USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 726 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: A2077 HIS : no HE2:sc= -6.52! C(o=-6.6!,f=-8.3!) USER MOD Set 1.2: A2079 THR OG1 : rot -170:sc= -0.117 USER MOD Set 2.1: A2059 GLN : amide:sc= -2.07! C(o=-1.3!,f=-3.8!) USER MOD Set 2.2: A2133 HIS : no HD1:sc= 0.812 K(o=-1.3,f=-9.6!) USER MOD Set 3.1: A2047 SER OG : rot -118:sc= 0.626 USER MOD Set 3.2: A2048 HIS : no HE2:sc= 0.685 K(o=1.3,f=-4.7!) USER MOD Single : A2049 MET CE :methyl -104:sc= -0.866 (180deg=-3.49!) USER MOD Single : A2052 ASN : amide:sc= 0.084 K(o=0.084,f=-3.5!) USER MOD Single : A2055 SER OG : rot 180:sc= 0 USER MOD Single : A2057 GLN :FLIP amide:sc=-0.00905 F(o=-1.1,f=-0.0091) USER MOD Single : A2058 GLN : amide:sc= -0.065 K(o=-0.065,f=-0.86) USER MOD Single : A2060 GLN : amide:sc= -0.827 K(o=-0.83,f=-5.4!) USER MOD Single : A2061 GLN : amide:sc= 0 X(o=0,f=-0.00066) USER MOD Single : A2062 THR OG1 : rot 51:sc= 1.2 USER MOD Single : A2065 THR OG1 : rot 79:sc= 1.13 USER MOD Single : A2071 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A2073 THR OG1 : rot 76:sc= 1.19 USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2082 SER OG : rot -43:sc= 0.509 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot 180:sc= 0 USER MOD Single : A2090 LYS NZ :NH3+ 159:sc= 1.02 (180deg=0.724) USER MOD Single : A2096 SER OG : rot 180:sc= 0 USER MOD Single : A2098 THR OG1 : rot 180:sc= 0.629 USER MOD Single : A2104 ASN : amide:sc= -0.554 K(o=-0.55,f=-7.2!) USER MOD Single : A2105 THR OG1 : rot 70:sc= 1.07 USER MOD Single : A2107 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A2108 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.012) USER MOD Single : A2109 ASN : amide:sc= 0.0422 K(o=0.042,f=-1.3) USER MOD Single : A2110 THR OG1 : rot -84:sc= 0.531 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.796 USER MOD Single : A2122 HIS : no HD1:sc= -0.396 X(o=-0.4,f=-0.45) USER MOD Single : A2124 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A2129 THR OG1 : rot 55:sc= 0.172 USER MOD Single : A2130 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A2131 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.0082) USER MOD Single : A2134 THR OG1 : rot 71:sc= 0.441 USER MOD Single : A2137 THR OG1 : rot -71:sc= 1.03 USER MOD Single : A2138 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.78) USER MOD Single : A2139 SER OG : rot 180:sc= 0.0679 USER MOD Single : A2140 HIS : no HE2:sc= -0.148 K(o=-0.15,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A2046 -20.407 -3.035 -6.424 1.00 6.15 N ATOM 2 CA GLY A2046 -19.122 -2.314 -6.586 1.00 5.60 C ATOM 3 C GLY A2046 -18.843 -1.383 -5.425 1.00 5.08 C ATOM 4 O GLY A2046 -19.713 -1.157 -4.581 1.00 5.26 O ATOM 0 HA2 GLY A2046 -18.310 -3.036 -6.675 1.00 5.60 H new ATOM 0 HA3 GLY A2046 -19.142 -1.741 -7.513 1.00 5.60 H new ATOM 10 N SER A2047 -17.632 -0.844 -5.373 1.00 4.85 N ATOM 11 CA SER A2047 -17.256 0.086 -4.321 1.00 4.75 C ATOM 12 C SER A2047 -15.971 0.823 -4.676 1.00 3.83 C ATOM 13 O SER A2047 -15.998 1.981 -5.096 1.00 4.09 O ATOM 14 CB SER A2047 -17.081 -0.649 -2.987 1.00 5.58 C ATOM 15 OG SER A2047 -16.625 0.230 -1.971 1.00 6.22 O ATOM 0 H SER A2047 -16.893 -1.037 -6.049 1.00 4.85 H new ATOM 0 HA SER A2047 -18.059 0.816 -4.221 1.00 4.75 H new ATOM 0 HB2 SER A2047 -18.030 -1.094 -2.687 1.00 5.58 H new ATOM 0 HB3 SER A2047 -16.370 -1.466 -3.110 1.00 5.58 H new ATOM 0 HG SER A2047 -15.749 -0.069 -1.648 1.00 6.22 H new ATOM 21 N HIS A2048 -14.847 0.140 -4.518 1.00 3.01 N ATOM 22 CA HIS A2048 -13.543 0.757 -4.689 1.00 2.15 C ATOM 23 C HIS A2048 -12.603 -0.186 -5.431 1.00 1.40 C ATOM 24 O HIS A2048 -13.001 -1.293 -5.788 1.00 1.44 O ATOM 25 CB HIS A2048 -12.959 1.155 -3.325 1.00 2.19 C ATOM 26 CG HIS A2048 -13.521 2.436 -2.774 1.00 2.49 C ATOM 27 ND1 HIS A2048 -14.779 2.533 -2.211 1.00 3.16 N ATOM 28 CD2 HIS A2048 -12.988 3.682 -2.705 1.00 2.35 C ATOM 29 CE1 HIS A2048 -14.992 3.779 -1.826 1.00 3.33 C ATOM 30 NE2 HIS A2048 -13.921 4.493 -2.114 1.00 2.84 N ATOM 0 H HIS A2048 -14.814 -0.849 -4.270 1.00 3.01 H new ATOM 0 HA HIS A2048 -13.657 1.661 -5.287 1.00 2.15 H new ATOM 0 HB2 HIS A2048 -13.145 0.352 -2.612 1.00 2.19 H new ATOM 0 HB3 HIS A2048 -11.878 1.254 -3.418 1.00 2.19 H new ATOM 0 HD1 HIS A2048 -15.440 1.763 -2.109 1.00 3.16 H new ATOM 0 HD2 HIS A2048 -12.009 3.979 -3.052 1.00 2.35 H new ATOM 0 HE1 HIS A2048 -15.891 4.150 -1.355 1.00 3.33 H new ATOM 39 N MET A2049 -11.357 0.263 -5.605 1.00 1.08 N ATOM 40 CA MET A2049 -10.352 -0.377 -6.468 1.00 0.80 C ATOM 41 C MET A2049 -10.517 -1.883 -6.622 1.00 1.56 C ATOM 42 O MET A2049 -11.013 -2.374 -7.633 1.00 2.18 O ATOM 43 CB MET A2049 -8.963 -0.082 -5.882 1.00 0.83 C ATOM 44 CG MET A2049 -7.810 -0.721 -6.639 1.00 1.02 C ATOM 45 SD MET A2049 -6.268 -0.697 -5.699 1.00 1.09 S ATOM 46 CE MET A2049 -6.723 -1.644 -4.250 1.00 0.85 C ATOM 0 H MET A2049 -11.008 1.101 -5.140 1.00 1.08 H new ATOM 0 HA MET A2049 -10.482 0.040 -7.467 1.00 0.80 H new ATOM 0 HB2 MET A2049 -8.813 0.997 -5.861 1.00 0.83 H new ATOM 0 HB3 MET A2049 -8.938 -0.427 -4.848 1.00 0.83 H new ATOM 0 HG2 MET A2049 -8.067 -1.752 -6.883 1.00 1.02 H new ATOM 0 HG3 MET A2049 -7.664 -0.196 -7.583 1.00 1.02 H new ATOM 0 HE1 MET A2049 -6.877 -0.969 -3.408 1.00 0.85 H new ATOM 0 HE2 MET A2049 -7.643 -2.193 -4.448 1.00 0.85 H new ATOM 0 HE3 MET A2049 -5.926 -2.347 -4.010 1.00 0.85 H new ATOM 56 N ARG A2050 -10.111 -2.592 -5.610 1.00 2.19 N ATOM 57 CA ARG A2050 -10.172 -4.050 -5.613 1.00 3.02 C ATOM 58 C ARG A2050 -11.288 -4.582 -4.730 1.00 2.45 C ATOM 59 O ARG A2050 -11.509 -5.788 -4.667 1.00 3.04 O ATOM 60 CB ARG A2050 -8.839 -4.642 -5.166 1.00 4.17 C ATOM 61 CG ARG A2050 -7.756 -4.599 -6.215 1.00 5.10 C ATOM 62 CD ARG A2050 -7.799 -5.854 -7.041 1.00 6.03 C ATOM 63 NE ARG A2050 -6.669 -5.961 -7.959 1.00 7.06 N ATOM 64 CZ ARG A2050 -6.077 -7.111 -8.279 1.00 8.09 C ATOM 65 NH1 ARG A2050 -6.482 -8.250 -7.730 1.00 8.33 N ATOM 66 NH2 ARG A2050 -5.068 -7.118 -9.141 1.00 9.04 N ATOM 0 H ARG A2050 -9.727 -2.191 -4.755 1.00 2.19 H new ATOM 0 HA ARG A2050 -10.384 -4.355 -6.638 1.00 3.02 H new ATOM 0 HB2 ARG A2050 -8.494 -4.104 -4.283 1.00 4.17 H new ATOM 0 HB3 ARG A2050 -8.997 -5.678 -4.867 1.00 4.17 H new ATOM 0 HG2 ARG A2050 -7.891 -3.727 -6.855 1.00 5.10 H new ATOM 0 HG3 ARG A2050 -6.780 -4.498 -5.740 1.00 5.10 H new ATOM 0 HD2 ARG A2050 -7.808 -6.720 -6.379 1.00 6.03 H new ATOM 0 HD3 ARG A2050 -8.728 -5.878 -7.610 1.00 6.03 H new ATOM 0 HE ARG A2050 -6.311 -5.104 -8.381 1.00 7.06 H new ATOM 0 HH11 ARG A2050 -7.250 -8.248 -7.059 1.00 8.33 H new ATOM 0 HH12 ARG A2050 -6.025 -9.127 -7.979 1.00 8.33 H new ATOM 0 HH21 ARG A2050 -4.747 -6.244 -9.557 1.00 9.04 H new ATOM 0 HH22 ARG A2050 -4.614 -7.997 -9.387 1.00 9.04 H new ATOM 80 N LEU A2051 -11.993 -3.693 -4.052 1.00 1.40 N ATOM 81 CA LEU A2051 -12.894 -4.115 -2.985 1.00 1.14 C ATOM 82 C LEU A2051 -14.308 -4.333 -3.487 1.00 1.01 C ATOM 83 O LEU A2051 -15.275 -3.984 -2.809 1.00 1.07 O ATOM 84 CB LEU A2051 -12.916 -3.111 -1.833 1.00 1.24 C ATOM 85 CG LEU A2051 -11.572 -2.832 -1.157 1.00 1.66 C ATOM 86 CD1 LEU A2051 -10.708 -4.082 -1.116 1.00 2.23 C ATOM 87 CD2 LEU A2051 -10.857 -1.699 -1.853 1.00 2.25 C ATOM 0 H LEU A2051 -11.963 -2.687 -4.215 1.00 1.40 H new ATOM 0 HA LEU A2051 -12.504 -5.065 -2.620 1.00 1.14 H new ATOM 0 HB2 LEU A2051 -13.314 -2.168 -2.208 1.00 1.24 H new ATOM 0 HB3 LEU A2051 -13.612 -3.473 -1.076 1.00 1.24 H new ATOM 0 HG LEU A2051 -11.764 -2.533 -0.127 1.00 1.66 H new ATOM 0 HD11 LEU A2051 -9.760 -3.853 -0.630 1.00 2.23 H new ATOM 0 HD12 LEU A2051 -11.223 -4.862 -0.556 1.00 2.23 H new ATOM 0 HD13 LEU A2051 -10.521 -4.428 -2.132 1.00 2.23 H new ATOM 0 HD21 LEU A2051 -9.903 -1.513 -1.360 1.00 2.25 H new ATOM 0 HD22 LEU A2051 -10.681 -1.965 -2.895 1.00 2.25 H new ATOM 0 HD23 LEU A2051 -11.470 -0.799 -1.807 1.00 2.25 H new ATOM 99 N ASN A2052 -14.434 -4.904 -4.667 1.00 1.58 N ATOM 100 CA ASN A2052 -15.743 -5.223 -5.196 1.00 1.99 C ATOM 101 C ASN A2052 -16.162 -6.602 -4.716 1.00 1.93 C ATOM 102 O ASN A2052 -15.633 -7.616 -5.172 1.00 2.08 O ATOM 103 CB ASN A2052 -15.728 -5.166 -6.721 1.00 2.83 C ATOM 104 CG ASN A2052 -15.485 -3.765 -7.241 1.00 3.47 C ATOM 105 OD1 ASN A2052 -15.910 -2.778 -6.640 1.00 3.92 O ATOM 106 ND2 ASN A2052 -14.782 -3.673 -8.352 1.00 4.07 N ATOM 0 H ASN A2052 -13.653 -5.155 -5.273 1.00 1.58 H new ATOM 0 HA ASN A2052 -16.464 -4.489 -4.837 1.00 1.99 H new ATOM 0 HB2 ASN A2052 -14.952 -5.831 -7.100 1.00 2.83 H new ATOM 0 HB3 ASN A2052 -16.679 -5.534 -7.106 1.00 2.83 H new ATOM 0 HD21 ASN A2052 -14.570 -2.757 -8.747 1.00 4.07 H new ATOM 0 HD22 ASN A2052 -14.450 -4.518 -8.817 1.00 4.07 H new ATOM 113 N GLY A2053 -17.100 -6.632 -3.782 1.00 1.86 N ATOM 114 CA GLY A2053 -17.600 -7.890 -3.265 1.00 1.88 C ATOM 115 C GLY A2053 -16.802 -8.423 -2.082 1.00 1.57 C ATOM 116 O GLY A2053 -17.159 -9.454 -1.510 1.00 1.67 O ATOM 0 H GLY A2053 -17.527 -5.802 -3.370 1.00 1.86 H new ATOM 0 HA2 GLY A2053 -18.640 -7.762 -2.963 1.00 1.88 H new ATOM 0 HA3 GLY A2053 -17.589 -8.632 -4.064 1.00 1.88 H new ATOM 120 N LEU A2054 -15.729 -7.733 -1.699 1.00 1.24 N ATOM 121 CA LEU A2054 -14.891 -8.194 -0.597 1.00 1.05 C ATOM 122 C LEU A2054 -15.305 -7.551 0.721 1.00 0.93 C ATOM 123 O LEU A2054 -15.578 -6.351 0.783 1.00 0.98 O ATOM 124 CB LEU A2054 -13.409 -7.892 -0.858 1.00 0.96 C ATOM 125 CG LEU A2054 -12.731 -8.694 -1.978 1.00 1.10 C ATOM 126 CD1 LEU A2054 -13.075 -10.170 -1.874 1.00 1.60 C ATOM 127 CD2 LEU A2054 -13.105 -8.153 -3.346 1.00 1.50 C ATOM 0 H LEU A2054 -15.423 -6.861 -2.131 1.00 1.24 H new ATOM 0 HA LEU A2054 -15.029 -9.273 -0.527 1.00 1.05 H new ATOM 0 HB2 LEU A2054 -13.313 -6.832 -1.092 1.00 0.96 H new ATOM 0 HB3 LEU A2054 -12.858 -8.065 0.066 1.00 0.96 H new ATOM 0 HG LEU A2054 -11.653 -8.585 -1.856 1.00 1.10 H new ATOM 0 HD11 LEU A2054 -12.582 -10.716 -2.679 1.00 1.60 H new ATOM 0 HD12 LEU A2054 -12.735 -10.556 -0.913 1.00 1.60 H new ATOM 0 HD13 LEU A2054 -14.154 -10.299 -1.956 1.00 1.60 H new ATOM 0 HD21 LEU A2054 -12.609 -8.742 -4.118 1.00 1.50 H new ATOM 0 HD22 LEU A2054 -14.185 -8.216 -3.479 1.00 1.50 H new ATOM 0 HD23 LEU A2054 -12.790 -7.113 -3.424 1.00 1.50 H new ATOM 139 N SER A2055 -15.363 -8.364 1.763 1.00 0.85 N ATOM 140 CA SER A2055 -15.619 -7.884 3.115 1.00 0.80 C ATOM 141 C SER A2055 -14.362 -7.223 3.681 1.00 0.67 C ATOM 142 O SER A2055 -13.263 -7.501 3.213 1.00 0.61 O ATOM 143 CB SER A2055 -16.061 -9.056 3.996 1.00 0.83 C ATOM 144 OG SER A2055 -17.187 -9.714 3.432 1.00 1.18 O ATOM 0 H SER A2055 -15.234 -9.374 1.698 1.00 0.85 H new ATOM 0 HA SER A2055 -16.415 -7.140 3.095 1.00 0.80 H new ATOM 0 HB2 SER A2055 -15.239 -9.763 4.108 1.00 0.83 H new ATOM 0 HB3 SER A2055 -16.308 -8.694 4.994 1.00 0.83 H new ATOM 0 HG SER A2055 -17.453 -10.460 4.009 1.00 1.18 H new ATOM 150 N PRO A2056 -14.523 -6.318 4.662 1.00 0.67 N ATOM 151 CA PRO A2056 -13.430 -5.573 5.294 1.00 0.61 C ATOM 152 C PRO A2056 -12.131 -6.365 5.470 1.00 0.54 C ATOM 153 O PRO A2056 -11.061 -5.880 5.101 1.00 0.50 O ATOM 154 CB PRO A2056 -14.005 -5.207 6.665 1.00 0.71 C ATOM 155 CG PRO A2056 -15.483 -5.424 6.584 1.00 0.86 C ATOM 156 CD PRO A2056 -15.812 -5.878 5.192 1.00 0.81 C ATOM 0 HA PRO A2056 -13.137 -4.728 4.671 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -13.565 -5.826 7.447 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -13.779 -4.170 6.915 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -15.799 -6.171 7.312 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -16.016 -4.503 6.820 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -16.542 -6.688 5.196 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -16.236 -5.070 4.596 1.00 0.81 H new ATOM 164 N GLN A2057 -12.218 -7.569 6.020 1.00 0.58 N ATOM 165 CA GLN A2057 -11.036 -8.397 6.231 1.00 0.60 C ATOM 166 C GLN A2057 -10.397 -8.789 4.898 1.00 0.57 C ATOM 167 O GLN A2057 -9.178 -8.712 4.739 1.00 0.57 O ATOM 168 CB GLN A2057 -11.406 -9.643 7.031 1.00 0.71 C ATOM 169 CG GLN A2057 -10.258 -10.622 7.195 1.00 0.83 C ATOM 170 CD GLN A2057 -10.645 -11.856 7.984 1.00 1.19 C ATOM 171 OE1 GLN A2057 -11.907 -12.241 7.903 1.00 1.63 O flip ATOM 172 NE2 GLN A2057 -9.814 -12.461 8.659 1.00 1.95 N flip ATOM 0 H GLN A2057 -13.093 -7.994 6.328 1.00 0.58 H new ATOM 0 HA GLN A2057 -10.307 -7.817 6.796 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -11.758 -9.340 8.017 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -12.236 -10.148 6.537 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -9.901 -10.924 6.210 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -9.429 -10.122 7.696 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -8.849 -12.132 8.696 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -10.089 -13.292 9.182 1.00 1.95 H new ATOM 181 N GLN A2058 -11.226 -9.201 3.943 1.00 0.59 N ATOM 182 CA GLN A2058 -10.758 -9.476 2.590 1.00 0.64 C ATOM 183 C GLN A2058 -10.095 -8.238 2.012 1.00 0.57 C ATOM 184 O GLN A2058 -9.048 -8.319 1.371 1.00 0.59 O ATOM 185 CB GLN A2058 -11.919 -9.892 1.686 1.00 0.75 C ATOM 186 CG GLN A2058 -12.460 -11.280 1.961 1.00 0.83 C ATOM 187 CD GLN A2058 -11.461 -12.371 1.617 1.00 0.99 C ATOM 188 OE1 GLN A2058 -10.644 -12.219 0.706 1.00 1.44 O ATOM 189 NE2 GLN A2058 -11.523 -13.479 2.335 1.00 1.60 N ATOM 0 H GLN A2058 -12.225 -9.351 4.082 1.00 0.59 H new ATOM 0 HA GLN A2058 -10.039 -10.294 2.639 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -12.728 -9.171 1.799 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -11.591 -9.842 0.648 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -12.731 -11.359 3.014 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -13.372 -11.432 1.384 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -12.214 -13.566 3.080 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -10.880 -14.247 2.144 1.00 1.60 H new ATOM 198 N GLN A2059 -10.723 -7.091 2.254 1.00 0.54 N ATOM 199 CA GLN A2059 -10.206 -5.806 1.803 1.00 0.52 C ATOM 200 C GLN A2059 -8.801 -5.577 2.330 1.00 0.47 C ATOM 201 O GLN A2059 -7.935 -5.071 1.619 1.00 0.49 O ATOM 202 CB GLN A2059 -11.104 -4.668 2.281 1.00 0.57 C ATOM 203 CG GLN A2059 -12.529 -4.736 1.774 1.00 0.72 C ATOM 204 CD GLN A2059 -13.361 -3.572 2.270 1.00 1.02 C ATOM 205 OE1 GLN A2059 -13.155 -3.081 3.381 1.00 1.50 O ATOM 206 NE2 GLN A2059 -14.273 -3.099 1.443 1.00 1.19 N ATOM 0 H GLN A2059 -11.602 -7.028 2.767 1.00 0.54 H new ATOM 0 HA GLN A2059 -10.186 -5.822 0.713 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -11.119 -4.668 3.371 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -10.665 -3.720 1.968 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.527 -4.742 0.684 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -12.985 -5.672 2.097 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -14.411 -3.536 0.532 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -14.840 -2.296 1.715 1.00 1.19 H new ATOM 215 N GLN A2060 -8.594 -5.936 3.588 1.00 0.44 N ATOM 216 CA GLN A2060 -7.278 -5.819 4.204 1.00 0.42 C ATOM 217 C GLN A2060 -6.248 -6.602 3.418 1.00 0.39 C ATOM 218 O GLN A2060 -5.335 -6.026 2.844 1.00 0.37 O ATOM 219 CB GLN A2060 -7.285 -6.322 5.643 1.00 0.45 C ATOM 220 CG GLN A2060 -8.290 -5.628 6.532 1.00 0.50 C ATOM 221 CD GLN A2060 -8.201 -6.099 7.967 1.00 0.60 C ATOM 222 OE1 GLN A2060 -8.877 -7.045 8.370 1.00 0.78 O ATOM 223 NE2 GLN A2060 -7.349 -5.453 8.744 1.00 0.95 N ATOM 0 H GLN A2060 -9.317 -6.310 4.202 1.00 0.44 H new ATOM 0 HA GLN A2060 -7.019 -4.760 4.201 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.494 -7.392 5.642 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -6.289 -6.192 6.067 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -8.125 -4.551 6.493 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -9.296 -5.810 6.153 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -6.808 -4.674 8.370 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -7.233 -5.734 9.718 1.00 0.95 H new ATOM 232 N GLN A2061 -6.420 -7.916 3.382 1.00 0.41 N ATOM 233 CA GLN A2061 -5.503 -8.805 2.675 1.00 0.42 C ATOM 234 C GLN A2061 -5.315 -8.378 1.224 1.00 0.43 C ATOM 235 O GLN A2061 -4.240 -8.542 0.648 1.00 0.41 O ATOM 236 CB GLN A2061 -6.035 -10.218 2.740 1.00 0.51 C ATOM 237 CG GLN A2061 -6.096 -10.751 4.157 1.00 0.56 C ATOM 238 CD GLN A2061 -6.835 -12.068 4.262 1.00 0.67 C ATOM 239 OE1 GLN A2061 -8.051 -12.098 4.454 1.00 1.03 O ATOM 240 NE2 GLN A2061 -6.107 -13.166 4.148 1.00 1.32 N ATOM 0 H GLN A2061 -7.195 -8.396 3.839 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.527 -8.753 3.158 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -7.032 -10.248 2.301 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -5.402 -10.869 2.137 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -5.082 -10.879 4.535 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.584 -10.015 4.796 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -5.102 -13.097 3.989 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -6.551 -14.082 4.219 1.00 1.32 H new ATOM 249 N THR A2062 -6.377 -7.849 0.646 1.00 0.49 N ATOM 250 CA THR A2062 -6.322 -7.220 -0.668 1.00 0.55 C ATOM 251 C THR A2062 -5.176 -6.214 -0.752 1.00 0.49 C ATOM 252 O THR A2062 -4.314 -6.305 -1.628 1.00 0.48 O ATOM 253 CB THR A2062 -7.643 -6.491 -0.971 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.714 -7.437 -1.072 1.00 0.73 O ATOM 255 CG2 THR A2062 -7.544 -5.687 -2.257 1.00 0.77 C ATOM 0 H THR A2062 -7.304 -7.841 1.071 1.00 0.49 H new ATOM 0 HA THR A2062 -6.158 -8.010 -1.400 1.00 0.55 H new ATOM 0 HB THR A2062 -7.843 -5.802 -0.151 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.714 -8.017 -0.282 1.00 0.73 H new ATOM 0 HG21 THR A2062 -8.492 -5.183 -2.445 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.751 -4.945 -2.162 1.00 0.77 H new ATOM 0 HG23 THR A2062 -7.318 -6.356 -3.088 1.00 0.77 H new ATOM 263 N LEU A2063 -5.154 -5.281 0.187 1.00 0.50 N ATOM 264 CA LEU A2063 -4.178 -4.214 0.197 1.00 0.53 C ATOM 265 C LEU A2063 -2.889 -4.703 0.814 1.00 0.44 C ATOM 266 O LEU A2063 -1.813 -4.182 0.544 1.00 0.47 O ATOM 267 CB LEU A2063 -4.743 -3.064 1.000 1.00 0.69 C ATOM 268 CG LEU A2063 -6.042 -2.514 0.438 1.00 0.64 C ATOM 269 CD1 LEU A2063 -6.832 -1.821 1.523 1.00 1.32 C ATOM 270 CD2 LEU A2063 -5.751 -1.570 -0.715 1.00 1.22 C ATOM 0 H LEU A2063 -5.815 -5.246 0.963 1.00 0.50 H new ATOM 0 HA LEU A2063 -3.965 -3.886 -0.820 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -4.911 -3.395 2.025 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -4.005 -2.262 1.040 1.00 0.69 H new ATOM 0 HG LEU A2063 -6.645 -3.340 0.060 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -7.760 -1.432 1.105 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -7.061 -2.532 2.317 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -6.245 -0.998 1.931 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -6.689 -1.180 -1.112 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -5.135 -0.743 -0.362 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -5.220 -2.108 -1.501 1.00 1.22 H new ATOM 282 N ALA A2064 -3.024 -5.736 1.619 1.00 0.39 N ATOM 283 CA ALA A2064 -1.899 -6.384 2.254 1.00 0.38 C ATOM 284 C ALA A2064 -1.028 -7.004 1.177 1.00 0.37 C ATOM 285 O ALA A2064 0.191 -7.114 1.302 1.00 0.51 O ATOM 286 CB ALA A2064 -2.410 -7.439 3.223 1.00 0.38 C ATOM 0 H ALA A2064 -3.926 -6.152 1.852 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.304 -5.665 2.817 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.565 -7.931 3.705 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -3.034 -6.965 3.981 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -2.998 -8.178 2.679 1.00 0.38 H new ATOM 292 N THR A2065 -1.703 -7.388 0.109 1.00 0.28 N ATOM 293 CA THR A2065 -1.083 -7.927 -1.078 1.00 0.28 C ATOM 294 C THR A2065 -0.677 -6.802 -2.032 1.00 0.27 C ATOM 295 O THR A2065 0.394 -6.844 -2.637 1.00 0.25 O ATOM 296 CB THR A2065 -2.072 -8.874 -1.774 1.00 0.36 C ATOM 297 OG1 THR A2065 -2.422 -9.943 -0.884 1.00 0.40 O ATOM 298 CG2 THR A2065 -1.502 -9.441 -3.066 1.00 0.41 C ATOM 0 H THR A2065 -2.719 -7.331 0.046 1.00 0.28 H new ATOM 0 HA THR A2065 -0.184 -8.475 -0.795 1.00 0.28 H new ATOM 0 HB THR A2065 -2.961 -8.298 -2.032 1.00 0.36 H new ATOM 0 HG1 THR A2065 -3.085 -9.625 -0.236 1.00 0.40 H new ATOM 0 HG21 THR A2065 -2.234 -10.105 -3.526 1.00 0.41 H new ATOM 0 HG22 THR A2065 -1.272 -8.625 -3.751 1.00 0.41 H new ATOM 0 HG23 THR A2065 -0.592 -9.999 -2.848 1.00 0.41 H new ATOM 306 N LEU A2066 -1.533 -5.787 -2.130 1.00 0.29 N ATOM 307 CA LEU A2066 -1.302 -4.647 -3.006 1.00 0.28 C ATOM 308 C LEU A2066 -0.021 -3.941 -2.598 1.00 0.23 C ATOM 309 O LEU A2066 0.901 -3.774 -3.393 1.00 0.22 O ATOM 310 CB LEU A2066 -2.468 -3.671 -2.891 1.00 0.32 C ATOM 311 CG LEU A2066 -2.754 -2.799 -4.116 1.00 0.57 C ATOM 312 CD1 LEU A2066 -3.101 -1.386 -3.681 1.00 0.92 C ATOM 313 CD2 LEU A2066 -1.593 -2.779 -5.099 1.00 1.35 C ATOM 0 H LEU A2066 -2.405 -5.734 -1.603 1.00 0.29 H new ATOM 0 HA LEU A2066 -1.215 -4.997 -4.035 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -3.368 -4.241 -2.661 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -2.280 -3.014 -2.041 1.00 0.32 H new ATOM 0 HG LEU A2066 -3.605 -3.240 -4.636 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -3.303 -0.774 -4.560 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -3.985 -1.408 -3.044 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -2.265 -0.960 -3.127 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -1.847 -2.146 -5.949 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -0.705 -2.384 -4.605 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -1.394 -3.792 -5.447 1.00 1.35 H new ATOM 325 N VAL A2067 0.017 -3.548 -1.336 1.00 0.21 N ATOM 326 CA VAL A2067 1.149 -2.843 -0.775 1.00 0.18 