USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 760 hydrogens (35 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: A2052 ASN : amide:sc= 0.905 K(o=0.88,f=-0.29) USER MOD Set 1.2: A2140 HIS : no HD1:sc= -0.0262 X(o=0.88,f=0.49) USER MOD Set 2.1: A2060 GLN : amide:sc= 0.0161 K(o=0.053,f=-1.3!) USER MOD Set 2.2: A2126 HIS :FLIP no HD1:sc= 0.0365 F(o=-0.5,f=0.053) USER MOD Set 3.1: A2078 HIS : no HD1:sc= -0.903! C(o=0.031!,f=-4.4!) USER MOD Set 3.2: A2082 SER OG : rot -32:sc= 0.933 USER MOD Set 4.1: A2047 SER OG : rot 37:sc= -1.05 USER MOD Set 4.2: A2049 MET CE :methyl -142:sc= -3.09! (180deg=-4.22!) USER MOD Single : A2048 HIS :FLIP no HE2:sc= 0.177 F(o=-0.79,f=0.18) USER MOD Single : A2055 SER OG : rot 180:sc= -0.797 USER MOD Single : A2057 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2058 GLN : amide:sc= -1.91! C(o=-1.9!,f=-7.2!) USER MOD Single : A2059 GLN : amide:sc= -1.23 K(o=-1.2,f=-4.3!) USER MOD Single : A2061 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A2062 THR OG1 : rot 81:sc= 0.402 USER MOD Single : A2065 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A2071 THR OG1 : rot 144:sc= 1.02 USER MOD Single : A2073 THR OG1 : rot 100:sc= 1.2 USER MOD Single : A2077 HIS : no HD1:sc= -0.279 K(o=-0.28,f=-6!) USER MOD Single : A2079 THR OG1 : rot 180:sc= 0 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot -166:sc= -0.511 USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot -160:sc= 0.637 USER MOD Single : A2104 ASN : amide:sc= -1.76! C(o=-1.8!,f=-1.7!) USER MOD Single : A2105 THR OG1 : rot 180:sc= 0 USER MOD Single : A2107 THR OG1 : rot 91:sc= 1.21 USER MOD Single : A2108 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.015) USER MOD Single : A2109 ASN :FLIP amide:sc= -1.3 F(o=-2.3,f=-1.3) USER MOD Single : A2110 THR OG1 : rot -160:sc= 0 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.395 USER MOD Single : A2122 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.0029) USER MOD Single : A2124 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A2129 THR OG1 : rot 69:sc= 0.346 USER MOD Single : A2130 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.76) USER MOD Single : A2131 HIS : no HE2:sc= -0.937 K(o=-0.94,f=-1.6!) USER MOD Single : A2133 HIS : no HE2:sc= -0.48 X(o=-0.48,f=-0.88) USER MOD Single : A2134 THR OG1 : rot 180:sc= 0 USER MOD Single : A2137 THR OG1 : rot -85:sc= 0.958 USER MOD Single : A2138 GLN :FLIP amide:sc= -0.341 F(o=-2.4,f=-0.34) USER MOD Single : A2139 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A2046 8.253 -5.416 -11.529 1.00 6.58 N ATOM 2 CA GLY A2046 9.555 -5.255 -10.840 1.00 6.00 C ATOM 3 C GLY A2046 9.413 -4.497 -9.539 1.00 4.95 C ATOM 4 O GLY A2046 8.324 -4.030 -9.204 1.00 5.03 O ATOM 0 HA2 GLY A2046 9.986 -6.237 -10.643 1.00 6.00 H new ATOM 0 HA3 GLY A2046 10.249 -4.727 -11.494 1.00 6.00 H new ATOM 10 N SER A2047 10.508 -4.372 -8.805 1.00 4.27 N ATOM 11 CA SER A2047 10.507 -3.643 -7.551 1.00 3.35 C ATOM 12 C SER A2047 11.347 -2.374 -7.680 1.00 3.13 C ATOM 13 O SER A2047 11.965 -2.125 -8.715 1.00 3.47 O ATOM 14 CB SER A2047 11.045 -4.531 -6.419 1.00 3.02 C ATOM 15 OG SER A2047 10.978 -3.875 -5.166 1.00 3.54 O ATOM 0 H SER A2047 11.412 -4.769 -9.060 1.00 4.27 H new ATOM 0 HA SER A2047 9.483 -3.359 -7.310 1.00 3.35 H new ATOM 0 HB2 SER A2047 10.470 -5.456 -6.377 1.00 3.02 H new ATOM 0 HB3 SER A2047 12.078 -4.807 -6.631 1.00 3.02 H new ATOM 0 HG SER A2047 10.162 -3.335 -5.123 1.00 3.54 H new ATOM 21 N HIS A2048 11.347 -1.571 -6.627 1.00 3.12 N ATOM 22 CA HIS A2048 12.102 -0.325 -6.599 1.00 3.29 C ATOM 23 C HIS A2048 13.255 -0.454 -5.613 1.00 2.68 C ATOM 24 O HIS A2048 13.791 0.538 -5.122 1.00 3.15 O ATOM 25 CB HIS A2048 11.197 0.854 -6.215 1.00 4.29 C ATOM 26 CG HIS A2048 10.104 1.129 -7.207 1.00 5.00 C ATOM 27 ND1 HIS A2048 9.055 0.366 -7.600 1.00 5.92 N flip ATOM 28 CD2 HIS A2048 9.999 2.307 -7.911 1.00 5.21 C flip ATOM 29 CE1 HIS A2048 8.347 1.088 -8.525 1.00 6.67 C flip ATOM 30 NE2 HIS A2048 8.936 2.256 -8.693 1.00 6.28 N flip ATOM 0 H HIS A2048 10.827 -1.762 -5.771 1.00 3.12 H new ATOM 0 HA HIS A2048 12.499 -0.130 -7.595 1.00 3.29 H new ATOM 0 HB2 HIS A2048 10.749 0.654 -5.242 1.00 4.29 H new ATOM 0 HB3 HIS A2048 11.809 1.749 -6.106 1.00 4.29 H new ATOM 0 HD1 HIS A2048 8.833 -0.573 -7.268 1.00 5.92 H new ATOM 0 HD2 HIS A2048 10.679 3.142 -7.836 1.00 5.21 H new ATOM 0 HE1 HIS A2048 7.454 0.755 -9.033 1.00 6.67 H new ATOM 39 N MET A2049 13.626 -1.698 -5.332 1.00 2.16 N ATOM 40 CA MET A2049 14.656 -2.009 -4.343 1.00 2.54 C ATOM 41 C MET A2049 16.033 -1.636 -4.833 1.00 3.09 C ATOM 42 O MET A2049 16.980 -1.546 -4.053 1.00 3.75 O ATOM 43 CB MET A2049 14.636 -3.493 -4.017 1.00 2.76 C ATOM 44 CG MET A2049 13.434 -3.907 -3.193 1.00 2.18 C ATOM 45 SD MET A2049 13.033 -5.654 -3.357 1.00 2.91 S ATOM 46 CE MET A2049 11.453 -5.697 -2.519 1.00 2.37 C ATOM 0 H MET A2049 13.223 -2.520 -5.782 1.00 2.16 H new ATOM 0 HA MET A2049 14.435 -1.423 -3.451 1.00 2.54 H new ATOM 0 HB2 MET A2049 14.645 -4.063 -4.946 1.00 2.76 H new ATOM 0 HB3 MET A2049 15.546 -3.752 -3.476 1.00 2.76 H new ATOM 0 HG2 MET A2049 13.625 -3.681 -2.144 1.00 2.18 H new ATOM 0 HG3 MET A2049 12.572 -3.313 -3.495 1.00 2.18 H new ATOM 0 HE1 MET A2049 11.371 -6.620 -1.944 1.00 2.37 H new ATOM 0 HE2 MET A2049 11.374 -4.843 -1.847 1.00 2.37 H new ATOM 0 HE3 MET A2049 10.650 -5.655 -3.255 1.00 2.37 H new ATOM 56 N ARG A2050 16.147 -1.427 -6.125 1.00 3.38 N ATOM 57 CA ARG A2050 17.421 -1.073 -6.707 1.00 4.33 C ATOM 58 C ARG A2050 17.840 0.321 -6.249 1.00 4.19 C ATOM 59 O ARG A2050 19.017 0.681 -6.273 1.00 4.88 O ATOM 60 CB ARG A2050 17.362 -1.145 -8.227 1.00 5.36 C ATOM 61 CG ARG A2050 18.689 -0.825 -8.882 1.00 6.15 C ATOM 62 CD ARG A2050 18.824 -1.528 -10.209 1.00 6.73 C ATOM 63 NE ARG A2050 20.121 -1.272 -10.826 1.00 7.76 N ATOM 64 CZ ARG A2050 20.542 -1.858 -11.943 1.00 8.52 C ATOM 65 NH1 ARG A2050 19.764 -2.732 -12.573 1.00 8.48 N ATOM 66 NH2 ARG A2050 21.741 -1.568 -12.428 1.00 9.54 N ATOM 0 H ARG A2050 15.377 -1.496 -6.790 1.00 3.38 H new ATOM 0 HA ARG A2050 18.167 -1.791 -6.366 1.00 4.33 H new ATOM 0 HB2 ARG A2050 17.046 -2.144 -8.527 1.00 5.36 H new ATOM 0 HB3 ARG A2050 16.606 -0.449 -8.590 1.00 5.36 H new ATOM 0 HG2 ARG A2050 18.776 0.252 -9.027 1.00 6.15 H new ATOM 0 HG3 ARG A2050 19.504 -1.125 -8.224 1.00 6.15 H new ATOM 0 HD2 ARG A2050 18.694 -2.601 -10.067 1.00 6.73 H new ATOM 0 HD3 ARG A2050 18.031 -1.196 -10.879 1.00 6.73 H new ATOM 0 HE ARG A2050 20.743 -0.603 -10.373 1.00 7.76 H new ATOM 0 HH11 ARG A2050 18.841 -2.955 -12.200 1.00 8.48 H new ATOM 0 HH12 ARG A2050 20.090 -3.180 -13.430 1.00 8.48 H new ATOM 0 HH21 ARG A2050 22.338 -0.897 -11.945 1.00 9.54 H new ATOM 0 HH22 ARG A2050 22.067 -2.016 -13.285 1.00 9.54 H new ATOM 80 N LEU A2051 16.861 1.092 -5.799 1.00 3.64 N ATOM 81 CA LEU A2051 17.104 2.429 -5.283 1.00 3.84 C ATOM 82 C LEU A2051 17.425 2.374 -3.794 1.00 3.17 C ATOM 83 O LEU A2051 17.246 3.356 -3.075 1.00 3.42 O ATOM 84 CB LEU A2051 15.892 3.340 -5.519 1.00 4.74 C ATOM 85 CG LEU A2051 15.671 3.802 -6.965 1.00 5.66 C ATOM 86 CD1 LEU A2051 15.220 2.652 -7.855 1.00 6.21 C ATOM 87 CD2 LEU A2051 14.656 4.931 -7.002 1.00 6.31 C ATOM 0 H LEU A2051 15.881 0.809 -5.782 1.00 3.64 H new ATOM 0 HA LEU A2051 17.958 2.843 -5.819 1.00 3.84 H new ATOM 0 HB2 LEU A2051 14.997 2.815 -5.185 1.00 4.74 H new ATOM 0 HB3 LEU A2051 15.997 4.223 -4.888 1.00 4.74 H new ATOM 0 HG LEU A2051 16.623 4.165 -7.352 1.00 5.66 H new ATOM 0 HD11 LEU A2051 15.073 3.015 -8.872 1.00 6.21 H new ATOM 0 HD12 LEU A2051 15.981 1.872 -7.855 1.00 6.21 H new ATOM 0 HD13 LEU A2051 14.283 2.245 -7.476 1.00 6.21 H new ATOM 0 HD21 LEU A2051 14.506 5.252 -8.033 1.00 6.31 H new ATOM 0 HD22 LEU A2051 13.709 4.583 -6.589 1.00 6.31 H new ATOM 0 HD23 LEU A2051 15.023 5.770 -6.411 1.00 6.31 H new ATOM 99 N ASN A2052 17.885 1.211 -3.337 1.00 2.84 N ATOM 100 CA ASN A2052 18.258 1.023 -1.938 1.00 3.03 C ATOM 101 C ASN A2052 19.270 2.072 -1.503 1.00 2.88 C ATOM 102 O ASN A2052 20.087 2.542 -2.297 1.00 2.92 O ATOM 103 CB ASN A2052 18.816 -0.387 -1.693 1.00 3.65 C ATOM 104 CG ASN A2052 20.032 -0.710 -2.543 1.00 4.17 C ATOM 105 OD1 ASN A2052 21.171 -0.442 -2.155 1.00 4.47 O ATOM 106 ND2 ASN A2052 19.800 -1.322 -3.692 1.00 4.71 N ATOM 0 H ASN A2052 18.008 0.382 -3.918 1.00 2.84 H new ATOM 0 HA ASN A2052 17.355 1.139 -1.339 1.00 3.03 H new ATOM 0 HB2 ASN A2052 19.081 -0.487 -0.640 1.00 3.65 H new ATOM 0 HB3 ASN A2052 18.035 -1.119 -1.896 1.00 3.65 H new ATOM 0 HD21 ASN A2052 20.579 -1.590 -4.293 1.00 4.71 H new ATOM 0 HD22 ASN A2052 18.842 -1.526 -3.977 1.00 4.71 H new ATOM 113 N GLY A2053 19.209 2.437 -0.237 1.00 3.23 N ATOM 114 CA GLY A2053 20.018 3.525 0.260 1.00 3.43 C ATOM 115 C GLY A2053 19.164 4.722 0.608 1.00 2.89 C ATOM 116 O GLY A2053 19.630 5.675 1.238 1.00 2.97 O ATOM 0 H GLY A2053 18.610 1.996 0.461 1.00 3.23 H new ATOM 0 HA2 GLY A2053 20.570 3.199 1.142 1.00 3.43 H new ATOM 0 HA3 GLY A2053 20.756 3.807 -0.491 1.00 3.43 H new ATOM 120 N LEU A2054 17.906 4.672 0.184 1.00 2.44 N ATOM 121 CA LEU A2054 16.934 5.694 0.528 1.00 2.06 C ATOM 122 C LEU A2054 16.696 5.717 2.025 1.00 1.93 C ATOM 123 O LEU A2054 16.551 4.669 2.659 1.00 2.10 O ATOM 124 CB LEU A2054 15.607 5.425 -0.181 1.00 1.96 C ATOM 125 CG LEU A2054 15.619 5.593 -1.696 1.00 2.68 C ATOM 126 CD1 LEU A2054 14.254 5.262 -2.264 1.00 3.19 C ATOM 127 CD2 LEU A2054 16.029 7.006 -2.082 1.00 3.31 C ATOM 0 H LEU A2054 17.536 3.925 -0.404 1.00 2.44 H new ATOM 0 HA LEU A2054 17.330 6.658 0.209 1.00 2.06 H new ATOM 0 HB2 LEU A2054 15.293 4.407 0.050 1.00 1.96 H new ATOM 0 HB3 LEU A2054 14.853 6.094 0.234 1.00 1.96 H new ATOM 0 HG LEU A2054 16.353 4.904 -2.115 1.00 2.68 H new ATOM 0 HD11 LEU A2054 14.271 5.385 -3.347 1.00 3.19 H new ATOM 0 HD12 LEU A2054 13.998 4.231 -2.019 1.00 3.19 H new ATOM 0 HD13 LEU A2054 13.509 5.932 -1.835 1.00 3.19 H new ATOM 0 HD21 LEU A2054 16.030 7.101 -3.168 1.00 3.31 H new ATOM 0 HD22 LEU A2054 15.323 7.719 -1.656 1.00 3.31 H new ATOM 0 HD23 LEU A2054 17.028 7.212 -1.699 1.00 3.31 H new ATOM 139 N SER A2055 16.668 6.910 2.586 1.00 1.75 N ATOM 140 CA SER A2055 16.339 7.084 3.983 1.00 1.71 C ATOM 141 C SER A2055 14.859 6.772 4.203 1.00 1.44 C ATOM 142 O SER A2055 14.069 6.846 3.258 1.00 1.25 O ATOM 143 CB SER A2055 16.680 8.512 4.405 1.00 1.78 C ATOM 144 OG SER A2055 16.299 9.439 3.403 1.00 2.08 O ATOM 0 H SER A2055 16.871 7.778 2.090 1.00 1.75 H new ATOM 0 HA SER A2055 16.921 6.397 4.597 1.00 1.71 H new ATOM 0 HB2 SER A2055 16.172 8.751 5.339 1.00 1.78 H new ATOM 0 HB3 SER A2055 17.750 8.594 4.594 1.00 1.78 H