USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=22 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: A2057 GLN :FLIP amide:sc=-0.00326 F(o=-1.5,f=-0.41) USER MOD Set 1.2: A2061 GLN :FLIP amide:sc= -0.406 F(o=-0.91,f=-0.41) USER MOD Single : A2058 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.095) USER MOD Single : A2059 GLN : amide:sc= -0.909 K(o=-0.91,f=-5.4!) USER MOD Single : A2060 GLN :FLIP amide:sc= -1.55 F(o=-2.2,f=-1.5) USER MOD Single : A2062 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A2065 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A2071 THR OG1 : rot 180:sc= -0.463 USER MOD Single : A2073 THR OG1 : rot 77:sc= 0.523 USER MOD Single : A2077 HIS : no HE2:sc= -7.79! C(o=-7.8!,f=-9.9!) USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A2079 THR OG1 : rot -170:sc= -0.249 USER MOD Single : A2082 SER OG : rot -47:sc= 0.139 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot 180:sc= -0.0126 USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2096 SER OG : rot 180:sc= 0 USER MOD Single : A2098 THR OG1 : rot 180:sc= 0.653 USER MOD Single : A2104 ASN : amide:sc= -0.777 K(o=-0.78,f=-3.4!) USER MOD Single : A2105 THR OG1 : rot 71:sc= 0.427 USER MOD Single : A2107 THR OG1 : rot -68:sc= 0.894 USER MOD Single : A2108 HIS : no HD1:sc= -0.0447 X(o=-0.045,f=0) USER MOD Single : A2109 ASN : amide:sc= 1 K(o=1,f=-0.0075) USER MOD Single : A2110 THR OG1 : rot -90:sc= 0.237 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.56 USER MOD Single : A2122 HIS : no HD1:sc= -0.576 K(o=-0.58,f=-1.5) USER MOD Single : A2124 THR OG1 : rot 180:sc= 0.178 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2129 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A2130 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A2131 HIS : no HD1:sc= -0.095 X(o=-0.095,f=0) USER MOD Single : A2133 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-2.1) USER MOD Single : A2134 THR OG1 : rot 71:sc= 0.96 USER MOD Single : A2137 THR OG1 : rot -82:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 150 N PRO A2056 -14.231 -6.287 4.842 1.00 0.67 N ATOM 151 CA PRO A2056 -13.146 -5.337 5.103 1.00 0.61 C ATOM 152 C PRO A2056 -11.756 -5.961 5.089 1.00 0.54 C ATOM 153 O PRO A2056 -10.873 -5.488 4.376 1.00 0.50 O ATOM 154 CB PRO A2056 -13.491 -4.814 6.485 1.00 0.71 C ATOM 155 CG PRO A2056 -14.973 -4.795 6.483 1.00 0.86 C ATOM 156 CD PRO A2056 -15.404 -6.000 5.691 1.00 0.81 C ATOM 0 HA PRO A2056 -13.087 -4.573 4.328 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -13.098 -5.461 7.269 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -13.076 -3.820 6.654 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -15.365 -4.836 7.499 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -15.351 -3.877 6.033 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -15.646 -6.842 6.340 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -16.292 -5.792 5.093 1.00 0.81 H new ATOM 164 N GLN A2057 -11.573 -7.031 5.851 1.00 0.58 N ATOM 165 CA GLN A2057 -10.275 -7.681 5.960 1.00 0.60 C ATOM 166 C GLN A2057 -9.826 -8.257 4.614 1.00 0.57 C ATOM 167 O GLN A2057 -8.635 -8.254 4.296 1.00 0.57 O ATOM 168 CB GLN A2057 -10.335 -8.778 7.019 1.00 0.71 C ATOM 169 CG GLN A2057 -8.986 -9.390 7.337 1.00 0.83 C ATOM 170 CD GLN A2057 -9.061 -10.447 8.421 1.00 1.19 C ATOM 171 OE1 GLN A2057 -9.996 -10.291 9.344 1.00 1.63 O flip ATOM 172 NE2 GLN A2057 -8.276 -11.398 8.433 1.00 1.95 N flip ATOM 0 H GLN A2057 -12.310 -7.468 6.404 1.00 0.58 H new ATOM 0 HA GLN A2057 -9.540 -6.934 6.259 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -10.762 -8.366 7.933 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -11.010 -9.564 6.678 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -8.571 -9.833 6.432 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -8.300 -8.603 7.650 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -7.568 -11.484 7.704 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -8.335 -12.098 9.172 1.00 1.95 H new ATOM 181 N GLN A2058 -10.780 -8.734 3.822 1.00 0.59 N ATOM 182 CA GLN A2058 -10.480 -9.251 2.490 1.00 0.64 C ATOM 183 C GLN A2058 -10.011 -8.121 1.587 1.00 0.57 C ATOM 184 O GLN A2058 -9.060 -8.274 0.818 1.00 0.59 O ATOM 185 CB GLN A2058 -11.710 -9.921 1.878 1.00 0.75 C ATOM 186 CG GLN A2058 -12.199 -11.133 2.648 1.00 0.83 C ATOM 187 CD GLN A2058 -11.157 -12.230 2.735 1.00 0.99 C ATOM 188 OE1 GLN A2058 -11.076 -13.094 1.863 1.00 1.44 O ATOM 189 NE2 GLN A2058 -10.366 -12.217 3.795 1.00 1.60 N ATOM 0 H GLN A2058 -11.767 -8.774 4.078 1.00 0.59 H new ATOM 0 HA GLN A2058 -9.688 -9.994 2.582 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -12.517 -9.191 1.819 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -11.477 -10.222 0.857 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -12.484 -10.828 3.655 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -13.095 -11.526 2.168 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -10.465 -11.483 4.496 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -9.657 -12.941 3.911 1.00 1.60 H new ATOM 198 N GLN A2059 -10.687 -6.980 1.694 1.00 0.54 N ATOM 199 CA GLN A2059 -10.297 -5.785 0.956 1.00 0.52 C ATOM 200 C GLN A2059 -8.886 -5.384 1.345 1.00 0.47 C ATOM 201 O GLN A2059 -8.077 -5.005 0.500 1.00 0.49 O ATOM 202 CB GLN A2059 -11.246 -4.630 1.261 1.00 0.57 C ATOM 203 CG GLN A2059 -12.708 -4.961 1.057 1.00 0.72 C ATOM 204 CD GLN A2059 -13.603 -3.786 1.375 1.00 1.02 C ATOM 205 OE1 GLN A2059 -13.981 -3.569 2.526 1.00 1.50 O ATOM 206 NE2 GLN A2059 -13.963 -3.036 0.352 1.00 1.19 N ATOM 0 H GLN A2059 -11.509 -6.859 2.286 1.00 0.54 H new ATOM 0 HA GLN A2059 -10.342 -6.008 -0.110 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -11.097 -4.314 2.294 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -10.985 -3.782 0.628 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.869 -5.271 0.024 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -12.980 -5.806 1.689 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -13.624 -3.255 -0.585 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -14.580 -2.237 0.498 1.00 1.19 H new ATOM 215 N GLN A2060 -8.605 -5.473 2.640 1.00 0.44 N ATOM 216 CA GLN A2060 -7.285 -5.160 3.156 1.00 0.42 C ATOM 217 C GLN A2060 -6.243 -6.052 2.528 1.00 0.39 C ATOM 218 O GLN A2060 -5.332 -5.563 1.903 1.00 0.37 O ATOM 219 CB GLN A2060 -7.238 -5.325 4.674 1.00 0.45 C ATOM 220 CG GLN A2060 -8.298 -4.535 5.406 1.00 0.50 C ATOM 221 CD GLN A2060 -8.359 -4.849 6.888 1.00 0.60 C ATOM 222 OE1 GLN A2060 -7.243 -5.267 7.456 1.00 0.78 O flip ATOM 223 NE2 GLN A2060 -9.413 -4.729 7.515 1.00 0.95 N flip ATOM 0 H GLN A2060 -9.278 -5.760 3.350 1.00 0.44 H new ATOM 0 HA GLN A2060 -7.072 -4.121 2.904 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.351 -6.381 4.919 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -6.256 -5.018 5.033 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -8.105 -3.470 5.274 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -9.270 -4.740 4.957 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -10.255 -4.403 7.040 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -9.444 -4.956 8.509 1.00 0.95 H new ATOM 232 N GLN A2061 -6.389 -7.358 2.694 1.00 0.41 N ATOM 233 CA GLN A2061 -5.453 -8.318 2.112 1.00 0.42 C ATOM 234 C GLN A2061 -5.256 -8.087 0.621 1.00 0.43 C ATOM 235 O GLN A2061 -4.169 -8.296 0.084 1.00 0.41 O ATOM 236 CB GLN A2061 -5.952 -9.722 2.353 1.00 0.51 C ATOM 237 CG GLN A2061 -5.914 -10.098 3.815 1.00 0.56 C ATOM 238 CD GLN A2061 -6.557 -11.437 4.099 1.00 0.67 C ATOM 239 OE1 GLN A2061 -7.069 -11.597 5.308 1.00 1.03 O flip ATOM 240 NE2 GLN A2061 -6.583 -12.326 3.245 1.00 1.32 N flip ATOM 0 H GLN A2061 -7.148 -7.782 3.228 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.487 -8.178 2.597 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -6.973 -9.811 1.983 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -5.344 -10.425 1.783 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -4.878 -10.120 4.152 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.421 -9.327 4.396 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -6.176 -12.161 2.324 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -7.011 -13.227 3.459 1.00 1.32 H new ATOM 249 N THR A2062 -6.316 -7.665 -0.037 1.00 0.49 N ATOM 250 CA THR A2062 -6.238 -7.259 -1.433 1.00 0.55 C ATOM 251 C THR A2062 -5.219 -6.133 -1.624 1.00 0.49 C ATOM 252 O THR A2062 -4.284 -6.252 -2.417 1.00 0.48 O ATOM 253 CB THR A2062 -7.599 -6.775 -1.949 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.572 -7.827 -1.844 1.00 0.73 O ATOM 255 CG2 THR A2062 -7.479 -6.321 -3.397 1.00 0.77 C ATOM 0 H THR A2062 -7.248 -7.593 0.371 1.00 0.49 H new ATOM 0 HA THR A2062 -5.925 -8.137 -1.999 1.00 0.55 H new ATOM 0 HB THR A2062 -7.924 -5.932 -1.340 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.808 -7.961 -0.902 1.00 0.73 H new ATOM 0 HG21 THR A2062 -8.451 -5.980 -3.753 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.761 -5.504 -3.464 1.00 0.77 H new ATOM 0 HG23 THR A2062 -7.139 -7.154 -4.013 1.00 0.77 H new ATOM 263 N LEU A2063 -5.386 -5.053 -0.868 1.00 0.50 N ATOM 264 CA LEU A2063 -4.537 -3.890 -1.002 1.00 0.53 C ATOM 265 C LEU A2063 -3.217 -4.148 -0.295 1.00 0.44 C ATOM 266 O LEU A2063 -2.216 -3.487 -0.534 1.00 0.47 O ATOM 267 CB LEU A2063 -5.255 -2.667 -0.432 1.00 0.69 C ATOM 268 CG LEU A2063 -5.579 -2.695 1.061 1.00 0.64 C ATOM 269 CD1 LEU A2063 -4.445 -2.091 1.867 1.00 1.32 C ATOM 270 CD2 LEU A2063 -6.881 -1.959 1.333 1.00 1.22 C ATOM 0 H LEU A2063 -6.109 -4.966 -0.153 1.00 0.50 H new ATOM 0 HA LEU A2063 -4.325 -3.694 -2.053 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -4.641 -1.789 -0.630 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -6.188 -2.534 -0.980 1.00 0.69 H new ATOM 0 HG LEU A2063 -5.698 -3.734 1.369 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -4.696 -2.121 2.927 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -3.532 -2.661 1.694 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -4.291 -1.057 1.560 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -7.099 -1.987 2.401 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -6.788 -0.922 1.009 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -7.692 -2.439 0.785 1.00 1.22 H new ATOM 282 N ALA A2064 -3.256 -5.133 0.571 1.00 0.39 N ATOM 283 CA ALA A2064 -2.092 -5.630 1.273 1.00 0.38 C ATOM 284 C ALA A2064 -1.153 -6.269 0.268 1.00 0.37 C ATOM 285 O ALA A2064 0.061 -6.067 0.286 1.00 0.51 O ATOM 286 CB ALA A2064 -2.529 -6.649 2.312 1.00 0.38 C ATOM 0 H ALA A2064 -4.117 -5.624 0.814 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.577 -4.814 1.779 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.655 -7.025 2.843 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -3.209 -6.177 3.021 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -3.038 -7.477 1.818 1.00 0.38 H new ATOM 292 N THR A2065 -1.761 -7.047 -0.614 1.00 0.28 N ATOM 293 CA THR A2065 -1.085 -7.634 -1.750 1.00 0.28 C ATOM 294 C THR A2065 -0.552 -6.536 -2.670 1.00 0.27 C ATOM 295 O THR A2065 0.555 -6.636 -3.200 1.00 0.25 O ATOM 296 CB THR A2065 -2.063 -8.538 -2.518 1.00 0.36 C ATOM 297 OG1 THR A2065 -2.521 -9.594 -1.658 1.00 0.40 O ATOM 298 CG2 THR A2065 -1.421 -9.129 -3.765 1.00 0.41 C ATOM 0 H THR A2065 -2.750 -7.289 -0.556 1.00 0.28 H new ATOM 0 HA THR A2065 -0.244 -8.231 -1.398 1.00 0.28 H new ATOM 0 HB THR A2065 -2.907 -7.927 -2.836 1.00 0.36 H new ATOM 0 HG1 THR A2065 -3.129 -9.226 -0.983 1.00 0.40 H new ATOM 0 HG21 THR A2065 -2.143 -9.762 -4.281 1.00 0.41 H new ATOM 0 HG22 THR A2065 -1.105 -8.324 -4.428 1.00 0.41 H new ATOM 0 HG23 THR A2065 -0.554 -9.725 -3.480 1.00 0.41 H new ATOM 306 N LEU A2066 -1.351 -5.482 -2.829 1.00 0.29 N ATOM 307 CA LEU A2066 -0.958 -4.314 -3.601 1.00 0.28 C ATOM 308 C LEU A2066 0.312 -3.727 -3.000 1.00 0.23 C ATOM 309 O LEU A2066 1.326 -3.579 -3.678 1.00 0.22 O ATOM 310 CB LEU A2066 -2.081 -3.278 -3.541 1.00 0.32 C ATOM 311 CG LEU A2066 -2.137 -2.228 -4.655 1.00 0.57 C ATOM 312 CD1 LEU A2066 -2.605 -0.905 -4.076 1.00 0.92 C ATOM 313 CD2 LEU A2066 -0.805 -2.056 -5.373 1.00 1.35 C ATOM 0 H LEU A2066 -2.286 -5.418 -2.426 1.00 0.29 H new ATOM 0 HA LEU A2066 -0.774 -4.593 -4.638 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -3.031 -3.812 -3.535 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -2.004 -2.754 -2.589 1.00 0.32 H new ATOM 0 HG LEU A2066 -2.846 -2.580 -5.404 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -2.646 -0.156 -4.867 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -3.597 -1.029 -3.642 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -1.909 -0.579 -3.303 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -0.906 -1.300 -6.151 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -0.044 -1.742 -4.658 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -0.510 -3.003 -5.824 1.00 1.35 H new ATOM 325 N VAL A2067 0.233 -3.417 -1.713 1.00 0.21 N ATOM 326 CA VAL A2067 1.344 -2.839 -0.977 1.00 0.18 C ATOM 327 C VAL A2067 2.614 -3.667 -1.151 1.00 0.16 C ATOM 328 O VAL A2067 3.693 -3.140 -1.441 1.00 0.17 O ATOM 329 CB VAL A2067 1.015 -2.743 0.527 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.236 -2.330 1.330 1.00 0.20 C ATOM 331 CG2 VAL A2067 -0.123 -1.767 0.770 1.00 0.22 C ATOM 0 H VAL A2067 -0.606 -3.560 -1.151 1.00 0.21 H new ATOM 0 HA VAL A2067 1.510 -1.840 -1.380 1.00 0.18 H new ATOM 0 HB VAL A2067 0.704 -3.733 0.860 1.00 0.19 H new ATOM 0 HG11 VAL A2067 1.974 -2.271 2.386 1.00 0.20 H new ATOM 0 HG12 VAL A2067 3.028 -3.067 1.193 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.584 -1.356 0.987 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.337 -1.716 1.838 1.00 0.22 H new ATOM 0 HG22 VAL A2067 0.162 -0.779 0.410 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -1.012 -2.105 0.237 1.00 0.22 H new ATOM 341 N ALA A2068 2.467 -4.969 -0.983 1.00 0.15 N ATOM 342 CA ALA A2068 3.584 -5.891 -1.058 1.00 0.15 C ATOM 343 C ALA A2068 4.178 -5.940 -2.464 1.00 0.14 C ATOM 344 O ALA A2068 5.390 -5.818 -2.634 1.00 0.13 O ATOM 345 CB ALA A2068 3.134 -7.268 -0.605 1.00 0.17 C ATOM 0 H ALA A2068 1.570 -5.416 -0.791 1.00 0.15 H new ATOM 0 HA ALA A2068 4.373 -5.538 -0.394 1.00 0.15 H new ATOM 0 HB1 ALA A2068 3.973 -7.962 -0.661 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.776 -7.214 0.423 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.329 -7.619 -1.251 1.00 0.17 H new ATOM 351 N ALA A2069 3.321 -6.107 -3.464 1.00 0.17 N ATOM 352 CA ALA A2069 3.754 -6.151 -4.853 1.00 0.18 C ATOM 353 C ALA A2069 4.377 -4.819 -5.266 1.00 0.19 C ATOM 354 O ALA A2069 5.267 -4.767 -6.122 1.00 0.21 O ATOM 355 CB ALA A2069 2.584 -6.490 -5.762 1.00 0.23 C ATOM 0 H ALA A2069 2.315 -6.215 -3.336 1.00 0.17 H new ATOM 0 HA ALA A2069 4.510 -6.930 -4.951 1.00 0.18 H new ATOM 0 HB1 ALA A2069 2.924 -6.519 -6.797 1.00 0.23 H new ATOM 0 HB2 ALA A2069 2.179 -7.463 -5.486 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.809 -5.731 -5.656 1.00 0.23 H new ATOM 361 N ALA A2070 3.911 -3.748 -4.633 1.00 0.19 N ATOM 362 CA ALA A2070 4.404 -2.413 -4.910 1.00 0.21 C ATOM 363 C ALA A2070 5.860 -2.291 -4.511 1.00 0.20 C ATOM 364 O ALA A2070 6.682 -1.782 -5.277 1.00 0.23 O ATOM 365 CB ALA A2070 3.572 -1.373 -4.180 1.00 0.24 C ATOM 0 H ALA A2070 3.185 -3.785 -3.918 1.00 0.19 H new ATOM 0 HA ALA A2070 4.320 -2.235 -5.982 1.00 0.21 H new ATOM 0 HB1 ALA A2070 3.958 -0.378 -4.401 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.535 -1.441 -4.508 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.625 -1.553 -3.106 1.00 0.24 H new ATOM 371 N THR A2071 6.193 -2.779 -3.323 1.00 0.18 N ATOM 372 CA THR A2071 7.547 -2.631 -2.832 1.00 0.21 C ATOM 373 C THR A2071 8.419 -3.766 -3.331 1.00 0.21 C ATOM 374 O THR A2071 9.621 -3.613 -3.479 1.00 0.27 O ATOM 375 CB THR A2071 7.600 -2.485 -1.305 1.00 0.22 C ATOM 376 OG1 THR A2071 8.926 -2.193 -0.873 1.00 0.28 O ATOM 377 CG2 THR A2071 7.105 -3.724 -0.608 1.00 0.23 C ATOM 0 H THR A2071 5.555 -3.270 -2.696 1.00 0.18 H new ATOM 0 HA THR A2071 7.948 -1.700 -3.234 1.00 0.21 H new ATOM 0 HB THR A2071 6.942 -1.658 -1.040 1.00 0.22 H new ATOM 0 HG1 THR A2071 8.940 -2.102 0.103 1.00 0.28 H new ATOM 0 HG21 THR A2071 7.159 -3.580 0.471 1.00 0.23 H new ATOM 0 HG22 THR A2071 6.072 -3.916 -0.898 1.00 0.23 H new ATOM 0 HG23 THR A2071 7.726 -4.574 -0.892 1.00 0.23 H new ATOM 385 N ALA A2072 7.799 -4.891 -3.639 1.00 0.18 N ATOM 386 CA ALA A2072 8.463 -5.943 -4.389 1.00 0.22 C ATOM 387 C ALA A2072 9.132 -5.337 -5.611 1.00 0.26 C ATOM 388 O ALA A2072 10.318 -5.553 -5.859 1.00 0.31 O ATOM 389 CB ALA A2072 7.434 -6.976 -4.801 1.00 0.22 C ATOM 0 H ALA A2072 6.835 -5.100 -3.381 1.00 0.18 H new ATOM 0 HA ALA A2072 9.224 -6.426 -3.776 1.00 0.22 H new ATOM 0 HB1 ALA A2072 7.922 -7.771 -5.365 1.00 0.22 H new ATOM 0 HB2 ALA A2072 6.965 -7.397 -3.912 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.673 -6.504 -5.423 1.00 0.22 H new ATOM 395 N THR A2073 8.369 -4.539 -6.339 1.00 0.27 N ATOM 396 CA THR A2073 8.880 -3.820 -7.484 1.00 0.34 C ATOM 397 C THR A2073 9.883 -2.745 -7.054 1.00 0.37 C ATOM 398 O THR A2073 10.987 -2.660 -7.590 1.00 0.43 O ATOM 399 CB THR A2073 7.722 -3.162 -8.256 1.00 0.38 C ATOM 400 OG1 THR A2073 6.755 -4.157 -8.629 1.00 0.40 O ATOM 401 CG2 THR A2073 8.234 -2.450 -9.493 1.00 0.46 C ATOM 0 H THR A2073 7.380 -4.374 -6.150 1.00 0.27 H new ATOM 0 HA THR A2073 9.390 -4.534 -8.130 1.00 0.34 H new ATOM 0 HB THR A2073 7.250 -2.425 -7.606 1.00 0.38 H new ATOM 0 HG1 THR A2073 6.215 -4.397 -7.848 1.00 0.40 H new ATOM 0 HG21 THR A2073 7.398 -1.993 -10.022 1.00 0.46 H new ATOM 0 HG22 THR A2073 8.944 -1.677 -9.200 1.00 0.46 H new ATOM 0 HG23 THR A2073 8.729 -3.168 -10.147 1.00 0.46 H new ATOM 409 N VAL A2074 9.492 -1.944 -6.069 1.00 0.36 N ATOM 410 CA VAL A2074 10.275 -0.820 -5.603 1.00 0.41 C ATOM 411 C VAL A2074 11.671 -1.216 -5.078 1.00 0.47 C ATOM 412 O VAL A2074 12.651 -0.523 -5.352 1.00 0.56 O ATOM 413 CB VAL A2074 9.447 -0.085 -4.532 1.00 0.38 C ATOM 414 CG1 VAL A2074 10.163 0.038 -3.203 1.00 0.38 C ATOM 415 CG2 VAL A2074 8.997 1.262 -5.040 1.00 0.37 C ATOM 0 H VAL A2074 8.611 -2.064 -5.570 1.00 0.36 H new ATOM 0 HA VAL A2074 10.481 -0.162 -6.447 1.00 0.41 H new ATOM 0 HB VAL A2074 8.567 -0.699 -4.341 1.00 0.38 H new ATOM 0 HG11 VAL A2074 9.525 0.565 -2.494 1.00 0.38 H new ATOM 0 HG12 VAL A2074 10.389 -0.956 -2.818 1.00 0.38 H new ATOM 0 HG13 VAL A2074 11.091 0.594 -3.340 1.00 0.38 H new ATOM 0 HG21 VAL A2074 8.414 1.765 -4.269 1.00 0.37 H new ATOM 0 HG22 VAL A2074 9.869 1.867 -5.288 1.00 0.37 H new ATOM 0 HG23 VAL A2074 8.383 1.128 -5.930 1.00 0.37 H new ATOM 425 N LEU A2075 11.773 -2.324 -4.338 1.00 0.43 N ATOM 426 CA LEU A2075 13.057 -2.754 -3.795 1.00 0.52 C ATOM 427 C LEU A2075 13.868 -3.475 -4.864 1.00 0.60 C ATOM 428 O LEU A2075 15.073 -3.667 -4.718 1.00 0.74 O ATOM 429 CB LEU A2075 12.853 -3.679 -2.593 1.00 0.49 C