C ATOM 327 C VAL A2067 2.427 -3.657 -0.936 1.00 0.16 C ATOM 328 O VAL A2067 3.495 -3.130 -1.258 1.00 0.17 O ATOM 329 CB VAL A2067 0.916 -2.553 0.722 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.182 -2.041 1.379 1.00 0.20 C ATOM 331 CG2 VAL A2067 -0.220 -1.556 0.908 1.00 0.22 C ATOM 0 H VAL A2067 -0.740 -3.711 -0.673 1.00 0.21 H new ATOM 0 HA VAL A2067 1.256 -1.902 -1.314 1.00 0.18 H new ATOM 0 HB VAL A2067 0.636 -3.489 1.205 1.00 0.19 H new ATOM 0 HG11 VAL A2067 1.991 -1.844 2.434 1.00 0.20 H new ATOM 0 HG12 VAL A2067 2.968 -2.790 1.286 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.499 -1.120 0.890 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.367 -1.366 1.971 1.00 0.22 H new ATOM 0 HG22 VAL A2067 0.029 -0.622 0.404 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -1.136 -1.965 0.482 1.00 0.22 H new ATOM 341 N ALA A2068 2.292 -4.952 -0.722 1.00 0.15 N ATOM 342 CA ALA A2068 3.406 -5.868 -0.808 1.00 0.15 C ATOM 343 C ALA A2068 3.936 -5.956 -2.236 1.00 0.14 C ATOM 344 O ALA A2068 5.136 -5.835 -2.465 1.00 0.13 O ATOM 345 CB ALA A2068 2.963 -7.221 -0.291 1.00 0.17 C ATOM 0 H ALA A2068 1.405 -5.396 -0.484 1.00 0.15 H new ATOM 0 HA ALA A2068 4.229 -5.504 -0.193 1.00 0.15 H new ATOM 0 HB1 ALA A2068 3.795 -7.923 -0.350 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.641 -7.127 0.746 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.134 -7.588 -0.896 1.00 0.17 H new ATOM 351 N ALA A2069 3.032 -6.148 -3.190 1.00 0.17 N ATOM 352 CA ALA A2069 3.388 -6.175 -4.603 1.00 0.18 C ATOM 353 C ALA A2069 3.988 -4.847 -5.037 1.00 0.19 C ATOM 354 O ALA A2069 4.832 -4.791 -5.938 1.00 0.21 O ATOM 355 CB ALA A2069 2.163 -6.490 -5.450 1.00 0.23 C ATOM 0 H ALA A2069 2.038 -6.288 -3.007 1.00 0.17 H new ATOM 0 HA ALA A2069 4.134 -6.956 -4.749 1.00 0.18 H new ATOM 0 HB1 ALA A2069 2.443 -6.507 -6.503 1.00 0.23 H new ATOM 0 HB2 ALA A2069 1.764 -7.464 -5.165 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.403 -5.725 -5.289 1.00 0.23 H new ATOM 361 N ALA A2070 3.559 -3.782 -4.373 1.00 0.19 N ATOM 362 CA ALA A2070 4.015 -2.449 -4.686 1.00 0.21 C ATOM 363 C ALA A2070 5.491 -2.309 -4.367 1.00 0.20 C ATOM 364 O ALA A2070 6.267 -1.802 -5.177 1.00 0.23 O ATOM 365 CB ALA A2070 3.200 -1.420 -3.917 1.00 0.24 C ATOM 0 H ALA A2070 2.888 -3.825 -3.606 1.00 0.19 H new ATOM 0 HA ALA A2070 3.876 -2.272 -5.752 1.00 0.21 H new ATOM 0 HB1 ALA A2070 3.554 -0.419 -4.162 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.149 -1.510 -4.191 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.313 -1.593 -2.847 1.00 0.24 H new ATOM 371 N THR A2071 5.893 -2.792 -3.197 1.00 0.18 N ATOM 372 CA THR A2071 7.271 -2.631 -2.780 1.00 0.21 C ATOM 373 C THR A2071 8.112 -3.776 -3.309 1.00 0.21 C ATOM 374 O THR A2071 9.301 -3.627 -3.546 1.00 0.27 O ATOM 375 CB THR A2071 7.407 -2.470 -1.258 1.00 0.22 C ATOM 376 OG1 THR A2071 8.752 -2.156 -0.904 1.00 0.28 O ATOM 377 CG2 THR A2071 6.969 -3.713 -0.523 1.00 0.23 C ATOM 0 H THR A2071 5.295 -3.288 -2.536 1.00 0.18 H new ATOM 0 HA THR A2071 7.646 -1.703 -3.211 1.00 0.21 H new ATOM 0 HB THR A2071 6.753 -1.650 -0.962 1.00 0.22 H new ATOM 0 HG1 THR A2071 8.819 -2.056 0.069 1.00 0.28 H new ATOM 0 HG21 THR A2071 7.080 -3.559 0.550 1.00 0.23 H new ATOM 0 HG22 THR A2071 5.924 -3.923 -0.753 1.00 0.23 H new ATOM 0 HG23 THR A2071 7.586 -4.556 -0.835 1.00 0.23 H new ATOM 385 N ALA A2072 7.476 -4.910 -3.542 1.00 0.18 N ATOM 386 CA ALA A2072 8.087 -5.985 -4.302 1.00 0.22 C ATOM 387 C ALA A2072 8.654 -5.416 -5.591 1.00 0.26 C ATOM 388 O ALA A2072 9.793 -5.691 -5.963 1.00 0.31 O ATOM 389 CB ALA A2072 7.036 -7.033 -4.601 1.00 0.22 C ATOM 0 H ALA A2072 6.531 -5.111 -3.214 1.00 0.18 H new ATOM 0 HA ALA A2072 8.895 -6.446 -3.733 1.00 0.22 H new ATOM 0 HB1 ALA A2072 7.485 -7.846 -5.172 1.00 0.22 H new ATOM 0 HB2 ALA A2072 6.636 -7.424 -3.666 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.229 -6.584 -5.181 1.00 0.22 H new ATOM 395 N THR A2073 7.852 -4.589 -6.235 1.00 0.27 N ATOM 396 CA THR A2073 8.263 -3.891 -7.431 1.00 0.34 C ATOM 397 C THR A2073 9.297 -2.809 -7.104 1.00 0.37 C ATOM 398 O THR A2073 10.361 -2.745 -7.715 1.00 0.43 O ATOM 399 CB THR A2073 7.041 -3.248 -8.108 1.00 0.38 C ATOM 400 OG1 THR A2073 6.046 -4.251 -8.367 1.00 0.40 O ATOM 401 CG2 THR A2073 7.437 -2.563 -9.401 1.00 0.46 C ATOM 0 H THR A2073 6.897 -4.384 -5.941 1.00 0.27 H new ATOM 0 HA THR A2073 8.718 -4.613 -8.108 1.00 0.34 H new ATOM 0 HB THR A2073 6.630 -2.495 -7.436 1.00 0.38 H new ATOM 0 HG1 THR A2073 5.586 -4.479 -7.532 1.00 0.40 H new ATOM 0 HG21 THR A2073 6.556 -2.116 -9.861 1.00 0.46 H new ATOM 0 HG22 THR A2073 8.171 -1.785 -9.191 1.00 0.46 H new ATOM 0 HG23 THR A2073 7.870 -3.295 -10.083 1.00 0.46 H new ATOM 409 N VAL A2074 8.978 -1.980 -6.116 1.00 0.36 N ATOM 410 CA VAL A2074 9.787 -0.845 -5.739 1.00 0.41 C ATOM 411 C VAL A2074 11.215 -1.226 -5.294 1.00 0.47 C ATOM 412 O VAL A2074 12.167 -0.506 -5.597 1.00 0.56 O ATOM 413 CB VAL A2074 9.023 -0.072 -4.648 1.00 0.38 C ATOM 414 CG1 VAL A2074 9.804 0.080 -3.361 1.00 0.38 C ATOM 415 CG2 VAL A2074 8.562 1.265 -5.174 1.00 0.37 C ATOM 0 H VAL A2074 8.136 -2.086 -5.551 1.00 0.36 H new ATOM 0 HA VAL A2074 9.943 -0.214 -6.614 1.00 0.41 H new ATOM 0 HB VAL A2074 8.149 -0.671 -4.393 1.00 0.38 H new ATOM 0 HG11 VAL A2074 9.207 0.634 -2.636 1.00 0.38 H new ATOM 0 HG12 VAL A2074 10.039 -0.906 -2.960 1.00 0.38 H new ATOM 0 HG13 VAL A2074 10.729 0.622 -3.559 1.00 0.38 H new ATOM 0 HG21 VAL A2074 8.024 1.798 -4.390 1.00 0.37 H new ATOM 0 HG22 VAL A2074 9.427 1.852 -5.484 1.00 0.37 H new ATOM 0 HG23 VAL A2074 7.902 1.112 -6.028 1.00 0.37 H new ATOM 425 N LEU A2075 11.373 -2.347 -4.590 1.00 0.43 N ATOM 426 CA LEU A2075 12.695 -2.782 -4.149 1.00 0.52 C ATOM 427 C LEU A2075 13.382 -3.601 -5.241 1.00 0.60 C ATOM 428 O LEU A2075 14.563 -3.935 -5.140 1.00 0.74 O ATOM 429 CB LEU A2075 12.582 -3.621 -2.874 1.00 0.49 C ATOM 430 CG LEU A2075 11.483 -3.184 -1.902 1.00 0.44 C ATOM 431 CD1 LEU A2075 11.235 -4.249 -0.851 1.00 0.46 C ATOM 432 CD2 LEU A2075 11.822 -1.859 -1.243 1.00 0.52 C ATOM 0 H LEU A2075 10.609 -2.964 -4.316 1.00 0.43 H new ATOM 0 HA LEU A2075 13.293 -1.895 -3.942 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.404 -4.659 -3.156 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.539 -3.592 -2.353 1.00 0.49 H new ATOM 0 HG LEU A2075 10.569 -3.049 -2.480 1.00 0.44 H new ATOM 0 HD11 LEU A2075 10.450 -3.915 -0.173 1.00 0.46 H new ATOM 0 HD12 LEU A2075 10.925 -5.174 -1.337 1.00 0.46 H new ATOM 0 HD13 LEU A2075 12.151 -4.424 -0.287 1.00 0.46 H new ATOM 0 HD21 LEU A2075 11.021 -1.577 -0.559 1.00 0.52 H new ATOM 0 HD22 LEU A2075 12.755 -1.957 -0.689 1.00 0.52 H new ATOM 0 HD23 LEU A2075 11.933 -1.090 -2.008 1.00 0.52 H new ATOM 444 N GLY A2076 12.620 -3.931 -6.278 1.00 0.57 N ATOM 445 CA GLY A2076 13.167 -4.656 -7.407 1.00 0.67 C ATOM 446 C GLY A2076 13.279 -6.148 -7.160 1.00 0.65 C ATOM 447 O GLY A2076 14.316 -6.746 -7.441 1.00 0.93 O ATOM 0 H GLY A2076 11.628 -3.707 -6.356 1.00 0.57 H new ATOM 0 HA2 GLY A2076 12.537 -4.485 -8.280 1.00 0.67 H new ATOM 0 HA3 GLY A2076 14.154 -4.258 -7.643 1.00 0.67 H new ATOM 451 N HIS A2077 12.219 -6.762 -6.639 1.00 0.51 N ATOM 452 CA HIS A2077 12.249 -8.198 -6.375 1.00 0.66 C ATOM 453 C HIS A2077 10.934 -8.883 -6.769 1.00 0.68 C ATOM 454 O HIS A2077 10.815 -10.103 -6.682 1.00 0.97 O ATOM 455 CB HIS A2077 12.623 -8.475 -4.911 1.00 0.81 C ATOM 456 CG HIS A2077 11.545 -8.272 -3.900 1.00 0.50 C ATOM 457 ND1 HIS A2077 10.870 -9.312 -3.313 1.00 0.54 N ATOM 458 CD2 HIS A2077 11.099 -7.151 -3.303 1.00 0.74 C ATOM 459 CE1 HIS A2077 10.058 -8.839 -2.395 1.00 0.61 C ATOM 460 NE2 HIS A2077 10.177 -7.526 -2.363 1.00 0.80 N ATOM 0 H HIS A2077 11.344 -6.298 -6.395 1.00 0.51 H new ATOM 0 HA HIS A2077 13.024 -8.634 -7.005 1.00 0.66 H new ATOM 0 HB2 HIS A2077 12.971 -9.505 -4.837 1.00 0.81 H new ATOM 0 HB3 HIS A2077 13.464 -7.834 -4.646 1.00 0.81 H new ATOM 0 HD1 HIS A2077 10.981 -10.297 -3.552 1.00 0.54 H new ATOM 0 HD2 HIS A2077 11.411 -6.141 -3.525 1.00 0.74 H new ATOM 0 HE1 HIS A2077 9.402 -9.427 -1.770 1.00 0.61 H new ATOM 469 N HIS A2078 9.957 -8.074 -7.185 1.00 0.62 N ATOM 470 CA HIS A2078 8.708 -8.540 -7.815 1.00 0.69 C ATOM 471 C HIS A2078 7.751 -9.297 -6.888 1.00 0.80 C ATOM 472 O HIS A2078 6.544 -9.071 -6.949 1.00 1.56 O ATOM 473 CB HIS A2078 8.995 -9.377 -9.063 1.00 0.81 C ATOM 474 CG HIS A2078 9.462 -8.554 -10.221 1.00 0.88 C ATOM 475 ND1 HIS A2078 8.632 -7.706 -10.919 1.00 0.93 N ATOM 476 CD2 HIS A2078 10.686 -8.426 -10.781 1.00 0.96 C ATOM 477 CE1 HIS A2078 9.325 -7.090 -11.856 1.00 1.03 C ATOM 478 NE2 HIS A2078 10.575 -7.508 -11.796 1.00 1.05 N ATOM 0 H HIS A2078 10.007 -7.059 -7.095 1.00 0.62 H new ATOM 0 HA HIS A2078 8.189 -7.622 -8.089 1.00 0.69 H new ATOM 0 HB2 HIS A2078 9.752 -10.125 -8.827 1.00 0.81 H new ATOM 0 HB3 HIS A2078 8.092 -9.917 -9.348 1.00 0.81 H new ATOM 0 HD2 HIS A2078 11.584 -8.948 -10.485 1.00 0.96 H new ATOM 0 HE1 HIS A2078 8.935 -6.365 -12.555 1.00 1.03 H new ATOM 0 HE2 HIS A2078 11.334 -7.200 -12.404 1.00 1.05 H new ATOM 487 N THR A2079 8.255 -10.185 -6.043 1.00 0.64 N ATOM 488 CA THR A2079 7.375 -11.014 -5.232 1.00 0.67 C ATOM 489 C THR A2079 6.752 -10.274 -4.051 1.00 0.44 C ATOM 490 O THR A2079 7.452 -9.732 -3.201 1.00 0.54 O ATOM 491 CB THR A2079 8.072 -12.232 -4.662 1.00 1.02 C ATOM 492 OG1 THR A2079 9.366 -11.878 -4.152 1.00 1.82 O ATOM 493 CG2 THR A2079 8.198 -13.334 -5.685 1.00 0.59 C ATOM 0 H THR A2079 9.252 -10.349 -5.902 1.00 0.64 H new ATOM 0 HA THR A2079 6.597 -11.310 -5.935 1.00 0.67 H new ATOM 0 HB THR A2079 7.457 -12.607 -3.844 1.00 1.02 H new ATOM 0 HG1 THR A2079 9.865 -12.692 -3.933 1.00 1.82 H new ATOM 0 HG21 THR A2079 8.703 -14.190 -5.237 1.00 0.59 H new ATOM 0 HG22 THR A2079 7.205 -13.634 -6.021 1.00 0.59 H new ATOM 0 HG23 THR A2079 8.777 -12.976 -6.536 1.00 0.59 H new ATOM 501 N PRO A2080 5.422 -10.274 -3.969 1.00 0.29 N ATOM 502 CA PRO A2080 4.672 -9.707 -2.852 1.00 0.32 C ATOM 503 C PRO A2080 4.541 -10.707 -1.711 1.00 0.45 C ATOM 504 O PRO A2080 4.226 -10.349 -0.578 1.00 0.51 O ATOM 505 CB PRO A2080 3.295 -9.417 -3.475 1.00 0.39 C ATOM 506 CG PRO A2080 3.456 -9.725 -4.928 1.00 0.39 C ATOM 507 CD PRO A2080 4.513 -10.782 -4.976 1.00 0.32 C ATOM 0 HA PRO A2080 5.151 -8.828 -2.420 1.00 0.32 H new ATOM 0 HB2 PRO A2080 2.519 -10.036 -3.024 1.00 0.39 H new ATOM 0 HB3 PRO A2080 3.003 -8.378 -3.322 1.00 0.39 H new ATOM 0 HG2 PRO A2080 2.522 -10.079 -5.364 1.00 0.39 H new ATOM 0 HG3 PRO A2080 3.755 -8.840 -5.490 1.00 0.39 H new ATOM 0 HD2 PRO A2080 4.126 -11.770 -4.728 1.00 0.32 H new ATOM 0 HD3 PRO A2080 4.980 -10.860 -5.958 1.00 0.32 H new ATOM 515 N GLU A2081 4.787 -11.971 -2.028 1.00 0.53 N ATOM 516 CA GLU A2081 4.756 -13.030 -1.034 1.00 0.64 C ATOM 517 C GLU A2081 6.047 -13.024 -0.227 1.00 0.56 C ATOM 518 O GLU A2081 6.112 -13.576 0.869 1.00 0.70 O ATOM 519 CB GLU A2081 4.552 -14.386 -1.712 1.00 0.84 C ATOM 520 CG GLU A2081 5.642 -14.743 -2.708 1.00 0.93 C ATOM 521 CD GLU A2081 5.322 -15.993 -3.493 1.00 1.28 C ATOM 522 OE1 GLU A2081 4.934 -15.873 -4.671 1.00 1.54 O ATOM 523 OE2 GLU A2081 5.448 -17.104 -2.937 1.00 1.45 O ATOM 0 H GLU A2081 5.011 -12.287 -2.972 1.00 0.53 H new ATOM 0 HA GLU A2081 3.921 -12.856 -0.356 1.00 0.64 H new ATOM 0 HB2 GLU A2081 4.504 -15.161 -0.947 1.00 0.84 H new ATOM 0 HB3 GLU A2081 3.590 -14.384 -2.225 1.00 0.84 H new ATOM 0 HG2 GLU A2081 5.786 -13.911 -3.398 1.00 0.93 H new ATOM 0 HG3 GLU A2081 6.583 -14.883 -2.177 1.00 0.93 H new ATOM 530 N SER A2082 7.069 -12.374 -0.772 1.00 0.43 N ATOM 531 CA SER A2082 8.350 -12.256 -0.090 1.00 0.43 C ATOM 532 C SER A2082 8.396 -10.959 0.715 1.00 0.33 C ATOM 533 O SER A2082 9.465 -10.444 1.036 1.00 0.38 O ATOM 534 CB SER A2082 9.482 -12.301 -1.113 1.00 0.54 C ATOM 535 OG SER A2082 10.756 -12.367 -0.493 1.00 0.63 O ATOM 0 H SER A2082 7.034 -11.921 -1.685 1.00 0.43 H new ATOM 0 HA SER A2082 8.472 -13.090 0.601 1.00 0.43 H new ATOM 0 HB2 SER A2082 9.350 -13.166 -1.762 1.00 0.54 H new ATOM 0 HB3 SER A2082 9.433 -11.416 -1.747 1.00 0.54 H new ATOM 0 HG SER A2082 10.783 -11.747 0.266 1.00 0.63 H new ATOM 541 N ILE A2083 7.221 -10.435 1.025 1.00 0.25 N ATOM 542 CA ILE A2083 7.102 -9.187 1.764 1.00 0.17 C ATOM 543 C ILE A2083 6.647 -9.455 3.193 1.00 0.15 C ATOM 544 O ILE A2083 5.603 -10.073 3.412 1.00 0.22 O ATOM 545 CB ILE A2083 6.090 -8.248 1.078 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.429 -8.112 -0.403 1.00 0.18 C ATOM 547 CG2 ILE A2083 6.072 -6.875 1.745 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.639 -7.257 -0.671 1.00 0.22 C ATOM 0 H ILE A2083 6.328 -10.859 0.774 1.00 0.25 H new ATOM 0 HA ILE A2083 8.082 -8.711 1.781 1.00 0.17 H new ATOM 0 HB ILE A2083 5.096 -8.683 1.180 1.00 0.13 H new ATOM 0 HG12 ILE A2083 6.597 -9.105 -0.821 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.572 -7.687 -0.925 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.349 -6.235 1.240 1.00 0.12 H new ATOM 0 HG22 ILE A2083 5.791 -6.983 2.793 1.00 0.12 H new ATOM 0 HG23 ILE A2083 7.063 -6.426 1.680 1.00 0.12 H new ATOM 0 HD11 ILE A2083 7.818 -7.207 -1.745 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.468 -6.252 -0.284 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.508 -7.692 -0.178 1.00 0.22 H new ATOM 560 N SER A2084 7.443 -9.012 4.153 1.00 0.14 N ATOM 561 CA SER A2084 7.093 -9.140 5.558 1.00 0.14 C ATOM 562 C SER A2084 6.368 -7.886 6.033 1.00 0.12 C ATOM 563 O SER A2084 6.974 -6.820 6.140 1.00 0.12 O ATOM 564 CB SER A2084 8.352 -9.357 6.397 1.00 0.19 C ATOM 565 OG SER A2084 9.101 -10.461 5.915 1.00 0.28 O ATOM 0 H SER A2084 8.341 -8.558 3.983 1.00 0.14 H new ATOM 0 HA SER A2084 6.434 -10.000 5.677 1.00 0.14 H new ATOM 0 HB2 SER A2084 8.968 -8.458 6.374 1.00 0.19 H new ATOM 0 HB3 SER A2084 8.075 -9.528 7.437 1.00 0.19 H new ATOM 0 HG SER A2084 9.902 -10.579 6.467 1.00 0.28 H new ATOM 571 N PRO A2085 5.061 -7.994 6.322 1.00 0.12 N ATOM 572 CA PRO A2085 4.253 -6.852 6.753 1.00 0.12 C ATOM 573 C PRO A2085 4.682 -6.311 8.101 1.00 0.12 C ATOM 574 O PRO A2085 4.486 -5.132 8.398 1.00 0.13 O ATOM 575 CB PRO A2085 2.835 -7.408 6.852 1.00 0.15 C ATOM 576 CG PRO A2085 2.992 -8.887 6.950 1.00 0.15 C ATOM 577 CD PRO A2085 4.271 -9.233 6.242 1.00 0.14 C ATOM 0 HA PRO A2085 4.352 -6.020 6.055 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.318 -7.010 7.725 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.244 -7.133 5.978 1.00 0.15 H new ATOM 0 HG2 PRO A2085 3.029 -9.204 7.992 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.145 -9.397 6.491 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.783 -10.066 6.724 1.00 0.14 H new ATOM 0 HD3 PRO A2085 4.090 -9.526 5.208 1.00 0.14 H new ATOM 585 N ALA A2086 5.251 -7.181 8.912 1.00 0.11 N ATOM 586 CA ALA A2086 5.678 -6.799 10.243 1.00 0.12 C ATOM 587 C ALA A2086 6.965 -5.981 10.204 1.00 0.11 C ATOM 588 O ALA A2086 7.196 -5.131 11.068 1.00 0.14 O ATOM 589 CB ALA A2086 5.853 -8.030 11.116 1.00 0.14 C ATOM 0 H ALA A2086 5.428 -8.157 8.673 1.00 0.11 H new ATOM 0 HA ALA A2086 4.900 -6.170 10.676 1.00 0.12 H new ATOM 0 HB1 ALA A2086 6.174 -7.727 12.113 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.905 -8.564 11.187 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.606 -8.684 10.676 1.00 0.14 H new ATOM 595 N THR A2087 7.802 -6.235 9.206 1.00 0.10 N ATOM 596 CA THR A2087 9.006 -5.454 9.020 1.00 0.11 C ATOM 597 C THR A2087 8.638 -4.102 8.455 1.00 0.10 C ATOM 598 O THR A2087 7.691 -3.967 7.681 1.00 0.10 O ATOM 599 CB THR A2087 9.995 -6.121 8.051 1.00 0.14 C ATOM 600 OG1 THR A2087 10.263 -7.469 8.456 1.00 0.16 O ATOM 601 CG2 THR A2087 11.304 -5.336 7.961 1.00 0.16 C ATOM 0 H THR A2087 7.665 -6.975 8.517 1.00 0.10 H new ATOM 0 HA THR A2087 9.487 -5.366 9.994 1.00 0.11 H new ATOM 0 HB THR A2087 9.533 -6.129 7.064 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.893 -7.880 7.828 1.00 0.16 H new ATOM 0 HG21 THR A2087 11.981 -5.835 7.267 1.00 0.16 H new ATOM 0 HG22 THR A2087 11.099 -4.326 7.605 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.767 -5.286 8.947 1.00 0.16 H new ATOM 609 N ALA A2088 9.399 -3.117 8.836 1.00 0.12 N ATOM 610 CA ALA A2088 9.179 -1.771 8.370 1.00 0.12 C ATOM 611 C ALA A2088 9.799 -1.602 7.008 1.00 0.11 C ATOM 612 O ALA A2088 10.850 -2.179 6.729 1.00 0.12 O ATOM 613 CB ALA A2088 9.742 -0.762 9.349 1.00 0.15 C ATOM 0 H ALA A2088 10.187 -3.219 9.475 1.00 0.12 H new ATOM 0 HA ALA A2088 8.106 -1.593 8.295 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.564 0.246 8.975 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.254 -0.882 10.316 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.814 -0.923 9.461 1.00 0.15 H new ATOM 619 N PHE A2089 9.141 -0.829 6.165 1.00 0.10 N ATOM 620 CA PHE A2089 9.608 -0.592 4.802 1.00 0.09 C ATOM 621 C PHE A2089 11.080 -0.226 4.763 1.00 0.09 C ATOM 622 O PHE A2089 11.807 -0.655 3.868 1.00 0.12 O ATOM 623 CB PHE A2089 8.791 0.510 4.155 1.00 0.09 C ATOM 624 CG PHE A2089 7.484 0.030 3.615 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.447 -0.866 2.561 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.297 0.463 4.165 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.244 -1.321 2.069 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.092 0.013 3.674 1.00 0.12 C ATOM 629 CZ PHE A2089 5.066 -0.881 2.626 1.00 0.10 C ATOM 0 H PHE A2089 8.272 -0.348 6.398 1.00 0.10 H new ATOM 0 HA PHE A2089 9.479 -1.521 4.247 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.608 1.296 4.887 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.370 0.956 3.346 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.370 -1.212 2.120 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.312 1.162 4.989 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.226 -2.022 1.248 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.167 0.361 4.110 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.121 -1.236 2.242 1.00 0.10 H new ATOM 639 N LYS A2090 11.503 0.579 5.725 1.00 0.12 N ATOM 640 CA LYS A2090 12.902 0.906 5.892 1.00 0.16 C ATOM 641 C LYS A2090 13.767 -0.339 5.810 1.00 0.17 C ATOM 642 O LYS A2090 14.564 -0.504 4.886 1.00 0.20 O ATOM 643 CB LYS A2090 13.129 1.563 7.246 1.00 0.21 C ATOM 644 CG LYS A2090 14.586 1.862 7.514 1.00 0.29 C ATOM 645 CD LYS A2090 15.107 2.849 6.501 1.00 0.38 C ATOM 646 CE LYS A2090 16.031 2.188 5.503 1.00 1.54 C ATOM 647 NZ LYS A2090 16.342 3.081 4.355 1.00 1.69 N ATOM 0 H LYS A2090 10.886 1.020 6.407 1.00 0.12 H new ATOM 0 HA LYS A2090 13.179 1.590 5.090 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.557 2.490 7.296 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.746 0.910 8.030 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.703 2.265 8.520 1.00 0.29 H new ATOM 0 HG3 LYS A2090 15.168 0.942 7.469 1.00 0.29 H new ATOM 0 HD2 LYS A2090 14.270 3.307 5.974 1.00 0.38 H new ATOM 0 HD3 LYS A2090 15.638 3.651 7.014 1.00 0.38 H new ATOM 0 HE2 LYS A2090 16.957 1.902 6.001 1.00 1.54 H new ATOM 0 HE3 LYS A2090 15.571 1.271 5.135 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 17.218 2.762 3.895 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 15.560 3.051 3.670 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 16.465 4.056 4.697 1.00 1.69 H new ATOM 661 N ASP A2091 13.588 -1.213 6.785 1.00 0.17 N ATOM 662 CA ASP A2091 14.379 -2.434 6.885 1.00 0.20 C ATOM 663 C ASP A2091 14.128 -3.376 5.706 1.00 0.20 C ATOM 664 O ASP A2091 14.854 -4.350 5.512 1.00 0.32 O ATOM 665 CB ASP A2091 14.096 -3.158 8.203 1.00 0.24 C ATOM 666 CG ASP A2091 14.512 -2.345 9.410 1.00 1.23 C ATOM 667 OD1 ASP A2091 13.625 -1.935 10.188 1.00 2.27 O ATOM 668 OD2 ASP A2091 15.727 -2.114 9.586 1.00 1.15 O ATOM 0 H ASP A2091 12.896 -1.101 7.526 1.00 0.17 H new ATOM 0 HA ASP A2091 15.428 -2.138 6.859 1.00 0.20 H new ATOM 0 HB2 ASP A2091 13.031 -3.383 8.269 1.00 0.24 H new ATOM 0 HB3 ASP A2091 14.624 -4.111 8.211 1.00 0.24 H new ATOM 673 N LEU A2092 13.087 -3.091 4.936 1.00 0.16 N ATOM 674 CA LEU A2092 12.773 -3.854 3.740 1.00 0.18 C ATOM 675 C LEU A2092 13.513 -3.321 2.518 1.00 0.19 C ATOM 676 O LEU A2092 13.574 -3.983 1.485 1.00 0.24 O ATOM 677 CB LEU A2092 11.264 -3.833 3.511 1.00 0.17 C ATOM 678 CG LEU A2092 10.477 -4.555 4.597 1.00 0.19 C ATOM 679 CD1 LEU A2092 8.985 -4.361 4.440 1.00 0.18 C ATOM 680 CD2 LEU A2092 10.821 -6.023 4.576 1.00 0.23 C ATOM 0 H LEU A2092 12.439 -2.326 5.124 1.00 0.16 H new ATOM 0 HA LEU A2092 13.105 -4.882 3.888 1.00 0.18 H new ATOM 0 HB2 LEU A2092 10.927 -2.798 3.456 1.00 0.17 H new ATOM 0 HB3 LEU A2092 11.044 -4.292 2.547 1.00 0.17 H new ATOM 0 HG LEU A2092 10.757 -4.125 5.559 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.463 -4.893 5.236 1.00 0.18 H new ATOM 0 HD12 LEU A2092 8.748 -3.299 4.498 1.00 0.18 H new ATOM 0 HD13 LEU A2092 8.667 -4.751 3.473 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.258 -6.540 5.353 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.566 -6.443 3.603 1.00 0.23 H new ATOM 0 HD23 LEU A2092 11.888 -6.149 4.757 1.00 0.23 H new ATOM 692 N GLY A2093 14.075 -2.127 2.633 1.00 0.16 N ATOM 693 CA GLY A2093 14.880 -1.591 1.553 1.00 0.18 C ATOM 694 C GLY A2093 14.360 -0.277 1.012 1.00 0.15 C ATOM 695 O GLY A2093 14.925 0.271 0.066 1.00 0.20 O ATOM 0 H GLY A2093 13.989 -1.522 3.450 1.00 0.16 H new ATOM 0 HA2 GLY A2093 15.902 -1.451 1.906 1.00 0.18 H new ATOM 0 HA3 GLY A2093 14.919 -2.319 0.743 1.00 0.18 H new ATOM 699 N ILE A2094 13.281 0.229 1.591 1.00 0.13 N ATOM 700 CA ILE A2094 12.708 1.488 1.157 1.00 0.12 C ATOM 701 C ILE A2094 13.603 2.680 1.487 1.00 0.12 C ATOM 702 O ILE A2094 14.066 2.841 2.622 1.00 0.16 O ATOM 703 CB ILE A2094 11.313 1.669 1.783 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.301 0.844 0.989 1.00 0.18 C ATOM 705 CG2 ILE A2094 10.908 3.134 1.846 1.00 0.18 C ATOM 