new ATOM 0 HG SER A2055 16.525 10.347 3.694 1.00 2.08 H new ATOM 150 N PRO A2056 14.468 6.393 5.437 1.00 1.48 N ATOM 151 CA PRO A2056 13.092 5.994 5.755 1.00 1.29 C ATOM 152 C PRO A2056 12.034 6.896 5.122 1.00 1.09 C ATOM 153 O PRO A2056 11.098 6.407 4.488 1.00 0.87 O ATOM 154 CB PRO A2056 13.050 6.101 7.277 1.00 1.53 C ATOM 155 CG PRO A2056 14.439 5.784 7.706 1.00 1.78 C ATOM 156 CD PRO A2056 15.345 6.315 6.625 1.00 1.78 C ATOM 0 HA PRO A2056 12.861 5.003 5.366 1.00 1.29 H new ATOM 0 HB2 PRO A2056 12.753 7.099 7.598 1.00 1.53 H new ATOM 0 HB3 PRO A2056 12.332 5.402 7.705 1.00 1.53 H new ATOM 0 HG2 PRO A2056 14.665 6.248 8.666 1.00 1.78 H new ATOM 0 HG3 PRO A2056 14.572 4.709 7.832 1.00 1.78 H new ATOM 0 HD2 PRO A2056 15.751 7.292 6.887 1.00 1.78 H new ATOM 0 HD3 PRO A2056 16.194 5.653 6.453 1.00 1.78 H new ATOM 164 N GLN A2057 12.210 8.205 5.261 1.00 1.22 N ATOM 165 CA GLN A2057 11.232 9.173 4.771 1.00 1.17 C ATOM 166 C GLN A2057 11.119 9.171 3.245 1.00 1.01 C ATOM 167 O GLN A2057 10.061 9.484 2.701 1.00 0.95 O ATOM 168 CB GLN A2057 11.583 10.572 5.258 1.00 1.44 C ATOM 169 CG GLN A2057 11.483 10.734 6.763 1.00 1.66 C ATOM 170 CD GLN A2057 11.898 12.115 7.223 1.00 2.02 C ATOM 171 OE1 GLN A2057 11.081 13.031 7.299 1.00 2.32 O ATOM 172 NE2 GLN A2057 13.172 12.278 7.531 1.00 2.40 N ATOM 0 H GLN A2057 13.024 8.623 5.711 1.00 1.22 H new ATOM 0 HA GLN A2057 10.263 8.874 5.172 1.00 1.17 H new ATOM 0 HB2 GLN A2057 12.598 10.814 4.942 1.00 1.44 H new ATOM 0 HB3 GLN A2057 10.919 11.292 4.779 1.00 1.44 H new ATOM 0 HG2 GLN A2057 10.458 10.541 7.079 1.00 1.66 H new ATOM 0 HG3 GLN A2057 12.112 9.988 7.249 1.00 1.66 H new ATOM 0 HE21 GLN A2057 13.819 11.493 7.455 1.00 2.40 H new ATOM 0 HE22 GLN A2057 13.508 13.188 7.845 1.00 2.40 H new ATOM 181 N GLN A2058 12.199 8.825 2.554 1.00 1.07 N ATOM 182 CA GLN A2058 12.194 8.824 1.091 1.00 1.08 C ATOM 183 C GLN A2058 11.354 7.673 0.559 1.00 0.89 C ATOM 184 O GLN A2058 10.571 7.834 -0.378 1.00 0.84 O ATOM 185 CB GLN A2058 13.613 8.723 0.538 1.00 1.36 C ATOM 186 CG GLN A2058 14.517 9.884 0.922 1.00 1.58 C ATOM 187 CD GLN A2058 14.042 11.229 0.395 1.00 1.86 C ATOM 188 OE1 GLN A2058 12.843 11.477 0.245 1.00 2.40 O ATOM 189 NE2 GLN A2058 14.986 12.107 0.106 1.00 2.23 N ATOM 0 H GLN A2058 13.084 8.543 2.976 1.00 1.07 H new ATOM 0 HA GLN A2058 11.757 9.767 0.761 1.00 1.08 H new ATOM 0 HB2 GLN A2058 14.063 7.795 0.891 1.00 1.36 H new ATOM 0 HB3 GLN A2058 13.563 8.660 -0.549 1.00 1.36 H new ATOM 0 HG2 GLN A2058 14.588 9.934 2.009 1.00 1.58 H new ATOM 0 HG3 GLN A2058 15.522 9.691 0.546 1.00 1.58 H new ATOM 0 HE21 GLN A2058 15.967 11.865 0.244 1.00 2.23 H new ATOM 0 HE22 GLN A2058 14.734 13.027 -0.255 1.00 2.23 H new ATOM 198 N GLN A2059 11.532 6.506 1.151 1.00 0.87 N ATOM 199 CA GLN A2059 10.715 5.361 0.811 1.00 0.75 C ATOM 200 C GLN A2059 9.277 5.573 1.277 1.00 0.58 C ATOM 201 O GLN A2059 8.344 5.424 0.495 1.00 0.54 O ATOM 202 CB GLN A2059 11.306 4.096 1.425 1.00 0.80 C ATOM 203 CG GLN A2059 12.595 3.644 0.754 1.00 1.17 C ATOM 204 CD GLN A2059 12.348 2.917 -0.557 1.00 1.86 C ATOM 205 OE1 GLN A2059 11.374 3.183 -1.257 1.00 2.83 O ATOM 206 NE2 GLN A2059 13.231 1.989 -0.895 1.00 1.87 N ATOM 0 H GLN A2059 12.235 6.329 1.869 1.00 0.87 H new ATOM 0 HA GLN A2059 10.704 5.245 -0.273 1.00 0.75 H new ATOM 0 HB2 GLN A2059 11.498 4.270 2.484 1.00 0.80 H new ATOM 0 HB3 GLN A2059 10.571 3.293 1.362 1.00 0.80 H new ATOM 0 HG2 GLN A2059 13.228 4.512 0.570 1.00 1.17 H new ATOM 0 HG3 GLN A2059 13.142 2.988 1.431 1.00 1.17 H new ATOM 0 HE21 GLN A2059 14.027 1.797 -0.287 1.00 1.87 H new ATOM 0 HE22 GLN A2059 13.115 1.467 -1.763 1.00 1.87 H new ATOM 215 N GLN A2060 9.102 5.947 2.543 1.00 0.54 N ATOM 216 CA GLN A2060 7.772 6.159 3.100 1.00 0.45 C ATOM 217 C GLN A2060 6.934 7.141 2.288 1.00 0.44 C ATOM 218 O GLN A2060 5.740 6.926 2.129 1.00 0.42 O ATOM 219 CB GLN A2060 7.856 6.627 4.547 1.00 0.55 C ATOM 220 CG GLN A2060 8.346 5.550 5.494 1.00 0.57 C ATOM 221 CD GLN A2060 8.136 5.921 6.947 1.00 0.81 C ATOM 222 OE1 GLN A2060 7.205 6.652 7.281 1.00 1.38 O ATOM 223 NE2 GLN A2060 8.992 5.419 7.819 1.00 1.01 N ATOM 0 H GLN A2060 9.865 6.109 3.200 1.00 0.54 H new ATOM 0 HA GLN A2060 7.270 5.192 3.058 1.00 0.45 H new ATOM 0 HB2 GLN A2060 8.525 7.486 4.606 1.00 0.55 H new ATOM 0 HB3 GLN A2060 6.872 6.966 4.870 1.00 0.55 H new ATOM 0 HG2 GLN A2060 7.824 4.617 5.281 1.00 0.57 H new ATOM 0 HG3 GLN A2060 9.406 5.369 5.317 1.00 0.57 H new ATOM 0 HE21 GLN A2060 9.751 4.817 7.500 1.00 1.01 H new ATOM 0 HE22 GLN A2060 8.894 5.634 8.811 1.00 1.01 H new ATOM 232 N GLN A2061 7.532 8.211 1.773 1.00 0.58 N ATOM 233 CA GLN A2061 6.759 9.163 0.978 1.00 0.61 C ATOM 234 C GLN A2061 6.285 8.508 -0.315 1.00 0.51 C ATOM 235 O GLN A2061 5.131 8.664 -0.713 1.00 0.45 O ATOM 236 CB GLN A2061 7.548 10.440 0.671 1.00 0.83 C ATOM 237 CG GLN A2061 8.812 10.222 -0.134 1.00 0.89 C ATOM 238 CD GLN A2061 9.395 11.511 -0.677 1.00 1.29 C ATOM 239 OE1 GLN A2061 9.191 12.606 0.037 1.00 1.75 O flip ATOM 240 NE2 GLN A2061 10.022 11.522 -1.736 1.00 1.97 N flip ATOM 0 H GLN A2061 8.520 8.438 1.886 1.00 0.58 H new ATOM 0 HA GLN A2061 5.894 9.455 1.573 1.00 0.61 H new ATOM 0 HB2 GLN A2061 6.901 11.129 0.128 1.00 0.83 H new ATOM 0 HB3 GLN A2061 7.811 10.924 1.612 1.00 0.83 H new ATOM 0 HG2 GLN A2061 9.555 9.729 0.492 1.00 0.89 H new ATOM 0 HG3 GLN A2061 8.597 9.549 -0.964 1.00 0.89 H new ATOM 0 HE21 GLN A2061 10.158 10.656 -2.257 1.00 1.97 H new ATOM 0 HE22 GLN A2061 10.406 12.397 -2.092 1.00 1.97 H new ATOM 249 N THR A2062 7.179 7.768 -0.955 1.00 0.53 N ATOM 250 CA THR A2062 6.847 7.009 -2.153 1.00 0.50 C ATOM 251 C THR A2062 5.706 6.038 -1.877 1.00 0.39 C ATOM 252 O THR A2062 4.640 6.118 -2.485 1.00 0.42 O ATOM 253 CB THR A2062 8.068 6.213 -2.656 1.00 0.59 C ATOM 254 OG1 THR A2062 9.148 7.110 -2.956 1.00 0.74 O ATOM 255 CG2 THR A2062 7.712 5.384 -3.886 1.00 0.83 C ATOM 0 H THR A2062 8.151 7.677 -0.660 1.00 0.53 H new ATOM 0 HA THR A2062 6.541 7.723 -2.918 1.00 0.50 H new ATOM 0 HB THR A2062 8.381 5.529 -1.867 1.00 0.59 H new ATOM 0 HG1 THR A2062 9.613 7.351 -2.128 1.00 0.74 H new ATOM 0 HG21 THR A2062 8.591 4.833 -4.220 1.00 0.83 H new ATOM 0 HG22 THR A2062 6.917 4.682 -3.634 1.00 0.83 H new ATOM 0 HG23 THR A2062 7.373 6.044 -4.684 1.00 0.83 H new ATOM 263 N LEU A2063 5.945 5.137 -0.940 1.00 0.37 N ATOM 264 CA LEU A2063 5.005 4.104 -0.567 1.00 0.29 C ATOM 265 C LEU A2063 3.672 4.684 -0.095 1.00 0.22 C ATOM 266 O LEU A2063 2.617 4.116 -0.374 1.00 0.21 O ATOM 267 CB LEU A2063 5.648 3.242 0.517 1.00 0.30 C ATOM 268 CG LEU A2063 6.717 2.253 0.026 1.00 0.53 C ATOM 269 CD1 LEU A2063 7.732 2.906 -0.905 1.00 0.92 C ATOM 270 CD2 LEU A2063 7.429 1.631 1.214 1.00 0.79 C ATOM 0 H LEU A2063 6.816 5.106 -0.409 1.00 0.37 H new ATOM 0 HA LEU A2063 4.776 3.495 -1.442 1.00 0.29 H new ATOM 0 HB2 LEU A2063 6.100 3.900 1.260 1.00 0.30 H new ATOM 0 HB3 LEU A2063 4.863 2.680 1.024 1.00 0.30 H new ATOM 0 HG LEU A2063 6.204 1.480 -0.547 1.00 0.53 H new ATOM 0 HD11 LEU A2063 8.464 2.164 -1.223 1.00 0.92 H new ATOM 0 HD12 LEU A2063 7.219 3.307 -1.779 1.00 0.92 H new ATOM 0 HD13 LEU A2063 8.240 3.715 -0.380 1.00 0.92 H new ATOM 0 HD21 LEU A2063 8.185 0.931 0.859 1.00 0.79 H new ATOM 0 HD22 LEU A2063 7.907 2.414 1.803 1.00 0.79 H new ATOM 0 HD23 LEU A2063 6.706 1.101 1.834 1.00 0.79 H new ATOM 282 N ALA A2064 3.719 5.816 0.601 1.00 0.25 N ATOM 283 CA ALA A2064 2.501 6.485 1.053 1.00 0.27 C ATOM 284 C ALA A2064 1.728 7.059 -0.126 1.00 0.25 C ATOM 285 O ALA A2064 0.501 7.108 -0.108 1.00 0.30 O ATOM 286 CB ALA A2064 2.822 7.583 2.051 1.00 0.37 C ATOM 0 H ALA A2064 4.584 6.289 0.864 1.00 0.25 H new ATOM 0 HA ALA A2064 1.878 5.740 1.548 1.00 0.27 H new ATOM 0 HB1 ALA A2064 1.898 8.065 2.371 1.00 0.37 H new ATOM 0 HB2 ALA A2064 3.326 7.152 2.916 1.00 0.37 H new ATOM 0 HB3 ALA A2064 3.473 8.321 1.583 1.00 0.37 H new ATOM 292 N THR A2065 2.449 7.474 -1.155 1.00 0.24 N ATOM 293 CA THR A2065 1.820 8.015 -2.349 1.00 0.27 C ATOM 294 C THR A2065 1.324 6.863 -3.216 1.00 0.24 C ATOM 295 O THR A2065 0.333 6.982 -3.938 1.00 0.29 O ATOM 296 CB THR A2065 2.796 8.900 -3.146 1.00 0.35 C ATOM 297 OG1 THR A2065 3.402 9.865 -2.271 1.00 0.40 O ATOM 298 CG2 THR A2065 2.081 9.624 -4.278 1.00 0.42 C ATOM 0 H THR A2065 3.468 7.447 -1.188 1.00 0.24 H new ATOM 0 HA THR A2065 0.980 8.642 -2.049 1.00 0.27 H new ATOM 0 HB THR A2065 3.563 8.256 -3.577 1.00 0.35 H new ATOM 0 HG1 THR A2065 4.060 9.419 -1.697 1.00 0.40 H new ATOM 0 HG21 THR A2065 2.795 10.241 -4.823 1.00 0.42 H new ATOM 0 HG22 THR A2065 1.641 8.893 -4.956 1.00 0.42 H new ATOM 0 HG23 THR A2065 1.295 10.257 -3.866 1.00 0.42 H new ATOM 306 N LEU A2066 2.029 5.745 -3.117 1.00 0.21 N ATOM 307 CA LEU A2066 1.629 4.507 -3.765 1.00 0.21 C ATOM 308 C LEU A2066 0.297 4.027 -3.224 1.00 0.18 C ATOM 309 O LEU A2066 -0.684 3.972 -3.949 1.00 0.20 O ATOM 310 CB LEU A2066 2.688 3.430 -3.535 1.00 0.24 C ATOM 311 CG LEU A2066 2.245 2.002 -3.869 1.00 0.30 C ATOM 312 CD1 LEU A2066 1.835 1.882 -5.330 1.00 0.37 C ATOM 313 CD2 LEU A2066 3.350 1.016 -3.537 1.00 0.36 C ATOM 0 H LEU A2066 2.896 5.672 -2.584 1.00 0.21 H new ATOM 0 HA LEU A2066 1.529 4.697 -4.834 1.00 0.21 H new ATOM 0 HB2 LEU A2066 3.566 3.671 -4.135 1.00 0.24 H new ATOM 0 HB3 LEU A2066 2.997 3.463 -2.490 1.00 0.24 H new ATOM 0 HG LEU A2066 1.373 1.765 -3.259 1.00 0.30 H new ATOM 0 HD11 LEU A2066 1.525 0.858 -5.538 1.00 0.37 H new ATOM 0 HD12 LEU A2066 1.006 2.560 -5.532 1.00 0.37 H new ATOM 0 HD13 LEU A2066 2.680 2.142 -5.968 1.00 0.37 H new ATOM 0 HD21 LEU A2066 3.021 0.006 -3.780 1.00 0.36 H new ATOM 0 HD22 LEU A2066 4.240 1.257 -4.119 1.00 0.36 H new ATOM 0 HD23 LEU A2066 3.584 1.076 -2.474 1.00 0.36 H new ATOM 325 N VAL A2067 0.281 3.682 -1.944 1.00 0.17 N ATOM 326 CA VAL A2067 -0.923 3.174 -1.291 1.00 0.18 C ATOM 327 C VAL A2067 -2.105 4.132 -1.467 1.00 0.19 C ATOM 328 O VAL A2067 -3.236 3.701 -1.705 1.00 0.22 O ATOM 329 CB VAL A2067 -0.675 2.903 0.208 1.00 0.21 C ATOM 330 CG1 VAL A2067 -0.192 4.150 0.928 1.00 0.51 C ATOM 331 CG2 VAL A2067 -1.934 2.370 0.859 1.00 0.64 C ATOM 0 H VAL A2067 1.094 3.745 -1.331 1.00 0.17 H new ATOM 0 HA VAL A2067 -1.175 2.231 -1.775 1.00 0.18 H new ATOM 0 HB VAL A2067 0.111 2.152 0.286 1.00 0.21 H new ATOM 0 HG11 VAL A2067 -0.028 3.922 1.981 1.00 0.51 H new ATOM 0 HG12 VAL A2067 0.742 4.490 0.481 1.00 0.51 H new ATOM 0 HG13 VAL A2067 -0.943 4.935 0.840 1.00 0.51 H new ATOM 0 HG21 VAL A2067 -1.746 2.183 1.916 1.00 0.64 H new ATOM 0 HG22 VAL A2067 -2.735 3.103 0.757 1.00 0.64 H new ATOM 0 HG23 VAL A2067 -2.229 1.440 0.373 1.00 0.64 H new ATOM 341 N ALA A2068 -1.831 5.424 -1.359 1.00 0.19 N ATOM 342 CA ALA A2068 -2.834 6.451 -1.592 1.00 0.23 C ATOM 343 C ALA A2068 -3.394 6.358 -3.006 1.00 0.23 C ATOM 344 O ALA A2068 -4.606 6.307 -3.198 1.00 0.29 O ATOM 345 CB ALA A2068 -2.239 7.828 -1.355 1.00 0.27 C ATOM 0 H ALA A2068 -0.912 5.788 -1.109 1.00 0.19 H new ATOM 0 HA ALA A2068 -3.653 6.291 -0.890 1.00 0.23 H new ATOM 0 HB1 ALA A2068 -2.999 8.588 -1.533 1.00 0.27 H new ATOM 0 HB2 ALA A2068 -1.887 7.900 -0.326 1.00 0.27 H new ATOM 0 HB3 ALA A2068 -1.403 7.985 -2.036 1.00 0.27 H new ATOM 351 N ALA A2069 -2.509 6.325 -3.993 1.00 0.20 N ATOM 352 CA ALA A2069 -2.926 6.224 -5.382 1.00 0.22 C ATOM 353 C ALA A2069 -3.538 4.865 -5.656 1.00 0.23 C ATOM 354 O ALA A2069 -4.422 4.732 -6.495 1.00 0.29 O ATOM 355 CB ALA A2069 -1.751 6.476 -6.307 1.00 0.25 C ATOM 0 H ALA A2069 -1.499 6.367 -3.856 1.00 0.20 H new ATOM 0 HA ALA A2069 -3.683 6.985 -5.572 1.00 0.22 H new ATOM 0 HB1 ALA A2069 -2.080 6.397 -7.343 1.00 0.25 H new ATOM 0 HB2 ALA A2069 -1.355 7.475 -6.128 1.00 0.25 H new ATOM 0 HB3 ALA A2069 -0.973 5.737 -6.116 1.00 0.25 H new ATOM 361 N ALA A2070 -3.071 3.863 -4.934 1.00 0.21 N ATOM 362 CA ALA A2070 -3.602 2.524 -5.047 1.00 0.24 C ATOM 363 C ALA A2070 -5.072 2.525 -4.672 1.00 0.26 C ATOM 364 O ALA A2070 -5.935 2.289 -5.512 1.00 0.34 O ATOM 365 CB ALA A2070 -2.818 1.568 -4.169 1.00 0.25 C ATOM 0 H ALA A2070 -2.315 3.958 -4.256 1.00 0.21 H new ATOM 0 HA ALA A2070 -3.506 2.185 -6.079 1.00 0.24 H new ATOM 0 HB1 ALA A2070 -3.231 0.564 -4.266 1.00 0.25 H new ATOM 0 HB2 ALA A2070 -1.773 1.562 -4.480 1.00 0.25 H new ATOM 0 HB3 ALA A2070 -2.886 1.890 -3.130 1.00 0.25 H new ATOM 371 N THR A2071 -5.349 2.871 -3.420 1.00 0.24 N ATOM 372 CA THR A2071 -6.708 2.863 -2.899 1.00 0.28 C ATOM 373 C THR A2071 -7.603 3.807 -3.685 1.00 0.31 C ATOM 374 O THR A2071 -8.781 3.524 -3.922 1.00 0.37 O ATOM 375 CB THR A2071 -6.728 3.239 -1.401 1.00 0.30 C ATOM 376 OG1 THR A2071 -8.009 2.952 -0.834 1.00 0.38 O ATOM 377 CG2 THR A2071 -6.405 4.708 -1.176 1.00 0.29 C ATOM 0 H THR A2071 -4.643 3.162 -2.744 1.00 0.24 H new ATOM 0 HA THR A2071 -7.095 1.850 -3.009 1.00 0.28 H new ATOM 0 HB THR A2071 -5.959 2.640 -0.913 1.00 0.30 H new ATOM 0 HG1 THR A2071 -7.895 2.627 0.084 1.00 0.38 H new ATOM 0 HG21 THR A2071 -6.431 4.927 -0.108 1.00 0.29 H new ATOM 0 HG22 THR A2071 -5.411 4.926 -1.567 1.00 0.29 H new ATOM 0 HG23 THR A2071 -7.141 5.325 -1.691 1.00 0.29 H new ATOM 385 N ALA A2072 -7.030 4.913 -4.117 1.00 0.31 N ATOM 386 CA ALA A2072 -7.780 5.906 -4.844 1.00 0.40 C ATOM 387 C ALA A2072 -8.154 5.416 -6.234 1.00 0.42 C ATOM 388 O ALA A2072 -9.166 5.836 -6.779 1.00 0.54 O ATOM 389 CB ALA A2072 -7.010 7.208 -4.928 1.00 0.47 C ATOM 0 H ALA A2072 -6.046 5.143 -3.975 1.00 0.31 H new ATOM 0 HA ALA A2072 -8.704 6.085 -4.295 1.00 0.40 H new ATOM 0 HB1 ALA A2072 -7.596 7.942 -5.481 1.00 0.47 H new ATOM 0 HB2 ALA A2072 -6.816 7.582 -3.923 1.00 0.47 H new ATOM 0 HB3 ALA A2072 -6.063 7.038 -5.441 1.00 0.47 H new ATOM 395 N THR A2073 -7.351 4.514 -6.792 1.00 0.36 N ATOM 396 CA THR A2073 -7.577 4.032 -8.149 1.00 0.40 C ATOM 397 C THR A2073 -8.481 2.799 -8.179 1.00 0.29 C ATOM 398 O THR A2073 -9.300 2.656 -9.087 1.00 0.34 O ATOM 399 CB THR A2073 -6.248 3.721 -8.862 1.00 0.49 C ATOM 400 OG1 THR A2073 -5.418 4.888 -8.858 1.00 0.60 O ATOM 401 CG2 THR A2073 -6.477 3.273 -10.301 1.00 0.58 C ATOM 0 H THR A2073 -6.541 4.104 -6.326 1.00 0.36 H new ATOM 0 HA THR A2073 -8.084 4.837 -8.681 1.00 0.40 H new ATOM 0 HB THR A2073 -5.760 2.908 -8.324 1.00 0.49 H new ATOM 0 HG1 THR A2073 -4.748 4.810 -8.147 1.00 0.60 H new ATOM 0 HG21 THR A2073 -5.518 3.062 -10.773 1.00 0.58 H new ATOM 0 HG22 THR A2073 -7.091 2.372 -10.308 1.00 0.58 H new ATOM 0 HG23 THR A2073 -6.986 4.064 -10.852 1.00 0.58 H new ATOM 409 N VAL A2074 -8.353 1.921 -7.185 1.00 0.20 N ATOM 410 CA VAL A2074 -9.206 0.729 -7.122 1.00 0.22 C ATOM 411 C VAL A2074 -10.661 1.170 -7.033 1.00 0.27 C ATOM 412 O VAL A2074 -11.565 0.526 -7.565 1.00 0.41 O ATOM 413 CB VAL A2074 -8.862 -0.212 -5.931 1.00 0.27 C ATOM 414 CG1 VAL A2074 -7.388 -0.182 -5.642 1.00 0.78 C ATOM 415 CG2 VAL A2074 -9.627 0.123 -4.665 1.00 0.72 C ATOM 0 H VAL A2074 -7.680 2.007 -6.423 1.00 0.20 H new ATOM 0 HA VAL A2074 -9.028 0.151 -8.029 1.00 0.22 H new ATOM 0 HB VAL A2074 -9.165 -1.212 -6.241 1.00 0.27 H new ATOM 0 HG11 VAL A2074 -7.167 -0.846 -4.806 1.00 0.78 H new ATOM 0 HG12 VAL A2074 -6.838 -0.512 -6.523 1.00 0.78 H new ATOM 0 HG13 VAL A2074 -7.088 0.834 -5.387 1.00 0.78 H new ATOM 0 HG21 VAL A2074 -9.341 -0.570 -3.873 1.00 0.72 H new ATOM 0 HG22 VAL A2074 -9.393 1.142 -4.357 1.00 0.72 H new ATOM 0 HG23 VAL A2074 -10.697 0.038 -4.853 1.00 0.72 H new ATOM 425 N LEU A2075 -10.859 2.289 -6.357 1.00 0.27 N ATOM 426 CA LEU A2075 -12.169 2.919 -6.274 1.00 0.37 C ATOM 427 C LEU A2075 -12.372 3.907 -7.422 1.00 0.42 C ATOM 428 O LEU A2075 -13.430 3.916 -8.054 1.00 1.24 O ATOM 429 CB LEU A2075 -12.324 3.626 -4.924 1.00 0.44 C ATOM 430 CG LEU A2075 -12.054 2.733 -3.713 1.00 0.51 C ATOM 431 CD1 LEU A2075 -12.272 3.488 -2.418 1.00 0.89 C ATOM 432 CD2 LEU A2075 -12.931 1.498 -3.768 1.00 1.04 C ATOM 0 H LEU A2075 -10.123 2.785 -5.853 1.00 0.27 H new ATOM 0 HA LEU A2075 -12.932 2.145 -6.358 1.00 0.37 H new ATOM 0 HB2 LEU A2075 -11.644 4.477 -4.892 1.00 0.44 H new ATOM 0 HB3 LEU A2075 -13.336 4.024 -4.849 1.00 0.44 H new ATOM 0 HG LEU A2075 -11.010 2.422 -3.744 1.00 0.51 H new ATOM 0 HD11 LEU A2075 -12.073 2.828 -1.574 1.00 0.89 H new ATOM 0 HD12 LEU A2075 -11.597 4.343 -2.377 1.00 0.89 H new ATOM 0 HD13 LEU A2075 -13.303 3.837 -2.370 1.00 0.89 H new ATOM 0 HD21 LEU A2075 -12.730 0.870 -2.900 1.00 1.04 H new ATOM 0 HD22 LEU A2075 -13.980 1.796 -3.765 1.00 1.04 H new ATOM 0 HD23 LEU A2075 -12.715 0.939 -4.679 1.00 1.04 H new ATOM 444 N GLY A2076 -11.356 4.713 -7.703 1.00 1.16 N ATOM 445 CA GLY A2076 -11.473 5.737 -8.730 1.00 1.30 C ATOM 446 C GLY A2076 -12.410 6.841 -8.297 1.00 0.86 C ATOM 447 O GLY A2076 -13.562 6.888 -8.734 1.00 1.11 O ATOM 0 H GLY A2076 -10.449 4.678 -7.238 1.00 1.16 H new ATOM 0 HA2 GLY A2076 -10.489 6.155 -8.945 1.00 1.30 H new ATOM 0 HA3 GLY A2076 -11.837 5.289 -9.654 1.00 1.30 H new ATOM 451 N HIS A2077 -11.927 7.735 -7.438 1.00 0.88 N ATOM 452 CA HIS A2077 -12.817 8.697 -6.793 1.00 0.79 C ATOM 453 C HIS A2077 -12.069 9.803 -6.041 1.00 1.18 C ATOM 454 O HIS A2077 -12.702 10.707 -5.498 1.00 2.09 O ATOM 455 CB HIS A2077 -13.740 7.958 -5.805 1.00 1.03 C ATOM 456 CG HIS A2077 -13.047 7.422 -4.571 1.00 0.93 C ATOM 457 ND1 HIS A2077 -11.678 7.229 -4.483 1.00 1.17 N ATOM 458 CD2 HIS A2077 -13.543 7.074 -3.360 1.00 0.89 C ATOM 459 CE1 HIS A2077 -11.368 6.798 -3.274 1.00 1.04 C ATOM 460 NE2 HIS A2077 -12.482 6.696 -2.573 1.00 0.92 N ATOM 0 H HIS A2077 -10.944 7.814 -7.176 1.00 0.88 H new ATOM 0 HA HIS A2077 -13.390 9.176 -7.587 1.00 0.79 H new ATOM 0 HB2 HIS A2077 -14.534 8.637 -5.493 1.00 1.03 H new ATOM 0 HB3 HIS A2077 -14.217 7.128 -6.326 1.00 1.03 H new ATOM 0 HD2 HIS A2077 -14.582 7.091 -3.066 1.00 0.89 H new ATOM 0 HE1 HIS A2077 -10.374 6.568 -2.920 1.00 1.04 H new ATOM 0 HE2 HIS A2077 -12.545 6.386 -1.603 1.00 0.92 H new ATOM 469 N HIS A2078 -10.743 9.746 -5.991 1.00 1.15 N ATOM 470 CA HIS A2078 -10.012 10.618 -5.077 1.00 1.82 C ATOM 471 C HIS A2078 -8.573 10.834 -5.519 1.00 1.20 C ATOM 472 O HIS A2078 -7.918 9.922 -6.011 1.00 1.46 O ATOM 473 CB HIS A2078 -10.037 10.010 -3.670 1.00 2.98 C ATOM 474 CG HIS A2078 -9.648 10.957 -2.577 1.00 4.08 C ATOM 475 ND1 HIS A2078 -10.482 11.951 -2.121 1.00 5.04 N ATOM 476 CD2 HIS A2078 -8.522 11.042 -1.828 1.00 4.50 C ATOM 477 CE1 HIS A2078 -9.892 12.607 -1.146 1.00 5.96 C ATOM 478 NE2 HIS A2078 -8.703 12.076 -0.946 1.00 5.67 N ATOM 0 H HIS A2078 -10.164 9.124 -6.555 1.00 1.15 H new ATOM 0 HA HIS A2078 -10.502 11.592 -5.078 1.00 1.82 H new ATOM 0 HB2 HIS A2078 -11.040 9.634 -3.468 1.00 2.98 H new ATOM 0 HB3 HIS A2078 -9.365 9.152 -3.647 1.00 2.98 H new ATOM 0 HD2 HIS A2078 -7.647 10.414 -1.910 1.00 4.50 H new ATOM 0 HE1 HIS A2078 -10.311 13.440 -0.601 1.00 5.96 H new ATOM 0 HE2 HIS A2078 -8.026 12.384 -0.248 1.00 5.67 H new ATOM 487 N THR A2079 -8.101 12.056 -5.338 1.00 1.12 N ATOM 488 CA THR A2079 -6.711 12.394 -5.572 1.00 0.78 C ATOM 489 C THR A2079 -5.837 11.736 -4.501 1.00 0.67 C ATOM 490 O THR A2079 -6.117 11.860 -3.308 1.00 0.86 O ATOM 491 CB THR A2079 -6.532 13.924 -5.521 1.00 1.25 C ATOM 492 OG1 THR A2079 -7.484 14.551 -6.393 1.00 1.52 O ATOM 493 CG2 THR A2079 -5.126 14.334 -5.922 1.00 1.42 C ATOM 0 H THR A2079 -8.673 12.841 -5.025 1.00 1.12 H new ATOM 0 HA THR A2079 -6.412 12.031 -6.555 1.00 0.78 H new ATOM 0 HB THR A2079 -6.698 14.248 -4.494 1.00 1.25 H new ATOM 0 HG1 THR A2079 -7.369 15.524 -6.357 1.00 1.52 H new ATOM 0 HG21 THR A2079 -5.036 15.419 -5.875 1.00 1.42 H new ATOM 0 HG22 THR A2079 -4.406 13.880 -5.241 1.00 1.42 H new ATOM 0 HG23 THR A2079 -4.925 13.997 -6.939 1.00 1.42 H new ATOM 501 N PRO A2080 -4.753 11.048 -4.903 1.00 0.48 N ATOM 502 CA PRO A2080 -3.925 10.261 -3.980 1.00 0.48 C ATOM 503 C PRO A2080 -3.189 11.162 -3.010 1.00 0.69 C ATOM 504 O PRO A2080 -2.843 10.776 -1.897 1.00 0.70 O ATOM 505 CB PRO A2080 -2.916 9.555 -4.895 1.00 0.56 C ATOM 506 CG PRO A2080 -3.432 9.740 -6.282 1.00 0.56 C ATOM 507 CD PRO A2080 -4.206 11.022 -6.263 1.00 0.50 C ATOM 0 HA PRO A2080 -4.520 9.573 -3.380 1.00 0.48 H new ATOM 0 HB2 PRO A2080 -1.921 9.986 -4.787 1.00 0.56 H new ATOM 0 HB3 PRO A2080 -2.834 8.497 -4.645 1.00 0.56 H new ATOM 0 HG2 PRO A2080 -2.614 9.788 -7.000 1.00 0.56 H new ATOM 0 HG3 PRO A2080 -4.067 8.905 -6.578 1.00 0.56 H new ATOM 0 HD2 PRO A2080 -3.568 11.883 -6.459 1.00 0.50 H new ATOM 0 HD3 PRO A2080 -4.994 11.031 -7.016 1.00 0.50 H new ATOM 515 N GLU A2081 -2.971 12.382 -3.460 1.00 0.93 N ATOM 516 CA GLU A2081 -2.303 13.403 -2.679 1.00 1.22 C ATOM 517 C GLU A2081 -3.146 13.788 -1.467 1.00 1.21 C ATOM 518 O GLU A2081 -2.646 14.341 -0.489 1.00 1.32 O ATOM 519 CB GLU A2081 -2.087 14.622 -3.568 1.00 1.52 C ATOM 520 CG GLU A2081 -1.459 14.292 -4.900 1.00 2.12 C ATOM 521 CD GLU A2081 -1.111 15.526 -5.698 1.00 2.46 C ATOM 522 OE1 GLU A2081 0.069 15.931 -5.691 1.00 2.53 O ATOM 523 OE2 GLU A2081 -2.018 16.106 -6.334 1.00 2.96 O ATOM 0 H GLU A2081 -3.256 12.695 -4.388 1.00 0.93 H new ATOM 0 HA GLU A2081 -1.347 13.022 -2.319 1.00 1.22 H new ATOM 0 HB2 GLU A2081 -3.046 15.112 -3.739 1.00 1.52 H new ATOM 0 HB3 GLU A2081 -1.453 15.337 -3.043 1.00 1.52 H new ATOM 0 HG2 GLU A2081 -0.557 13.703 -4.736 1.00 2.12 H new ATOM 0 HG3 GLU A2081 -2.144 13.672 -5.477 1.00 2.12 H new ATOM 530 N SER A2082 -4.429 13.471 -1.542 1.00 1.13 N ATOM 531 CA SER A2082 -5.383 