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: A2081 GLN : amide:sc= -3.15! C(o=-1.1!,f=-5.4!) USER MOD Set 1.2: A2084 TYR OH : rot -29:sc= 2.08 USER MOD Set 2.1: A2077 THR OG1 : rot 180:sc= 0.48 USER MOD Set 2.2: A2083 THR OG1 : rot -117:sc= -0.165 USER MOD Set 3.1: A2068 THR OG1 : rot -138:sc= 0.0489 USER MOD Set 3.2: A2110 LYS NZ :NH3+ 151:sc= -0.506 (180deg=-2.14!) USER MOD Single : A2053 GLN : amide:sc= -0.762 K(o=-0.76,f=-1.9) USER MOD Single : A2064 THR OG1 : rot 13:sc= 1.2 USER MOD Single : A2073 SER OG : rot 180:sc= 0 USER MOD Single : A2074 LYS NZ :NH3+ 163:sc= -0.0329 (180deg=-0.288) USER MOD Single : A2076 LYS NZ :NH3+ -151:sc= 1.14 (180deg=0.722) USER MOD Single : A2085 THR OG1 : rot 180:sc= -0.0803 USER MOD Single : A2091 THR OG1 : rot 180:sc= 0 USER MOD Single : A2093 THR OG1 : rot 180:sc= 0 USER MOD Single : A2095 THR OG1 : rot 180:sc= -0.863 USER MOD Single : A2098 LYS NZ :NH3+ 157:sc= 1.27 (180deg=1.15) USER MOD Single : A2099 GLN : amide:sc= 0 X(o=0,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 : A2114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2115 ASN : amide:sc= -0.942! K(o=-0.94!,f=-0.39) USER MOD Single : A2117 THR OG1 : rot 78:sc= 0.0417 USER MOD Single : A2120 THR OG1 : rot 180:sc= 0 USER MOD Single : A2122 THR OG1 : rot 180:sc= 0 USER MOD Single : A2123 TYR OH : rot -98:sc= 0.943 USER MOD Single : A2124 SER OG : rot 180:sc= 0 USER MOD Single : A2128 THR OG1 : rot 108:sc= 1.05 USER MOD Single : A2129 LYS NZ :NH3+ -170:sc=-0.00467 (180deg=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A2053 -1.284 9.710 0.019 1.00 4.90 N ATOM 2 CA GLN A2053 -0.921 9.571 1.450 1.00 4.58 C ATOM 3 C GLN A2053 -1.181 8.145 1.927 1.00 3.90 C ATOM 4 O GLN A2053 -1.295 7.892 3.130 1.00 4.20 O ATOM 5 CB GLN A2053 -1.725 10.552 2.320 1.00 5.04 C ATOM 6 CG GLN A2053 -1.413 12.024 2.072 1.00 5.47 C ATOM 7 CD GLN A2053 -1.931 12.531 0.740 1.00 6.21 C ATOM 8 OE1 GLN A2053 -2.951 12.063 0.238 1.00 6.51 O ATOM 9 NE2 GLN A2053 -1.230 13.483 0.155 1.00 6.85 N ATOM 0 HA GLN A2053 0.140 9.801 1.548 1.00 4.58 H new ATOM 0 HB2 GLN A2053 -2.788 10.385 2.145 1.00 5.04 H new ATOM 0 HB3 GLN A2053 -1.535 10.326 3.369 1.00 5.04 H new ATOM 0 HG2 GLN A2053 -1.848 12.621 2.874 1.00 5.47 H new ATOM 0 HG3 GLN A2053 -0.334 12.172 2.114 1.00 5.47 H new ATOM 0 HE21 GLN A2053 -0.389 13.846 0.603 1.00 6.85 H new ATOM 0 HE22 GLN A2053 -1.529 13.856 -0.746 1.00 6.85 H new ATOM 18 N GLY A2054 -1.268 7.213 0.982 1.00 3.41 N ATOM 19 CA GLY A2054 -1.609 5.845 1.319 1.00 3.09 C ATOM 20 C GLY A2054 -3.004 5.751 1.899 1.00 2.21 C ATOM 21 O GLY A2054 -3.248 4.992 2.837 1.00 2.29 O ATOM 0 H GLY A2054 -1.108 7.382 -0.011 1.00 3.41 H new ATOM 0 HA2 GLY A2054 -1.541 5.221 0.428 1.00 3.09 H new ATOM 0 HA3 GLY A2054 -0.888 5.455 2.037 1.00 3.09 H new ATOM 25 N GLY A2055 -3.915 6.530 1.339 1.00 1.77 N ATOM 26 CA GLY A2055 -5.260 6.607 1.865 1.00 1.45 C ATOM 27 C GLY A2055 -5.666 8.041 2.118 1.00 1.28 C ATOM 28 O GLY A2055 -4.981 8.765 2.840 1.00 1.66 O ATOM 0 H GLY A2055 -3.744 7.116 0.522 1.00 1.77 H new ATOM 0 HA2 GLY A2055 -5.955 6.148 1.162 1.00 1.45 H new ATOM 0 HA3 GLY A2055 -5.324 6.039 2.793 1.00 1.45 H new ATOM 32 N ASP A2056 -6.762 8.463 1.510 1.00 1.08 N ATOM 33 CA ASP A2056 -7.242 9.830 1.664 1.00 1.00 C ATOM 34 C ASP A2056 -8.164 9.941 2.866 1.00 1.03 C ATOM 35 O ASP A2056 -9.224 9.321 2.900 1.00 1.04 O ATOM 36 CB ASP A2056 -7.970 10.293 0.399 1.00 1.12 C ATOM 37 CG ASP A2056 -7.014 10.590 -0.743 1.00 1.80 C ATOM 38 OD1 ASP A2056 -6.564 9.644 -1.420 1.00 2.41 O ATOM 39 OD2 ASP A2056 -6.699 11.780 -0.965 1.00 2.42 O ATOM 0 H ASP A2056 -7.338 7.879 0.904 1.00 1.08 H new ATOM 0 HA ASP A2056 -6.379 10.475 1.825 1.00 1.00 H new ATOM 0 HB2 ASP A2056 -8.676 9.523 0.087 1.00 1.12 H new ATOM 0 HB3 ASP A2056 -8.552 11.187 0.624 1.00 1.12 H new ATOM 44 N PRO A2057 -7.776 10.735 3.874 1.00 1.20 N ATOM 45 CA PRO A2057 -8.565 10.893 5.096 1.00 1.36 C ATOM 46 C PRO A2057 -9.805 11.746 4.866 1.00 1.24 C ATOM 47 O PRO A2057 -10.783 11.662 5.609 1.00 1.34 O ATOM 48 CB PRO A2057 -7.596 11.597 6.046 1.00 1.72 C ATOM 49 CG PRO A2057 -6.705 12.379 5.150 1.00 1.71 C ATOM 50 CD PRO A2057 -6.541 11.544 3.906 1.00 1.41 C ATOM 0 HA PRO A2057 -8.939 9.942 5.476 1.00 1.36 H new ATOM 0 HB2 PRO A2057 -8.125 12.245 6.745 1.00 1.72 H new ATOM 0 HB3 PRO A2057 -7.031 10.880 6.641 1.00 1.72 H new ATOM 0 HG2 PRO A2057 -7.141 13.350 4.915 1.00 1.71 H new ATOM 0 HG3 PRO A2057 -5.742 12.568 5.624 1.00 1.71 H new ATOM 0 HD2 PRO A2057 -6.443 12.164 3.015 1.00 1.41 H new ATOM 0 HD3 PRO A2057 -5.651 10.917 3.957 1.00 1.41 H new ATOM 58 N LEU A2058 -9.759 12.557 3.814 1.00 1.18 N ATOM 59 CA LEU A2058 -10.863 13.444 3.482 1.00 1.17 C ATOM 60 C LEU A2058 -12.004 12.660 2.851 1.00 1.00 C ATOM 61 O LEU A2058 -13.141 13.127 2.802 1.00 1.06 O ATOM 62 CB LEU A2058 -10.397 14.551 2.530 1.00 1.35 C ATOM 63 CG LEU A2058 -9.217 15.386 3.023 1.00 1.71 C ATOM 64 CD1 LEU A2058 -8.938 16.534 2.066 1.00 2.34 C ATOM 65 CD2 LEU A2058 -9.490 15.902 4.419 1.00 2.10 C ATOM 0 H LEU A2058 -8.965 12.617 3.176 1.00 1.18 H new ATOM 0 HA LEU A2058 -11.220 13.904 4.404 1.00 1.17 H new ATOM 0 HB2 LEU A2058 -10.126 14.097 1.577 1.00 1.35 H new ATOM 0 HB3 LEU A2058 -11.237 15.218 2.337 1.00 1.35 H new ATOM 0 HG LEU A2058 -8.330 14.753 3.057 1.00 1.71 H new ATOM 0 HD11 LEU A2058 -8.094 17.118 2.434 1.00 2.34 H new ATOM 0 HD12 LEU A2058 -8.701 16.136 1.079 1.00 2.34 H new ATOM 0 HD13 LEU A2058 -9.819 17.173 1.998 1.00 2.34 H new ATOM 0 HD21 LEU A2058 -8.642 16.496 4.760 1.00 2.10 H new ATOM 0 HD22 LEU A2058 -10.386 16.522 4.409 1.00 2.10 H new ATOM 0 HD23 LEU A2058 -9.639 15.060 5.095 1.00 2.10 H new ATOM 77 N VAL A2059 -11.692 11.463 2.367 1.00 0.86 N ATOM 78 CA VAL A2059 -12.698 10.591 1.787 1.00 0.74 C ATOM 79 C VAL A2059 -12.534 9.183 2.331 1.00 0.66 C ATOM 80 O VAL A2059 -11.677 8.433 1.861 1.00 0.62 O ATOM 81 CB VAL A2059 -12.614 10.515 0.250 1.00 0.75 C ATOM 82 CG1 VAL A2059 -13.888 9.897 -0.304 1.00 0.80 C ATOM 83 CG2 VAL A2059 -12.355 11.880 -0.365 1.00 0.87 C ATOM 0 H VAL A2059 -10.748 11.077 2.366 1.00 0.86 H new ATOM 0 HA VAL A2059 -13.664 11.016 2.058 1.00 0.74 H new ATOM 0 HB VAL A2059 -11.769 9.881 -0.017 1.00 0.75 H new ATOM 0 HG11 VAL A2059 -13.824 9.845 -1.391 1.00 0.80 H new ATOM 0 HG12 VAL A2059 -14.011 8.892 0.101 1.00 0.80 H new ATOM 0 HG13 VAL A2059 -14.743 10.510 -0.019 1.00 0.80 H new ATOM 0 HG21 VAL A2059 -12.302 11.786 -1.450 1.00 0.87 H new ATOM 0 HG22 VAL A2059 -13.165 12.559 -0.098 1.00 0.87 H new ATOM 0 HG23 VAL A2059 -11.412 12.276 0.011 1.00 0.87 H new ATOM 93 N PRO A2060 -13.329 8.806 3.340 1.00 0.71 N ATOM 94 CA PRO A2060 -13.270 7.464 3.913 1.00 0.72 C ATOM 95 C PRO A2060 -13.473 6.384 2.852 1.00 0.59 C ATOM 96 O PRO A2060 -14.511 6.333 2.185 1.00 0.58 O ATOM 97 CB PRO A2060 -14.409 7.446 4.942 1.00 0.87 C ATOM 98 CG PRO A2060 -15.251 8.638 4.630 1.00 1.04 C ATOM 99 CD PRO A2060 -14.331 9.647 4.010 1.00 0.86 C ATOM 0 HA PRO A2060 -12.297 7.251 4.356 1.00 0.72 H new ATOM 0 HB2 PRO A2060 -14.989 6.526 4.868 1.00 0.87 H new ATOM 0 HB3 PRO A2060 -14.019 7.497 5.959 1.00 0.87 H new ATOM 0 HG2 PRO A2060 -16.059 8.376 3.947 1.00 1.04 H new ATOM 0 HG3 PRO A2060 -15.713 9.036 5.533 1.00 1.04 H new ATOM 0 HD2 PRO A2060 -14.855 10.292 3.304 1.00 0.86 H new ATOM 0 HD3 PRO A2060 -13.878 10.296 4.760 1.00 0.86 H new ATOM 107 N ILE A2061 -12.454 5.546 2.694 1.00 0.62 N ATOM 108 CA ILE A2061 -12.471 4.452 1.725 1.00 0.56 C ATOM 109 C ILE A2061 -13.703 3.567 1.907 1.00 0.51 C ATOM 110 O ILE A2061 -14.074 3.234 3.033 1.00 0.57 O ATOM 111 CB ILE A2061 -11.203 3.580 1.866 1.00 0.69 C ATOM 112 CG1 ILE A2061 -9.938 4.434 1.717 1.00 0.77 C ATOM 113 CG2 ILE A2061 -11.210 2.449 0.847 1.00 0.75 C ATOM 114 CD1 ILE A2061 -9.800 5.112 0.370 1.00 0.76 C ATOM 0 H ILE A2061 -11.591 5.605 3.234 1.00 0.62 H new ATOM 0 HA ILE A2061 -12.500 4.901 0.732 1.00 0.56 H new ATOM 0 HB ILE A2061 -11.203 3.140 2.863 1.00 0.69 H new ATOM 0 HG12 ILE A2061 -9.934 5.196 2.496 1.00 0.77 H new ATOM 0 HG13 ILE A2061 -9.065 3.802 1.884 1.00 0.77 H new ATOM 0 HG21 ILE A2061 -10.308 1.848 0.964 1.00 0.75 H new ATOM 0 HG22 ILE A2061 -12.087 1.822 1.006 1.00 0.75 H new ATOM 0 HG23 ILE A2061 -11.239 2.866 -0.160 1.00 0.75 H new ATOM 0 HD11 ILE A2061 -8.879 5.695 0.349 1.00 0.76 H new ATOM 0 HD12 ILE A2061 -9.770 4.357 -0.416 1.00 0.76 H