USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 580 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: A2093 THR OG1 : rot -82:sc= 0.144 USER MOD Set 1.2: A2095 THR OG1 : rot 180:sc= 0.137 USER MOD Set 2.1: A2081 GLN : amide:sc= 0.4 K(o=3.1,f=-8.9!) USER MOD Set 2.2: A2084 TYR OH : rot 132:sc= 2.67 USER MOD Set 3.1: A2077 THR OG1 : rot 180:sc= 0.737 USER MOD Set 3.2: A2083 THR OG1 : rot -120:sc= 0.281 USER MOD Single : A2053 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2064 THR OG1 : rot -7:sc= 1.09 USER MOD Single : A2068 THR OG1 : rot 180:sc= 0 USER MOD Single : A2073 SER OG : rot 180:sc= 0 USER MOD Single : A2074 LYS NZ :NH3+ -160:sc= 0.852 (180deg=0.453) USER MOD Single : A2076 LYS NZ :NH3+ -165:sc= 1.28 (180deg=1.11) USER MOD Single : A2085 THR OG1 : rot 180:sc=-0.00646 USER MOD Single : A2091 THR OG1 : rot 170:sc= -2.61! USER MOD Single : A2098 LYS NZ :NH3+ 162:sc= -0.056 (180deg=-0.309) USER MOD Single : A2099 GLN : amide:sc= -0.8 K(o=-0.8,f=0) USER MOD Single : A2103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2108 THR OG1 : rot 180:sc= 0 USER MOD Single : A2110 LYS NZ :NH3+ -172:sc=-0.00842 (180deg=-0.0983) USER MOD Single : A2114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2115 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A2117 THR OG1 : rot 180:sc= 0 USER MOD Single : A2120 THR OG1 : rot 180:sc= 0 USER MOD Single : A2122 THR OG1 : rot 47:sc= 0.124 USER MOD Single : A2123 TYR OH : rot 180:sc= -0.292 USER MOD Single : A2124 SER OG : rot 6:sc= 0.577 USER MOD Single : A2128 THR OG1 : rot 14:sc= 0.829 USER MOD Single : A2129 LYS NZ :NH3+ 171:sc= 1.28 (180deg=0.963) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A2053 -0.297 9.458 -3.394 1.00 4.90 N ATOM 2 CA GLN A2053 -0.462 8.899 -2.033 1.00 4.58 C ATOM 3 C GLN A2053 -1.760 8.096 -1.969 1.00 3.90 C ATOM 4 O GLN A2053 -2.554 8.123 -2.911 1.00 4.20 O ATOM 5 CB GLN A2053 -0.484 10.037 -1.002 1.00 5.04 C ATOM 6 CG GLN A2053 -0.371 9.571 0.444 1.00 5.47 C ATOM 7 CD GLN A2053 -0.480 10.711 1.434 1.00 6.21 C ATOM 8 OE1 GLN A2053 0.519 11.323 1.808 1.00 6.51 O ATOM 9 NE2 GLN A2053 -1.694 10.999 1.869 1.00 6.85 N ATOM 0 HA GLN A2053 0.375 8.239 -1.804 1.00 4.58 H new ATOM 0 HB2 GLN A2053 0.336 10.722 -1.216 1.00 5.04 H new ATOM 0 HB3 GLN A2053 -1.410 10.601 -1.119 1.00 5.04 H new ATOM 0 HG2 GLN A2053 -1.154 8.841 0.649 1.00 5.47 H new ATOM 0 HG3 GLN A2053 0.583 9.063 0.584 1.00 5.47 H new ATOM 0 HE21 GLN A2053 -2.496 10.466 1.533 1.00 6.85 H new ATOM 0 HE22 GLN A2053 -1.829 11.754 2.541 1.00 6.85 H new ATOM 18 N GLY A2054 -1.967 7.371 -0.878 1.00 3.41 N ATOM 19 CA GLY A2054 -3.175 6.599 -0.726 1.00 3.09 C ATOM 20 C GLY A2054 -3.499 6.326 0.726 1.00 2.21 C ATOM 21 O GLY A2054 -2.661 6.542 1.603 1.00 2.29 O ATOM 0 H GLY A2054 -1.315 7.306 -0.096 1.00 3.41 H new ATOM 0 HA2 GLY A2054 -4.006 7.132 -1.188 1.00 3.09 H new ATOM 0 HA3 GLY A2054 -3.069 5.653 -1.257 1.00 3.09 H new ATOM 25 N GLY A2055 -4.709 5.846 0.978 1.00 1.77 N ATOM 26 CA GLY A2055 -5.113 5.513 2.327 1.00 1.45 C ATOM 27 C GLY A2055 -5.627 6.719 3.081 1.00 1.28 C ATOM 28 O GLY A2055 -5.258 6.943 4.235 1.00 1.66 O ATOM 0 H GLY A2055 -5.421 5.681 0.267 1.00 1.77 H new ATOM 0 HA2 GLY A2055 -5.889 4.749 2.294 1.00 1.45 H new ATOM 0 HA3 GLY A2055 -4.266 5.085 2.863 1.00 1.45 H new ATOM 32 N ASP A2056 -6.472 7.495 2.420 1.00 1.08 N ATOM 33 CA ASP A2056 -7.046 8.702 3.003 1.00 1.00 C ATOM 34 C ASP A2056 -7.874 8.380 4.243 1.00 1.03 C ATOM 35 O ASP A2056 -8.831 7.611 4.179 1.00 1.04 O ATOM 36 CB ASP A2056 -7.923 9.417 1.975 1.00 1.12 C ATOM 37 CG ASP A2056 -7.121 10.045 0.853 1.00 1.80 C ATOM 38 OD1 ASP A2056 -6.952 11.284 0.857 1.00 2.41 O ATOM 39 OD2 ASP A2056 -6.652 9.304 -0.038 1.00 2.42 O ATOM 0 H ASP A2056 -6.780 7.308 1.466 1.00 1.08 H new ATOM 0 HA ASP A2056 -6.223 9.352 3.298 1.00 1.00 H new ATOM 0 HB2 ASP A2056 -8.634 8.706 1.553 1.00 1.12 H new ATOM 0 HB3 ASP A2056 -8.505 10.190 2.476 1.00 1.12 H new ATOM 44 N PRO A2057 -7.507 8.956 5.397 1.00 1.20 N ATOM 45 CA PRO A2057 -8.272 8.791 6.631 1.00 1.36 C ATOM 46 C PRO A2057 -9.533 9.654 6.640 1.00 1.24 C ATOM 47 O PRO A2057 -10.486 9.380 7.370 1.00 1.34 O ATOM 48 CB PRO A2057 -7.295 9.236 7.718 1.00 1.72 C ATOM 49 CG PRO A2057 -6.354 10.179 7.044 1.00 1.71 C ATOM 50 CD PRO A2057 -6.302 9.787 5.590 1.00 1.41 C ATOM 0 HA PRO A2057 -8.628 7.770 6.765 1.00 1.36 H new ATOM 0 HB2 PRO A2057 -7.818 9.724 8.540 1.00 1.72 H new ATOM 0 HB3 PRO A2057 -6.762 8.384 8.140 1.00 1.72 H new ATOM 0 HG2 PRO A2057 -6.695 11.208 7.154 1.00 1.71 H new ATOM 0 HG3 PRO A2057 -5.363 10.122 7.494 1.00 1.71 H new ATOM 0 HD2 PRO A2057 -6.313 10.662 4.941 1.00 1.41 H new ATOM 0 HD3 PRO A2057 -5.393 9.231 5.359 1.00 1.41 H new ATOM 58 N LEU A2058 -9.528 10.697 5.816 1.00 1.18 N ATOM 59 CA LEU A2058 -10.685 11.572 5.674 1.00 1.17 C ATOM 60 C LEU A2058 -11.656 10.992 4.655 1.00 1.00 C ATOM 61 O LEU A2058 -12.848 11.301 4.663 1.00 1.06 O ATOM 62 CB LEU A2058 -10.262 12.986 5.248 1.00 1.35 C ATOM 63 CG LEU A2058 -9.624 13.857 6.339 1.00 1.71 C ATOM 64 CD1 LEU A2058 -8.254 13.334 6.740 1.00 2.34 C ATOM 65 CD2 LEU A2058 -9.523 15.300 5.871 1.00 2.10 C ATOM 0 H LEU A2058 -8.731 10.957 5.234 1.00 1.18 H new ATOM 0 HA LEU A2058 -11.178 11.641 6.644 1.00 1.17 H new ATOM 0 HB2 LEU A2058 -9.556 12.899 4.422 1.00 1.35 H new ATOM 0 HB3 LEU A2058 -11.140 13.506 4.864 1.00 1.35 H new ATOM 0 HG LEU A2058 -10.267 13.813 7.218 1.00 1.71 H new ATOM 0 HD11 LEU A2058 -7.832 13.975 7.514 1.00 2.34 H new ATOM 0 HD12 LEU A2058 -8.350 12.318 7.123 1.00 2.34 H new ATOM 0 HD13 LEU A2058 -7.596 13.334 5.871 1.00 2.34 H new ATOM 0 HD21 LEU A2058 -9.069 15.906 6.655 1.00 2.10 H new ATOM 0 HD22 LEU A2058 -8.908 15.349 4.972 1.00 2.10 H new ATOM 0 HD23 LEU A2058 -10.520 15.681 5.650 1.00 2.10 H new ATOM 77 N VAL A2059 -11.137 10.141 3.782 1.00 0.86 N ATOM 78 CA VAL A2059 -11.954 9.479 2.776 1.00 0.74 C ATOM 79 C VAL A2059 -11.737 7.978 2.882 1.00 0.66 C ATOM 80 O VAL A2059 -10.917 7.409 2.163 1.00 0.62 O ATOM 81 CB VAL A2059 -11.615 9.937 1.339 1.00 0.75 C ATOM 82 CG1 VAL A2059 -12.664 9.428 0.358 1.00 0.80 C ATOM 83 CG2 VAL A2059 -11.491 11.451 1.256 1.00 0.87 C ATOM 0 H VAL A2059 -10.148 9.892 3.750 1.00 0.86 H new ATOM 0 HA VAL A2059 -12.994 9.745 2.966 1.00 0.74 H new ATOM 0 HB VAL A2059 -10.649 9.510 1.069 1.00 0.75 H new ATOM 0 HG11 VAL A2059 -12.411 9.759 -0.649 1.00 0.80 H new ATOM 0 HG12 VAL A2059 -12.690 8.339 0.386 1.00 0.80 H new ATOM 0 HG13 VAL A2059 -13.642 9.822 0.634 1.00 0.80 H new ATOM 0 HG21 VAL A2059 -11.252 11.741 0.233 1.00 0.87 H new ATOM 0 HG22 VAL A2059 -12.434 11.910 1.552 1.00 0.87 H new ATOM 0 HG23 VAL A2059 -10.698 11.788 1.923 1.00 0.87 H new ATOM 93 N PRO A2060 -12.455 7.327 3.803 1.00 0.71 N ATOM 94 CA PRO A2060 -12.279 5.902 4.077 1.00 0.72 C ATOM 95 C PRO A2060 -12.512 5.046 2.841 1.00 0.59 C ATOM 96 O PRO A2060 -13.399 5.328 2.030 1.00 0.58 O ATOM 97 CB PRO A2060 -13.332 5.601 5.145 1.00 0.87 C ATOM 98 CG PRO A2060 -13.666 6.920 5.744 1.00 1.04 C ATOM 99 CD PRO A2060 -13.502 7.926 4.647 1.00 0.86 C ATOM 0 HA PRO A2060 -11.262 5.674 4.396 1.00 0.72 H new ATOM 0 HB2 PRO A2060 -14.214 5.132 4.708 1.00 0.87 H new ATOM 0 HB3 PRO A2060 -12.945 4.913 5.897 1.00 0.87 H new ATOM 0 HG2 PRO A2060 -14.685 6.926 6.130 1.00 1.04 H new ATOM 0 HG3 PRO A2060 -13.007 7.146 6.582 1.00 1.04 H new ATOM 0 HD2 PRO A2060 -14.430 8.076 4.094 1.00 0.86 H new ATOM 0 HD3 PRO A2060 -13.201 8.900 5.034 1.00 0.86 H new ATOM 107 N ILE A2061 -11.701 4.008 2.700 1.00 0.62 N ATOM 108 CA ILE A2061 -11.806 3.098 1.572 1.00 0.56 C ATOM 109 C ILE A2061 -13.153 2.389 1.595 1.00 0.51 C ATOM 110 O ILE A2061 -13.612 1.946 2.649 1.00 0.57 O ATOM 111 CB ILE A2061 -10.673 2.049 1.591 1.00 0.69 C ATOM 112 CG1 ILE A2061 -9.304 2.737 1.673 1.00 0.77 C ATOM 113 CG2 ILE A2061 -10.752 1.154 0.360 1.00 0.75 C ATOM 114 CD1 ILE A2061 -9.043 3.727 0.558 1.00 0.76 C ATOM 0 H ILE A2061 -10.958 3.775 3.359 1.00 0.62 H new ATOM 0 HA ILE A2061 -11.716 3.687 0.659 1.00 0.56 H new ATOM 0 HB ILE A2061 -10.796 1.425 2.476 1.00 0.69 H new ATOM 0 HG12 ILE A2061 -9.226 3.254 2.629 1.00 0.77 H new ATOM 0 HG13 ILE A2061 -8.525 1.975 1.658 1.00 0.77 H new ATOM 0 HG21 ILE A2061 -9.946 0.421 0.391 1.00 0.75 H new ATOM 0 HG22 ILE A2061 -11.712 0.637 0.347 1.00 0.75 H new ATOM 0 HG23 ILE A2061 -10.655 1.763 -0.539 1.00 0.75 H new ATOM 0 HD11 ILE