13.881 -0.533 1.00 1.23 C ATOM 532 C SER A2082 -5.876 12.677 0.287 1.00 0.99 C ATOM 533 O SER A2082 -6.879 12.762 0.995 1.00 1.06 O ATOM 534 CB SER A2082 -6.541 14.612 -1.230 1.00 1.44 C ATOM 535 OG SER A2082 -7.553 15.014 -0.323 1.00 1.70 O ATOM 0 H SER A2082 -4.834 12.924 -2.302 1.00 1.13 H new ATOM 0 HA SER A2082 -4.906 14.559 0.175 1.00 1.23 H new ATOM 0 HB2 SER A2082 -6.153 15.489 -1.749 1.00 1.44 H new ATOM 0 HB3 SER A2082 -6.975 13.959 -1.988 1.00 1.44 H new ATOM 0 HG SER A2082 -7.612 14.366 0.410 1.00 1.70 H new ATOM 541 N ILE A2083 -5.178 11.550 0.185 1.00 0.76 N ATOM 542 CA ILE A2083 -5.515 10.371 0.977 1.00 0.55 C ATOM 543 C ILE A2083 -4.972 10.519 2.396 1.00 0.43 C ATOM 544 O ILE A2083 -3.765 10.654 2.593 1.00 0.46 O ATOM 545 CB ILE A2083 -4.946 9.089 0.342 1.00 0.45 C ATOM 546 CG1 ILE A2083 -5.495 8.915 -1.074 1.00 0.58 C ATOM 547 CG2 ILE A2083 -5.255 7.869 1.209 1.00 0.42 C ATOM 548 CD1 ILE A2083 -6.815 8.208 -1.131 1.00 0.47 C ATOM 0 H ILE A2083 -4.378 11.428 -0.436 1.00 0.76 H new ATOM 0 HA ILE A2083 -6.602 10.289 1.006 1.00 0.55 H new ATOM 0 HB ILE A2083 -3.862 9.182 0.280 1.00 0.45 H new ATOM 0 HG12 ILE A2083 -5.600 9.897 -1.536 1.00 0.58 H new ATOM 0 HG13 ILE A2083 -4.770 8.359 -1.668 1.00 0.58 H new ATOM 0 HG21 ILE A2083 -4.843 6.975 0.740 1.00 0.42 H new ATOM 0 HG22 ILE A2083 -4.808 8.000 2.194 1.00 0.42 H new ATOM 0 HG23 ILE A2083 -6.335 7.760 1.312 1.00 0.42 H new ATOM 0 HD11 ILE A2083 -7.138 8.123 -2.169 1.00 0.47 H new ATOM 0 HD12 ILE A2083 -6.713 7.212 -0.700 1.00 0.47 H new ATOM 0 HD13 ILE A2083 -7.555 8.774 -0.566 1.00 0.47 H new ATOM 560 N SER A2084 -5.863 10.514 3.376 1.00 0.38 N ATOM 561 CA SER A2084 -5.464 10.684 4.765 1.00 0.32 C ATOM 562 C SER A2084 -4.959 9.369 5.355 1.00 0.29 C ATOM 563 O SER A2084 -5.621 8.336 5.264 1.00 0.31 O ATOM 564 CB SER A2084 -6.632 11.217 5.584 1.00 0.36 C ATOM 565 OG SER A2084 -7.144 12.414 5.017 1.00 0.42 O ATOM 0 H SER A2084 -6.866 10.394 3.235 1.00 0.38 H new ATOM 0 HA SER A2084 -4.648 11.405 4.800 1.00 0.32 H new ATOM 0 HB2 SER A2084 -7.421 10.466 5.632 1.00 0.36 H new ATOM 0 HB3 SER A2084 -6.308 11.404 6.608 1.00 0.36 H new ATOM 0 HG SER A2084 -7.894 12.737 5.558 1.00 0.42 H new ATOM 571 N PRO A2085 -3.771 9.409 5.976 1.00 0.29 N ATOM 572 CA PRO A2085 -3.085 8.218 6.496 1.00 0.28 C ATOM 573 C PRO A2085 -3.756 7.586 7.715 1.00 0.28 C ATOM 574 O PRO A2085 -3.703 6.371 7.891 1.00 0.33 O ATOM 575 CB PRO A2085 -1.711 8.761 6.887 1.00 0.32 C ATOM 576 CG PRO A2085 -1.980 10.184 7.225 1.00 0.36 C ATOM 577 CD PRO A2085 -2.985 10.635 6.214 1.00 0.36 C ATOM 0 HA PRO A2085 -3.078 7.420 5.754 1.00 0.28 H new ATOM 0 HB2 PRO A2085 -1.293 8.220 7.736 1.00 0.32 H new ATOM 0 HB3 PRO A2085 -0.997 8.672 6.068 1.00 0.32 H new ATOM 0 HG2 PRO A2085 -2.368 10.283 8.239 1.00 0.36 H new ATOM 0 HG3 PRO A2085 -1.070 10.782 7.172 1.00 0.36 H new ATOM 0 HD2 PRO A2085 -3.605 11.447 6.593 1.00 0.36 H new ATOM 0 HD3 PRO A2085 -2.509 10.996 5.302 1.00 0.36 H new ATOM 585 N ALA A2086 -4.371 8.403 8.558 1.00 0.30 N ATOM 586 CA ALA A2086 -4.937 7.911 9.811 1.00 0.36 C ATOM 587 C ALA A2086 -6.306 7.270 9.607 1.00 0.30 C ATOM 588 O ALA A2086 -6.816 6.586 10.498 1.00 0.28 O ATOM 589 CB ALA A2086 -5.030 9.035 10.829 1.00 0.47 C ATOM 0 H ALA A2086 -4.492 9.404 8.401 1.00 0.30 H new ATOM 0 HA ALA A2086 -4.266 7.140 10.189 1.00 0.36 H new ATOM 0 HB1 ALA A2086 -5.454 8.651 11.757 1.00 0.47 H new ATOM 0 HB2 ALA A2086 -4.034 9.434 11.023 1.00 0.47 H new ATOM 0 HB3 ALA A2086 -5.669 9.827 10.439 1.00 0.47 H new ATOM 595 N THR A2087 -6.896 7.487 8.443 1.00 0.32 N ATOM 596 CA THR A2087 -8.219 6.959 8.152 1.00 0.28 C ATOM 597 C THR A2087 -8.141 5.489 7.744 1.00 0.24 C ATOM 598 O THR A2087 -7.119 5.018 7.246 1.00 0.28 O ATOM 599 CB THR A2087 -8.889 7.756 7.023 1.00 0.32 C ATOM 600 OG1 THR A2087 -8.582 9.150 7.165 1.00 0.39 O ATOM 601 CG2 THR A2087 -10.399 7.570 7.047 1.00 0.34 C ATOM 0 H THR A2087 -6.479 8.026 7.684 1.00 0.32 H new ATOM 0 HA THR A2087 -8.814 7.050 9.061 1.00 0.28 H new ATOM 0 HB THR A2087 -8.506 7.386 6.072 1.00 0.32 H new ATOM 0 HG1 THR A2087 -9.177 9.676 6.591 1.00 0.39 H new ATOM 0 HG21 THR A2087 -10.849 8.145 6.238 1.00 0.34 H new ATOM 0 HG22 THR A2087 -10.638 6.514 6.919 1.00 0.34 H new ATOM 0 HG23 THR A2087 -10.793 7.918 8.002 1.00 0.34 H new ATOM 609 N ALA A2088 -9.233 4.780 7.957 1.00 0.23 N ATOM 610 CA ALA A2088 -9.323 3.371 7.612 1.00 0.25 C ATOM 611 C ALA A2088 -9.806 3.220 6.183 1.00 0.22 C ATOM 612 O ALA A2088 -10.676 3.969 5.739 1.00 0.25 O ATOM 613 CB ALA A2088 -10.282 2.665 8.555 1.00 0.32 C ATOM 0 H ALA A2088 -10.082 5.162 8.373 1.00 0.23 H new ATOM 0 HA ALA A2088 -8.335 2.920 7.706 1.00 0.25 H new ATOM 0 HB1 ALA A2088 -10.343 1.610 8.289 1.00 0.32 H new ATOM 0 HB2 ALA A2088 -9.922 2.761 9.579 1.00 0.32 H new ATOM 0 HB3 ALA A2088 -11.270 3.117 8.474 1.00 0.32 H new ATOM 619 N PHE A2089 -9.251 2.243 5.464 1.00 0.21 N ATOM 620 CA PHE A2089 -9.680 1.960 4.092 1.00 0.20 C ATOM 621 C PHE A2089 -11.174 1.696 4.037 1.00 0.24 C ATOM 622 O PHE A2089 -11.821 1.956 3.025 1.00 0.26 O ATOM 623 CB PHE A2089 -8.911 0.776 3.507 1.00 0.21 C ATOM 624 CG PHE A2089 -7.535 1.142 3.062 1.00 0.21 C ATOM 625 CD1 PHE A2089 -7.342 2.154 2.137 1.00 0.40 C ATOM 626 CD2 PHE A2089 -6.438 0.491 3.575 1.00 0.44 C ATOM 627 CE1 PHE A2089 -6.071 2.507 1.737 1.00 0.43 C ATOM 628 CE2 PHE A2089 -5.166 0.834 3.175 1.00 0.48 C ATOM 629 CZ PHE A2089 -4.981 1.844 2.256 1.00 0.34 C ATOM 0 H PHE A2089 -8.506 1.636 5.807 1.00 0.21 H new ATOM 0 HA PHE A2089 -9.461 2.841 3.489 1.00 0.20 H new ATOM 0 HB2 PHE A2089 -8.848 -0.015 4.254 1.00 0.21 H new ATOM 0 HB3 PHE A2089 -9.466 0.371 2.661 1.00 0.21 H new ATOM 0 HD1 PHE A2089 -8.196 2.672 1.725 1.00 0.40 H new ATOM 0 HD2 PHE A2089 -6.576 -0.298 4.300 1.00 0.44 H new ATOM 0 HE1 PHE A2089 -5.930 3.301 1.019 1.00 0.43 H new ATOM 0 HE2 PHE A2089 -4.313 0.311 3.582 1.00 0.48 H new ATOM 0 HZ PHE A2089 -3.983 2.115 1.943 1.00 0.34 H new ATOM 639 N LYS A2090 -11.703 1.184 5.139 1.00 0.30 N ATOM 640 CA LYS A2090 -13.133 1.028 5.325 1.00 0.40 C ATOM 641 C LYS A2090 -13.853 2.318 4.950 1.00 0.37 C ATOM 642 O LYS A2090 -14.796 2.327 4.159 1.00 0.47 O ATOM 643 CB LYS A2090 -13.394 0.723 6.798 1.00 0.55 C ATOM 644 CG LYS A2090 -14.541 -0.232 7.046 1.00 1.19 C ATOM 645 CD LYS A2090 -15.884 0.354 6.645 1.00 1.79 C ATOM 646 CE LYS A2090 -16.254 1.560 7.493 1.00 2.14 C ATOM 647 NZ LYS A2090 -17.606 2.077 7.149 1.00 2.91 N ATOM 0 H LYS A2090 -11.147 0.864 5.932 1.00 0.30 H new ATOM 0 HA LYS A2090 -13.500 0.220 4.692 1.00 0.40 H new ATOM 0 HB2 LYS A2090 -12.488 0.304 7.236 1.00 0.55 H new ATOM 0 HB3 LYS A2090 -13.597 1.658 7.319 1.00 0.55 H new ATOM 0 HG2 LYS A2090 -14.369 -1.153 6.489 1.00 1.19 H new ATOM 0 HG3 LYS A2090 -14.566 -0.498 8.103 1.00 1.19 H new ATOM 0 HD2 LYS A2090 -15.854 0.644 5.595 1.00 1.79 H new ATOM 0 HD3 LYS A2090 -16.656 -0.409 6.743 1.00 1.79 H new ATOM 0 HE2 LYS A2090 -16.226 1.286 8.548 1.00 2.14 H new ATOM 0 HE3 LYS A2090 -15.515 2.348 7.348 1.00 2.14 H new ATOM 0 HZ1 LYS A2090 -17.826 2.899 7.747 1.00 2.91 H new ATOM 0 HZ2 LYS A2090 -17.625 2.361 6.149 1.00 2.91 H new ATOM 0 HZ3 LYS A2090 -18.314 1.333 7.311 1.00 2.91 H new ATOM 661 N ASP A2091 -13.372 3.401 5.531 1.00 0.33 N ATOM 662 CA ASP A2091 -13.968 4.716 5.357 1.00 0.35 C ATOM 663 C ASP A2091 -13.686 5.287 3.968 1.00 0.33 C ATOM 664 O ASP A2091 -14.530 5.976 3.395 1.00 0.39 O ATOM 665 CB ASP A2091 -13.440 5.667 6.427 1.00 0.38 C ATOM 666 CG ASP A2091 -14.196 6.975 6.456 1.00 1.03 C ATOM 667 OD1 ASP A2091 -13.749 7.945 5.813 1.00 1.88 O ATOM 668 OD2 ASP A2091 -15.246 7.035 7.128 1.00 1.04 O ATOM 0 H ASP A2091 -12.554 3.395 6.140 1.00 0.33 H new ATOM 0 HA ASP A2091 -15.048 4.610 5.458 1.00 0.35 H new ATOM 0 HB2 ASP A2091 -13.511 5.187 7.403 1.00 0.38 H new ATOM 0 HB3 ASP A2091 -12.384 5.865 6.245 1.00 0.38 H new ATOM 673 N LEU A2092 -12.501 5.003 3.422 1.00 0.30 N ATOM 674 CA LEU A2092 -12.136 5.514 2.103 1.00 0.32 C ATOM 675 C LEU A2092 -12.991 4.884 1.005 1.00 0.30 C ATOM 676 O LEU A2092 -13.116 5.444 -0.088 1.00 0.36 O ATOM 677 CB LEU A2092 -10.651 5.271 1.798 1.00 0.34 C ATOM 678 CG LEU A2092 -9.645 6.217 2.479 1.00 0.35 C ATOM 679 CD1 LEU A2092 -10.280 7.556 2.825 1.00 0.73 C ATOM 680 CD2 LEU A2092 -9.035 5.574 3.711 1.00 0.61 C ATOM 0 H LEU A2092 -11.786 4.428 3.869 1.00 0.30 H new ATOM 0 HA LEU A2092 -12.320 6.588 2.120 1.00 0.32 H new ATOM 0 HB2 LEU A2092 -10.407 4.249 2.086 1.00 0.34 H new ATOM 0 HB3 LEU A2092 -10.509 5.341 0.720 1.00 0.34 H new ATOM 0 HG LEU A2092 -8.844 6.406 1.764 1.00 0.35 H new ATOM 0 HD11 LEU A2092 -9.540 8.197 3.304 1.00 0.73 H new ATOM 0 HD12 LEU A2092 -10.639 8.035 1.914 1.00 0.73 H new ATOM 0 HD13 LEU A2092 -11.117 7.397 3.505 1.00 0.73 H new ATOM 0 HD21 LEU A2092 -8.329 6.266 4.170 1.00 0.61 H new ATOM 0 HD22 LEU A2092 -9.824 5.333 4.424 1.00 0.61 H new ATOM 0 HD23 LEU A2092 -8.514 4.660 3.424 1.00 0.61 H new ATOM 692 N GLY A2093 -13.578 3.727 1.293 1.00 0.26 N ATOM 693 CA GLY A2093 -14.484 3.101 0.348 1.00 0.26 C ATOM 694 C GLY A2093 -14.058 1.698 -0.022 1.00 0.22 C ATOM 695 O GLY A2093 -14.597 1.102 -0.955 1.00 0.27 O ATOM 0 H GLY A2093 -13.443 3.212 2.163 1.00 0.26 H new ATOM 0 HA2 GLY A2093 -15.486 3.072 0.776 1.00 0.26 H new ATOM 0 HA3 GLY A2093 -14.540 3.710 -0.554 1.00 0.26 H new ATOM 699 N ILE A2094 -13.092 1.174 0.707 1.00 0.22 N ATOM 700 CA ILE A2094 -12.560 -0.152 0.446 1.00 0.19 C ATOM 701 C ILE A2094 -13.448 -1.230 1.045 1.00 0.18 C ATOM 702 O ILE A2094 -13.770 -1.194 2.235 1.00 0.22 O ATOM 703 CB ILE A2094 -11.137 -0.286 1.020 1.00 0.19 C ATOM 704 CG1 ILE A2094 -10.186 0.646 0.276 1.00 0.24 C ATOM 705 CG2 ILE A2094 -10.635 -1.728 0.955 1.00 0.21 C ATOM 706 CD1 ILE A2094 -10.118 0.383 -1.207 1.00 0.28 C ATOM 0 H ILE A2094 -12.654 1.652 1.494 1.00 0.22 H new ATOM 0 HA ILE A2094 -12.529 -0.285 -0.635 1.00 0.19 H new ATOM 0 HB ILE A2094 -11.170 -0.000 2.071 1.00 0.19 H new ATOM 0 HG12 ILE A2094 -10.500 1.677 0.439 1.00 0.24 H new ATOM 0 HG13 ILE A2094 -9.187 0.546 0.700 1.00 0.24 H new ATOM 0 HG21 ILE A2094 -9.628 -1.782 1.369 1.00 0.21 H new ATOM 0 HG22 ILE A2094 -11.299 -2.371 1.532 1.00 0.21 H new ATOM 0 HG23 ILE A2094 -10.619 -2.061 -0.083 1.00 0.21 H new ATOM 0 HD11 ILE A2094 -9.423 1.084 -1.669 1.00 0.28 H new ATOM 0 HD12 ILE A2094 -9.775 -0.637 -1.380 1.00 0.28 H new ATOM 0 HD13 ILE A2094 -11.108 0.512 -1.645 1.00 0.28 H new ATOM 718 N ASP A2095 -13.850 -2.173 0.213 1.00 0.19 N ATOM 719 CA ASP A2095 -14.577 -3.346 0.679 1.00 0.26 C ATOM 720 C ASP A2095 -13.668 -4.552 0.541 1.00 0.21 C ATOM 721 O ASP A2095 -12.486 -4.395 0.257 1.00 