new ATOM 0 HD13 ILE A2061 -10.652 5.772 0.206 1.00 0.76 H new ATOM 126 N ASP A2062 -14.328 3.194 0.794 1.00 0.45 N ATOM 127 CA ASP A2062 -15.500 2.328 0.827 1.00 0.43 C ATOM 128 C ASP A2062 -15.094 0.911 1.204 1.00 0.43 C ATOM 129 O ASP A2062 -14.162 0.348 0.632 1.00 0.43 O ATOM 130 CB ASP A2062 -16.207 2.324 -0.528 1.00 0.44 C ATOM 131 CG ASP A2062 -17.506 1.542 -0.496 1.00 0.71 C ATOM 132 OD1 ASP A2062 -18.576 2.162 -0.319 1.00 1.42 O ATOM 133 OD2 ASP A2062 -17.463 0.307 -0.642 1.00 1.40 O ATOM 0 H ASP A2062 -14.041 3.479 -0.142 1.00 0.45 H new ATOM 0 HA ASP A2062 -16.190 2.714 1.577 1.00 0.43 H new ATOM 0 HB2 ASP A2062 -16.411 3.351 -0.832 1.00 0.44 H new ATOM 0 HB3 ASP A2062 -15.545 1.894 -1.280 1.00 0.44 H new ATOM 138 N GLU A2063 -15.805 0.334 2.150 1.00 0.47 N ATOM 139 CA GLU A2063 -15.424 -0.953 2.707 1.00 0.52 C ATOM 140 C GLU A2063 -15.985 -2.119 1.897 1.00 0.51 C ATOM 141 O GLU A2063 -15.668 -3.278 2.169 1.00 0.58 O ATOM 142 CB GLU A2063 -15.893 -1.043 4.156 1.00 0.64 C ATOM 143 CG GLU A2063 -15.321 0.056 5.034 1.00 0.72 C ATOM 144 CD GLU A2063 -15.754 -0.068 6.477 1.00 0.87 C ATOM 145 OE1 GLU A2063 -16.909 0.282 6.792 1.00 1.55 O ATOM 146 OE2 GLU A2063 -14.938 -0.514 7.308 1.00 1.30 O ATOM 0 H GLU A2063 -16.652 0.735 2.552 1.00 0.47 H new ATOM 0 HA GLU A2063 -14.337 -1.026 2.665 1.00 0.52 H new ATOM 0 HB2 GLU A2063 -16.982 -0.993 4.184 1.00 0.64 H new ATOM 0 HB3 GLU A2063 -15.608 -2.012 4.565 1.00 0.64 H new ATOM 0 HG2 GLU A2063 -14.233 0.028 4.982 1.00 0.72 H new ATOM 0 HG3 GLU A2063 -15.634 1.025 4.647 1.00 0.72 H new ATOM 153 N THR A2064 -16.804 -1.827 0.896 1.00 0.49 N ATOM 154 CA THR A2064 -17.416 -2.881 0.104 1.00 0.54 C ATOM 155 C THR A2064 -16.875 -2.914 -1.325 1.00 0.50 C ATOM 156 O THR A2064 -17.338 -3.700 -2.153 1.00 0.59 O ATOM 157 CB THR A2064 -18.951 -2.753 0.082 1.00 0.60 C ATOM 158 OG1 THR A2064 -19.342 -1.452 -0.378 1.00 0.58 O ATOM 159 CG2 THR A2064 -19.526 -2.992 1.469 1.00 0.69 C ATOM 0 H THR A2064 -17.057 -0.879 0.616 1.00 0.49 H new ATOM 0 HA THR A2064 -17.151 -3.821 0.587 1.00 0.54 H new ATOM 0 HB THR A2064 -19.341 -3.506 -0.602 1.00 0.60 H new ATOM 0 HG1 THR A2064 -18.567 -0.996 -0.768 1.00 0.58 H new ATOM 0 HG21 THR A2064 -20.611 -2.898 1.434 1.00 0.69 H new ATOM 0 HG22 THR A2064 -19.260 -3.994 1.806 1.00 0.69 H new ATOM 0 HG23 THR A2064 -19.120 -2.256 2.163 1.00 0.69 H new ATOM 167 N VAL A2065 -15.899 -2.062 -1.616 1.00 0.44 N ATOM 168 CA VAL A2065 -15.220 -2.100 -2.908 1.00 0.43 C ATOM 169 C VAL A2065 -14.016 -3.030 -2.829 1.00 0.37 C ATOM 170 O VAL A2065 -13.779 -3.649 -1.789 1.00 0.46 O ATOM 171 CB VAL A2065 -14.753 -0.704 -3.359 1.00 0.48 C ATOM 172 CG1 VAL A2065 -15.941 0.217 -3.586 1.00 0.82 C ATOM 173 CG2 VAL A2065 -13.794 -0.105 -2.345 1.00 0.57 C ATOM 0 H VAL A2065 -15.561 -1.340 -0.980 1.00 0.44 H new ATOM 0 HA VAL A2065 -15.937 -2.468 -3.642 1.00 0.43 H new ATOM 0 HB VAL A2065 -14.224 -0.813 -4.306 1.00 0.48 H new ATOM 0 HG11 VAL A2065 -15.586 1.197 -3.904 1.00 0.82 H new ATOM 0 HG12 VAL A2065 -16.585 -0.204 -4.358 1.00 0.82 H new ATOM 0 HG13 VAL A2065 -16.505 0.319 -2.659 1.00 0.82 H new ATOM 0 HG21 VAL A2065 -13.476 0.881 -2.683 1.00 0.57 H new ATOM 0 HG22 VAL A2065 -14.294 -0.014 -1.381 1.00 0.57 H new ATOM 0 HG23 VAL A2065 -12.922 -0.752 -2.242 1.00 0.57 H new ATOM 183 N GLU A2066 -13.257 -3.129 -3.912 1.00 0.34 N ATOM 184 CA GLU A2066 -12.105 -4.014 -3.936 1.00 0.32 C ATOM 185 C GLU A2066 -10.823 -3.277 -3.563 1.00 0.26 C ATOM 186 O GLU A2066 -10.413 -2.315 -4.231 1.00 0.28 O ATOM 187 CB GLU A2066 -11.939 -4.676 -5.304 1.00 0.40 C ATOM 188 CG GLU A2066 -10.739 -5.610 -5.368 1.00 0.43 C ATOM 189 CD GLU A2066 -10.645 -6.371 -6.670 1.00 0.61 C ATOM 190 OE1 GLU A2066 -9.993 -5.875 -7.611 1.00 0.68 O ATOM 191 OE2 GLU A2066 -11.216 -7.477 -6.758 1.00 0.78 O ATOM 0 H GLU A2066 -13.417 -2.612 -4.777 1.00 0.34 H new ATOM 0 HA GLU A2066 -12.289 -4.789 -3.191 1.00 0.32 H new ATOM 0 HB2 GLU A2066 -12.843 -5.237 -5.543 1.00 0.40 H new ATOM 0 HB3 GLU A2066 -11.833 -3.903 -6.065 1.00 0.40 H new ATOM 0 HG2 GLU A2066 -9.827 -5.030 -5.227 1.00 0.43 H new ATOM 0 HG3 GLU A2066 -10.795 -6.320 -4.543 1.00 0.43 H new ATOM 198 N PRO A2067 -10.205 -3.684 -2.450 1.00 0.27 N ATOM 199 CA PRO A2067 -8.865 -3.293 -2.094 1.00 0.30 C ATOM 200 C PRO A2067 -7.854 -4.393 -2.429 1.00 0.28 C ATOM 201 O PRO A2067 -7.815 -5.436 -1.781 1.00 0.34 O ATOM 202 CB PRO A2067 -8.983 -3.095 -0.578 1.00 0.41 C ATOM 203 CG PRO A2067 -10.202 -3.874 -0.150 1.00 0.45 C ATOM 204 CD PRO A2067 -10.786 -4.505 -1.391 1.00 0.37 C ATOM 0 HA PRO A2067 -8.510 -2.412 -2.629 1.00 0.30 H new ATOM 0 HB2 PRO A2067 -8.090 -3.456 -0.067 1.00 0.41 H new ATOM 0 HB3 PRO A2067 -9.088 -2.039 -0.330 1.00 0.41 H new ATOM 0 HG2 PRO A2067 -9.934 -4.638 0.580 1.00 0.45 H new ATOM 0 HG3 PRO A2067 -10.930 -3.218 0.327 1.00 0.45 H new ATOM 0 HD2 PRO A2067 -10.505 -5.554 -1.487 1.00 0.37 H new ATOM 0 HD3 PRO A2067 -11.875 -4.466 -1.395 1.00 0.37 H new ATOM 212 N THR A2068 -7.043 -4.160 -3.447 1.00 0.29 N ATOM 213 CA THR A2068 -6.055 -5.139 -3.882 1.00 0.32 C ATOM 214 C THR A2068 -4.784 -4.448 -4.332 1.00 0.39 C ATOM 215 O THR A2068 -4.826 -3.364 -4.913 1.00 0.70 O ATOM 216 CB THR A2068 -6.571 -5.998 -5.052 1.00 0.34 C ATOM 217 OG1 THR A2068 -7.145 -5.157 -6.063 1.00 0.38 O ATOM 218 CG2 THR A2068 -7.592 -7.023 -4.585 1.00 0.36 C ATOM 0 H THR A2068 -7.048 -3.298 -3.992 1.00 0.29 H new ATOM 0 HA THR A2068 -5.858 -5.784 -3.025 1.00 0.32 H new ATOM 0 HB THR A2068 -5.722 -6.539 -5.469 1.00 0.34 H new ATOM 0 HG1 THR A2068 -7.972 -5.564 -6.397 1.00 0.38 H new ATOM 0 HG21 THR A2068 -7.934 -7.611 -5.437 1.00 0.36 H new ATOM 0 HG22 THR A2068 -7.134 -7.684 -3.849 1.00 0.36 H new ATOM 0 HG23 THR A2068 -8.442 -6.511 -4.134 1.00 0.36 H new ATOM 226 N PHE A2069 -3.654 -5.076 -4.081 1.00 0.25 N ATOM 227 CA PHE A2069 -2.387 -4.522 -4.518 1.00 0.26 C ATOM 228 C PHE A2069 -2.319 -4.646 -6.028 1.00 0.27 C ATOM 229 O PHE A2069 -2.994 -5.507 -6.591 1.00 0.31 O ATOM 230 CB PHE A2069 -1.200 -5.246 -3.871 1.00 0.31 C ATOM 231 CG PHE A2069 -1.219 -5.283 -2.361 1.00 0.28 C ATOM 232 CD1 PHE A2069 -0.123 -5.765 -1.666 1.00 1.14 C ATOM 233 CD2 PHE A2069 -2.327 -4.862 -1.640 1.00 1.12 C ATOM 234 CE1 PHE A2069 -0.133 -5.825 -0.289 1.00 1.16 C ATOM 235 CE2 PHE A2069 -2.340 -4.918 -0.265 1.00 1.15 C ATOM 236 CZ PHE A2069 -1.246 -5.401 0.410 1.00 0.42 C ATOM 0 H PHE A2069 -3.585 -5.963 -3.581 1.00 0.25 H new ATOM 0 HA PHE A2069 -2.326 -3.477 -4.214 1.00 0.26 H new ATOM 0 HB2 PHE A2069 -1.172 -6.270 -4.244 1.00 0.31 H new ATOM 0 HB3 PHE A2069 -0.279 -4.763 -4.196 1.00 0.31 H new ATOM 0 HD1 PHE A2069 0.749 -6.098 -2.209 1.00 1.14 H new ATOM 0 HD2 PHE A2069 -3.192 -4.485 -2.165 1.00 1.12 H new ATOM 0 HE1 PHE A2069 0.728 -6.203 0.242 1.00 1.16 H new ATOM 0 HE2 PHE A2069 -3.209 -4.583 0.282 1.00 1.15 H new ATOM 0 HZ PHE A2069 -1.256 -5.449 1.489 1.00 0.42 H new ATOM 246 N GLU A2070 -1.523 -3.808 -6.672 1.00 0.30 N ATOM 247 CA GLU A2070 -1.535 -3.698 -8.129 1.00 0.36 C ATOM 248 C GLU A2070 -1.386 -5.064 -8.804 1.00 0.36 C ATOM 249 O GLU A2070 -2.053 -5.351 -9.802 1.00 0.44 O ATOM 250 CB GLU A2070 -0.419 -2.763 -8.593 1.00 0.52 C ATOM 251 CG GLU A2070 -0.505 -2.398 -10.064 1.00 0.66 C ATOM 252 CD GLU A2070 0.729 -1.670 -10.550 1.00 1.36 C ATOM 253 OE1 GLU A2070 0.660 -0.440 -10.765 1.00 2.09 O ATOM 254 OE2 GLU A2070 1.779 -2.326 -10.716 1.00 2.01 O ATOM 0 H GLU A2070 -0.856 -3.190 -6.210 1.00 0.30 H new ATOM 0 HA GLU A2070 -2.501 -3.287 -8.421 1.00 0.36 H new ATOM 0 HB2 GLU A2070 -0.450 -1.850 -7.998 1.00 0.52 H new ATOM 0 HB3 GLU A2070 0.544 -3.236 -8.400 1.00 0.52 H new ATOM 0 HG2 GLU A2070 -0.644 -3.304 -10.653 1.00 0.66 H new ATOM 0 HG3 GLU A2070 -1.382 -1.772 -10.230 1.00 0.66 H new ATOM 261 N ASP A2071 -0.538 -5.914 -8.236 1.00 0.40 N ATOM 262 CA ASP A2071 -0.270 -7.229 -8.812 1.00 0.53 C ATOM 263 C ASP A2071 -1.216 -8.288 -8.246 1.00 0.50 C ATOM 264 O ASP A2071 -0.939 -9.482 -8.324 1.00 0.62 O ATOM 265 CB ASP A2071 1.182 -7.646 -8.551 1.00 0.69 C ATOM 266 CG ASP A2071 2.186 -6.647 -9.090 1.00 1.42 C ATOM 267 OD1 ASP A2071 2.553 -6.745 -10.281 1.00 2.06 O ATOM 268 OD2 ASP A2071 2.618 -5.759 -8.323 1.00 2.15 O ATOM 0 H ASP A2071 -0.024 -5.717 -7.377 1.00 0.40 H new ATOM 0 HA ASP A2071 -0.436 -7.155 -9.887 1.00 0.53 H new ATOM 0 HB2 ASP A2071 1.334 -7.764 -7.478 1.00 0.69 H new ATOM 0 HB3 ASP A2071 1.363 -8.619 -9.008 1.00 0.69 H new ATOM 273 N GLY A2072 -2.331 -7.844 -7.675 1.00 0.43 N ATOM 274 CA GLY A2072 -3.311 -8.765 -7.131 1.00 0.48 C ATOM 275 C GLY A2072 -2.875 -9.369 -5.810 1.00 0.48 C ATOM 276 O GLY A2072 -3.262 -10.487 -5.474 1.00 0.63 O ATOM 0 H GLY A2072 -2.574 -6.858 -7.579 1.00 0.43 H new ATOM 0 HA2 GLY A2072 -4.257 -8.242 -6.992 1.00 0.48 H new ATOM 0 HA3 GLY A2072 -3.491 -9.564 -7.850 1.00 0.48 H new ATOM 280 N SER A2073 -2.080 -8.628 -5.052 1.00 0.37 N ATOM 281 CA SER A2073 -1.554 -9.132 -3.787 1.00 0.38 C ATOM 282 C SER A2073 -2.429 -8.683 -2.614 1.00 0.35 C ATOM 283 O SER A2073 -3.234 -7.756 -2.748 1.00 0.38 O ATOM 284 CB SER A2073 -0.113 -8.652 -3.597 1.00 0.46 C ATOM 285 OG SER A2073 0.652 -8.863 -4.773 1.00 0.89 O ATOM 0 H SER A2073 -1.785 -7.680 -5.287 1.00 0.37 H new ATOM 0 HA SER A2073 -1.565 -10.222 -3.814 1.00 0.38 H new ATOM 0 HB2 SER A2073 -0.110 -7.592 -3.342 1.00 0.46 H new ATOM 0 HB3 SER A2073 0.344 -9.183 -2.762 1.00 0.46 H new ATOM 0 HG SER A2073 1.568 -8.547 -4.628 1.00 0.89 H new ATOM 291 N LYS A2074 -2.280 -9.358 -1.475 1.00 0.35 N ATOM 292 CA LYS A2074 -3.089 -9.071 -0.292 1.00 0.34 C ATOM 293 C LYS A2074 -2.220 -8.691 0.908 1.00 0.34 C ATOM 294 O LYS A2074 -2.682 -8.015 1.827 1.00 0.42 O ATOM 295 CB LYS A2074 -3.960 -10.278 0.064 1.00 0.39 C ATOM 296 CG LYS A2074 -4.967 -10.653 -1.014 1.00 0.53 C ATOM 297 CD LYS A2074 -5.973 -9.540 -1.257 1.00 0.43 C ATOM 298 CE LYS A2074 -7.045 -9.961 -2.249 1.00 0.55 C ATOM 299 NZ LYS A2074 -7.854 -11.103 -1.749 1.00 1.13 N ATOM 0 H LYS A2074 -1.603 -10.110 -1.347 1.00 0.35 H new ATOM 0 HA LYS A2074 -3.727 -8.220 -0.532 1.00 0.34 H new ATOM 0 HB2 LYS A2074 -3.314 -11.135 0.258 1.00 0.39 H new ATOM 0 HB3 LYS A2074 -4.496 -10.067 0.990 1.00 0.39 H new ATOM 0 HG2 LYS A2074 -4.440 -10.876 -1.942 1.00 0.53 H new ATOM 0 HG3 LYS A2074 -5.493 -11.561 -0.720 1.00 0.53 H new ATOM 0 HD2 LYS A2074 -6.440 -9.259 -0.313 1.00 0.43 H new ATOM 0 HD3 LYS A2074 -5.456 -8.657 -1.632 1.00 0.43 H new ATOM 0 HE2 LYS A2074 -7.701 -9.115 -2.453 1.00 0.55 H new ATOM 0 HE3 LYS A2074 -6.576 -10.236 -3.194 1.00 0.55 H new ATOM 0 HZ1 LYS A2074 -8.733 -11.173 -2.300 1.00 1.13 H new ATOM 0 HZ2 LYS A2074 -7.311 -11.984 -1.850 1.00 1.13 H new ATOM 0 HZ3 LYS A2074 -8.085 -10.952 -0.746 1.00 1.13 H new ATOM 313 N GLU A2075 -0.972 -9.144 0.909 1.00 0.33 N ATOM 314 CA GLU A2075 -0.022 -8.775 1.950 1.00 0.32 C ATOM 315 C GLU A2075 1.404 -8.970 1.465 1.00 0.34 C ATOM 316 O GLU A2075 1.783 -10.049 1.002 1.00 0.47 O ATOM 317 CB GLU A2075 -0.278 -9.566 3.246 1.00 0.36 C ATOM 318 CG GLU A2075 0.975 -9.947 4.017 1.00 0.91 C ATOM 319 CD GLU A2075 0.685 -10.923 5.138 1.00 1.40 C ATOM 320 OE1 GLU A2075 0.522 -10.483 6.297 1.00 2.08 O ATOM 321 OE2 GLU A2075 0.618 -12.141 4.866 1.00 1.88 O ATOM 0 H GLU A2075 -0.594 -9.770 0.198 1.00 0.33 H new ATOM 0 HA GLU A2075 -0.164 -7.718 2.177 1.00 0.32 H new ATOM 0 HB2 GLU A2075 -0.922 -8.973 3.896 1.00 0.36 H new ATOM 0 HB3 GLU A2075 -0.826 -10.475 2.998 1.00 0.36 H new ATOM 0 HG2 GLU A2075 1.700 -10.388 3.333 1.00 0.91 H new ATOM 0 HG3 GLU A2075 1.432 -9.048 4.430 1.00 0.91 H new ATOM 328 N LYS A2076 2.179 -7.906 1.546 1.00 0.35 N ATOM 329 CA LYS A2076 3.589 -7.963 1.218 1.00 0.38 C ATOM 330 C LYS A2076 4.412 -7.487 2.395 1.00 0.37 C ATOM 331 O LYS A2076 4.489 -6.289 2.664 1.00 0.37 O ATOM 332 CB LYS A2076 3.902 -7.116 -0.019 1.00 0.44 C ATOM 333 CG LYS A2076 3.681 -7.851 -1.330 1.00 0.88 C ATOM 334 CD LYS A2076 4.970 -7.968 -2.136 1.00 0.91 C ATOM 335 CE LYS A2076 6.098 -8.597 -1.325 1.00 0.88 C ATOM 336 NZ LYS A2076 7.253 -8.978 -2.179 1.00 1.48 N ATOM 0 H LYS A2076 1.852 -6.985 1.839 1.00 0.35 H new ATOM 0 HA LYS A2076 3.846 -8.998 0.994 1.00 0.38 H new ATOM 0 HB2 LYS A2076 3.279 -6.222 -0.004 1.00 0.44 H new ATOM 0 HB3 LYS A2076 4.939 -6.783 0.031 1.00 0.44 H new ATOM 0 HG2 LYS A2076 3.287 -8.847 -1.127 1.00 0.88 H new ATOM 0 HG3 LYS A2076 2.930 -7.325 -1.920 1.00 0.88 H new ATOM 0 HD2 LYS A2076 4.787 -8.568 -3.027 1.00 0.91 H new ATOM 0 HD3 LYS A2076 5.276 -6.978 -2.475 1.00 0.91 H new ATOM 0 HE2 LYS A2076 6.429 -7.895 -0.560 1.00 0.88 H new ATOM 0 HE3 LYS A2076 5.723 -9.480 -0.807 1.00 0.88 H new ATOM 0 HZ1 LYS A2076 7.746 -9.789 -1.754 1.00 1.48 H new ATOM 0 HZ2 LYS A2076 6.913 -9.237 -3.127 1.00 1.48 H new ATOM 0 HZ3 LYS A2076 7.909 -8.175 -2.254 1.00 1.48 H new ATOM 350 N THR A2077 4.988 -8.428 3.120 1.00 0.45 N ATOM 351 CA THR A2077 5.879 -8.090 4.202 1.00 0.47 C ATOM 352 C THR A2077 7.315 -8.127 3.738 1.00 0.52 C ATOM 353 O THR A2077 7.844 -9.182 3.381 1.00 0.63 O ATOM 354 CB THR A2077 5.736 -9.030 5.410 1.00 0.50 C ATOM 355 OG1 THR A2077 4.400 -8.970 5.921 1.00 0.48 O ATOM 356 CG2 THR A2077 6.729 -8.640 6.501 1.00 0.55 C ATOM 0 H THR A2077 4.852 -9.429 2.976 1.00 0.45 H new ATOM 0 HA THR A2077 5.601 -7.084 4.516 1.00 0.47 H new ATOM 0 HB THR A2077 5.949 -10.050 5.089 1.00 0.50 H new ATOM 0 HG1 THR A2077 4.316 -9.573 6.689 1.00 0.48 H new ATOM 0 HG21 THR A2077 6.618 -9.313 7.351 1.00 0.55 H new ATOM 0 HG22 THR A2077 7.744 -8.712 6.111 1.00 0.55 H new ATOM 0 HG23 THR A2077 6.535 -7.616 6.821 1.00 0.55 H new ATOM 364 N ILE A2078 7.927 -6.969 3.717 1.00 0.51 N ATOM 365 CA ILE A2078 9.345 -6.871 3.495 1.00 0.60 C ATOM 366 C ILE A2078 9.970 -6.291 4.756 1.00 0.60 C ATOM 367 O ILE A2078 9.743 -5.130 5.082 1.00 0.53 O ATOM 368 CB ILE A2078 9.660 -5.997 2.264 1.00 0.67 C ATOM 369 CG1 ILE A2078 8.954 -6.554 1.023 1.00 0.75 C ATOM 370 CG2 ILE A2078 11.162 -5.915 2.028 1.00 0.80 C ATOM 371 CD1 ILE A2078 9.511 -7.874 0.539 1.00 1.62 C ATOM 0 H ILE A2078 7.458 -6.073 3.853 1.00 0.51 H new ATOM 0 HA ILE A2078 9.761 -7.857 3.288 1.00 0.60 H new ATOM 0 HB ILE A2078 9.290 -4.990 2.455 1.00 0.67 H new ATOM 0 HG12 ILE A2078 7.894 -6.678 1.246 1.00 0.75 H new ATOM 0 HG13 ILE A2078 9.027 -5.823 0.217 1.00 0.75 H new ATOM 0 HG21 ILE A2078 11.360 -5.293 1.155 1.00 0.80 H new ATOM 0 HG22 ILE A2078 11.644 -5.477 2.902 1.00 0.80 H new ATOM 0 HG23 ILE A2078 11.559 -6.916 1.858 1.00 0.80 H new ATOM 0 HD11 ILE A2078 8.958 -8.201 -0.342 1.00 1.62 H new ATOM 0 HD12 ILE A2078 10.563 -7.753 0.283 1.00 1.62 H new ATOM 0 HD13 ILE A2078 9.413 -8.621 1.327 1.00 1.62 H new ATOM 383 N PRO A2079 10.708 -7.120 5.513 1.00 0.72 N ATOM 384 CA PRO A2079 11.251 -6.742 6.824 1.00 0.79 C ATOM 385 C PRO A2079 11.974 -5.400 6.816 1.00 0.74 C ATOM 386 O PRO A2079 12.993 -5.231 6.144 1.00 0.76 O ATOM 387 CB PRO A2079 12.228 -7.871 7.139 1.00 0.94 C ATOM 388 CG PRO A2079 11.687 -9.047 6.406 1.00 0.98 C ATOM 389 CD PRO A2079 11.068 -8.502 5.149 1.00 0.85 C ATOM 0 HA PRO A2079 10.457 -6.617 7.561 1.00 0.79 H new ATOM 0 HB2 PRO A2079 13.237 -7.627 6.808 1.00 0.94 H new ATOM 0 HB3 PRO A2079 12.282 -8.062 8.211 1.00 0.94 H new ATOM 0 HG2 PRO A2079 12.478 -9.760 6.174 1.00 0.98 H new ATOM 0 HG3 PRO A2079 10.948 -9.576 7.008 1.00 0.98 H new ATOM 0 HD2 PRO A2079 11.768 -8.528 4.314 1.00 0.85 H new ATOM 0 HD3 PRO A2079 10.193 -9.079 4.850 1.00 0.85 H new ATOM 397 N GLY A2080 11.423 -4.443 7.553 1.00 0.73 N ATOM 398 CA GLY A2080 12.025 -3.130 7.645 1.00 0.76 C ATOM 399 C GLY A2080 11.526 -2.187 6.571 1.00 0.70 C ATOM 400 O GLY A2080 11.813 -0.993 6.609 1.00 0.94 O ATOM 0 H GLY A2080 10.564 -4.556 8.091 1.00 0.73 H new ATOM 0 HA2 GLY A2080 11.812 -2.704 8.625 1.00 0.76 H new ATOM 0 HA3 GLY A2080 13.108 -3.224 7.567 1.00 0.76 H new ATOM 404 N GLN A2081 10.771 -2.722 5.622 1.00 0.54 N ATOM 405 CA GLN A2081 10.283 -1.944 4.490 1.00 0.53 C ATOM 406 C GLN A2081 8.791 -1.690 4.641 1.00 0.50 C ATOM 407 O GLN A2081 8.268 -0.664 4.195 1.00 0.57 O ATOM 408 CB GLN A2081 10.610 -2.696 3.192 1.00 0.57 C ATOM 409 CG GLN A2081 10.001 -2.119 1.917 1.00 0.95 C ATOM 410 CD GLN A2081 8.766 -2.878 1.458 1.00 1.09 C ATOM 411 OE1 GLN A2081 8.000 -3.394 2.268 1.00 2.02 O ATOM 412 NE2 GLN A2081 8.588 -2.998 0.150 1.00 0.87 N ATOM 0 H GLN A2081 10.481 -3.700 5.613 1.00 0.54 H new ATOM 0 HA GLN A2081 10.775 -0.972 4.455 1.00 0.53 H new ATOM 0 HB2 GLN A2081 11.693 -2.724 3.074 1.00 0.57 H new ATOM 0 HB3 GLN A2081 10.274 -3.728 3.298 1.00 0.57 H new ATOM 0 HG2 GLN A2081 9.738 -1.075 2.086 1.00 0.95 H new ATOM 0 HG3 GLN A2081 10.748 -2.136 1.123 1.00 0.95 H new ATOM 0 HE21 GLN A2081 9.242 -2.557 -0.496 1.00 0.87 H new ATOM 0 HE22 GLN A2081 7.797 -3.531 -0.210 1.00 0.87 H new ATOM 421 N GLY A2082 8.111 -2.632 5.272 1.00 0.47 N ATOM 422 CA GLY A2082 6.721 -2.434 5.605 1.00 0.50 C ATOM 423 C GLY A2082 5.868 -3.649 5.320 1.00 0.40 C ATOM 424 O GLY A2082 6.335 -4.637 4.747 1.00 0.45 O ATOM 0 H GLY A2082 8.498 -3.531 5.559 1.00 0.47 H new ATOM 0 HA2 GLY A2082 6.639 -2.179 6.661 1.00 0.50 H new ATOM 0 HA3 GLY A2082 6.335 -1.585 5.041 1.00 0.50 H new ATOM 428 N THR A2083 4.623 -3.583 5.757 1.00 0.33 N ATOM 429 CA THR A2083 3.638 -4.594 5.433 1.00 0.29 C ATOM 430 C THR A2083 2.317 -3.933 5.108 1.00 0.25 C ATOM 431 O THR A2083 1.819 -3.094 5.860 1.00 0.30 O ATOM 432 CB THR A2083 3.414 -5.605 6.575 1.00 0.36 C ATOM 433 OG1 THR A2083 4.657 -6.230 6.921 1.00 0.49 O ATOM 434 CG2 THR A2083 2.391 -6.669 6.164 1.00 0.36 C ATOM 0 H THR A2083 4.269 -2.828 6.345 1.00 0.33 H new ATOM 0 HA THR A2083 4.026 -5.143 4.575 1.00 0.29 H new ATOM 0 HB THR A2083 3.025 -5.070 7.441 1.00 0.36 H new ATOM 0 HG1 THR A2083 4.598 -7.193 6.749 1.00 0.49 H new ATOM 0 HG21 THR A2083 2.248 -7.372 6.984 1.00 0.36 H new ATOM 0 HG22 THR A2083 1.441 -6.189 5.928 1.00 0.36 H new ATOM 0 HG23 THR A2083 2.755 -7.204 5.287 1.00 0.36 H new ATOM 442 N TYR A2084 1.774 -4.290 3.974 1.00 0.28 N ATOM 443 CA TYR A2084 0.472 -3.815 3.579 1.00 0.34 C ATOM 444 C TYR A2084 -0.495 -4.977 3.688 1.00 0.32 C ATOM 445 O TYR A2084 -0.232 -6.050 3.151 1.00 0.29 O ATOM 446 CB TYR A2084 0.531 -3.275 2.151 1.00 0.43 C ATOM 447 CG TYR A2084 1.924 -2.874 1.728 1.00 0.44 C ATOM 448 CD1 TYR A2084 2.431 -1.612 2.014 1.00 1.13 C ATOM 449 CD2 TYR A2084 2.740 -3.770 1.052 1.00 1.38 C ATOM 450 CE1 TYR A2084 3.712 -1.259 1.636 1.00 1.15 C ATOM 451 CE2 TYR A2084 4.018 -3.425 0.672 1.00 1.44 C ATOM 452 CZ TYR A2084 4.500 -2.171 0.965 1.00 0.62 C ATOM 453 OH TYR A2084 5.771 -1.831 0.587 1.00 0.76 O ATOM 0 H TYR A2084 2.218 -4.915 3.301 1.00 0.28 H new ATOM 0 HA TYR A2084 0.139 -3.002 4.224 1.00 0.34 H new ATOM 0 HB2 TYR A2084 0.154 -4.034 1.466 1.00 0.43 H new ATOM 0 HB3 TYR A2084 -0.130 -2.413 2.067 1.00 0.43 H new ATOM 0 HD1 TYR A2084 1.815 -0.897 2.539 1.00 1.13 H new ATOM 0 HD2 TYR A2084 2.366 -4.756 0.820 1.00 1.38 H new ATOM 0 HE1 TYR A2084 4.094 -0.275 1.864 1.00 1.15 H new ATOM 0 HE2 TYR A2084 4.638 -4.136 0.147 1.00 1.44 H new ATOM 0 HH TYR A2084 5.818 -0.865 0.430 1.00 0.76 H new ATOM 463 N THR A2085 -1.577 -4.790 4.417 1.00 0.39 N ATOM 464 CA THR A2085 -2.502 -5.879 4.675 1.00 0.40 C ATOM 465 C THR A2085 -3.934 -5.507 4.326 1.00 0.41 C ATOM 466 O THR A2085 -4.435 -4.460 4.739 1.00 0.49 O ATOM 467 CB THR A2085 -2.433 -6.315 6.150 1.00 0.46 C ATOM 468 OG1 THR A2085 -2.205 -5.171 6.988 1.00 0.63 O ATOM 469 CG2 THR A2085 -1.336 -7.343 6.368 1.00 0.57 C ATOM 0 H THR A2085 -1.838 -3.899 4.840 1.00 0.39 H new ATOM 0 HA THR A2085 -2.199 -6.707 4.034 1.00 0.40 H new ATOM 0 HB THR A2085 -3.386 -6.774 6.413 1.00 0.46 H new ATOM 0 HG1 THR A2085 -2.164 -5.455 7.925 1.00 0.63 H new ATOM 0 HG21 THR A2085 -1.312 -7.632 7.419 1.00 0.57 H new ATOM 0 HG22 THR A2085 -1.534 -8.222 5.755 1.00 0.57 H new ATOM 0 HG23 THR A2085 -0.374 -6.914 6.087 1.00 0.57 H new ATOM 477 N ILE A2086 -4.580 -6.363 3.551 1.00 0.39 N ATOM 478 CA ILE A2086 -5.985 -6.195 3.233 1.00 0.40 C ATOM 479 C ILE A2086 -6.766 -7.449 3.591 1.00 0.45 C ATOM 480 O ILE A2086 -6.353 -8.567 3.274 1.00 0.55 O ATOM 481 CB ILE A2086 -6.203 -5.829 1.735 1.00 0.47 C ATOM 482 CG1 ILE A2086 -7.694 -5.889 1.341 1.00 0.56 C ATOM 483 CG2 ILE A2086 -5.368 -6.717 0.828 1.00 0.57 C ATOM 484 CD1 ILE A2086 -8.181 -7.245 0.852 1.00 1.18 C ATOM 0 H ILE A2086 -4.149 -7.185 3.129 1.00 0.39 H new ATOM 0 HA ILE A2086 -6.356 -5.363 3.831 1.00 0.40 H new ATOM 0 HB ILE A2086 -5.871 -4.799 1.603 1.00 0.47 H new ATOM 0 HG12 ILE A2086 -8.293 -5.595 2.203 1.00 0.56 H new ATOM 0 HG13 ILE A2086 -7.877 -5.152 0.559 1.00 0.56 H new ATOM 0 HG21 ILE A2086 -5.540 -6.439 -0.212 1.00 0.57 H new ATOM 0 HG22 ILE A2086 -4.312 -6.591 1.067 1.00 0.57 H new ATOM 0 HG23 ILE A2086 -5.652 -7.759 0.977 1.00 0.57 H new ATOM 0 HD11 ILE A2086 -9.240 -7.182 0.601 1.00 1.18 H new ATOM 0 HD12 ILE A2086 -7.615 -7.538 -0.032 1.00 1.18 H new ATOM 0 HD13 ILE A2086 -8.038 -7.988 1.637 1.00 1.18 H new ATOM 496 N VAL A2087 -7.878 -7.257 4.279 1.00 0.49 N ATOM 497 CA VAL A2087 -8.831 -8.328 4.503 1.00 0.59 C ATOM 498 C VAL A2087 -10.212 -7.881 4.032 1.00 0.58 C ATOM 499 O VAL A2087 -10.587 -6.711 4.196 1.00 0.53 O ATOM 500 CB VAL A2087 -8.881 -8.781 5.982 1.00 0.73 C ATOM 501 CG1 VAL A2087 -7.589 -9.483 6.370 1.00 0.78 C ATOM 502 CG2 VAL A2087 -9.137 -7.605 6.904 1.00 0.80 C ATOM 0 H VAL A2087 -8.143 -6.364 4.694 1.00 0.49 H new ATOM 0 HA VAL A2087 -8.503 -9.193 3.926 1.00 0.59 H new ATOM 0 HB VAL A2087 -9.707 -9.484 6.089 1.00 0.73 H new ATOM 0 HG11 VAL A2087 -7.643 -9.794 7.413 1.00 0.78 H new ATOM 0 HG12 VAL A2087 -7.447 -10.359 5.737 1.00 0.78 H new ATOM 0 HG13 VAL A2087 -6.750 -8.800 6.238 1.00 0.78 H new ATOM 0 HG21 VAL A2087 -9.167 -7.952 7.937 1.00 0.80 H new ATOM 0 HG22 VAL A2087 -8.337 -6.873 6.791 1.00 0.80 H new ATOM 0 HG23 VAL A2087 -10.091 -7.143 6.648 1.00 0.80 H new ATOM 512 N PRO A2088 -10.980 -8.811 3.439 1.00 0.66 N ATOM 513 CA PRO A2088 -12.250 -8.510 2.749 1.00 0.68 C ATOM 514 C PRO A2088 -13.333 -7.927 3.657 1.00 0.66 C ATOM 515 O PRO A2088 -14.434 -7.619 3.197 1.00 0.69 O ATOM 516 CB PRO A2088 -12.700 -9.868 2.207 1.00 0.81 C ATOM 517 CG PRO A2088 -11.975 -10.876 3.030 1.00 0.97 C ATOM 518 CD PRO A2088 -10.663 -10.249 3.388 1.00 0.78 C ATOM 0 HA PRO A2088 -12.097 -7.745 1.988 1.00 0.68 H new ATOM 0 HB2 PRO A2088 -13.780 -9.990 2.296 1.00 0.81 H new ATOM 0 HB3 PRO A2088 -12.454 -9.972 1.150 1.00 0.81 H new ATOM 0 HG2 PRO A2088 -12.543 -11.131 3.925 1.00 0.97 H new ATOM 0 HG3 PRO A2088 -11.826 -11.801 2.473 1.00 0.97 H new ATOM 0 HD2 PRO A2088 -10.290 -10.613 4.345 1.00 0.78 H new ATOM 0 HD3 PRO A2088 -9.897 -10.466 2.644 1.00 0.78 H new ATOM 526 N ASP A2089 -13.019 -7.761 4.935 1.00 0.67 N ATOM 527 CA ASP A2089 -13.956 -7.174 5.882 1.00 0.73 C ATOM 528 C ASP A2089 -14.082 -5.672 5.624 1.00 0.66 C ATOM 529 O ASP A2089 -14.975 -5.005 6.144 1.00 0.73 O ATOM 530 CB ASP A2089 -13.492 -7.440 7.318 1.00 0.85 C ATOM 531 CG ASP A2089 -14.511 -7.006 8.353 1.00 1.59 C ATOM 532 OD1 ASP A2089 -15.677 -7.450 8.271 1.00 2.29 O ATOM 533 OD2 ASP A2089 -14.147 -6.243 9.270 1.00 2.26 O ATOM 0 H ASP A2089 -12.121 -8.025 5.340 1.00 0.67 H new ATOM 0 HA ASP A2089 -14.935 -7.634 5.748 1.00 0.73 H new ATOM 0 HB2 ASP A2089 -13.289 -8.504 7.438 1.00 0.85 H new ATOM 0 HB3 ASP A2089 -12.554 -6.914 7.495 1.00 0.85 H new ATOM 538 N GLY A2090 -13.177 -5.152 4.800 1.00 0.59 N ATOM 539 CA GLY A2090 -13.229 -3.754 4.422 1.00 0.63 C ATOM 540 C GLY A2090 -12.156 -2.935 5.099 1.00 0.70 C ATOM 541 O GLY A2090 -12.117 -1.712 4.966 1.00 0.83 O ATOM 0 H GLY A2090 -12.407 -5.677 4.387 1.00 0.59 H new ATOM 0 HA2 GLY A2090 -13.120 -3.668 3.341 1.00 0.63 H new ATOM 0 HA3 GLY A2090 -14.208 -3.348 4.677 1.00 0.63 H new ATOM 545 N THR A2091 -11.271 -3.607 5.812 1.00 0.70 N ATOM 546 CA THR A2091 -10.206 -2.929 6.523 1.00 0.79 C ATOM 547 C THR A2091 -8.861 -3.235 5.876 1.00 0.60 C ATOM 548 O THR A2091 -8.519 -4.396 5.626 1.00 0.59 O ATOM 549 CB THR A2091 -10.193 -3.294 8.025 1.00 1.05 C ATOM 550 OG1 THR A2091 -9.005 -2.791 8.653 1.00 1.51 O ATOM 551 CG2 THR A2091 -10.293 -4.799 8.231 1.00 0.86 C ATOM 0 H THR A2091 -11.270 -4.622 5.913 1.00 0.70 H new ATOM 0 HA THR A2091 -10.391 -1.857 6.456 1.00 0.79 H new ATOM 0 HB THR A2091 -11.065 -2.829 8.486 1.00 1.05 H new ATOM 0 HG1 THR A2091 -9.012 -3.028 9.604 1.00 1.51 H new ATOM 0 HG21 THR A2091 -10.281 -5.022 9.298 1.00 0.86 H new ATOM 0 HG22 THR A2091 -11.222 -5.165 7.794 1.00 0.86 H new ATOM 0 HG23 THR A2091 -9.447 -5.289 7.749 1.00 0.86 H new ATOM 559 N VAL A2092 -8.120 -2.179 5.572 1.00 0.60 N ATOM 560 CA VAL A2092 -6.853 -2.299 4.871 1.00 0.54 C ATOM 561 C VAL A2092 -5.826 -1.378 5.511 1.00 0.55 C ATOM 562 O VAL A2092 -6.137 -0.238 5.855 1.00 0.78 O ATOM 563 CB VAL A2092 -6.995 -1.934 3.378 1.00 0.79 C ATOM 564 CG1 VAL A2092 -5.727 -2.278 2.616 1.00 1.02 C ATOM 565 CG2 VAL A2092 -8.198 -2.626 2.757 1.00 1.18 C ATOM 0 H VAL A2092 -8.380 -1.220 5.804 1.00 0.60 H new ATOM 0 HA VAL A2092 -6.529 -3.337 4.943 1.00 0.54 H new ATOM 0 HB VAL A2092 -7.154 -0.858 3.311 1.00 0.79 H new ATOM 0 HG11 VAL A2092 -5.850 -2.012 1.566 1.00 1.02 H new ATOM 0 HG12 VAL A2092 -4.888 -1.722 3.035 1.00 1.02 H new ATOM 0 HG13 VAL A2092 -5.531 -3.347 2.699 1.00 1.02 H new ATOM 0 HG21 