706 CD1 ILE A2094 9.942 1.445 -0.347 1.00 0.32 C ATOM 0 H ILE A2094 12.786 -0.216 2.364 1.00 0.13 H new ATOM 0 HA ILE A2094 12.619 1.453 0.071 1.00 0.12 H new ATOM 0 HB ILE A2094 11.339 1.313 2.813 1.00 0.12 H new ATOM 0 HG12 ILE A2094 10.705 -0.156 0.831 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.393 0.731 1.582 1.00 0.18 H new ATOM 0 HG21 ILE A2094 9.918 3.219 2.294 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.628 3.685 2.451 1.00 0.18 H new ATOM 0 HG23 ILE A2094 10.887 3.549 0.838 1.00 0.18 H new ATOM 0 HD11 ILE A2094 9.220 0.804 -0.852 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.507 2.433 -0.196 1.00 0.32 H new ATOM 0 HD13 ILE A2094 10.839 1.533 -0.959 1.00 0.32 H new ATOM 718 N ASP A2095 13.857 3.497 0.471 1.00 0.15 N ATOM 719 CA ASP A2095 14.547 4.766 0.652 1.00 0.19 C ATOM 720 C ASP A2095 13.531 5.887 0.549 1.00 0.16 C ATOM 721 O ASP A2095 12.357 5.623 0.313 1.00 0.17 O ATOM 722 CB ASP A2095 15.636 4.976 -0.406 1.00 0.28 C ATOM 723 CG ASP A2095 16.703 3.905 -0.386 1.00 1.04 C ATOM 724 OD1 ASP A2095 17.444 3.820 0.615 1.00 1.23 O ATOM 725 OD2 ASP A2095 16.798 3.136 -1.364 1.00 1.86 O ATOM 0 H ASP A2095 13.592 3.299 -0.494 1.00 0.15 H new ATOM 0 HA ASP A2095 15.028 4.761 1.630 1.00 0.19 H new ATOM 0 HB2 ASP A2095 15.174 5.001 -1.393 1.00 0.28 H new ATOM 0 HB3 ASP A2095 16.103 5.948 -0.248 1.00 0.28 H new ATOM 730 N SER A2096 13.961 7.128 0.695 1.00 0.19 N ATOM 731 CA SER A2096 13.047 8.255 0.556 1.00 0.20 C ATOM 732 C SER A2096 12.482 8.312 -0.866 1.00 0.17 C ATOM 733 O SER A2096 11.324 8.683 -1.081 1.00 0.20 O ATOM 734 CB SER A2096 13.766 9.556 0.904 1.00 0.26 C ATOM 735 OG SER A2096 14.342 9.485 2.195 1.00 1.32 O ATOM 0 H SER A2096 14.926 7.382 0.907 1.00 0.19 H new ATOM 0 HA SER A2096 12.215 8.122 1.247 1.00 0.20 H new ATOM 0 HB2 SER A2096 14.542 9.756 0.166 1.00 0.26 H new ATOM 0 HB3 SER A2096 13.063 10.388 0.860 1.00 0.26 H new ATOM 0 HG SER A2096 14.799 10.328 2.396 1.00 1.32 H new ATOM 741 N LEU A2097 13.310 7.921 -1.828 1.00 0.17 N ATOM 742 CA LEU A2097 12.944 7.867 -3.216 1.00 0.19 C ATOM 743 C LEU A2097 11.832 6.872 -3.447 1.00 0.18 C ATOM 744 O LEU A2097 10.798 7.199 -4.011 1.00 0.24 O ATOM 745 CB LEU A2097 14.175 7.430 -3.972 1.00 0.23 C ATOM 746 CG LEU A2097 14.219 7.797 -5.432 1.00 1.07 C ATOM 747 CD1 LEU A2097 13.941 9.278 -5.605 1.00 1.61 C ATOM 748 CD2 LEU A2097 15.582 7.435 -5.971 1.00 1.55 C ATOM 0 H LEU A2097 14.271 7.629 -1.649 1.00 0.17 H new ATOM 0 HA LEU A2097 12.587 8.841 -3.550 1.00 0.19 H new ATOM 0 HB2 LEU A2097 15.049 7.860 -3.483 1.00 0.23 H new ATOM 0 HB3 LEU A2097 14.264 6.347 -3.887 1.00 0.23 H new ATOM 0 HG LEU A2097 13.454 7.251 -5.984 1.00 1.07 H new ATOM 0 HD11 LEU A2097 13.975 9.533 -6.664 1.00 1.61 H new ATOM 0 HD12 LEU A2097 12.954 9.512 -5.207 1.00 1.61 H new ATOM 0 HD13 LEU A2097 14.694 9.855 -5.068 1.00 1.61 H new ATOM 0 HD21 LEU A2097 15.635 7.693 -7.029 1.00 1.55 H new ATOM 0 HD22 LEU A2097 16.347 7.986 -5.424 1.00 1.55 H new ATOM 0 HD23 LEU A2097 15.749 6.365 -5.850 1.00 1.55 H new ATOM 760 N THR A2098 12.049 5.649 -3.027 1.00 0.14 N ATOM 761 CA THR A2098 11.036 4.641 -3.186 1.00 0.15 C ATOM 762 C THR A2098 9.866 4.828 -2.236 1.00 0.16 C ATOM 763 O THR A2098 8.770 4.367 -2.518 1.00 0.17 O ATOM 764 CB THR A2098 11.580 3.226 -3.087 1.00 0.15 C ATOM 765 OG1 THR A2098 12.758 3.201 -2.266 1.00 0.17 O ATOM 766 CG2 THR A2098 11.878 2.708 -4.482 1.00 0.19 C ATOM 0 H THR A2098 12.908 5.333 -2.578 1.00 0.14 H new ATOM 0 HA THR A2098 10.666 4.777 -4.202 1.00 0.15 H new ATOM 0 HB THR A2098 10.836 2.579 -2.621 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.098 2.283 -2.209 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.269 1.693 -4.417 1.00 0.19 H new ATOM 0 HG22 THR A2098 10.962 2.707 -5.073 1.00 0.19 H new ATOM 0 HG23 THR A2098 12.617 3.352 -4.959 1.00 0.19 H new ATOM 774 N ALA A2099 10.089 5.486 -1.108 1.00 0.16 N ATOM 775 CA ALA A2099 8.980 5.888 -0.248 1.00 0.18 C ATOM 776 C ALA A2099 8.042 6.810 -1.020 1.00 0.21 C ATOM 777 O ALA A2099 6.871 6.979 -0.682 1.00 0.24 O ATOM 778 CB ALA A2099 9.488 6.580 1.005 1.00 0.18 C ATOM 0 H ALA A2099 11.013 5.751 -0.768 1.00 0.16 H new ATOM 0 HA ALA A2099 8.435 4.995 0.059 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.642 6.870 1.629 1.00 0.18 H new ATOM 0 HB2 ALA A2099 10.133 5.899 1.561 1.00 0.18 H new ATOM 0 HB3 ALA A2099 10.054 7.469 0.726 1.00 0.18 H new ATOM 784 N LEU A2100 8.588 7.381 -2.073 1.00 0.20 N ATOM 785 CA LEU A2100 7.856 8.226 -2.980 1.00 0.24 C ATOM 786 C LEU A2100 7.206 7.341 -4.034 1.00 0.20 C ATOM 787 O LEU A2100 6.000 7.395 -4.258 1.00 0.21 O ATOM 788 CB LEU A2100 8.863 9.234 -3.570 1.00 0.30 C ATOM 789 CG LEU A2100 8.516 9.969 -4.869 1.00 0.24 C ATOM 790 CD1 LEU A2100 8.665 9.084 -6.096 1.00 1.03 C ATOM 791 CD2 LEU A2100 7.130 10.597 -4.794 1.00 1.15 C ATOM 0 H LEU A2100 9.570 7.266 -2.323 1.00 0.20 H new ATOM 0 HA LEU A2100 7.056 8.786 -2.495 1.00 0.24 H new ATOM 0 HB2 LEU A2100 9.055 9.989 -2.808 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.800 8.702 -3.735 1.00 0.30 H new ATOM 0 HG LEU A2100 9.242 10.775 -4.980 1.00 0.24 H new ATOM 0 HD11 LEU A2100 8.407 9.654 -6.989 1.00 1.03 H new ATOM 0 HD12 LEU A2100 9.696 8.738 -6.172 1.00 1.03 H new ATOM 0 HD13 LEU A2100 7.999 8.225 -6.008 1.00 1.03 H new ATOM 0 HD21 LEU A2100 6.912 11.111 -5.730 1.00 1.15 H new ATOM 0 HD22 LEU A2100 6.386 9.818 -4.626 1.00 1.15 H new ATOM 0 HD23 LEU A2100 7.098 11.312 -3.972 1.00 1.15 H new ATOM 803 N GLU A2101 8.032 6.502 -4.641 1.00 0.21 N ATOM 804 CA GLU A2101 7.593 5.582 -5.691 1.00 0.20 C ATOM 805 C GLU A2101 6.499 4.632 -5.212 1.00 0.17 C ATOM 806 O GLU A2101 5.558 4.336 -5.948 1.00 0.17 O ATOM 807 CB GLU A2101 8.779 4.773 -6.194 1.00 0.23 C ATOM 808 CG GLU A2101 9.954 5.641 -6.579 1.00 0.28 C ATOM 809 CD GLU A2101 10.992 4.910 -7.399 1.00 0.33 C ATOM 810 OE1 GLU A2101 12.156 4.830 -6.950 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.648 4.385 -8.474 1.00 0.45 O ATOM 0 H GLU A2101 9.026 6.436 -4.423 1.00 0.21 H new ATOM 0 HA GLU A2101 7.176 6.186 -6.497 1.00 0.20 H new ATOM 0 HB2 GLU A2101 9.089 4.071 -5.420 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.471 4.182 -7.056 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.593 6.500 -7.145 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.422 6.029 -5.674 1.00 0.28 H new ATOM 818 N LEU A2102 6.630 4.142 -3.990 1.00 0.16 N ATOM 819 CA LEU A2102 5.678 3.249 -3.422 1.00 0.16 C ATOM 820 C LEU A2102 4.347 3.946 -3.245 1.00 0.16 C ATOM 821 O LEU A2102 3.320 3.479 -3.734 1.00 0.21 O ATOM 822 CB LEU A2102 6.216 2.769 -2.092 1.00 0.22 C ATOM 823 CG LEU A2102 5.573 1.505 -1.625 1.00 0.53 C ATOM 824 CD1 LEU A2102 5.708 0.464 -2.700 1.00 1.09 C ATOM 825 CD2 LEU A2102 6.188 1.021 -0.336 1.00 1.13 C ATOM 0 H LEU A2102 7.411 4.365 -3.373 1.00 0.16 H new ATOM 0 HA LEU A2102 5.518 2.397 -4.082 1.00 0.16 H new ATOM 0 HB2 LEU A2102 7.292 2.614 -2.176 1.00 0.22 H new ATOM 0 HB3 LEU A2102 6.064 3.546 -1.343 1.00 0.22 H new ATOM 0 HG LEU A2102 4.518 1.695 -1.428 1.00 0.53 H new ATOM 0 HD11 LEU A2102 5.241 -0.464 -2.369 1.00 1.09 H new ATOM 0 HD12 LEU A2102 5.217 0.813 -3.608 1.00 1.09 H new ATOM 0 HD13 LEU A2102 6.764 0.286 -2.904 1.00 1.09 H new ATOM 0 HD21 LEU A2102 5.698 0.099 -0.023 1.00 1.13 H new ATOM 0 HD22 LEU A2102 7.251 0.833 -0.488 1.00 1.13 H new ATOM 0 HD23 LEU A2102 6.060 1.780 0.436 1.00 1.13 H new ATOM 837 N ARG A2103 4.389 5.074 -2.556 1.00 0.18 N ATOM 838 CA ARG A2103 3.242 5.955 -2.429 1.00 0.25 C ATOM 839 C ARG A2103 2.610 6.197 -3.794 1.00 0.22 C ATOM 840 O ARG A2103 1.389 6.152 -3.943 1.00 0.24 O ATOM 841 CB ARG A2103 3.696 7.279 -1.803 1.00 0.37 C ATOM 842 CG ARG A2103 2.650 8.379 -1.832 1.00 0.72 C ATOM 843 CD ARG A2103 2.731 9.228 -3.099 1.00 0.65 C ATOM 844 NE ARG A2103 1.667 10.229 -3.159 1.00 1.21 N ATOM 845 CZ ARG A2103 1.163 10.731 -4.291 1.00 1.49 C ATOM 846 NH1 ARG A2103 1.632 10.345 -5.470 1.00 1.92 N ATOM 847 NH2 ARG A2103 0.190 11.630 -4.234 1.00 2.11 N ATOM 0 H ARG A2103 5.222 5.405 -2.068 1.00 0.18 H new ATOM 0 HA ARG A2103 2.493 5.491 -1.787 1.00 0.25 H new ATOM 0 HB2 ARG A2103 3.985 7.097 -0.768 1.00 0.37 H new ATOM 0 HB3 ARG A2103 4.586 7.628 -2.326 1.00 0.37 H new ATOM 0 HG2 ARG A2103 1.657 7.934 -1.759 1.00 0.72 H new ATOM 0 HG3 ARG A2103 2.777 9.020 -0.960 1.00 0.72 H new ATOM 0 HD2 ARG A2103 3.700 9.726 -3.140 1.00 0.65 H new ATOM 0 HD3 ARG A2103 2.669 8.580 -3.974 1.00 0.65 H new ATOM 0 HE ARG A2103 1.283 10.568 -2.277 1.00 1.21 H new ATOM 0 HH11 ARG A2103 2.385 9.658 -5.519 1.00 1.92 H new ATOM 0 HH12 ARG A2103 1.240 10.735 -6.327 1.00 1.92 H new ATOM 0 HH21 ARG A2103 -0.170 11.935 -3.330 1.00 2.11 H new ATOM 0 HH22 ARG A2103 -0.198 12.016 -5.094 1.00 2.11 H new ATOM 861 N ASN A2104 3.459 6.449 -4.779 1.00 0.21 N ATOM 862 CA ASN A2104 3.025 6.655 -6.145 1.00 0.22 C ATOM 863 C ASN A2104 2.275 5.436 -6.667 1.00 0.23 C ATOM 864 O ASN A2104 1.177 5.561 -7.200 1.00 0.29 O ATOM 865 CB ASN A2104 4.237 6.976 -7.025 1.00 0.23 C ATOM 866 CG ASN A2104 4.646 8.432 -6.921 1.00 0.31 C ATOM 867 OD1 ASN A2104 3.836 9.290 -6.589 1.00 0.40 O ATOM 868 ND2 ASN A2104 5.901 8.724 -7.218 1.00 0.36 N ATOM 0 H ASN A2104 4.469 6.516 -4.649 1.00 0.21 H new ATOM 0 HA ASN A2104 2.336 7.499 -6.175 1.00 0.22 H new ATOM 0 HB2 ASN A2104 5.075 6.343 -6.733 1.00 0.23 H new ATOM 0 HB3 ASN A2104 4.004 6.738 -8.063 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.224 9.691 -7.175 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.546 7.983 -7.490 1.00 0.36 H new ATOM 875 N THR A2105 2.846 4.259 -6.470 1.00 0.21 N ATOM 876 CA THR A2105 2.240 3.024 -6.943 1.00 0.24 C ATOM 877 C THR A2105 0.893 2.768 -6.260 1.00 0.22 C ATOM 878 O THR A2105 -0.086 2.435 -6.927 1.00 0.24 O ATOM 879 CB THR A2105 3.179 1.826 -6.710 1.00 0.28 C ATOM 880 OG1 THR A2105 4.490 2.127 -7.211 1.00 0.33 O ATOM 881 CG2 THR A2105 2.645 0.585 -7.405 1.00 0.28 C ATOM 0 H THR A2105 3.733 4.132 -5.983 1.00 0.21 H new ATOM 0 HA THR A2105 2.069 3.136 -8.014 1.00 0.24 H new ATOM 0 HB THR A2105 3.233 1.635 -5.638 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.908 2.809 -6.645 1.00 0.33 H new ATOM 0 HG21 THR A2105 3.322 -0.251 -7.229 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.659 0.342 -7.009 1.00 0.28 H new ATOM 0 HG23 THR A2105 2.570 0.772 -8.476 1.00 0.28 H new ATOM 889 N LEU A2106 0.837 2.932 -4.938 1.00 0.20 N ATOM 890 CA LEU A2106 -0.420 2.791 -4.205 1.00 0.19 C ATOM 891 C LEU A2106 -1.462 3.781 -4.719 1.00 0.18 C ATOM 892 O LEU A2106 -2.618 3.421 -4.916 1.00 0.22 O ATOM 893 CB LEU A2106 -0.219 2.989 -2.693 1.00 0.28 C ATOM 894 CG LEU A2106 0.281 1.767 -1.907 1.00 0.50 C ATOM 895 CD1 LEU A2106 -0.489 0.523 -2.307 1.00 1.25 C ATOM 896 CD2 LEU A2106 1.771 1.551 -2.097 1.00 1.47 C ATOM 0 H LEU A2106 1.643 3.161 -4.356 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.778 1.775 -4.373 1.00 0.19 