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 Single : A2057 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2058 GLN : amide:sc= -1.41! C(o=-1.4!,f=-6.5!) USER MOD Single : A2059 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A2060 GLN :FLIP amide:sc= -0.341 F(o=-0.92,f=-0.34) USER MOD Single : A2061 GLN : amide:sc=-0.00769 X(o=-0.0077,f=-0.38) USER MOD Single : A2062 THR OG1 : rot 78:sc= 1.14 USER MOD Single : A2065 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A2071 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A2073 THR OG1 : rot 73:sc= 0.0335 USER MOD Single : A2077 HIS : no HE2:sc= -3.24 K(o=-3.2,f=-7.8!) USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2079 THR OG1 : rot -111:sc= -0.192! USER MOD Single : A2082 SER OG : rot -37:sc= 0.952 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 58:sc= 0.0761 USER MOD Single : A2098 THR OG1 : rot 180:sc= 0.74 USER MOD Single : A2104 ASN : amide:sc= -1.79 X(o=-1.8,f=-1.8!) USER MOD Single : A2105 THR OG1 : rot 70:sc= 0.0515 USER MOD Single : A2107 THR OG1 : rot -32:sc= -0.991! USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= 0.324 X(o=0.32,f=-0.0019) USER MOD Single : A2110 THR OG1 : rot -84:sc= 0.17 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.484 USER MOD Single : A2122 HIS : no HD1:sc= -0.372 X(o=-0.37,f=-0.44) USER MOD Single : A2124 THR OG1 : rot 180:sc= 0.0178 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2129 THR OG1 : rot 24:sc= 0.711 USER MOD Single : A2130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2131 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A2133 HIS : no HD1:sc= -0.795 X(o=-0.79,f=-0.75) USER MOD Single : A2134 THR OG1 : rot 73:sc= 0.417 USER MOD Single : A2137 THR OG1 : rot -110:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 150 N PRO A2056 -14.419 -7.133 4.200 1.00 0.67 N ATOM 151 CA PRO A2056 -13.485 -6.184 4.818 1.00 0.61 C ATOM 152 C PRO A2056 -12.071 -6.716 5.065 1.00 0.54 C ATOM 153 O PRO A2056 -11.099 -6.109 4.613 1.00 0.50 O ATOM 154 CB PRO A2056 -14.157 -5.852 6.151 1.00 0.71 C ATOM 155 CG PRO A2056 -15.503 -6.501 6.123 1.00 0.86 C ATOM 156 CD PRO A2056 -15.766 -6.904 4.708 1.00 0.81 C ATOM 0 HA PRO A2056 -13.319 -5.338 4.151 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -13.565 -6.224 6.987 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -14.249 -4.774 6.281 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -15.526 -7.369 6.782 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -16.270 -5.812 6.477 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -16.382 -7.801 4.648 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -16.284 -6.123 4.151 1.00 0.81 H new ATOM 164 N GLN A2057 -11.947 -7.831 5.773 1.00 0.58 N ATOM 165 CA GLN A2057 -10.634 -8.374 6.094 1.00 0.60 C ATOM 166 C GLN A2057 -9.931 -8.871 4.830 1.00 0.57 C ATOM 167 O GLN A2057 -8.715 -8.726 4.685 1.00 0.57 O ATOM 168 CB GLN A2057 -10.766 -9.503 7.116 1.00 0.71 C ATOM 169 CG GLN A2057 -9.435 -10.036 7.601 1.00 0.83 C ATOM 170 CD GLN A2057 -9.585 -11.112 8.655 1.00 1.19 C ATOM 171 OE1 GLN A2057 -9.642 -10.822 9.850 1.00 1.63 O ATOM 172 NE2 GLN A2057 -9.635 -12.364 8.227 1.00 1.95 N ATOM 0 H GLN A2057 -12.732 -8.373 6.133 1.00 0.58 H new ATOM 0 HA GLN A2057 -10.027 -7.580 6.529 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -11.338 -9.143 7.971 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -11.336 -10.320 6.672 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -8.879 -10.438 6.754 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -8.846 -9.214 8.008 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -9.585 -12.564 7.228 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -9.724 -13.129 8.896 1.00 1.95 H new ATOM 181 N GLN A2058 -10.705 -9.441 3.914 1.00 0.59 N ATOM 182 CA GLN A2058 -10.178 -9.851 2.616 1.00 0.64 C ATOM 183 C GLN A2058 -9.731 -8.624 1.837 1.00 0.57 C ATOM 184 O GLN A2058 -8.701 -8.639 1.165 1.00 0.59 O ATOM 185 CB GLN A2058 -11.238 -10.595 1.801 1.00 0.75 C ATOM 186 CG GLN A2058 -11.778 -11.854 2.451 1.00 0.83 C ATOM 187 CD GLN A2058 -10.733 -12.944 2.626 1.00 0.99 C ATOM 188 OE1 GLN A2058 -9.549 -12.675 2.834 1.00 1.44 O ATOM 189 NE2 GLN A2058 -11.166 -14.190 2.536 1.00 1.60 N ATOM 0 H GLN A2058 -11.699 -9.630 4.045 1.00 0.59 H new ATOM 0 HA GLN A2058 -9.334 -10.519 2.789 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -12.070 -9.917 1.610 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -10.812 -10.858 0.833 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -12.193 -11.600 3.426 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -12.598 -12.242 1.847 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -12.154 -14.375 2.363 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -10.512 -14.966 2.640 1.00 1.60 H new ATOM 198 N GLN A2059 -10.529 -7.567 1.936 1.00 0.54 N ATOM 199 CA GLN A2059 -10.224 -6.295 1.299 1.00 0.52 C ATOM 200 C GLN A2059 -8.883 -5.775 1.780 1.00 0.47 C ATOM 201 O GLN A2059 -8.095 -5.245 0.996 1.00 0.49 O ATOM 202 CB GLN A2059 -11.313 -5.262 1.597 1.00 0.57 C ATOM 203 CG GLN A2059 -12.666 -5.606 0.993 1.00 0.72 C ATOM 204 CD GLN A2059 -13.753 -4.604 1.348 1.00 1.02 C ATOM 205 OE1 GLN A2059 -13.397 -3.330 1.442 1.00 1.50 O flip ATOM 206 NE2 GLN A2059 -14.916 -4.968 1.505 1.00 1.19 N flip ATOM 0 H GLN A2059 -11.404 -7.569 2.460 1.00 0.54 H new ATOM 0 HA GLN A2059 -10.182 -6.458 0.222 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -11.422 -5.164 2.677 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -10.993 -4.291 1.219 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.570 -5.659 -0.091 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -12.968 -6.596 1.335 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -15.156 -5.956 1.426 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -15.641 -4.282 1.714 1.00 1.19 H new ATOM 215 N GLN A2060 -8.628 -5.925 3.074 1.00 0.44 N ATOM 216 CA GLN A2060 -7.344 -5.537 3.638 1.00 0.42 C ATOM 217 C GLN A2060 -6.231 -6.319 2.986 1.00 0.39 C ATOM 218 O GLN A2060 -5.340 -5.738 2.405 1.00 0.37 O ATOM 219 CB GLN A2060 -7.291 -5.782 5.143 1.00 0.45 C ATOM 220 CG GLN A2060 -8.431 -5.160 5.915 1.00 0.50 C ATOM 221 CD GLN A2060 -8.407 -5.516 7.390 1.00 0.60 C ATOM 222 OE1 GLN A2060 -7.221 -5.728 7.937 1.00 0.78 O flip ATOM 223 NE2 GLN A2060 -9.452 -5.599 8.034 1.00 0.95 N flip ATOM 0 H GLN A2060 -9.290 -6.310 3.748 1.00 0.44 H new ATOM 0 HA GLN A2060 -7.220 -4.470 3.450 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.289 -6.857 5.324 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -6.350 -5.391 5.530 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -8.388 -4.076 5.807 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -9.377 -5.486 5.483 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -10.348 -5.428 7.577 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -9.423 -5.838 9.025 1.00 0.95 H new ATOM 232 N GLN A2061 -6.295 -7.637 3.084 1.00 0.41 N ATOM 233 CA GLN A2061 -5.286 -8.504 2.484 1.00 0.42 C ATOM 234 C GLN A2061 -5.098 -8.193 1.006 1.00 0.43 C ATOM 235 O GLN A2061 -3.993 -8.274 0.478 1.00 0.41 O ATOM 236 CB GLN A2061 -5.690 -9.948 2.662 1.00 0.51 C ATOM 237 CG GLN A2061 -5.714 -10.369 4.115 1.00 0.56 C ATOM 238 CD GLN A2061 -6.301 -11.750 4.319 1.00 0.67 C ATOM 239 OE1 GLN A2061 -6.202 -12.617 3.450 1.00 1.03 O ATOM 240 NE2 GLN A2061 -6.913 -11.965 5.472 1.00 1.32 N ATOM 0 H GLN A2061 -7.038 -8.135 3.575 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.336 -8.324 2.987 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -6.677 -10.102 2.226 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -4.997 -10.586 2.114 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -4.698 -10.349 4.510 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.293 -9.645 4.688 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -6.972 -11.219 6.165 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -7.325 -12.877 5.668 1.00 1.32 H new ATOM 249 N THR A2062 -6.192 -7.849 0.353 1.00 0.49 N ATOM 250 CA THR A2062 -6.163 -7.371 -1.021 1.00 0.55 C ATOM 251 C THR A2062 -5.194 -6.197 -1.182 1.00 0.49 C ATOM 252 O THR A2062 -4.266 -6.244 -1.991 1.00 0.48 O ATOM 253 CB THR A2062 -7.561 -6.917 -1.466 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.463 -8.033 -1.467 1.00 0.73 O ATOM 255 CG2 THR A2062 -7.508 -6.292 -2.849 1.00 0.77 C ATOM 0 H THR A2062 -7.127 -7.892 0.758 1.00 0.49 H new ATOM 0 HA THR A2062 -5.827 -8.201 -1.642 1.00 0.55 H new ATOM 0 HB THR A2062 -7.920 -6.167 -0.761 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.740 -8.231 -0.548 1.00 0.73 H new ATOM 0 HG21 THR A2062 -8.509 -5.977 -3.145 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.846 -5.426 -2.832 1.00 0.77 H new ATOM 0 HG23 THR A2062 -7.131 -7.023 -3.564 1.00 0.77 H new ATOM 263 N LEU A2063 -5.399 -5.162 -0.381 1.00 0.50 N ATOM 264 CA LEU A2063 -4.616 -3.951 -0.481 1.00 0.53 C ATOM 265 C LEU A2063 -3.273 -4.158 0.202 1.00 0.44 C ATOM 266 O LEU A2063 -2.290 -3.482 -0.084 1.00 0.47 O ATOM 267 CB LEU A2063 -5.404 -2.798 0.140 1.00 0.69 C ATOM 268 CG LEU A2063 -5.804 -2.959 1.600 1.00 0.64 C ATOM 269 CD1 LEU A2063 -4.740 -2.401 2.520 1.00 1.32 C ATOM 270 CD2 LEU A2063 -7.137 -2.283 1.850 1.00 1.22 C ATOM 0 H LEU A2063 -6.110 -5.143 0.351 1.00 0.50 H new ATOM 0 HA LEU A2063 -4.419 -3.703 -1.524 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -4.810 -1.889 0.047 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -6.310 -2.648 -0.448 1.00 0.69 H new ATOM 0 HG LEU A2063 -5.904 -4.023 1.815 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -5.052 -2.529 3.557 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -3.802 -2.931 2.355 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -4.599 -1.340 2.312 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -7.415 -2.403 2.897 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -7.056 -1.222 1.616 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -7.900 -2.737 1.217 1.00 1.22 H new ATOM 282 N ALA A2064 -3.266 -5.136 1.085 1.00 0.39 N ATOM 283 CA ALA A2064 -2.077 -5.574 1.783 1.00 0.38 C ATOM 284 C ALA A2064 -1.108 -6.151 0.770 1.00 0.37 C ATOM 285 O ALA A2064 0.092 -5.877 0.781 1.00 0.51 O ATOM 286 CB ALA A2064 -2.464 -6.631 2.810 1.00 0.38 C ATOM 0 H ALA A2064 -4.104 -5.658 1.342 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.604 -4.739 2.299 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.573 -6.966 3.341 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -3.171 -6.205 3.522 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -2.925 -7.479 2.303 1.00 0.38 H new ATOM 292 N THR A2065 -1.683 -6.941 -0.119 1.00 0.28 N ATOM 293 CA THR A2065 -0.973 -7.545 -1.222 1.00 0.28 C ATOM 294 C THR A2065 -0.583 -6.487 -2.255 1.00 0.27 C ATOM 295 O THR A2065 0.478 -6.575 -2.869 1.00 0.25 O ATOM 296 CB THR A2065 -1.859 -8.625 -1.869 1.00 0.36 C ATOM 297 OG1 THR A2065 -2.155 -9.642 -0.902 1.00 0.40 O ATOM 298 CG2 THR A2065 -1.195 -9.252 -3.086 1.00 0.41 C ATOM 0 H THR A2065 -2.674 -7.182 -0.090 1.00 0.28 H new ATOM 0 HA THR A2065 -0.058 -8.005 -0.848 1.00 0.28 H new ATOM 0 HB THR A2065 -2.779 -8.146 -2.205 1.00 0.36 H new ATOM 0 HG1 THR A2065 -2.848 -9.319 -0.289 1.00 0.40 H new ATOM 0 HG21 THR A2065 -1.855 -10.008 -3.511 1.00 0.41 H new ATOM 0 HG22 THR A2065 -0.999 -8.481 -3.831 1.00 0.41 H new ATOM 0 HG23 THR A2065 -0.255 -9.716 -2.789 1.00 0.41 H new ATOM 306 N LEU A2066 -1.443 -5.484 -2.431 1.00 0.29 N ATOM 307 CA LEU A2066 -1.154 -4.370 -3.324 1.00 0.28 C ATOM 308 C LEU A2066 0.115 -3.669 -2.860 1.00 0.23 C ATOM 309 O LEU A2066 1.059 -3.484 -3.629 1.00 0.22 O ATOM 310 CB LEU A2066 -2.312 -3.382 -3.319 1.00 0.32 C ATOM 311 CG LEU A2066 -2.473 -2.519 -4.575 1.00 0.57 C ATOM 312 CD1 LEU A2066 -2.675 -1.063 -4.191 1.00 0.92 C ATOM 313 CD2 LEU A2066 -1.296 -2.656 -5.532 1.00 1.35 C ATOM 0 H LEU A2066 -2.348 -5.423 -1.964 1.00 0.29 H new ATOM 0 HA LEU A2066 -1.016 -4.749 -4.337 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -3.236 -3.939 -3.166 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -2.193 -2.720 -2.462 1.00 0.32 H new ATOM 0 HG LEU A2066 -3.356 -2.881 -5.102 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -2.788 -0.461 -5.093 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -3.571 -0.969 -3.578 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -1.811 -0.712 -3.627 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -1.461 -2.024 -6.405 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -0.380 -2.347 -5.028 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -1.204 -3.695 -5.849 1.00 1.35 H new ATOM 325 N VAL A2067 0.120 -3.304 -1.585 1.00 0.21 N ATOM 326 CA VAL A2067 1.256 -2.642 -0.965 1.00 0.18 C ATOM 327 C VAL A2067 2.521 -3.477 -1.107 1.00 0.16 C ATOM 328 O VAL A2067 3.585 -2.974 -1.472 1.00 0.17 O ATOM 329 CB VAL A2067 0.985 -2.388 0.534 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.238 -1.904 1.241 1.00 0.20 C ATOM 331 CG2 VAL A2067 -0.147 -1.389 0.714 1.00 0.22 C ATOM 0 H VAL A2067 -0.665 -3.459 -0.952 1.00 0.21 H new ATOM 0 HA VAL A2067 1.399 -1.690 -1.476 1.00 0.18 H new ATOM 0 HB VAL A2067 0.686 -3.334 0.985 1.00 0.19 H new ATOM 0 HG11 VAL A2067 2.018 -1.733 2.295 1.00 0.20 H new ATOM 0 HG12 VAL A2067 3.021 -2.657 1.151 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.576 -0.973 0.785 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.321 -1.225 1.777 1.00 0.22 H new ATOM 0 HG22 VAL A2067 0.122 -0.445 0.240 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -1.054 -1.780 0.254 1.00 0.22 H new ATOM 341 N ALA A2068 2.393 -4.757 -0.820 1.00 0.15 N ATOM 342 CA ALA A2068 3.510 -5.674 -0.894 1.00 0.15 C ATOM 343 C ALA A2068 4.026 -5.803 -2.325 1.00 0.14 C ATOM 344 O ALA A2068 5.230 -5.732 -2.566 1.00 0.13 O ATOM 345 CB ALA A2068 3.086 -7.020 -0.337 1.00 0.17 C ATOM 0 H ALA A2068 1.515 -5.188 -0.530 1.00 0.15 H new ATOM 0 HA ALA A2068 4.333 -5.284 -0.295 1.00 0.15 H new ATOM 0 HB1 ALA A2068 3.923 -7.716 -0.390 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.777 -6.903 0.702 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.253 -7.410 -0.922 1.00 0.17 H new ATOM 351 N ALA A2069 3.112 -5.980 -3.268 1.00 0.17 N ATOM 352 CA ALA A2069 3.458 -6.064 -4.679 1.00 0.18 C ATOM 353 C ALA A2069 4.101 -4.762 -5.150 1.00 0.19 C ATOM 354 O ALA A2069 4.949 -4.754 -6.046 1.00 0.21 O ATOM 355 CB ALA A2069 2.220 -6.365 -5.511 1.00 0.23 C ATOM 0 H ALA A2069 2.114 -6.069 -3.078 1.00 0.17 H new ATOM 0 HA ALA A2069 4.175 -6.875 -4.809 1.00 0.18 H new ATOM 0 HB1 ALA A2069 2.495 -6.425 -6.564 1.00 0.23 H new ATOM 0 HB2 ALA A2069 1.791 -7.315 -5.194 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.486 -5.571 -5.372 1.00 0.23 H new ATOM 361 N ALA A2070 3.694 -3.663 -4.522 1.00 0.19 N ATOM 362 CA ALA A2070 4.203 -2.347 -4.854 1.00 0.21 C ATOM 363 C ALA A2070 5.678 -2.256 -4.533 1.00 0.20 C ATOM 364 O ALA A2070 6.473 -1.777 -5.343 1.00 0.23 O ATOM 365 CB ALA A2070 3.448 -1.281 -4.090 1.00 0.24 C ATOM 0 H ALA A2070 3.004 -3.665 -3.771 1.00 0.19 H new ATOM 0 HA ALA A2070 4.061 -2.185 -5.923 1.00 0.21 H new ATOM 0 HB1 ALA A2070 3.842 -0.299 -4.350 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.390 -1.328 -4.349 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.567 -1.448 -3.019 1.00 0.24 H new ATOM 371 N THR A2071 6.053 -2.735 -3.355 1.00 0.18 N ATOM 372 CA THR A2071 7.428 -2.611 -2.932 1.00 0.21 C ATOM 373 C THR A2071 8.244 -3.786 -3.428 1.00 0.21 C ATOM 374 O THR A2071 9.457 -3.707 -3.544 1.00 0.27 O ATOM 375 CB THR A2071 7.564 -2.433 -1.415 1.00 0.22 C ATOM 376 OG1 THR A2071 8.932 -2.293 -1.040 1.00 0.28 O ATOM 377 CG2 THR A2071 6.936 -3.584 -0.665 1.00 0.23 C ATOM 0 H THR A2071 5.434 -3.202 -2.692 1.00 0.18 H new ATOM 0 HA THR A2071 7.824 -1.701 -3.382 1.00 0.21 H new ATOM 0 HB THR A2071 7.031 -1.521 -1.146 1.00 0.22 H new ATOM 0 HG1 THR A2071 8.995 -2.179 -0.069 1.00 0.28 H new ATOM 0 HG21 THR A2071 7.051 -3.425 0.407 1.00 0.23 H new ATOM 0 HG22 THR A2071 5.876 -3.644 -0.912 1.00 0.23 H new ATOM 0 HG23 THR A2071 7.428 -4.515 -0.949 1.00 0.23 H new ATOM 385 N ALA A2072 7.561 -4.864 -3.752 1.00 0.18 N ATOM 386 CA ALA A2072 8.179 -5.971 -4.456 1.00 0.22 C ATOM 387 C ALA A2072 8.930 -5.451 -5.676 1.00 0.26 C ATOM 388 O ALA A2072 10.076 -5.830 -5.932 1.00 0.31 O ATOM 389 CB ALA A2072 7.114 -6.959 -4.873 1.00 0.22 C ATOM 0 H ALA A2072 6.573 -4.999 -3.538 1.00 0.18 H new ATOM 0 HA ALA A2072 8.889 -6.473 -3.798 1.00 0.22 H new ATOM 0 HB1 ALA A2072 7.577 -7.792 -5.402 1.00 0.22 H new ATOM 0 HB2 ALA A2072 6.598 -7.333 -3.989 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.397 -6.466 -5.529 1.00 0.22 H new ATOM 395 N THR A2073 8.269 -4.564 -6.406 1.00 0.27 N ATOM 396 CA THR A2073 8.863 -3.882 -7.539 1.00 0.34 C ATOM 397 C THR A2073 9.998 -2.957 -7.086 1.00 0.37 C ATOM 398 O THR A2073 11.104 -2.991 -7.626 1.00 0.43 O ATOM 399 CB THR A2073 7.789 -3.051 -8.262 1.00 0.38 C ATOM 400 OG1 THR A2073 6.713 -3.903 -8.678 1.00 0.40 O ATOM 401 CG2 THR A2073 8.375 -2.327 -9.460 1.00 0.46 C ATOM 0 H THR A2073 7.301 -4.298 -6.225 1.00 0.27 H new ATOM 0 HA THR A2073 9.272 -4.632 -8.216 1.00 0.34 H new ATOM 0 HB THR A2073 7.408 -2.302 -7.567 1.00 0.38 H new ATOM 0 HG1 THR A2073 6.191 -4.177 -7.895 1.00 0.40 H new ATOM 0 HG21 THR A2073 7.594 -1.747 -9.953 1.00 0.46 H new ATOM 0 HG22 THR A2073 9.169 -1.658 -9.128 1.00 0.46 H new ATOM 0 HG23 THR A2073 8.783 -3.055 -10.161 1.00 0.46 H new ATOM 409 N VAL A2074 9.703 -2.152 -6.075 1.00 0.36 N ATOM 410 CA VAL A2074 10.616 -1.154 -5.555 1.00 0.41 C ATOM 411 C VAL A2074 11.930 -1.757 -5.034 1.00 0.47 C ATOM 412 O VAL A2074 13.010 -1.247 -5.336 1.00 0.56 O ATOM 413 CB VAL A2074 9.877 -0.375 -4.455 1.00 0.38 C ATOM 414 CG1 VAL A2074 10.690 -0.214 -3.187 1.00 0.38 C ATOM 415 CG2 VAL A2074 9.401 0.966 -4.975 1.00 0.37 C ATOM 0 H VAL A2074 8.807 -2.177 -5.588 1.00 0.36 H new ATOM 0 HA VAL A2074 10.913 -0.486 -6.364 1.00 0.41 H new ATOM 0 HB VAL A2074 9.008 -0.974 -4.181 1.00 0.38 H new ATOM 0 HG11 VAL A2074 10.111 0.345 -2.452 1.00 0.38 H new ATOM 0 HG12 VAL A2074 10.935 -1.197 -2.785 1.00 0.38 H new ATOM 0 HG13 VAL A2074 11.610 0.326 -3.411 1.00 0.38 H new ATOM 0 HG21 VAL A2074 8.881 1.501 -4.180 1.00 0.37 H new ATOM 0 HG22 VAL A2074 10.258 1.553 -5.306 1.00 0.37 H new ATOM 0 HG23 VAL A2074 8.722 0.811 -5.813 1.00 0.37 H new ATOM 425 N LEU A2075 11.840 -2.839 -4.260 1.00 0.43 N ATOM 426 CA LEU A2075 13.014 -3.444 -3.647 1.00 0.52 C ATOM 427 C LEU A2075 13.811 -4.247 -4.668 1.00 0.60 C ATOM 428 O LEU A2075 15.031 -4.360 -4.569 1.00 0.74 O ATOM 429 CB LEU A2075 12.590 -4.345 -2.492 1.00 0.49 C ATOM 430 CG LEU A2075 11.510 -3.763 -1.578 1.00 0.44 C ATOM 431 CD1 LEU A2075 11.011 -4.816 -0.610 1.00 0.46 C ATOM 432 CD2 LEU A2075 12.016 -2.545 -0.821 1.00 0.52 C ATOM 0 H LEU A2075 