VAL A2092 -8.273 -2.351 1.705 1.00 1.18 H new ATOM 0 HG22 VAL A2092 -8.080 -3.706 2.842 1.00 1.18 H new ATOM 0 HG23 VAL A2092 -9.104 -2.318 3.278 1.00 1.18 H new ATOM 575 N THR A2093 -4.615 -1.870 5.683 1.00 0.47 N ATOM 576 CA THR A2093 -3.573 -1.108 6.319 1.00 0.53 C ATOM 577 C THR A2093 -2.382 -0.903 5.380 1.00 0.44 C ATOM 578 O THR A2093 -1.665 -1.853 5.051 1.00 0.41 O ATOM 579 CB THR A2093 -3.124 -1.834 7.593 1.00 0.71 C ATOM 580 OG1 THR A2093 -4.273 -2.157 8.389 1.00 1.46 O ATOM 581 CG2 THR A2093 -2.177 -0.972 8.391 1.00 0.71 C ATOM 0 H THR A2093 -4.332 -2.804 5.386 1.00 0.47 H new ATOM 0 HA THR A2093 -3.966 -0.124 6.574 1.00 0.53 H new ATOM 0 HB THR A2093 -2.604 -2.749 7.311 1.00 0.71 H new ATOM 0 HG1 THR A2093 -3.987 -2.623 9.203 1.00 1.46 H new ATOM 0 HG21 THR A2093 -1.870 -1.505 9.291 1.00 0.71 H new ATOM 0 HG22 THR A2093 -1.298 -0.742 7.788 1.00 0.71 H new ATOM 0 HG23 THR A2093 -2.677 -0.045 8.671 1.00 0.71 H new ATOM 589 N PHE A2094 -2.197 0.335 4.928 1.00 0.46 N ATOM 590 CA PHE A2094 -1.038 0.700 4.118 1.00 0.42 C ATOM 591 C PHE A2094 0.098 1.145 5.036 1.00 0.43 C ATOM 592 O PHE A2094 0.110 2.286 5.499 1.00 0.52 O ATOM 593 CB PHE A2094 -1.382 1.845 3.140 1.00 0.51 C ATOM 594 CG PHE A2094 -2.290 1.468 1.989 1.00 0.47 C ATOM 595 CD1 PHE A2094 -2.423 2.309 0.883 1.00 1.21 C ATOM 596 CD2 PHE A2094 -3.005 0.281 2.001 1.00 1.26 C ATOM 597 CE1 PHE A2094 -3.243 1.966 -0.171 1.00 1.23 C ATOM 598 CE2 PHE A2094 -3.829 -0.059 0.946 1.00 1.27 C ATOM 599 CZ PHE A2094 -3.947 0.783 -0.140 1.00 0.55 C ATOM 0 H PHE A2094 -2.839 1.106 5.110 1.00 0.46 H new ATOM 0 HA PHE A2094 -0.735 -0.171 3.537 1.00 0.42 H new ATOM 0 HB2 PHE A2094 -1.853 2.651 3.703 1.00 0.51 H new ATOM 0 HB3 PHE A2094 -0.453 2.242 2.732 1.00 0.51 H new ATOM 0 HD1 PHE A2094 -1.877 3.240 0.852 1.00 1.21 H new ATOM 0 HD2 PHE A2094 -2.917 -0.386 2.846 1.00 1.26 H new ATOM 0 HE1 PHE A2094 -3.333 2.626 -1.021 1.00 1.23 H new ATOM 0 HE2 PHE A2094 -4.382 -0.986 0.971 1.00 1.27 H new ATOM 0 HZ PHE A2094 -4.591 0.515 -0.965 1.00 0.55 H new ATOM 609 N THR A2095 1.042 0.254 5.313 1.00 0.37 N ATOM 610 CA THR A2095 2.147 0.583 6.204 1.00 0.39 C ATOM 611 C THR A2095 3.486 0.598 5.462 1.00 0.37 C ATOM 612 O THR A2095 4.158 -0.428 5.358 1.00 0.37 O ATOM 613 CB THR A2095 2.228 -0.420 7.370 1.00 0.47 C ATOM 614 OG1 THR A2095 0.942 -0.556 7.987 1.00 0.58 O ATOM 615 CG2 THR A2095 3.241 0.032 8.409 1.00 0.58 C ATOM 0 H THR A2095 1.065 -0.694 4.937 1.00 0.37 H new ATOM 0 HA THR A2095 1.952 1.582 6.595 1.00 0.39 H new ATOM 0 HB THR A2095 2.547 -1.381 6.968 1.00 0.47 H new ATOM 0 HG1 THR A2095 1.000 -1.196 8.726 1.00 0.58 H new ATOM 0 HG21 THR A2095 3.278 -0.694 9.221 1.00 0.58 H new ATOM 0 HG22 THR A2095 4.225 0.111 7.947 1.00 0.58 H new ATOM 0 HG23 THR A2095 2.947 1.004 8.805 1.00 0.58 H new ATOM 623 N PRO A2096 3.874 1.758 4.908 1.00 0.50 N ATOM 624 CA PRO A2096 5.162 1.932 4.257 1.00 0.61 C ATOM 625 C PRO A2096 6.241 2.460 5.211 1.00 0.69 C ATOM 626 O PRO A2096 6.111 3.553 5.769 1.00 0.81 O ATOM 627 CB PRO A2096 4.842 2.965 3.178 1.00 0.88 C ATOM 628 CG PRO A2096 3.711 3.783 3.728 1.00 0.98 C ATOM 629 CD PRO A2096 3.085 2.997 4.859 1.00 0.69 C ATOM 0 HA PRO A2096 5.570 0.995 3.879 1.00 0.61 H new ATOM 0 HB2 PRO A2096 5.709 3.589 2.963 1.00 0.88 H new ATOM 0 HB3 PRO A2096 4.558 2.481 2.244 1.00 0.88 H new ATOM 0 HG2 PRO A2096 4.074 4.746 4.086 1.00 0.98 H new ATOM 0 HG3 PRO A2096 2.974 3.989 2.951 1.00 0.98 H new ATOM 0 HD2 PRO A2096 3.138 3.542 5.801 1.00 0.69 H new ATOM 0 HD3 PRO A2096 2.032 2.792 4.668 1.00 0.69 H new ATOM 637 N ASP A2097 7.303 1.689 5.397 1.00 0.89 N ATOM 638 CA ASP A2097 8.447 2.150 6.175 1.00 1.14 C ATOM 639 C ASP A2097 9.441 2.847 5.256 1.00 1.37 C ATOM 640 O ASP A2097 10.413 2.250 4.794 1.00 1.39 O ATOM 641 CB ASP A2097 9.125 0.993 6.920 1.00 1.24 C ATOM 642 CG ASP A2097 8.457 0.674 8.244 1.00 2.06 C ATOM 643 OD1 ASP A2097 7.569 -0.205 8.283 1.00 2.61 O ATOM 644 OD2 ASP A2097 8.823 1.304 9.261 1.00 2.72 O ATOM 0 H ASP A2097 7.398 0.745 5.022 1.00 0.89 H new ATOM 0 HA ASP A2097 8.090 2.855 6.925 1.00 1.14 H new ATOM 0 HB2 ASP A2097 9.113 0.104 6.289 1.00 1.24 H new ATOM 0 HB3 ASP A2097 10.171 1.244 7.097 1.00 1.24 H new ATOM 649 N LYS A2098 9.198 4.129 5.017 1.00 1.89 N ATOM 650 CA LYS A2098 9.946 4.888 4.023 1.00 2.37 C ATOM 651 C LYS A2098 11.346 5.258 4.507 1.00 2.32 C ATOM 652 O LYS A2098 12.124 5.870 3.774 1.00 2.66 O ATOM 653 CB LYS A2098 9.156 6.138 3.607 1.00 3.03 C ATOM 654 CG LYS A2098 8.734 7.042 4.761 1.00 3.48 C ATOM 655 CD LYS A2098 9.858 7.964 5.206 1.00 4.03 C ATOM 656 CE LYS A2098 9.399 8.913 6.299 1.00 4.43 C ATOM 657 NZ LYS A2098 10.461 9.884 6.666 1.00 4.81 N ATOM 0 H LYS A2098 8.482 4.669 5.503 1.00 1.89 H new ATOM 0 HA LYS A2098 10.078 4.247 3.151 1.00 2.37 H new ATOM 0 HB2 LYS A2098 9.762 6.719 2.912 1.00 3.03 H new ATOM 0 HB3 LYS A2098 8.264 5.823 3.066 1.00 3.03 H new ATOM 0 HG2 LYS A2098 7.874 7.639 4.457 1.00 3.48 H new ATOM 0 HG3 LYS A2098 8.414 6.428 5.603 1.00 3.48 H new ATOM 0 HD2 LYS A2098 10.697 7.369 5.568 1.00 4.03 H new ATOM 0 HD3 LYS A2098 10.219 8.538 4.352 1.00 4.03 H new ATOM 0 HE2 LYS A2098 8.513 9.452 5.964 1.00 4.43 H new ATOM 0 HE3 LYS A2098 9.109 8.340 7.180 1.00 4.43 H new ATOM 0 HZ1 LYS A2098 10.028 10.726 7.096 1.00 4.81 H new ATOM 0 HZ2 LYS A2098 11.113 9.444 7.346 1.00 4.81 H new ATOM 0 HZ3 LYS A2098 10.986 10.163 5.813 1.00 4.81 H new ATOM 671 N GLN A2099 11.659 4.884 5.738 1.00 2.03 N ATOM 672 CA GLN A2099 12.985 5.116 6.294 1.00 2.09 C ATOM 673 C GLN A2099 13.937 3.990 5.896 1.00 1.67 C ATOM 674 O GLN A2099 15.124 4.006 6.237 1.00 1.81 O ATOM 675 CB GLN A2099 12.907 5.231 7.818 1.00 2.41 C ATOM 676 CG GLN A2099 12.363 3.983 8.495 1.00 2.99 C ATOM 677 CD GLN A2099 12.288 4.121 10.001 1.00 3.86 C ATOM 678 OE1 GLN A2099 11.270 4.540 10.551 1.00 4.40 O ATOM 679 NE2 GLN A2099 13.367 3.766 10.679 1.00 4.42 N ATOM 0 H GLN A2099 11.012 4.417 6.373 1.00 2.03 H new ATOM 0 HA GLN A2099 13.370 6.053 5.891 1.00 2.09 H new ATOM 0 HB2 GLN A2099 13.902 5.442 8.210 1.00 2.41 H new ATOM 0 HB3 GLN A2099 12.275 6.080 8.078 1.00 2.41 H new ATOM 0 HG2 GLN A2099 11.369 3.767 8.104 1.00 2.99 H new ATOM 0 HG3 GLN A2099 12.997 3.133 8.243 1.00 2.99 H new ATOM 0 HE21 GLN A2099 14.191 3.423 10.184 1.00 4.42 H new ATOM 0 HE22 GLN A2099 13.375 3.835 11.697 1.00 4.42 H new ATOM 688 N PHE A2100 13.405 3.010 5.177 1.00 1.40 N ATOM 689 CA PHE A2100 14.193 1.873 4.725 1.00 1.20 C ATOM 690 C PHE A2100 14.935 2.219 3.441 1.00 1.31 C ATOM 691 O PHE A2100 14.456 1.957 2.337 1.00 1.72 O ATOM 692 CB PHE A2100 13.285 0.661 4.505 1.00 1.32 C ATOM 693 CG PHE A2100 14.016 -0.592 4.113 1.00 1.46 C ATOM 694 CD1 PHE A2100 13.861 -1.132 2.846 1.00 1.93 C ATOM 695 CD2 PHE A2100 14.854 -1.231 5.011 1.00 2.04 C ATOM 696 CE1 PHE A2100 14.528 -2.286 2.483 1.00 2.23 C ATOM 697 CE2 PHE A2100 15.524 -2.385 4.654 1.00 2.36 C ATOM 698 CZ PHE A2100 15.360 -2.912 3.388 1.00 2.18 C ATOM 0 H PHE A2100 12.426 2.981 4.894 1.00 1.40 H new ATOM 0 HA PHE A2100 14.927 1.627 5.492 1.00 1.20 H new ATOM 0 HB2 PHE A2100 12.724 0.470 5.420 1.00 1.32 H new ATOM 0 HB3 PHE A2100 12.558 0.902 3.730 1.00 1.32 H new ATOM 0 HD1 PHE A2100 13.211 -0.645 2.134 1.00 1.93 H new ATOM 0 HD2 PHE A2100 14.985 -0.822 6.002 1.00 2.04 H new ATOM 0 HE1 PHE A2100 14.398 -2.697 1.493 1.00 2.23 H new ATOM 0 HE2 PHE A2100 16.175 -2.874 5.364 1.00 2.36 H new ATOM 0 HZ PHE A2100 15.883 -3.814 3.107 1.00 2.18 H new ATOM 708 N VAL A2101 16.101 2.822 3.587 1.00 1.55 N ATOM 709 CA VAL A2101 16.913 3.180 2.440 1.00 1.92 C ATOM 710 C VAL A2101 17.897 2.062 2.123 1.00 2.31 C ATOM 711 O VAL A2101 18.938 1.931 2.768 1.00 2.68 O ATOM 712 CB VAL A2101 17.683 4.494 2.678 1.00 2.35 C ATOM 713 CG1 VAL A2101 18.397 4.935 1.410 1.00 2.67 C ATOM 714 CG2 VAL A2101 16.746 5.583 3.172 1.00 2.45 C ATOM 0 H VAL A2101 16.506 3.074 4.489 1.00 1.55 H new ATOM 0 HA VAL A2101 16.241 3.328 1.595 1.00 1.92 H new ATOM 0 HB VAL A2101 18.434 4.315 3.448 1.00 2.35 H new ATOM 0 HG11 VAL A2101 18.934 5.864 1.599 1.00 2.67 H new ATOM 0 HG12 VAL A2101 19.103 4.164 1.103 1.00 2.67 H new ATOM 0 HG13 VAL A2101 17.666 5.094 0.617 1.00 2.67 H new ATOM 0 HG21 VAL A2101 17.309 6.502 3.334 1.00 2.45 H new ATOM 0 HG22 VAL A2101 15.969 5.760 2.428 1.00 2.45 H new ATOM 0 HG23 VAL A2101 16.286 5.270 4.109 1.00 2.45 H new ATOM 724 N GLY A2102 17.553 1.251 1.138 1.00 