H new ATOM 0 HB2 LEU A2106 0.490 3.804 -2.546 1.00 0.28 H new ATOM 0 HB3 LEU A2106 -1.167 3.309 -2.261 1.00 0.28 H new ATOM 0 HG LEU A2106 0.106 1.963 -0.849 1.00 0.50 H new ATOM 0 HD11 LEU A2106 -0.120 -0.331 -1.739 1.00 1.25 H new ATOM 0 HD12 LEU A2106 -1.549 0.668 -2.097 1.00 1.25 H new ATOM 0 HD13 LEU A2106 -0.352 0.337 -3.372 1.00 1.25 H new ATOM 0 HD21 LEU A2106 2.088 0.678 -1.526 1.00 1.47 H new ATOM 0 HD22 LEU A2106 1.983 1.390 -3.154 1.00 1.47 H new ATOM 0 HD23 LEU A2106 2.313 2.430 -1.748 1.00 1.47 H new ATOM 908 N THR A2107 -1.047 5.019 -4.947 1.00 0.19 N ATOM 909 CA THR A2107 -1.908 6.041 -5.465 1.00 0.27 C ATOM 910 C THR A2107 -2.396 5.689 -6.876 1.00 0.29 C ATOM 911 O THR A2107 -3.550 5.934 -7.232 1.00 0.33 O ATOM 912 CB THR A2107 -1.128 7.358 -5.471 1.00 0.37 C ATOM 913 OG1 THR A2107 -0.778 7.722 -4.129 1.00 0.67 O ATOM 914 CG2 THR A2107 -1.931 8.448 -6.101 1.00 0.44 C ATOM 0 H THR A2107 -0.092 5.332 -4.772 1.00 0.19 H new ATOM 0 HA THR A2107 -2.794 6.133 -4.836 1.00 0.27 H new ATOM 0 HB THR A2107 -0.219 7.218 -6.057 1.00 0.37 H new ATOM 0 HG1 THR A2107 0.069 7.295 -3.885 1.00 0.67 H new ATOM 0 HG21 THR A2107 -1.356 9.374 -6.094 1.00 0.44 H new ATOM 0 HG22 THR A2107 -2.169 8.177 -7.129 1.00 0.44 H new ATOM 0 HG23 THR A2107 -2.855 8.590 -5.540 1.00 0.44 H new ATOM 922 N HIS A2108 -1.512 5.089 -7.662 1.00 0.29 N ATOM 923 CA HIS A2108 -1.816 4.675 -9.014 1.00 0.35 C ATOM 924 C HIS A2108 -2.773 3.497 -9.023 1.00 0.35 C ATOM 925 O HIS A2108 -3.540 3.302 -9.963 1.00 0.47 O ATOM 926 CB HIS A2108 -0.510 4.307 -9.702 1.00 0.38 C ATOM 927 CG HIS A2108 0.173 5.491 -10.295 1.00 0.61 C ATOM 928 ND1 HIS A2108 0.716 5.518 -11.560 1.00 0.71 N ATOM 929 CD2 HIS A2108 0.386 6.706 -9.765 1.00 1.06 C ATOM 930 CE1 HIS A2108 1.239 6.711 -11.779 1.00 1.01 C ATOM 931 NE2 HIS A2108 1.050 7.452 -10.702 1.00 1.29 N ATOM 0 H HIS A2108 -0.558 4.877 -7.371 1.00 0.29 H new ATOM 0 HA HIS A2108 -2.305 5.491 -9.546 1.00 0.35 H new ATOM 0 HB2 HIS A2108 0.155 3.830 -8.982 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.709 3.576 -10.485 1.00 0.38 H new ATOM 0 HD2 HIS A2108 0.088 7.035 -8.780 1.00 1.06 H new ATOM 0 HE1 HIS A2108 1.736 7.027 -12.684 1.00 1.01 H new ATOM 0 HE2 HIS A2108 1.349 8.420 -10.587 1.00 1.29 H new ATOM 940 N ASN A2109 -2.720 2.722 -7.962 1.00 0.27 N ATOM 941 CA ASN A2109 -3.561 1.541 -7.837 1.00 0.28 C ATOM 942 C ASN A2109 -4.929 1.878 -7.251 1.00 0.28 C ATOM 943 O ASN A2109 -5.958 1.544 -7.834 1.00 0.36 O ATOM 944 CB ASN A2109 -2.855 0.489 -6.981 1.00 0.28 C ATOM 945 CG ASN A2109 -1.987 -0.437 -7.809 1.00 0.35 C ATOM 946 OD1 ASN A2109 -2.430 -1.494 -8.260 1.00 0.40 O ATOM 947 ND2 ASN A2109 -0.747 -0.039 -8.032 1.00 0.39 N ATOM 0 H ASN A2109 -2.102 2.886 -7.167 1.00 0.27 H new ATOM 0 HA ASN A2109 -3.728 1.140 -8.837 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.240 0.987 -6.231 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.599 -0.098 -6.443 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -0.120 -0.614 -8.595 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -0.416 0.843 -7.641 1.00 0.39 H new ATOM 954 N THR A2110 -4.932 2.591 -6.133 1.00 0.25 N ATOM 955 CA THR A2110 -6.151 2.841 -5.377 1.00 0.26 C ATOM 956 C THR A2110 -6.978 3.919 -6.050 1.00 0.27 C ATOM 957 O THR A2110 -8.210 3.913 -5.990 1.00 0.33 O ATOM 958 CB THR A2110 -5.816 3.260 -3.935 1.00 0.27 C ATOM 959 OG1 THR A2110 -4.909 4.371 -3.950 1.00 0.24 O ATOM 960 CG2 THR A2110 -5.190 2.104 -3.169 1.00 0.29 C ATOM 0 H THR A2110 -4.095 3.010 -5.727 1.00 0.25 H new ATOM 0 HA THR A2110 -6.730 1.918 -5.348 1.00 0.26 H new ATOM 0 HB THR A2110 -6.742 3.549 -3.437 1.00 0.27 H new ATOM 0 HG1 THR A2110 -3.991 4.043 -4.048 1.00 0.24 H new ATOM 0 HG21 THR A2110 -4.961 2.423 -2.152 1.00 0.29 H new ATOM 0 HG22 THR A2110 -5.888 1.267 -3.139 1.00 0.29 H new ATOM 0 HG23 THR A2110 -4.272 1.793 -3.667 1.00 0.29 H new ATOM 968 N GLY A2111 -6.285 4.831 -6.713 1.00 0.23 N ATOM 969 CA GLY A2111 -6.947 5.894 -7.426 1.00 0.26 C ATOM 970 C GLY A2111 -7.273 7.060 -6.520 1.00 0.29 C ATOM 971 O GLY A2111 -7.967 7.997 -6.914 1.00 0.36 O ATOM 0 H GLY A2111 -5.267 4.851 -6.768 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -6.311 6.235 -8.243 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -7.865 5.514 -7.874 1.00 0.26 H new ATOM 975 N LEU A2112 -6.770 6.996 -5.297 1.00 0.28 N ATOM 976 CA LEU A2112 -6.979 8.052 -4.320 1.00 0.34 C ATOM 977 C LEU A2112 -5.832 9.033 -4.376 1.00 0.29 C ATOM 978 O LEU A2112 -5.102 9.107 -5.366 1.00 0.29 O ATOM 979 CB LEU A2112 -7.047 7.484 -2.909 1.00 0.43 C ATOM 980 CG LEU A2112 -7.349 6.001 -2.801 1.00 0.33 C ATOM 981 CD1 LEU A2112 -6.894 5.506 -1.453 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.826 5.714 -2.988 1.00 0.47 C ATOM 0 H LEU A2112 -6.209 6.216 -4.956 1.00 0.28 H new ATOM 0 HA LEU A2112 -7.921 8.546 -4.559 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -6.095 7.677 -2.415 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -7.810 8.031 -2.355 1.00 0.43 H new ATOM 0 HG LEU A2112 -6.813 5.480 -3.595 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -7.107 4.441 -1.366 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -5.822 5.672 -1.347 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -7.424 6.047 -0.669 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -9.002 4.642 -2.904 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -9.398 6.237 -2.222 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.141 6.057 -3.973 1.00 0.47 H new ATOM 994 N ASP A2113 -5.678 9.774 -3.301 1.00 0.28 N ATOM 995 CA ASP A2113 -4.625 10.759 -3.199 1.00 0.28 C ATOM 996 C ASP A2113 -3.993 10.697 -1.828 1.00 0.30 C ATOM 997 O ASP A2113 -4.647 10.916 -0.808 1.00 0.35 O ATOM 998 CB ASP A2113 -5.166 12.144 -3.464 1.00 0.34 C ATOM 999 CG ASP A2113 -4.117 13.224 -3.307 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -3.319 13.422 -4.244 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -4.090 13.887 -2.252 1.00 0.43 O ATOM 0 H ASP A2113 -6.276 9.711 -2.477 1.00 0.28 H new ATOM 0 HA ASP A2113 -3.866 10.538 -3.950 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -5.572 12.183 -4.475 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -5.991 12.344 -2.781 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.726 10.372 -1.834 1.00 0.30 N ATOM 1007 CA LEU A2114 -1.967 10.130 -0.618 1.00 0.30 C ATOM 1008 C LEU A2114 -0.729 11.022 -0.568 1.00 0.30 C ATOM 1009 O LEU A2114 -0.266 11.505 -1.597 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.530 8.661 -0.557 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.648 7.611 -0.466 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -3.680 8.003 0.578 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.302 7.372 -1.820 1.00 0.91 C ATOM 0 H LEU A2114 -2.180 10.265 -2.689 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.607 10.361 0.234 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.933 8.447 -1.444 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -0.875 8.536 0.306 1.00 0.32 H new ATOM 0 HG LEU A2114 -2.192 6.672 -0.153 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -4.460 7.243 0.622 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -3.199 8.086 1.552 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -4.123 8.962 0.310 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -4.088 6.624 -1.717 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -3.734 8.304 -2.185 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -2.553 7.017 -2.528 1.00 0.91 H new ATOM 1025 N PRO A2115 -0.180 11.253 0.632 1.00 0.29 N ATOM 1026 CA PRO A2115 1.070 12.000 0.808 1.00 0.31 C ATOM 1027 C PRO A2115 2.295 11.136 0.529 1.00 0.28 C ATOM 1028 O PRO A2115 2.278 9.930 0.778 1.00 0.25 O ATOM 1029 CB PRO A2115 1.036 12.354 2.291 1.00 0.33 C ATOM 1030 CG PRO A2115 0.342 11.194 2.906 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.740 10.826 1.931 1.00 0.30 C ATOM 0 HA PRO A2115 1.142 12.852 0.132 1.00 0.31 H new ATOM 0 HB2 PRO A2115 2.040 12.483 2.696 1.00 0.33 H new ATOM 0 HB3 PRO A2115 0.498 13.285 2.470 1.00 0.33 H new ATOM 0 HG2 PRO A2115 1.029 10.363 3.066 1.00 0.29 H new ATOM 0 HG3 PRO A2115 -0.075 11.454 3.879 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -0.951 9.757 1.947 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.676 11.339 2.155 1.00 0.30 H new ATOM 1039 N PRO A2116 3.383 11.736 0.028 1.00 0.33 N ATOM 1040 CA PRO A2116 4.655 11.030 -0.155 1.00 0.36 C ATOM 1041 C PRO A2116 5.282 10.643 1.184 1.00 0.34 C ATOM 1042 O PRO A2116 6.303 9.956 1.233 1.00 0.43 O ATOM 1043 CB PRO A2116 5.534 12.045 -0.892 1.00 0.44 C ATOM 1044 CG PRO A2116 4.937 13.372 -0.581 1.00 0.46 C ATOM 1045 CD PRO A2116 3.462 13.139 -0.418 1.00 0.43 C ATOM 0 HA PRO A2116 4.533 10.094 -0.701 1.00 0.36 H new ATOM 0 HB2 PRO A2116 6.569 11.989 -0.554 1.00 0.44 H new ATOM 0 HB3 PRO A2116 5.539 11.857 -1.966 1.00 0.44 H new ATOM 0 HG2 PRO A2116 5.368 13.789 0.329 1.00 0.46 H new ATOM 0 HG3 PRO A2116 5.133 14.084 -1.382 1.00 0.46 H new ATOM 0 HD2 PRO A2116 3.027 13.818 0.315 1.00 0.43 H new ATOM 0 HD3 PRO A2116 2.925 13.294 -1.354 1.00 0.43 H new ATOM 1053 N THR A2117 4.657 11.089 2.270 1.00 0.27 N ATOM 1054 CA THR A2117 5.118 10.772 3.611 1.00 0.24 C ATOM 1055 C THR A2117 4.424 9.531 4.167 1.00 0.17 C ATOM 1056 O THR A2117 4.669 9.150 5.309 1.00 0.15 O ATOM 1057 CB THR A2117 4.889 11.953 4.566 1.00 0.27 C ATOM 1058 OG1 THR A2117 3.580 12.500 4.357 1.00 0.32 O ATOM 1059 CG2 THR A2117 5.939 13.033 4.358 1.00 0.36 C ATOM 0 H THR A2117 3.823 11.676 2.242 1.00 0.27 H new ATOM 0 HA THR A2117 6.187 10.570 3.538 1.00 0.24 H new ATOM 0 HB THR A2117 4.972 11.588 5.590 1.00 0.27 H new ATOM 0 HG1 THR A2117 3.438 13.252 4.969 1.00 0.32 H new ATOM 0 HG21 THR A2117 5.754 13.858 5.046 1.00 0.36 H new ATOM 0 HG22 THR A2117 6.929 12.619 4.546 1.00 0.36 H new ATOM 0 HG23 THR A2117 5.887 13.398 3.332 1.00 0.36 H new ATOM 1067 N LEU A2118 3.548 8.919 3.360 1.00 0.16 N ATOM 1068 CA LEU A2118 2.908 7.643 3.708 1.00 0.16 C ATOM 1069 C LEU A2118 3.862 6.695 4.403 1.00 0.16 C ATOM 1070 O LEU A2118 3.683 6.334 5.565 1.00 0.19 O ATOM 1071 CB LEU A2118 2.448 6.925 2.450 1.00 0.23 C ATOM 1072 CG LEU A2118 1.112 7.334 1.871 1.00 0.33 C ATOM 1073 CD1 LEU A2118 0.825 6.454 0.673 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.019 7.207 2.915 1.00 0.77 C ATOM 0 H LEU A2118 3.264 9.291 2.454 1.00 0.16 H new ATOM 0 HA LEU A2118 2.077 7.894 4.367 1.00 0.16 H new ATOM 0 HB2 LEU A2118 3.208 7.069 1.682 1.00 0.23 H new ATOM 0 HB3 LEU A2118 2.411 5.857 2.665 1.00 0.23 H new ATOM 0 HG LEU A2118 1.142 8.378 1.559 1.00 0.33 H new ATOM 0 HD11 LEU A2118 -0.135 6.732 0.239 1.00 0.79 H new ATOM 0 HD12 LEU A2118 1.611 6.585 -0.071 1.00 0.79 H new ATOM 0 HD13 LEU A2118 0.793 5.411 0.987 1.00 0.79 H new ATOM 0 HD21 LEU A2118 -0.935 7.505 2.481 1.00 0.77 H new ATOM 0 HD22 LEU