10.963 -3.312 -4.045 1.00 0.43 H new ATOM 0 HA LEU A2075 13.652 -2.646 -3.268 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.228 -5.288 -2.901 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.469 -4.575 -1.890 1.00 0.49 H new ATOM 0 HG LEU A2075 10.681 -3.442 -2.209 1.00 0.44 H new ATOM 0 HD11 LEU A2075 10.243 -4.385 0.033 1.00 0.46 H new ATOM 0 HD12 LEU A2075 10.590 -5.652 -1.168 1.00 0.46 H new ATOM 0 HD13 LEU A2075 11.840 -5.169 0.003 1.00 0.46 H new ATOM 0 HD21 LEU A2075 11.222 -2.158 -0.182 1.00 0.52 H new ATOM 0 HD22 LEU A2075 12.871 -2.828 -0.207 1.00 0.52 H new ATOM 0 HD23 LEU A2075 12.318 -1.775 -1.531 1.00 0.52 H new ATOM 444 N GLY A2076 13.113 -4.811 -5.648 1.00 0.57 N ATOM 445 CA GLY A2076 13.790 -5.513 -6.720 1.00 0.67 C ATOM 446 C GLY A2076 13.501 -7.004 -6.759 1.00 0.65 C ATOM 447 O GLY A2076 14.420 -7.813 -6.874 1.00 0.93 O ATOM 0 H GLY A2076 12.096 -4.794 -5.718 1.00 0.57 H new ATOM 0 HA2 GLY A2076 13.497 -5.071 -7.672 1.00 0.67 H new ATOM 0 HA3 GLY A2076 14.865 -5.364 -6.617 1.00 0.67 H new ATOM 451 N HIS A2077 12.230 -7.384 -6.666 1.00 0.51 N ATOM 452 CA HIS A2077 11.853 -8.791 -6.824 1.00 0.66 C ATOM 453 C HIS A2077 10.572 -8.964 -7.626 1.00 0.68 C ATOM 454 O HIS A2077 10.290 -10.064 -8.098 1.00 0.97 O ATOM 455 CB HIS A2077 11.704 -9.546 -5.492 1.00 0.81 C ATOM 456 CG HIS A2077 11.447 -8.737 -4.264 1.00 0.50 C ATOM 457 ND1 HIS A2077 10.287 -8.856 -3.542 1.00 0.54 N ATOM 458 CD2 HIS A2077 12.237 -7.887 -3.565 1.00 0.74 C ATOM 459 CE1 HIS A2077 10.374 -8.124 -2.458 1.00 0.61 C ATOM 460 NE2 HIS A2077 11.546 -7.524 -2.441 1.00 0.80 N ATOM 0 H HIS A2077 11.451 -6.750 -6.485 1.00 0.51 H new ATOM 0 HA HIS A2077 12.689 -9.227 -7.371 1.00 0.66 H new ATOM 0 HB2 HIS A2077 10.888 -10.261 -5.600 1.00 0.81 H new ATOM 0 HB3 HIS A2077 12.614 -10.123 -5.330 1.00 0.81 H new ATOM 0 HD1 HIS A2077 9.483 -9.425 -3.807 1.00 0.54 H new ATOM 0 HD2 HIS A2077 13.227 -7.557 -3.843 1.00 0.74 H new ATOM 0 HE1 HIS A2077 9.609 -8.029 -1.702 1.00 0.61 H new ATOM 469 N HIS A2078 9.801 -7.890 -7.762 1.00 0.62 N ATOM 470 CA HIS A2078 8.511 -7.913 -8.467 1.00 0.69 C ATOM 471 C HIS A2078 7.435 -8.679 -7.698 1.00 0.80 C ATOM 472 O HIS A2078 6.280 -8.260 -7.684 1.00 1.56 O ATOM 473 CB HIS A2078 8.637 -8.478 -9.884 1.00 0.81 C ATOM 474 CG HIS A2078 9.007 -7.451 -10.910 1.00 0.88 C ATOM 475 ND1 HIS A2078 8.087 -6.603 -11.486 1.00 0.93 N ATOM 476 CD2 HIS A2078 10.200 -7.138 -11.463 1.00 0.96 C ATOM 477 CE1 HIS A2078 8.698 -5.815 -12.349 1.00 1.03 C ATOM 478 NE2 HIS A2078 9.981 -6.117 -12.354 1.00 1.05 N ATOM 0 H HIS A2078 10.048 -6.974 -7.388 1.00 0.62 H new ATOM 0 HA HIS A2078 8.199 -6.871 -8.536 1.00 0.69 H new ATOM 0 HB2 HIS A2078 9.388 -9.268 -9.886 1.00 0.81 H new ATOM 0 HB3 HIS A2078 7.691 -8.938 -10.168 1.00 0.81 H new ATOM 0 HD2 HIS A2078 11.149 -7.605 -11.244 1.00 0.96 H new ATOM 0 HE1 HIS A2078 8.227 -5.051 -12.950 1.00 1.03 H new ATOM 0 HE2 HIS A2078 10.695 -5.666 -12.926 1.00 1.05 H new ATOM 487 N THR A2079 7.793 -9.789 -7.059 1.00 0.64 N ATOM 488 CA THR A2079 6.807 -10.540 -6.301 1.00 0.67 C ATOM 489 C THR A2079 6.740 -10.085 -4.843 1.00 0.44 C ATOM 490 O THR A2079 7.759 -9.783 -4.208 1.00 0.54 O ATOM 491 CB THR A2079 7.014 -12.067 -6.332 1.00 1.02 C ATOM 492 OG1 THR A2079 6.218 -12.714 -5.333 1.00 1.82 O ATOM 493 CG2 THR A2079 8.449 -12.401 -6.092 1.00 0.59 C ATOM 0 H THR A2079 8.736 -10.178 -7.051 1.00 0.64 H new ATOM 0 HA THR A2079 5.865 -10.324 -6.805 1.00 0.67 H new ATOM 0 HB THR A2079 6.710 -12.420 -7.317 1.00 1.02 H new ATOM 0 HG1 THR A2079 6.802 -13.083 -4.638 1.00 1.82 H new ATOM 0 HG21 THR A2079 8.580 -13.483 -6.117 1.00 0.59 H new ATOM 0 HG22 THR A2079 9.064 -11.943 -6.867 1.00 0.59 H new ATOM 0 HG23 THR A2079 8.753 -12.021 -5.117 1.00 0.59 H new ATOM 501 N PRO A2080 5.519 -10.059 -4.309 1.00 0.29 N ATOM 502 CA PRO A2080 5.197 -9.626 -2.950 1.00 0.32 C ATOM 503 C PRO A2080 5.255 -10.767 -1.943 1.00 0.45 C ATOM 504 O PRO A2080 5.024 -10.575 -0.748 1.00 0.51 O ATOM 505 CB PRO A2080 3.747 -9.148 -3.076 1.00 0.39 C ATOM 506 CG PRO A2080 3.279 -9.562 -4.436 1.00 0.39 C ATOM 507 CD PRO A2080 4.325 -10.480 -5.006 1.00 0.32 C ATOM 0 HA PRO A2080 5.901 -8.875 -2.591 1.00 0.32 H new ATOM 0 HB2 PRO A2080 3.124 -9.592 -2.300 1.00 0.39 H new ATOM 0 HB3 PRO A2080 3.683 -8.066 -2.957 1.00 0.39 H new ATOM 0 HG2 PRO A2080 2.316 -10.068 -4.374 1.00 0.39 H new ATOM 0 HG3 PRO A2080 3.141 -8.691 -5.077 1.00 0.39 H new ATOM 0 HD2 PRO A2080 4.092 -11.528 -4.817 1.00 0.32 H new ATOM 0 HD3 PRO A2080 4.422 -10.365 -6.085 1.00 0.32 H new ATOM 515 N GLU A2081 5.576 -11.949 -2.436 1.00 0.53 N ATOM 516 CA GLU A2081 5.581 -13.165 -1.634 1.00 0.64 C ATOM 517 C GLU A2081 6.695 -13.120 -0.588 1.00 0.56 C ATOM 518 O GLU A2081 6.750 -13.946 0.328 1.00 0.70 O ATOM 519 CB GLU A2081 5.719 -14.384 -2.575 1.00 0.84 C ATOM 520 CG GLU A2081 7.127 -14.975 -2.755 1.00 0.93 C ATOM 521 CD GLU A2081 8.211 -13.982 -3.135 1.00 1.28 C ATOM 522 OE1 GLU A2081 7.883 -12.797 -3.353 1.00 1.54 O ATOM 523 OE2 GLU A2081 9.385 -14.373 -3.222 1.00 1.45 O ATOM 0 H GLU A2081 5.843 -12.096 -3.409 1.00 0.53 H new ATOM 0 HA GLU A2081 4.642 -13.252 -1.087 1.00 0.64 H new ATOM 0 HB2 GLU A2081 5.066 -15.174 -2.203 1.00 0.84 H new ATOM 0 HB3 GLU A2081 5.345 -14.097 -3.558 1.00 0.84 H new ATOM 0 HG2 GLU A2081 7.418 -15.465 -1.826 1.00 0.93 H new ATOM 0 HG3 GLU A2081 7.082 -15.748 -3.522 1.00 0.93 H new ATOM 530 N SER A2082 7.564 -12.132 -0.734 1.00 0.43 N ATOM 531 CA SER A2082 8.730 -11.981 0.106 1.00 0.43 C ATOM 532 C SER A2082 8.651 -10.676 0.907 1.00 0.33 C ATOM 533 O SER A2082 9.658 -10.178 1.413 1.00 0.38 O ATOM 534 CB SER A2082 9.982 -12.029 -0.787 1.00 0.54 C ATOM 535 OG SER A2082 11.180 -11.835 -0.049 1.00 0.63 O ATOM 0 H SER A2082 7.474 -11.408 -1.447 1.00 0.43 H new ATOM 0 HA SER A2082 8.781 -12.793 0.832 1.00 0.43 H new ATOM 0 HB2 SER A2082 10.024 -12.991 -1.297 1.00 0.54 H new ATOM 0 HB3 SER A2082 9.905 -11.262 -1.558 1.00 0.54 H new ATOM 0 HG SER A2082 11.024 -11.177 0.661 1.00 0.63 H new ATOM 541 N ILE A2083 7.445 -10.128 1.022 1.00 0.25 N ATOM 542 CA ILE A2083 7.230 -8.884 1.758 1.00 0.17 C ATOM 543 C ILE A2083 6.681 -9.171 3.150 1.00 0.15 C ATOM 544 O ILE A2083 5.544 -9.628 3.295 1.00 0.22 O ATOM 545 CB ILE A2083 6.240 -7.960 1.019 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.666 -7.778 -0.435 1.00 0.18 C ATOM 547 CG2 ILE A2083 6.143 -6.603 1.712 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.891 -6.917 -0.604 1.00 0.22 C ATOM 0 H ILE A2083 6.599 -10.526 0.614 1.00 0.25 H new ATOM 0 HA ILE A2083 8.196 -8.386 1.836 1.00 0.17 H new ATOM 0 HB ILE A2083 5.256 -8.429 1.042 1.00 0.13 H new ATOM 0 HG12 ILE A2083 6.858 -8.757 -0.873 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.841 -7.335 -0.993 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.439 -5.969 1.173 1.00 0.12 H new ATOM 0 HG22 ILE A2083 5.796 -6.741 2.736 1.00 0.12 H new ATOM 0 HG23 ILE A2083 7.124 -6.129 1.722 1.00 0.12 H new ATOM 0 HD11 ILE A2083 8.133 -6.833 -1.663 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.697 -5.925 -0.196 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.730 -7.369 -0.075 1.00 0.22 H new ATOM 560 N SER A2084 7.490 -8.907 4.164 1.00 0.14 N ATOM 561 CA SER A2084 7.073 -9.101 5.544 1.00 0.14 C ATOM 562 C SER A2084 6.371 -7.850 6.069 1.00 0.12 C ATOM 563 O SER A2084 6.993 -6.798 6.211 1.00 0.12 O ATOM 564 CB SER A2084 8.288 -9.425 6.411 1.00 0.19 C ATOM 565 OG SER A2084 8.996 -10.537 5.886 1.00 0.28 O ATOM 0 H SER A2084 8.442 -8.557 4.057 1.00 0.14 H new ATOM 0 HA SER A2084 6.372 -9.935 5.586 1.00 0.14 H new ATOM 0 HB2 SER A2084 8.947 -8.558 6.461 1.00 0.19 H new ATOM 0 HB3 SER A2084 7.967 -9.640 7.430 1.00 0.19 H new ATOM 0 HG SER A2084 9.772 -10.728 6.453 1.00 0.28 H new ATOM 571 N PRO A2085 5.063 -7.953 6.359 1.00 0.12 N ATOM 572 CA PRO A2085 4.263 -6.818 6.825 1.00 0.12 C ATOM 573 C PRO A2085 4.697 -6.313 8.182 1.00 0.12 C ATOM 574 O PRO A2085 4.538 -5.133 8.494 1.00 0.13 O ATOM 575 CB PRO A2085 2.841 -7.366 6.917 1.00 0.15 C ATOM 576 CG PRO A2085 2.982 -8.849 6.947 1.00 0.15 C ATOM 577 CD PRO A2085 4.265 -9.181 6.240 1.00 0.14 C ATOM 0 HA PRO A2085 4.367 -5.971 6.147 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.338 -7.002 7.813 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.242 -7.047 6.064 1.00 0.15 H new ATOM 0 HG2 PRO A2085 3.002 -9.214 7.974 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.135 -9.327 6.455 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.768 -10.030 6.703 1.00 0.14 H new ATOM 0 HD3 PRO A2085 4.090 -9.444 5.197 1.00 0.14 H new ATOM 585 N ALA A2086 5.227 -7.213 8.990 1.00 0.11 N ATOM 586 CA ALA A2086 5.659 -6.854 10.329 1.00 0.12 C ATOM 587 C ALA A2086 6.950 -6.048 10.293 1.00 0.11 C ATOM 588 O ALA A2086 7.191 -5.203 11.158 1.00 0.14 O ATOM 589 CB ALA A2086 5.840 -8.098 11.179 1.00 0.14 C ATOM 0 H ALA A2086 5.368 -8.193 8.745 1.00 0.11 H new ATOM 0 HA ALA A2086 4.884 -6.232 10.776 1.00 0.12 H new ATOM 0 HB1 ALA A2086 6.164 -7.811 12.179 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.894 -8.635 11.244 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.593 -8.743 10.725 1.00 0.14 H new ATOM 595 N THR A2087 7.778 -6.309 9.294 1.00 0.10 N ATOM 596 CA THR A2087 8.995 -5.552 9.108 1.00 0.11 C ATOM 597 C THR A2087 8.660 -4.205 8.513 1.00 0.10 C ATOM 598 O THR A2087 7.709 -4.062 7.748 1.00 0.10 O ATOM 599 CB THR A2087 9.975 -6.266 8.165 1.00 0.14 