A2061 -8.055 4.169 0.688 1.00 0.76 H new ATOM 0 HD12 ILE A2061 -9.087 3.213 -0.402 1.00 0.76 H new ATOM 0 HD13 ILE A2061 -9.799 4.512 0.584 1.00 0.76 H new ATOM 126 N ASP A2062 -13.789 2.300 0.436 1.00 0.45 N ATOM 127 CA ASP A2062 -15.093 1.669 0.336 1.00 0.43 C ATOM 128 C ASP A2062 -14.962 0.163 0.535 1.00 0.43 C ATOM 129 O ASP A2062 -14.156 -0.493 -0.121 1.00 0.43 O ATOM 130 CB ASP A2062 -15.739 1.977 -1.013 1.00 0.44 C ATOM 131 CG ASP A2062 -17.139 1.418 -1.111 1.00 0.71 C ATOM 132 OD1 ASP A2062 -17.280 0.197 -1.304 1.00 1.42 O ATOM 133 OD2 ASP A2062 -18.106 2.199 -0.990 1.00 1.40 O ATOM 0 H ASP A2062 -13.422 2.657 -0.446 1.00 0.45 H new ATOM 0 HA ASP A2062 -15.735 2.071 1.119 1.00 0.43 H new ATOM 0 HB2 ASP A2062 -15.768 3.056 -1.163 1.00 0.44 H new ATOM 0 HB3 ASP A2062 -15.126 1.561 -1.812 1.00 0.44 H new ATOM 138 N GLU A2063 -15.767 -0.377 1.432 1.00 0.47 N ATOM 139 CA GLU A2063 -15.621 -1.764 1.845 1.00 0.52 C ATOM 140 C GLU A2063 -16.435 -2.713 0.964 1.00 0.51 C ATOM 141 O GLU A2063 -16.417 -3.928 1.173 1.00 0.58 O ATOM 142 CB GLU A2063 -16.030 -1.905 3.310 1.00 0.64 C ATOM 143 CG GLU A2063 -15.285 -0.947 4.228 1.00 0.72 C ATOM 144 CD GLU A2063 -15.731 -1.042 5.674 1.00 0.87 C ATOM 145 OE1 GLU A2063 -14.915 -1.435 6.531 1.00 1.55 O ATOM 146 OE2 GLU A2063 -16.901 -0.717 5.964 1.00 1.30 O ATOM 0 H GLU A2063 -16.529 0.123 1.890 1.00 0.47 H new ATOM 0 HA GLU A2063 -14.574 -2.044 1.730 1.00 0.52 H new ATOM 0 HB2 GLU A2063 -17.102 -1.728 3.401 1.00 0.64 H new ATOM 0 HB3 GLU A2063 -15.847 -2.929 3.636 1.00 0.64 H new ATOM 0 HG2 GLU A2063 -14.216 -1.154 4.169 1.00 0.72 H new ATOM 0 HG3 GLU A2063 -15.432 0.074 3.875 1.00 0.72 H new ATOM 153 N THR A2064 -17.138 -2.173 -0.026 1.00 0.49 N ATOM 154 CA THR A2064 -17.911 -3.010 -0.933 1.00 0.54 C ATOM 155 C THR A2064 -17.221 -3.127 -2.291 1.00 0.50 C ATOM 156 O THR A2064 -17.579 -3.972 -3.113 1.00 0.59 O ATOM 157 CB THR A2064 -19.362 -2.504 -1.113 1.00 0.60 C ATOM 158 OG1 THR A2064 -19.387 -1.156 -1.605 1.00 0.58 O ATOM 159 CG2 THR A2064 -20.124 -2.576 0.202 1.00 0.69 C ATOM 0 H THR A2064 -17.188 -1.173 -0.219 1.00 0.49 H new ATOM 0 HA THR A2064 -17.964 -3.998 -0.475 1.00 0.54 H new ATOM 0 HB THR A2064 -19.844 -3.152 -1.845 1.00 0.60 H new ATOM 0 HG1 THR A2064 -18.475 -0.798 -1.626 1.00 0.58 H new ATOM 0 HG21 THR A2064 -21.142 -2.216 0.053 1.00 0.69 H new ATOM 0 HG22 THR A2064 -20.152 -3.609 0.550 1.00 0.69 H new ATOM 0 HG23 THR A2064 -19.625 -1.956 0.946 1.00 0.69 H new ATOM 167 N VAL A2065 -16.225 -2.280 -2.520 1.00 0.44 N ATOM 168 CA VAL A2065 -15.431 -2.348 -3.742 1.00 0.43 C ATOM 169 C VAL A2065 -14.216 -3.237 -3.517 1.00 0.37 C ATOM 170 O VAL A2065 -14.088 -3.855 -2.459 1.00 0.46 O ATOM 171 CB VAL A2065 -14.966 -0.952 -4.205 1.00 0.48 C ATOM 172 CG1 VAL A2065 -16.158 -0.052 -4.488 1.00 0.82 C ATOM 173 CG2 VAL A2065 -14.045 -0.322 -3.173 1.00 0.57 C ATOM 0 H VAL A2065 -15.948 -1.539 -1.877 1.00 0.44 H new ATOM 0 HA VAL A2065 -16.064 -2.767 -4.524 1.00 0.43 H new ATOM 0 HB VAL A2065 -14.405 -1.071 -5.132 1.00 0.48 H new ATOM 0 HG11 VAL A2065 -15.806 0.927 -4.813 1.00 0.82 H new ATOM 0 HG12 VAL A2065 -16.771 -0.496 -5.273 1.00 0.82 H new ATOM 0 HG13 VAL A2065 -16.753 0.059 -3.582 1.00 0.82 H new ATOM 0 HG21 VAL A2065 -13.729 0.662 -3.520 1.00 0.57 H new ATOM 0 HG22 VAL A2065 -14.575 -0.220 -2.226 1.00 0.57 H new ATOM 0 HG23 VAL A2065 -13.169 -0.955 -3.032 1.00 0.57 H new ATOM 183 N GLU A2066 -13.333 -3.312 -4.504 1.00 0.34 N ATOM 184 CA GLU A2066 -12.138 -4.132 -4.384 1.00 0.32 C ATOM 185 C GLU A2066 -10.957 -3.320 -3.856 1.00 0.26 C ATOM 186 O GLU A2066 -10.494 -2.360 -4.499 1.00 0.28 O ATOM 187 CB GLU A2066 -11.779 -4.773 -5.727 1.00 0.40 C ATOM 188 CG GLU A2066 -10.534 -5.643 -5.668 1.00 0.43 C ATOM 189 CD GLU A2066 -10.259 -6.364 -6.971 1.00 0.61 C ATOM 190 OE1 GLU A2066 -9.471 -5.850 -7.792 1.00 0.68 O ATOM 191 OE2 GLU A2066 -10.825 -7.455 -7.178 1.00 0.78 O ATOM 0 H GLU A2066 -13.422 -2.817 -5.392 1.00 0.34 H new ATOM 0 HA GLU A2066 -12.355 -4.923 -3.666 1.00 0.32 H new ATOM 0 HB2 GLU A2066 -12.619 -5.377 -6.069 1.00 0.40 H new ATOM 0 HB3 GLU A2066 -11.629 -3.987 -6.468 1.00 0.40 H new ATOM 0 HG2 GLU A2066 -9.675 -5.023 -5.413 1.00 0.43 H new ATOM 0 HG3 GLU A2066 -10.646 -6.376 -4.869 1.00 0.43 H new ATOM 198 N PRO A2067 -10.496 -3.650 -2.639 1.00 0.27 N ATOM 199 CA PRO A2067 -9.241 -3.174 -2.118 1.00 0.30 C ATOM 200 C PRO A2067 -8.146 -4.236 -2.239 1.00 0.28 C ATOM 201 O PRO A2067 -8.133 -5.218 -1.502 1.00 0.34 O ATOM 202 CB PRO A2067 -9.591 -2.903 -0.652 1.00 0.41 C ATOM 203 CG PRO A2067 -10.759 -3.802 -0.335 1.00 0.45 C ATOM 204 CD PRO A2067 -11.193 -4.453 -1.631 1.00 0.37 C ATOM 0 HA PRO A2067 -8.847 -2.306 -2.647 1.00 0.30 H new ATOM 0 HB2 PRO A2067 -8.744 -3.119 -0.001 1.00 0.41 H new ATOM 0 HB3 PRO A2067 -9.851 -1.856 -0.499 1.00 0.41 H new ATOM 0 HG2 PRO A2067 -10.474 -4.557 0.398 1.00 0.45 H new ATOM 0 HG3 PRO A2067 -11.578 -3.229 0.100 1.00 0.45 H new ATOM 0 HD2 PRO A2067 -10.901 -5.502 -1.675 1.00 0.37 H new ATOM 0 HD3 PRO A2067 -12.275 -4.417 -1.761 1.00 0.37 H new ATOM 212 N THR A2068 -7.220 -4.036 -3.164 1.00 0.29 N ATOM 213 CA THR A2068 -6.153 -4.997 -3.384 1.00 0.32 C ATOM 214 C THR A2068 -4.824 -4.298 -3.616 1.00 0.39 C ATOM 215 O THR A2068 -4.728 -3.070 -3.538 1.00 0.70 O ATOM 216 CB THR A2068 -6.461 -5.894 -4.599 1.00 0.34 C ATOM 217 OG1 THR A2068 -6.901 -5.088 -5.697 1.00 0.38 O ATOM 218 CG2 THR A2068 -7.518 -6.932 -4.263 1.00 0.36 C ATOM 0 H THR A2068 -7.187 -3.218 -3.773 1.00 0.29 H new ATOM 0 HA THR A2068 -6.085 -5.611 -2.486 1.00 0.32 H new ATOM 0 HB THR A2068 -5.547 -6.419 -4.875 1.00 0.34 H new ATOM 0 HG1 THR A2068 -7.094 -5.662 -6.467 1.00 0.38 H new ATOM 0 HG21 THR A2068 -7.714 -7.549 -5.140 1.00 0.36 H new ATOM 0 HG22 THR A2068 -7.163 -7.562 -3.448 1.00 0.36 H new ATOM 0 HG23 THR A2068 -8.437 -6.430 -3.960 1.00 0.36 H new ATOM 226 N PHE A2069 -3.787 -5.091 -3.803 1.00 0.25 N ATOM 227 CA PHE A2069 -2.513 -4.586 -4.271 1.00 0.26 C ATOM 228 C PHE A2069 -2.364 -4.929 -5.744 1.00 0.27 C ATOM 229 O PHE A2069 -3.028 -5.845 -6.218 1.00 0.31 O ATOM 230 CB PHE A2069 -1.382 -5.153 -3.418 1.00 0.31 C ATOM 231 CG PHE A2069 -1.519 -4.734 -1.986 1.00 0.28 C ATOM 232 CD1 PHE A2069 -2.069 -5.582 -1.041 1.00 1.14 C ATOM 233 CD2 PHE A2069 -1.147 -3.465 -1.601 1.00 1.12 C ATOM 234 CE1 PHE A2069 -2.247 -5.166 0.263 1.00 1.16 C ATOM 235 CE2 PHE A2069 -1.312 -3.045 -0.299 1.00 1.15 C ATOM 236 CZ PHE A2069 -1.867 -3.894 0.634 1.00 0.42 C ATOM 0 H PHE A2069 -3.804 -6.097 -3.636 1.00 0.25 H new ATOM 0 HA PHE A2069 -2.467 -3.502 -4.171 1.00 0.26 H new ATOM 0 HB2 PHE A2069 -1.385 -6.241 -3.483 1.00 0.31 H new ATOM 0 HB3 PHE A2069 -0.423 -4.813 -3.809 1.00 0.31 H new ATOM 0 HD1 PHE A2069 -2.362 -6.581 -1.327 1.00 1.14 H new ATOM 0 HD2 PHE A2069 -0.721 -2.791 -2.329 1.00 1.12 H new ATOM 0 HE1 PHE A2069 -2.683 -5.835 0.990 1.00 1.16 H new ATOM 0 HE2 PHE A2069 -1.006 -2.050 -0.010 1.00 1.15 H new ATOM 0 HZ PHE A2069 -2.004 -3.564 1.653 1.00 0.42 H new ATOM 246 N GLU A2070 -1.492 -4.211 -6.443 1.00 0.30 N ATOM 247 CA GLU A2070 -1.420 -4.257 -7.909 1.00 0.36 C ATOM 248 C GLU A2070 -1.328 -5.693 -8.440 1.00 0.36 C ATOM 249 O GLU A2070 -2.026 -6.058 -9.387 1.00 0.44 O ATOM 250 CB GLU A2070 -0.218 -3.430 -8.381 1.00 0.52 C ATOM 251 CG GLU A2070 -0.372 -2.814 -9.768 1.00 0.66 C ATOM 252 CD GLU A2070 -0.432 -3.841 -10.876 1.00 1.36 C ATOM 253 OE1 GLU A2070 -1.508 -3.992 -11.494 1.00 2.09 O ATOM 254 OE2 GLU A2070 0.595 -4.501 -11.138 1.00 2.01 O ATOM 0 H GLU A2070 -0.814 -3.580 -6.016 1.00 0.30 H new ATOM 0 HA GLU A2070 -2.341 -3.833 -8.308 1.00 0.36 H new ATOM 0 HB2 GLU A2070 -0.039 -2.631 -7.662 1.00 0.52 H new ATOM 0 HB3 GLU A2070 0.667 -4.066 -8.377 1.00 0.52 H new ATOM 0 HG2 GLU A2070 -1.280 -2.211 -9.791 1.00 0.66 H new ATOM 0 HG3 GLU A2070 0.464 -2.139 -9.953 1.00 0.66 H new ATOM 261 N ASP A2071 -0.494 -6.513 -7.813 1.00 0.40 N ATOM 262 CA ASP A2071 -0.287 -7.891 -8.266 1.00 0.53 C ATOM 263 C ASP A2071 -1.408 -8.813 -7.763 1.00 0.50 C ATOM 264 O ASP A2071 -1.378 -10.025 -7.963 1.00 0.62 O ATOM 265 CB ASP A2071 1.084 -8.390 -7.791 1.00 0.69 C ATOM 266 CG ASP A2071 1.431 -9.777 -8.294 1.00 1.42 C ATOM 267 OD1 ASP A2071 1.633 -9.946 -9.513 1.00 2.06 O ATOM 268 OD2 ASP A2071 1.536 -10.701 -7.460 1.00 2.15 O ATOM 0 H ASP A2071 0.051 -6.253 -6.991 1.00 0.40 H new ATOM 0 HA ASP A2071 -0.313 -7.908 -9.356 1.00 