ATOM 430 CG LEU A2075 11.694 -3.302 -1.669 1.00 0.44 C ATOM 431 CD1 LEU A2075 11.380 -4.430 -0.703 1.00 0.46 C ATOM 432 CD2 LEU A2075 11.991 -2.020 -0.909 1.00 0.52 C ATOM 0 H LEU A2075 10.988 -2.932 -4.105 1.00 0.43 H new ATOM 0 HA LEU A2075 13.601 -1.868 -3.468 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.690 -4.693 -2.959 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.772 -3.696 -2.008 1.00 0.49 H new ATOM 0 HG LEU A2075 10.818 -3.131 -2.294 1.00 0.44 H new ATOM 0 HD11 LEU A2075 10.552 -4.136 -0.057 1.00 0.46 H new ATOM 0 HD12 LEU A2075 11.104 -5.323 -1.264 1.00 0.46 H new ATOM 0 HD13 LEU A2075 12.258 -4.642 -0.093 1.00 0.46 H new ATOM 0 HD21 LEU A2075 11.149 -1.778 -0.261 1.00 0.52 H new ATOM 0 HD22 LEU A2075 12.888 -2.155 -0.304 1.00 0.52 H new ATOM 0 HD23 LEU A2075 12.150 -1.206 -1.616 1.00 0.52 H new ATOM 444 N GLY A2076 13.194 -3.887 -5.929 1.00 0.57 N ATOM 445 CA GLY A2076 13.875 -4.519 -7.040 1.00 0.67 C ATOM 446 C GLY A2076 13.872 -6.034 -6.966 1.00 0.65 C ATOM 447 O GLY A2076 14.764 -6.681 -7.515 1.00 0.93 O ATOM 0 H GLY A2076 12.185 -3.794 -6.043 1.00 0.57 H new ATOM 0 HA2 GLY A2076 13.402 -4.207 -7.971 1.00 0.67 H new ATOM 0 HA3 GLY A2076 14.906 -4.166 -7.073 1.00 0.67 H new ATOM 451 N HIS A2077 12.870 -6.613 -6.309 1.00 0.51 N ATOM 452 CA HIS A2077 12.822 -8.065 -6.159 1.00 0.66 C ATOM 453 C HIS A2077 11.540 -8.654 -6.750 1.00 0.68 C ATOM 454 O HIS A2077 11.311 -9.861 -6.687 1.00 0.97 O ATOM 455 CB HIS A2077 13.023 -8.472 -4.690 1.00 0.81 C ATOM 456 CG HIS A2077 11.884 -8.229 -3.763 1.00 0.50 C ATOM 457 ND1 HIS A2077 11.189 -9.247 -3.161 1.00 0.54 N ATOM 458 CD2 HIS A2077 11.391 -7.086 -3.252 1.00 0.74 C ATOM 459 CE1 HIS A2077 10.322 -8.738 -2.315 1.00 0.61 C ATOM 460 NE2 HIS A2077 10.424 -7.424 -2.345 1.00 0.80 N ATOM 0 H HIS A2077 12.094 -6.110 -5.879 1.00 0.51 H new ATOM 0 HA HIS A2077 13.649 -8.487 -6.731 1.00 0.66 H new ATOM 0 HB2 HIS A2077 13.263 -9.535 -4.662 1.00 0.81 H new ATOM 0 HB3 HIS A2077 13.893 -7.939 -4.306 1.00 0.81 H new ATOM 0 HD1 HIS A2077 11.324 -10.242 -3.342 1.00 0.54 H new ATOM 0 HD2 HIS A2077 11.702 -6.085 -3.511 1.00 0.74 H new ATOM 0 HE1 HIS A2077 9.639 -9.302 -1.697 1.00 0.61 H new ATOM 469 N HIS A2078 10.716 -7.773 -7.312 1.00 0.62 N ATOM 470 CA HIS A2078 9.563 -8.134 -8.151 1.00 0.69 C ATOM 471 C HIS A2078 8.415 -8.839 -7.424 1.00 0.80 C ATOM 472 O HIS A2078 7.273 -8.397 -7.531 1.00 1.56 O ATOM 473 CB HIS A2078 9.993 -8.952 -9.361 1.00 0.81 C ATOM 474 CG HIS A2078 10.672 -8.123 -10.406 1.00 0.88 C ATOM 475 ND1 HIS A2078 10.001 -7.199 -11.174 1.00 0.93 N ATOM 476 CD2 HIS A2078 11.970 -8.046 -10.779 1.00 0.96 C ATOM 477 CE1 HIS A2078 10.853 -6.588 -11.971 1.00 1.03 C ATOM 478 NE2 HIS A2078 12.057 -7.083 -11.754 1.00 1.05 N ATOM 0 H HIS A2078 10.829 -6.766 -7.198 1.00 0.62 H new ATOM 0 HA HIS A2078 9.159 -7.173 -8.471 1.00 0.69 H new ATOM 0 HB2 HIS A2078 10.667 -9.745 -9.037 1.00 0.81 H new ATOM 0 HB3 HIS A2078 9.119 -9.435 -9.797 1.00 0.81 H new ATOM 0 HD2 HIS A2078 12.786 -8.633 -10.384 1.00 0.96 H new ATOM 0 HE1 HIS A2078 10.608 -5.813 -12.682 1.00 1.03 H new ATOM 0 HE2 HIS A2078 12.912 -6.797 -12.232 1.00 1.05 H new ATOM 487 N THR A2079 8.671 -9.931 -6.719 1.00 0.64 N ATOM 488 CA THR A2079 7.568 -10.652 -6.103 1.00 0.67 C ATOM 489 C THR A2079 7.299 -10.181 -4.682 1.00 0.44 C ATOM 490 O THR A2079 8.209 -9.846 -3.927 1.00 0.54 O ATOM 491 CB THR A2079 7.747 -12.184 -6.091 1.00 1.02 C ATOM 492 OG1 THR A2079 6.711 -12.830 -5.341 1.00 1.82 O ATOM 493 CG2 THR A2079 9.064 -12.542 -5.486 1.00 0.59 C ATOM 0 H THR A2079 9.598 -10.326 -6.562 1.00 0.64 H new ATOM 0 HA THR A2079 6.713 -10.422 -6.739 1.00 0.67 H new ATOM 0 HB THR A2079 7.699 -12.524 -7.126 1.00 1.02 H new ATOM 0 HG1 THR A2079 6.937 -13.776 -5.219 1.00 1.82 H new ATOM 0 HG21 THR A2079 9.180 -13.626 -5.482 1.00 0.59 H new ATOM 0 HG22 THR A2079 9.867 -12.093 -6.070 1.00 0.59 H new ATOM 0 HG23 THR A2079 9.108 -12.169 -4.463 1.00 0.59 H new ATOM 501 N PRO A2080 6.023 -10.182 -4.313 1.00 0.29 N ATOM 502 CA PRO A2080 5.529 -9.751 -3.010 1.00 0.32 C ATOM 503 C PRO A2080 5.604 -10.872 -1.981 1.00 0.45 C ATOM 504 O PRO A2080 5.273 -10.686 -0.812 1.00 0.51 O ATOM 505 CB PRO A2080 4.058 -9.401 -3.291 1.00 0.39 C ATOM 506 CG PRO A2080 3.824 -9.718 -4.736 1.00 0.39 C ATOM 507 CD PRO A2080 4.933 -10.637 -5.150 1.00 0.32 C ATOM 0 HA PRO A2080 6.112 -8.927 -2.599 1.00 0.32 H new ATOM 0 HB2 PRO A2080 3.391 -9.980 -2.652 1.00 0.39 H new ATOM 0 HB3 PRO A2080 3.862 -8.349 -3.086 1.00 0.39 H new ATOM 0 HG2 PRO A2080 2.853 -10.192 -4.878 1.00 0.39 H new ATOM 0 HG3 PRO A2080 3.826 -8.810 -5.339 1.00 0.39 H new ATOM 0 HD2 PRO A2080 4.687 -11.683 -4.968 1.00 0.32 H new ATOM 0 HD3 PRO A2080 5.166 -10.545 -6.211 1.00 0.32 H new ATOM 515 N GLU A2081 6.060 -12.029 -2.435 1.00 0.53 N ATOM 516 CA GLU A2081 6.095 -13.234 -1.618 1.00 0.64 C ATOM 517 C GLU A2081 7.113 -13.116 -0.485 1.00 0.56 C ATOM 518 O GLU A2081 7.135 -13.935 0.432 1.00 0.70 O ATOM 519 CB GLU A2081 6.439 -14.432 -2.503 1.00 0.84 C ATOM 520 CG GLU A2081 7.912 -14.534 -2.854 1.00 0.93 C ATOM 521 CD GLU A2081 8.193 -15.676 -3.799 1.00 1.28 C ATOM 522 OE1 GLU A2081 7.786 -15.586 -4.976 1.00 1.54 O ATOM 523 OE2 GLU A2081 8.822 -16.665 -3.375 1.00 1.45 O ATOM 0 H GLU A2081 6.417 -12.160 -3.381 1.00 0.53 H new ATOM 0 HA GLU A2081 5.112 -13.371 -1.167 1.00 0.64 H new ATOM 0 HB2 GLU A2081 6.132 -15.346 -1.995 1.00 0.84 H new ATOM 0 HB3 GLU A2081 5.860 -14.369 -3.424 1.00 0.84 H new ATOM 0 HG2 GLU A2081 8.242 -13.599 -3.308 1.00 0.93 H new ATOM 0 HG3 GLU A2081 8.493 -14.668 -1.942 1.00 0.93 H new ATOM 530 N SER A2082 7.948 -12.091 -0.552 1.00 0.43 N ATOM 531 CA SER A2082 9.015 -11.914 0.418 1.00 0.43 C ATOM 532 C SER A2082 8.833 -10.603 1.182 1.00 0.33 C ATOM 533 O SER A2082 9.781 -10.051 1.742 1.00 0.38 O ATOM 534 CB SER A2082 10.367 -11.945 -0.295 1.00 0.54 C ATOM 535 OG SER A2082 11.433 -12.162 0.616 1.00 0.63 O ATOM 0 H SER A2082 7.906 -11.368 -1.270 1.00 0.43 H new ATOM 0 HA SER A2082 8.980 -12.729 1.140 1.00 0.43 H new ATOM 0 HB2 SER A2082 10.364 -12.734 -1.047 1.00 0.54 H new ATOM 0 HB3 SER A2082 10.523 -11.003 -0.821 1.00 0.54 H new ATOM 0 HG SER A2082 11.332 -11.564 1.386 1.00 0.63 H new ATOM 541 N ILE A2083 7.606 -10.105 1.192 1.00 0.25 N ATOM 542 CA ILE A2083 7.293 -8.866 1.887 1.00 0.17 C ATOM 543 C ILE A2083 6.745 -9.161 3.276 1.00 0.15 C ATOM 544 O ILE A2083 5.612 -9.619 3.420 1.00 0.22 O ATOM 545 CB ILE A2083 6.265 -8.027 1.101 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.709 -7.870 -0.351 1.00 0.18 C ATOM 547 CG2 ILE A2083 6.084 -6.655 1.743 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.957 -7.041 -0.512 1.00 0.22 C ATOM 0 H ILE A2083 6.810 -10.540 0.726 1.00 0.25 H new ATOM 0 HA ILE A2083 8.217 -8.295 1.972 1.00 0.17 H new ATOM 0 HB ILE A2083 5.309 -8.549 1.125 1.00 0.13 H new ATOM 0 HG12 ILE A2083 6.881 -8.858 -0.779 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.902 -7.411 -0.922 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.355 -6.080 1.173 1.00 0.12 H new ATOM 0 HG22 ILE A2083 5.730 -6.776 2.767 1.00 0.12 H new ATOM 0 HG23 ILE A2083 7.038 -6.127 1.749 1.00 0.12 H new ATOM 0 HD11 ILE A2083 8.214 -6.972 -1.569 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.783 -6.041 -0.114 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.778 -7.510 0.031 1.00 0.22 H new ATOM 560 N SER A2084 7.560 -8.922 4.289 1.00 0.14 N ATOM 561 CA SER A2084 7.138 -9.110 5.666 1.00 0.14 C ATOM 562 C SER A2084 6.377 -7.878 6.156 1.00 0.12 C ATOM 563 O SER A2084 6.958 -6.803 6.299 1.00 0.12 O ATOM 564 CB SER A2084 8.360 -9.361 6.552 1.00 0.19 C ATOM 565 OG SER A2084 9.151 -10.422 6.040 1.00 0.28 O ATOM 0 H SER A2084 8.521 -8.596 4.183 1.00 0.14 H new ATOM 0 HA SER A2084 6.476 -9.974 5.720 1.00 0.14 H new ATOM 0 HB2 SER A2084 8.960 -8.453 6.615 1.00 0.19 H new ATOM 0 HB3 SER A2084 8.036 -9.600 7.565 1.00 0.19 H new ATOM 0 HG SER A2084 9.927 -10.562 6.622 1.00 0.28 H new ATOM 571 N PRO A2085 5.065 -8.017 6.417 1.00 0.12 N ATOM 572 CA PRO A2085 4.220 -6.895 6.833 1.00 0.12 C ATOM 573 C PRO A2085 4.611 -6.347 8.188 1.00 0.12 C ATOM 574 O PRO A2085 4.394 -5.173 8.483 1.00 0.13 O ATOM 575 CB PRO A2085 2.812 -7.483 6.903 1.00 0.15 C ATOM 576 CG PRO A2085 3.001 -8.960 6.997 1.00 0.15 C ATOM 577 CD PRO A2085 4.307 -9.275 6.321 1.00 0.14 C ATOM 0 HA PRO A2085 4.312 -6.061 6.138 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.270 -7.101 7.768 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.231 -7.217 6.020 1.00 0.15 H new ATOM 0 HG2 PRO A2085 3.017 -9.282 8.038 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.178 -9.487 6.513 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.827 -10.094 6.818 1.00 0.14 H new ATOM 0 HD3 PRO A2085 4.158 -9.574 5.283 1.00 0.14 H new ATOM 585 N ALA A2086 5.181 -7.211 9.007 1.00 0.11 N ATOM 586 CA ALA A2086 5.585 -6.829 10.344 1.00 0.12 C ATOM 587 C ALA A2086 6.879 -6.025 10.320 1.00 0.11 C ATOM 588 O ALA A2086 7.134 -5.216 11.213 1.00 0.14 O ATOM 589 CB ALA A2086 5.741 -8.061 11.218 1.00 0.14 C ATOM 0 H ALA A2086 5.374 -8.184 8.768 1.00 0.11 H new ATOM 0 HA ALA A2086 4.805 -6.195 10.765 1.00 0.12 H new ATOM 0 HB1 ALA A2086 6.045 -7.760 12.220 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.791 -8.592 11.271 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.500 -8.717 10.790 1.00 0.14 H new ATOM 595 N THR A2087 7.698 -6.253 9.302 1.00 0.10 N ATOM 596 CA THR A2087 8.919 -5.496 9.140 1.00 