C ATOM 600 OG1 THR A2087 10.218 -7.604 8.624 1.00 0.16 O ATOM 601 CG2 THR A2087 11.294 -5.505 8.055 1.00 0.16 C ATOM 0 H THR A2087 7.625 -7.042 8.601 1.00 0.10 H new ATOM 0 HA THR A2087 9.468 -5.445 10.084 1.00 0.11 H new ATOM 0 HB THR A2087 9.521 -6.302 7.175 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.842 -8.050 8.015 1.00 0.16 H new ATOM 0 HG21 THR A2087 11.965 -6.036 7.381 1.00 0.16 H new ATOM 0 HG22 THR A2087 11.105 -4.505 7.666 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.754 -5.430 9.040 1.00 0.16 H new ATOM 609 N ALA A2088 9.450 -3.229 8.862 1.00 0.12 N ATOM 610 CA ALA A2088 9.249 -1.888 8.372 1.00 0.12 C ATOM 611 C ALA A2088 9.894 -1.741 7.016 1.00 0.11 C ATOM 612 O ALA A2088 10.948 -2.323 6.761 1.00 0.12 O ATOM 613 CB ALA A2088 9.799 -0.866 9.345 1.00 0.15 C ATOM 0 H ALA A2088 10.247 -3.335 9.490 1.00 0.12 H new ATOM 0 HA ALA A2088 8.179 -1.706 8.276 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.634 0.137 8.951 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.291 -0.967 10.304 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.868 -1.031 9.481 1.00 0.15 H new ATOM 619 N PHE A2089 9.248 -0.981 6.151 1.00 0.10 N ATOM 620 CA PHE A2089 9.745 -0.749 4.798 1.00 0.09 C ATOM 621 C PHE A2089 11.218 -0.370 4.795 1.00 0.09 C ATOM 622 O PHE A2089 11.973 -0.788 3.918 1.00 0.12 O ATOM 623 CB PHE A2089 8.944 0.356 4.129 1.00 0.09 C ATOM 624 CG PHE A2089 7.630 -0.098 3.583 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.579 -0.975 2.518 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.447 0.351 4.138 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.370 -1.399 2.018 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.233 -0.068 3.639 1.00 0.12 C ATOM 629 CZ PHE A2089 5.196 -0.933 2.564 1.00 0.10 C ATOM 0 H PHE A2089 8.369 -0.508 6.360 1.00 0.10 H new ATOM 0 HA PHE A2089 9.630 -1.681 4.245 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.771 1.154 4.851 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.536 0.782 3.319 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.497 -1.331 2.074 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.474 1.037 4.971 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.342 -2.099 1.196 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.314 0.279 4.087 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.247 -1.244 2.152 1.00 0.10 H new ATOM 639 N LYS A2090 11.604 0.439 5.768 1.00 0.12 N ATOM 640 CA LYS A2090 12.989 0.795 5.982 1.00 0.16 C ATOM 641 C LYS A2090 13.891 -0.431 5.934 1.00 0.17 C ATOM 642 O LYS A2090 14.758 -0.547 5.063 1.00 0.20 O ATOM 643 CB LYS A2090 13.126 1.460 7.340 1.00 0.21 C ATOM 644 CG LYS A2090 14.543 1.854 7.664 1.00 0.29 C ATOM 645 CD LYS A2090 14.984 2.998 6.790 1.00 0.38 C ATOM 646 CE LYS A2090 14.332 4.293 7.220 1.00 1.54 C ATOM 647 NZ LYS A2090 14.899 5.470 6.508 1.00 1.69 N ATOM 0 H LYS A2090 10.959 0.867 6.432 1.00 0.12 H new ATOM 0 HA LYS A2090 13.295 1.476 5.188 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.493 2.347 7.369 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.759 0.781 8.109 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.616 2.141 8.713 1.00 0.29 H new ATOM 0 HG3 LYS A2090 15.206 1.001 7.519 1.00 0.29 H new ATOM 0 HD2 LYS A2090 16.068 3.100 6.838 1.00 0.38 H new ATOM 0 HD3 LYS A2090 14.729 2.786 5.752 1.00 0.38 H new ATOM 0 HE2 LYS A2090 13.260 4.238 7.032 1.00 1.54 H new ATOM 0 HE3 LYS A2090 14.461 4.424 8.294 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 14.423 6.335 6.834 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 15.917 5.539 6.708 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 14.754 5.360 5.484 1.00 1.69 H new ATOM 661 N ASP A2091 13.671 -1.340 6.877 1.00 0.17 N ATOM 662 CA ASP A2091 14.449 -2.574 6.970 1.00 0.20 C ATOM 663 C ASP A2091 14.352 -3.382 5.678 1.00 0.20 C ATOM 664 O ASP A2091 15.296 -4.063 5.280 1.00 0.32 O ATOM 665 CB ASP A2091 13.956 -3.420 8.145 1.00 0.24 C ATOM 666 CG ASP A2091 14.815 -4.647 8.392 1.00 1.23 C ATOM 667 OD1 ASP A2091 14.640 -5.661 7.686 1.00 2.27 O ATOM 668 OD2 ASP A2091 15.658 -4.607 9.312 1.00 1.15 O ATOM 0 H ASP A2091 12.953 -1.245 7.596 1.00 0.17 H new ATOM 0 HA ASP A2091 15.493 -2.303 7.131 1.00 0.20 H new ATOM 0 HB2 ASP A2091 13.940 -2.807 9.046 1.00 0.24 H new ATOM 0 HB3 ASP A2091 12.930 -3.734 7.955 1.00 0.24 H new ATOM 673 N LEU A2092 13.206 -3.276 5.022 1.00 0.16 N ATOM 674 CA LEU A2092 12.933 -4.020 3.800 1.00 0.18 C ATOM 675 C LEU A2092 13.702 -3.467 2.600 1.00 0.19 C ATOM 676 O LEU A2092 13.804 -4.128 1.569 1.00 0.24 O ATOM 677 CB LEU A2092 11.429 -4.011 3.535 1.00 0.17 C ATOM 678 CG LEU A2092 10.613 -4.717 4.616 1.00 0.19 C ATOM 679 CD1 LEU A2092 9.127 -4.483 4.446 1.00 0.18 C ATOM 680 CD2 LEU A2092 10.910 -6.199 4.596 1.00 0.23 C ATOM 0 H LEU A2092 12.440 -2.673 5.321 1.00 0.16 H new ATOM 0 HA LEU A2092 13.276 -5.045 3.939 1.00 0.18 H new ATOM 0 HB2 LEU A2092 11.090 -2.979 3.452 1.00 0.17 H new ATOM 0 HB3 LEU A2092 11.235 -4.489 2.575 1.00 0.17 H new ATOM 0 HG LEU A2092 10.903 -4.297 5.579 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.584 -5.003 5.236 1.00 0.18 H new ATOM 0 HD12 LEU A2092 8.918 -3.415 4.504 1.00 0.18 H new ATOM 0 HD13 LEU A2092 8.808 -4.863 3.476 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.325 -6.698 5.369 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.648 -6.610 3.621 1.00 0.23 H new ATOM 0 HD23 LEU A2092 11.972 -6.360 4.784 1.00 0.23 H new ATOM 692 N GLY A2093 14.240 -2.260 2.730 1.00 0.16 N ATOM 693 CA GLY A2093 15.069 -1.714 1.671 1.00 0.18 C ATOM 694 C GLY A2093 14.552 -0.405 1.109 1.00 0.15 C ATOM 695 O GLY A2093 15.151 0.158 0.190 1.00 0.20 O ATOM 0 H GLY A2093 14.119 -1.654 3.542 1.00 0.16 H new ATOM 0 HA2 GLY A2093 16.078 -1.562 2.053 1.00 0.18 H new ATOM 0 HA3 GLY A2093 15.140 -2.443 0.864 1.00 0.18 H new ATOM 699 N ILE A2094 13.446 0.085 1.649 1.00 0.13 N ATOM 700 CA ILE A2094 12.851 1.317 1.170 1.00 0.12 C ATOM 701 C ILE A2094 13.718 2.538 1.466 1.00 0.12 C ATOM 702 O ILE A2094 14.187 2.739 2.591 1.00 0.16 O ATOM 703 CB ILE A2094 11.440 1.491 1.766 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.450 0.668 0.946 1.00 0.18 C ATOM 705 CG2 ILE A2094 11.027 2.955 1.822 1.00 0.18 C ATOM 706 CD1 ILE A2094 10.040 1.331 -0.345 1.00 0.32 C ATOM 0 H ILE A2094 12.944 -0.355 2.420 1.00 0.13 H new ATOM 0 HA ILE A2094 12.776 1.242 0.085 1.00 0.12 H new ATOM 0 HB ILE A2094 11.445 1.132 2.795 1.00 0.12 H new ATOM 0 HG12 ILE A2094 10.894 -0.302 0.722 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.560 0.480 1.547 1.00 0.18 H new ATOM 0 HG21 ILE A2094 10.027 3.035 2.248 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.731 3.508 2.443 1.00 0.18 H new ATOM 0 HG23 ILE A2094 11.027 3.372 0.815 1.00 0.18 H new ATOM 0 HD11 ILE A2094 9.336 0.690 -0.876 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.567 2.289 -0.128 1.00 0.32 H new ATOM 0 HD13 ILE A2094 10.921 1.494 -0.966 1.00 0.32 H new ATOM 718 N ASP A2095 13.940 3.333 0.427 1.00 0.15 N ATOM 719 CA ASP A2095 14.602 4.620 0.557 1.00 0.19 C ATOM 720 C ASP A2095 13.541 5.705 0.465 1.00 0.16 C ATOM 721 O ASP A2095 12.412 5.403 0.104 1.00 0.17 O ATOM 722 CB ASP A2095 15.644 4.806 -0.552 1.00 0.28 C ATOM 723 CG ASP A2095 16.488 6.052 -0.370 1.00 1.04 C ATOM 724 OD1 ASP A2095 17.530 5.966 0.312 1.00 1.23 O ATOM 725 OD2 ASP A2095 16.121 7.116 -0.914 1.00 1.86 O ATOM 0 H ASP A2095 13.666 3.102 -0.528 1.00 0.15 H new ATOM 0 HA ASP A2095 15.121 4.676 1.514 1.00 0.19 H new ATOM 0 HB2 ASP A2095 16.296 3.933 -0.580 1.00 0.28 H new ATOM 0 HB3 ASP A2095 15.136 4.855 -1.515 1.00 0.28 H new ATOM 730 N SER A2096 13.874 6.942 0.777 1.00 0.19 N ATOM 731 CA SER A2096 12.894 8.020 0.726 1.00 0.20 C ATOM 732 C SER A2096 12.304 8.155 -0.683 1.00 0.17 C ATOM 733 O SER A2096 11.131 8.501 -0.851 1.00 0.20 O ATOM 734 CB SER A2096 13.540 9.331 1.167 1.00 0.26 C ATOM 735 OG SER A2096 12.575 10.346 1.381 1.00 1.32 O ATOM 0 H SER A2096 14.809 7.229 1.067 1.00 0.19 H new ATOM 0 HA SER A2096 12.078 7.782 1.409 1.00 0.20 H new ATOM 0 HB2 SER A2096 14.105 9.167 2.085 1.00 0.26 H new ATOM 0 HB3 SER A2096 14.251 9.659 0.409 1.00 0.26 H new ATOM 0 HG SER A2096 11.931 10.048 2.056 1.00 1.32 H new ATOM 741 N LEU A2097 13.113 7.847 -1.693 1.00 0.17 N ATOM 742 CA LEU A2097 12.675 7.915 -3.081 1.00 0.19 C ATOM 743 C LEU A2097 11.654 6.844 -3.345 1.00 0.18 C ATOM 744 O LEU A2097 10.562 7.115 -3.821 1.00 0.24 O ATOM 745 CB LEU A2097 13.855 7.710 -4.017 1.00 0.23 C ATOM 746 CG LEU A2097 15.047 8.624 -3.766 1.00 1.07 C ATOM 747 CD1 LEU A2097 16.157 8.325 -4.759 1.00 1.61 C ATOM 748 CD2 LEU A2097 14.636 10.088 -3.845 1.00 1.55 C ATOM 0 H LEU A2097 14.080 7.546 -1.573 1.00 0.17 H new ATOM 0 HA LEU A2097 12.238 8.898 -3.258 1.00 0.19 H new ATOM 0 HB2 LEU A2097 14.187 6.675 -3.936 1.00 0.23 H new ATOM 0 HB3 LEU A2097 13.515 7.856 -5.042 1.00 0.23 H new ATOM 0 HG LEU A2097 15.419 8.434 -2.759 1.00 1.07 H new ATOM 0 HD11 LEU A2097 17.003 8.985 -4.569 1.00 1.61 H new ATOM 0 HD12 LEU A2097 16.474 7.288 -4.649 1.00 1.61 H new ATOM 0 HD13 LEU A2097 15.791 8.487 -5.773 1.00 1.61 H new ATOM 0 HD21 LEU A2097 15.505 10.720 -3.662 1.00 1.55 H new ATOM 0 HD22 LEU A2097 14.235 10.300 -4.836 1.00 1.55 H new ATOM 0 HD23 LEU A2097 13.874 10.293 -3.093 1.00 1.55 H new ATOM 760 N THR A2098 12.012 5.625 -3.030 1.00 0.14 N ATOM 761 CA THR A2098 11.103 4.518 -3.222 1.00 0.15 C ATOM 762 C THR A2098 9.921 