0.53 H new ATOM 0 HB2 ASP A2071 1.851 -7.690 -8.122 1.00 0.69 H new ATOM 0 HB3 ASP A2071 1.103 -8.392 -6.701 1.00 0.69 H new ATOM 273 N GLY A2072 -2.414 -8.222 -7.133 1.00 0.43 N ATOM 274 CA GLY A2072 -3.518 -8.992 -6.593 1.00 0.48 C ATOM 275 C GLY A2072 -3.255 -9.421 -5.168 1.00 0.48 C ATOM 276 O GLY A2072 -3.990 -10.232 -4.603 1.00 0.63 O ATOM 0 H GLY A2072 -2.485 -7.215 -6.985 1.00 0.43 H new ATOM 0 HA2 GLY A2072 -4.430 -8.397 -6.631 1.00 0.48 H new ATOM 0 HA3 GLY A2072 -3.686 -9.873 -7.213 1.00 0.48 H new ATOM 280 N SER A2073 -2.221 -8.844 -4.576 1.00 0.37 N ATOM 281 CA SER A2073 -1.769 -9.254 -3.253 1.00 0.38 C ATOM 282 C SER A2073 -2.718 -8.746 -2.173 1.00 0.35 C ATOM 283 O SER A2073 -3.520 -7.835 -2.412 1.00 0.38 O ATOM 284 CB SER A2073 -0.356 -8.726 -3.007 1.00 0.46 C ATOM 285 OG SER A2073 0.459 -8.925 -4.149 1.00 0.89 O ATOM 0 H SER A2073 -1.677 -8.088 -4.991 1.00 0.37 H new ATOM 0 HA SER A2073 -1.760 -10.343 -3.209 1.00 0.38 H new ATOM 0 HB2 SER A2073 -0.396 -7.664 -2.763 1.00 0.46 H new ATOM 0 HB3 SER A2073 0.083 -9.234 -2.148 1.00 0.46 H new ATOM 0 HG SER A2073 1.359 -8.579 -3.973 1.00 0.89 H new ATOM 291 N LYS A2074 -2.642 -9.351 -0.992 1.00 0.35 N ATOM 292 CA LYS A2074 -3.486 -8.956 0.129 1.00 0.34 C ATOM 293 C LYS A2074 -2.636 -8.506 1.320 1.00 0.34 C ATOM 294 O LYS A2074 -3.111 -7.793 2.201 1.00 0.42 O ATOM 295 CB LYS A2074 -4.406 -10.110 0.541 1.00 0.39 C ATOM 296 CG LYS A2074 -5.287 -10.639 -0.583 1.00 0.53 C ATOM 297 CD LYS A2074 -6.171 -9.551 -1.176 1.00 0.43 C ATOM 298 CE LYS A2074 -7.128 -10.114 -2.216 1.00 0.55 C ATOM 299 NZ LYS A2074 -6.412 -10.844 -3.297 1.00 1.13 N ATOM 0 H LYS A2074 -2.003 -10.119 -0.787 1.00 0.35 H new ATOM 0 HA LYS A2074 -4.101 -8.115 -0.191 1.00 0.34 H new ATOM 0 HB2 LYS A2074 -3.795 -10.928 0.924 1.00 0.39 H new ATOM 0 HB3 LYS A2074 -5.043 -9.777 1.360 1.00 0.39 H new ATOM 0 HG2 LYS A2074 -4.659 -11.063 -1.367 1.00 0.53 H new ATOM 0 HG3 LYS A2074 -5.912 -11.447 -0.204 1.00 0.53 H new ATOM 0 HD2 LYS A2074 -6.739 -9.069 -0.381 1.00 0.43 H new ATOM 0 HD3 LYS A2074 -5.547 -8.783 -1.633 1.00 0.43 H new ATOM 0 HE2 LYS A2074 -7.835 -10.787 -1.731 1.00 0.55 H new ATOM 0 HE3 LYS A2074 -7.709 -9.301 -2.651 1.00 0.55 H new ATOM 0 HZ1 LYS A2074 -7.026 -10.915 -4.134 1.00 1.13 H new ATOM 0 HZ2 LYS A2074 -5.544 -10.329 -3.547 1.00 1.13 H new ATOM 0 HZ3 LYS A2074 -6.166 -11.799 -2.967 1.00 1.13 H new ATOM 313 N GLU A2075 -1.380 -8.933 1.344 1.00 0.33 N ATOM 314 CA GLU A2075 -0.436 -8.505 2.371 1.00 0.32 C ATOM 315 C GLU A2075 0.989 -8.648 1.863 1.00 0.34 C ATOM 316 O GLU A2075 1.371 -9.691 1.333 1.00 0.47 O ATOM 317 CB GLU A2075 -0.631 -9.300 3.672 1.00 0.36 C ATOM 318 CG GLU A2075 0.599 -9.361 4.566 1.00 0.91 C ATOM 319 CD GLU A2075 0.425 -10.311 5.734 1.00 1.40 C ATOM 320 OE1 GLU A2075 0.899 -11.463 5.640 1.00 2.08 O ATOM 321 OE2 GLU A2075 -0.177 -9.914 6.754 1.00 1.88 O ATOM 0 H GLU A2075 -0.988 -9.580 0.659 1.00 0.33 H new ATOM 0 HA GLU A2075 -0.626 -7.455 2.594 1.00 0.32 H new ATOM 0 HB2 GLU A2075 -1.452 -8.855 4.235 1.00 0.36 H new ATOM 0 HB3 GLU A2075 -0.932 -10.317 3.420 1.00 0.36 H new ATOM 0 HG2 GLU A2075 1.459 -9.673 3.974 1.00 0.91 H new ATOM 0 HG3 GLU A2075 0.818 -8.363 4.944 1.00 0.91 H new ATOM 328 N LYS A2076 1.764 -7.588 2.008 1.00 0.35 N ATOM 329 CA LYS A2076 3.159 -7.601 1.605 1.00 0.38 C ATOM 330 C LYS A2076 4.055 -7.158 2.748 1.00 0.37 C ATOM 331 O LYS A2076 4.169 -5.965 3.034 1.00 0.37 O ATOM 332 CB LYS A2076 3.372 -6.704 0.384 1.00 0.44 C ATOM 333 CG LYS A2076 3.097 -7.403 -0.939 1.00 0.88 C ATOM 334 CD LYS A2076 4.376 -7.624 -1.741 1.00 0.91 C ATOM 335 CE LYS A2076 5.450 -8.343 -0.932 1.00 0.88 C ATOM 336 NZ LYS A2076 6.639 -8.670 -1.759 1.00 1.48 N ATOM 0 H LYS A2076 1.449 -6.703 2.404 1.00 0.35 H new ATOM 0 HA LYS A2076 3.426 -8.623 1.337 1.00 0.38 H new ATOM 0 HB2 LYS A2076 2.723 -5.832 0.466 1.00 0.44 H new ATOM 0 HB3 LYS A2076 4.399 -6.339 0.386 1.00 0.44 H new ATOM 0 HG2 LYS A2076 2.617 -8.363 -0.750 1.00 0.88 H new ATOM 0 HG3 LYS A2076 2.398 -6.807 -1.526 1.00 0.88 H new ATOM 0 HD2 LYS A2076 4.146 -8.206 -2.634 1.00 0.91 H new ATOM 0 HD3 LYS A2076 4.762 -6.662 -2.078 1.00 0.91 H new ATOM 0 HE2 LYS A2076 5.753 -7.717 -0.093 1.00 0.88 H new ATOM 0 HE3 LYS A2076 5.036 -9.260 -0.513 1.00 0.88 H new ATOM 0 HZ1 LYS A2076 7.228 -9.367 -1.260 1.00 1.48 H new ATOM 0 HZ2 LYS A2076 6.330 -9.066 -2.670 1.00 1.48 H new ATOM 0 HZ3 LYS A2076 7.193 -7.806 -1.927 1.00 1.48 H new ATOM 350 N THR A2077 4.667 -8.124 3.416 1.00 0.45 N ATOM 351 CA THR A2077 5.631 -7.830 4.457 1.00 0.47 C ATOM 352 C THR A2077 7.040 -7.883 3.899 1.00 0.52 C ATOM 353 O THR A2077 7.456 -8.892 3.328 1.00 0.63 O ATOM 354 CB THR A2077 5.544 -8.813 5.637 1.00 0.50 C ATOM 355 OG1 THR A2077 4.197 -8.877 6.130 1.00 0.48 O ATOM 356 CG2 THR A2077 6.486 -8.378 6.757 1.00 0.55 C ATOM 0 H THR A2077 4.511 -9.119 3.253 1.00 0.45 H new ATOM 0 HA THR A2077 5.395 -6.830 4.821 1.00 0.47 H new ATOM 0 HB THR A2077 5.842 -9.802 5.289 1.00 0.50 H new ATOM 0 HG1 THR A2077 4.153 -9.507 6.880 1.00 0.48 H new ATOM 0 HG21 THR A2077 6.415 -9.082 7.586 1.00 0.55 H new ATOM 0 HG22 THR A2077 7.510 -8.359 6.384 1.00 0.55 H new ATOM 0 HG23 THR A2077 6.206 -7.382 7.101 1.00 0.55 H new ATOM 364 N ILE A2078 7.762 -6.796 4.057 1.00 0.51 N ATOM 365 CA ILE A2078 9.141 -6.734 3.623 1.00 0.60 C ATOM 366 C ILE A2078 10.016 -6.286 4.792 1.00 0.60 C ATOM 367 O ILE A2078 9.766 -5.235 5.387 1.00 0.53 O ATOM 368 CB ILE A2078 9.300 -5.780 2.420 1.00 0.67 C ATOM 369 CG1 ILE A2078 8.413 -6.242 1.262 1.00 0.75 C ATOM 370 CG2 ILE A2078 10.751 -5.693 1.973 1.00 0.80 C ATOM 371 CD1 ILE A2078 7.309 -5.266 0.924 1.00 1.62 C ATOM 0 H ILE A2078 7.415 -5.938 4.485 1.00 0.51 H new ATOM 0 HA ILE A2078 9.457 -7.725 3.297 1.00 0.60 H new ATOM 0 HB ILE A2078 8.987 -4.784 2.733 1.00 0.67 H new ATOM 0 HG12 ILE A2078 9.033 -6.398 0.379 1.00 0.75 H new ATOM 0 HG13 ILE A2078 7.971 -7.206 1.515 1.00 0.75 H new ATOM 0 HG21 ILE A2078 10.830 -5.014 1.124 1.00 0.80 H new ATOM 0 HG22 ILE A2078 11.363 -5.320 2.794 1.00 0.80 H new ATOM 0 HG23 ILE A2078 11.101 -6.683 1.679 1.00 0.80 H new ATOM 0 HD11 ILE A2078 6.719 -5.657 0.095 1.00 1.62 H new ATOM 0 HD12 ILE A2078 6.666 -5.129 1.793 1.00 1.62 H new ATOM 0 HD13 ILE A2078 7.745 -4.308 0.640 1.00 1.62 H new ATOM 383 N PRO A2079 11.020 -7.105 5.160 1.00 0.72 N ATOM 384 CA PRO A2079 11.884 -6.852 6.322 1.00 0.79 C ATOM 385 C PRO A2079 12.487 -5.451 6.331 1.00 0.74 C ATOM 386 O PRO A2079 13.350 -5.124 5.514 1.00 0.76 O ATOM 387 CB PRO A2079 12.987 -7.903 6.184 1.00 0.94 C ATOM 388 CG PRO A2079 12.357 -9.009 5.415 1.00 0.98 C ATOM 389 CD PRO A2079 11.388 -8.357 4.469 1.00 0.85 C ATOM 0 HA PRO A2079 11.321 -6.915 7.253 1.00 0.79 H new ATOM 0 HB2 PRO A2079 13.855 -7.501 5.661 1.00 0.94 H new ATOM 0 HB3 PRO A2079 13.333 -8.245 7.159 1.00 0.94 H new ATOM 0 HG2 PRO A2079 13.107 -9.583 4.871 1.00 0.98 H new ATOM 0 HG3 PRO A2079 11.845 -9.704 6.080 1.00 0.98 H new ATOM 0 HD2 PRO A2079 11.845 -8.161 3.499 1.00 0.85 H new ATOM 0 HD3 PRO A2079 10.517 -8.987 4.289 1.00 0.85 H new ATOM 397 N GLY A2080 12.019 -4.631 7.262 1.00 0.73 N ATOM 398 CA GLY A2080 12.538 -3.290 7.412 1.00 0.76 C ATOM 399 C GLY A2080 11.723 -2.259 6.660 1.00 0.70 C ATOM 400 O GLY A2080 11.956 -1.059 6.799 1.00 0.94 O ATOM 0 H GLY A2080 11.281 -4.876 7.922 1.00 0.73 H new ATOM 0 HA2 GLY A2080 12.558 -3.029 8.470 1.00 0.76 H new ATOM 0 HA3 GLY A2080 13.568 -3.262 7.057 1.00 0.76 H new ATOM 404 N GLN A2081 10.759 -2.718 5.877 1.00 0.54 N ATOM 405 CA GLN A2081 9.975 -1.823 5.035 1.00 0.53 C ATOM 406 C GLN A2081 8.549 -1.696 5.568 1.00 0.50 C ATOM 407 O GLN A2081 7.921 -0.640 5.463 1.00 0.57 O ATOM 408 CB GLN A2081 9.982 -2.340 3.595 1.00 0.57 C ATOM 409 CG GLN A2081 9.147 -1.526 2.624 1.00 0.95 C ATOM 410 CD GLN A2081 9.272 -2.044 1.205 1.00 1.09 C ATOM 411 OE1 GLN A2081 10.308 -2.578 0.819 1.00 2.02 O ATOM 412 NE2 GLN A2081 8.219 -1.897 0.422 1.00 0.87 N ATOM 0 H GLN A2081 10.500 -3.702 5.806 1.00 0.54 H new ATOM 0 HA GLN A2081 10.422 -0.829 5.052 1.00 0.53 H new ATOM 0 HB2 GLN A2081 11.011 -2.363 3.237 1.00 0.57 H new ATOM 0 HB3 GLN A2081 9.620 -3.368 3.591 1.00 0.57 H new ATOM 0 HG2 GLN A2081 8.101 -1.554 2.931 1.00 0.95 H new ATOM 0 HG3 GLN A2081 9.461 -0.483 2.660 1.00 0.95 H new ATOM 0 HE21 GLN A2081 7.376 -1.448 0.780 1.00 0.87 H new ATOM 0 HE22 GLN A2081 8.248 -2.233 -0.541 1.00 0.87 H new ATOM 421 