0.23 O ATOM 722 CB ASP A2095 -15.861 -3.584 -0.125 1.00 0.40 C ATOM 723 CG ASP A2095 -16.789 -2.384 -0.155 1.00 0.77 C ATOM 724 OD1 ASP A2095 -17.337 -2.030 0.911 1.00 0.94 O ATOM 725 OD2 ASP A2095 -16.973 -1.784 -1.235 1.00 1.07 O ATOM 0 H ASP A2095 -13.686 -2.152 -0.793 1.00 0.19 H new ATOM 0 HA ASP A2095 -14.867 -3.185 1.717 1.00 0.26 H new ATOM 0 HB2 ASP A2095 -15.595 -3.853 -1.147 1.00 0.40 H new ATOM 0 HB3 ASP A2095 -16.394 -4.435 0.300 1.00 0.40 H new ATOM 730 N SER A2096 -14.200 -5.751 0.705 1.00 0.30 N ATOM 731 CA SER A2096 -13.382 -6.942 0.514 1.00 0.35 C ATOM 732 C SER A2096 -13.072 -7.130 -0.965 1.00 0.30 C ATOM 733 O SER A2096 -12.069 -7.741 -1.340 1.00 0.38 O ATOM 734 CB SER A2096 -14.098 -8.171 1.071 1.00 0.51 C ATOM 735 OG SER A2096 -15.462 -7.816 1.345 1.00 0.85 O ATOM 0 H SER A2096 -15.171 -5.927 0.964 1.00 0.30 H new ATOM 0 HA SER A2096 -12.444 -6.816 1.054 1.00 0.35 H new ATOM 0 HB2 SER A2096 -14.056 -8.991 0.354 1.00 0.51 H new ATOM 0 HB3 SER A2096 -13.606 -8.517 1.980 1.00 0.51 H new ATOM 740 N LEU A2097 -13.941 -6.572 -1.795 1.00 0.29 N ATOM 741 CA LEU A2097 -13.789 -6.633 -3.243 1.00 0.35 C ATOM 742 C LEU A2097 -12.567 -5.856 -3.680 1.00 0.26 C ATOM 743 O LEU A2097 -11.687 -6.370 -4.367 1.00 0.35 O ATOM 744 CB LEU A2097 -15.018 -6.037 -3.926 1.00 0.50 C ATOM 745 CG LEU A2097 -16.342 -6.610 -3.476 1.00 1.06 C ATOM 746 CD1 LEU A2097 -17.504 -5.852 -4.095 1.00 1.39 C ATOM 747 CD2 LEU A2097 -16.392 -8.063 -3.843 1.00 1.65 C ATOM 0 H LEU A2097 -14.770 -6.065 -1.485 1.00 0.29 H new ATOM 0 HA LEU A2097 -13.677 -7.679 -3.528 1.00 0.35 H new ATOM 0 HB2 LEU A2097 -15.027 -4.961 -3.750 1.00 0.50 H new ATOM 0 HB3 LEU A2097 -14.923 -6.183 -5.002 1.00 0.50 H new ATOM 0 HG LEU A2097 -16.431 -6.507 -2.395 1.00 1.06 H new ATOM 0 HD11 LEU A2097 -18.444 -6.286 -3.754 1.00 1.39 H new ATOM 0 HD12 LEU A2097 -17.457 -4.805 -3.794 1.00 1.39 H new ATOM 0 HD13 LEU A2097 -17.446 -5.921 -5.181 1.00 1.39 H new ATOM 0 HD21 LEU A2097 -17.344 -8.487 -3.523 1.00 1.65 H new ATOM 0 HD22 LEU A2097 -16.293 -8.169 -4.923 1.00 1.65 H new ATOM 0 HD23 LEU A2097 -15.576 -8.591 -3.350 1.00 1.65 H new ATOM 759 N THR A2098 -12.531 -4.606 -3.280 1.00 0.19 N ATOM 760 CA THR A2098 -11.453 -3.714 -3.662 1.00 0.16 C ATOM 761 C THR A2098 -10.225 -3.883 -2.781 1.00 0.15 C ATOM 762 O THR A2098 -9.142 -3.407 -3.123 1.00 0.19 O ATOM 763 CB THR A2098 -11.923 -2.258 -3.645 1.00 0.21 C ATOM 764 OG1 THR A2098 -12.788 -2.036 -2.525 1.00 0.26 O ATOM 765 CG2 THR A2098 -12.645 -1.938 -4.941 1.00 0.27 C ATOM 0 H THR A2098 -13.241 -4.178 -2.685 1.00 0.19 H new ATOM 0 HA THR A2098 -11.164 -3.982 -4.678 1.00 0.16 H new ATOM 0 HB THR A2098 -11.058 -1.602 -3.552 1.00 0.21 H new ATOM 0 HG1 THR A2098 -13.327 -1.233 -2.682 1.00 0.26 H new ATOM 0 HG21 THR A2098 -12.978 -0.900 -4.925 1.00 0.27 H new ATOM 0 HG22 THR A2098 -11.968 -2.089 -5.782 1.00 0.27 H new ATOM 0 HG23 THR A2098 -13.508 -2.595 -5.048 1.00 0.27 H new ATOM 773 N ALA A2099 -10.391 -4.565 -1.656 1.00 0.15 N ATOM 774 CA ALA A2099 -9.266 -4.899 -0.794 1.00 0.19 C ATOM 775 C ALA A2099 -8.214 -5.687 -1.569 1.00 0.22 C ATOM 776 O ALA A2099 -7.015 -5.440 -1.437 1.00 0.29 O ATOM 777 CB ALA A2099 -9.738 -5.682 0.425 1.00 0.21 C ATOM 0 H ALA A2099 -11.294 -4.898 -1.319 1.00 0.15 H new ATOM 0 HA ALA A2099 -8.811 -3.971 -0.447 1.00 0.19 H new ATOM 0 HB1 ALA A2099 -8.883 -5.922 1.057 1.00 0.21 H new ATOM 0 HB2 ALA A2099 -10.449 -5.080 0.991 1.00 0.21 H new ATOM 0 HB3 ALA A2099 -10.220 -6.604 0.101 1.00 0.21 H new ATOM 783 N LEU A2100 -8.663 -6.613 -2.407 1.00 0.22 N ATOM 784 CA LEU A2100 -7.739 -7.418 -3.190 1.00 0.27 C ATOM 785 C LEU A2100 -7.159 -6.605 -4.344 1.00 0.26 C ATOM 786 O LEU A2100 -5.989 -6.751 -4.682 1.00 0.29 O ATOM 787 CB LEU A2100 -8.410 -8.713 -3.685 1.00 0.31 C ATOM 788 CG LEU A2100 -9.689 -8.556 -4.516 1.00 0.33 C ATOM 789 CD1 LEU A2100 -9.370 -8.328 -5.984 1.00 0.36 C ATOM 790 CD2 LEU A2100 -10.575 -9.776 -4.352 1.00 0.40 C ATOM 0 H LEU A2100 -9.649 -6.823 -2.560 1.00 0.22 H new ATOM 0 HA LEU A2100 -6.911 -7.712 -2.544 1.00 0.27 H new ATOM 0 HB2 LEU A2100 -7.684 -9.265 -4.281 1.00 0.31 H new ATOM 0 HB3 LEU A2100 -8.643 -9.328 -2.816 1.00 0.31 H new ATOM 0 HG LEU A2100 -10.222 -7.679 -4.150 1.00 0.33 H new ATOM 0 HD11 LEU A2100 -10.298 -8.221 -6.546 1.00 0.36 H new ATOM 0 HD12 LEU A2100 -8.775 -7.421 -6.090 1.00 0.36 H new ATOM 0 HD13 LEU A2100 -8.808 -9.178 -6.371 1.00 0.36 H new ATOM 0 HD21 LEU A2100 -11.480 -9.651 -4.947 1.00 0.40 H new ATOM 0 HD22 LEU A2100 -10.039 -10.663 -4.688 1.00 0.40 H new ATOM 0 HD23 LEU A2100 -10.845 -9.891 -3.302 1.00 0.40 H new ATOM 802 N GLU A2101 -7.977 -5.730 -4.925 1.00 0.24 N ATOM 803 CA GLU A2101 -7.543 -4.859 -6.012 1.00 0.26 C ATOM 804 C GLU A2101 -6.462 -3.896 -5.540 1.00 0.24 C ATOM 805 O GLU A2101 -5.504 -3.618 -6.263 1.00 0.27 O ATOM 806 CB GLU A2101 -8.746 -4.085 -6.539 1.00 0.29 C ATOM 807 CG GLU A2101 -9.853 -4.985 -7.047 1.00 0.35 C ATOM 808 CD GLU A2101 -9.568 -5.537 -8.430 1.00 0.50 C ATOM 809 OE1 GLU A2101 -10.117 -5.007 -9.418 1.00 0.72 O ATOM 810 OE2 GLU A2101 -8.788 -6.505 -8.535 1.00 0.56 O ATOM 0 H GLU A2101 -8.953 -5.606 -4.657 1.00 0.24 H new ATOM 0 HA GLU A2101 -7.120 -5.470 -6.809 1.00 0.26 H new ATOM 0 HB2 GLU A2101 -9.138 -3.449 -5.745 1.00 0.29 H new ATOM 0 HB3 GLU A2101 -8.422 -3.426 -7.345 1.00 0.29 H new ATOM 0 HG2 GLU A2101 -9.991 -5.812 -6.351 1.00 0.35 H new ATOM 0 HG3 GLU A2101 -10.789 -4.427 -7.069 1.00 0.35 H new ATOM 817 N LEU A2102 -6.631 -3.377 -4.335 1.00 0.21 N ATOM 818 CA LEU A2102 -5.627 -2.529 -3.719 1.00 0.22 C ATOM 819 C LEU A2102 -4.320 -3.296 -3.540 1.00 0.24 C ATOM 820 O LEU A2102 -3.260 -2.842 -3.970 1.00 0.27 O ATOM 821 CB LEU A2102 -6.137 -2.040 -2.371 1.00 0.24 C ATOM 822 CG LEU A2102 -5.812 -0.590 -2.036 1.00 0.28 C ATOM 823 CD1 LEU A2102 -6.466 -0.218 -0.733 1.00 0.65 C ATOM 824 CD2 LEU A2102 -4.317 -0.362 -1.955 1.00 0.57 C ATOM 0 H LEU A2102 -7.461 -3.530 -3.762 1.00 0.21 H new ATOM 0 HA LEU A2102 -5.437 -1.673 -4.366 1.00 0.22 H new ATOM 0 HB2 LEU A2102 -7.219 -2.168 -2.343 1.00 0.24 H new ATOM 0 HB3 LEU A2102 -5.720 -2.677 -1.591 1.00 0.24 H new ATOM 0 HG LEU A2102 -6.199 0.043 -2.835 1.00 0.28 H new ATOM 0 HD11 LEU A2102 -6.234 0.819 -0.493 1.00 0.65 H new ATOM 0 HD12 LEU A2102 -7.546 -0.337 -0.821 1.00 0.65 H new ATOM 0 HD13 LEU A2102 -6.093 -0.866 0.060 1.00 0.65 H new ATOM 0 HD21 LEU A2102 -4.121 0.683 -1.714 1.00 0.57 H new ATOM 0 HD22 LEU A2102 -3.893 -0.999 -1.179 1.00 0.57 H new ATOM 0 HD23 LEU A2102 -3.859 -0.606 -2.914 1.00 0.57 H new ATOM 836 N ARG A2103 -4.408 -4.460 -2.896 1.00 0.26 N ATOM 837 CA ARG A2103 -3.261 -5.345 -2.734 1.00 0.34 C ATOM 838 C ARG A2103 -2.608 -5.635 -4.081 1.00 0.35 C ATOM 839 O ARG A2103 -1.385 -5.689 -4.185 1.00 0.43 O ATOM 840 CB ARG A2103 -3.698 -6.652 -2.075 1.00 0.48 C ATOM 841 CG ARG A2103 -2.593 -7.689 -1.998 1.00 0.94 C ATOM 842 CD ARG A2103 -3.070 -8.963 -1.328 1.00 0.77 C ATOM 843 NE ARG A2103 -4.065 -9.678 -2.133 1.00 0.94 N ATOM 844 CZ ARG A2103 -3.811 -10.771 -2.857 1.00 1.48 C ATOM 845 NH1 ARG A2103 -2.589 -11.292 -2.890 1.00 2.43 N ATOM 846 NH2 ARG A2103 -4.792 -11.350 -3.538 1.00 1.60 N ATOM 0 H ARG A2103 -5.269 -4.811 -2.477 1.00 0.26 H new ATOM 0 HA ARG A2103 -2.530 -4.848 -2.096 1.00 0.34 H new ATOM 0 HB2 ARG A2103 -4.057 -6.440 -1.068 1.00 0.48 H new ATOM 0 HB3 ARG A2103 -4.538 -7.068 -2.632 1.00 0.48 H new ATOM 0 HG2 ARG A2103 -2.236 -7.917 -3.002 1.00 0.94 H new ATOM 0 HG3 ARG A2103 -1.748 -7.280 -1.444 1.00 0.94 H new ATOM 0 HD2 ARG A2103 -2.217 -9.616 -1.146 1.00 0.77 H new ATOM 0 HD3 ARG A2103 -3.499 -8.721 -0.356 1.00 0.77 H new ATOM 0 HE ARG A2103 -5.018 -9.315 -2.141 1.00 0.94 H new ATOM 0 HH11 ARG A2103 -1.835 -10.857 -2.359 1.00 2.43 H new ATOM 0 HH12 ARG A2103 -2.405 -12.127 -3.446 1.00 2.43 H new ATOM 0 HH21 ARG A2103 -5.734 -10.960 -3.507 1.00 1.60 H new ATOM 0 HH22 ARG A2103 -4.604 -12.185 -4.093 1.00 1.60 H new ATOM 860 N ASN A2104 -3.437 -5.826 -5.102 1.00 0.33 N ATOM 861 CA ASN A2104 -2.962 -6.020 -6.466 1.00 0.38 C ATOM 862 C ASN A2104 -1.998 -4.909 -6.871 1.00 0.39 C ATOM 863 O ASN A2104 -0.869 -5.174 -7.286 1.00 0.48 O ATOM 864 CB ASN A2104 -4.149 -6.074 -7.437 1.00 0.39 C ATOM 865 CG ASN A2104 -4.833 -7.427 -7.461 1.00 0.43 C ATOM 866 OD1 ASN A2104 -4.216 -8.457 -7.191 1.00 0.47 O ATOM 867 ND2 ASN A2104 -6.113 -7.437 -7.803 1.00 0.44 N ATOM 0 H ASN A2104 -4.452 -5.851 -5.007 1.00 0.33 H new ATOM 0 HA ASN A2104 -2.425 -6.968 -6.509 1.00 0.38 H new ATOM 0 HB2 ASN A2104 -4.875 -5.311 -7.157 1.00 0.39 H new ATOM 0 HB3 ASN A2104 -3.801 -5.831 -8.441 1.00 0.39 H new ATOM 0 HD21 ASN A2104 -6.622 -8.320 -7.850 1.00 0.44 H new ATOM 0 HD22 ASN A2104 -6.590 -6.562 -8.020 1.00 0.44 H new ATOM 874 N THR A2105 -2.434 -3.664 -6.718 1.00 0.33 N ATOM 875 CA THR A2105 -1.603 -2.513 -7.047 1.00 0.39 C ATOM 876 C THR A2105 -0.343 -2.480 -6.177 1.00 0.42 C ATOM 877 O THR A2105 0.764 -2.275 -6.676 1.00 0.51 O ATOM 878 CB THR A2105 -2.385 -1.199 -6.858 1.00 0.41 C ATOM 879 OG1 THR A2105 -3.628 -1.264 -7.571 1.00 0.46 O ATOM 880 CG2 THR A2105 -1.576 -0.008 -7.352 1.00 0.51 C ATOM 0 H THR A2105 -3.362 -3.426 -6.367 1.00 0.33 H new ATOM 0 HA THR A2105 -1.312 -2.609 -8.093 1.00 0.39 H new ATOM 0 HB THR A2105 -2.579 -1.069 -5.793 1.00 0.41 H new ATOM 0 HG1 THR A2105 -4.121 -0.427 -7.446 1.00 0.46 H new ATOM 0 HG21 THR A2105 -2.150 0.907 -7.207 1.00 0.51 H new ATOM 0 HG22 THR A2105 -0.644 0.056 -6.791 1.00 0.51 H new ATOM 0 HG23 THR A2105 -1.354 -0.133 -8.412 1.00 0.51 H new ATOM 888 N LEU A2106 -0.527 -2.710 -4.881 1.00 0.42 N ATOM 889 CA LEU A2106 0.573 -2.678 -3.918 1.00 0.55 C ATOM 890 C LEU A2106 1.637 -3.721 -4.251 1.00 0.54 C ATOM 891 O LEU A2106 2.836 -3.465 -4.126 1.00 0.56 O ATOM 892 CB LEU A2106 0.031 -2.918 -2.506 1.00 0.74 C ATOM 893 CG LEU A2106 -0.997 -1.896 -2.024 1.00 0.44 C ATOM 894 CD1 LEU A2106 -1.529 -2.285 -0.656 1.00 1.13 C ATOM 895 CD2 LEU A2106 -0.390 -0.501 -1.983 1.00 0.81 C ATOM 0 H LEU A2106 -1.435 -2.923 -4.469 1.00 0.42 H new ATOM 0 HA LEU A2106 1.040 -1.694 -3.970 1.00 0.55 H new ATOM 0 HB2 LEU A2106 -0.421 -3.909 -2.471 1.00 0.74 H new ATOM 0 HB3 LEU A2106 0.868 -2.925 -1.808 1.00 0.74 H new ATOM 0 HG LEU A2106 -1.828 -1.886 -2.729 1.00 0.44 H new ATOM 0 HD11 LEU A2106 -2.260 -1.547 -0.327 1.00 1.13 H new ATOM 0 HD12 LEU A2106 -2.003 -3.265 -0.715 1.00 1.13 H new ATOM 0 HD13 LEU A2106 -0.706 -2.323 0.057 1.00 1.13 H new ATOM 0 HD21 LEU A2106 -1.139 0.212 -1.637 1.00 0.81 H new ATOM 0 HD22 LEU A2106 0.460 -0.494 -1.301 1.00 0.81 H new ATOM 0 HD23 LEU A2106 -0.056 -0.220 -2.982 1.00 0.81 H new