4.561 -2.265 1.00 0.16 C ATOM 763 O THR A2098 8.850 4.039 -2.572 1.00 0.17 O ATOM 764 CB THR A2098 11.811 3.168 -3.160 1.00 0.15 C ATOM 765 OG1 THR A2098 12.971 3.248 -2.318 1.00 0.17 O ATOM 766 CG2 THR A2098 12.195 2.757 -4.565 1.00 0.19 C ATOM 0 H THR A2098 12.921 5.372 -2.641 1.00 0.14 H new ATOM 0 HA THR A2098 10.706 4.632 -4.231 1.00 0.15 H new ATOM 0 HB THR A2098 11.143 2.420 -2.733 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.413 2.374 -2.287 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.703 1.793 -4.536 1.00 0.19 H new ATOM 0 HG22 THR A2098 11.298 2.677 -5.179 1.00 0.19 H new ATOM 0 HG23 THR A2098 12.862 3.505 -4.994 1.00 0.19 H new ATOM 774 N ALA A2099 10.112 5.188 -1.115 1.00 0.16 N ATOM 775 CA ALA A2099 9.009 5.481 -0.213 1.00 0.18 C ATOM 776 C ALA A2099 8.002 6.381 -0.916 1.00 0.21 C ATOM 777 O ALA A2099 6.814 6.409 -0.592 1.00 0.24 O ATOM 778 CB ALA A2099 9.524 6.153 1.054 1.00 0.18 C ATOM 0 H ALA A2099 11.023 5.505 -0.783 1.00 0.16 H new ATOM 0 HA ALA A2099 8.521 4.548 0.068 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.687 6.366 1.719 1.00 0.18 H new ATOM 0 HB2 ALA A2099 10.228 5.490 1.557 1.00 0.18 H new ATOM 0 HB3 ALA A2099 10.026 7.085 0.793 1.00 0.18 H new ATOM 784 N LEU A2100 8.500 7.093 -1.908 1.00 0.20 N ATOM 785 CA LEU A2100 7.695 7.982 -2.706 1.00 0.24 C ATOM 786 C LEU A2100 7.138 7.207 -3.901 1.00 0.20 C ATOM 787 O LEU A2100 5.992 7.396 -4.301 1.00 0.21 O ATOM 788 CB LEU A2100 8.563 9.177 -3.140 1.00 0.30 C ATOM 789 CG LEU A2100 8.502 9.553 -4.616 1.00 0.24 C ATOM 790 CD1 LEU A2100 7.214 10.293 -4.924 1.00 1.03 C ATOM 791 CD2 LEU A2100 9.710 10.374 -5.020 1.00 1.15 C ATOM 0 H LEU A2100 9.483 7.067 -2.181 1.00 0.20 H new ATOM 0 HA LEU A2100 6.849 8.370 -2.138 1.00 0.24 H new ATOM 0 HB2 LEU A2100 8.267 10.046 -2.553 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.600 8.958 -2.885 1.00 0.30 H new ATOM 0 HG LEU A2100 8.516 8.634 -5.202 1.00 0.24 H new ATOM 0 HD11 LEU A2100 7.188 10.553 -5.982 1.00 1.03 H new ATOM 0 HD12 LEU A2100 6.362 9.656 -4.686 1.00 1.03 H new ATOM 0 HD13 LEU A2100 7.165 11.203 -4.325 1.00 1.03 H new ATOM 0 HD21 LEU A2100 9.640 10.628 -6.078 1.00 1.15 H new ATOM 0 HD22 LEU A2100 9.742 11.289 -4.428 1.00 1.15 H new ATOM 0 HD23 LEU A2100 10.618 9.796 -4.845 1.00 1.15 H new ATOM 803 N GLU A2101 7.952 6.305 -4.437 1.00 0.21 N ATOM 804 CA GLU A2101 7.565 5.495 -5.586 1.00 0.20 C ATOM 805 C GLU A2101 6.450 4.516 -5.230 1.00 0.17 C ATOM 806 O GLU A2101 5.572 4.246 -6.050 1.00 0.17 O ATOM 807 CB GLU A2101 8.779 4.750 -6.123 1.00 0.23 C ATOM 808 CG GLU A2101 9.948 5.671 -6.401 1.00 0.28 C ATOM 809 CD GLU A2101 11.078 4.995 -7.146 1.00 0.33 C ATOM 810 OE1 GLU A2101 12.229 5.055 -6.667 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.820 4.378 -8.198 1.00 0.45 O ATOM 0 H GLU A2101 8.892 6.115 -4.090 1.00 0.21 H new ATOM 0 HA GLU A2101 7.181 6.160 -6.359 1.00 0.20 H new ATOM 0 HB2 GLU A2101 9.083 3.990 -5.403 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.505 4.229 -7.040 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.599 6.525 -6.982 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.327 6.061 -5.456 1.00 0.28 H new ATOM 818 N LEU A2102 6.486 3.986 -4.011 1.00 0.16 N ATOM 819 CA LEU A2102 5.420 3.129 -3.523 1.00 0.16 C ATOM 820 C LEU A2102 4.086 3.823 -3.611 1.00 0.16 C ATOM 821 O LEU A2102 3.189 3.386 -4.328 1.00 0.21 O ATOM 822 CB LEU A2102 5.658 2.753 -2.073 1.00 0.22 C ATOM 823 CG LEU A2102 6.753 1.739 -1.835 1.00 0.53 C ATOM 824 CD1 LEU A2102 6.579 1.109 -0.475 1.00 1.09 C ATOM 825 CD2 LEU A2102 6.739 0.687 -2.919 1.00 1.13 C ATOM 0 H LEU A2102 7.244 4.137 -3.346 1.00 0.16 H new ATOM 0 HA LEU A2102 5.414 2.236 -4.148 1.00 0.16 H new ATOM 0 HB2 LEU A2102 5.898 3.659 -1.516 1.00 0.22 H new ATOM 0 HB3 LEU A2102 4.728 2.362 -1.660 1.00 0.22 H new ATOM 0 HG LEU A2102 7.719 2.243 -1.865 1.00 0.53 H new ATOM 0 HD11 LEU A2102 7.371 0.379 -0.308 1.00 1.09 H new ATOM 0 HD12 LEU A2102 6.630 1.881 0.293 1.00 1.09 H new ATOM 0 HD13 LEU A2102 5.610 0.611 -0.426 1.00 1.09 H new ATOM 0 HD21 LEU A2102 7.533 -0.036 -2.734 1.00 1.13 H new ATOM 0 HD22 LEU A2102 5.776 0.177 -2.918 1.00 1.13 H new ATOM 0 HD23 LEU A2102 6.898 1.161 -3.888 1.00 1.13 H new ATOM 837 N ARG A2103 3.968 4.897 -2.857 1.00 0.18 N ATOM 838 CA ARG A2103 2.741 5.677 -2.831 1.00 0.25 C ATOM 839 C ARG A2103 2.342 6.116 -4.240 1.00 0.22 C ATOM 840 O ARG A2103 1.161 6.265 -4.529 1.00 0.24 O ATOM 841 CB ARG A2103 2.875 6.882 -1.892 1.00 0.37 C ATOM 842 CG ARG A2103 3.788 7.989 -2.387 1.00 0.72 C ATOM 843 CD ARG A2103 3.015 9.061 -3.144 1.00 0.65 C ATOM 844 NE ARG A2103 3.879 10.154 -3.587 1.00 1.21 N ATOM 845 CZ ARG A2103 3.435 11.374 -3.896 1.00 1.49 C ATOM 846 NH1 ARG A2103 2.139 11.648 -3.845 1.00 1.92 N ATOM 847 NH2 ARG A2103 4.287 12.323 -4.258 1.00 2.11 N ATOM 0 H ARG A2103 4.708 5.253 -2.251 1.00 0.18 H new ATOM 0 HA ARG A2103 1.946 5.040 -2.443 1.00 0.25 H new ATOM 0 HB2 ARG A2103 1.883 7.300 -1.720 1.00 0.37 H new ATOM 0 HB3 ARG A2103 3.245 6.532 -0.928 1.00 0.37 H new ATOM 0 HG2 ARG A2103 4.303 8.442 -1.540 1.00 0.72 H new ATOM 0 HG3 ARG A2103 4.554 7.566 -3.037 1.00 0.72 H new ATOM 0 HD2 ARG A2103 2.527 8.612 -4.009 1.00 0.65 H new ATOM 0 HD3 ARG A2103 2.227 9.459 -2.504 1.00 0.65 H new ATOM 0 HE ARG A2103 4.880 9.974 -3.664 1.00 1.21 H new ATOM 0 HH11 ARG A2103 1.475 10.925 -3.568 1.00 1.92 H new ATOM 0 HH12 ARG A2103 1.806 12.582 -4.082 1.00 1.92 H new ATOM 0 HH21 ARG A2103 5.286 12.122 -4.301 1.00 2.11 H new ATOM 0 HH22 ARG A2103 3.943 13.254 -4.493 1.00 2.11 H new ATOM 861 N ASN A2104 3.333 6.310 -5.108 1.00 0.21 N ATOM 862 CA ASN A2104 3.085 6.622 -6.509 1.00 0.22 C ATOM 863 C ASN A2104 2.264 5.518 -7.168 1.00 0.23 C ATOM 864 O ASN A2104 1.265 5.786 -7.833 1.00 0.29 O ATOM 865 CB ASN A2104 4.410 6.811 -7.256 1.00 0.23 C ATOM 866 CG ASN A2104 4.997 8.200 -7.091 1.00 0.31 C ATOM 867 OD1 ASN A2104 4.282 9.160 -6.802 1.00 0.40 O ATOM 868 ND2 ASN A2104 6.298 8.322 -7.306 1.00 0.36 N ATOM 0 H ASN A2104 4.321 6.255 -4.861 1.00 0.21 H new ATOM 0 HA ASN A2104 2.518 7.552 -6.557 1.00 0.22 H new ATOM 0 HB2 ASN A2104 5.130 6.075 -6.898 1.00 0.23 H new ATOM 0 HB3 ASN A2104 4.253 6.614 -8.316 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.743 9.237 -7.234 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.855 7.501 -7.543 1.00 0.36 H new ATOM 875 N THR A2105 2.683 4.273 -6.963 1.00 0.21 N ATOM 876 CA THR A2105 1.962 3.122 -7.491 1.00 0.24 C ATOM 877 C THR A2105 0.639 2.928 -6.749 1.00 0.22 C ATOM 878 O THR A2105 -0.391 2.643 -7.362 1.00 0.24 O ATOM 879 CB THR A2105 2.811 1.839 -7.364 1.00 0.28 C ATOM 880 OG1 THR A2105 4.104 2.052 -7.941 1.00 0.33 O ATOM 881 CG2 THR A2105 2.140 0.662 -8.053 1.00 0.28 C ATOM 0 H THR A2105 3.522 4.036 -6.433 1.00 0.21 H new ATOM 0 HA THR A2105 1.758 3.313 -8.545 1.00 0.24 H new ATOM 0 HB THR A2105 2.911 1.607 -6.304 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.613 2.675 -7.382 1.00 0.33 H new ATOM 0 HG21 THR A2105 2.763 -0.226 -7.945 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.167 0.480 -7.597 1.00 0.28 H new ATOM 0 HG23 THR A2105 2.008 0.887 -9.111 1.00 0.28 H new ATOM 889 N LEU A2106 0.678 3.099 -5.431 1.00 0.20 N ATOM 890 CA LEU A2106 -0.501 2.934 -4.582 1.00 0.19 C ATOM 891 C LEU A2106 -1.603 3.916 -4.953 1.00 0.18 C ATOM 892 O LEU A2106 -2.708 3.507 -5.285 1.00 0.22 O ATOM 893 CB LEU A2106 -0.125 3.129 -3.110 1.00 0.28 C ATOM 894 CG LEU A2106 0.332 1.878 -2.353 1.00 0.50 C ATOM 895 CD1 LEU A2106 1.374 1.102 -3.139 1.00 1.25 C ATOM 896 CD2 LEU A2106 0.888 2.269 -0.993 1.00 1.47 C ATOM 0 H LEU A2106 1.524 3.355 -4.921 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.875 1.922 -4.738 1.00 0.19 H new ATOM 0 HB2 LEU A2106 0.672 3.871 -3.056 1.00 0.28 H new ATOM 0 HB3 LEU A2106 -0.986 3.548 -2.590 1.00 0.28 H new ATOM 0 HG LEU A2106 -0.535 1.231 -2.218 1.00 0.50 H new ATOM 0 HD11 LEU A2106 1.676 0.221 -2.572 1.00 1.25 H new ATOM 0 HD12 LEU A2106 0.952 0.792 -4.095 1.00 1.25 H new ATOM 0 HD13 LEU A2106 2.243 1.735 -3.315 1.00 1.25 H new ATOM 0 HD21 LEU A2106 1.211 1.374 -0.461 1.00 1.47 H new ATOM 0 HD22 LEU A2106 1.738 2.938 -1.126 1.00 1.47 H new ATOM 0 HD23 LEU A2106 0.114 2.775 -0.416 1.00 1.47 H new ATOM 908 N THR A2107 -1.297 5.209 -4.906 1.00 0.19 N ATOM 909 CA THR A2107 -2.291 6.247 -5.163 1.00 0.27 C ATOM 910 C THR A2107 -2.856 6.109 -6.578 1.00 0.29 C ATOM 911 O THR A2107 -4.001 6.473 -6.847 1.00 0.33 O ATOM 912 CB THR A2107 -1.694 7.663 -4.942 1.00 0.37 C ATOM 913 OG1 THR A2107 -2.728 8.639 -4.834 1.00 0.67 O ATOM 914 CG2 THR A2107 -0.761 8.070 -6.066 1.00 0.44 C ATOM 0 H THR A2107 -0.365 5.564 -4.692 1.00 0.19 H new ATOM 0 HA THR A2107 -3.107 6.117 -4.452 1.00 0.27 H new ATOM 0 HB THR A2107 -1.126 7.616 -4.013 1.00 0.37 H new ATOM 0 HG1 THR A2107 -3.489 8.373 -5.391 1.00 0.67 H new ATOM 0 HG21 THR A2107 -0.367 9.067 -5.869 1.00 0.44 H new ATOM 0 HG22 THR A2107 0.064 7.360 -6.129 1.00 0.44 H new ATOM 0 HG23 THR A2107 -1.308 8.076 -7.009 1.00 0.44 H new ATOM 922 N HIS A2108 -2.041 5.560 -7.467 1.00 0.29 N ATOM 923 CA HIS A2108 -2.446 5.291 -8.838 1.00 0.35 C ATOM 924 C HIS A2108 -3.391 4.097 -8.894 1.00 0.35 C ATOM 925 O HIS A2108 -4.448 4.148 -9.517 1.00 0.47 O ATOM 926 CB HIS A2108 -1.206 5.022 -9.677 1.00 0.38 C ATOM 927 CG HIS A2108 -1.478 4.900 -11.138 1.00 0.61 C ATOM 928 ND1 HIS A2108 -1.682 5.980 -11.964 1.00 0.71 N ATOM 929 CD2 HIS A2108 -1.590 3.807 -11.913 