N GLY A2082 8.046 -2.779 6.145 1.00 0.47 N ATOM 422 CA GLY A2082 6.734 -2.747 6.757 1.00 0.50 C ATOM 423 C GLY A2082 5.782 -3.748 6.141 1.00 0.40 C ATOM 424 O GLY A2082 6.207 -4.769 5.592 1.00 0.45 O ATOM 0 H GLY A2082 8.524 -3.679 6.200 1.00 0.47 H new ATOM 0 HA2 GLY A2082 6.829 -2.950 7.824 1.00 0.50 H new ATOM 0 HA3 GLY A2082 6.316 -1.745 6.659 1.00 0.50 H new ATOM 428 N THR A2083 4.491 -3.469 6.248 1.00 0.33 N ATOM 429 CA THR A2083 3.468 -4.322 5.668 1.00 0.29 C ATOM 430 C THR A2083 2.243 -3.505 5.292 1.00 0.25 C ATOM 431 O THR A2083 1.819 -2.610 6.027 1.00 0.30 O ATOM 432 CB THR A2083 3.032 -5.452 6.629 1.00 0.36 C ATOM 433 OG1 THR A2083 4.180 -6.178 7.078 1.00 0.49 O ATOM 434 CG2 THR A2083 2.060 -6.415 5.944 1.00 0.36 C ATOM 0 H THR A2083 4.127 -2.651 6.736 1.00 0.33 H new ATOM 0 HA THR A2083 3.909 -4.774 4.780 1.00 0.29 H new ATOM 0 HB THR A2083 2.526 -4.995 7.479 1.00 0.36 H new ATOM 0 HG1 THR A2083 4.097 -7.118 6.813 1.00 0.49 H new ATOM 0 HG21 THR A2083 1.771 -7.199 6.644 1.00 0.36 H new ATOM 0 HG22 THR A2083 1.173 -5.869 5.623 1.00 0.36 H new ATOM 0 HG23 THR A2083 2.543 -6.864 5.076 1.00 0.36 H new ATOM 442 N TYR A2084 1.701 -3.795 4.132 1.00 0.28 N ATOM 443 CA TYR A2084 0.427 -3.243 3.731 1.00 0.34 C ATOM 444 C TYR A2084 -0.576 -4.384 3.702 1.00 0.32 C ATOM 445 O TYR A2084 -0.357 -5.380 3.009 1.00 0.29 O ATOM 446 CB TYR A2084 0.534 -2.586 2.354 1.00 0.43 C ATOM 447 CG TYR A2084 1.926 -2.122 1.995 1.00 0.44 C ATOM 448 CD1 TYR A2084 2.775 -2.943 1.263 1.00 1.13 C ATOM 449 CD2 TYR A2084 2.393 -0.872 2.381 1.00 1.38 C ATOM 450 CE1 TYR A2084 4.045 -2.533 0.925 1.00 1.15 C ATOM 451 CE2 TYR A2084 3.667 -0.456 2.046 1.00 1.44 C ATOM 452 CZ TYR A2084 4.488 -1.292 1.318 1.00 0.62 C ATOM 453 OH TYR A2084 5.754 -0.886 0.975 1.00 0.76 O ATOM 0 H TYR A2084 2.127 -4.416 3.444 1.00 0.28 H new ATOM 0 HA TYR A2084 0.108 -2.473 4.434 1.00 0.34 H new ATOM 0 HB2 TYR A2084 0.193 -3.294 1.599 1.00 0.43 H new ATOM 0 HB3 TYR A2084 -0.142 -1.732 2.318 1.00 0.43 H new ATOM 0 HD1 TYR A2084 2.433 -3.920 0.954 1.00 1.13 H new ATOM 0 HD2 TYR A2084 1.751 -0.216 2.951 1.00 1.38 H new ATOM 0 HE1 TYR A2084 4.691 -3.183 0.354 1.00 1.15 H new ATOM 0 HE2 TYR A2084 4.018 0.518 2.352 1.00 1.44 H new ATOM 0 HH TYR A2084 5.718 0.022 0.608 1.00 0.76 H new ATOM 463 N THR A2085 -1.644 -4.267 4.470 1.00 0.39 N ATOM 464 CA THR A2085 -2.570 -5.375 4.644 1.00 0.40 C ATOM 465 C THR A2085 -3.979 -5.050 4.160 1.00 0.41 C ATOM 466 O THR A2085 -4.360 -3.881 4.026 1.00 0.49 O ATOM 467 CB THR A2085 -2.633 -5.796 6.122 1.00 0.46 C ATOM 468 OG1 THR A2085 -2.593 -4.631 6.951 1.00 0.63 O ATOM 469 CG2 THR A2085 -1.483 -6.719 6.487 1.00 0.57 C ATOM 0 H THR A2085 -1.892 -3.420 4.982 1.00 0.39 H new ATOM 0 HA THR A2085 -2.187 -6.193 4.033 1.00 0.40 H new ATOM 0 HB THR A2085 -3.565 -6.338 6.281 1.00 0.46 H new ATOM 0 HG1 THR A2085 -2.635 -4.898 7.893 1.00 0.63 H new ATOM 0 HG21 THR A2085 -1.559 -6.997 7.538 1.00 0.57 H new ATOM 0 HG22 THR A2085 -1.527 -7.617 5.871 1.00 0.57 H new ATOM 0 HG23 THR A2085 -0.536 -6.207 6.314 1.00 0.57 H new ATOM 477 N ILE A2086 -4.730 -6.106 3.868 1.00 0.39 N ATOM 478 CA ILE A2086 -6.142 -6.000 3.552 1.00 0.40 C ATOM 479 C ILE A2086 -6.818 -7.353 3.769 1.00 0.45 C ATOM 480 O ILE A2086 -6.383 -8.375 3.229 1.00 0.55 O ATOM 481 CB ILE A2086 -6.372 -5.485 2.098 1.00 0.47 C ATOM 482 CG1 ILE A2086 -7.868 -5.286 1.788 1.00 0.56 C ATOM 483 CG2 ILE A2086 -5.731 -6.409 1.073 1.00 0.57 C ATOM 484 CD1 ILE A2086 -8.605 -6.539 1.349 1.00 1.18 C ATOM 0 H ILE A2086 -4.372 -7.061 3.845 1.00 0.39 H new ATOM 0 HA ILE A2086 -6.590 -5.266 4.221 1.00 0.40 H new ATOM 0 HB ILE A2086 -5.887 -4.511 2.029 1.00 0.47 H new ATOM 0 HG12 ILE A2086 -8.358 -4.887 2.676 1.00 0.56 H new ATOM 0 HG13 ILE A2086 -7.964 -4.533 1.006 1.00 0.56 H new ATOM 0 HG21 ILE A2086 -5.910 -6.021 0.070 1.00 0.57 H new ATOM 0 HG22 ILE A2086 -4.658 -6.464 1.254 1.00 0.57 H new ATOM 0 HG23 ILE A2086 -6.165 -7.405 1.159 1.00 0.57 H new ATOM 0 HD11 ILE A2086 -9.650 -6.297 1.154 1.00 1.18 H new ATOM 0 HD12 ILE A2086 -8.148 -6.931 0.440 1.00 1.18 H new ATOM 0 HD13 ILE A2086 -8.547 -7.290 2.137 1.00 1.18 H new ATOM 496 N VAL A2087 -7.850 -7.369 4.599 1.00 0.49 N ATOM 497 CA VAL A2087 -8.651 -8.567 4.784 1.00 0.59 C ATOM 498 C VAL A2087 -10.004 -8.365 4.109 1.00 0.58 C ATOM 499 O VAL A2087 -10.426 -7.225 3.898 1.00 0.53 O ATOM 500 CB VAL A2087 -8.844 -8.918 6.281 1.00 0.73 C ATOM 501 CG1 VAL A2087 -7.507 -8.953 7.002 1.00 0.78 C ATOM 502 CG2 VAL A2087 -9.802 -7.956 6.967 1.00 0.80 C ATOM 0 H VAL A2087 -8.151 -6.568 5.153 1.00 0.49 H new ATOM 0 HA VAL A2087 -8.123 -9.405 4.329 1.00 0.59 H new ATOM 0 HB VAL A2087 -9.289 -9.912 6.329 1.00 0.73 H new ATOM 0 HG11 VAL A2087 -7.666 -9.201 8.051 1.00 0.78 H new ATOM 0 HG12 VAL A2087 -6.866 -9.706 6.544 1.00 0.78 H new ATOM 0 HG13 VAL A2087 -7.028 -7.976 6.929 1.00 0.78 H new ATOM 0 HG21 VAL A2087 -9.911 -8.236 8.015 1.00 0.80 H new ATOM 0 HG22 VAL A2087 -9.408 -6.942 6.901 1.00 0.80 H new ATOM 0 HG23 VAL A2087 -10.775 -8.000 6.477 1.00 0.80 H new ATOM 512 N PRO A2088 -10.700 -9.464 3.759 1.00 0.66 N ATOM 513 CA PRO A2088 -11.924 -9.422 2.939 1.00 0.68 C ATOM 514 C PRO A2088 -13.082 -8.645 3.574 1.00 0.66 C ATOM 515 O PRO A2088 -14.164 -8.558 2.992 1.00 0.69 O ATOM 516 CB PRO A2088 -12.308 -10.896 2.772 1.00 0.81 C ATOM 517 CG PRO A2088 -11.077 -11.665 3.107 1.00 0.97 C ATOM 518 CD PRO A2088 -10.346 -10.846 4.126 1.00 0.78 C ATOM 0 HA PRO A2088 -11.733 -8.897 2.003 1.00 0.68 H new ATOM 0 HB2 PRO A2088 -13.132 -11.165 3.433 1.00 0.81 H new ATOM 0 HB3 PRO A2088 -12.636 -11.104 1.754 1.00 0.81 H new ATOM 0 HG2 PRO A2088 -11.327 -12.649 3.503 1.00 0.97 H new ATOM 0 HG3 PRO A2088 -10.463 -11.825 2.221 1.00 0.97 H new ATOM 0 HD2 PRO A2088 -10.663 -11.088 5.140 1.00 0.78 H new ATOM 0 HD3 PRO A2088 -9.270 -11.012 4.080 1.00 0.78 H new ATOM 526 N ASP A2089 -12.862 -8.095 4.764 1.00 0.67 N ATOM 527 CA ASP A2089 -13.850 -7.229 5.397 1.00 0.73 C ATOM 528 C ASP A2089 -13.734 -5.815 4.848 1.00 0.66 C ATOM 529 O ASP A2089 -14.610 -4.979 5.066 1.00 0.73 O ATOM 530 CB ASP A2089 -13.671 -7.203 6.917 1.00 0.85 C ATOM 531 CG ASP A2089 -14.094 -8.495 7.580 1.00 1.59 C ATOM 532 OD1 ASP A2089 -15.306 -8.683 7.811 1.00 2.29 O ATOM 533 OD2 ASP A2089 -13.218 -9.330 7.880 1.00 2.26 O ATOM 0 H ASP A2089 -12.010 -8.233 5.308 1.00 0.67 H new ATOM 0 HA ASP A2089 -14.839 -7.629 5.172 1.00 0.73 H new ATOM 0 HB2 ASP A2089 -12.625 -7.005 7.152 1.00 0.85 H new ATOM 0 HB3 ASP A2089 -14.252 -6.380 7.333 1.00 0.85 H new ATOM 538 N GLY A2090 -12.642 -5.558 4.137 1.00 0.59 N ATOM 539 CA GLY A2090 -12.422 -4.250 3.557 1.00 0.63 C ATOM 540 C GLY A2090 -11.527 -3.383 4.416 1.00 0.70 C ATOM 541 O GLY A2090 -11.684 -2.165 4.453 1.00 0.83 O ATOM 0 H GLY A2090 -11.903 -6.237 3.952 1.00 0.59 H new ATOM 0 HA2 GLY A2090 -11.975 -4.364 2.570 1.00 0.63 H new ATOM 0 HA3 GLY A2090 -13.381 -3.751 3.417 1.00 0.63 H new ATOM 545 N THR A2091 -10.586 -4.009 5.109 1.00 0.70 N ATOM 546 CA THR A2091 -9.676 -3.281 5.978 1.00 0.79 C ATOM 547 C THR A2091 -8.461 -2.809 5.192 1.00 0.60 C ATOM 548 O THR A2091 -7.907 -3.555 4.384 1.00 0.59 O ATOM 549 CB THR A2091 -9.214 -4.152 7.161 1.00 1.05 C ATOM 550 OG1 THR A2091 -8.439 -5.260 6.683 1.00 1.51 O ATOM 551 CG2 THR A2091 -10.409 -4.671 7.947 1.00 0.86 C ATOM 0 H THR A2091 -10.434 -5.017 5.086 1.00 0.70 H new ATOM 0 HA THR A2091 -10.214 -2.419 6.372 1.00 0.79 H new ATOM 0 HB THR A2091 -8.601 -3.536 7.819 1.00 1.05 H new ATOM 0 HG1 THR A2091 -8.016 -5.715 7.441 1.00 1.51 H new ATOM 0 HG21 THR A2091 -10.060 -5.284 8.778 1.00 0.86 H new ATOM 0 HG22 THR A2091 -10.984 -3.829 8.333 1.00 0.86 H new ATOM 0 HG23 THR A2091 -11.041 -5.272 7.293 1.00 0.86 H new ATOM 559 N VAL A2092 -8.055 -1.570 5.407 1.00 0.60 N ATOM 560 CA VAL A2092 -6.938 -1.010 4.667 1.00 0.54 C ATOM 561 C VAL A2092 -6.004 -0.224 5.575 1.00 0.55 C ATOM 562 O VAL A2092 -6.435 0.665 6.306 1.00 0.78 O ATOM 563 CB VAL A2092 -7.416 -0.079 3.532 1.00 0.79 C ATOM 564 CG1 VAL A2092 -6.229 0.442 2.735 1.00 1.02 C ATOM 565 CG2 VAL A2092 -8.409 -0.787 2.621 1.00 1.18 C ATOM 0 H VAL A2092 -8.479 -0.936 6.084 1.00 0.60 H new ATOM 0 HA VAL A2092 -6.402 -1.857 4.239 1.00 0.54 H new ATOM 0 HB VAL A2092 -7.928 0.770 3.985 1.00 0.79 H new ATOM 0 HG11 VAL A2092 -6.584 1.097 1.939 1.00 1.02 H new ATOM 0 HG12 VAL A2092 -5.565 1.000 3.395 1.00 1.02 H new ATOM 0 HG13 VAL A2092 -5.687 -0.397 2.300 1.00 1.02 H new ATOM 0 HG21 VAL A2092 -8.728 -0.106 1.831 1.00 1.18 H new ATOM 0 HG22 VAL A2092 -7.935 -1.662 2.176 1.00 1.18 H new ATOM 0 HG23 VAL A2092 -9.276 -1.100 3.202 1.00 1.18 H new ATOM 575 N THR A2093 -4.729 -0.571 5.533 1.00 0.47 N ATOM 576 CA THR A2093 -3.711 0.212 6.201 1.00 0.53 C ATOM 577 C THR A2093 -2.402 0.162 5.417 1.00 0.44 C ATOM 578 O THR A2093 -1.746 -0.879 5.322 1.00 0.41 O ATOM 579 CB THR A2093 -3.490 -0.240 7.669 1.00 0.71 C ATOM 580 OG1 THR A2093 -2.399 0.486 8.261 1.00 1.46 O ATOM 581 CG2 THR A2093 -3.224 -1.735 7.769 1.00 0.71 C ATOM 0 H THR A2093 -4.376 -1.392 5.041 1.00 0.47 H new ATOM 0 HA THR A2093 -4.064 1.243 6.236 1.00 0.53 H new ATOM 0 HB THR A2093 -4.409 -0.024 8.213 1.00 0.71 H new ATOM 0 HG1 THR A2093 -1.551 0.067 8.006 1.00 1.46 H new ATOM 0 HG21 THR A2093 -3.075 -2.009 8.813 1.00 0.71 H new ATOM 0 HG22 THR A2093 -4.076 -2.284 7.368 1.00 0.71 H new ATOM 0 HG23 THR A2093 -2.330 -1.985 7.197 1.00 0.71 H new ATOM 589 N PHE A2094 -2.049 1.287 4.813 1.00 0.46 N ATOM 590 CA PHE A2094 -0.782 1.406 4.113 1.00 0.42 C ATOM 591 C PHE A2094 0.291 1.778 5.124 1.00 0.43 C ATOM 592 O PHE A2094 0.361 2.927 5.568 1.00 0.52 O ATOM 593 CB PHE A2094 -0.862 2.464 2.991 1.00 0.51 C ATOM 594 CG PHE A2094 -1.922 2.190 1.948 1.00 0.47 C ATOM 595 CD1 PHE A2094 -2.305 3.175 1.039 1.00 1.21 C ATOM 596 CD2 PHE A2094 -2.541 0.952 1.877 1.00 1.26 C ATOM 597 CE1 PHE A2094 -3.276 2.921 0.093 1.00 1.23 C ATOM 598 CE2 PHE A2094 -3.511 0.701 0.932 1.00 1.27 C ATOM 599 CZ PHE A2094 -3.879 1.686 0.040 1.00 0.55 C ATOM 0 H PHE A2094 -2.623 2.130 4.794 1.00 0.46 H new ATOM 0 HA PHE A2094 -0.537 0.454 3.641 1.00 0.42 H new ATOM 0 HB2 PHE A2094 -1.055 3.438 3.440 1.00 0.51 H new ATOM 0 HB3 PHE A2094 0.108 2.527 2.498 1.00 0.51 H new ATOM 0 HD1 PHE A2094 -1.836 4.147 1.076 1.00 1.21 H new ATOM 0 HD2 PHE A2094 -2.259 0.174 2.571 1.00 1.26 H new ATOM 0 HE1 PHE A2094 -3.563 3.692 -0.606 1.00 1.23 H new ATOM 0 HE2 PHE A2094 -3.984 -0.269 0.890 1.00 1.27 H new ATOM 0 HZ PHE A2094 -4.640 1.488 -0.700 1.00 0.55 H new ATOM 609 N THR A2095 1.091 0.797 5.530 1.00 0.37 N ATOM 610 CA THR A2095 2.115 1.028 6.533 1.00 0.39 C ATOM 611 C THR A2095 3.511 0.957 5.911 1.00 0.37 C ATOM 612 O THR A2095 4.129 -0.109 5.862 1.00 0.37 O ATOM 613 CB THR A2095 2.000 -0.010 7.662 1.00 0.47 C ATOM 614 OG1 THR A2095 0.614 -0.283 7.930 1.00 0.58 O ATOM 615 CG2 THR A2095 2.678 0.489 8.930 1.00 0.58 C ATOM 0 H THR A2095 1.048 -0.160 5.180 1.00 0.37 H new ATOM 0 HA THR A2095 1.965 2.026 6.945 1.00 0.39 H new ATOM 0 HB THR A2095 2.499 -0.924 7.341 1.00 0.47 H new ATOM 0 HG1 THR A2095 0.544 -0.946 8.649 1.00 0.58 H new ATOM 0 HG21 THR A2095 2.583 -0.263 9.713 1.00 0.58 H new ATOM 0 HG22 THR A2095 3.734 0.673 8.730 1.00 0.58 H new ATOM 0 HG23 THR A2095 2.204 1.415 9.256 1.00 0.58 H new ATOM 623 N PRO A2096 4.012 2.095 5.411 1.00 0.50 N ATOM 624 CA PRO A2096 5.318 2.186 4.781 1.00 0.61 C ATOM 625 C PRO A2096 6.419 2.570 5.768 1.00 0.69 C ATOM 626 O PRO A2096 6.139 2.984 6.897 1.00 0.81 O ATOM 627 CB PRO A2096 5.097 3.301 3.763 1.00 0.88 C ATOM 628 CG PRO A2096 4.097 4.215 4.396 1.00 0.98 C ATOM 629 CD PRO A2096 3.340 3.406 5.423 1.00 0.69 C ATOM 0 HA PRO A2096 5.651 1.239 4.356 1.00 0.61 H new ATOM 0 HB2 PRO A2096 6.027 3.825 3.545 1.00 0.88 H new ATOM 0 HB3 PRO A2096 4.726 2.904 2.818 1.00 0.88 H new ATOM 0 HG2 PRO A2096 4.594 5.064 4.865 1.00 0.98 H new ATOM 0 HG3 PRO A2096 3.416 4.619 3.647 1.00 0.98 H new ATOM 0 HD2 PRO A2096 3.386 3.869 6.409 1.00 0.69 H new ATOM 0 HD3 PRO A2096 2.286 3.316 5.162 1.00 0.69 H new ATOM 637 N ASP A2097 7.665 2.419 5.353 1.00 0.89 N ATOM 638 CA ASP A2097 8.795 2.926 6.123 1.00 1.14 C ATOM 639 C ASP A2097 9.728 3.700 5.202 1.00 1.37 C ATOM 640 O ASP A2097 10.383 3.120 4.339 1.00 1.39 O ATOM 641 CB ASP A2097 9.557 1.786 6.805 1.00 1.24 C ATOM 642 CG ASP A2097 10.627 2.292 7.756 1.00 2.06 C ATOM 643 OD1 ASP A2097 10.399 2.272 8.984 1.00 2.61 O ATOM 644 OD2 ASP A2097 11.701 2.711 7.286 1.00 2.72 O ATOM 0 H ASP A2097 7.923 1.949 4.486 1.00 0.89 H new ATOM 0 HA ASP A2097 8.415 3.587 6.902 1.00 1.14 H new ATOM 0 HB2 ASP A2097 8.854 1.160 7.354 1.00 1.24 H new ATOM 0 HB3 ASP A2097 10.019 1.156 6.045 1.00 1.24 H new ATOM 649 N LYS A2098 9.773 5.015 5.374 1.00 1.89 N ATOM 650 CA LYS A2098 10.573 5.865 4.497 1.00 2.37 C ATOM 651 C LYS A2098 12.003 6.009 5.014 1.00 2.32 C ATOM 652 O LYS A2098 12.723 6.932 4.630 1.00 2.66 O ATOM 653 CB LYS A2098 9.927 7.251 4.323 1.00 3.03 C ATOM 654 CG LYS A2098 10.057 8.191 5.523 1.00 3.48 C ATOM 655 CD LYS A2098 9.164 7.786 6.684 1.00 4.03 C ATOM 656 CE LYS A2098 9.146 8.848 7.776 1.00 4.43 C ATOM 657 NZ LYS A2098 8.548 10.126 7.306 1.00 4.81 N ATOM 0 H LYS A2098 9.269 5.515 6.107 1.00 1.89 H new ATOM 0 HA LYS A2098 10.610 5.378 3.522 1.00 2.37 H new ATOM 0 HB2 LYS A2098 10.373 7.735 3.454 1.00 3.03 H new ATOM 0 HB3 LYS A2098 8.868 7.115 4.103 1.00 3.03 H new ATOM 0 HG2 LYS A2098 11.095 8.207 5.856 1.00 3.48 H new ATOM 0 HG3 LYS A2098 9.806 9.206 5.214 1.00 3.48 H new ATOM 0 HD2 LYS A2098 8.150 7.619 6.322 1.00 4.03 H new ATOM 0 HD3 LYS A2098 9.514 6.841 7.100 1.00 4.03 H new ATOM 0 HE2 LYS A2098 8.581 8.478 8.632 1.00 4.43 H new ATOM 0 HE3 LYS A2098 10.164 9.030 8.120 1.00 4.43 H new ATOM 0 HZ1 LYS A2098 8.276 10.704 8.126 1.00 4.81 H new ATOM 0 HZ2 LYS A2098 9.244 10.645 6.732 1.00 4.81 H new ATOM 0 HZ3 LYS A2098 7.706 9.924 6.730 1.00 4.81 H new ATOM 671 N GLN A2099 12.411 5.099 5.884 1.00 2.03 N ATOM 672 CA GLN A2099 13.757 5.121 6.430 1.00 2.09 C ATOM 673 C GLN A2099 14.487 3.831 6.079 1.00 1.67 C ATOM 674 O GLN A2099 15.601 3.585 6.542 1.00 1.81 O ATOM 675 CB GLN A2099 13.713 5.313 7.947 1.00 2.41 C ATOM 676 CG GLN A2099 13.054 6.615 8.372 1.00 2.99 C ATOM 677 CD GLN A2099 13.051 6.819 9.875 1.00 3.86 C ATOM 678 OE1 GLN A2099 13.114 7.952 10.355 1.00 4.40 O ATOM 679 NE2 GLN A2099 12.974 5.734 10.628 1.00 4.42 N ATOM 0 H GLN A2099 11.828 4.335 6.227 1.00 2.03 H new ATOM 0 HA GLN A2099 14.299 5.959 5.991 1.00 2.09 H new ATOM 0 HB2 GLN A2099 13.174 4.478 8.396 1.00 2.41 H new ATOM 0 HB3 GLN A2099 14.730 5.284 8.339 1.00 2.41 H new ATOM 0 HG2 GLN A2099 13.573 7.449 7.899 1.00 2.99 H new ATOM 0 HG3 GLN A2099 12.027 6.631 8.007 1.00 2.99 H new ATOM 0 HE21 GLN A2099 12.923 4.813 10.192 1.00 4.42 H new ATOM 0 HE22 GLN A2099 12.965 5.818 11.644 1.00 4.42 H new ATOM 688 N PHE A2100 13.850 3.020 5.247 1.00 1.40 N ATOM 689 CA PHE A2100 14.410 1.741 4.838 1.00 1.20 C ATOM 690 C PHE A2100 15.381 1.915 3.679 1.00 1.31 C ATOM 691 O PHE A2100 14.988 2.289 2.572 1.00 1.72 O ATOM 692 CB PHE A2100 13.293 0.770 4.443 1.00 1.32 C ATOM 693 CG PHE A2100 13.795 -0.555 3.940 1.00 1.46 C ATOM 694 CD1 PHE A2100 13.520 -0.969 2.645 1.00 1.93 C ATOM 695 CD2 PHE A2100 14.549 -1.381 4.757 1.00 2.04 C ATOM 696 CE1 PHE A2100 13.985 -2.183 2.180 1.00 2.23 C ATOM 697 CE2 PHE A2100 15.016 -2.596 4.294 1.00 2.36 C ATOM 698 CZ PHE A2100 14.733 -2.997 3.004 1.00 2.18 C ATOM 0 H PHE A2100 12.938 3.228 4.840 1.00 1.40 H new ATOM 0 HA PHE A2100 14.957 1.328 5.686 1.00 1.20 H new ATOM 0 HB2 PHE A2100 12.649 0.601 5.306 1.00 1.32 H new ATOM 0 HB3 PHE A2100 12.678 1.232 3.671 1.00 1.32 H new ATOM 0 HD1 PHE A2100 12.936 -0.335 1.994 1.00 1.93 H new ATOM 0 HD2 PHE A2100 14.774 -1.072 5.767 1.00 2.04 H new ATOM 0 HE1 PHE A2100 13.763 -2.495 1.170 1.00 2.23 H new ATOM 0 HE2 PHE A2100 15.602 -3.232 4.941 1.00 2.36 H new ATOM 0 HZ PHE A2100 15.097 -3.947 2.641 1.00 2.18 H new ATOM 708 N VAL A2101 16.649 1.654 3.943 1.00 1.55 N ATOM 709 CA VAL A2101 17.663 1.686 2.909 1.00 1.92 C ATOM 710 C VAL A2101 18.208 0.282 2.682 1.00 2.31 C ATOM 711 O VAL A2101 19.058 -0.201 3.430 1.00 2.68 O ATOM 712 CB VAL A2101 18.818 2.643 3.271 1.00 2.35 C ATOM 713 CG1 VAL A2101 19.826 2.722 2.136 1.00 2.67 C ATOM 714 CG2 VAL A2101 18.285 4.027 3.608 1.00 2.45 C ATOM 0 H VAL A2101 17.000 1.416 4.871 1.00 1.55 H new ATOM 0 HA VAL A2101 17.198 2.056 1.995 1.00 1.92 H new ATOM 0 HB VAL A2101 19.323 2.247 4.152 1.00 2.35 H new ATOM 0 HG11 VAL A2101 20.632 3.402 2.412 1.00 2.67 H new ATOM 0 HG12 VAL A2101 20.237 1.731 1.945 1.00 2.67 H new ATOM 0 HG13 VAL A2101 19.333 3.090 1.236 1.00 2.67 H new ATOM 0 HG21 VAL A2101 19.116 4.686 3.860 1.00 2.45 H new ATOM 0 HG22 VAL A2101 17.750 4.430 2.748 1.00 2.45 H new ATOM 0 HG23 VAL A2101 17.606 3.958 4.458 1.00 2.45 H new ATOM 724 N GLY A2102 