0.11 C ATOM 597 C THR A2087 8.595 -4.143 8.556 1.00 0.10 C ATOM 598 O THR A2087 7.675 -3.992 7.753 1.00 0.10 O ATOM 599 CB THR A2087 9.918 -6.195 8.207 1.00 0.14 C ATOM 600 OG1 THR A2087 10.160 -7.537 8.653 1.00 0.16 O ATOM 601 CG2 THR A2087 11.237 -5.428 8.120 1.00 0.16 C ATOM 0 H THR A2087 7.534 -6.956 8.581 1.00 0.10 H new ATOM 0 HA THR A2087 9.375 -5.404 10.126 1.00 0.11 H new ATOM 0 HB THR A2087 9.477 -6.220 7.210 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.797 -7.973 8.049 1.00 0.16 H new ATOM 0 HG21 THR A2087 11.919 -5.952 7.451 1.00 0.16 H new ATOM 0 HG22 THR A2087 11.050 -4.426 7.735 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.683 -5.358 9.112 1.00 0.16 H new ATOM 609 N ALA A2088 9.362 -3.175 8.957 1.00 0.12 N ATOM 610 CA ALA A2088 9.196 -1.829 8.477 1.00 0.12 C ATOM 611 C ALA A2088 9.865 -1.690 7.133 1.00 0.11 C ATOM 612 O ALA A2088 10.936 -2.249 6.897 1.00 0.12 O ATOM 613 CB ALA A2088 9.765 -0.836 9.466 1.00 0.15 C ATOM 0 H ALA A2088 10.122 -3.292 9.627 1.00 0.12 H new ATOM 0 HA ALA A2088 8.133 -1.616 8.368 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.630 0.176 9.084 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.248 -0.936 10.420 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.828 -1.031 9.607 1.00 0.15 H new ATOM 619 N PHE A2089 9.200 -0.954 6.254 1.00 0.10 N ATOM 620 CA PHE A2089 9.691 -0.705 4.902 1.00 0.09 C ATOM 621 C PHE A2089 11.156 -0.301 4.888 1.00 0.09 C ATOM 622 O PHE A2089 11.880 -0.629 3.953 1.00 0.12 O ATOM 623 CB PHE A2089 8.868 0.390 4.245 1.00 0.09 C ATOM 624 CG PHE A2089 7.569 -0.088 3.679 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.544 -0.924 2.574 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.372 0.301 4.246 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.346 -1.359 2.050 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.174 -0.132 3.725 1.00 0.12 C ATOM 629 CZ PHE A2089 5.159 -0.964 2.628 1.00 0.10 C ATOM 0 H PHE A2089 8.304 -0.511 6.456 1.00 0.10 H new ATOM 0 HA PHE A2089 9.593 -1.638 4.348 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.668 1.171 4.979 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.456 0.844 3.447 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.472 -1.238 2.119 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.376 0.952 5.108 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.337 -2.009 1.187 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.245 0.181 4.177 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.219 -1.306 2.221 1.00 0.10 H new ATOM 639 N LYS A2090 11.573 0.432 5.912 1.00 0.12 N ATOM 640 CA LYS A2090 12.964 0.778 6.097 1.00 0.16 C ATOM 641 C LYS A2090 13.844 -0.460 6.008 1.00 0.17 C ATOM 642 O LYS A2090 14.661 -0.592 5.096 1.00 0.20 O ATOM 643 CB LYS A2090 13.147 1.426 7.464 1.00 0.21 C ATOM 644 CG LYS A2090 14.594 1.663 7.828 1.00 0.29 C ATOM 645 CD LYS A2090 15.235 2.621 6.861 1.00 0.38 C ATOM 646 CE LYS A2090 16.250 1.916 5.990 1.00 1.54 C ATOM 647 NZ LYS A2090 16.944 2.847 5.063 1.00 1.69 N ATOM 0 H LYS A2090 10.953 0.800 6.633 1.00 0.12 H new ATOM 0 HA LYS A2090 13.256 1.473 5.310 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.616 2.378 7.481 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.689 0.792 8.223 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.659 2.062 8.840 1.00 0.29 H new ATOM 0 HG3 LYS A2090 15.135 0.717 7.823 1.00 0.29 H new ATOM 0 HD2 LYS A2090 14.469 3.078 6.235 1.00 0.38 H new ATOM 0 HD3 LYS A2090 15.720 3.427 7.411 1.00 0.38 H new ATOM 0 HE2 LYS A2090 16.987 1.421 6.623 1.00 1.54 H new ATOM 0 HE3 LYS A2090 15.751 1.137 5.413 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 17.629 2.317 4.488 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 16.246 3.301 4.440 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 17.443 3.576 5.612 1.00 1.69 H new ATOM 661 N ASP A2091 13.661 -1.362 6.962 1.00 0.17 N ATOM 662 CA ASP A2091 14.448 -2.589 7.024 1.00 0.20 C ATOM 663 C ASP A2091 14.254 -3.439 5.767 1.00 0.20 C ATOM 664 O ASP A2091 15.115 -4.238 5.400 1.00 0.32 O ATOM 665 CB ASP A2091 14.093 -3.401 8.271 1.00 0.24 C ATOM 666 CG ASP A2091 14.986 -4.614 8.442 1.00 1.23 C ATOM 667 OD1 ASP A2091 14.506 -5.749 8.234 1.00 2.27 O ATOM 668 OD2 ASP A2091 16.177 -4.441 8.778 1.00 1.15 O ATOM 0 H ASP A2091 12.971 -1.268 7.708 1.00 0.17 H new ATOM 0 HA ASP A2091 15.498 -2.302 7.081 1.00 0.20 H new ATOM 0 HB2 ASP A2091 14.176 -2.765 9.152 1.00 0.24 H new ATOM 0 HB3 ASP A2091 13.054 -3.724 8.208 1.00 0.24 H new ATOM 673 N LEU A2092 13.117 -3.254 5.110 1.00 0.16 N ATOM 674 CA LEU A2092 12.807 -3.962 3.877 1.00 0.18 C ATOM 675 C LEU A2092 13.567 -3.385 2.681 1.00 0.19 C ATOM 676 O LEU A2092 13.642 -4.013 1.627 1.00 0.24 O ATOM 677 CB LEU A2092 11.300 -3.923 3.639 1.00 0.17 C ATOM 678 CG LEU A2092 10.495 -4.666 4.702 1.00 0.19 C ATOM 679 CD1 LEU A2092 9.011 -4.402 4.569 1.00 0.18 C ATOM 680 CD2 LEU A2092 10.773 -6.150 4.615 1.00 0.23 C ATOM 0 H LEU A2092 12.386 -2.611 5.416 1.00 0.16 H new ATOM 0 HA LEU A2092 13.130 -4.998 3.982 1.00 0.18 H new ATOM 0 HB2 LEU A2092 10.972 -2.884 3.607 1.00 0.17 H new ATOM 0 HB3 LEU A2092 11.083 -4.356 2.662 1.00 0.17 H new ATOM 0 HG LEU A2092 10.808 -4.295 5.678 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.473 -4.949 5.344 1.00 0.18 H new ATOM 0 HD12 LEU A2092 8.820 -3.335 4.679 1.00 0.18 H new ATOM 0 HD13 LEU A2092 8.669 -4.732 3.588 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.195 -6.674 5.377 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.489 -6.516 3.628 1.00 0.23 H new ATOM 0 HD23 LEU A2092 11.835 -6.331 4.777 1.00 0.23 H new ATOM 692 N GLY A2093 14.131 -2.195 2.841 1.00 0.16 N ATOM 693 CA GLY A2093 14.983 -1.646 1.804 1.00 0.18 C ATOM 694 C GLY A2093 14.505 -0.316 1.260 1.00 0.15 C ATOM 695 O GLY A2093 15.171 0.282 0.415 1.00 0.20 O ATOM 0 H GLY A2093 14.015 -1.604 3.664 1.00 0.16 H new ATOM 0 HA2 GLY A2093 15.991 -1.524 2.201 1.00 0.18 H new ATOM 0 HA3 GLY A2093 15.048 -2.361 0.984 1.00 0.18 H new ATOM 699 N ILE A2094 13.364 0.160 1.740 1.00 0.13 N ATOM 700 CA ILE A2094 12.786 1.398 1.247 1.00 0.12 C ATOM 701 C ILE A2094 13.666 2.614 1.528 1.00 0.12 C ATOM 702 O ILE A2094 14.137 2.814 2.651 1.00 0.16 O ATOM 703 CB ILE A2094 11.387 1.605 1.860 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.358 0.819 1.052 1.00 0.18 C ATOM 705 CG2 ILE A2094 11.025 3.082 1.938 1.00 0.18 C ATOM 706 CD1 ILE A2094 9.961 1.489 -0.239 1.00 0.32 C ATOM 0 H ILE A2094 12.820 -0.296 2.473 1.00 0.13 H new ATOM 0 HA ILE A2094 12.708 1.306 0.164 1.00 0.12 H new ATOM 0 HB ILE A2094 11.392 1.230 2.884 1.00 0.12 H new ATOM 0 HG12 ILE A2094 10.762 -0.169 0.829 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.467 0.669 1.662 1.00 0.18 H new ATOM 0 HG21 ILE A2094 10.032 3.191 2.375 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.754 3.603 2.559 1.00 0.18 H new ATOM 0 HG23 ILE A2094 11.029 3.511 0.936 1.00 0.18 H new ATOM 0 HD11 ILE A2094 9.227 0.872 -0.758 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.527 2.465 -0.024 1.00 0.32 H new ATOM 0 HD13 ILE A2094 10.841 1.614 -0.870 1.00 0.32 H new ATOM 718 N ASP A2095 13.888 3.413 0.490 1.00 0.15 N ATOM 719 CA ASP A2095 14.534 4.708 0.637 1.00 0.19 C ATOM 720 C ASP A2095 13.497 5.800 0.445 1.00 0.16 C ATOM 721 O ASP A2095 12.356 5.499 0.110 1.00 0.17 O ATOM 722 CB ASP A2095 15.674 4.894 -0.371 1.00 0.28 C ATOM 723 CG ASP A2095 16.829 3.946 -0.135 1.00 1.04 C ATOM 724 OD1 ASP A2095 17.424 3.986 0.961 1.00 1.23 O ATOM 725 OD2 ASP A2095 17.154 3.160 -1.049 1.00 1.86 O ATOM 0 H ASP A2095 13.627 3.182 -0.469 1.00 0.15 H new ATOM 0 HA ASP A2095 14.967 4.764 1.636 1.00 0.19 H new ATOM 0 HB2 ASP A2095 15.288 4.745 -1.380 1.00 0.28 H new ATOM 0 HB3 ASP A2095 16.036 5.921 -0.317 1.00 0.28 H new ATOM 730 N SER A2096 13.876 7.050 0.629 1.00 0.19 N ATOM 731 CA SER A2096 12.926 8.152 0.520 1.00 0.20 C ATOM 732 C SER A2096 12.314 8.220 -0.883 1.00 0.17 C ATOM 733 O SER A2096 11.148 8.581 -1.051 1.00 0.20 O ATOM 734 CB SER A2096 13.625 9.465 0.861 1.00 0.26 C ATOM 735 OG SER A2096 14.317 9.364 2.097 1.00 1.32 O ATOM 0 H SER A2096 14.830 7.332 0.854 1.00 0.19 H new ATOM 0 HA SER A2096 12.114 7.981 1.227 1.00 0.20 H new ATOM 0 HB2 SER A2096 14.325 9.726 0.068 1.00 0.26 H new ATOM 0 HB3 SER A2096 12.891 10.269 0.915 1.00 0.26 H new ATOM 0 HG SER A2096 14.759 10.216 2.295 1.00 1.32 H new ATOM 741 N LEU A2097 13.103 7.838 -1.879 1.00 0.17 N ATOM 742 CA LEU A2097 12.664 7.856 -3.269 1.00 0.19 C ATOM 743 C LEU A2097 11.633 6.784 -3.500 1.00 0.18 C ATOM 744 O LEU A2097 10.555 7.041 -4.020 1.00 0.24 O ATOM 745 CB LEU A2097 13.848 7.598 -4.189 1.00 0.23 C ATOM 746 CG LEU A2097 15.049 8.506 -3.967 1.00 1.07 C ATOM 747 CD1 LEU A2097 16.192 8.112 -4.886 1.00 1.61 C ATOM 748 CD2 LEU A2097 14.668 9.965 -4.179 1.00 1.55 C ATOM 0 H LEU A2097 14.059 7.509 -1.748 1.00 0.17 H new ATOM 0 HA LEU A2097 12.233 8.834 -3.483 1.00 0.19 H new ATOM 0 HB2 LEU A2097 14.167 6.563 -4.064 1.00 0.23 H new ATOM 0 HB3 LEU A2097 13.516 7.707 -5.222 1.00 0.23 H new ATOM 0 HG LEU A2097 15.381 8.388 -2.936 1.00 1.07 H new ATOM 0 HD11 LEU A2097 17.042 8.772 -4.713 1.00 1.61 H new ATOM 0 HD12 LEU A2097 16.485 7.082 -4.681 1.00 1.61 H new ATOM 0 HD13 LEU A2097 15.871 8.198 -5.924 1.00 1.61 H new ATOM 0 HD21 LEU A2097 15.541 10.597 -4.015 1.00 1.55 H new ATOM 0 HD22 LEU A2097 14.307 10.102 -5.198 1.00 1.55 H new ATOM 0 HD23 LEU A2097 13.883 10.242 -3.475 1.00 1.55 H new ATOM 760 