2.55 N ATOM 725 CA GLY A2102 18.409 0.154 0.738 1.00 3.15 C ATOM 726 C GLY A2102 17.939 -0.469 -0.554 1.00 3.22 C ATOM 727 O GLY A2102 18.168 0.079 -1.632 1.00 3.84 O ATOM 0 H GLY A2102 16.688 1.333 0.603 1.00 2.55 H new ATOM 0 HA2 GLY A2102 19.431 0.513 0.620 1.00 3.15 H new ATOM 0 HA3 GLY A2102 18.425 -0.602 1.523 1.00 3.15 H new ATOM 731 N LYS A2103 17.275 -1.610 -0.451 1.00 2.91 N ATOM 732 CA LYS A2103 16.667 -2.248 -1.612 1.00 3.06 C ATOM 733 C LYS A2103 15.226 -2.645 -1.313 1.00 2.39 C ATOM 734 O LYS A2103 14.927 -3.824 -1.124 1.00 2.33 O ATOM 735 CB LYS A2103 17.455 -3.486 -2.047 1.00 3.80 C ATOM 736 CG LYS A2103 18.857 -3.187 -2.547 1.00 4.59 C ATOM 737 CD LYS A2103 19.489 -4.415 -3.183 1.00 5.33 C ATOM 738 CE LYS A2103 19.608 -5.564 -2.195 1.00 6.21 C ATOM 739 NZ LYS A2103 20.179 -6.778 -2.831 1.00 6.78 N ATOM 0 H LYS A2103 17.142 -2.115 0.425 1.00 2.91 H new ATOM 0 HA LYS A2103 16.682 -1.523 -2.426 1.00 3.06 H new ATOM 0 HB2 LYS A2103 17.521 -4.175 -1.205 1.00 3.80 H new ATOM 0 HB3 LYS A2103 16.902 -3.997 -2.835 1.00 3.80 H new ATOM 0 HG2 LYS A2103 18.821 -2.376 -3.274 1.00 4.59 H new ATOM 0 HG3 LYS A2103 19.476 -2.845 -1.718 1.00 4.59 H new ATOM 0 HD2 LYS A2103 18.890 -4.731 -4.037 1.00 5.33 H new ATOM 0 HD3 LYS A2103 20.478 -4.159 -3.564 1.00 5.33 H new ATOM 0 HE2 LYS A2103 20.238 -5.261 -1.359 1.00 6.21 H new ATOM 0 HE3 LYS A2103 18.625 -5.796 -1.786 1.00 6.21 H new ATOM 0 HZ1 LYS A2103 20.245 -7.540 -2.127 1.00 6.78 H new ATOM 0 HZ2 LYS A2103 19.565 -7.082 -3.613 1.00 6.78 H new ATOM 0 HZ3 LYS A2103 21.128 -6.564 -3.199 1.00 6.78 H new ATOM 753 N PRO A2104 14.316 -1.665 -1.246 1.00 2.06 N ATOM 754 CA PRO A2104 12.895 -1.930 -1.037 1.00 1.50 C ATOM 755 C PRO A2104 12.290 -2.670 -2.222 1.00 1.35 C ATOM 756 O PRO A2104 12.446 -2.249 -3.370 1.00 1.62 O ATOM 757 CB PRO A2104 12.268 -0.538 -0.906 1.00 1.62 C ATOM 758 CG PRO A2104 13.411 0.390 -0.682 1.00 2.21 C ATOM 759 CD PRO A2104 14.588 -0.229 -1.368 1.00 2.43 C ATOM 0 HA PRO A2104 12.721 -2.560 -0.165 1.00 1.50 H new ATOM 0 HB2 PRO A2104 11.715 -0.270 -1.806 1.00 1.62 H new ATOM 0 HB3 PRO A2104 11.563 -0.501 -0.075 1.00 1.62 H new ATOM 0 HG2 PRO A2104 13.197 1.378 -1.090 1.00 2.21 H new ATOM 0 HG3 PRO A2104 13.604 0.520 0.383 1.00 2.21 H new ATOM 0 HD2 PRO A2104 14.659 0.082 -2.410 1.00 2.43 H new ATOM 0 HD3 PRO A2104 15.527 0.047 -0.888 1.00 2.43 H new ATOM 767 N ASP A2105 11.620 -3.778 -1.935 1.00 1.04 N ATOM 768 CA ASP A2105 10.996 -4.589 -2.973 1.00 0.98 C ATOM 769 C ASP A2105 9.946 -3.781 -3.729 1.00 0.79 C ATOM 770 O ASP A2105 9.023 -3.231 -3.119 1.00 0.78 O ATOM 771 CB ASP A2105 10.357 -5.833 -2.355 1.00 1.06 C ATOM 772 CG ASP A2105 9.703 -6.731 -3.385 1.00 1.66 C ATOM 773 OD1 ASP A2105 8.471 -6.929 -3.311 1.00 2.16 O ATOM 774 OD2 ASP A2105 10.416 -7.254 -4.267 1.00 2.33 O ATOM 0 H ASP A2105 11.494 -4.137 -0.989 1.00 1.04 H new ATOM 0 HA ASP A2105 11.767 -4.899 -3.679 1.00 0.98 H new ATOM 0 HB2 ASP A2105 11.119 -6.398 -1.818 1.00 1.06 H new ATOM 0 HB3 ASP A2105 9.611 -5.526 -1.621 1.00 1.06 H new ATOM 779 N PRO A2106 10.099 -3.675 -5.062 1.00 0.77 N ATOM 780 CA PRO A2106 9.159 -2.946 -5.921 1.00 0.73 C ATOM 781 C PRO A2106 7.745 -3.504 -5.829 1.00 0.61 C ATOM 782 O PRO A2106 7.506 -4.677 -6.124 1.00 0.74 O ATOM 783 CB PRO A2106 9.717 -3.145 -7.333 1.00 0.87 C ATOM 784 CG PRO A2106 11.149 -3.500 -7.135 1.00 1.03 C ATOM 785 CD PRO A2106 11.209 -4.252 -5.838 1.00 0.93 C ATOM 0 HA PRO A2106 9.078 -1.899 -5.630 1.00 0.73 H new ATOM 0 HB2 PRO A2106 9.184 -3.936 -7.860 1.00 0.87 H new ATOM 0 HB3 PRO A2106 9.614 -2.239 -7.929 1.00 0.87 H new ATOM 0 HG2 PRO A2106 11.518 -4.111 -7.959 1.00 1.03 H new ATOM 0 HG3 PRO A2106 11.772 -2.606 -7.098 1.00 1.03 H new ATOM 0 HD2 PRO A2106 11.081 -5.324 -5.988 1.00 0.93 H new ATOM 0 HD3 PRO A2106 12.166 -4.113 -5.336 1.00 0.93 H new ATOM 793 N VAL A2107 6.816 -2.659 -5.418 1.00 0.48 N ATOM 794 CA VAL A2107 5.440 -3.069 -5.232 1.00 0.37 C ATOM 795 C VAL A2107 4.522 -1.852 -5.327 1.00 0.35 C ATOM 796 O VAL A2107 4.979 -0.714 -5.227 1.00 0.60 O ATOM 797 CB VAL A2107 5.252 -3.771 -3.868 1.00 0.41 C ATOM 798 CG1 VAL A2107 5.217 -2.757 -2.745 1.00 0.54 C ATOM 799 CG2 VAL A2107 4.000 -4.625 -3.854 1.00 0.46 C ATOM 0 H VAL A2107 6.994 -1.677 -5.206 1.00 0.48 H new ATOM 0 HA VAL A2107 5.181 -3.779 -6.017 1.00 0.37 H new ATOM 0 HB VAL A2107 6.107 -4.430 -3.714 1.00 0.41 H new ATOM 0 HG11 VAL A2107 5.084 -3.272 -1.794 1.00 0.54 H new ATOM 0 HG12 VAL A2107 6.154 -2.200 -2.728 1.00 0.54 H new ATOM 0 HG13 VAL A2107 4.388 -2.067 -2.903 1.00 0.54 H new ATOM 0 HG21 VAL A2107 3.898 -5.105 -2.881 1.00 0.46 H new ATOM 0 HG22 VAL A2107 3.129 -3.997 -4.043 1.00 0.46 H new ATOM 0 HG23 VAL A2107 4.072 -5.388 -4.629 1.00 0.46 H new ATOM 809 N THR A2108 3.248 -2.087 -5.554 1.00 0.32 N ATOM 810 CA THR A2108 2.271 -1.016 -5.593 1.00 0.30 C ATOM 811 C THR A2108 0.978 -1.464 -4.928 1.00 0.30 C ATOM 812 O THR A2108 0.360 -2.442 -5.343 1.00 0.33 O ATOM 813 CB THR A2108 1.994 -0.556 -7.039 1.00 0.33 C ATOM 814 OG1 THR A2108 3.224 -0.155 -7.661 1.00 0.37 O ATOM 815 CG2 THR A2108 1.010 0.606 -7.064 1.00 0.35 C ATOM 0 H THR A2108 2.861 -3.017 -5.716 1.00 0.32 H new ATOM 0 HA THR A2108 2.682 -0.167 -5.046 1.00 0.30 H new ATOM 0 HB THR A2108 1.556 -1.391 -7.586 1.00 0.33 H new ATOM 0 HG1 THR A2108 3.046 0.135 -8.580 1.00 0.37 H new ATOM 0 HG21 THR A2108 0.833 0.910 -8.095 1.00 0.35 H new ATOM 0 HG22 THR A2108 0.069 0.296 -6.610 1.00 0.35 H new ATOM 0 HG23 THR A2108 1.423 1.445 -6.504 1.00 0.35 H new ATOM 823 N VAL A2109 0.588 -0.763 -3.879 1.00 0.38 N ATOM 824 CA VAL A2109 -0.632 -1.088 -3.154 1.00 0.46 C ATOM 825 C VAL A2109 -1.785 -0.274 -3.731 1.00 0.52 C ATOM 826 O VAL A2109 -1.571 0.858 -4.150 1.00 0.61 O ATOM 827 CB VAL A2109 -0.479 -0.780 -1.651 1.00 0.60 C ATOM 828 CG1 VAL A2109 -1.493 -1.561 -0.838 1.00 0.76 C ATOM 829 CG2 VAL A2109 0.937 -1.077 -1.180 1.00 0.61 C ATOM 0 H VAL A2109 1.099 0.038 -3.507 1.00 0.38 H new ATOM 0 HA VAL A2109 -0.834 -2.154 -3.264 1.00 0.46 H new ATOM 0 HB VAL A2109 -0.669 0.283 -1.500 1.00 0.60 H new ATOM 0 HG11 VAL A2109 -1.368 -1.329 0.220 1.00 0.76 H new ATOM 0 HG12 VAL A2109 -2.500 -1.287 -1.153 1.00 0.76 H new ATOM 0 HG13 VAL A2109 -1.341 -2.629 -0.996 1.00 0.76 H new ATOM 0 HG21 VAL A2109 1.021 -0.852 -0.117 1.00 0.61 H new ATOM 0 HG22 VAL A2109 1.163 -2.130 -1.347 1.00 0.61 H new ATOM 0 HG23 VAL A2109 1.643 -0.462 -1.738 1.00 0.61 H new ATOM 839 N LYS A2110 -2.994 -0.835 -3.773 1.00 0.53 N ATOM 840 CA LYS A2110 -4.109 -0.151 -4.415 1.00 0.63 C ATOM 841 C LYS A2110 -5.437 -0.478 -3.723 1.00 0.70 C ATOM 842 O LYS A2110 -5.642 -1.586 -3.237 1.00 0.99 O ATOM 843 CB LYS A2110 -4.146 -0.553 -5.907 1.00 0.67 C ATOM 844 CG LYS A2110 -5.092 0.269 -6.784 1.00 0.85 C ATOM 845 CD LYS A2110 -6.546 -0.186 -6.695 1.00 1.03 C ATOM 846 CE LYS A2110 -6.859 -1.375 -7.601 1.00 1.11 C ATOM 847 NZ LYS A2110 -6.130 -2.615 -7.220 1.00 1.63 N ATOM 0 H LYS A2110 -3.221 -1.747 -3.376 1.00 0.53 H new ATOM 0 HA LYS A2110 -3.966 0.926 -4.331 1.00 0.63 H new ATOM 0 HB2 LYS A2110 -3.138 -0.471 -6.313 1.00 0.67 H new ATOM 0 HB3 LYS A2110 -4.433 -1.602 -5.976 1.00 0.67 H new ATOM 0 HG2 LYS A2110 -5.028 1.317 -6.492 1.00 0.85 H new ATOM 0 HG3 LYS A2110 -4.762 0.206 -7.821 1.00 0.85 H new ATOM 0 HD2 LYS A2110 -6.774 -0.453 -5.663 1.00 1.03 H new ATOM 0 HD3 LYS A2110 -7.198 0.646 -6.960 1.00 1.03 H new ATOM 0 HE2 LYS A2110 -7.931 -1.570 -7.575 1.00 1.11 H new ATOM 0 HE3 LYS A2110 -6.607 -1.115 -8.629 1.00 1.11 H new ATOM 0 HZ1 LYS A2110 -6.692 -3.446 -7.494 1.00 1.63 H new ATOM 0 HZ2 LYS A2110 -5.212 -2.642 -7.708 1.00 1.63 H new ATOM 0 HZ3 LYS A2110 -5.976 -2.625 -6.191 1.00 1.63 H new ATOM 861 N ARG A2111 -6.310 0.515 -3.644 1.00 0.52 N ATOM 862 CA ARG A2111 -7.709 0.302 -3.289 1.00 0.54 C ATOM 863 C ARG A2111 -8.487 1.565 -3.602 1.00 0.44 C ATOM 864 O ARG A2111 -7.951 2.665 -3.496 1.00 0.47 O ATOM 865 CB ARG A2111 -7.890 -0.100 -1.816 1.00 0.62 C ATOM 866 CG ARG A2111 -7.506 0.961 -0.803 1.00 0.62 C ATOM 867 CD ARG A2111 -7.840 0.508 0.611 1.00 0.87 C ATOM 868 NE ARG A2111 -7.517 1.522 1.615 1.00 1.86 N ATOM 869 CZ ARG A2111 -8.121 1.621 2.803 1.00 2.47 C ATOM 870 NH1 ARG A2111 -9.101 0.783 3.133 1.00 2.41 N ATOM 871 NH2 ARG A2111 -7.749 2.565 3.657 1.00 3.47 N ATOM 0 H ARG A2111 -6.071 1.490 -3.823 1.00 0.52 H new ATOM 0 HA ARG A2111 -8.090 -0.531 -3.879 1.00 0.54 H