ATOM 907 N THR A2107 1.189 -4.889 -4.686 1.00 0.56 N ATOM 908 CA THR A2107 2.085 -5.983 -5.022 1.00 0.62 C ATOM 909 C THR A2107 2.914 -5.653 -6.266 1.00 0.60 C ATOM 910 O THR A2107 4.075 -6.040 -6.372 1.00 0.64 O ATOM 911 CB THR A2107 1.287 -7.286 -5.254 1.00 0.69 C ATOM 912 OG1 THR A2107 0.498 -7.584 -4.094 1.00 0.73 O ATOM 913 CG2 THR A2107 2.203 -8.464 -5.559 1.00 0.81 C ATOM 0 H THR A2107 0.200 -5.104 -4.815 1.00 0.56 H new ATOM 0 HA THR A2107 2.764 -6.127 -4.182 1.00 0.62 H new ATOM 0 HB THR A2107 0.641 -7.129 -6.118 1.00 0.69 H new ATOM 0 HG1 THR A2107 -0.386 -7.172 -4.185 1.00 0.73 H new ATOM 0 HG21 THR A2107 1.603 -9.360 -5.716 1.00 0.81 H new ATOM 0 HG22 THR A2107 2.781 -8.252 -6.459 1.00 0.81 H new ATOM 0 HG23 THR A2107 2.882 -8.624 -4.721 1.00 0.81 H new ATOM 921 N HIS A2108 2.321 -4.897 -7.186 1.00 0.58 N ATOM 922 CA HIS A2108 2.986 -4.557 -8.444 1.00 0.62 C ATOM 923 C HIS A2108 4.165 -3.616 -8.224 1.00 0.60 C ATOM 924 O HIS A2108 5.046 -3.509 -9.078 1.00 0.68 O ATOM 925 CB HIS A2108 1.998 -3.932 -9.433 1.00 0.68 C ATOM 926 CG HIS A2108 1.183 -4.938 -10.187 1.00 1.20 C ATOM 927 ND1 HIS A2108 0.962 -4.863 -11.546 1.00 1.74 N ATOM 928 CD2 HIS A2108 0.539 -6.050 -9.766 1.00 2.24 C ATOM 929 CE1 HIS A2108 0.217 -5.885 -11.925 1.00 2.48 C ATOM 930 NE2 HIS A2108 -0.053 -6.620 -10.865 1.00 2.81 N ATOM 0 H HIS A2108 1.383 -4.508 -7.086 1.00 0.58 H new ATOM 0 HA HIS A2108 3.369 -5.487 -8.864 1.00 0.62 H new ATOM 0 HB2 HIS A2108 1.326 -3.267 -8.891 1.00 0.68 H new ATOM 0 HB3 HIS A2108 2.550 -3.317 -10.145 1.00 0.68 H new ATOM 0 HD2 HIS A2108 0.498 -6.421 -8.752 1.00 2.24 H new ATOM 0 HE1 HIS A2108 -0.115 -6.085 -12.933 1.00 2.48 H new ATOM 0 HE2 HIS A2108 -0.611 -7.474 -10.862 1.00 2.81 H new ATOM 939 N ASN A2109 4.185 -2.943 -7.081 1.00 0.57 N ATOM 940 CA ASN A2109 5.272 -2.024 -6.756 1.00 0.64 C ATOM 941 C ASN A2109 6.553 -2.781 -6.426 1.00 0.66 C ATOM 942 O ASN A2109 7.658 -2.294 -6.668 1.00 0.85 O ATOM 943 CB ASN A2109 4.884 -1.131 -5.581 1.00 0.82 C ATOM 944 CG ASN A2109 6.006 -0.196 -5.156 1.00 1.61 C ATOM 945 OD1 ASN A2109 6.734 -0.573 -4.116 1.00 1.85 O flip ATOM 946 ND2 ASN A2109 6.196 0.872 -5.737 1.00 2.60 N flip ATOM 0 H ASN A2109 3.463 -3.015 -6.364 1.00 0.57 H new ATOM 0 HA ASN A2109 5.454 -1.403 -7.633 1.00 0.64 H new ATOM 0 HB2 ASN A2109 4.009 -0.541 -5.852 1.00 0.82 H new ATOM 0 HB3 ASN A2109 4.597 -1.756 -4.735 1.00 0.82 H new ATOM 0 HD21 ASN A2109 5.615 1.129 -6.535 1.00 2.60 H new ATOM 0 HD22 ASN A2109 6.935 1.500 -5.421 1.00 2.60 H new ATOM 953 N THR A2110 6.402 -3.970 -5.871 1.00 0.65 N ATOM 954 CA THR A2110 7.552 -4.750 -5.439 1.00 0.78 C ATOM 955 C THR A2110 7.757 -6.009 -6.284 1.00 0.81 C ATOM 956 O THR A2110 8.870 -6.524 -6.390 1.00 1.02 O ATOM 957 CB THR A2110 7.408 -5.146 -3.963 1.00 0.83 C ATOM 958 OG1 THR A2110 6.121 -5.738 -3.741 1.00 0.72 O ATOM 959 CG2 THR A2110 7.580 -3.939 -3.055 1.00 1.03 C ATOM 0 H THR A2110 5.500 -4.417 -5.708 1.00 0.65 H new ATOM 0 HA THR A2110 8.428 -4.114 -5.570 1.00 0.78 H new ATOM 0 HB THR A2110 8.189 -5.869 -3.726 1.00 0.83 H new ATOM 0 HG1 THR A2110 5.903 -5.698 -2.786 1.00 0.72 H new ATOM 0 HG21 THR A2110 7.473 -4.248 -2.015 1.00 1.03 H new ATOM 0 HG22 THR A2110 8.570 -3.508 -3.206 1.00 1.03 H new ATOM 0 HG23 THR A2110 6.820 -3.194 -3.292 1.00 1.03 H new ATOM 967 N GLY A2111 6.683 -6.510 -6.879 1.00 0.72 N ATOM 968 CA GLY A2111 6.766 -7.741 -7.648 1.00 0.86 C ATOM 969 C GLY A2111 6.851 -8.952 -6.744 1.00 0.88 C ATOM 970 O GLY A2111 7.042 -10.082 -7.199 1.00 1.05 O ATOM 0 H GLY A2111 5.755 -6.088 -6.844 1.00 0.72 H new ATOM 0 HA2 GLY A2111 5.892 -7.828 -8.294 1.00 0.86 H new ATOM 0 HA3 GLY A2111 7.641 -7.708 -8.298 1.00 0.86 H new ATOM 974 N LEU A2112 6.714 -8.693 -5.455 1.00 0.84 N ATOM 975 CA LEU A2112 6.759 -9.717 -4.428 1.00 0.92 C ATOM 976 C LEU A2112 5.442 -10.459 -4.354 1.00 0.80 C ATOM 977 O LEU A2112 4.597 -10.353 -5.242 1.00 0.97 O ATOM 978 CB LEU A2112 7.056 -9.070 -3.079 1.00 1.21 C ATOM 979 CG LEU A2112 8.389 -8.338 -2.994 1.00 1.05 C ATOM 980 CD1 LEU A2112 8.420 -7.462 -1.760 1.00 1.45 C ATOM 981 CD2 LEU A2112 9.539 -9.326 -2.962 1.00 1.34 C ATOM 0 H LEU A2112 6.566 -7.753 -5.088 1.00 0.84 H new ATOM 0 HA LEU A2112 7.545 -10.429 -4.679 1.00 0.92 H new ATOM 0 HB2 LEU A2112 6.257 -8.366 -2.847 1.00 1.21 H new ATOM 0 HB3 LEU A2112 7.033 -9.842 -2.310 1.00 1.21 H new ATOM 0 HG LEU A2112 8.498 -7.711 -3.879 1.00 1.05 H new ATOM 0 HD11 LEU A2112 9.377 -6.942 -1.707 1.00 1.45 H new ATOM 0 HD12 LEU A2112 7.613 -6.732 -1.812 1.00 1.45 H new ATOM 0 HD13 LEU A2112 8.293 -8.080 -0.871 1.00 1.45 H new ATOM 0 HD21 LEU A2112 10.483 -8.784 -2.901 1.00 1.34 H new ATOM 0 HD22 LEU A2112 9.437 -9.975 -2.092 1.00 1.34 H new ATOM 0 HD23 LEU A2112 9.525 -9.930 -3.869 1.00 1.34 H new ATOM 993 N ASP A2113 5.283 -11.234 -3.305 1.00 0.77 N ATOM 994 CA ASP A2113 4.068 -11.992 -3.120 1.00 0.77 C ATOM 995 C ASP A2113 3.426 -11.646 -1.799 1.00 0.92 C ATOM 996 O ASP A2113 3.797 -12.162 -0.744 1.00 1.14 O ATOM 997 CB ASP A2113 4.347 -13.477 -3.211 1.00 0.83 C ATOM 998 CG ASP A2113 3.090 -14.312 -3.086 1.00 0.91 C ATOM 999 OD1 ASP A2113 2.978 -15.093 -2.117 1.00 0.90 O ATOM 1000 OD2 ASP A2113 2.204 -14.192 -3.961 1.00 1.18 O ATOM 0 H ASP A2113 5.979 -11.355 -2.569 1.00 0.77 H new ATOM 0 HA ASP A2113 3.372 -11.729 -3.917 1.00 0.77 H new ATOM 0 HB2 ASP A2113 4.831 -13.695 -4.163 1.00 0.83 H new ATOM 0 HB3 ASP A2113 5.047 -13.761 -2.425 1.00 0.83 H new ATOM 1005 N LEU A2114 2.477 -10.746 -1.878 1.00 1.05 N ATOM 1006 CA LEU A2114 1.760 -10.272 -0.710 1.00 1.34 C ATOM 1007 C LEU A2114 0.530 -11.135 -0.476 1.00 1.00 C ATOM 1008 O LEU A2114 -0.223 -11.419 -1.408 1.00 1.04 O ATOM 1009 CB LEU A2114 1.350 -8.800 -0.879 1.00 1.98 C ATOM 1010 CG LEU A2114 2.487 -7.764 -0.818 1.00 2.33 C ATOM 1011 CD1 LEU A2114 3.323 -7.950 0.436 1.00 2.71 C ATOM 1012 CD2 LEU A2114 3.365 -7.831 -2.058 1.00 2.95 C ATOM 0 H LEU A2114 2.176 -10.318 -2.754 1.00 1.05 H new ATOM 0 HA LEU A2114 2.420 -10.344 0.155 1.00 1.34 H new ATOM 0 HB2 LEU A2114 0.842 -8.694 -1.838 1.00 1.98 H new ATOM 0 HB3 LEU A2114 0.623 -8.556 -0.104 1.00 1.98 H new ATOM 0 HG LEU A2114 2.029 -6.776 -0.784 1.00 2.33 H new ATOM 0 HD11 LEU A2114 4.120 -7.206 0.456 1.00 2.71 H new ATOM 0 HD12 LEU A2114 2.691 -7.829 1.316 1.00 2.71 H new ATOM 0 HD13 LEU A2114 3.759 -8.949 0.438 1.00 2.71 H new ATOM 0 HD21 LEU A2114 4.158 -7.087 -1.983 1.00 2.95 H new ATOM 0 HD22 LEU A2114 3.806 -8.824 -2.138 1.00 2.95 H new ATOM 0 HD23 LEU A2114 2.761 -7.630 -2.943 1.00 2.95 H new ATOM 1024 N PRO A2115 0.316 -11.560 0.776 1.00 0.85 N ATOM 1025 CA PRO A2115 -0.802 -12.435 1.145 1.00 0.64 C ATOM 1026 C PRO A2115 -2.145 -11.787 0.861 1.00 0.57 C ATOM 1027 O PRO A2115 -2.295 -10.580 1.017 1.00 0.58 O ATOM 1028 CB PRO A2115 -0.633 -12.622 2.658 1.00 0.76 C ATOM 1029 CG PRO A2115 0.229 -11.492 3.097 1.00 0.98 C ATOM 1030 CD PRO A2115 1.138 -11.201 1.941 1.00 1.10 C ATOM 0 HA PRO A2115 -0.789 -13.366 0.579 1.00 0.64 H new ATOM 0 HB2 PRO A2115 -1.597 -12.603 3.167 1.00 0.76 H new ATOM 0 HB3 PRO A2115 -0.170 -13.582 2.887 1.00 0.76 H new ATOM 0 HG2 PRO A2115 -0.371 -10.619 3.353 1.00 0.98 H new ATOM 0 HG3 PRO A2115 0.800 -11.758 3.987 1.00 0.98 H new ATOM 0 HD2 PRO A2115 1.437 -10.153 1.917 1.00 1.10 H new ATOM 0 HD3 PRO A2115 2.052 -11.792 1.988 1.00 1.10 H new ATOM 1038 N PRO A2116 -3.145 -12.579 0.440 1.00 0.57 N ATOM 1039 CA PRO A2116 -4.509 -12.085 0.203 1.00 0.62 C ATOM 1040 C PRO A2116 -5.131 -11.467 1.457 1.00 0.58 C ATOM 1041 O PRO A2116 -6.187 -10.841 1.394 1.00 0.68 O ATOM 1042 CB PRO A2116 -5.291 -13.332 -0.228 1.00 0.73 C ATOM 1043 CG PRO A2116 -4.447 -14.493 0.175 1.00 0.75 C ATOM 1044 CD PRO A2116 -3.025 -14.013 0.132 1.00 0.63 C ATOM 0 HA PRO A2116 -4.521 -11.290 -0.543 1.00 0.62 H new ATOM 0 HB2 PRO A2116 -6.267 -13.370 0.256 1.00 0.73 H new ATOM 0 HB3 PRO A2116 -5.469 -13.331 -1.303 1.00 0.73 H new ATOM 0 HG2 PRO A2116 -4.711 -14.838 1.175 1.00 0.75 H new ATOM 0 HG3 PRO A2116 -4.594 -15.335 -0.502 1.00 0.75 H new ATOM 0 HD2 PRO A2116 -2.403 -14.531 0.862 1.00 0.63 H new ATOM 0 HD3 PRO A2116 -2.574 -14.178 -0.846 1.00 0.63 H new ATOM 1052 N THR A2117 -4.457 -11.637 2.584 1.00 0.54 N ATOM 1053 CA THR A2117 -4.890 -11.066 3.848 1.00 0.59 C ATOM 1054 C THR A2117 -4.226 -9.710 4.087 1.00 0.50 C ATOM 1055 O THR A2117 -4.388 -9.108 5.139 1.00 0.54 O ATOM 1056 CB THR A2117 -4.565 -12.014 5.013 1.00 0.73 C ATOM 1057 OG1 THR A2117 -3.244 -12.547 4.849 1.00 0.74 O ATOM 1058 CG2 THR A2117 -5.573 -13.150 5.081 1.00 0.86 C ATOM 0 H THR A2117 -3.593 -12.176 2.647 1.00 0.54 H new ATOM 0 HA THR A2117 -5.970 -10.926 3.797 1.00 0.59 H new ATOM 0 HB THR A2117 -4.618 -11.449 5.944 1.00 0.73 H new ATOM 0 HG1 THR A2117 -3.040 -13.150 5.594 1.00 0.74 H new ATOM 0 HG21 THR A2117 -5.323 -13.809 5.913 1.00 0.86 H new ATOM 0 HG22 THR A2117 -6.573 -12.741 5.229 1.00 0.86 H new ATOM 0 HG23 THR A2117 -5.547 -13.716 4.150 1.00 0.86 H new ATOM 1066 N LEU A2118 -3.454 -9.272 3.100 1.00 0.45 N ATOM 1067 CA LEU A2118 -2.776 -7.971 3.108 1.00 0.45 C ATOM 1068 C LEU A2118 -3.655 -6.861 3.702 1.00 0.41 C ATOM 1069 O LEU A2118 -3.391 -6.365 4.801 1.00 0.43 O ATOM 1070 CB LEU A2118 -2.394 -7.622 1.664 1.00 0.49 C ATOM 1071 CG LEU A2118 -1.239 -6.642 1.463 1.00 0.40 C ATOM 1072 CD1 LEU A2118 -1.659 -5.222 1.782 1.00 0.70 C ATOM 1073 CD2 LEU A2118 -0.039 -7.065 2.287 1.00 0.65 C ATOM 0 H LEU A2118 -3.275 -9.816 2.256 1.00 0.45 H new ATOM 0 HA LEU A2118 -1.890 -8.043 3.739 1.00 0.45 H new ATOM 0 HB2 LEU A2118 -2.144 -8.549 1.148 1.00 0.49 H new ATOM 0 HB3 LEU A2118 -3.275 -7.211 1.172 1.00 0.49 H new ATOM 0 HG LEU A2118 -0.952 -6.662 0.412 1.00 0.40 H new ATOM 0 HD11 LEU A2118 -0.815 -4.550 1.629 1.00 0.70 H new ATOM 0 HD12 LEU A2118 -2.479 -4.929 1.127 1.00 0.70 H new ATOM 0 HD13 LEU A2118 -1.986 -5.164 2.820 1.00 0.70 H new ATOM 0 HD21 LEU A2118 0.776 -6.357 2.133 1.00 0.65 H new ATOM 0 HD22 LEU A2118 -0.310 -7.082 3.343 1.00 0.65 H new ATOM 0 HD23 LEU A2118 0.282 -8.060 1.978 1.00 0.65 H new ATOM 1085 N ILE A2119 -4.701 -6.488 2.974 1.00 0.38 N ATOM 1086 CA ILE A2119 -5.586 -5.400 3.387 1.00 0.40 C ATOM 1087 C ILE A2119 -6.482 -5.849 4.540 1.00 0.42 C ATOM 1088 O ILE A2119 -7.010 -5.036 5.296 1.00 0.50 O ATOM 1089 CB ILE A2119 -6.453 -4.925 2.197 1.00 0.42 C ATOM 1090 CG1 ILE A2119 -5.562 -4.507 1.024 1.00 0.40 C ATOM 1091 CG2 ILE A2119 -7.370 -3.776 2.598 1.00 0.42 C ATOM 1092 CD1 ILE A2119 -4.682 -3.312 1.315 1.00 0.33 C ATOM 0 H ILE A2119 -4.960 -6.925 2.089 1.00 0.38 H new ATOM 0 HA ILE A2119 -4.969 -4.567 3.725 1.00 0.40 H new ATOM 0 HB ILE A2119 -7.081 -5.761 