A2118 -0.043 6.172 3.252 1.00 0.77 H new ATOM 0 HD23 LEU A2118 0.249 7.852 3.763 1.00 0.77 H new ATOM 1086 N ILE A2119 4.865 6.294 3.644 1.00 0.15 N ATOM 1087 CA ILE A2119 5.824 5.281 4.060 1.00 0.18 C ATOM 1088 C ILE A2119 6.596 5.708 5.312 1.00 0.20 C ATOM 1089 O ILE A2119 7.197 4.884 5.995 1.00 0.28 O ATOM 1090 CB ILE A2119 6.822 4.993 2.918 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.108 4.938 1.555 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.572 3.697 3.174 1.00 0.24 C ATOM 1093 CD1 ILE A2119 4.957 3.961 1.477 1.00 0.20 C ATOM 0 H ILE A2119 5.041 6.665 2.710 1.00 0.15 H new ATOM 0 HA ILE A2119 5.261 4.379 4.298 1.00 0.18 H new ATOM 0 HB ILE A2119 7.541 5.812 2.891 1.00 0.19 H new ATOM 0 HG12 ILE A2119 5.736 5.934 1.316 1.00 0.19 H new ATOM 0 HG13 ILE A2119 6.839 4.678 0.789 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.270 3.513 2.357 1.00 0.24 H new ATOM 0 HG22 ILE A2119 8.123 3.774 4.111 1.00 0.24 H new ATOM 0 HG23 ILE A2119 6.862 2.872 3.237 1.00 0.24 H new ATOM 0 HD11 ILE A2119 4.518 3.994 0.480 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.320 2.954 1.680 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.201 4.230 2.215 1.00 0.20 H new ATOM 1105 N PHE A2120 6.581 6.999 5.600 1.00 0.17 N ATOM 1106 CA PHE A2120 7.245 7.534 6.767 1.00 0.19 C ATOM 1107 C PHE A2120 6.310 7.567 7.977 1.00 0.20 C ATOM 1108 O PHE A2120 6.738 7.359 9.110 1.00 0.26 O ATOM 1109 CB PHE A2120 7.752 8.933 6.453 1.00 0.19 C ATOM 1110 CG PHE A2120 8.927 8.927 5.526 1.00 0.24 C ATOM 1111 CD1 PHE A2120 9.983 8.064 5.750 1.00 0.31 C ATOM 1112 CD2 PHE A2120 8.978 9.774 4.431 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.066 8.039 4.905 1.00 0.37 C ATOM 1114 CE2 PHE A2120 10.065 9.756 3.578 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.112 8.886 3.817 1.00 0.38 C ATOM 0 H PHE A2120 6.108 7.700 5.030 1.00 0.17 H new ATOM 0 HA PHE A2120 8.083 6.885 7.020 1.00 0.19 H new ATOM 0 HB2 PHE A2120 6.946 9.516 6.007 1.00 0.19 H new ATOM 0 HB3 PHE A2120 8.030 9.431 7.382 1.00 0.19 H new ATOM 0 HD1 PHE A2120 9.956 7.400 6.601 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.161 10.455 4.242 1.00 0.27 H new ATOM 0 HE1 PHE A2120 11.881 7.356 5.093 1.00 0.37 H new ATOM 0 HE2 PHE A2120 10.096 10.420 2.727 1.00 0.34 H new ATOM 0 HZ PHE A2120 11.964 8.869 3.154 1.00 0.38 H new ATOM 1125 N ASP A2121 5.033 7.828 7.726 1.00 0.17 N ATOM 1126 CA ASP A2121 4.047 7.962 8.799 1.00 0.22 C ATOM 1127 C ASP A2121 3.492 6.603 9.200 1.00 0.20 C ATOM 1128 O ASP A2121 3.243 6.335 10.375 1.00 0.29 O ATOM 1129 CB ASP A2121 2.899 8.869 8.353 1.00 0.29 C ATOM 1130 CG ASP A2121 2.054 9.353 9.516 1.00 0.74 C ATOM 1131 OD1 ASP A2121 1.103 8.640 9.895 1.00 1.34 O ATOM 1132 OD2 ASP A2121 2.337 10.440 10.060 1.00 0.88 O ATOM 0 H ASP A2121 4.652 7.952 6.788 1.00 0.17 H new ATOM 0 HA ASP A2121 4.547 8.405 9.660 1.00 0.22 H new ATOM 0 HB2 ASP A2121 3.306 9.729 7.821 1.00 0.29 H new ATOM 0 HB3 ASP A2121 2.266 8.329 7.649 1.00 0.29 H new ATOM 1137 N HIS A2122 3.313 5.744 8.211 1.00 0.14 N ATOM 1138 CA HIS A2122 2.773 4.409 8.425 1.00 0.14 C ATOM 1139 C HIS A2122 3.707 3.399 7.787 1.00 0.14 C ATOM 1140 O HIS A2122 3.390 2.812 6.752 1.00 0.14 O ATOM 1141 CB HIS A2122 1.390 4.260 7.794 1.00 0.16 C ATOM 1142 CG HIS A2122 0.435 5.360 8.123 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.488 5.282 9.141 1.00 0.34 N ATOM 1144 CD2 HIS A2122 0.254 6.567 7.543 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.198 6.394 9.170 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -0.768 7.190 8.210 1.00 0.40 N ATOM 0 H HIS A2122 3.537 5.950 7.238 1.00 0.14 H new ATOM 0 HA HIS A2122 2.684 4.241 9.498 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.503 4.206 6.711 1.00 0.16 H new ATOM 0 HB3 HIS A2122 0.958 3.313 8.117 1.00 0.16 H new ATOM 0 HD2 HIS A2122 0.811 6.966 6.709 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -1.996 6.615 9.863 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -1.136 8.118 7.999 1.00 0.40 H new ATOM 1155 N PRO A2123 4.877 3.197 8.376 1.00 0.16 N ATOM 1156 CA PRO A2123 5.893 2.369 7.789 1.00 0.17 C ATOM 1157 C PRO A2123 5.792 0.931 8.255 1.00 0.15 C ATOM 1158 O PRO A2123 6.186 0.603 9.369 1.00 0.19 O ATOM 1159 CB PRO A2123 7.178 3.008 8.336 1.00 0.20 C ATOM 1160 CG PRO A2123 6.751 3.936 9.437 1.00 0.25 C ATOM 1161 CD PRO A2123 5.284 3.711 9.650 1.00 0.20 C ATOM 0 HA PRO A2123 5.830 2.325 6.702 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.861 2.247 8.712 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.706 3.551 7.552 1.00 0.20 H new ATOM 0 HG2 PRO A2123 7.310 3.734 10.351 1.00 0.25 H new ATOM 0 HG3 PRO A2123 6.947 4.973 9.166 1.00 0.25 H new ATOM 0 HD2 PRO A2123 5.092 3.003 10.456 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.762 4.633 9.904 1.00 0.20 H new ATOM 1169 N THR A2124 5.238 0.127 7.364 1.00 0.12 N ATOM 1170 CA THR A2124 5.271 -1.329 7.321 1.00 0.10 C ATOM 1171 C THR A2124 4.263 -1.697 6.250 1.00 0.10 C ATOM 1172 O THR A2124 3.331 -0.915 6.036 1.00 0.11 O ATOM 1173 CB THR A2124 4.906 -2.063 8.637 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.780 -1.458 9.272 1.00 0.13 O ATOM 1175 CG2 THR A2124 6.081 -2.112 9.586 1.00 0.11 C ATOM 0 H THR A2124 4.706 0.508 6.582 1.00 0.12 H new ATOM 0 HA THR A2124 6.297 -1.644 7.130 1.00 0.10 H new ATOM 0 HB THR A2124 4.641 -3.086 8.372 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.571 -1.942 10.098 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.790 -2.633 10.498 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.909 -2.641 9.113 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.393 -1.097 9.832 1.00 0.11 H new ATOM 1183 N PRO A2125 4.386 -2.814 5.535 1.00 0.11 N ATOM 1184 CA PRO A2125 3.334 -3.206 4.606 1.00 0.12 C ATOM 1185 C PRO A2125 1.990 -3.292 5.324 1.00 0.13 C ATOM 1186 O PRO A2125 0.956 -2.904 4.777 1.00 0.14 O ATOM 1187 CB PRO A2125 3.783 -4.569 4.090 1.00 0.12 C ATOM 1188 CG PRO A2125 5.259 -4.586 4.307 1.00 0.12 C ATOM 1189 CD PRO A2125 5.520 -3.745 5.530 1.00 0.11 C ATOM 0 HA PRO A2125 3.191 -2.490 3.797 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.293 -5.379 4.631 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.536 -4.695 3.036 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.618 -5.605 4.453 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.783 -4.184 3.440 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.551 -4.349 6.437 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.473 -3.220 5.464 1.00 0.11 H new ATOM 1197 N HIS A2126 2.027 -3.745 6.579 1.00 0.13 N ATOM 1198 CA HIS A2126 0.830 -3.821 7.407 1.00 0.15 C ATOM 1199 C HIS A2126 0.276 -2.431 7.727 1.00 0.14 C ATOM 1200 O HIS A2126 -0.924 -2.220 7.616 1.00 0.16 O ATOM 1201 CB HIS A2126 1.132 -4.602 8.690 1.00 0.18 C ATOM 1202 CG HIS A2126 0.072 -4.494 9.746 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -1.078 -5.253 9.743 1.00 0.35 N ATOM 1204 CD2 HIS A2126 -0.011 -3.698 10.838 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -1.821 -4.925 10.782 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -1.196 -3.985 11.464 1.00 0.40 N ATOM 0 H HIS A2126 2.878 -4.065 7.042 1.00 0.13 H new ATOM 0 HA HIS A2126 0.060 -4.350 6.846 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.270 -5.653 8.437 1.00 0.18 H new ATOM 0 HB3 HIS A2126 2.076 -4.247 9.103 1.00 0.18 H new ATOM 0 HD2 HIS A2126 0.721 -2.971 11.157 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -2.780 -5.354 11.032 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -1.538 -3.544 12.318 1.00 0.40 H new ATOM 1215 N ALA A2127 1.140 -1.491 8.116 1.00 0.13 N ATOM 1216 CA ALA A2127 0.692 -0.134 8.460 1.00 0.12 C ATOM 1217 C ALA A2127 -0.079 0.498 7.307 1.00 0.11 C ATOM 1218 O ALA A2127 -1.093 1.166 7.512 1.00 0.11 O ATOM 1219 CB ALA A2127 1.872 0.757 8.846 1.00 0.13 C ATOM 0 H ALA A2127 2.146 -1.639 8.201 1.00 0.13 H new ATOM 0 HA ALA A2127 0.027 -0.221 9.319 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.509 1.754 9.095 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.383 0.331 9.709 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.567 0.823 8.009 1.00 0.13 H new ATOM 1225 N LEU A2128 0.398 0.276 6.094 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.277 0.792 4.921 1.00 0.11 C ATOM 1227 C LEU A2128 -1.525 -0.012 4.605 1.00 0.13 C ATOM 1228 O LEU A2128 -2.500 0.532 4.089 1.00 0.14 O ATOM 1229 CB LEU A2128 0.663 0.795 3.734 1.00 0.11 C ATOM 1230 CG LEU A2128 1.760 1.842 3.800 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.580 1.778 2.536 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.165 3.233 4.004 1.00 0.12 C ATOM 0 H LEU A2128 1.246 -0.256 5.899 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.584 1.816 5.132 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.123 -0.190 3.649 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.081 0.954 2.826 1.00 0.11 H new ATOM 0 HG LEU A2128 2.408 1.638 4.652 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.370 2.528 2.577 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.024 0.787 2.440 1.00 0.12 H new ATOM 0 HD13 LEU A2128 1.939 1.973 1.676 1.00 0.12 H new ATOM 0 HD21 LEU A2128 1.968 3.969 4.049 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.501 3.470 3.173 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.601 3.254 4.936 1.00 0.12 H new ATOM 1244 N THR A2129 -1.502 -1.296 4.935 1.00 0.15 N ATOM 1245 CA THR A2129 -2.672 -2.143 4.768 1.00 0.17 C ATOM 1246 C THR A2129 -3.815 -1.580 5.597 1.00 0.17 C ATOM 1247 O THR A2129 -4.987 -1.742 5.264 1.00 0.20 O ATOM 1248 CB THR A2129 -2.385 -3.601 5.193 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.311 -4.136 4.411 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.614 -4.480 5.021 1.00 0.18 C ATOM 0 H THR A2129 -0.686 -1.772 5.319 1.00 0.15 H new ATOM 0 HA THR A2129 -2.941 -2.154 3.712 1.00 0.17 H new ATOM 0 HB THR A2129 -2.110 -3.592 6.248 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.531 -3.547 4.481 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.379 -5.499 5.329 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.427 -4.094 5.636 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.919 -4.478 3.975 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.452 -0.888 6.665 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.430 -0.255 7.523 1.00 0.18 C ATOM 1260 C GLN A2130 -4.894 1.064 6.909 1.00 0.17 C ATOM 1261 O GLN A2130 -6.089 1.285 6.716 1.00 0.20 O ATOM 1262 CB GLN A2130 -3.856 -0.001 8.923 1.00 0.22 C ATOM 1263 CG GLN A2130 -2.905 -1.083 9.420 1.00 0.28 C ATOM 1264 CD GLN A2130 -2.655 -1.004 10.912 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -1.721 -0.341 11.365 1.00 1.66 O ATOM 1266 NE2 GLN A2130 -3.486 -1.678 11.689 1.00 1.13 N ATOM 0 H GLN A2130 -2.484 -0.752 6.956 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.281 -0.930 7.617 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.330 0.954 8.919 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -4.681 0.093 9.629 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -3.317 -2.062 9.177 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -1.955 -0.996 8.892 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -4.248 -2.216 11.276 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -3.365 -1.660 12.702 1.00 1.13 H new ATOM 1275 N HIS A2131 -3.934 1.927 6.568 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.244 3.271 6.085 1.00 0.18 C ATOM 1277 C HIS A2131 -4.998 3.245 4.760 1.00 0.18 C ATOM 1278 O HIS A2131 -6.051 3.865 4.636 1.00 0.19 O ATOM 1279 CB HIS A2131 -2.963 4.098 5.946 1.00 0.23 C ATOM 1280 CG HIS A2131 -3.212 5.506 5.496 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -3.960 6.409 6.219 1.00 0.32 N ATOM 1282 CD2 HIS A2131 -2.824 6.156 4.377 1.00 0.27 C ATOM 1283 CE1 HIS A2131 -4.023 7.551 5.563 1.00 0.35 C ATOM 1284 NE2 HIS A2131 -3.340 7.427 4.441 1.00 0.31 N ATOM 0 H HIS A2131 -2.937 1.718 6.618 1.00 0.16 H new ATOM 0 HA HIS A2131 -4.895 3.737 6.824 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.445 4.117 6.905 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.298 3.609 5.234 1.00 0.23 H new ATOM 0 HD2 HIS A2131 -2.219 5.751 3.579 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -4.545 8.438 5.889 1.00 0.35 H new ATOM 0 HE2 HIS A2131 -3.216 8.155 3.737 1.00 0.31 H new ATOM 1293 N LEU A2132 -4.456 2.550 3.767 1.00 0.19 N ATOM 1294 CA LEU A2132 -5.114 2.449 2.471 1.00 0.21 C ATOM 1295 C LEU A2132 -6.471 1.766 2.591 1.00 0.21 C ATOM 1296 O LEU A2132 -7.370 2.020 1.789 1.00 0.26 O ATOM 1297 CB LEU A2132 -4.234 1.714 1.450 1.00 0.26 C ATOM 1298 CG LEU A2132 -3.057 2.529 0.897 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -3.519 3.915 0.499 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -1.936 2.629 1.912 1.00 0.64 C ATOM 0 H LEU A2132 -3.569 2.051 3.834 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.273 3.466 2.112 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -3.842 0.810 1.916 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -4.860 1.397 0.616 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.676 2.012 0.016 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -2.674 4.482 0.109 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -4.289 3.835 -0.269 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -3.928 4.427 1.370 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -1.116 3.212 1.492 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -2.304 3.118 2.814 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -1.580 1.629 2.161 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.631 0.927 3.608 1.00 0.20 N ATOM 1313 CA HIS A2133 -7.909 0.280 3.845 1.00 0.21 C ATOM 1314 C HIS A2133 -8.910 1.313 4.319 1.00 0.21 C ATOM 1315 O HIS A2133 -10.056 1.323 3.885 1.00 0.27 O ATOM 1316 CB HIS A2133 -7.783 -0.851 4.872 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.074 -1.569 5.122 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.597 -1.773 6.380 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -9.956 -2.121 4.258 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -10.744 -2.419 6.277 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -10.987 -2.641 4.999 1.00 0.31 N ATOM 0 H HIS A2133 -5.898 0.683 4.274 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.253 -0.164 2.911 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -7.038 -1.567 4.525 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.416 -0.440 5.812 1.00 0.21 H new ATOM 0 HD2 HIS A2133 -9.865 -2.148 3.182 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.377 -2.716 7.100 1.00 0.30 H new ATOM 0 HE2 HIS A2133 -11.806 -3.120 4.624 1.00 0.31 H new ATOM 1330 N THR A2134 -8.459 2.186 5.205 1.00 0.18 N ATOM 1331 CA THR A2134 -9.283 3.273 5.691 1.00 0.22 C ATOM 1332 C THR A2134 -9.676 4.207 4.549 1.00 0.26 C ATOM 1333 O THR A2134 -10.810 4.661 4.469 1.00 0.34 O ATOM 1334 CB THR A2134 -8.554 4.072 6.786 1.00 0.26 C ATOM 1335 OG1 THR A2134 -8.134 3.183 7.828 1.00 0.27 O ATOM 1336 CG2 THR A2134 -9.452 5.154 7.369 1.00 0.36 C ATOM 0 H THR A2134 -7.520 2.160 5.603 1.00 0.18 H new ATOM 0 HA THR A2134 -10.185 2.836 6.119 1.00 0.22 H new ATOM 0 HB THR A2134 -7.686 4.555 6.337 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.400 2.621 7.503 1.00 0.27 H new ATOM 0 HG21 THR A2134 -8.909 5.701 8.140 1.00 0.36 H new ATOM 0 HG22 THR A2134 -9.753 5.842 6.579 1.00 0.36 H new ATOM 0 HG23 THR A2134 -10.338 4.695 7.806 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.744 4.458 3.646 1.00 0.27 N ATOM 1345 CA ARG A2135 -8.979 5.390 2.553 1.00 0.32 C ATOM 1346 C ARG A2135 -10.058 4.871 1.598 1.00 0.40 C ATOM 1347 O ARG A2135 -10.965 5.608 1.217 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.679 5.645 1.791 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.562 6.182 2.662 1.00 0.28 C ATOM 1350 CD ARG A2135 -6.905 7.551 3.216 1.00 0.33 C ATOM 1351 NE ARG A2135 -6.716 8.620 2.237 1.00 0.85 N ATOM 1352 CZ ARG A2135 -6.464 9.889 2.563 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -6.449 10.263 3.837 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -6.249 10.788 1.614 1.00 1.64 N ATOM 0 H ARG A2135 -7.818 4.031 3.647 1.00 0.27 H new ATOM 0 HA ARG A2135 -9.334 6.327 2.981 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -7.351 4.715 1.326 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -7.873 6.353 0.985 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -6.375 5.491 3.484 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.642 6.243 2.081 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -7.941 7.552 3.554 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -6.285 7.751 4.090 1.00 0.33 H new ATOM 0 HE ARG A2135 -6.781 8.382 1.247 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -6.631 9.579 4.571 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -6.256 11.234 4.081 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -6.276 10.510 0.633 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -6.056 11.758 1.864 1.00 1.64 H new ATOM 1368 N LEU A2136 -9.951 3.599 1.226 1.00 0.41 N ATOM 1369 CA LEU A2136 -10.889 2.963 0.318 1.00 0.51 C ATOM 1370 C LEU A2136 -12.233 2.662 0.982 1.00 0.58 C ATOM 1371 O LEU A2136 -13.161 2.196 0.326 1.00 0.85 O ATOM 1372 CB LEU A2136 -10.265 1.670 -0.204 1.00 0.54 C ATOM 1373 CG LEU A2136 -9.003 1.869 -1.039 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -8.336 0.546 -1.348 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -9.345 2.581 -2.323 1.00 0.75 C ATOM 0 H LEU A2136 -9.207 2.981 1.549 1.00 0.41 H new ATOM 0 HA LEU A2136 -11.089 3.654 -0.501 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -10.027 1.028 0.644 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -11.004 1.142 -0.806 1.00 0.54 H new ATOM 0 HG LEU A2136 -8.306 2.474 -0.460 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -7.440 0.721 -1.944 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -8.062 0.051 -0.417 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -9.025 -0.087 -1.906 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -8.440 2.720 -2.914 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -10.061 1.986 -2.890 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -9.782 3.553 -2.095 1.00 0.75 H new ATOM 1387 N THR A2137 -12.335 2.907 2.277 1.00 0.43 N ATOM 1388 CA THR A2137 -13.573 2.650 2.986 1.00 0.47 C ATOM 1389 C THR A2137 -14.243 3.950 3.412 1.00 0.54 C ATOM 1390 O THR A2137 -15.470 4.077 3.370 1.00 0.68 O ATOM 1391 CB THR A2137 -13.326 1.743 4.200 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.256 2.264 4.996 1.00 0.39 O ATOM 1393 CG2 THR A2137 -12.972 0.339 3.743 1.00 0.42 C ATOM 0 H THR A2137 -11.581 3.281 2.854 1.00 0.43 H new ATOM 0 HA THR A2137 -14.248 2.133 2.304 1.00 0.47 H new ATOM 0 HB THR A2137 -14.238 1.710 4.796 1.00 0.43 H new ATOM 0 HG1 THR A2137 -11.407 2.144 4.522 1.00 0.39 H new ATOM 0 HG21 THR A2137 -12.799 -0.294 4.613 1.00 0.42 H new ATOM 0 HG22 THR A2137 -13.793 -0.070 3.154 1.00 0.42 H new ATOM 0 HG23 THR A2137 -12.069 0.372 3.133 1.00 0.42 H new ATOM 1401 N GLN A2138 -13.432 4.916 3.805 1.00 0.58 N ATOM 1402 CA GLN A2138 -13.916 6.227 4.168 1.00 0.69 C ATOM 1403 C GLN A2138 -14.331 6.998 2.926 1.00 0.88 C ATOM 1404 O GLN A2138 -13.538 7.177 2.000 1.00 1.05 O ATOM 1405 CB GLN A2138 -12.839 6.980 4.929 1.00 1.02 C ATOM 1406 CG GLN A2138 -12.536 6.377 6.284 1.00 0.66 C ATOM 1407 CD GLN A2138 -13.741 6.345 7.205 1.00 1.28 C ATOM 1408 OE1 GLN A2138 -14.632 7.189 7.122 1.00 1.87 O ATOM 1409 NE2 GLN A2138 -13.779 5.366 8.091 1.00 1.96 N ATOM 0 H GLN A2138 -12.420 4.809 3.880 1.00 0.58 H new ATOM 0 HA GLN A2138 -14.790 6.119 4.811 1.00 0.69 H new ATOM 0 HB2 GLN A2138 -11.926 6.997 4.333 1.00 1.02 H new ATOM 0 HB3 GLN A2138 -13.153 8.016 5.061 1.00 1.02 H new ATOM 0 HG2 GLN A2138 -12.163 5.362 6.148 1.00 0.66 H new ATOM 0 HG3 GLN A2138 -11.738 6.948 6.759 1.00 0.66 H new ATOM 0 HE21 GLN A2138 -13.021 4.684 8.130 1.00 1.96 H new ATOM 0 HE22 GLN A2138 -14.566 5.292 8.736 1.00 1.96 H new ATOM 1418 N SER A2139 -15.576 7.439 2.907 1.00 1.14 N ATOM 1419 CA SER A2139 -16.116 8.165 1.771 1.00 1.51 C ATOM 1420 C SER A2139 -15.451 9.534 1.625 1.00 1.92 C ATOM 1421 O SER A2139 -15.716 10.458 2.397 1.00 2.53 O ATOM 1422 CB SER A2139 -17.630 8.295 1.932 1.00 2.30 C ATOM 1423 OG SER A2139 -17.986 8.483 3.296 1.00 3.10 O ATOM 0 H SER A2139 -16.237 7.306 3.672 1.00 1.14 H new ATOM 0 HA SER A2139 -15.904 7.610 0.857 1.00 1.51 H new ATOM 0 HB2 SER A2139 -17.991 9.136 1.340 1.00 2.30 H new ATOM 0 HB3 SER A2139 -18.118 7.400 1.546 1.00 2.30 H new ATOM 0 HG SER A2139 -18.960 8.565 3.372 1.00 3.10 H new ATOM 1429 N HIS A2140 -14.565 9.646 0.644 1.00 2.46 N ATOM 1430 CA HIS A2140 -13.858 10.892 0.381 1.00 3.43 C ATOM 1431 C HIS A2140 -14.537 11.665 -0.735 1.00 3.95 C ATOM 1432 O HIS A2140 -15.289 12.610 -0.426 1.00 4.42 O ATOM 1433 CB HIS A2140 -12.397 10.630 0.018 1.00 4.34 C ATOM 1434 CG HIS A2140 -11.545 10.243 1.185 1.00 5.24 C ATOM 1435 ND1 HIS A2140 -11.390 8.944 1.614 1.00 6.03 N ATOM 1436 CD2 HIS A2140 -10.795 11.002 2.018 1.00 5.82 C ATOM 1437 CE1 HIS A2140 -10.585 8.920 2.659 1.00 6.90 C ATOM 1438 NE2 HIS A2140 -10.208 10.157 2.924 1.00 6.81 N ATOM 1439 OXT HIS A2140 -14.334 11.313 -1.915 1.00 4.31 O ATOM 0 H HIS A2140 -14.318 8.883 0.014 1.00 2.46 H new ATOM 0 HA HIS A2140 -13.885 11.488 1.293 1.00 3.43 H new ATOM 0 HB2 HIS A2140 -12.355 9.838 -0.729 1.00 4.34 H new ATOM 0 HB3 HIS A2140 -11.981 11.526 -0.443 1.00 4.34 H new ATOM 0 HD1 HIS A2140 -11.829 8.127 1.190 1.00 6.03 H new ATOM 0 HD2 HIS A2140 -10.680 12.075 1.977 1.00 5.82 H new ATOM 0 HE1 HIS A2140 -10.285 8.038 3.205 1.00 6.90 H new TER 1448 HIS A2140