new ATOM 0 HB2 ARG A2111 -8.934 -0.371 -1.656 1.00 0.62 H new ATOM 0 HB3 ARG A2111 -7.296 -0.994 -1.625 1.00 0.62 H new ATOM 0 HG2 ARG A2111 -6.439 1.173 -0.879 1.00 0.62 H new ATOM 0 HG3 ARG A2111 -8.032 1.889 -1.026 1.00 0.62 H new ATOM 0 HD2 ARG A2111 -8.901 0.267 0.671 1.00 0.87 H new ATOM 0 HD3 ARG A2111 -7.292 -0.408 0.835 1.00 0.87 H new ATOM 0 HE ARG A2111 -6.784 2.196 1.394 1.00 1.86 H new ATOM 0 HH11 ARG A2111 -9.396 0.059 2.477 1.00 2.41 H new ATOM 0 HH12 ARG A2111 -9.557 0.865 4.042 1.00 2.41 H new ATOM 0 HH21 ARG A2111 -7.003 3.214 3.407 1.00 3.47 H new ATOM 0 HH22 ARG A2111 -8.209 2.642 4.564 1.00 3.47 H new ATOM 885 N VAL A2112 -9.734 1.416 -4.013 1.00 0.35 N ATOM 886 CA VAL A2112 -10.517 2.572 -4.430 1.00 0.28 C ATOM 887 C VAL A2112 -11.442 3.046 -3.314 1.00 0.25 C ATOM 888 O VAL A2112 -11.875 2.260 -2.475 1.00 0.29 O ATOM 889 CB VAL A2112 -11.339 2.269 -5.702 1.00 0.31 C ATOM 890 CG1 VAL A2112 -10.415 1.962 -6.869 1.00 0.40 C ATOM 891 CG2 VAL A2112 -12.310 1.120 -5.474 1.00 0.32 C ATOM 0 H VAL A2112 -10.223 0.522 -4.068 1.00 0.35 H new ATOM 0 HA VAL A2112 -9.810 3.370 -4.658 1.00 0.28 H new ATOM 0 HB VAL A2112 -11.925 3.157 -5.942 1.00 0.31 H new ATOM 0 HG11 VAL A2112 -11.009 1.751 -7.758 1.00 0.40 H new ATOM 0 HG12 VAL A2112 -9.771 2.821 -7.059 1.00 0.40 H new ATOM 0 HG13 VAL A2112 -9.801 1.094 -6.628 1.00 0.40 H new ATOM 0 HG21 VAL A2112 -12.873 0.932 -6.388 1.00 0.32 H new ATOM 0 HG22 VAL A2112 -11.755 0.223 -5.199 1.00 0.32 H new ATOM 0 HG23 VAL A2112 -12.999 1.380 -4.671 1.00 0.32 H new ATOM 901 N ASP A2113 -11.704 4.347 -3.290 1.00 0.26 N ATOM 902 CA ASP A2113 -12.601 4.930 -2.296 1.00 0.31 C ATOM 903 C ASP A2113 -14.029 4.942 -2.827 1.00 0.33 C ATOM 904 O ASP A2113 -14.315 4.331 -3.859 1.00 0.34 O ATOM 905 CB ASP A2113 -12.171 6.360 -1.939 1.00 0.40 C ATOM 906 CG ASP A2113 -12.601 7.378 -2.979 1.00 0.55 C ATOM 907 OD1 ASP A2113 -12.085 7.341 -4.101 1.00 0.85 O ATOM 908 OD2 ASP A2113 -13.474 8.214 -2.678 1.00 1.46 O ATOM 0 H ASP A2113 -11.309 5.020 -3.947 1.00 0.26 H new ATOM 0 HA ASP A2113 -12.552 4.319 -1.395 1.00 0.31 H new ATOM 0 HB2 ASP A2113 -12.596 6.632 -0.973 1.00 0.40 H new ATOM 0 HB3 ASP A2113 -11.087 6.393 -1.831 1.00 0.40 H new ATOM 913 N LYS A2114 -14.920 5.636 -2.130 1.00 0.40 N ATOM 914 CA LYS A2114 -16.308 5.740 -2.556 1.00 0.46 C ATOM 915 C LYS A2114 -16.410 6.383 -3.938 1.00 0.52 C ATOM 916 O LYS A2114 -17.221 5.964 -4.765 1.00 0.65 O ATOM 917 CB LYS A2114 -17.123 6.534 -1.534 1.00 0.55 C ATOM 918 CG LYS A2114 -17.175 5.871 -0.168 1.00 0.58 C ATOM 919 CD LYS A2114 -18.099 6.604 0.788 1.00 0.69 C ATOM 920 CE LYS A2114 -18.190 5.871 2.116 1.00 0.83 C ATOM 921 NZ LYS A2114 -19.186 6.486 3.030 1.00 1.72 N ATOM 0 H LYS A2114 -14.705 6.135 -1.267 1.00 0.40 H new ATOM 0 HA LYS A2114 -16.719 4.732 -2.621 1.00 0.46 H new ATOM 0 HB2 LYS A2114 -16.694 7.531 -1.431 1.00 0.55 H new ATOM 0 HB3 LYS A2114 -18.139 6.661 -1.908 1.00 0.55 H new ATOM 0 HG2 LYS A2114 -17.512 4.840 -0.278 1.00 0.58 H new ATOM 0 HG3 LYS A2114 -16.171 5.835 0.255 1.00 0.58 H new ATOM 0 HD2 LYS A2114 -17.732 7.617 0.951 1.00 0.69 H new ATOM 0 HD3 LYS A2114 -19.092 6.692 0.347 1.00 0.69 H new ATOM 0 HE2 LYS A2114 -18.458 4.830 1.937 1.00 0.83 H new ATOM 0 HE3 LYS A2114 -17.211 5.870 2.596 1.00 0.83 H new ATOM 0 HZ1 LYS A2114 -19.214 5.953 3.923 1.00 1.72 H new ATOM 0 HZ2 LYS A2114 -18.917 7.472 3.224 1.00 1.72 H new ATOM 0 HZ3 LYS A2114 -20.126 6.464 2.585 1.00 1.72 H new ATOM 935 N ASN A2115 -15.570 7.383 -4.194 1.00 0.52 N ATOM 936 CA ASN A2115 -15.547 8.041 -5.499 1.00 0.60 C ATOM 937 C ASN A2115 -14.940 7.126 -6.558 1.00 0.54 C ATOM 938 O ASN A2115 -15.300 7.195 -7.733 1.00 0.70 O ATOM 939 CB ASN A2115 -14.757 9.351 -5.441 1.00 0.72 C ATOM 940 CG ASN A2115 -15.425 10.401 -4.577 1.00 0.99 C ATOM 941 OD1 ASN A2115 -16.222 11.204 -5.059 1.00 1.84 O ATOM 942 ND2 ASN A2115 -15.103 10.403 -3.297 1.00 1.11 N ATOM 0 H ASN A2115 -14.900 7.754 -3.520 1.00 0.52 H new ATOM 0 HA ASN A2115 -16.579 8.264 -5.771 1.00 0.60 H new ATOM 0 HB2 ASN A2115 -13.758 9.151 -5.054 1.00 0.72 H new ATOM 0 HB3 ASN A2115 -14.635 9.742 -6.451 1.00 0.72 H new ATOM 0 HD21 ASN A2115 -15.520 11.088 -2.667 1.00 1.11 H new ATOM 0 HD22 ASN A2115 -14.437 9.719 -2.938 1.00 1.11 H new ATOM 949 N GLY A2116 -14.025 6.267 -6.134 1.00 0.38 N ATOM 950 CA GLY A2116 -13.398 5.336 -7.051 1.00 0.39 C ATOM 951 C GLY A2116 -11.941 5.665 -7.293 1.00 0.38 C ATOM 952 O GLY A2116 -11.318 5.128 -8.208 1.00 0.44 O ATOM 0 H GLY A2116 -13.704 6.198 -5.168 1.00 0.38 H new ATOM 0 HA2 GLY A2116 -13.479 4.325 -6.651 1.00 0.39 H new ATOM 0 HA3 GLY A2116 -13.934 5.347 -8.000 1.00 0.39 H new ATOM 956 N THR A2117 -11.397 6.541 -6.468 1.00 0.36 N ATOM 957 CA THR A2117 -10.012 6.954 -6.582 1.00 0.38 C ATOM 958 C THR A2117 -9.097 5.900 -5.964 1.00 0.33 C ATOM 959 O THR A2117 -9.244 5.555 -4.790 1.00 0.33 O ATOM 960 CB THR A2117 -9.789 8.301 -5.868 1.00 0.44 C ATOM 961 OG1 THR A2117 -10.860 9.201 -6.185 1.00 0.57 O ATOM 962 CG2 THR A2117 -8.463 8.923 -6.276 1.00 0.54 C ATOM 0 H THR A2117 -11.903 6.985 -5.702 1.00 0.36 H new ATOM 0 HA THR A2117 -9.776 7.067 -7.640 1.00 0.38 H new ATOM 0 HB THR A2117 -9.767 8.118 -4.794 1.00 0.44 H new ATOM 0 HG1 THR A2117 -11.652 8.965 -5.658 1.00 0.57 H new ATOM 0 HG21 THR A2117 -8.332 9.873 -5.757 1.00 0.54 H new ATOM 0 HG22 THR A2117 -7.648 8.249 -6.011 1.00 0.54 H new ATOM 0 HG23 THR A2117 -8.457 9.094 -7.352 1.00 0.54 H new ATOM 970 N PRO A2118 -8.163 5.348 -6.747 1.00 0.38 N ATOM 971 CA PRO A2118 -7.221 4.351 -6.252 1.00 0.40 C ATOM 972 C PRO A2118 -6.143 4.966 -5.363 1.00 0.35 C ATOM 973 O PRO A2118 -5.218 5.614 -5.854 1.00 0.39 O ATOM 974 CB PRO A2118 -6.587 3.768 -7.526 1.00 0.53 C ATOM 975 CG PRO A2118 -7.347 4.350 -8.673 1.00 0.61 C ATOM 976 CD PRO A2118 -7.953 5.628 -8.172 1.00 0.51 C ATOM 0 HA PRO A2118 -7.720 3.604 -5.634 1.00 0.40 H new ATOM 0 HB2 PRO A2118 -5.530 4.026 -7.588 1.00 0.53 H new ATOM 0 HB3 PRO A2118 -6.650 2.680 -7.529 1.00 0.53 H new ATOM 0 HG2 PRO A2118 -6.688 4.538 -9.520 1.00 0.61 H new ATOM 0 HG3 PRO A2118 -8.119 3.662 -9.017 1.00 0.61 H new ATOM 0 HD2 PRO A2118 -7.288 6.478 -8.324 1.00 0.51 H new ATOM 0 HD3 PRO A2118 -8.888 5.860 -8.681 1.00 0.51 H new ATOM 984 N VAL A2119 -6.270 4.779 -4.055 1.00 0.33 N ATOM 985 CA VAL A2119 -5.209 5.164 -3.140 1.00 0.33 C ATOM 986 C VAL A2119 -4.092 4.143 -3.246 1.00 0.36 C ATOM 987 O VAL A2119 -4.288 2.948 -3.012 1.00 0.39 O ATOM 988 CB VAL A2119 -5.697 5.308 -1.676 1.00 0.39 C ATOM 989 CG1 VAL A2119 -6.703 6.438 -1.567 1.00 0.52 C ATOM 990 CG2 VAL A2119 -6.303 4.022 -1.152 1.00 0.60 C ATOM 0 H VAL A2119 -7.090 4.367 -3.610 1.00 0.33 H new ATOM 0 HA VAL A2119 -4.848 6.152 -3.426 1.00 0.33 H new ATOM 0 HB VAL A2119 -4.826 5.537 -1.063 1.00 0.39 H new ATOM 0 HG11 VAL A2119 -7.038 6.529 -0.534 1.00 0.52 H new ATOM 0 HG12 VAL A2119 -6.237 7.372 -1.880 1.00 0.52 H new ATOM 0 HG13 VAL A2119 -7.559 6.227 -2.208 1.00 0.52 H new ATOM 0 HG21 VAL A2119 -6.632 4.168 -0.123 1.00 0.60 H new ATOM 0 HG22 VAL A2119 -7.157 3.744 -1.770 1.00 0.60 H new ATOM 0 HG23 VAL A2119 -5.557 3.228 -1.186 1.00 0.60 H new ATOM 1000 N THR A2120 -2.935 4.609 -3.669 1.00 0.39 N ATOM 1001 CA THR A2120 -1.850 3.717 -3.998 1.00 0.44 C ATOM 1002 C THR A2120 -0.559 4.128 -3.318 1.00 0.53 C ATOM 1003 O THR A2120 -0.429 5.250 -2.827 1.00 0.67 O ATOM 1004 CB THR A2120 -1.616 3.672 -5.524 1.00 0.52 C ATOM 1005 OG1 THR A2120 -1.395 4.995 -6.029 1.00 0.61 O ATOM 1006 CG2 THR A2120 -2.799 3.047 -6.246 1.00 0.55 C ATOM 0 H THR A2120 -2.725 5.600 -3.792 1.00 0.39 H new ATOM 0 HA THR A2120 -2.138 2.729 -3.640 1.00 0.44 H new ATOM 0 HB THR A2120 -0.735 3.057 -5.707 1.00 0.52 H new ATOM 0 HG1 THR A2120 -1.246 4.955 -6.997 1.00 0.61 H new ATOM 0 HG21 THR A2120 -2.603 3.030 -7.318 1.00 0.55 H new ATOM 0 HG22 THR A2120 -2.947 2.028 -5.888 1.00 0.55 H new ATOM 0 HG23 THR A2120 -3.696 3.634 -6.050 1.00 0.55 H new ATOM 1014 N ALA A2121 0.378 3.203 -3.281 1.00 0.53 N ATOM 1015 CA ALA A2121 1.729 3.499 -2.863 1.00 0.65 C ATOM 1016 C ALA A2121 2.688 2.926 -3.890 1.00 0.73 C ATOM 1017 O ALA A2121 2.611 1.742 -4.222 1.00 0.69 O ATOM 1018 CB ALA A2121 2.004 2.919 -1.483 1.00 0.70 C ATOM 0 H ALA A2121 0.223 2.228 -3.539 1.00 0.53 H new ATOM 0 HA ALA A2121 1.866 4.578 -2.796 1.00 0.65 H new ATOM 0 HB1 ALA A2121 3.027 3.153 -1.187 1.00 0.70 H new ATOM 0 HB2 ALA A2121 1.310 