N THR A2098 11.975 5.578 -3.121 1.00 0.14 N ATOM 761 CA THR A2098 11.068 4.465 -3.289 1.00 0.15 C ATOM 762 C THR A2098 9.878 4.535 -2.350 1.00 0.16 C ATOM 763 O THR A2098 8.810 4.004 -2.658 1.00 0.17 O ATOM 764 CB THR A2098 11.775 3.125 -3.157 1.00 0.15 C ATOM 765 OG1 THR A2098 12.921 3.250 -2.301 1.00 0.17 O ATOM 766 CG2 THR A2098 12.179 2.654 -4.536 1.00 0.19 C ATOM 0 H THR A2098 12.871 5.340 -2.695 1.00 0.14 H new ATOM 0 HA THR A2098 10.686 4.546 -4.307 1.00 0.15 H new ATOM 0 HB THR A2098 11.105 2.392 -2.708 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.367 2.381 -2.222 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.688 1.693 -4.458 1.00 0.19 H new ATOM 0 HG22 THR A2098 11.291 2.545 -5.158 1.00 0.19 H new ATOM 0 HG23 THR A2098 12.850 3.384 -4.988 1.00 0.19 H new ATOM 774 N ALA A2099 10.053 5.189 -1.214 1.00 0.16 N ATOM 775 CA ALA A2099 8.933 5.486 -0.339 1.00 0.18 C ATOM 776 C ALA A2099 7.938 6.370 -1.079 1.00 0.21 C ATOM 777 O ALA A2099 6.744 6.399 -0.782 1.00 0.24 O ATOM 778 CB ALA A2099 9.412 6.173 0.930 1.00 0.18 C ATOM 0 H ALA A2099 10.956 5.523 -0.878 1.00 0.16 H new ATOM 0 HA ALA A2099 8.445 4.554 -0.053 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.558 6.387 1.572 1.00 0.18 H new ATOM 0 HB2 ALA A2099 10.108 5.520 1.457 1.00 0.18 H new ATOM 0 HB3 ALA A2099 9.914 7.105 0.672 1.00 0.18 H new ATOM 784 N LEU A2100 8.456 7.065 -2.074 1.00 0.20 N ATOM 785 CA LEU A2100 7.668 7.945 -2.898 1.00 0.24 C ATOM 786 C LEU A2100 7.120 7.163 -4.093 1.00 0.20 C ATOM 787 O LEU A2100 5.994 7.384 -4.536 1.00 0.21 O ATOM 788 CB LEU A2100 8.550 9.126 -3.332 1.00 0.30 C ATOM 789 CG LEU A2100 8.497 9.489 -4.809 1.00 0.24 C ATOM 790 CD1 LEU A2100 7.205 10.208 -5.131 1.00 1.03 C ATOM 791 CD2 LEU A2100 9.694 10.328 -5.204 1.00 1.15 C ATOM 0 H LEU A2100 9.443 7.031 -2.330 1.00 0.20 H new ATOM 0 HA LEU A2100 6.814 8.341 -2.348 1.00 0.24 H new ATOM 0 HB2 LEU A2100 8.261 10.002 -2.752 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.583 8.898 -3.071 1.00 0.30 H new ATOM 0 HG LEU A2100 8.530 8.567 -5.389 1.00 0.24 H new ATOM 0 HD11 LEU A2100 7.183 10.460 -6.191 1.00 1.03 H new ATOM 0 HD12 LEU A2100 6.360 9.561 -4.895 1.00 1.03 H new ATOM 0 HD13 LEU A2100 7.140 11.121 -4.539 1.00 1.03 H new ATOM 0 HD21 LEU A2100 9.632 10.574 -6.264 1.00 1.15 H new ATOM 0 HD22 LEU A2100 9.703 11.247 -4.618 1.00 1.15 H new ATOM 0 HD23 LEU A2100 10.610 9.768 -5.014 1.00 1.15 H new ATOM 803 N GLU A2101 7.921 6.233 -4.596 1.00 0.21 N ATOM 804 CA GLU A2101 7.510 5.385 -5.707 1.00 0.20 C ATOM 805 C GLU A2101 6.365 4.471 -5.294 1.00 0.17 C ATOM 806 O GLU A2101 5.446 4.225 -6.074 1.00 0.17 O ATOM 807 CB GLU A2101 8.688 4.561 -6.203 1.00 0.23 C ATOM 808 CG GLU A2101 9.876 5.418 -6.569 1.00 0.28 C ATOM 809 CD GLU A2101 10.886 4.693 -7.432 1.00 0.33 C ATOM 810 OE1 GLU A2101 12.033 4.504 -6.987 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.529 4.308 -8.565 1.00 0.45 O ATOM 0 H GLU A2101 8.862 6.046 -4.251 1.00 0.21 H new ATOM 0 HA GLU A2101 7.162 6.026 -6.517 1.00 0.20 H new ATOM 0 HB2 GLU A2101 8.981 3.849 -5.431 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.381 3.980 -7.072 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.527 6.306 -7.096 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.365 5.760 -5.657 1.00 0.28 H new ATOM 818 N LEU A2102 6.430 3.966 -4.066 1.00 0.16 N ATOM 819 CA LEU A2102 5.355 3.166 -3.510 1.00 0.16 C ATOM 820 C LEU A2102 4.037 3.897 -3.573 1.00 0.16 C ATOM 821 O LEU A2102 3.112 3.468 -4.256 1.00 0.21 O ATOM 822 CB LEU A2102 5.642 2.819 -2.060 1.00 0.22 C ATOM 823 CG LEU A2102 6.580 1.650 -1.850 1.00 0.53 C ATOM 824 CD1 LEU A2102 6.409 1.089 -0.461 1.00 1.09 C ATOM 825 CD2 LEU A2102 6.327 0.585 -2.888 1.00 1.13 C ATOM 0 H LEU A2102 7.222 4.100 -3.438 1.00 0.16 H new ATOM 0 HA LEU A2102 5.292 2.256 -4.107 1.00 0.16 H new ATOM 0 HB2 LEU A2102 6.065 3.696 -1.570 1.00 0.22 H new ATOM 0 HB3 LEU A2102 4.698 2.600 -1.562 1.00 0.22 H new ATOM 0 HG LEU A2102 7.607 1.998 -1.958 1.00 0.53 H new ATOM 0 HD11 LEU A2102 7.089 0.249 -0.322 1.00 1.09 H new ATOM 0 HD12 LEU A2102 6.633 1.862 0.274 1.00 1.09 H new ATOM 0 HD13 LEU A2102 5.381 0.750 -0.329 1.00 1.09 H new ATOM 0 HD21 LEU A2102 7.008 -0.250 -2.726 1.00 1.13 H new ATOM 0 HD22 LEU A2102 5.298 0.235 -2.807 1.00 1.13 H new ATOM 0 HD23 LEU A2102 6.492 1.000 -3.882 1.00 1.13 H new ATOM 837 N ARG A2103 3.966 4.992 -2.837 1.00 0.18 N ATOM 838 CA ARG A2103 2.771 5.832 -2.806 1.00 0.25 C ATOM 839 C ARG A2103 2.305 6.161 -4.225 1.00 0.22 C ATOM 840 O ARG A2103 1.111 6.221 -4.488 1.00 0.24 O ATOM 841 CB ARG A2103 3.042 7.120 -2.008 1.00 0.37 C ATOM 842 CG ARG A2103 3.784 8.194 -2.788 1.00 0.72 C ATOM 843 CD ARG A2103 2.839 9.271 -3.294 1.00 0.65 C ATOM 844 NE ARG A2103 3.422 10.042 -4.391 1.00 1.21 N ATOM 845 CZ ARG A2103 3.011 11.261 -4.748 1.00 1.49 C ATOM 846 NH1 ARG A2103 2.050 11.872 -4.064 1.00 1.92 N ATOM 847 NH2 ARG A2103 3.558 11.864 -5.798 1.00 2.11 N ATOM 0 H ARG A2103 4.727 5.327 -2.246 1.00 0.18 H new ATOM 0 HA ARG A2103 1.974 5.280 -2.308 1.00 0.25 H new ATOM 0 HB2 ARG A2103 2.091 7.528 -1.665 1.00 0.37 H new ATOM 0 HB3 ARG A2103 3.620 6.868 -1.119 1.00 0.37 H new ATOM 0 HG2 ARG A2103 4.545 8.646 -2.152 1.00 0.72 H new ATOM 0 HG3 ARG A2103 4.303 7.739 -3.632 1.00 0.72 H new ATOM 0 HD2 ARG A2103 1.910 8.810 -3.629 1.00 0.65 H new ATOM 0 HD3 ARG A2103 2.584 9.943 -2.475 1.00 0.65 H new ATOM 0 HE ARG A2103 4.190 9.623 -4.916 1.00 1.21 H new ATOM 0 HH11 ARG A2103 1.622 11.410 -3.262 1.00 1.92 H new ATOM 0 HH12 ARG A2103 1.740 12.803 -4.341 1.00 1.92 H new ATOM 0 HH21 ARG A2103 4.291 11.396 -6.330 1.00 2.11 H new ATOM 0 HH22 ARG A2103 3.245 12.795 -6.072 1.00 2.11 H new ATOM 861 N ASN A2104 3.259 6.354 -5.132 1.00 0.21 N ATOM 862 CA ASN A2104 2.957 6.617 -6.534 1.00 0.22 C ATOM 863 C ASN A2104 2.178 5.458 -7.155 1.00 0.23 C ATOM 864 O ASN A2104 1.168 5.665 -7.825 1.00 0.29 O ATOM 865 CB ASN A2104 4.255 6.874 -7.310 1.00 0.23 C ATOM 866 CG ASN A2104 4.609 8.347 -7.379 1.00 0.31 C ATOM 867 OD1 ASN A2104 3.738 9.211 -7.300 1.00 0.40 O ATOM 868 ND2 ASN A2104 5.887 8.650 -7.544 1.00 0.36 N ATOM 0 H ASN A2104 4.256 6.333 -4.917 1.00 0.21 H new ATOM 0 HA ASN A2104 2.330 7.507 -6.591 1.00 0.22 H new ATOM 0 HB2 ASN A2104 5.072 6.329 -6.836 1.00 0.23 H new ATOM 0 HB3 ASN A2104 4.154 6.480 -8.321 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.175 9.626 -7.610 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.583 7.907 -7.606 1.00 0.36 H new ATOM 875 N THR A2105 2.639 4.240 -6.905 1.00 0.21 N ATOM 876 CA THR A2105 1.973 3.046 -7.408 1.00 0.24 C ATOM 877 C THR A2105 0.665 2.792 -6.651 1.00 0.22 C ATOM 878 O THR A2105 -0.368 2.475 -7.249 1.00 0.24 O ATOM 879 CB THR A2105 2.892 1.815 -7.265 1.00 0.28 C ATOM 880 OG1 THR A2105 4.186 2.107 -7.810 1.00 0.33 O ATOM 881 CG2 THR A2105 2.306 0.601 -7.971 1.00 0.28 C ATOM 0 H THR A2105 3.476 4.052 -6.354 1.00 0.21 H new ATOM 0 HA THR A2105 1.748 3.209 -8.462 1.00 0.24 H new ATOM 0 HB THR A2105 2.981 1.584 -6.203 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.654 2.737 -7.223 1.00 0.33 H new ATOM 0 HG21 THR A2105 2.978 -0.249 -7.851 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.336 0.361 -7.537 1.00 0.28 H new ATOM 0 HG23 THR A2105 2.184 0.821 -9.032 1.00 0.28 H new ATOM 889 N LEU A2106 0.720 2.956 -5.334 1.00 0.20 N ATOM 890 CA LEU A2106 -0.417 2.682 -4.463 1.00 0.19 C ATOM 891 C LEU A2106 -1.557 3.663 -4.701 1.00 0.18 C ATOM 892 O LEU A2106 -2.686 3.247 -4.930 1.00 0.22 O ATOM 893 CB LEU A2106 0.015 2.748 -2.994 1.00 0.28 C ATOM 894 CG LEU A2106 1.143 1.792 -2.597 1.00 0.50 C ATOM 895 CD1 LEU A2106 1.529 2.000 -1.142 1.00 1.25 C ATOM 896 CD2 LEU A2106 0.736 0.347 -2.838 1.00 1.47 C ATOM 0 H LEU A2106 1.552 3.282 -4.841 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.775 1.680 -4.698 1.00 0.19 H new ATOM 0 HB2 LEU A2106 0.330 3.767 -2.771 1.00 0.28 H new ATOM 0 HB3 LEU A2106 -0.853 2.539 -2.368 1.00 0.28 H new ATOM 0 HG LEU A2106 2.010 2.010 -3.220 1.00 0.50 H new ATOM 0 HD11 LEU A2106 2.332 1.312 -0.877 1.00 1.25 H new ATOM 0 HD12 LEU A2106 1.868 3.026 -0.999 1.00 1.25 H new ATOM 0 HD13 LEU A2106 0.664 1.811 -0.506 1.00 1.25 H new ATOM 0 HD21 LEU A2106 1.553 -0.314 -2.549 1.00 1.47 H new ATOM 0 HD22 LEU A2106 -0.147 0.114 -2.244 1.00 1.47 H new ATOM 0 HD23 LEU A2106 0.510 0.204 -3.895 1.00 1.47 H new ATOM 908 N THR A2107 -1.261 4.959 -4.661 1.00 0.19 N ATOM 909 CA THR A2107 -2.295 5.978 -4.803 1.00 0.27 C ATOM 910 C THR A2107 -2.912 5.911 -6.205 1.00 0.29 C ATOM 911 O THR A2107 -4.072 6.263 -6.405 1.00 0.33 O ATOM 912 CB THR A2107 -1.744 7.397 -4.488 1.00 0.37 C ATOM 913 OG1 THR A2107 -2.797 8.252 -4.039 1.00 0.67 O ATOM 914 CG2 THR A2107 -1.070 8.038 -5.688 1.00 0.44 C ATOM 0 H THR A2107 -0.318 5.327 -4.532 1.00 0.19 H new ATOM 0 HA THR A2107 -3.079 5.776 -4.074 1.00 0.27 H new ATOM 0 HB THR A2107 -0.997 7.273 -3.704 1.00 0.37 H new ATOM 0 HG1 THR A2107 -3.417 8.423 -4.778 1.00 0.67 H new ATOM 0 HG21 THR A2107 -0.703 9.027 -5.414 1.00 0.44 H new ATOM 0 HG22 THR A2107 -0.234 7.417 -6.010 1.00 0.44 H new ATOM 0 HG23 THR A2107 -1.788 8.130 -6.503 1.00 0.44 H new ATOM 922 N HIS A2108 -2.122 5.440 -7.164 1.00 0.29 N ATOM 923 CA HIS A2108 -2.611 5.140 -8.507 1.00 0.35 C ATOM 924 C HIS A2108 -3.624 3.999 -8.462 1.00 0.35 C ATOM 925 O HIS A2108 -4.760 4.131 -8.918 1.00 0.47 O ATOM 926 CB HIS A2108 -1.423 4.759 -9.393 1.00 0.38 C ATOM 927 CG HIS A2108 -1.788 4.271 -10.760 1.00 0.61 C ATOM 