17.698 -0.372 1.651 1.00 2.55 N ATOM 725 CA GLY A2102 18.110 -1.725 1.347 1.00 3.15 C ATOM 726 C GLY A2102 17.263 -2.329 0.253 1.00 3.22 C ATOM 727 O GLY A2102 16.850 -3.487 0.343 1.00 3.84 O ATOM 0 H GLY A2102 17.000 0.014 1.015 1.00 2.55 H new ATOM 0 HA2 GLY A2102 19.156 -1.728 1.042 1.00 3.15 H new ATOM 0 HA3 GLY A2102 18.038 -2.339 2.245 1.00 3.15 H new ATOM 731 N LYS A2103 17.010 -1.525 -0.777 1.00 2.91 N ATOM 732 CA LYS A2103 16.180 -1.913 -1.917 1.00 3.06 C ATOM 733 C LYS A2103 14.755 -2.261 -1.479 1.00 2.39 C ATOM 734 O LYS A2103 14.433 -3.431 -1.264 1.00 2.33 O ATOM 735 CB LYS A2103 16.798 -3.096 -2.671 1.00 3.80 C ATOM 736 CG LYS A2103 16.078 -3.423 -3.972 1.00 4.59 C ATOM 737 CD LYS A2103 16.592 -4.708 -4.599 1.00 5.33 C ATOM 738 CE LYS A2103 16.261 -5.921 -3.743 1.00 6.21 C ATOM 739 NZ LYS A2103 16.684 -7.188 -4.392 1.00 6.78 N ATOM 0 H LYS A2103 17.379 -0.576 -0.845 1.00 2.91 H new ATOM 0 HA LYS A2103 16.133 -1.055 -2.588 1.00 3.06 H new ATOM 0 HB2 LYS A2103 17.843 -2.874 -2.888 1.00 3.80 H new ATOM 0 HB3 LYS A2103 16.786 -3.975 -2.026 1.00 3.80 H new ATOM 0 HG2 LYS A2103 15.009 -3.515 -3.781 1.00 4.59 H new ATOM 0 HG3 LYS A2103 16.207 -2.600 -4.675 1.00 4.59 H new ATOM 0 HD2 LYS A2103 16.154 -4.831 -5.590 1.00 5.33 H new ATOM 0 HD3 LYS A2103 17.672 -4.641 -4.734 1.00 5.33 H new ATOM 0 HE2 LYS A2103 16.753 -5.827 -2.775 1.00 6.21 H new ATOM 0 HE3 LYS A2103 15.188 -5.950 -3.554 1.00 6.21 H new ATOM 0 HZ1 LYS A2103 16.441 -7.991 -3.777 1.00 6.78 H new ATOM 0 HZ2 LYS A2103 16.196 -7.290 -5.305 1.00 6.78 H new ATOM 0 HZ3 LYS A2103 17.712 -7.171 -4.549 1.00 6.78 H new ATOM 753 N PRO A2104 13.888 -1.246 -1.323 1.00 2.06 N ATOM 754 CA PRO A2104 12.469 -1.469 -1.040 1.00 1.50 C ATOM 755 C PRO A2104 11.814 -2.297 -2.142 1.00 1.35 C ATOM 756 O PRO A2104 12.029 -2.042 -3.330 1.00 1.62 O ATOM 757 CB PRO A2104 11.870 -0.057 -0.992 1.00 1.62 C ATOM 758 CG PRO A2104 12.883 0.829 -1.636 1.00 2.21 C ATOM 759 CD PRO A2104 14.216 0.183 -1.397 1.00 2.43 C ATOM 0 HA PRO A2104 12.312 -2.024 -0.115 1.00 1.50 H new ATOM 0 HB2 PRO A2104 10.919 -0.016 -1.523 1.00 1.62 H new ATOM 0 HB3 PRO A2104 11.675 0.252 0.035 1.00 1.62 H new ATOM 0 HG2 PRO A2104 12.687 0.933 -2.703 1.00 2.21 H new ATOM 0 HG3 PRO A2104 12.853 1.831 -1.207 1.00 2.21 H new ATOM 0 HD2 PRO A2104 14.916 0.394 -2.205 1.00 2.43 H new ATOM 0 HD3 PRO A2104 14.676 0.539 -0.475 1.00 2.43 H new ATOM 767 N ASP A2105 11.034 -3.292 -1.739 1.00 1.04 N ATOM 768 CA ASP A2105 10.391 -4.202 -2.682 1.00 0.98 C ATOM 769 C ASP A2105 9.455 -3.446 -3.613 1.00 0.79 C ATOM 770 O ASP A2105 8.574 -2.713 -3.155 1.00 0.78 O ATOM 771 CB ASP A2105 9.616 -5.292 -1.934 1.00 1.06 C ATOM 772 CG ASP A2105 8.831 -6.205 -2.860 1.00 1.66 C ATOM 773 OD1 ASP A2105 9.439 -6.813 -3.764 1.00 2.16 O ATOM 774 OD2 ASP A2105 7.602 -6.345 -2.671 1.00 2.33 O ATOM 0 H ASP A2105 10.830 -3.491 -0.760 1.00 1.04 H new ATOM 0 HA ASP A2105 11.172 -4.671 -3.281 1.00 0.98 H new ATOM 0 HB2 ASP A2105 10.315 -5.891 -1.350 1.00 1.06 H new ATOM 0 HB3 ASP A2105 8.930 -4.823 -1.228 1.00 1.06 H new ATOM 779 N PRO A2106 9.656 -3.598 -4.933 1.00 0.77 N ATOM 780 CA PRO A2106 8.828 -2.938 -5.939 1.00 0.73 C ATOM 781 C PRO A2106 7.384 -3.413 -5.891 1.00 0.61 C ATOM 782 O PRO A2106 7.024 -4.444 -6.466 1.00 0.74 O ATOM 783 CB PRO A2106 9.483 -3.318 -7.273 1.00 0.87 C ATOM 784 CG PRO A2106 10.290 -4.534 -6.979 1.00 1.03 C ATOM 785 CD PRO A2106 10.716 -4.420 -5.542 1.00 0.93 C ATOM 0 HA PRO A2106 8.781 -1.861 -5.780 1.00 0.73 H new ATOM 0 HB2 PRO A2106 8.732 -3.519 -8.037 1.00 0.87 H new ATOM 0 HB3 PRO A2106 10.111 -2.510 -7.648 1.00 0.87 H new ATOM 0 HG2 PRO A2106 9.703 -5.438 -7.140 1.00 1.03 H new ATOM 0 HG3 PRO A2106 11.156 -4.594 -7.638 1.00 1.03 H new ATOM 0 HD2 PRO A2106 10.789 -5.398 -5.066 1.00 0.93 H new ATOM 0 HD3 PRO A2106 11.694 -3.947 -5.450 1.00 0.93 H new ATOM 793 N VAL A2107 6.564 -2.657 -5.191 1.00 0.48 N ATOM 794 CA VAL A2107 5.158 -2.964 -5.068 1.00 0.37 C ATOM 795 C VAL A2107 4.335 -1.732 -5.426 1.00 0.35 C ATOM 796 O VAL A2107 4.843 -0.610 -5.442 1.00 0.60 O ATOM 797 CB VAL A2107 4.803 -3.431 -3.634 1.00 0.41 C ATOM 798 CG1 VAL A2107 4.742 -2.253 -2.689 1.00 0.54 C ATOM 799 CG2 VAL A2107 3.492 -4.198 -3.609 1.00 0.46 C ATOM 0 H VAL A2107 6.854 -1.815 -4.693 1.00 0.48 H new ATOM 0 HA VAL A2107 4.927 -3.779 -5.754 1.00 0.37 H new ATOM 0 HB VAL A2107 5.592 -4.105 -3.302 1.00 0.41 H new ATOM 0 HG11 VAL A2107 4.491 -2.603 -1.687 1.00 0.54 H new ATOM 0 HG12 VAL A2107 5.711 -1.754 -2.667 1.00 0.54 H new ATOM 0 HG13 VAL A2107 3.980 -1.552 -3.030 1.00 0.54 H new ATOM 0 HG21 VAL A2107 3.273 -4.511 -2.588 1.00 0.46 H new ATOM 0 HG22 VAL A2107 2.689 -3.557 -3.972 1.00 0.46 H new ATOM 0 HG23 VAL A2107 3.572 -5.077 -4.249 1.00 0.46 H new ATOM 809 N THR A2108 3.082 -1.946 -5.738 1.00 0.32 N ATOM 810 CA THR A2108 2.163 -0.862 -5.979 1.00 0.30 C ATOM 811 C THR A2108 0.815 -1.205 -5.382 1.00 0.30 C ATOM 812 O THR A2108 0.304 -2.311 -5.561 1.00 0.33 O ATOM 813 CB THR A2108 2.019 -0.553 -7.483 1.00 0.33 C ATOM 814 OG1 THR A2108 3.299 -0.188 -8.019 1.00 0.37 O ATOM 815 CG2 THR A2108 1.017 0.576 -7.723 1.00 0.35 C ATOM 0 H THR A2108 2.670 -2.875 -5.832 1.00 0.32 H new ATOM 0 HA THR A2108 2.562 0.034 -5.503 1.00 0.30 H new ATOM 0 HB THR A2108 1.647 -1.447 -7.984 1.00 0.33 H new ATOM 0 HG1 THR A2108 3.210 0.007 -8.975 1.00 0.37 H new ATOM 0 HG21 THR A2108 0.937 0.771 -8.793 1.00 0.35 H new ATOM 0 HG22 THR A2108 0.041 0.285 -7.333 1.00 0.35 H new ATOM 0 HG23 THR A2108 1.357 1.478 -7.214 1.00 0.35 H new ATOM 823 N VAL A2109 0.265 -0.278 -4.635 1.00 0.38 N ATOM 824 CA VAL A2109 -1.037 -0.472 -4.048 1.00 0.46 C ATOM 825 C VAL A2109 -2.087 0.085 -4.993 1.00 0.52 C ATOM 826 O VAL A2109 -1.884 1.141 -5.574 1.00 0.61 O ATOM 827 CB VAL A2109 -1.145 0.229 -2.685 1.00 0.60 C ATOM 828 CG1 VAL A2109 -2.371 -0.270 -1.951 1.00 0.76 C ATOM 829 CG2 VAL A2109 0.126 0.017 -1.860 1.00 0.61 C ATOM 0 H VAL A2109 0.700 0.619 -4.420 1.00 0.38 H new ATOM 0 HA VAL A2109 -1.195 -1.539 -3.889 1.00 0.46 H new ATOM 0 HB VAL A2109 -1.251 1.302 -2.844 1.00 0.60 H new ATOM 0 HG11 VAL A2109 -2.445 0.229 -0.985 1.00 0.76 H new ATOM 0 HG12 VAL A2109 -3.262 -0.053 -2.541 1.00 0.76 H new ATOM 0 HG13 VAL A2109 -2.291 -1.346 -1.798 1.00 0.76 H new ATOM 0 HG21 VAL A2109 0.025 0.523 -0.900 1.00 0.61 H new ATOM 0 HG22 VAL A2109 0.278 -1.049 -1.694 1.00 0.61 H new ATOM 0 HG23 VAL A2109 0.981 0.427 -2.398 1.00 0.61 H new ATOM 839 N LYS A2110 -3.186 -0.628 -5.173 1.00 0.53 N ATOM 840 CA LYS A2110 -4.223 -0.180 -6.088 1.00 0.63 C ATOM 841 C LYS A2110 -5.593 -0.562 -5.548 1.00 0.70 C ATOM 842 O LYS A2110 -5.968 -1.733 -5.549 1.00 0.99 O ATOM 843 CB LYS A2110 -4.002 -0.808 -7.475 1.00 0.67 C ATOM 844 CG LYS A2110 -4.582 -0.008 -8.644 1.00 0.85 C ATOM 845 CD LYS A2110 -6.103 0.111 -8.594 1.00 1.03 C ATOM 846 CE LYS A2110 -6.791 -1.247 -8.628 1.00 1.11 C ATOM 847 NZ LYS A2110 -6.464 -2.014 -9.859 1.00 1.63 N ATOM 0 H LYS A2110 -3.383 -1.511 -4.703 1.00 0.53 H new ATOM 0 HA LYS A2110 -4.174 0.905 -6.181 1.00 0.63 H new ATOM 0 HB2 LYS A2110 -2.931 -0.933 -7.635 1.00 0.67 H new ATOM 0 HB3 LYS A2110 -4.443 -1.805 -7.481 1.00 0.67 H new ATOM 0 HG2 LYS A2110 -4.146 0.991 -8.645 1.00 0.85 H new ATOM 0 HG3 LYS A2110 -4.292 -0.483 -9.581 1.00 0.85 H new ATOM 0 HD2 LYS A2110 -6.394 0.640 -7.687 1.00 1.03 H new ATOM 0 HD3 LYS A2110 -6.446 0.711 -9.437 1.00 1.03 H new ATOM 0 HE2 LYS A2110 -6.494 -1.825 -7.753 1.00 1.11 H new ATOM 0 HE3 LYS A2110 -7.870 -1.107 -8.566 1.00 1.11 H new ATOM 0 HZ1 LYS A2110 -7.056 -2.868 -9.904 1.00 1.63 H new ATOM 0 HZ2 LYS A2110 -6.645 -1.422 -10.695 1.00 1.63 H new ATOM 0 HZ3 LYS A2110 -5.461 -2.289 -9.840 1.00 1.63 H new ATOM 861 N ARG A2111 -6.336 0.430 -5.090 1.00 0.52 N ATOM 862 CA ARG A2111 -7.697 0.215 -4.626 1.00 0.54 C ATOM 863 C ARG A2111 -8.455 1.524 -4.641 1.00 0.44 C ATOM 864 O ARG A2111 -7.848 2.591 -4.594 1.00 0.47 O ATOM 865 CB ARG A2111 -7.698 -0.394 -3.224 1.00 0.62 C ATOM 866 CG ARG A2111 -6.901 0.388 -2.198 1.00 0.62 C ATOM 867 CD ARG A2111 -6.714 -0.413 -0.922 1.00 0.87 C ATOM 868 NE ARG A2111 -5.920 -1.621 -1.154 1.00 1.86 N ATOM 869 CZ ARG A2111 -5.563 -2.479 -0.202 1.00 2.47 C ATOM 870 NH1 ARG A2111 -5.937 -2.284 1.055 1.00 2.41 N ATOM 871 NH2 ARG A2111 -4.828 -3.534 -0.511 1.00 3.47 N ATOM 0 H ARG A2111 -6.018 1.397 -5.029 1.00 0.52 H new ATOM 0 HA ARG A2111 -8.193 -0.487 -5.297 