1.00 1.06 C ATOM 930 CE1 HIS A2108 -1.911 5.553 -13.190 1.00 1.01 C ATOM 931 NE2 HIS A2108 -1.861 4.233 -13.188 1.00 1.29 N ATOM 0 H HIS A2108 -1.080 5.289 -7.258 1.00 0.29 H new ATOM 0 HA HIS A2108 -2.975 6.158 -9.234 1.00 0.35 H new ATOM 0 HB2 HIS A2108 -0.490 5.828 -9.517 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.735 4.103 -9.327 1.00 0.38 H new ATOM 0 HD2 HIS A2108 -1.486 2.782 -11.591 1.00 1.06 H new ATOM 0 HE1 HIS A2108 -2.106 6.176 -14.050 1.00 1.01 H new ATOM 0 HE2 HIS A2108 -2.001 3.631 -13.999 1.00 1.29 H new ATOM 940 N ASN A2109 -2.989 3.029 -8.234 1.00 0.27 N ATOM 941 CA ASN A2109 -3.759 1.786 -8.200 1.00 0.28 C ATOM 942 C ASN A2109 -5.082 1.948 -7.457 1.00 0.28 C ATOM 943 O ASN A2109 -6.116 1.441 -7.894 1.00 0.36 O ATOM 944 CB ASN A2109 -2.931 0.684 -7.539 1.00 0.28 C ATOM 945 CG ASN A2109 -2.210 -0.183 -8.550 1.00 0.35 C ATOM 946 OD1 ASN A2109 -2.736 -1.200 -9.000 1.00 0.40 O ATOM 947 ND2 ASN A2109 -1.002 0.213 -8.913 1.00 0.39 N ATOM 0 H ASN A2109 -2.119 2.991 -7.703 1.00 0.27 H new ATOM 0 HA ASN A2109 -3.990 1.516 -9.230 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.202 1.135 -6.866 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.584 0.060 -6.929 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -0.469 -0.332 -9.591 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -0.603 1.063 -8.515 1.00 0.39 H new ATOM 954 N THR A2110 -5.041 2.674 -6.353 1.00 0.25 N ATOM 955 CA THR A2110 -6.184 2.812 -5.466 1.00 0.26 C ATOM 956 C THR A2110 -7.154 3.845 -6.011 1.00 0.27 C ATOM 957 O THR A2110 -8.352 3.810 -5.722 1.00 0.33 O ATOM 958 CB THR A2110 -5.718 3.210 -4.054 1.00 0.27 C ATOM 959 OG1 THR A2110 -4.882 4.372 -4.128 1.00 0.24 O ATOM 960 CG2 THR A2110 -4.950 2.073 -3.398 1.00 0.29 C ATOM 0 H THR A2110 -4.213 3.185 -6.046 1.00 0.25 H new ATOM 0 HA THR A2110 -6.696 1.852 -5.407 1.00 0.26 H new ATOM 0 HB THR A2110 -6.599 3.429 -3.451 1.00 0.27 H new ATOM 0 HG1 THR A2110 -3.961 4.101 -4.326 1.00 0.24 H new ATOM 0 HG21 THR A2110 -4.631 2.377 -2.401 1.00 0.29 H new ATOM 0 HG22 THR A2110 -5.593 1.196 -3.321 1.00 0.29 H new ATOM 0 HG23 THR A2110 -4.075 1.830 -4.001 1.00 0.29 H new ATOM 968 N GLY A2111 -6.621 4.754 -6.819 1.00 0.23 N ATOM 969 CA GLY A2111 -7.436 5.774 -7.437 1.00 0.26 C ATOM 970 C GLY A2111 -7.651 6.963 -6.524 1.00 0.29 C ATOM 971 O GLY A2111 -8.463 7.845 -6.808 1.00 0.36 O ATOM 0 H GLY A2111 -5.630 4.800 -7.056 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -6.961 6.107 -8.360 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -8.402 5.349 -7.711 1.00 0.26 H new ATOM 975 N LEU A2112 -6.922 6.975 -5.424 1.00 0.28 N ATOM 976 CA LEU A2112 -7.010 8.042 -4.444 1.00 0.34 C ATOM 977 C LEU A2112 -5.824 8.965 -4.586 1.00 0.29 C ATOM 978 O LEU A2112 -5.183 9.020 -5.635 1.00 0.29 O ATOM 979 CB LEU A2112 -7.011 7.470 -3.028 1.00 0.43 C ATOM 980 CG LEU A2112 -7.223 5.969 -2.918 1.00 0.33 C ATOM 981 CD1 LEU A2112 -6.590 5.482 -1.642 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.695 5.609 -2.942 1.00 0.47 C ATOM 0 H LEU A2112 -6.251 6.245 -5.184 1.00 0.28 H new ATOM 0 HA LEU A2112 -7.937 8.588 -4.617 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -6.060 7.719 -2.556 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -7.792 7.971 -2.455 1.00 0.43 H new ATOM 0 HG LEU A2112 -6.758 5.486 -3.777 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -6.735 4.406 -1.551 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -5.523 5.704 -1.657 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -7.053 5.983 -0.792 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -8.806 4.528 -2.861 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -9.201 6.089 -2.104 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.138 5.951 -3.878 1.00 0.47 H new ATOM 994 N ASP A2113 -5.559 9.695 -3.526 1.00 0.28 N ATOM 995 CA ASP A2113 -4.436 10.602 -3.470 1.00 0.28 C ATOM 996 C ASP A2113 -3.722 10.437 -2.147 1.00 0.30 C ATOM 997 O ASP A2113 -4.331 10.516 -1.081 1.00 0.35 O ATOM 998 CB ASP A2113 -4.909 12.031 -3.641 1.00 0.34 C ATOM 999 CG ASP A2113 -3.804 13.048 -3.433 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -2.890 13.124 -4.282 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -3.847 13.784 -2.427 1.00 0.43 O ATOM 0 H ASP A2113 -6.120 9.676 -2.674 1.00 0.28 H new ATOM 0 HA ASP A2113 -3.744 10.371 -4.280 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -5.325 12.153 -4.641 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -5.715 12.228 -2.934 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.442 10.189 -2.232 1.00 0.30 N ATOM 1007 CA LEU A2114 -1.644 9.844 -1.072 1.00 0.30 C ATOM 1008 C LEU A2114 -0.376 10.681 -1.024 1.00 0.30 C ATOM 1009 O LEU A2114 0.151 11.081 -2.063 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.291 8.357 -1.123 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.489 7.416 -1.246 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -2.029 5.974 -1.360 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.424 7.593 -0.058 1.00 0.91 C ATOM 0 H LEU A2114 -1.917 10.219 -3.106 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.222 10.050 -0.171 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.624 8.185 -1.968 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -0.736 8.099 -0.221 1.00 0.32 H new ATOM 0 HG LEU A2114 -3.036 7.668 -2.155 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -2.897 5.321 -1.447 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -1.401 5.861 -2.244 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -1.458 5.703 -0.472 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -4.273 6.917 -0.159 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -2.888 7.367 0.864 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -3.782 8.622 -0.027 1.00 0.91 H new ATOM 1025 N PRO A2115 0.121 10.958 0.186 1.00 0.29 N ATOM 1026 CA PRO A2115 1.342 11.741 0.393 1.00 0.31 C ATOM 1027 C PRO A2115 2.601 10.910 0.175 1.00 0.28 C ATOM 1028 O PRO A2115 2.578 9.684 0.298 1.00 0.25 O ATOM 1029 CB PRO A2115 1.235 12.130 1.864 1.00 0.33 C ATOM 1030 CG PRO A2115 0.547 10.968 2.483 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.473 10.527 1.470 1.00 0.30 C ATOM 0 HA PRO A2115 1.421 12.580 -0.299 1.00 0.31 H new ATOM 0 HB2 PRO A2115 2.217 12.297 2.307 1.00 0.33 H new ATOM 0 HB3 PRO A2115 0.665 13.050 1.995 1.00 0.33 H new ATOM 0 HG2 PRO A2115 1.251 10.167 2.707 1.00 0.29 H new ATOM 0 HG3 PRO A2115 0.072 11.247 3.424 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -0.630 9.449 1.500 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.442 10.995 1.643 1.00 0.30 H new ATOM 1039 N PRO A2116 3.727 11.569 -0.132 1.00 0.33 N ATOM 1040 CA PRO A2116 5.018 10.896 -0.251 1.00 0.36 C ATOM 1041 C PRO A2116 5.588 10.550 1.123 1.00 0.34 C ATOM 1042 O PRO A2116 6.692 10.025 1.241 1.00 0.43 O ATOM 1043 CB PRO A2116 5.888 11.929 -0.965 1.00 0.44 C ATOM 1044 CG PRO A2116 5.312 13.244 -0.572 1.00 0.46 C ATOM 1045 CD PRO A2116 3.834 13.019 -0.390 1.00 0.43 C ATOM 0 HA PRO A2116 4.957 9.948 -0.786 1.00 0.36 H new ATOM 0 HB2 PRO A2116 6.931 11.847 -0.660 1.00 0.44 H new ATOM 0 HB3 PRO A2116 5.860 11.791 -2.046 1.00 0.44 H new ATOM 0 HG2 PRO A2116 5.766 13.608 0.349 1.00 0.46 H new ATOM 0 HG3 PRO A2116 5.500 13.996 -1.339 1.00 0.46 H new ATOM 0 HD2 PRO A2116 3.440 13.603 0.441 1.00 0.43 H new ATOM 0 HD3 PRO A2116 3.273 13.310 -1.278 1.00 0.43 H new ATOM 1053 N THR A2117 4.811 10.854 2.157 1.00 0.27 N ATOM 1054 CA THR A2117 5.215 10.606 3.526 1.00 0.24 C ATOM 1055 C THR A2117 4.464 9.425 4.142 1.00 0.17 C ATOM 1056 O THR A2117 4.602 9.165 5.336 1.00 0.15 O ATOM 1057 CB THR A2117 4.986 11.858 4.382 1.00 0.27 C ATOM 1058 OG1 THR A2117 3.666 12.368 4.140 1.00 0.32 O ATOM 1059 CG2 THR A2117 6.015 12.925 4.054 1.00 0.36 C ATOM 0 H THR A2117 3.888 11.278 2.065 1.00 0.27 H new ATOM 0 HA THR A2117 6.276 10.358 3.508 1.00 0.24 H new ATOM 0 HB THR A2117 5.089 11.588 5.433 1.00 0.27 H new ATOM 0 HG1 THR A2117 3.518 13.167 4.688 1.00 0.32 H new ATOM 0 HG21 THR A2117 5.836 13.805 4.671 1.00 0.36 H new ATOM 0 HG22 THR A2117 7.015 12.540 4.253 1.00 0.36 H new ATOM 0 HG23 THR A2117 5.934 13.197 3.002 1.00 0.36 H new ATOM 1067 N LEU A2118 3.661 8.727 3.330 1.00 0.16 N ATOM 1068 CA LEU A2118 2.980 7.505 3.767 1.00 0.16 C ATOM 1069 C LEU A2118 3.886 6.610 4.585 1.00 0.16 C ATOM 1070 O LEU A2118 3.633 6.341 5.758 1.00 0.19 O ATOM 1071 CB LEU A2118 2.543 6.682 2.567 1.00 0.23 C ATOM 1072 CG LEU A2118 1.282 7.120 1.859 1.00 0.33 C ATOM 1073 CD1 LEU A2118 0.963 6.099 0.792 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.140 7.250 2.847 1.00 0.77 C ATOM 0 H LEU A2118 3.467 8.990 2.364 1.00 0.16 H new ATOM 0 HA LEU A2118 2.131 7.833 4.367 1.00 0.16 H new ATOM 0 HB2 LEU A2118 3.357 6.682 1.842 1.00 0.23 H new ATOM 0 HB3 LEU A2118 2.408 5.651 2.894 1.00 0.23 H new ATOM 0 HG LEU A2118 1.427 8.097 1.399 1.00 0.33 H new ATOM 0 HD11 LEU A2118 0.055 6.394 0.266 1.00 0.79 H new ATOM 0 HD12 LEU A2118 1.790 6.042 0.084 1.00 0.79 H new ATOM 0 HD13 LEU A2118 0.814 5.124 1.255 1.00 0.79 H new ATOM 0 HD21 LEU A2118 -0.761 7.566 2.322 1.00 0.77 H new ATOM 0 HD22 LEU A2118 -0.038 6.287 3.326 1.00 0.77 H new ATOM 0 HD23 LEU A2118 0.397 7.990 3.605 1.00 0.77 H new ATOM 1086 N ILE A2119 4.928 6.146 3.919 1.00 0.15 N ATOM 1087 CA ILE A2119 5.874 5.190 4.479 1.00 0.18 C ATOM 1088 C ILE A2119 6.498 5.703 5.776 1.00 0.20 C ATOM 1089 O ILE