3.351 -0.762 1.00 0.70 H new ATOM 0 HB3 ALA A2121 1.873 1.837 -1.510 1.00 0.70 H new ATOM 1024 N THR A2122 3.580 3.758 -4.394 1.00 0.98 N ATOM 1025 CA THR A2122 4.505 3.338 -5.431 1.00 1.15 C ATOM 1026 C THR A2122 5.863 3.021 -4.830 1.00 0.99 C ATOM 1027 O THR A2122 6.648 3.917 -4.531 1.00 1.22 O ATOM 1028 CB THR A2122 4.653 4.423 -6.511 1.00 1.63 C ATOM 1029 OG1 THR A2122 3.352 4.852 -6.941 1.00 2.19 O ATOM 1030 CG2 THR A2122 5.434 3.899 -7.708 1.00 2.08 C ATOM 0 H THR A2122 3.684 4.730 -4.102 1.00 0.98 H new ATOM 0 HA THR A2122 4.101 2.439 -5.897 1.00 1.15 H new ATOM 0 HB THR A2122 5.200 5.263 -6.082 1.00 1.63 H new ATOM 0 HG1 THR A2122 3.446 5.545 -7.628 1.00 2.19 H new ATOM 0 HG21 THR A2122 5.524 4.686 -8.457 1.00 2.08 H new ATOM 0 HG22 THR A2122 6.428 3.589 -7.386 1.00 2.08 H new ATOM 0 HG23 THR A2122 4.910 3.046 -8.139 1.00 2.08 H new ATOM 1038 N TYR A2123 6.130 1.744 -4.639 1.00 0.85 N ATOM 1039 CA TYR A2123 7.368 1.319 -4.022 1.00 0.77 C ATOM 1040 C TYR A2123 8.393 0.933 -5.074 1.00 0.94 C ATOM 1041 O TYR A2123 8.207 -0.030 -5.819 1.00 1.20 O ATOM 1042 CB TYR A2123 7.108 0.158 -3.069 1.00 0.83 C ATOM 1043 CG TYR A2123 7.439 0.494 -1.639 1.00 1.21 C ATOM 1044 CD1 TYR A2123 8.756 0.548 -1.210 1.00 1.93 C ATOM 1045 CD2 TYR A2123 6.436 0.763 -0.721 1.00 1.82 C ATOM 1046 CE1 TYR A2123 9.065 0.860 0.096 1.00 2.36 C ATOM 1047 CE2 TYR A2123 6.735 1.076 0.589 1.00 2.26 C ATOM 1048 CZ TYR A2123 8.053 1.123 0.994 1.00 2.25 C ATOM 1049 OH TYR A2123 8.360 1.427 2.299 1.00 2.81 O ATOM 0 H TYR A2123 5.504 0.983 -4.903 1.00 0.85 H new ATOM 0 HA TYR A2123 7.774 2.154 -3.451 1.00 0.77 H new ATOM 0 HB2 TYR A2123 6.060 -0.134 -3.136 1.00 0.83 H new ATOM 0 HB3 TYR A2123 7.699 -0.703 -3.382 1.00 0.83 H new ATOM 0 HD1 TYR A2123 9.552 0.342 -1.910 1.00 1.93 H new ATOM 0 HD2 TYR A2123 5.404 0.727 -1.036 1.00 1.82 H new ATOM 0 HE1 TYR A2123 10.096 0.898 0.415 1.00 2.36 H new ATOM 0 HE2 TYR A2123 5.942 1.283 1.293 1.00 2.26 H new ATOM 0 HH TYR A2123 8.274 0.622 2.851 1.00 2.81 H new ATOM 1059 N SER A2124 9.463 1.704 -5.136 1.00 1.07 N ATOM 1060 CA SER A2124 10.542 1.458 -6.073 1.00 1.29 C ATOM 1061 C SER A2124 11.874 1.407 -5.322 1.00 1.24 C ATOM 1062 O SER A2124 11.960 1.925 -4.207 1.00 1.31 O ATOM 1063 CB SER A2124 10.561 2.562 -7.137 1.00 1.66 C ATOM 1064 OG SER A2124 9.284 2.704 -7.742 1.00 2.06 O ATOM 0 H SER A2124 9.608 2.518 -4.538 1.00 1.07 H new ATOM 0 HA SER A2124 10.387 0.500 -6.569 1.00 1.29 H new ATOM 0 HB2 SER A2124 10.859 3.506 -6.682 1.00 1.66 H new ATOM 0 HB3 SER A2124 11.305 2.326 -7.898 1.00 1.66 H new ATOM 0 HG SER A2124 9.319 3.415 -8.416 1.00 2.06 H new ATOM 1070 N PRO A2125 12.913 0.775 -5.898 1.00 1.46 N ATOM 1071 CA PRO A2125 14.221 0.616 -5.241 1.00 1.71 C ATOM 1072 C PRO A2125 14.737 1.894 -4.572 1.00 1.73 C ATOM 1073 O PRO A2125 15.212 1.863 -3.438 1.00 2.16 O ATOM 1074 CB PRO A2125 15.136 0.214 -6.395 1.00 2.09 C ATOM 1075 CG PRO A2125 14.245 -0.520 -7.333 1.00 2.09 C ATOM 1076 CD PRO A2125 12.896 0.142 -7.234 1.00 1.75 C ATOM 0 HA PRO A2125 14.170 -0.106 -4.426 1.00 1.71 H new ATOM 0 HB2 PRO A2125 15.582 1.087 -6.871 1.00 2.09 H new ATOM 0 HB3 PRO A2125 15.957 -0.416 -6.051 1.00 2.09 H new ATOM 0 HG2 PRO A2125 14.628 -0.472 -8.352 1.00 2.09 H new ATOM 0 HG3 PRO A2125 14.182 -1.575 -7.065 1.00 2.09 H new ATOM 0 HD2 PRO A2125 12.753 0.879 -8.024 1.00 1.75 H new ATOM 0 HD3 PRO A2125 12.087 -0.583 -7.323 1.00 1.75 H new ATOM 1084 N GLU A2126 14.642 3.017 -5.267 1.00 1.86 N ATOM 1085 CA GLU A2126 15.167 4.274 -4.749 1.00 2.08 C ATOM 1086 C GLU A2126 14.046 5.222 -4.341 1.00 1.98 C ATOM 1087 O GLU A2126 14.214 6.440 -4.373 1.00 2.37 O ATOM 1088 CB GLU A2126 16.056 4.945 -5.792 1.00 2.47 C ATOM 1089 CG GLU A2126 17.285 4.133 -6.155 1.00 3.11 C ATOM 1090 CD GLU A2126 18.138 4.819 -7.197 1.00 3.80 C ATOM 1091 OE1 GLU A2126 18.248 4.288 -8.325 1.00 4.26 O ATOM 1092 OE2 GLU A2126 18.688 5.900 -6.903 1.00 4.33 O ATOM 0 H GLU A2126 14.208 3.085 -6.188 1.00 1.86 H new ATOM 0 HA GLU A2126 15.757 4.045 -3.862 1.00 2.08 H new ATOM 0 HB2 GLU A2126 15.471 5.126 -6.694 1.00 2.47 H new ATOM 0 HB3 GLU A2126 16.372 5.918 -5.416 1.00 2.47 H new ATOM 0 HG2 GLU A2126 17.880 3.959 -5.259 1.00 3.11 H new ATOM 0 HG3 GLU A2126 16.976 3.156 -6.527 1.00 3.11 H new ATOM 1099 N PHE A2127 12.908 4.667 -3.955 1.00 2.04 N ATOM 1100 CA PHE A2127 11.766 5.483 -3.565 1.00 2.23 C ATOM 1101 C PHE A2127 11.932 6.001 -2.142 1.00 2.57 C ATOM 1102 O PHE A2127 11.738 7.187 -1.870 1.00 3.09 O ATOM 1103 CB PHE A2127 10.467 4.680 -3.669 1.00 2.24 C ATOM 1104 CG PHE A2127 9.234 5.487 -3.374 1.00 2.48 C ATOM 1105 CD1 PHE A2127 8.748 6.396 -4.301 1.00 2.99 C ATOM 1106 CD2 PHE A2127 8.560 5.338 -2.171 1.00 2.99 C ATOM 1107 CE1 PHE A2127 7.615 7.139 -4.035 1.00 3.64 C ATOM 1108 CE2 PHE A2127 7.426 6.079 -1.900 1.00 3.62 C ATOM 1109 CZ PHE A2127 6.953 6.982 -2.833 1.00 3.83 C ATOM 0 H PHE A2127 12.749 3.661 -3.903 1.00 2.04 H new ATOM 0 HA PHE A2127 11.716 6.332 -4.247 1.00 2.23 H new ATOM 0 HB2 PHE A2127 10.387 4.264 -4.673 1.00 2.24 H new ATOM 0 HB3 PHE A2127 10.514 3.838 -2.978 1.00 2.24 H new ATOM 0 HD1 PHE A2127 9.262 6.525 -5.242 1.00 2.99 H new ATOM 0 HD2 PHE A2127 8.926 4.635 -1.438 1.00 2.99 H new ATOM 0 HE1 PHE A2127 7.247 7.843 -4.767 1.00 3.64 H new ATOM 0 HE2 PHE A2127 6.910 5.953 -0.960 1.00 3.62 H new ATOM 0 HZ PHE A2127 6.068 7.564 -2.623 1.00 3.83 H new ATOM 1119 N THR A2128 12.304 5.110 -1.243 1.00 2.82 N ATOM 1120 CA THR A2128 12.360 5.434 0.166 1.00 3.38 C ATOM 1121 C THR A2128 13.716 6.001 0.566 1.00 2.89 C ATOM 1122 O THR A2128 14.722 5.291 0.597 1.00 3.03 O ATOM 1123 CB THR A2128 12.035 4.199 1.005 1.00 4.34 C ATOM 1124 OG1 THR A2128 12.816 3.090 0.552 1.00 4.91 O ATOM 1125 CG2 THR A2128 10.562 3.858 0.887 1.00 5.11 C ATOM 0 H THR A2128 12.573 4.152 -1.467 1.00 2.82 H new ATOM 0 HA THR A2128 11.613 6.205 0.355 1.00 3.38 H new ATOM 0 HB THR A2128 12.270 4.411 2.048 1.00 4.34 H new ATOM 0 HG1 THR A2128 13.507 2.884 1.216 1.00 4.91 H new ATOM 0 HG21 THR A2128 10.343 2.976 1.489 1.00 5.11 H new ATOM 0 HG22 THR A2128 9.965 4.698 1.242 1.00 5.11 H new ATOM 0 HG23 THR A2128 10.318 3.655 -0.156 1.00 5.11 H new ATOM 1133 N LYS A2129 13.715 7.295 0.858 1.00 2.90 N ATOM 1134 CA LYS A2129 14.921 8.028 1.239 1.00 2.79 C ATOM 1135 C LYS A2129 14.571 9.471 1.548 1.00 3.43 C ATOM 1136 O LYS A2129 15.295 10.404 1.197 1.00 3.99 O ATOM 1137 CB LYS A2129 15.978 7.960 0.133 1.00 3.05 C ATOM 1138 CG LYS A2129 15.418 8.186 -1.263 1.00 3.76 C ATOM 1139 CD LYS A2129 16.467 7.949 -2.340 1.00 4.33 C ATOM 1140 CE LYS A2129 17.530 9.038 -2.354 1.00 4.72 C ATOM 1141 NZ LYS A2129 16.991 10.340 -2.831 1.00 5.22 N ATOM 0 H LYS A2129 12.874 7.871 0.838 1.00 2.90 H new ATOM 0 HA LYS A2129 15.340 7.563 2.132 1.00 2.79 H new ATOM 0 HB2 LYS A2129 16.747 8.706 0.331 1.00 3.05 H new ATOM 0 HB3 LYS A2129 16.464 6.985 0.166 1.00 3.05 H new ATOM 0 HG2 LYS A2129 14.572 7.519 -1.427 1.00 3.76 H new ATOM 0 HG3 LYS A2129 15.040 9.205 -1.342 1.00 3.76 H new ATOM 0 HD2 LYS A2129 16.942 6.982 -2.176 1.00 4.33 H new ATOM 0 HD3 LYS A2129 15.981 7.905 -3.315 1.00 4.33 H new ATOM 0 HE2 LYS A2129 17.936 9.160 -1.350 1.00 4.72 H new ATOM 0 HE3 LYS A2129 18.355 8.730 -2.996 1.00 4.72 H new ATOM 0 HZ1 LYS A2129 17.776 11.005 -2.986 1.00 5.22 H new ATOM 0 HZ2 LYS A2129 16.477 10.197 -3.724 1.00 5.22 H new ATOM 0 HZ3 LYS A2129 16.343 10.730 -2.117 1.00 5.22 H new ATOM 1155 N VAL A2130 13.452 9.642 2.218 1.00 3.76 N ATOM 1156 CA VAL A2130 12.934 10.958 2.525 1.00 4.65 C ATOM 1157 C VAL A2130 12.533 11.066 3.992 1.00 5.15 C ATOM 1158 O VAL A2130 11.359 10.798 4.320 1.00 5.63 O ATOM 1159 CB VAL A2130 11.734 11.305 1.623 1.00 5.31 C ATOM 1160 CG1 VAL A2130 12.213 11.858 0.291 1.00 5.79 C ATOM 1161 CG2 VAL A2130 10.846 10.085 1.395 1.00 5.88 C ATOM 1162 OXT VAL A2130 13.404 11.406 4.818 1.00 5.44 O ATOM 0 H VAL A2130 12.876 8.875 2.565 1.00 3.76 H new ATOM 0 HA VAL A2130 13.733 11.674 2.333 1.00 4.65 H new ATOM 0 HB VAL A2130 11.143 12.067 2.131 1.00 5.31 H new ATOM 0 HG11 VAL A2130 11.353 12.098 -0.334 1.00 5.79 H new ATOM 0 HG12 VAL A2130 12.800 12.760 0.462 1.00 5.79 H new ATOM 0 HG13 VAL A2130 12.830 11.113 -0.211 1.00 5.79 H new ATOM 0 HG21 VAL A2130 10.007 10.360 0.755 1.00 5.88 H new ATOM 0 HG22 VAL A2130 11.426 9.297 0.914 1.00 5.88 H new ATOM 0 HG23 VAL A2130 10.469 9.725 2.352 1.00 5.88 H new TER 1172 VAL A2130