928 ND1 HIS A2108 -1.907 5.090 -11.860 1.00 0.71 N ATOM 929 CD2 HIS A2108 -2.049 3.023 -11.196 1.00 1.06 C ATOM 930 CE1 HIS A2108 -2.226 4.361 -12.913 1.00 1.01 C ATOM 931 NE2 HIS A2108 -2.321 3.100 -12.538 1.00 1.29 N ATOM 0 H HIS A2108 -1.127 5.256 -7.034 1.00 0.29 H new ATOM 0 HA HIS A2108 -3.108 6.019 -8.918 1.00 0.35 H new ATOM 0 HB2 HIS A2108 -0.771 5.627 -9.495 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.846 3.984 -8.888 1.00 0.38 H new ATOM 0 HD2 HIS A2108 -2.045 2.124 -10.597 1.00 1.06 H new ATOM 0 HE1 HIS A2108 -2.383 4.734 -13.914 1.00 1.01 H new ATOM 0 HE2 HIS A2108 -2.557 2.314 -13.144 1.00 1.29 H new ATOM 940 N ASN A2109 -3.183 2.889 -7.899 1.00 0.27 N ATOM 941 CA ASN A2109 -3.977 1.659 -7.822 1.00 0.28 C ATOM 942 C ASN A2109 -5.245 1.829 -6.981 1.00 0.28 C ATOM 943 O ASN A2109 -6.323 1.376 -7.365 1.00 0.36 O ATOM 944 CB ASN A2109 -3.109 0.540 -7.248 1.00 0.28 C ATOM 945 CG ASN A2109 -2.409 -0.258 -8.328 1.00 0.35 C ATOM 946 OD1 ASN A2109 -2.923 -1.270 -8.804 1.00 0.40 O ATOM 947 ND2 ASN A2109 -1.231 0.196 -8.725 1.00 0.39 N ATOM 0 H ASN A2109 -2.258 2.807 -7.477 1.00 0.27 H new ATOM 0 HA ASN A2109 -4.303 1.407 -8.831 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.365 0.969 -6.577 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.730 -0.128 -6.651 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -0.713 -0.297 -9.452 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -0.841 1.039 -8.304 1.00 0.39 H new ATOM 954 N THR A2110 -5.103 2.487 -5.846 1.00 0.25 N ATOM 955 CA THR A2110 -6.207 2.730 -4.932 1.00 0.26 C ATOM 956 C THR A2110 -7.102 3.827 -5.486 1.00 0.27 C ATOM 957 O THR A2110 -8.284 3.931 -5.150 1.00 0.33 O ATOM 958 CB THR A2110 -5.668 3.124 -3.553 1.00 0.27 C ATOM 959 OG1 THR A2110 -4.792 4.253 -3.681 1.00 0.24 O ATOM 960 CG2 THR A2110 -4.917 1.963 -2.911 1.00 0.29 C ATOM 0 H THR A2110 -4.213 2.871 -5.529 1.00 0.25 H new ATOM 0 HA THR A2110 -6.794 1.818 -4.827 1.00 0.26 H new ATOM 0 HB THR A2110 -6.512 3.384 -2.915 1.00 0.27 H new ATOM 0 HG1 THR A2110 -3.876 3.940 -3.833 1.00 0.24 H new ATOM 0 HG21 THR A2110 -4.544 2.267 -1.933 1.00 0.29 H new ATOM 0 HG22 THR A2110 -5.591 1.114 -2.794 1.00 0.29 H new ATOM 0 HG23 THR A2110 -4.079 1.676 -3.546 1.00 0.29 H new ATOM 968 N GLY A2111 -6.519 4.633 -6.365 1.00 0.23 N ATOM 969 CA GLY A2111 -7.240 5.713 -6.991 1.00 0.26 C ATOM 970 C GLY A2111 -7.362 6.905 -6.070 1.00 0.29 C ATOM 971 O GLY A2111 -7.996 7.909 -6.399 1.00 0.36 O ATOM 0 H GLY A2111 -5.545 4.551 -6.655 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -6.729 6.010 -7.907 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -8.234 5.370 -7.278 1.00 0.26 H new ATOM 975 N LEU A2112 -6.735 6.777 -4.917 1.00 0.28 N ATOM 976 CA LEU A2112 -6.781 7.775 -3.869 1.00 0.34 C ATOM 977 C LEU A2112 -5.771 8.863 -4.110 1.00 0.29 C ATOM 978 O LEU A2112 -5.110 8.914 -5.151 1.00 0.29 O ATOM 979 CB LEU A2112 -6.465 7.090 -2.541 1.00 0.43 C ATOM 980 CG LEU A2112 -7.217 5.789 -2.309 1.00 0.33 C ATOM 981 CD1 LEU A2112 -6.561 4.976 -1.211 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.661 6.067 -1.971 1.00 0.47 C ATOM 0 H LEU A2112 -6.170 5.962 -4.679 1.00 0.28 H new ATOM 0 HA LEU A2112 -7.773 8.227 -3.853 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -5.395 6.889 -2.496 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -6.695 7.778 -1.728 1.00 0.43 H new ATOM 0 HG LEU A2112 -7.183 5.207 -3.230 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -7.116 4.050 -1.063 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -5.535 4.742 -1.495 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -6.559 5.550 -0.285 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -9.184 5.125 -1.808 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -8.713 6.672 -1.066 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.130 6.605 -2.795 1.00 0.47 H new ATOM 994 N ASP A2113 -5.672 9.728 -3.133 1.00 0.28 N ATOM 995 CA ASP A2113 -4.660 10.753 -3.116 1.00 0.28 C ATOM 996 C ASP A2113 -3.901 10.666 -1.820 1.00 0.30 C ATOM 997 O ASP A2113 -4.470 10.799 -0.732 1.00 0.35 O ATOM 998 CB ASP A2113 -5.281 12.121 -3.269 1.00 0.34 C ATOM 999 CG ASP A2113 -4.256 13.234 -3.164 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -3.483 13.426 -4.125 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -4.211 13.920 -2.119 1.00 0.43 O ATOM 0 H ASP A2113 -6.293 9.741 -2.324 1.00 0.28 H new ATOM 0 HA ASP A2113 -3.979 10.600 -3.953 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -5.784 12.183 -4.234 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -6.044 12.259 -2.503 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.625 10.429 -1.949 1.00 0.30 N ATOM 1007 CA LEU A2114 -1.778 10.112 -0.817 1.00 0.30 C ATOM 1008 C LEU A2114 -0.466 10.882 -0.876 1.00 0.30 C ATOM 1009 O LEU A2114 0.039 11.197 -1.959 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.507 8.609 -0.807 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.761 7.736 -0.815 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -2.396 6.268 -0.932 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.583 7.995 0.435 1.00 0.91 C ATOM 0 H LEU A2114 -2.135 10.449 -2.843 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.290 10.404 0.100 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.899 8.357 -1.676 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -0.916 8.366 0.076 1.00 0.32 H new ATOM 0 HG LEU A2114 -3.363 7.997 -1.685 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -3.305 5.666 -0.936 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -1.847 6.102 -1.859 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -1.773 5.979 -0.085 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -4.475 7.368 0.420 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -2.988 7.759 1.317 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -3.877 9.044 0.466 1.00 0.91 H new ATOM 1025 N PRO A2115 0.095 11.191 0.298 1.00 0.29 N ATOM 1026 CA PRO A2115 1.368 11.907 0.423 1.00 0.31 C ATOM 1027 C PRO A2115 2.561 10.991 0.193 1.00 0.28 C ATOM 1028 O PRO A2115 2.460 9.772 0.336 1.00 0.25 O ATOM 1029 CB PRO A2115 1.348 12.354 1.882 1.00 0.33 C ATOM 1030 CG PRO A2115 0.627 11.251 2.567 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.473 10.860 1.623 1.00 0.30 C ATOM 0 HA PRO A2115 1.466 12.713 -0.304 1.00 0.31 H new ATOM 0 HB2 PRO A2115 2.356 12.482 2.277 1.00 0.33 H new ATOM 0 HB3 PRO A2115 0.834 13.307 2.004 1.00 0.33 H new ATOM 0 HG2 PRO A2115 1.291 10.411 2.769 1.00 0.29 H new ATOM 0 HG3 PRO A2115 0.226 11.578 3.527 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -0.718 9.801 1.704 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.390 11.415 1.819 1.00 0.30 H new ATOM 1039 N PRO A2116 3.720 11.564 -0.154 1.00 0.33 N ATOM 1040 CA PRO A2116 4.956 10.802 -0.281 1.00 0.36 C ATOM 1041 C PRO A2116 5.558 10.483 1.088 1.00 0.34 C ATOM 1042 O PRO A2116 6.633 9.898 1.188 1.00 0.43 O ATOM 1043 CB PRO A2116 5.860 11.734 -1.085 1.00 0.44 C ATOM 1044 CG PRO A2116 5.396 13.104 -0.732 1.00 0.46 C ATOM 1045 CD PRO A2116 3.918 12.994 -0.465 1.00 0.43 C ATOM 0 HA PRO A2116 4.812 9.833 -0.759 1.00 0.36 H new ATOM 0 HB2 PRO A2116 6.909 11.591 -0.824 1.00 0.44 H new ATOM 0 HB3 PRO A2116 5.769 11.548 -2.155 1.00 0.44 H new ATOM 0 HG2 PRO A2116 5.923 13.479 0.146 1.00 0.46 H new ATOM 0 HG3 PRO A2116 5.593 13.803 -1.545 1.00 0.46 H new ATOM 0 HD2 PRO A2116 3.614 13.630 0.366 1.00 0.43 H new ATOM 0 HD3 PRO A2116 3.331 13.300 -1.331 1.00 0.43 H new ATOM 1053 N THR A2117 4.841 10.875 2.138 1.00 0.27 N ATOM 1054 CA THR A2117 5.263 10.614 3.502 1.00 0.24 C ATOM 1055 C THR A2117 4.552 9.399 4.089 1.00 0.17 C ATOM 1056 O THR A2117 4.788 9.051 5.238 1.00 0.15 O ATOM 1057 CB THR A2117 5.000 11.831 4.405 1.00 0.27 C ATOM 1058 OG1 THR A2117 3.669 12.322 4.181 1.00 0.32 O ATOM 1059 CG2 THR A2117 6.011 12.934 4.139 1.00 0.36 C ATOM 0 H THR A2117 3.957 11.379 2.063 1.00 0.27 H new ATOM 0 HA THR A2117 6.334 10.413 3.465 1.00 0.24 H new ATOM 0 HB THR A2117 5.102 11.518 5.444 1.00 0.27 H new ATOM 0 HG1 THR A2117 3.504 13.096 4.759 1.00 0.32 H new ATOM 0 HG21 THR A2117 5.803 13.783 4.790 1.00 0.36 H new ATOM 0 HG22 THR A2117 7.016 12.562 4.338 1.00 0.36 H new ATOM 0 HG23 THR A2117 5.940 13.249 3.098 1.00 0.36 H new ATOM 1067 N LEU A2118 3.672 8.779 3.298 1.00 0.16 N ATOM 1068 CA LEU A2118 2.967 7.552 3.701 1.00 0.16 C ATOM 1069 C LEU A2118 3.853 6.595 4.468 1.00 0.16 C ATOM 1070 O LEU A2118 3.604 6.274 5.628 1.00 0.19 O ATOM 1071 CB LEU A2118 2.492 6.793 2.477 1.00 0.23 C ATOM 1072 CG LEU A2118 1.218 7.276 1.826 1.00 0.33 C ATOM 1073 CD1 LEU A2118 0.893 6.343 0.680 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.090 7.311 2.843 1.00 0.77 C ATOM 0 H LEU A2118 3.427 9.109 2.364 1.00 0.16 H new ATOM 0 HA LEU A2118 2.141 7.881 4.332 1.00 0.16 H new ATOM 0 HB2 LEU A2118 3.286 6.821 1.731 1.00 0.23 H new ATOM 0 HB3 LEU A2118 2.355 5.749 2.757 1.00 0.23 H new ATOM 0 HG LEU A2118 1.344 8.290 1.445 1.00 0.33 H new ATOM 0 HD11 LEU A2118 -0.025 6.671 0.193 1.00 0.79 H new ATOM 0 HD12 LEU A2118 1.710 6.354 -0.041 1.00 0.79 H new ATOM 0 HD13 LEU A2118 0.759 5.331 1.062 1.00 0.79 H new ATOM 0 HD21 LEU A2118 -0.823 7.661 2.362 1.00 0.77 H new ATOM 0 HD22 LEU A2118 -0.071 6.310 3.242 1.00 0.77 H new ATOM 0 HD23 LEU A2118 0.354 7.988 3.656 1.00 0.77 H new ATOM 1086 N ILE A2119 4.872 6.130 3.771 1.00 0.15 N ATOM 1087 CA ILE A2119 5.790 5.121 4.277 1.00 0.18 C ATOM 