A2119 6.945 4.923 6.609 1.00 0.28 O ATOM 1090 CB ILE A2119 7.007 4.892 3.477 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.477 4.795 2.037 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.741 3.617 3.862 1.00 0.24 C ATOM 1093 CD1 ILE A2119 5.389 3.766 1.809 1.00 0.20 C ATOM 0 H ILE A2119 5.146 6.424 2.962 1.00 0.15 H new ATOM 0 HA ILE A2119 5.311 4.281 4.690 1.00 0.18 H new ATOM 0 HB ILE A2119 7.709 5.725 3.516 1.00 0.19 H new ATOM 0 HG12 ILE A2119 6.095 5.773 1.743 1.00 0.19 H new ATOM 0 HG13 ILE A2119 7.313 4.567 1.376 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.537 3.424 3.143 1.00 0.24 H new ATOM 0 HG22 ILE A2119 8.171 3.731 4.857 1.00 0.24 H new ATOM 0 HG23 ILE A2119 7.042 2.781 3.863 1.00 0.24 H new ATOM 0 HD11 ILE A2119 5.088 3.781 0.761 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.766 2.776 2.064 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.529 4.000 2.437 1.00 0.20 H new ATOM 1105 N PHE A2120 6.532 7.016 5.935 1.00 0.17 N ATOM 1106 CA PHE A2120 7.138 7.633 7.095 1.00 0.19 C ATOM 1107 C PHE A2120 6.137 7.793 8.237 1.00 0.20 C ATOM 1108 O PHE A2120 6.501 7.724 9.409 1.00 0.26 O ATOM 1109 CB PHE A2120 7.707 8.981 6.682 1.00 0.19 C ATOM 1110 CG PHE A2120 8.901 8.840 5.791 1.00 0.24 C ATOM 1111 CD1 PHE A2120 9.965 8.025 6.139 1.00 0.31 C ATOM 1112 CD2 PHE A2120 8.967 9.556 4.610 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.073 7.926 5.320 1.00 0.37 C ATOM 1114 CE2 PHE A2120 10.065 9.460 3.788 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.102 8.509 4.135 1.00 0.38 C ATOM 0 H PHE A2120 6.141 7.678 5.265 1.00 0.17 H new ATOM 0 HA PHE A2120 7.936 6.989 7.466 1.00 0.19 H new ATOM 0 HB2 PHE A2120 6.937 9.556 6.167 1.00 0.19 H new ATOM 0 HB3 PHE A2120 7.985 9.545 7.573 1.00 0.19 H new ATOM 0 HD1 PHE A2120 9.928 7.461 7.060 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.146 10.199 4.330 1.00 0.27 H new ATOM 0 HE1 PHE A2120 11.931 7.362 5.655 1.00 0.37 H new ATOM 0 HE2 PHE A2120 10.152 10.078 2.906 1.00 0.34 H new ATOM 0 HZ PHE A2120 11.890 8.280 3.433 1.00 0.38 H new ATOM 1125 N ASP A2121 4.876 8.008 7.887 1.00 0.17 N ATOM 1126 CA ASP A2121 3.819 8.196 8.883 1.00 0.22 C ATOM 1127 C ASP A2121 3.249 6.851 9.321 1.00 0.20 C ATOM 1128 O ASP A2121 2.881 6.660 10.480 1.00 0.29 O ATOM 1129 CB ASP A2121 2.698 9.066 8.308 1.00 0.29 C ATOM 1130 CG ASP A2121 1.771 9.606 9.382 1.00 0.74 C ATOM 1131 OD1 ASP A2121 0.715 8.992 9.635 1.00 1.34 O ATOM 1132 OD2 ASP A2121 2.094 10.657 9.977 1.00 0.88 O ATOM 0 H ASP A2121 4.555 8.057 6.920 1.00 0.17 H new ATOM 0 HA ASP A2121 4.252 8.695 9.750 1.00 0.22 H new ATOM 0 HB2 ASP A2121 3.135 9.899 7.758 1.00 0.29 H new ATOM 0 HB3 ASP A2121 2.119 8.481 7.593 1.00 0.29 H new ATOM 1137 N HIS A2122 3.192 5.924 8.381 1.00 0.14 N ATOM 1138 CA HIS A2122 2.666 4.587 8.626 1.00 0.14 C ATOM 1139 C HIS A2122 3.649 3.576 8.065 1.00 0.14 C ATOM 1140 O HIS A2122 3.426 3.019 6.988 1.00 0.14 O ATOM 1141 CB HIS A2122 1.312 4.372 7.936 1.00 0.16 C ATOM 1142 CG HIS A2122 0.321 5.479 8.109 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.702 5.448 9.029 1.00 0.34 N ATOM 1144 CD2 HIS A2122 0.178 6.643 7.431 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.431 6.542 8.909 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -0.919 7.282 7.944 1.00 0.40 N ATOM 0 H HIS A2122 3.509 6.075 7.423 1.00 0.14 H new ATOM 0 HA HIS A2122 2.528 4.466 9.701 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.486 4.226 6.870 1.00 0.16 H new ATOM 0 HB3 HIS A2122 0.872 3.450 8.316 1.00 0.16 H new ATOM 0 HD2 HIS A2122 0.812 7.001 6.633 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -2.300 6.790 9.501 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -1.281 8.183 7.631 1.00 0.40 H new ATOM 1155 N PRO A2123 4.754 3.326 8.762 1.00 0.16 N ATOM 1156 CA PRO A2123 5.806 2.498 8.231 1.00 0.17 C ATOM 1157 C PRO A2123 5.638 1.036 8.596 1.00 0.15 C ATOM 1158 O PRO A2123 5.863 0.640 9.735 1.00 0.19 O ATOM 1159 CB PRO A2123 7.045 3.072 8.927 1.00 0.20 C ATOM 1160 CG PRO A2123 6.550 3.830 10.125 1.00 0.25 C ATOM 1161 CD PRO A2123 5.045 3.787 10.098 1.00 0.20 C ATOM 0 HA PRO A2123 5.840 2.513 7.142 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.726 2.275 9.227 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.598 3.728 8.255 1.00 0.20 H new ATOM 0 HG2 PRO A2123 6.930 3.384 11.044 1.00 0.25 H new ATOM 0 HG3 PRO A2123 6.905 4.860 10.100 1.00 0.25 H new ATOM 0 HD2 PRO A2123 4.648 3.109 10.854 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.610 4.768 10.289 1.00 0.20 H new ATOM 1169 N THR A2124 5.174 0.288 7.605 1.00 0.12 N ATOM 1170 CA THR A2124 5.262 -1.160 7.463 1.00 0.10 C ATOM 1171 C THR A2124 4.303 -1.511 6.342 1.00 0.10 C ATOM 1172 O THR A2124 3.412 -0.703 6.063 1.00 0.11 O ATOM 1173 CB THR A2124 4.922 -1.985 8.727 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.833 -1.404 9.446 1.00 0.13 O ATOM 1175 CG2 THR A2124 6.132 -2.112 9.623 1.00 0.11 C ATOM 0 H THR A2124 4.687 0.712 6.815 1.00 0.12 H new ATOM 0 HA THR A2124 6.301 -1.421 7.264 1.00 0.10 H new ATOM 0 HB THR A2124 4.622 -2.981 8.402 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.638 -1.946 10.239 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.871 -2.696 10.506 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.935 -2.612 9.081 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.464 -1.120 9.929 1.00 0.11 H new ATOM 1183 N PRO A2125 4.421 -2.654 5.664 1.00 0.11 N ATOM 1184 CA PRO A2125 3.372 -3.064 4.741 1.00 0.12 C ATOM 1185 C PRO A2125 2.036 -3.154 5.473 1.00 0.13 C ATOM 1186 O PRO A2125 0.996 -2.764 4.941 1.00 0.14 O ATOM 1187 CB PRO A2125 3.825 -4.431 4.239 1.00 0.12 C ATOM 1188 CG PRO A2125 5.297 -4.453 4.476 1.00 0.12 C ATOM 1189 CD PRO A2125 5.548 -3.595 5.687 1.00 0.11 C ATOM 0 HA PRO A2125 3.224 -2.360 3.922 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.325 -5.236 4.778 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.592 -4.562 3.182 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.648 -5.471 4.643 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.835 -4.068 3.610 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.563 -4.185 6.604 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.506 -3.079 5.625 1.00 0.11 H new ATOM 1197 N HIS A2126 2.088 -3.613 6.729 1.00 0.13 N ATOM 1198 CA HIS A2126 0.897 -3.715 7.562 1.00 0.15 C ATOM 1199 C HIS A2126 0.354 -2.343 7.956 1.00 0.14 C ATOM 1200 O HIS A2126 -0.854 -2.139 7.924 1.00 0.16 O ATOM 1201 CB HIS A2126 1.193 -4.565 8.802 1.00 0.18 C ATOM 1202 CG HIS A2126 0.119 -4.512 9.848 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -1.102 -5.131 9.701 1.00 0.35 N ATOM 1204 CD2 HIS A2126 0.083 -3.895 11.053 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -1.844 -4.894 10.765 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -1.149 -4.147 11.602 1.00 0.40 N ATOM 0 H HIS A2126 2.947 -3.919 7.186 1.00 0.13 H new ATOM 0 HA HIS A2126 0.121 -4.205 6.975 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.336 -5.601 8.494 1.00 0.18 H new ATOM 0 HB3 HIS A2126 2.132 -4.231 9.243 1.00 0.18 H new ATOM 0 HD2 HIS A2126 0.876 -3.313 11.499 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -2.851 -5.251 10.925 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -1.474 -3.812 12.509 1.00 0.40 H new ATOM 1215 N ALA A2127 1.225 -1.410 8.335 1.00 0.13 N ATOM 1216 CA ALA A2127 0.777 -0.058 8.688 1.00 0.12 C ATOM 1217 C ALA A2127 0.007 0.564 7.534 1.00 0.11 C ATOM 1218 O ALA A2127 -1.017 1.220 7.731 1.00 0.11 O ATOM 1219 CB ALA A2127 1.947 0.839 9.075 1.00 0.13 C ATOM 0 H ALA A2127 2.232 -1.558 8.406 1.00 0.13 H new ATOM 0 HA ALA A2127 0.120 -0.146 9.553 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.576 1.832 9.330 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.463 0.413 9.935 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.640 0.915 8.237 1.00 0.13 H new ATOM 1225 N LEU A2128 0.496 0.343 6.324 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.180 0.820 5.143 1.00 0.11 C ATOM 1227 C LEU A2128 -1.445 0.026 4.870 1.00 0.13 C ATOM 1228 O LEU A2128 -2.405 0.561 4.320 1.00 0.14 O ATOM 1229 CB LEU A2128 0.758 0.759 3.954 1.00 0.11 C ATOM 1230 CG LEU A2128 1.848 1.818 3.959 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.626 1.751 2.666 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.249 3.204 4.169 1.00 0.12 C ATOM 0 H LEU A2128 1.361 -0.166 6.141 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.475 1.856 5.311 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.225 -0.225 3.925 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.173 0.861 3.040 1.00 0.11 H new ATOM 0 HG LEU A2128 2.531 1.625 4.787 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.407 2.511 2.672 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.080 0.765 2.565 1.00 0.12 H new ATOM 0 HD13 LEU A2128 1.953 1.928 1.827 1.00 0.12 H new ATOM 0 HD21 LEU A2128 2.045 3.948 4.169 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.548 3.423 3.364 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.725 3.233 5.124 1.00 0.12 H new ATOM 1244 N THR A2129 -1.464 -1.236 5.283 1.00 0.15 N ATOM 1245 CA THR A2129 -2.653 -2.056 5.132 1.00 0.17 C ATOM 1246 C THR A2129 -3.794 -1.435 5.920 1.00 0.17 C ATOM 1247 O THR A2129 -4.965 -1.557 5.563 1.00 0.20 O ATOM 1248 CB THR A2129 -2.437 -3.503 5.625 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.265 -4.070 