1.00 0.54 H new ATOM 0 HB2 ARG A2111 -8.728 -0.477 -2.878 1.00 0.62 H new ATOM 0 HB3 ARG A2111 -7.298 -1.406 -3.281 1.00 0.62 H new ATOM 0 HG2 ARG A2111 -5.927 0.650 -2.612 1.00 0.62 H new ATOM 0 HG3 ARG A2111 -7.413 1.323 -1.972 1.00 0.62 H new ATOM 0 HD2 ARG A2111 -6.223 0.207 -0.172 1.00 0.87 H new ATOM 0 HD3 ARG A2111 -7.688 -0.689 -0.519 1.00 0.87 H new ATOM 0 HE ARG A2111 -5.621 -1.818 -2.109 1.00 1.86 H new ATOM 0 HH11 ARG A2111 -6.503 -1.471 1.298 1.00 2.41 H new ATOM 0 HH12 ARG A2111 -5.659 -2.947 1.779 1.00 2.41 H new ATOM 0 HH21 ARG A2111 -4.537 -3.688 -1.476 1.00 3.47 H new ATOM 0 HH22 ARG A2111 -4.552 -4.194 0.216 1.00 3.47 H new ATOM 885 N VAL A2112 -9.771 1.454 -4.717 1.00 0.35 N ATOM 886 CA VAL A2112 -10.566 2.673 -4.824 1.00 0.28 C ATOM 887 C VAL A2112 -11.346 2.948 -3.543 1.00 0.25 C ATOM 888 O VAL A2112 -11.842 2.030 -2.889 1.00 0.29 O ATOM 889 CB VAL A2112 -11.526 2.633 -6.036 1.00 0.31 C ATOM 890 CG1 VAL A2112 -10.742 2.543 -7.336 1.00 0.40 C ATOM 891 CG2 VAL A2112 -12.507 1.478 -5.928 1.00 0.32 C ATOM 0 H VAL A2112 -10.308 0.587 -4.707 1.00 0.35 H new ATOM 0 HA VAL A2112 -9.861 3.490 -4.980 1.00 0.28 H new ATOM 0 HB VAL A2112 -12.099 3.560 -6.036 1.00 0.31 H new ATOM 0 HG11 VAL A2112 -11.434 2.516 -8.177 1.00 0.40 H new ATOM 0 HG12 VAL A2112 -10.091 3.412 -7.429 1.00 0.40 H new ATOM 0 HG13 VAL A2112 -10.137 1.636 -7.334 1.00 0.40 H new ATOM 0 HG21 VAL A2112 -13.167 1.479 -6.795 1.00 0.32 H new ATOM 0 HG22 VAL A2112 -11.958 0.537 -5.890 1.00 0.32 H new ATOM 0 HG23 VAL A2112 -13.101 1.588 -5.020 1.00 0.32 H new ATOM 901 N ASP A2113 -11.411 4.220 -3.173 1.00 0.26 N ATOM 902 CA ASP A2113 -12.149 4.640 -1.988 1.00 0.31 C ATOM 903 C ASP A2113 -13.598 4.969 -2.331 1.00 0.33 C ATOM 904 O ASP A2113 -14.059 4.674 -3.436 1.00 0.34 O ATOM 905 CB ASP A2113 -11.477 5.845 -1.315 1.00 0.40 C ATOM 906 CG ASP A2113 -11.348 7.048 -2.228 1.00 0.55 C ATOM 907 OD1 ASP A2113 -12.377 7.682 -2.545 1.00 0.85 O ATOM 908 OD2 ASP A2113 -10.214 7.374 -2.622 1.00 1.46 O ATOM 0 H ASP A2113 -10.960 4.982 -3.679 1.00 0.26 H new ATOM 0 HA ASP A2113 -12.142 3.806 -1.286 1.00 0.31 H new ATOM 0 HB2 ASP A2113 -12.052 6.127 -0.433 1.00 0.40 H new ATOM 0 HB3 ASP A2113 -10.486 5.553 -0.969 1.00 0.40 H new ATOM 913 N LYS A2114 -14.313 5.575 -1.389 1.00 0.40 N ATOM 914 CA LYS A2114 -15.731 5.881 -1.570 1.00 0.46 C ATOM 915 C LYS A2114 -15.976 6.794 -2.773 1.00 0.52 C ATOM 916 O LYS A2114 -17.026 6.718 -3.412 1.00 0.65 O ATOM 917 CB LYS A2114 -16.303 6.518 -0.303 1.00 0.55 C ATOM 918 CG LYS A2114 -16.297 5.582 0.894 1.00 0.58 C ATOM 919 CD LYS A2114 -16.949 6.220 2.109 1.00 0.69 C ATOM 920 CE LYS A2114 -16.949 5.272 3.299 1.00 0.83 C ATOM 921 NZ LYS A2114 -17.642 5.850 4.480 1.00 1.72 N ATOM 0 H LYS A2114 -13.933 5.866 -0.488 1.00 0.40 H new ATOM 0 HA LYS A2114 -16.242 4.938 -1.765 1.00 0.46 H new ATOM 0 HB2 LYS A2114 -15.726 7.410 -0.061 1.00 0.55 H new ATOM 0 HB3 LYS A2114 -17.325 6.842 -0.497 1.00 0.55 H new ATOM 0 HG2 LYS A2114 -16.823 4.662 0.639 1.00 0.58 H new ATOM 0 HG3 LYS A2114 -15.270 5.306 1.135 1.00 0.58 H new ATOM 0 HD2 LYS A2114 -16.418 7.135 2.371 1.00 0.69 H new ATOM 0 HD3 LYS A2114 -17.973 6.504 1.868 1.00 0.69 H new ATOM 0 HE2 LYS A2114 -17.435 4.338 3.017 1.00 0.83 H new ATOM 0 HE3 LYS A2114 -15.921 5.029 3.567 1.00 0.83 H new ATOM 0 HZ1 LYS A2114 -17.617 5.169 5.265 1.00 1.72 H new ATOM 0 HZ2 LYS A2114 -17.164 6.728 4.768 1.00 1.72 H new ATOM 0 HZ3 LYS A2114 -18.631 6.059 4.235 1.00 1.72 H new ATOM 935 N ASN A2115 -15.011 7.643 -3.096 1.00 0.52 N ATOM 936 CA ASN A2115 -15.155 8.555 -4.227 1.00 0.60 C ATOM 937 C ASN A2115 -14.727 7.880 -5.521 1.00 0.54 C ATOM 938 O ASN A2115 -14.966 8.394 -6.613 1.00 0.70 O ATOM 939 CB ASN A2115 -14.335 9.826 -4.011 1.00 0.72 C ATOM 940 CG ASN A2115 -14.853 10.669 -2.863 1.00 0.99 C ATOM 941 OD1 ASN A2115 -16.049 10.679 -2.574 1.00 1.84 O ATOM 942 ND2 ASN A2115 -13.956 11.380 -2.199 1.00 1.11 N ATOM 0 H ASN A2115 -14.125 7.721 -2.597 1.00 0.52 H new ATOM 0 HA ASN A2115 -16.208 8.827 -4.302 1.00 0.60 H new ATOM 0 HB2 ASN A2115 -13.297 9.555 -3.818 1.00 0.72 H new ATOM 0 HB3 ASN A2115 -14.345 10.419 -4.925 1.00 0.72 H new ATOM 0 HD21 ASN A2115 -14.247 11.964 -1.415 1.00 1.11 H new ATOM 0 HD22 ASN A2115 -12.974 11.344 -2.471 1.00 1.11 H new ATOM 949 N GLY A2116 -14.097 6.721 -5.392 1.00 0.38 N ATOM 950 CA GLY A2116 -13.633 5.993 -6.555 1.00 0.39 C ATOM 951 C GLY A2116 -12.214 6.362 -6.927 1.00 0.38 C ATOM 952 O GLY A2116 -11.739 6.032 -8.015 1.00 0.44 O ATOM 0 H GLY A2116 -13.898 6.271 -4.499 1.00 0.38 H new ATOM 0 HA2 GLY A2116 -13.689 4.922 -6.358 1.00 0.39 H new ATOM 0 HA3 GLY A2116 -14.293 6.198 -7.398 1.00 0.39 H new ATOM 956 N THR A2117 -11.536 7.052 -6.022 1.00 0.36 N ATOM 957 CA THR A2117 -10.154 7.436 -6.237 1.00 0.38 C ATOM 958 C THR A2117 -9.222 6.256 -5.970 1.00 0.33 C ATOM 959 O THR A2117 -9.322 5.601 -4.931 1.00 0.33 O ATOM 960 CB THR A2117 -9.769 8.624 -5.335 1.00 0.44 C ATOM 961 OG1 THR A2117 -10.560 9.769 -5.682 1.00 0.57 O ATOM 962 CG2 THR A2117 -8.290 8.967 -5.457 1.00 0.54 C ATOM 0 H THR A2117 -11.924 7.357 -5.130 1.00 0.36 H new ATOM 0 HA THR A2117 -10.048 7.741 -7.278 1.00 0.38 H new ATOM 0 HB THR A2117 -9.962 8.337 -4.301 1.00 0.44 H new ATOM 0 HG1 THR A2117 -10.315 10.523 -5.106 1.00 0.57 H new ATOM 0 HG21 THR A2117 -8.057 9.810 -4.806 1.00 0.54 H new ATOM 0 HG22 THR A2117 -7.691 8.105 -5.163 1.00 0.54 H new ATOM 0 HG23 THR A2117 -8.062 9.232 -6.489 1.00 0.54 H new ATOM 970 N PRO A2118 -8.329 5.941 -6.921 1.00 0.38 N ATOM 971 CA PRO A2118 -7.350 4.877 -6.748 1.00 0.40 C ATOM 972 C PRO A2118 -6.212 5.299 -5.827 1.00 0.35 C ATOM 973 O PRO A2118 -5.277 5.983 -6.246 1.00 0.39 O ATOM 974 CB PRO A2118 -6.820 4.618 -8.168 1.00 0.53 C ATOM 975 CG PRO A2118 -7.647 5.468 -9.079 1.00 0.61 C ATOM 976 CD PRO A2118 -8.205 6.575 -8.236 1.00 0.51 C ATOM 0 HA PRO A2118 -7.791 3.993 -6.287 1.00 0.40 H new ATOM 0 HB2 PRO A2118 -5.764 4.878 -8.244 1.00 0.53 H new ATOM 0 HB3 PRO A2118 -6.908 3.564 -8.431 1.00 0.53 H new ATOM 0 HG2 PRO A2118 -7.042 5.867 -9.893 1.00 0.61 H new ATOM 0 HG3 PRO A2118 -8.448 4.885 -9.533 1.00 0.61 H new ATOM 0 HD2 PRO A2118 -7.541 7.439 -8.209 1.00 0.51 H new ATOM 0 HD3 PRO A2118 -9.167 6.925 -8.610 1.00 0.51 H new ATOM 984 N VAL A2119 -6.302 4.890 -4.573 1.00 0.33 N ATOM 985 CA VAL A2119 -5.240 5.130 -3.611 1.00 0.33 C ATOM 986 C VAL A2119 -4.084 4.175 -3.882 1.00 0.36 C ATOM 987 O VAL A2119 -4.194 2.958 -3.697 1.00 0.39 O ATOM 988 CB VAL A2119 -5.752 5.002 -2.156 1.00 0.39 C ATOM 989 CG1 VAL A2119 -6.701 6.147 -1.832 1.00 0.52 C ATOM 990 CG2 VAL A2119 -6.444 3.671 -1.923 1.00 0.60 C ATOM 0 H VAL A2119 -7.105 4.387 -4.196 1.00 0.33 H new ATOM 0 HA VAL A2119 -4.885 6.154 -3.728 1.00 0.33 H new ATOM 0 HB VAL A2119 -4.888 5.050 -1.494 1.00 0.39 H new ATOM 0 HG11 VAL A2119 -7.055 6.047 -0.806 1.00 0.52 H new ATOM 0 HG12 VAL A2119 -6.177 7.096 -1.944 1.00 0.52 H new ATOM 0 HG13 VAL A2119 -7.551 6.119 -2.514 1.00 0.52 H new ATOM 0 HG21 VAL A2119 -6.790 3.617 -0.891 1.00 0.60 H new ATOM 0 HG22 VAL A2119 -7.296 3.581 -2.597 1.00 0.60 H new ATOM 0 HG23 VAL A2119 -5.743 2.858 -2.114 1.00 0.60 H new ATOM 1000 N THR A2120 -2.991 4.735 -4.377 1.00 0.39 N ATOM 1001 CA THR A2120 -1.844 3.944 -4.773 1.00 0.44 C ATOM 1002 C THR A2120 -0.609 4.347 -3.984 1.00 0.53 C ATOM 1003 O THR A2120 -0.596 5.377 -3.304 1.00 0.67 O ATOM 1004 CB THR A2120 -1.545 4.099 -6.285 1.00 0.52 C ATOM 1005 OG1 THR A2120 -1.262 5.474 -6.589 1.00 0.61 O ATOM 1006 CG2 THR A2120 -2.719 3.627 -7.132 1.00 0.55 C ATOM 0 H THR A2120 -2.877 5.739 -4.513 1.00 0.39 H new ATOM 0 HA THR A2120 -2.088 2.903 -4.563 1.00 0.44 H new ATOM 0 HB THR A2120 -0.679 3.481 -6.520 1.00 0.52 H new ATOM 0 HG1 THR A2120 -1.072 5.565 -7.546 1.00 0.61 H new ATOM 0 HG21 THR A2120 -2.478 3.749 -8.188 1.00 0.55 H new ATOM 0 HG22 THR A2120 -2.918 2.576 -6.924 1.00 0.55 H new ATOM 0 HG23 THR A2120 -3.602 4.218 -6.891 1.00 0.55 H new ATOM 1014 N ALA A2121 0.417 3.524 -4.075 1.00 0.53 N ATOM 1015 CA ALA A2121 1.709 3.841 -3.503 1.00 0.65 C ATOM 1016 C ALA A2121 2.795 3.377 -4.456 1.00 0.73 C ATOM 1017 O ALA A2121 2.786 2.226 -4.898 1.00 0.69 O ATOM 1018 CB ALA A2121 1.875 3.189 -2.138 1.00 0.70 C ATOM 0 H ALA A2121 0.378 2.620 -4.546 1.00 0.53 H new ATOM 0 HA ALA A2121 1.785 4.919 -3.360 1.00 0.65 H new ATOM 0 HB1 ALA A2121 2.853 3.443 -1.730 1.00 0.70 H new ATOM 0 