1.888 1.00 0.42 H new ATOM 0 HG12 ILE A2119 -4.931 -5.350 0.742 1.00 0.40 H new ATOM 0 HG13 ILE A2119 -6.193 -4.280 0.165 1.00 0.40 H new ATOM 0 HG21 ILE A2119 -7.964 -3.468 1.738 1.00 0.42 H new ATOM 0 HG22 ILE A2119 -8.033 -4.102 3.399 1.00 0.42 H new ATOM 0 HG23 ILE A2119 -6.769 -2.935 2.944 1.00 0.42 H new ATOM 0 HD11 ILE A2119 -4.082 -3.079 0.435 1.00 0.33 H new ATOM 0 HD12 ILE A2119 -5.305 -2.454 1.567 1.00 0.33 H new ATOM 0 HD13 ILE A2119 -4.024 -3.541 2.153 1.00 0.33 H new ATOM 1104 N PHE A2120 -6.623 -7.155 4.678 1.00 0.46 N ATOM 1105 CA PHE A2120 -7.451 -7.743 5.713 1.00 0.53 C ATOM 1106 C PHE A2120 -6.789 -7.594 7.081 1.00 0.52 C ATOM 1107 O PHE A2120 -7.462 -7.468 8.104 1.00 0.60 O ATOM 1108 CB PHE A2120 -7.685 -9.224 5.398 1.00 0.61 C ATOM 1109 CG PHE A2120 -8.568 -9.472 4.200 1.00 1.47 C ATOM 1110 CD1 PHE A2120 -9.726 -10.230 4.308 1.00 1.67 C ATOM 1111 CD2 PHE A2120 -8.240 -8.940 2.966 1.00 2.50 C ATOM 1112 CE1 PHE A2120 -10.531 -10.453 3.208 1.00 2.55 C ATOM 1113 CE2 PHE A2120 -9.040 -9.159 1.863 1.00 3.49 C ATOM 1114 CZ PHE A2120 -10.206 -9.944 2.004 1.00 3.43 C ATOM 0 H PHE A2120 -6.166 -7.838 4.074 1.00 0.46 H new ATOM 0 HA PHE A2120 -8.408 -7.222 5.739 1.00 0.53 H new ATOM 0 HB2 PHE A2120 -6.721 -9.704 5.230 1.00 0.61 H new ATOM 0 HB3 PHE A2120 -8.132 -9.703 6.269 1.00 0.61 H new ATOM 0 HD1 PHE A2120 -10.001 -10.651 5.264 1.00 1.67 H new ATOM 0 HD2 PHE A2120 -7.345 -8.345 2.864 1.00 2.50 H new ATOM 0 HE1 PHE A2120 -11.430 -11.042 3.314 1.00 2.55 H new ATOM 0 HE2 PHE A2120 -8.778 -8.736 0.905 1.00 3.49 H new ATOM 0 HZ PHE A2120 -10.836 -10.136 1.148 1.00 3.43 H new ATOM 1124 N ASP A2121 -5.466 -7.608 7.084 1.00 0.48 N ATOM 1125 CA ASP A2121 -4.695 -7.524 8.317 1.00 0.49 C ATOM 1126 C ASP A2121 -4.298 -6.095 8.647 1.00 0.45 C ATOM 1127 O ASP A2121 -4.316 -5.702 9.810 1.00 0.51 O ATOM 1128 CB ASP A2121 -3.437 -8.387 8.222 1.00 0.50 C ATOM 1129 CG ASP A2121 -3.648 -9.787 8.754 1.00 1.20 C ATOM 1130 OD1 ASP A2121 -3.322 -10.038 9.933 1.00 1.42 O ATOM 1131 OD2 ASP A2121 -4.150 -10.641 7.992 1.00 2.00 O ATOM 0 H ASP A2121 -4.898 -7.677 6.239 1.00 0.48 H new ATOM 0 HA ASP A2121 -5.337 -7.892 9.117 1.00 0.49 H new ATOM 0 HB2 ASP A2121 -3.117 -8.443 7.181 1.00 0.50 H new ATOM 0 HB3 ASP A2121 -2.631 -7.909 8.778 1.00 0.50 H new ATOM 1136 N HIS A2122 -3.926 -5.318 7.635 1.00 0.38 N ATOM 1137 CA HIS A2122 -3.418 -3.966 7.881 1.00 0.37 C ATOM 1138 C HIS A2122 -4.111 -2.942 7.000 1.00 0.34 C ATOM 1139 O HIS A2122 -3.460 -2.343 6.147 1.00 0.32 O ATOM 1140 CB HIS A2122 -1.900 -3.867 7.602 1.00 0.35 C ATOM 1141 CG HIS A2122 -1.158 -5.164 7.716 1.00 0.45 C ATOM 1142 ND1 HIS A2122 -0.750 -5.699 8.918 1.00 0.63 N ATOM 1143 CD2 HIS A2122 -0.764 -6.046 6.760 1.00 0.51 C ATOM 1144 CE1 HIS A2122 -0.141 -6.848 8.700 1.00 0.71 C ATOM 1145 NE2 HIS A2122 -0.135 -7.082 7.401 1.00 0.63 N ATOM 0 H HIS A2122 -3.964 -5.591 6.653 1.00 0.38 H new ATOM 0 HA HIS A2122 -3.620 -3.757 8.932 1.00 0.37 H new ATOM 0 HB2 HIS A2122 -1.754 -3.467 6.599 1.00 0.35 H new ATOM 0 HB3 HIS A2122 -1.462 -3.151 8.297 1.00 0.35 H new ATOM 0 HD2 HIS A2122 -0.918 -5.949 5.695 1.00 0.51 H new ATOM 0 HE1 HIS A2122 0.282 -7.490 9.458 1.00 0.71 H new ATOM 0 HE2 HIS A2122 0.271 -7.900 6.948 1.00 0.63 H new ATOM 1154 N PRO A2123 -5.419 -2.690 7.151 1.00 0.36 N ATOM 1155 CA PRO A2123 -6.026 -1.660 6.344 1.00 0.34 C ATOM 1156 C PRO A2123 -5.758 -0.286 6.940 1.00 0.32 C ATOM 1157 O PRO A2123 -6.380 0.119 7.921 1.00 0.36 O ATOM 1158 CB PRO A2123 -7.514 -2.007 6.407 1.00 0.40 C ATOM 1159 CG PRO A2123 -7.700 -2.731 7.706 1.00 0.43 C ATOM 1160 CD PRO A2123 -6.366 -3.337 8.074 1.00 0.41 C ATOM 0 HA PRO A2123 -5.640 -1.621 5.325 1.00 0.34 H new ATOM 0 HB2 PRO A2123 -8.129 -1.108 6.367 1.00 0.40 H new ATOM 0 HB3 PRO A2123 -7.808 -2.632 5.564 1.00 0.40 H new ATOM 0 HG2 PRO A2123 -8.039 -2.046 8.483 1.00 0.43 H new ATOM 0 HG3 PRO A2123 -8.461 -3.505 7.609 1.00 0.43 H new ATOM 0 HD2 PRO A2123 -6.110 -3.138 9.115 1.00 0.41 H new ATOM 0 HD3 PRO A2123 -6.370 -4.420 7.948 1.00 0.41 H new ATOM 1168 N THR A2124 -4.838 0.426 6.303 1.00 0.27 N ATOM 1169 CA THR A2124 -4.503 1.807 6.630 1.00 0.23 C ATOM 1170 C THR A2124 -3.451 2.306 5.644 1.00 0.22 C ATOM 1171 O THR A2124 -2.530 1.555 5.320 1.00 0.26 O ATOM 1172 CB THR A2124 -3.967 1.971 8.066 1.00 0.31 C ATOM 1173 OG1 THR A2124 -3.614 0.693 8.611 1.00 0.50 O ATOM 1174 CG2 THR A2124 -4.988 2.656 8.961 1.00 0.29 C ATOM 0 H THR A2124 -4.291 0.052 5.527 1.00 0.27 H new ATOM 0 HA THR A2124 -5.421 2.391 6.561 1.00 0.23 H new ATOM 0 HB THR A2124 -3.078 2.601 8.023 1.00 0.31 H new ATOM 0 HG1 THR A2124 -3.273 0.809 9.523 1.00 0.50 H new ATOM 0 HG21 THR A2124 -4.580 2.757 9.967 1.00 0.29 H new ATOM 0 HG22 THR A2124 -5.217 3.644 8.561 1.00 0.29 H new ATOM 0 HG23 THR A2124 -5.899 2.059 8.997 1.00 0.29 H new ATOM 1182 N PRO A2125 -3.554 3.541 5.146 1.00 0.19 N ATOM 1183 CA PRO A2125 -2.609 4.058 4.151 1.00 0.18 C ATOM 1184 C PRO A2125 -1.156 4.011 4.640 1.00 0.17 C ATOM 1185 O PRO A2125 -0.308 3.350 4.032 1.00 0.20 O ATOM 1186 CB PRO A2125 -3.063 5.504 3.937 1.00 0.22 C ATOM 1187 CG PRO A2125 -4.489 5.519 4.372 1.00 0.25 C ATOM 1188 CD PRO A2125 -4.582 4.529 5.498 1.00 0.24 C ATOM 0 HA PRO A2125 -2.616 3.461 3.239 1.00 0.18 H new ATOM 0 HB2 PRO A2125 -2.462 6.199 4.524 1.00 0.22 H new ATOM 0 HB3 PRO A2125 -2.964 5.800 2.893 1.00 0.22 H new ATOM 0 HG2 PRO A2125 -4.787 6.515 4.701 1.00 0.25 H new ATOM 0 HG3 PRO A2125 -5.151 5.242 3.552 1.00 0.25 H new ATOM 0 HD2 PRO A2125 -4.383 4.994 6.463 1.00 0.24 H new ATOM 0 HD3 PRO A2125 -5.572 4.078 5.560 1.00 0.24 H new ATOM 1196 N HIS A2126 -0.883 4.676 5.761 1.00 0.23 N ATOM 1197 CA HIS A2126 0.484 4.787 6.266 1.00 0.31 C ATOM 1198 C HIS A2126 1.001 3.454 6.799 1.00 0.29 C ATOM 1199 O HIS A2126 2.188 3.157 6.692 1.00 0.32 O ATOM 1200 CB HIS A2126 0.578 5.847 7.367 1.00 0.45 C ATOM 1201 CG HIS A2126 1.965 6.010 7.917 1.00 0.58 C ATOM 1202 ND1 HIS A2126 2.512 5.569 9.072 1.00 0.65 N flip ATOM 1203 CD2 HIS A2126 2.976 6.658 7.239 1.00 0.71 C flip ATOM 1204 CE1 HIS A2126 3.829 5.951 9.071 1.00 0.77 C flip ATOM 1205 NE2 HIS A2126 4.085 6.602 7.956 1.00 0.80 N flip ATOM 0 H HIS A2126 -1.586 5.144 6.334 1.00 0.23 H new ATOM 0 HA HIS A2126 1.108 5.087 5.424 1.00 0.31 H new ATOM 0 HB2 HIS A2126 0.237 6.804 6.971 1.00 0.45 H new ATOM 0 HB3 HIS A2126 -0.098 5.579 8.179 1.00 0.45 H new ATOM 0 HD2 HIS A2126 2.877 7.135 6.275 1.00 0.71 H new ATOM 0 HE1 HIS A2126 4.541 5.750 9.858 1.00 0.77 H new ATOM 0 HE2 HIS A2126 4.987 6.997 7.690 1.00 0.80 H new ATOM 1214 N ALA A2127 0.122 2.663 7.389 1.00 0.28 N ATOM 1215 CA ALA A2127 0.529 1.388 7.966 1.00 0.29 C ATOM 1216 C ALA A2127 0.996 0.418 6.888 1.00 0.26 C ATOM 1217 O ALA A2127 1.995 -0.279 7.061 1.00 0.30 O ATOM 1218 CB ALA A2127 -0.606 0.793 8.772 1.00 0.34 C ATOM 0 H ALA A2127 -0.871 2.876 7.482 1.00 0.28 H new ATOM 0 HA ALA A2127 1.372 1.569 8.633 1.00 0.29 H new ATOM 0 HB1 ALA A2127 -0.290 -0.159 9.198 1.00 0.34 H new ATOM 0 HB2 ALA A2127 -0.879 1.477 9.575 1.00 0.34 H new ATOM 0 HB3 ALA A2127 -1.467 0.632 8.124 1.00 0.34 H new ATOM 1224 N LEU A2128 0.270 0.370 5.777 1.00 0.22 N ATOM 1225 CA LEU A2128 0.723 -0.377 4.612 1.00 0.21 C ATOM 1226 C LEU A2128 2.085 0.127 4.153 1.00 0.21 C ATOM 1227 O LEU A2128 2.948 -0.663 3.766 1.00 0.23 O ATOM 1228 CB LEU A2128 -0.271 -0.256 3.463 1.00 0.21 C ATOM 1229 CG LEU A2128 -1.563 -1.046 3.630 1.00 0.37 C ATOM 1230 CD1 LEU A2128 -2.424 -0.876 2.393 1.00 0.60 C ATOM 1231 CD2 LEU A2128 -1.257 -2.516 3.880 1.00 0.64 C ATOM 0 H LEU A2128 -0.629 0.837 5.659 1.00 0.22 H new ATOM 0 HA LEU A2128 0.801 -1.425 4.902 1.00 0.21 H new ATOM 0 HB2 LEU A2128 -0.523 0.796 3.332 1.00 0.21 H new ATOM 0 HB3 LEU A2128 0.219 -0.583 2.546 1.00 0.21 H new ATOM 0 HG LEU A2128 -2.109 -0.666 4.493 1.00 0.37 H new ATOM 0 HD11 LEU A2128 -3.348 -1.441 2.513 1.00 0.60 H new ATOM 0 HD12 LEU A2128 -2.659 0.179 2.256 1.00 0.60 H new ATOM 0 HD13 LEU A2128 -1.884 -1.244 1.521 1.00 0.60 H new ATOM 0 HD21 LEU A2128 -2.190 -3.067 3.997 1.00 0.64 H new ATOM 0 HD22 LEU A2128 -0.700 -2.921 3.035 1.00 0.64 H new ATOM 0 HD23 LEU A2128 -0.661 -2.614 4.787 1.00 0.64 H new ATOM 1243 N THR A2129 2.265 1.446 4.201 1.00 0.21 N ATOM 1244 CA THR A2129 3.544 2.065 3.879 1.00 0.24 C ATOM 1245 C THR A2129 4.663 1.425 4.687 1.00 0.25 C ATOM 1246 O THR A2129 5.733 1.125 4.163 1.00 0.33 O ATOM 1247 CB THR A2129 3.512 3.582 4.163 1.00 0.27 C ATOM 1248 OG1 THR A2129 2.490 4.206 3.375 1.00 0.27 O ATOM 1249 CG2 THR A2129 4.858 4.235 3.876 1.00 0.32 C ATOM 0 H THR A2129 1.534 2.108 4.462 1.00 0.21 H new ATOM 0 HA THR A2129 3.729 1.909 2.816 1.00 0.24 H new ATOM 0 HB THR A2129 3.292 3.718 5.222 1.00 0.27 H new ATOM 0 HG1 THR A2129 1.609 3.919 3.695 1.00 0.27 H new ATOM 0 HG21 THR A2129 4.797 5.303 4.087 1.00 0.32 H new ATOM 0 HG22 THR A2129 5.623 3.783 4.507 1.00 0.32 H new ATOM 0 HG23 THR A2129 5.118 4.087 2.828 1.00 0.32 H new ATOM 1257 N GLN A2130 4.383 1.195 5.957 1.00 0.25 N ATOM 1258 CA GLN A2130 5.340 0.577 6.861 1.00 0.28 C ATOM 1259 C GLN A2130 5.648 -0.845 6.419 1.00 0.23 C ATOM 1260 O GLN A2130 6.809 -1.257 6.385 1.00 0.22 O ATOM 1261 CB GLN A2130 4.791 0.552 8.288 1.00 0.38 C ATOM 1262 CG GLN A2130 4.182 1.867 8.750 1.00 0.52 C ATOM 1263 CD GLN A2130 3.641 1.781 10.163 1.00 1.39 C ATOM 1264 OE1 GLN A2130 3.164 0.732 10.595 1.00 2.22 O ATOM 1265 NE2 GLN A2130 3.739 2.872 10.903 1.00 1.90 N ATOM 0 H GLN A2130 3.490 1.430 6.391 1.00 0.25 H new ATOM 0 HA GLN A2130 6.255 1.169 6.838 1.00 0.28 H new ATOM 0 HB2 GLN A2130 4.035 -0.230 8.360 1.00 0.38 H new ATOM 0 HB3 GLN A2130 5.597 0.279 8.970 1.00 0.38 H new ATOM 0 HG2 GLN A2130 4.936 2.653 8.698 1.00 0.52 H new ATOM 0 HG3 GLN A2130 3.378 2.152 8.071 1.00 0.52 H new ATOM 0 HE21 GLN A2130 4.141 3.722 10.508 1.00 1.90 H new ATOM 0 HE22 GLN A2130 3.413 2.864 11.869 1.00 1.90 H new ATOM 1274 N HIS A2131 4.603 -1.588 6.067 1.00 0.25 N ATOM 1275 CA HIS A2131 4.760 -2.975 5.656 1.00 0.27 C ATOM 1276 C HIS A2131 5.626 -3.077 4.409 1.00 0.26 C ATOM 1277 O HIS A2131 6.603 -3.829 4.380 1.00 0.30 O ATOM 1278 CB HIS A2131 3.406 -3.643 5.392 1.00 0.32 C ATOM 1279 CG HIS A2131 3.550 -5.036 4.849 1.00 0.40 C ATOM 1280 ND1 HIS A2131 4.438 -5.953 5.367 1.00 0.52 N ATOM 1281 CD2 HIS A2131 2.974 -5.638 3.783 1.00 0.42 C ATOM 1282 CE1 HIS A2131 4.408 -7.051 4.642 1.00 0.59 C ATOM 1283 NE2 HIS A2131 3.524 -6.893 3.677 1.00 0.53 N ATOM 0 H HIS A2131 3.640 -1.251 6.059 1.00 0.25 H new ATOM 0 HA HIS A2131 5.249 -3.497 6.478 1.00 0.27 H new ATOM 0 HB2 HIS A2131 2.833 -3.675 6.319 1.00 0.32 H new ATOM 0 HB3 HIS A2131 2.837 -3.038 