1088 C ILE A2119 6.454 5.567 5.581 1.00 0.20 C ATOM 1089 O ILE A2119 6.888 4.747 6.380 1.00 0.28 O ATOM 1090 CB ILE A2119 6.891 4.826 3.237 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.326 4.808 1.808 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.580 3.510 3.548 1.00 0.24 C ATOM 1093 CD1 ILE A2119 5.211 3.814 1.563 1.00 0.20 C ATOM 0 H ILE A2119 5.090 6.445 2.826 1.00 0.15 H new ATOM 0 HA ILE A2119 5.205 4.222 4.469 1.00 0.18 H new ATOM 0 HB ILE A2119 7.624 5.630 3.297 1.00 0.19 H new ATOM 0 HG12 ILE A2119 5.959 5.806 1.568 1.00 0.19 H new ATOM 0 HG13 ILE A2119 7.140 4.593 1.116 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.353 3.319 2.804 1.00 0.24 H new ATOM 0 HG22 ILE A2119 8.034 3.562 4.538 1.00 0.24 H new ATOM 0 HG23 ILE A2119 6.848 2.702 3.526 1.00 0.24 H new ATOM 0 HD11 ILE A2119 4.884 3.882 0.525 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.572 2.805 1.764 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.373 4.038 2.223 1.00 0.20 H new ATOM 1105 N PHE A2120 6.534 6.871 5.778 1.00 0.17 N ATOM 1106 CA PHE A2120 7.147 7.443 6.958 1.00 0.19 C ATOM 1107 C PHE A2120 6.122 7.642 8.072 1.00 0.20 C ATOM 1108 O PHE A2120 6.448 7.600 9.259 1.00 0.26 O ATOM 1109 CB PHE A2120 7.774 8.771 6.566 1.00 0.19 C ATOM 1110 CG PHE A2120 8.991 8.589 5.715 1.00 0.24 C ATOM 1111 CD1 PHE A2120 10.032 7.770 6.120 1.00 0.31 C ATOM 1112 CD2 PHE A2120 9.102 9.266 4.517 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.162 7.631 5.336 1.00 0.37 C ATOM 1114 CE2 PHE A2120 10.222 9.132 3.730 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.238 8.187 4.137 1.00 0.38 C ATOM 0 H PHE A2120 6.174 7.563 5.121 1.00 0.17 H new ATOM 0 HA PHE A2120 7.908 6.764 7.341 1.00 0.19 H new ATOM 0 HB2 PHE A2120 7.042 9.372 6.027 1.00 0.19 H new ATOM 0 HB3 PHE A2120 8.041 9.325 7.466 1.00 0.19 H new ATOM 0 HD1 PHE A2120 9.960 7.236 7.056 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.298 9.910 4.193 1.00 0.27 H new ATOM 0 HE1 PHE A2120 11.998 7.058 5.709 1.00 0.37 H new ATOM 0 HE2 PHE A2120 10.340 9.718 2.830 1.00 0.34 H new ATOM 0 HZ PHE A2120 12.050 7.938 3.470 1.00 0.38 H new ATOM 1125 N ASP A2121 4.882 7.861 7.666 1.00 0.17 N ATOM 1126 CA ASP A2121 3.782 8.136 8.586 1.00 0.22 C ATOM 1127 C ASP A2121 3.180 6.842 9.121 1.00 0.20 C ATOM 1128 O ASP A2121 2.758 6.761 10.272 1.00 0.29 O ATOM 1129 CB ASP A2121 2.706 8.942 7.858 1.00 0.29 C ATOM 1130 CG ASP A2121 1.702 9.573 8.797 1.00 0.74 C ATOM 1131 OD1 ASP A2121 0.489 9.391 8.584 1.00 1.34 O ATOM 1132 OD2 ASP A2121 2.124 10.225 9.775 1.00 0.88 O ATOM 0 H ASP A2121 4.605 7.854 6.684 1.00 0.17 H new ATOM 0 HA ASP A2121 4.168 8.707 9.431 1.00 0.22 H new ATOM 0 HB2 ASP A2121 3.183 9.724 7.267 1.00 0.29 H new ATOM 0 HB3 ASP A2121 2.182 8.290 7.160 1.00 0.29 H new ATOM 1137 N HIS A2122 3.144 5.834 8.265 1.00 0.14 N ATOM 1138 CA HIS A2122 2.614 4.522 8.613 1.00 0.14 C ATOM 1139 C HIS A2122 3.548 3.473 8.045 1.00 0.14 C ATOM 1140 O HIS A2122 3.266 2.870 7.010 1.00 0.14 O ATOM 1141 CB HIS A2122 1.218 4.294 8.028 1.00 0.16 C ATOM 1142 CG HIS A2122 0.229 5.375 8.322 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.640 5.333 9.386 1.00 0.34 N ATOM 1144 CD2 HIS A2122 -0.034 6.530 7.670 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.394 6.415 9.378 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -1.048 7.160 8.347 1.00 0.40 N ATOM 0 H HIS A2122 3.482 5.901 7.305 1.00 0.14 H new ATOM 0 HA HIS A2122 2.540 4.458 9.699 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.306 4.186 6.947 1.00 0.16 H new ATOM 0 HB3 HIS A2122 0.829 3.351 8.412 1.00 0.16 H new ATOM 0 HD2 HIS A2122 0.462 6.890 6.781 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -2.166 6.651 10.096 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -1.465 8.056 8.094 1.00 0.40 H new ATOM 1155 N PRO A2123 4.678 3.247 8.699 1.00 0.16 N ATOM 1156 CA PRO A2123 5.720 2.422 8.152 1.00 0.17 C ATOM 1157 C PRO A2123 5.576 0.970 8.553 1.00 0.15 C ATOM 1158 O PRO A2123 5.838 0.604 9.692 1.00 0.19 O ATOM 1159 CB PRO A2123 6.977 3.021 8.798 1.00 0.20 C ATOM 1160 CG PRO A2123 6.501 3.880 9.936 1.00 0.25 C ATOM 1161 CD PRO A2123 5.006 3.728 10.012 1.00 0.20 C ATOM 0 HA PRO A2123 5.721 2.417 7.062 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.642 2.235 9.156 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.541 3.611 8.076 1.00 0.20 H new ATOM 0 HG2 PRO A2123 6.967 3.572 10.872 1.00 0.25 H new ATOM 0 HG3 PRO A2123 6.774 4.922 9.772 1.00 0.25 H new ATOM 0 HD2 PRO A2123 4.708 3.024 10.789 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.512 4.674 10.233 1.00 0.20 H new ATOM 1169 N THR A2124 5.097 0.199 7.590 1.00 0.12 N ATOM 1170 CA THR A2124 5.185 -1.249 7.482 1.00 0.10 C ATOM 1171 C THR A2124 4.220 -1.615 6.371 1.00 0.10 C ATOM 1172 O THR A2124 3.301 -0.828 6.118 1.00 0.11 O ATOM 1173 CB THR A2124 4.839 -2.046 8.760 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.723 -1.468 9.440 1.00 0.13 O ATOM 1175 CG2 THR A2124 6.031 -2.127 9.683 1.00 0.11 C ATOM 0 H THR A2124 4.596 0.603 6.799 1.00 0.12 H new ATOM 0 HA THR A2124 6.224 -1.518 7.292 1.00 0.10 H new ATOM 0 HB THR A2124 4.568 -3.057 8.456 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.523 -1.991 10.244 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.763 -2.693 10.575 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.854 -2.626 9.171 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.338 -1.121 9.970 1.00 0.11 H new ATOM 1183 N PRO A2125 4.366 -2.738 5.667 1.00 0.11 N ATOM 1184 CA PRO A2125 3.340 -3.140 4.714 1.00 0.12 C ATOM 1185 C PRO A2125 1.983 -3.226 5.407 1.00 0.13 C ATOM 1186 O PRO A2125 0.962 -2.819 4.855 1.00 0.14 O ATOM 1187 CB PRO A2125 3.802 -4.508 4.221 1.00 0.12 C ATOM 1188 CG PRO A2125 5.269 -4.531 4.485 1.00 0.12 C ATOM 1189 CD PRO A2125 5.500 -3.670 5.699 1.00 0.11 C ATOM 0 HA PRO A2125 3.217 -2.433 3.894 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.292 -5.313 4.751 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.589 -4.639 3.160 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.615 -5.549 4.660 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.823 -4.149 3.628 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.511 -4.260 6.615 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.454 -3.146 5.646 1.00 0.11 H new ATOM 1197 N HIS A2126 2.001 -3.704 6.651 1.00 0.13 N ATOM 1198 CA HIS A2126 0.796 -3.800 7.462 1.00 0.15 C ATOM 1199 C HIS A2126 0.228 -2.420 7.798 1.00 0.14 C ATOM 1200 O HIS A2126 -0.961 -2.200 7.611 1.00 0.16 O ATOM 1201 CB HIS A2126 1.105 -4.615 8.728 1.00 0.18 C ATOM 1202 CG HIS A2126 0.082 -4.509 9.822 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -1.118 -5.183 9.798 1.00 0.35 N ATOM 1204 CD2 HIS A2126 0.097 -3.813 10.983 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -1.797 -4.909 10.896 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -1.083 -4.080 11.632 1.00 0.40 N ATOM 0 H HIS A2126 2.846 -4.032 7.119 1.00 0.13 H new ATOM 0 HA HIS A2126 0.023 -4.315 6.891 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.208 -5.664 8.449 1.00 0.18 H new ATOM 0 HB3 HIS A2126 2.069 -4.293 9.122 1.00 0.18 H new ATOM 0 HD2 HIS A2126 0.889 -3.168 11.333 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -2.772 -5.298 11.149 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -1.362 -3.699 12.536 1.00 0.40 H new ATOM 1215 N ALA A2127 1.067 -1.491 8.268 1.00 0.13 N ATOM 1216 CA ALA A2127 0.591 -0.148 8.638 1.00 0.12 C ATOM 1217 C ALA A2127 -0.103 0.536 7.466 1.00 0.11 C ATOM 1218 O ALA A2127 -1.117 1.214 7.639 1.00 0.11 O ATOM 1219 CB ALA A2127 1.733 0.734 9.147 1.00 0.13 C ATOM 0 H ALA A2127 2.067 -1.638 8.401 1.00 0.13 H new ATOM 0 HA ALA A2127 -0.130 -0.280 9.445 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.344 1.717 9.410 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.183 0.274 10.027 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.487 0.839 8.367 1.00 0.13 H new ATOM 1225 N LEU A2128 0.439 0.358 6.272 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.170 0.917 5.085 1.00 0.11 C ATOM 1227 C LEU A2128 -1.443 0.190 4.723 1.00 0.13 C ATOM 1228 O LEU A2128 -2.412 0.812 4.295 1.00 0.14 O ATOM 1229 CB LEU A2128 0.799 0.875 3.923 1.00 0.11 C ATOM 1230 CG LEU A2128 1.901 1.913 3.988 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.732 1.838 2.731 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.310 3.306 4.175 1.00 0.12 C ATOM 0 H LEU A2128 1.297 -0.168 6.103 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.423 1.955 5.302 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.252 -0.115 3.879 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.242 1.012 2.996 1.00 0.11 H new ATOM 0 HG LEU A2128 2.543 1.709 4.845 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.526 2.584 2.775 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.172 0.844 2.644 1.00 0.12 H new ATOM 0 HD13 LEU A2128 2.100 2.032 1.865 1.00 0.12 H new ATOM 0 HD21 LEU A2128 2.115 4.040 4.220 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.653 3.538 3.337 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.739 3.337 5.103 1.00 0.12 H new ATOM 1244 N THR A2129 -1.450 -1.119 4.926 1.00 0.15 N ATOM 1245 CA THR A2129 -2.626 -1.920 4.655 1.00 0.17 C ATOM 1246 C THR A2129 -3.797 -1.400 5.477 1.00 0.17 C ATOM 1247 O THR A2129 -4.962 -1.527 5.097 1.00 0.20 O ATOM 1248 CB THR A2129 -2.379 -3.410 4.974 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.284 -3.906 4.194 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.612 -4.243 4.682 1.00 0.18 C ATOM 0 H THR A2129 -0.651 -1.646 5.278 1.00 0.15 H new ATOM 0 HA THR A2129 -2.857 -1.840 3.593 1.00 0.17 H new ATOM 0 HB THR A2129 -2.144 -3.489 6.035 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.442 -3.728 4.662 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.409 -5.288 4.916 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.443 -3.889 5.292 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.872 -4.151 3.627 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.464 -0.780 6.594 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.466 -0.192 7.452 1.00 0.18 C ATOM 1260 C GLN A2130 -4.891 1.170 6.909 1.00 0.17 C ATOM 1261 O GLN A2130 -6.081 1.426 6.728 1.00 0.20 O ATOM 1262 CB GLN A2130 -3.946 -0.046 8.889 1.00 0.22 C ATOM 1263 CG GLN A2130 -3.050 -1.187 9.344 1.00 0.28 C ATOM 1264 CD GLN A2130 -2.852 -1.222 10.845 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -1.909 -0.635 11.373 1.00 1.66 O ATOM 1266 NE2 GLN A2130 -3.740 -1.912 11.543 1.00 1.13 N ATOM 0 H GLN A2130 -2.505 -0.673 6.925 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.330 -0.857 7.468 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.394 0.890 8.971 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -4.797 0.026 9.566 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -3.482 -2.133 9.018 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -2.079 -1.095 8.857 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -4.508 -2.385 11.066 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -3.656 -1.971 12.558 1.00 1.13 H new ATOM 1275 N HIS A2131 -3.911 2.029 6.614 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.192 3.400 6.192 1.00 0.18 C ATOM 1277 C HIS A2131 -4.919 3.435 4.855 1.00 0.18 C ATOM 1278 O HIS A2131 -5.908 4.143 4.693 1.00 0.19 O ATOM 1279 CB HIS A2131 -2.891 4.201 6.090 1.00 0.23 C ATOM 1280 CG HIS A2131 -3.076 5.585 5.540 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -3.720 6.592 6.224 1.00 0.32 N ATOM 1282 CD2 HIS A2131 -2.713 6.115 4.350 1.00 0.27 C ATOM 1283 CE1 HIS A2131 -3.748 7.680 5.480 1.00 0.35 C ATOM 1284 NE2 HIS A2131 -3.141 7.423 4.336 1.00 0.31 N ATOM 0 H HIS A2131 -2.919 1.798 6.660 1.00 0.16 H new ATOM 0 HA HIS A2131 -4.839 3.850 6.945 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.439 4.270 7.079 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.189 3.659 5.456 1.00 0.23 H new ATOM 0 HD2 HIS A2131 -2.185 5.606 3.557 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -4.193 8.624 5.759 1.00 0.35 H new ATOM 0 HE2 HIS A2131 -3.011 8.084 3.570 1.00 0.31 H new ATOM 1293 N LEU A2132 -4.405 2.688 3.898 1.00 0.19 N ATOM 1294 CA LEU A2132 -4.971 2.650 2.559 1.00 0.21 C ATOM 1295 C LEU A2132 -6.375 2.063 2.576 1.00 0.21 C ATOM 1296 O LEU A2132 -7.227 2.448 1.778 1.00 0.26 O ATOM 1297 CB LEU A2132 -4.053 1.840 1.671 1.00 0.26 C ATOM 1298 CG LEU A2132 -2.599 2.278 1.760 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -1.699 1.264 1.111 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -2.411 3.644 1.136 1.00 0.64 C ATOM 0 H LEU A2132 -3.587 2.092 4.023 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.054 3.664 2.168 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -4.127 0.788 1.945 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -4.389 1.924 0.638 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.327 2.348 2.813 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -0.663 1.596 1.185 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -1.809 0.304 1.615 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -1.971 1.156 0.061 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -1.364 3.937 1.211 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -2.704 3.608 0.087 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -3.030 4.372 1.660 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.619 1.154 3.513 1.00 0.20 N ATOM 1313 CA HIS A2133 -7.943 0.590 3.687 1.00 0.21 C ATOM 1314 C HIS A2133 -8.876 1.677 4.191 1.00 0.21 C ATOM 1315 O HIS A2133 -9.999 1.817 3.713 1.00 0.27 O ATOM 1316 CB HIS A2133 -7.908 -0.585 4.672 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.244 -1.241 4.857 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.839 -1.406 6.087 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -10.099 -1.777 3.953 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -11.000 -2.012 5.935 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -11.186 -2.249 4.649 1.00 0.31 N ATOM 0 H HIS A2133 -5.916 0.796 4.160 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.303 0.211 2.731 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -7.192 -1.327 4.317 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.548 -0.231 5.638 1.00 0.21 H new ATOM 0 HD2 HIS A2133 -9.953 -1.825 2.884 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.684 -2.271 6.729 1.00 0.30 H new ATOM 0 HE2 HIS A2133 -12.001 -2.706 4.240 1.00 0.31 H new ATOM 1330 N THR A2134 -8.372 2.456 5.140 1.00 0.18 N ATOM 1331 CA THR A2134 -9.098 3.581 5.701 1.00 0.22 C ATOM 1332 C THR A2134 -9.434 4.620 4.632 1.00 0.26 C ATOM 1333 O THR A2134 -10.465 5.270 4.705 1.00 0.34 O ATOM 1334 CB THR A2134 -8.279 4.235 6.831 1.00 0.26 C ATOM 1335 OG1 THR A2134 -7.952 3.253 7.825 1.00 0.27 O ATOM 1336 CG2 THR A2134 -9.038 5.378 7.485 1.00 0.36 C ATOM 0 H THR A2134 -7.444 2.322 5.542 1.00 0.18 H new ATOM 0 HA THR A2134 -10.035 3.201 6.108 1.00 0.22 H new ATOM 0 HB THR A2134 -7.368 4.639 6.389 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.283 2.634 7.466 1.00 0.27 H new ATOM 0 HG21 THR A2134 -8.428 5.814 8.277 1.00 0.36 H new ATOM 0 HG22 THR A2134 -9.262 6.140 6.739 1.00 0.36 H new ATOM 0 HG23 THR A2134 -9.968 5.001 7.910 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.576 4.753 3.628 1.00 0.27 N ATOM 1345 CA ARG A2135 -8.776 5.736 2.580 1.00 0.32 C ATOM 1346 C ARG A2135 -9.903 5.323 1.633 1.00 0.40 C ATOM 1347 O ARG A2135 -10.599 6.172 1.075 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.479 5.922 1.805 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.364 6.483 2.653 1.00 0.28 C ATOM 1350 CD ARG A2135 -6.742 7.837 3.218 1.00 0.33 C ATOM 1351 NE ARG A2135 -6.588 8.919 2.247 1.00 0.85 N ATOM 1352 CZ ARG A2135 -6.798 10.205 2.533 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -7.162 10.564 3.759 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -6.648 11.129 1.591 1.00 1.64 N ATOM 0 H ARG A2135 -7.733 4.188 3.521 1.00 0.27 H new ATOM 0 HA ARG A2135 -9.065 6.679 3.044 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -7.167 4.962 1.392 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -7.658 6.589 0.961 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -6.140 5.794 3.468 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.458 6.575 2.055 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -7.776 7.807 3.560 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -6.123 8.047 4.090 1.00 0.33 H new ATOM 0 HE ARG A2135 -6.304 8.677 1.298 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -7.281 9.856 4.483 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -7.322 11.548 3.976 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -6.372 10.856 0.648 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -6.809 12.112 1.811 1.00 1.64 H new ATOM 1368 N LEU A2136 -10.068 4.019 1.444 1.00 0.41 N ATOM 1369 CA LEU A2136 -11.088 3.495 0.563 1.00 0.51 C ATOM 1370 C LEU A2136 -12.442 3.427 1.250 1.00 0.58 C ATOM 1371 O LEU A2136 -13.466 3.797 0.669 1.00 0.85 O ATOM 1372 CB LEU A2136 -10.664 2.108 0.096 1.00 0.54 C ATOM 1373 CG LEU A2136 -9.384 2.096 -0.730 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -8.934 0.679 -1.021 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -9.600 2.866 -2.015 1.00 0.75 C ATOM 0 H LEU A2136 -9.499 3.304 1.897 1.00 0.41 H new ATOM 0 HA LEU A2136 -11.193 4.165 -0.290 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -10.527 1.468 0.968 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -11.470 1.673 -0.495 1.00 0.54 H new ATOM 0 HG LEU A2136 -8.594 2.579 -0.155 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -8.018 0.702 -1.612 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -8.747 0.157 -0.083 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -9.712 0.157 -1.578 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -8.683 2.856 -2.604 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -10.403 2.402 -2.587 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -9.870 3.896 -1.781 1.00 0.75 H new ATOM 1387 N THR A2137 -12.441 2.960 2.487 1.00 0.43 N ATOM 1388 CA THR A2137 -13.668 2.744 3.223 1.00 0.47 C ATOM 1389 C THR A2137 -14.169 4.035 3.856 1.00 0.54 C ATOM 1390 O THR A2137 -15.341 4.395 3.729 1.00 0.68 O ATOM 1391 CB THR A2137 -13.435 1.681 4.305 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.369 2.093 5.170 1.00 0.39 O ATOM 1393 CG2 THR A2137 -13.080 0.349 3.666 1.00 0.42 C ATOM 0 H THR A2137 -11.594 2.722 3.004 1.00 0.43 H new ATOM 0 HA THR A2137 -14.431 2.398 2.526 1.00 0.47 H new ATOM 0 HB THR A2137 -14.351 1.566 4.884 1.00 0.43 H new ATOM 0 HG1 THR A2137 -11.508 1.877 4.754 1.00 0.39 H new ATOM 0 HG21 THR A2137 -12.917 -0.396 4.445 1.00 0.42 H new ATOM 0 HG22 THR A2137 -13.896 0.026 3.020 1.00 0.42 H new ATOM 0 HG23 THR A2137 -12.171 0.460 3.074 1.00 0.42 H new