HB2 ALA A2121 1.097 3.550 -1.465 1.00 0.70 H new ATOM 0 HB3 ALA A2121 1.794 2.107 -2.239 1.00 0.70 H new ATOM 1024 N THR A2122 3.714 4.267 -4.779 1.00 0.98 N ATOM 1025 CA THR A2122 4.770 3.956 -5.721 1.00 1.15 C ATOM 1026 C THR A2122 5.998 3.432 -4.996 1.00 0.99 C ATOM 1027 O THR A2122 6.794 4.198 -4.453 1.00 1.22 O ATOM 1028 CB THR A2122 5.138 5.194 -6.560 1.00 1.63 C ATOM 1029 OG1 THR A2122 5.240 6.348 -5.710 1.00 2.19 O ATOM 1030 CG2 THR A2122 4.099 5.444 -7.643 1.00 2.08 C ATOM 0 H THR A2122 3.750 5.214 -4.401 1.00 0.98 H new ATOM 0 HA THR A2122 4.403 3.180 -6.392 1.00 1.15 H new ATOM 0 HB THR A2122 6.099 5.009 -7.040 1.00 1.63 H new ATOM 0 HG1 THR A2122 5.768 6.123 -4.915 1.00 2.19 H new ATOM 0 HG21 THR A2122 4.381 6.323 -8.222 1.00 2.08 H new ATOM 0 HG22 THR A2122 4.045 4.578 -8.302 1.00 2.08 H new ATOM 0 HG23 THR A2122 3.125 5.610 -7.182 1.00 2.08 H new ATOM 1038 N TYR A2123 6.139 2.119 -4.980 1.00 0.85 N ATOM 1039 CA TYR A2123 7.245 1.486 -4.296 1.00 0.77 C ATOM 1040 C TYR A2123 8.150 0.761 -5.280 1.00 0.94 C ATOM 1041 O TYR A2123 7.703 -0.088 -6.047 1.00 1.20 O ATOM 1042 CB TYR A2123 6.725 0.529 -3.225 1.00 0.83 C ATOM 1043 CG TYR A2123 6.898 1.063 -1.828 1.00 1.21 C ATOM 1044 CD1 TYR A2123 5.828 1.604 -1.130 1.00 1.93 C ATOM 1045 CD2 TYR A2123 8.139 1.032 -1.209 1.00 1.82 C ATOM 1046 CE1 TYR A2123 5.989 2.101 0.148 1.00 2.36 C ATOM 1047 CE2 TYR A2123 8.312 1.524 0.068 1.00 2.26 C ATOM 1048 CZ TYR A2123 7.237 2.057 0.744 1.00 2.25 C ATOM 1049 OH TYR A2123 7.414 2.545 2.017 1.00 2.81 O ATOM 0 H TYR A2123 5.497 1.470 -5.436 1.00 0.85 H new ATOM 0 HA TYR A2123 7.838 2.260 -3.809 1.00 0.77 H new ATOM 0 HB2 TYR A2123 5.668 0.331 -3.404 1.00 0.83 H new ATOM 0 HB3 TYR A2123 7.247 -0.424 -3.312 1.00 0.83 H new ATOM 0 HD1 TYR A2123 4.853 1.637 -1.594 1.00 1.93 H new ATOM 0 HD2 TYR A2123 8.985 0.615 -1.736 1.00 1.82 H new ATOM 0 HE1 TYR A2123 5.147 2.521 0.679 1.00 2.36 H new ATOM 0 HE2 TYR A2123 9.285 1.491 0.535 1.00 2.26 H new ATOM 0 HH TYR A2123 8.351 2.435 2.282 1.00 2.81 H new ATOM 1059 N SER A2124 9.418 1.129 -5.264 1.00 1.07 N ATOM 1060 CA SER A2124 10.426 0.522 -6.121 1.00 1.29 C ATOM 1061 C SER A2124 11.800 0.734 -5.499 1.00 1.24 C ATOM 1062 O SER A2124 11.929 1.561 -4.597 1.00 1.31 O ATOM 1063 CB SER A2124 10.370 1.137 -7.525 1.00 1.66 C ATOM 1064 OG SER A2124 9.161 0.799 -8.186 1.00 2.06 O ATOM 0 H SER A2124 9.782 1.861 -4.654 1.00 1.07 H new ATOM 0 HA SER A2124 10.233 -0.547 -6.212 1.00 1.29 H new ATOM 0 HB2 SER A2124 10.458 2.221 -7.454 1.00 1.66 H new ATOM 0 HB3 SER A2124 11.219 0.787 -8.112 1.00 1.66 H new ATOM 0 HG SER A2124 8.571 0.322 -7.565 1.00 2.06 H new ATOM 1070 N PRO A2125 12.830 -0.015 -5.935 1.00 1.46 N ATOM 1071 CA PRO A2125 14.197 0.147 -5.428 1.00 1.71 C ATOM 1072 C PRO A2125 14.617 1.615 -5.334 1.00 1.73 C ATOM 1073 O PRO A2125 15.098 2.069 -4.290 1.00 2.16 O ATOM 1074 CB PRO A2125 15.034 -0.592 -6.466 1.00 2.09 C ATOM 1075 CG PRO A2125 14.138 -1.673 -6.960 1.00 2.09 C ATOM 1076 CD PRO A2125 12.745 -1.102 -6.935 1.00 1.75 C ATOM 0 HA PRO A2125 14.311 -0.236 -4.414 1.00 1.71 H new ATOM 0 HB2 PRO A2125 15.341 0.071 -7.275 1.00 2.09 H new ATOM 0 HB3 PRO A2125 15.944 -1.000 -6.026 1.00 2.09 H new ATOM 0 HG2 PRO A2125 14.416 -1.980 -7.968 1.00 2.09 H new ATOM 0 HG3 PRO A2125 14.208 -2.558 -6.327 1.00 2.09 H new ATOM 0 HD2 PRO A2125 12.450 -0.724 -7.914 1.00 1.75 H new ATOM 0 HD3 PRO A2125 12.009 -1.853 -6.648 1.00 1.75 H new ATOM 1084 N GLU A2126 14.400 2.361 -6.413 1.00 1.86 N ATOM 1085 CA GLU A2126 14.753 3.774 -6.452 1.00 2.08 C ATOM 1086 C GLU A2126 13.664 4.623 -5.788 1.00 1.98 C ATOM 1087 O GLU A2126 13.051 5.488 -6.413 1.00 2.37 O ATOM 1088 CB GLU A2126 14.986 4.226 -7.894 1.00 2.47 C ATOM 1089 CG GLU A2126 15.667 5.579 -8.014 1.00 3.11 C ATOM 1090 CD GLU A2126 15.886 5.986 -9.453 1.00 3.80 C ATOM 1091 OE1 GLU A2126 16.802 5.432 -10.096 1.00 4.26 O ATOM 1092 OE2 GLU A2126 15.139 6.854 -9.949 1.00 4.33 O ATOM 0 H GLU A2126 13.980 2.008 -7.273 1.00 1.86 H new ATOM 0 HA GLU A2126 15.679 3.913 -5.894 1.00 2.08 H new ATOM 0 HB2 GLU A2126 15.593 3.478 -8.405 1.00 2.47 H new ATOM 0 HB3 GLU A2126 14.027 4.266 -8.411 1.00 2.47 H new ATOM 0 HG2 GLU A2126 15.061 6.334 -7.514 1.00 3.11 H new ATOM 0 HG3 GLU A2126 16.626 5.547 -7.498 1.00 3.11 H new ATOM 1099 N PHE A2127 13.415 4.337 -4.523 1.00 2.04 N ATOM 1100 CA PHE A2127 12.492 5.114 -3.714 1.00 2.23 C ATOM 1101 C PHE A2127 13.194 5.554 -2.436 1.00 2.57 C ATOM 1102 O PHE A2127 13.738 4.716 -1.711 1.00 3.09 O ATOM 1103 CB PHE A2127 11.248 4.274 -3.390 1.00 2.24 C ATOM 1104 CG PHE A2127 10.223 4.971 -2.539 1.00 2.48 C ATOM 1105 CD1 PHE A2127 9.391 5.937 -3.083 1.00 2.99 C ATOM 1106 CD2 PHE A2127 10.082 4.647 -1.200 1.00 2.99 C ATOM 1107 CE1 PHE A2127 8.439 6.567 -2.305 1.00 3.64 C ATOM 1108 CE2 PHE A2127 9.133 5.276 -0.416 1.00 3.62 C ATOM 1109 CZ PHE A2127 8.311 6.237 -0.970 1.00 3.83 C ATOM 0 H PHE A2127 13.848 3.558 -4.026 1.00 2.04 H new ATOM 0 HA PHE A2127 12.173 5.999 -4.264 1.00 2.23 H new ATOM 0 HB2 PHE A2127 10.778 3.970 -4.325 1.00 2.24 H new ATOM 0 HB3 PHE A2127 11.564 3.363 -2.881 1.00 2.24 H new ATOM 0 HD1 PHE A2127 9.488 6.200 -4.126 1.00 2.99 H new ATOM 0 HD2 PHE A2127 10.721 3.894 -0.763 1.00 2.99 H new ATOM 0 HE1 PHE A2127 7.795 7.317 -2.740 1.00 3.64 H new ATOM 0 HE2 PHE A2127 9.035 5.016 0.628 1.00 3.62 H new ATOM 0 HZ PHE A2127 7.569 6.730 -0.360 1.00 3.83 H new ATOM 1119 N THR A2128 13.200 6.865 -2.183 1.00 2.82 N ATOM 1120 CA THR A2128 13.851 7.459 -1.007 1.00 3.38 C ATOM 1121 C THR A2128 15.300 6.964 -0.847 1.00 2.89 C ATOM 1122 O THR A2128 15.969 6.661 -1.842 1.00 3.03 O ATOM 1123 CB THR A2128 13.033 7.194 0.285 1.00 4.34 C ATOM 1124 OG1 THR A2128 12.890 5.786 0.527 1.00 4.91 O ATOM 1125 CG2 THR A2128 11.656 7.833 0.189 1.00 5.11 C ATOM 0 H THR A2128 12.751 7.551 -2.790 1.00 2.82 H new ATOM 0 HA THR A2128 13.886 8.536 -1.171 1.00 3.38 H new ATOM 0 HB THR A2128 13.579 7.640 1.116 1.00 4.34 H new ATOM 0 HG1 THR A2128 13.517 5.291 -0.041 1.00 4.91 H new ATOM 0 HG21 THR A2128 11.099 7.636 1.105 1.00 5.11 H new ATOM 0 HG22 THR A2128 11.763 8.909 0.054 1.00 5.11 H new ATOM 0 HG23 THR A2128 11.118 7.413 -0.661 1.00 5.11 H new ATOM 1133 N LYS A2129 15.774 6.897 0.407 1.00 2.90 N ATOM 1134 CA LYS A2129 17.124 6.417 0.744 1.00 2.79 C ATOM 1135 C LYS A2129 18.187 7.443 0.383 1.00 3.43 C ATOM 1136 O LYS A2129 17.885 8.575 -0.005 1.00 3.99 O ATOM 1137 CB LYS A2129 17.463 5.100 0.040 1.00 3.05 C ATOM 1138 CG LYS A2129 16.365 4.058 0.099 1.00 3.76 C ATOM 1139 CD LYS A2129 16.748 2.802 -0.668 1.00 4.33 C ATOM 1140 CE LYS A2129 17.333 3.133 -2.038 1.00 4.72 C ATOM 1141 NZ LYS A2129 16.442 4.008 -2.844 1.00 5.22 N ATOM 0 H LYS A2129 15.227 7.176 1.222 1.00 2.90 H new ATOM 0 HA LYS A2129 17.120 6.253 1.822 1.00 2.79 H new ATOM 0 HB2 LYS A2129 17.693 5.309 -1.005 1.00 3.05 H new ATOM 0 HB3 LYS A2129 18.366 4.685 0.488 1.00 3.05 H new ATOM 0 HG2 LYS A2129 16.160 3.803 1.139 1.00 3.76 H new ATOM 0 HG3 LYS A2129 15.446 4.472 -0.315 1.00 3.76 H new ATOM 0 HD2 LYS A2129 17.475 2.230 -0.091 1.00 4.33 H new ATOM 0 HD3 LYS A2129 15.869 2.169 -0.791 1.00 4.33 H new ATOM 0 HE2 LYS A2129 18.297 3.624 -1.908 1.00 4.72 H new ATOM 0 HE3 LYS A2129 17.517 2.207 -2.583 1.00 4.72 H new ATOM 0 HZ1 LYS A2129 16.946 4.326 -3.696 1.00 5.22 H new ATOM 0 HZ2 LYS A2129 15.593 3.476 -3.123 1.00 5.22 H new ATOM 0 HZ3 LYS A2129 16.163 4.835 -2.278 1.00 5.22 H new ATOM 1155 N VAL A2130 19.434 7.031 0.519 1.00 3.76 N ATOM 1156 CA VAL A2130 20.555 7.864 0.162 1.00 4.65 C ATOM 1157 C VAL A2130 21.232 7.328 -1.096 1.00 5.15 C ATOM 1158 O VAL A2130 21.175 8.013 -2.137 1.00 5.63 O ATOM 1159 CB VAL A2130 21.572 7.979 1.322 1.00 5.31 C ATOM 1160 CG1 VAL A2130 21.029 8.887 2.414 1.00 5.79 C ATOM 1161 CG2 VAL A2130 21.907 6.609 1.901 1.00 5.88 C ATOM 1162 OXT VAL A2130 21.764 6.200 -1.058 1.00 5.44 O ATOM 0 H VAL A2130 19.692 6.112 0.879 1.00 3.76 H new ATOM 0 HA VAL A2130 20.176 8.866 -0.041 1.00 4.65 H new ATOM 0 HB VAL A2130 22.488 8.412 0.921 1.00 5.31 H new ATOM 0 HG11 VAL A2130 21.756 8.958 3.223 1.00 5.79 H new ATOM 0 HG12 VAL A2130 20.845 9.880 2.004 1.00 5.79 H new ATOM 0 HG13 VAL A2130 20.096 8.475 2.799 1.00 5.79 H new ATOM 0 HG21 VAL A2130 22.624 6.723 2.714 1.00 5.88 H new ATOM 0 HG22 VAL A2130 20.998 6.143 2.281 1.00 5.88 H new ATOM 0 HG23 VAL A2130 22.339 5.980 1.122 1.00 5.88 H new TER 1172 VAL A2130