4.686 1.00 0.32 H new ATOM 0 HD1 HIS A2131 5.028 -5.804 6.186 1.00 0.52 H new ATOM 0 HD2 HIS A2131 2.222 -5.212 3.136 1.00 0.42 H new ATOM 0 HE1 HIS A2131 5.007 -7.934 4.810 1.00 0.59 H new ATOM 1292 N LEU A2132 5.262 -2.333 3.377 1.00 0.27 N ATOM 1293 CA LEU A2132 6.010 -2.370 2.138 1.00 0.33 C ATOM 1294 C LEU A2132 7.407 -1.802 2.351 1.00 0.35 C ATOM 1295 O LEU A2132 8.358 -2.236 1.712 1.00 0.47 O ATOM 1296 CB LEU A2132 5.284 -1.625 1.009 1.00 0.36 C ATOM 1297 CG LEU A2132 4.126 -2.385 0.334 1.00 0.42 C ATOM 1298 CD1 LEU A2132 4.553 -3.786 -0.086 1.00 0.48 C ATOM 1299 CD2 LEU A2132 2.908 -2.456 1.244 1.00 0.42 C ATOM 0 H LEU A2132 4.460 -1.703 3.375 1.00 0.27 H new ATOM 0 HA LEU A2132 6.095 -3.412 1.831 1.00 0.33 H new ATOM 0 HB2 LEU A2132 4.894 -0.690 1.410 1.00 0.36 H new ATOM 0 HB3 LEU A2132 6.015 -1.363 0.244 1.00 0.36 H new ATOM 0 HG LEU A2132 3.853 -1.828 -0.562 1.00 0.42 H new ATOM 0 HD11 LEU A2132 3.714 -4.296 -0.559 1.00 0.48 H new ATOM 0 HD12 LEU A2132 5.381 -3.718 -0.792 1.00 0.48 H new ATOM 0 HD13 LEU A2132 4.871 -4.348 0.792 1.00 0.48 H new ATOM 0 HD21 LEU A2132 2.108 -2.998 0.740 1.00 0.42 H new ATOM 0 HD22 LEU A2132 3.172 -2.974 2.166 1.00 0.42 H new ATOM 0 HD23 LEU A2132 2.570 -1.447 1.479 1.00 0.42 H new ATOM 1311 N HIS A2133 7.536 -0.862 3.285 1.00 0.28 N ATOM 1312 CA HIS A2133 8.831 -0.262 3.586 1.00 0.34 C ATOM 1313 C HIS A2133 9.812 -1.321 4.076 1.00 0.38 C ATOM 1314 O HIS A2133 11.004 -1.263 3.773 1.00 0.55 O ATOM 1315 CB HIS A2133 8.674 0.853 4.622 1.00 0.36 C ATOM 1316 CG HIS A2133 9.955 1.536 4.991 1.00 0.47 C ATOM 1317 ND1 HIS A2133 10.413 1.636 6.283 1.00 0.59 N ATOM 1318 CD2 HIS A2133 10.869 2.166 4.220 1.00 0.53 C ATOM 1319 CE1 HIS A2133 11.552 2.301 6.294 1.00 0.67 C ATOM 1320 NE2 HIS A2133 11.856 2.634 5.053 1.00 0.63 N ATOM 0 H HIS A2133 6.762 -0.502 3.844 1.00 0.28 H new ATOM 0 HA HIS A2133 9.232 0.174 2.671 1.00 0.34 H new ATOM 0 HB2 HIS A2133 7.977 1.597 4.235 1.00 0.36 H new ATOM 0 HB3 HIS A2133 8.226 0.435 5.523 1.00 0.36 H new ATOM 0 HD1 HIS A2133 9.945 1.255 7.105 1.00 0.59 H new ATOM 0 HD2 HIS A2133 10.830 2.280 3.147 1.00 0.53 H new ATOM 0 HE1 HIS A2133 12.138 2.534 7.171 1.00 0.67 H new ATOM 1329 N THR A2134 9.306 -2.291 4.822 1.00 0.32 N ATOM 1330 CA THR A2134 10.118 -3.405 5.270 1.00 0.43 C ATOM 1331 C THR A2134 10.479 -4.300 4.085 1.00 0.51 C ATOM 1332 O THR A2134 11.619 -4.734 3.947 1.00 0.66 O ATOM 1333 CB THR A2134 9.379 -4.227 6.340 1.00 0.55 C ATOM 1334 OG1 THR A2134 8.827 -3.349 7.331 1.00 0.59 O ATOM 1335 CG2 THR A2134 10.317 -5.219 7.010 1.00 0.74 C ATOM 0 H THR A2134 8.334 -2.326 5.129 1.00 0.32 H new ATOM 0 HA THR A2134 11.031 -3.006 5.712 1.00 0.43 H new ATOM 0 HB THR A2134 8.579 -4.782 5.850 1.00 0.55 H new ATOM 0 HG1 THR A2134 8.356 -3.876 8.009 1.00 0.59 H new ATOM 0 HG21 THR A2134 9.769 -5.787 7.762 1.00 0.74 H new ATOM 0 HG22 THR A2134 10.719 -5.902 6.262 1.00 0.74 H new ATOM 0 HG23 THR A2134 11.136 -4.680 7.487 1.00 0.74 H new ATOM 1343 N ARG A2135 9.500 -4.535 3.215 1.00 0.52 N ATOM 1344 CA ARG A2135 9.689 -5.355 2.024 1.00 0.71 C ATOM 1345 C ARG A2135 10.770 -4.773 1.108 1.00 0.88 C ATOM 1346 O ARG A2135 11.609 -5.502 0.591 1.00 1.12 O ATOM 1347 CB ARG A2135 8.359 -5.475 1.282 1.00 0.76 C ATOM 1348 CG ARG A2135 7.278 -6.124 2.128 1.00 0.74 C ATOM 1349 CD ARG A2135 7.557 -7.603 2.332 1.00 0.86 C ATOM 1350 NE ARG A2135 7.159 -8.071 3.657 1.00 1.75 N ATOM 1351 CZ ARG A2135 6.888 -9.343 3.950 1.00 2.11 C ATOM 1352 NH1 ARG A2135 6.922 -10.267 3.003 1.00 1.86 N ATOM 1353 NH2 ARG A2135 6.575 -9.688 5.193 1.00 3.18 N ATOM 0 H ARG A2135 8.556 -4.163 3.316 1.00 0.52 H new ATOM 0 HA ARG A2135 10.027 -6.345 2.330 1.00 0.71 H new ATOM 0 HB2 ARG A2135 8.028 -4.483 0.973 1.00 0.76 H new ATOM 0 HB3 ARG A2135 8.505 -6.059 0.374 1.00 0.76 H new ATOM 0 HG2 ARG A2135 7.220 -5.625 3.095 1.00 0.74 H new ATOM 0 HG3 ARG A2135 6.309 -5.997 1.645 1.00 0.74 H new ATOM 0 HD2 ARG A2135 7.026 -8.177 1.573 1.00 0.86 H new ATOM 0 HD3 ARG A2135 8.621 -7.792 2.188 1.00 0.86 H new ATOM 0 HE ARG A2135 7.084 -7.382 4.405 1.00 1.75 H new ATOM 0 HH11 ARG A2135 7.156 -10.007 2.045 1.00 1.86 H new ATOM 0 HH12 ARG A2135 6.714 -11.239 3.231 1.00 1.86 H new ATOM 0 HH21 ARG A2135 6.541 -8.979 5.926 1.00 3.18 H new ATOM 0 HH22 ARG A2135 6.368 -10.662 5.415 1.00 3.18 H new ATOM 1367 N LEU A2136 10.739 -3.457 0.914 1.00 0.92 N ATOM 1368 CA LEU A2136 11.743 -2.768 0.112 1.00 1.20 C ATOM 1369 C LEU A2136 13.128 -2.852 0.751 1.00 1.16 C ATOM 1370 O LEU A2136 14.113 -3.141 0.075 1.00 1.43 O ATOM 1371 CB LEU A2136 11.361 -1.301 -0.096 1.00 1.43 C ATOM 1372 CG LEU A2136 10.441 -0.999 -1.291 1.00 1.71 C ATOM 1373 CD1 LEU A2136 10.915 -1.727 -2.532 1.00 2.17 C ATOM 1374 CD2 LEU A2136 8.998 -1.358 -0.993 1.00 2.37 C ATOM 0 H LEU A2136 10.024 -2.844 1.305 1.00 0.92 H new ATOM 0 HA LEU A2136 11.780 -3.269 -0.855 1.00 1.20 H new ATOM 0 HB2 LEU A2136 10.873 -0.943 0.810 1.00 1.43 H new ATOM 0 HB3 LEU A2136 12.277 -0.722 -0.215 1.00 1.43 H new ATOM 0 HG LEU A2136 10.489 0.075 -1.472 1.00 1.71 H new ATOM 0 HD11 LEU A2136 10.249 -1.499 -3.364 1.00 2.17 H new ATOM 0 HD12 LEU A2136 11.927 -1.406 -2.778 1.00 2.17 H new ATOM 0 HD13 LEU A2136 10.910 -2.801 -2.348 1.00 2.17 H new ATOM 0 HD21 LEU A2136 8.380 -1.130 -1.861 1.00 2.37 H new ATOM 0 HD22 LEU A2136 8.927 -2.422 -0.766 1.00 2.37 H new ATOM 0 HD23 LEU A2136 8.649 -0.780 -0.137 1.00 2.37 H new ATOM 1386 N THR A2137 13.196 -2.621 2.058 1.00 0.96 N ATOM 1387 CA THR A2137 14.474 -2.607 2.765 1.00 1.08 C ATOM 1388 C THR A2137 15.036 -4.016 2.938 1.00 1.17 C ATOM 1389 O THR A2137 16.176 -4.197 3.372 1.00 1.41 O ATOM 1390 CB THR A2137 14.337 -1.939 4.142 1.00 1.13 C ATOM 1391 OG1 THR A2137 13.192 -2.462 4.828 1.00 1.23 O ATOM 1392 CG2 THR A2137 14.210 -0.428 4.007 1.00 1.15 C ATOM 0 H THR A2137 12.384 -2.441 2.649 1.00 0.96 H new ATOM 0 HA THR A2137 15.167 -2.028 2.154 1.00 1.08 H new ATOM 0 HB THR A2137 15.237 -2.158 4.717 1.00 1.13 H new ATOM 0 HG1 THR A2137 12.391 -1.969 4.551 1.00 1.23 H new ATOM 0 HG21 THR A2137 14.114 0.019 4.997 1.00 1.15 H new ATOM 0 HG22 THR A2137 15.097 -0.031 3.514 1.00 1.15 H new ATOM 0 HG23 THR A2137 13.327 -0.189 3.414 1.00 1.15 H new ATOM 1400 N GLN A2138 14.223 -5.006 2.601 1.00 1.17 N ATOM 1401 CA GLN A2138 14.631 -6.398 2.626 1.00 1.45 C ATOM 1402 C GLN A2138 15.718 -6.678 1.592 1.00 1.71 C ATOM 1403 O GLN A2138 16.473 -7.644 1.713 1.00 2.00 O ATOM 1404 CB GLN A2138 13.423 -7.284 2.351 1.00 1.78 C ATOM 1405 CG GLN A2138 12.561 -7.568 3.568 1.00 1.32 C ATOM 1406 CD GLN A2138 11.430 -8.533 3.265 1.00 1.91 C ATOM 1407 OE1 GLN A2138 10.985 -8.559 2.016 1.00 2.46 O flip ATOM 1408 NE2 GLN A2138 10.967 -9.261 4.142 1.00 2.57 N flip ATOM 0 H GLN A2138 13.258 -4.863 2.302 1.00 1.17 H new ATOM 0 HA GLN A2138 15.039 -6.617 3.613 1.00 1.45 H new ATOM 0 HB2 GLN A2138 12.807 -6.810 1.587 1.00 1.78 H new ATOM 0 HB3 GLN A2138 13.769 -8.231 1.938 1.00 1.78 H new ATOM 0 HG2 GLN A2138 13.183 -7.980 4.362 1.00 1.32 H new ATOM 0 HG3 GLN A2138 12.146 -6.632 3.942 1.00 1.32 H new ATOM 0 HE21 GLN A2138 11.335 -9.213 5.092 1.00 2.57 H new ATOM 0 HE22 GLN A2138 10.215 -9.913 3.919 1.00 2.57 H new ATOM 1417 N SER A2139 15.789 -5.840 0.570 1.00 1.82 N ATOM 1418 CA SER A2139 16.763 -6.020 -0.488 1.00 2.34 C ATOM 1419 C SER A2139 17.732 -4.848 -0.524 1.00 2.85 C ATOM 1420 O SER A2139 17.325 -3.687 -0.467 1.00 3.41 O ATOM 1421 CB SER A2139 16.056 -6.176 -1.834 1.00 2.99 C ATOM 1422 OG SER A2139 16.980 -6.382 -2.893 1.00 3.48 O ATOM 0 H SER A2139 15.182 -5.029 0.453 1.00 1.82 H new ATOM 0 HA SER A2139 17.333 -6.928 -0.288 1.00 2.34 H new ATOM 0 HB2 SER A2139 15.364 -7.017 -1.786 1.00 2.99 H new ATOM 0 HB3 SER A2139 15.462 -5.285 -2.038 1.00 2.99 H new ATOM 0 HG SER A2139 16.493 -6.479 -3.738 1.00 3.48 H new ATOM 1428 N HIS A2140 19.015 -5.161 -0.593 1.00 3.20 N ATOM 1429 CA HIS A2140 20.046 -4.145 -0.692 1.00 4.12 C ATOM 1430 C HIS A2140 21.179 -4.662 -1.569 1.00 4.36 C ATOM 1431 O HIS A2140 22.200 -5.119 -1.020 1.00 4.66 O ATOM 1432 CB HIS A2140 20.564 -3.778 0.700 1.00 4.76 C ATOM 1433 CG HIS A2140 21.413 -2.542 0.731 1.00 5.33 C ATOM 1434 ND1 HIS A2140 20.927 -1.305 1.096 1.00 6.07 N ATOM 1435 CD2 HIS A2140 22.725 -2.357 0.453 1.00 5.72 C ATOM 1436 CE1 HIS A2140 21.902 -0.416 1.038 1.00 6.78 C ATOM 1437 NE2 HIS A2140 23.002 -1.030 0.652 1.00 6.61 N ATOM 1438 OXT HIS A2140 21.023 -4.648 -2.808 1.00 4.63 O ATOM 0 H HIS A2140 19.368 -6.118 -0.582 1.00 3.20 H new ATOM 0 HA HIS A2140 19.628 -3.246 -1.144 1.00 4.12 H new ATOM 0 HB2 HIS A2140 19.714 -3.638 1.367 1.00 4.76 H new ATOM 0 HB3 HIS A2140 21.143 -4.614 1.092 1.00 4.76 H new ATOM 0 HD2 HIS A2140 23.424 -3.115 0.133 1.00 5.72 H new ATOM 0 HE1 HIS A2140 21.813 0.635 1.268 1.00 6.78 H new ATOM 0 HE2 HIS A2140 23.912 -0.589 0.522 1.00 6.61 H new TER 1447 HIS A2140 HETATM 1448 P24 66S A2201 -16.540 -8.188 0.262 1.00 1.26 P HETATM 1449 O26 66S A2201 -17.024 -6.998 -0.457 1.00 2.02 O HETATM 1450 O23 66S A2201 -16.048 -9.222 -0.675 1.00 2.14 O HETATM 1451 O27 66S A2201 -17.624 -8.761 1.248 1.00 1.51 O HETATM 1452 C28 66S A2201 -18.894 -9.140 0.693 1.00 1.76 C HETATM 1453 C29 66S A2201 -19.843 -9.558 1.850 1.00 2.58 C HETATM 1454 C30 66S A2201 -19.181 -9.244 3.209 1.00 3.17 C HETATM 1455 C31 66S A2201 -20.104 -11.067 1.761 1.00 3.36 C HETATM 1456 C32 66S A2201 -21.205 -8.791 1.733 1.00 3.14 C HETATM 1457 O33 66S A2201 -21.839 -8.753 3.012 1.00 3.66 O HETATM 1458 C34 66S A2201 -21.011 -7.357 1.247 1.00 3.77 C HETATM 1459 O35 66S A2201 -21.095 -7.031 0.077 1.00 4.48 O HETATM 1460 N36 66S A2201 -20.742 -6.464 2.204 1.00 3.99 N HETATM 1461 C37 66S A2201 -19.555 -5.598 2.166 1.00 4.65 C HETATM 1462 C38 66S A2201 -18.850 -5.549 3.526 1.00 5.05 C HETATM 1463 C39 66S A2201 -17.357 -5.499 3.339 1.00 5.31 C HETATM 1464 O40 66S A2201 -16.767 -4.501 2.991 1.00 6.12 O HETATM 1465 N41 66S A2201 -16.714 -6.639 3.587 1.00 4.83 N HETATM 1466 C42 66S A2201 -16.251 -6.998 4.914 1.00 4.77 C HETATM 1467 C43 66S A2201 -14.786 -6.615 5.108 1.00 4.00 C HETATM 1468 S1 66S A2201 -13.676 -7.980 4.707 1.00 3.68 S HETATM 1469 C1 66S A2201 -13.143 -8.406 6.315 1.00 3.22 C HETATM 1470 O1 66S A2201 -13.909 -8.452 7.260 1.00 3.95 O HETATM 1471 C2 66S A2201 -11.676 -8.698 6.425 1.00 2.52 C HETATM 1472 C3 66S A2201 -10.865 -7.399 6.443 1.00 2.11 C HETATM 1473 C4 66S A2201 -11.005 -6.691 7.800 1.00 1.89 C HETATM 1474 C5 66S A2201 -10.894 -5.171 7.612 1.00 1.41 C HETATM 1475 C6 66S A2201 -12.079 -4.651 6.787 1.00 1.16 C HETATM 1476 C7 66S A2201 -11.597 -4.167 5.411 1.00 1.33 C HETATM 1477 C8 66S A2201 -12.770 -3.606 4.609 1.00 1.42 C