5.026 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.635 -4.374 5.285 1.00 0.18 C ATOM 0 H THR A2129 -0.674 -1.708 5.722 1.00 0.15 H new ATOM 0 HA THR A2129 -2.888 -2.097 4.068 1.00 0.17 H new ATOM 0 HB THR A2129 -2.313 -3.468 6.707 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.656 -3.352 4.755 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.460 -5.389 5.642 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.527 -3.969 5.764 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.779 -4.389 4.205 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.433 -0.743 6.984 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.416 -0.103 7.826 1.00 0.18 C ATOM 1260 C GLN A2130 -4.868 1.214 7.200 1.00 0.17 C ATOM 1261 O GLN A2130 -6.064 1.500 7.134 1.00 0.20 O ATOM 1262 CB GLN A2130 -3.860 0.135 9.237 1.00 0.22 C ATOM 1263 CG GLN A2130 -2.884 -0.939 9.703 1.00 0.28 C ATOM 1264 CD GLN A2130 -2.762 -1.016 11.212 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -3.495 -1.756 11.869 1.00 1.66 O ATOM 1266 NE2 GLN A2130 -1.835 -0.260 11.774 1.00 1.13 N ATOM 0 H GLN A2130 -2.467 -0.612 7.282 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.277 -0.765 7.911 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.359 1.103 9.262 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -4.691 0.188 9.941 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -3.208 -1.907 9.321 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -1.902 -0.740 9.275 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -1.247 0.340 11.196 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -1.708 -0.277 12.786 1.00 1.13 H new ATOM 1275 N HIS A2131 -3.908 2.001 6.711 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.218 3.304 6.130 1.00 0.18 C ATOM 1277 C HIS A2131 -4.969 3.166 4.809 1.00 0.18 C ATOM 1278 O HIS A2131 -6.017 3.783 4.622 1.00 0.19 O ATOM 1279 CB HIS A2131 -2.940 4.121 5.926 1.00 0.23 C ATOM 1280 CG HIS A2131 -3.192 5.491 5.377 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -3.968 6.429 6.019 1.00 0.32 N ATOM 1282 CD2 HIS A2131 -2.781 6.073 4.226 1.00 0.27 C ATOM 1283 CE1 HIS A2131 -4.028 7.524 5.289 1.00 0.35 C ATOM 1284 NE2 HIS A2131 -3.315 7.337 4.193 1.00 0.31 N ATOM 0 H HIS A2131 -2.917 1.759 6.706 1.00 0.16 H new ATOM 0 HA HIS A2131 -4.866 3.828 6.832 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.418 4.210 6.879 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.277 3.582 5.249 1.00 0.23 H new ATOM 0 HD2 HIS A2131 -2.150 5.625 3.473 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -4.569 8.423 5.544 1.00 0.35 H new ATOM 0 HE2 HIS A2131 -3.183 8.019 3.446 1.00 0.31 H new ATOM 1293 N LEU A2132 -4.429 2.375 3.892 1.00 0.19 N ATOM 1294 CA LEU A2132 -5.066 2.167 2.601 1.00 0.21 C ATOM 1295 C LEU A2132 -6.438 1.524 2.746 1.00 0.21 C ATOM 1296 O LEU A2132 -7.322 1.762 1.926 1.00 0.26 O ATOM 1297 CB LEU A2132 -4.184 1.329 1.670 1.00 0.26 C ATOM 1298 CG LEU A2132 -3.046 2.095 0.987 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -3.562 3.401 0.424 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -1.902 2.361 1.949 1.00 0.64 C ATOM 0 H LEU A2132 -3.553 1.868 4.019 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.200 3.152 2.154 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -3.755 0.508 2.244 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -4.815 0.885 0.900 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.666 1.476 0.174 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -2.745 3.937 -0.059 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -4.345 3.198 -0.307 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -3.968 4.010 1.232 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -1.112 2.906 1.433 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -2.263 2.955 2.789 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -1.509 1.414 2.317 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.633 0.736 3.799 1.00 0.20 N ATOM 1313 CA HIS A2133 -7.928 0.127 4.030 1.00 0.21 C ATOM 1314 C HIS A2133 -8.928 1.203 4.398 1.00 0.21 C ATOM 1315 O HIS A2133 -10.074 1.172 3.965 1.00 0.27 O ATOM 1316 CB HIS A2133 -7.874 -0.940 5.125 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.177 -1.659 5.298 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.834 -1.753 6.502 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -9.955 -2.308 4.396 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -10.958 -2.424 6.339 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -11.057 -2.773 5.070 1.00 0.31 N ATOM 0 H HIS A2133 -5.920 0.510 4.493 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.236 -0.371 3.111 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -7.094 -1.663 4.884 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.594 -0.472 6.069 1.00 0.21 H new ATOM 0 HD2 HIS A2133 -9.746 -2.435 3.344 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.676 -2.650 7.113 1.00 0.30 H new ATOM 0 HE2 HIS A2133 -11.826 -3.301 4.658 1.00 0.31 H new ATOM 1330 N THR A2134 -8.483 2.158 5.196 1.00 0.18 N ATOM 1331 CA THR A2134 -9.306 3.294 5.539 1.00 0.22 C ATOM 1332 C THR A2134 -9.613 4.125 4.293 1.00 0.26 C ATOM 1333 O THR A2134 -10.759 4.469 4.033 1.00 0.34 O ATOM 1334 CB THR A2134 -8.622 4.174 6.601 1.00 0.26 C ATOM 1335 OG1 THR A2134 -8.341 3.392 7.771 1.00 0.27 O ATOM 1336 CG2 THR A2134 -9.495 5.363 6.979 1.00 0.36 C ATOM 0 H THR A2134 -7.554 2.165 5.617 1.00 0.18 H new ATOM 0 HA THR A2134 -10.240 2.917 5.955 1.00 0.22 H new ATOM 0 HB THR A2134 -7.692 4.554 6.178 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.596 2.783 7.586 1.00 0.27 H new ATOM 0 HG21 THR A2134 -8.984 5.965 7.731 1.00 0.36 H new ATOM 0 HG22 THR A2134 -9.684 5.971 6.094 1.00 0.36 H new ATOM 0 HG23 THR A2134 -10.442 5.005 7.383 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.585 4.393 3.502 1.00 0.27 N ATOM 1345 CA ARG A2135 -8.720 5.248 2.328 1.00 0.32 C ATOM 1346 C ARG A2135 -9.696 4.662 1.300 1.00 0.40 C ATOM 1347 O ARG A2135 -10.558 5.367 0.779 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.350 5.466 1.682 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.348 6.155 2.592 1.00 0.28 C ATOM 1350 CD ARG A2135 -6.727 7.605 2.829 1.00 0.33 C ATOM 1351 NE ARG A2135 -6.314 8.484 1.734 1.00 0.85 N ATOM 1352 CZ ARG A2135 -7.162 9.184 0.977 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -8.472 9.081 1.163 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -6.700 9.993 0.034 1.00 1.64 N ATOM 0 H ARG A2135 -7.644 4.030 3.651 1.00 0.27 H new ATOM 0 HA ARG A2135 -9.127 6.203 2.660 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -6.945 4.502 1.375 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -7.475 6.061 0.778 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -6.298 5.629 3.545 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.354 6.104 2.147 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -7.807 7.677 2.960 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -6.270 7.948 3.757 1.00 0.33 H new ATOM 0 HE ARG A2135 -5.317 8.567 1.537 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -8.837 8.464 1.888 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -9.114 9.619 0.581 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -5.695 10.082 -0.114 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -7.350 10.527 -0.543 1.00 1.64 H new ATOM 1368 N LEU A2136 -9.553 3.370 1.016 1.00 0.41 N ATOM 1369 CA LEU A2136 -10.375 2.685 0.032 1.00 0.51 C ATOM 1370 C LEU A2136 -11.797 2.423 0.526 1.00 0.58 C ATOM 1371 O LEU A2136 -12.637 1.930 -0.229 1.00 0.85 O ATOM 1372 CB LEU A2136 -9.689 1.373 -0.342 1.00 0.54 C ATOM 1373 CG LEU A2136 -8.384 1.556 -1.116 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -7.635 0.248 -1.289 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -8.682 2.171 -2.460 1.00 0.75 C ATOM 0 H LEU A2136 -8.861 2.770 1.465 1.00 0.41 H new ATOM 0 HA LEU A2136 -10.472 3.331 -0.840 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -9.484 0.809 0.568 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -10.375 0.774 -0.941 1.00 0.54 H new ATOM 0 HG LEU A2136 -7.739 2.219 -0.539 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -6.714 0.427 -1.845 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -7.393 -0.165 -0.310 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -8.258 -0.458 -1.837 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -7.753 2.303 -3.014 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -9.349 1.516 -3.020 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -9.160 3.140 -2.319 1.00 0.75 H new ATOM 1387 N THR A2137 -12.071 2.740 1.779 1.00 0.43 N ATOM 1388 CA THR A2137 -13.397 2.542 2.326 1.00 0.47 C ATOM 1389 C THR A2137 -14.090 3.875 2.582 1.00 0.54 C ATOM 1390 O THR A2137 -15.277 4.045 2.290 1.00 0.68 O ATOM 1391 CB THR A2137 -13.335 1.711 3.620 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.415 2.297 4.549 1.00 0.39 O ATOM 1393 CG2 THR A2137 -12.898 0.287 3.312 1.00 0.42 C ATOM 0 H THR A2137 -11.395 3.134 2.433 1.00 0.43 H new ATOM 0 HA THR A2137 -13.982 1.992 1.589 1.00 0.47 H new ATOM 0 HB THR A2137 -14.331 1.697 4.062 1.00 0.43 H new ATOM 0 HG1 THR A2137 -11.628 1.720 4.638 1.00 0.39 H new ATOM 0 HG21 THR A2137 -12.858 -0.289 4.236 1.00 0.42 H new ATOM 0 HG22 THR A2137 -13.611 -0.173 2.628 1.00 0.42 H new ATOM 0 HG23 THR A2137 -11.911 0.301 2.851 1.00 0.42 H new