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: A2049 MET CE :methyl -148:sc= -0.262 (180deg=-1.12) USER MOD Set 1.2: A2109 ASN : amide:sc= 0.695 K(o=0.43,f=-0.28) USER MOD Set 2.1: A2077 HIS : no HE2:sc= -8.03! C(o=-8.1!,f=-9.3!) USER MOD Set 2.2: A2079 THR OG1 : rot 180:sc= -0.0321 USER MOD Set 3.1: A2059 GLN :FLIP amide:sc= -0.539 F(o=-2.5!,f=-1) USER MOD Set 3.2: A2133 HIS : no HE2:sc= -0.47 K(o=-1,f=-3) USER MOD Single : A2047 SER OG : rot -62:sc= 0.15 USER MOD Single : A2048 HIS :FLIP no HD1:sc= -0.72 F(o=-1.7!,f=-0.72) USER MOD Single : A2052 ASN : amide:sc= -0.192 K(o=-0.19,f=-0.79) USER MOD Single : A2055 SER OG : rot 180:sc= 0 USER MOD Single : A2057 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2058 GLN : amide:sc= -1.8! C(o=-1.8!,f=-6.6!) USER MOD Single : A2060 GLN : amide:sc= -1.45! C(o=-1.5!,f=-6.3!) USER MOD Single : A2061 GLN : amide:sc= 0.022 X(o=0.022,f=0) USER MOD Single : A2062 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A2065 THR OG1 : rot 180:sc= 0 USER MOD Single : A2071 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A2073 THR OG1 : rot 76:sc= 0.103 USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2082 SER OG : rot -45:sc= 0.425 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= 1.13 (180deg=0.821) USER MOD Single : A2096 SER OG : rot 180:sc= 0 USER MOD Single : A2098 THR OG1 : rot 180:sc= 0.549 USER MOD Single : A2104 ASN : amide:sc= -1.97 X(o=-2,f=-1.8!) USER MOD Single : A2105 THR OG1 : rot 75:sc= 0.317 USER MOD Single : A2107 THR OG1 : rot -59:sc= 0.84 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2110 THR OG1 : rot -86:sc= 0.543 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.593 USER MOD Single : A2122 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=-0.066) USER MOD Single : A2124 THR OG1 : rot 180:sc= 0.222 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2129 THR OG1 : rot 53:sc= 1.08 USER MOD Single : A2130 GLN : amide:sc= -0.37 K(o=-0.37,f=-2.5!) USER MOD Single : A2131 HIS : no HD1:sc= -0.0457 X(o=-0.046,f=-0.0046) USER MOD Single : A2134 THR OG1 : rot 78:sc= 1.29 USER MOD Single : A2137 THR OG1 : rot -90:sc= 0.942 USER MOD Single : A2138 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.1) USER MOD Single : A2139 SER OG : rot 180:sc= 0 USER MOD Single : A2140 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A2046 -11.609 -2.486 -11.676 1.00 6.15 N ATOM 2 CA GLY A2046 -10.938 -1.186 -11.447 1.00 5.60 C ATOM 3 C GLY A2046 -11.864 -0.178 -10.802 1.00 5.08 C ATOM 4 O GLY A2046 -12.649 -0.534 -9.919 1.00 5.26 O ATOM 0 HA2 GLY A2046 -10.065 -1.335 -10.812 1.00 5.60 H new ATOM 0 HA3 GLY A2046 -10.577 -0.792 -12.397 1.00 5.60 H new ATOM 10 N SER A2047 -11.778 1.074 -11.253 1.00 4.85 N ATOM 11 CA SER A2047 -12.583 2.162 -10.709 1.00 4.75 C ATOM 12 C SER A2047 -12.316 2.325 -9.213 1.00 3.83 C ATOM 13 O SER A2047 -13.216 2.148 -8.388 1.00 4.09 O ATOM 14 CB SER A2047 -14.076 1.915 -10.975 1.00 5.58 C ATOM 15 OG SER A2047 -14.874 2.999 -10.521 1.00 6.22 O ATOM 0 H SER A2047 -11.149 1.359 -12.004 1.00 4.85 H new ATOM 0 HA SER A2047 -12.299 3.088 -11.210 1.00 4.75 H new ATOM 0 HB2 SER A2047 -14.236 1.767 -12.043 1.00 5.58 H new ATOM 0 HB3 SER A2047 -14.388 0.998 -10.475 1.00 5.58 H new ATOM 0 HG SER A2047 -14.769 3.099 -9.552 1.00 6.22 H new ATOM 21 N HIS A2048 -11.066 2.654 -8.878 1.00 3.01 N ATOM 22 CA HIS A2048 -10.630 2.815 -7.486 1.00 2.15 C ATOM 23 C HIS A2048 -10.648 1.479 -6.751 1.00 1.40 C ATOM 24 O HIS A2048 -11.078 0.456 -7.287 1.00 1.44 O ATOM 25 CB HIS A2048 -11.511 3.823 -6.729 1.00 2.19 C ATOM 26 CG HIS A2048 -11.381 5.236 -7.193 1.00 2.49 C ATOM 27 ND1 HIS A2048 -10.649 6.249 -6.696 1.00 3.16 N flip ATOM 28 CD2 HIS A2048 -12.053 5.748 -8.279 1.00 2.35 C flip ATOM 29 CE1 HIS A2048 -10.879 7.348 -7.482 1.00 3.33 C flip ATOM 30 NE2 HIS A2048 -11.730 7.019 -8.432 1.00 2.84 N flip ATOM 0 H HIS A2048 -10.327 2.816 -9.562 1.00 3.01 H new ATOM 0 HA HIS A2048 -9.610 3.197 -7.516 1.00 2.15 H new ATOM 0 HB2 HIS A2048 -12.553 3.518 -6.825 1.00 2.19 H new ATOM 0 HB3 HIS A2048 -11.262 3.779 -5.669 1.00 2.19 H new ATOM 0 HD2 HIS A2048 -12.737 5.197 -8.907 1.00 2.35 H new ATOM 0 HE1 HIS A2048 -10.436 8.323 -7.345 1.00 3.33 H new ATOM 0 HE2 HIS A2048 -12.080 7.640 -9.161 1.00 2.84 H new ATOM 39 N MET A2049 -10.164 1.492 -5.521 1.00 1.08 N ATOM 40 CA MET A2049 -10.228 0.325 -4.655 1.00 0.80 C ATOM 41 C MET A2049 -11.342 0.499 -3.637 1.00 1.56 C ATOM 42 O MET A2049 -11.297 -0.034 -2.529 1.00 2.18 O ATOM 43 CB MET A2049 -8.884 0.046 -3.990 1.00 0.83 C ATOM 44 CG MET A2049 -8.044 -0.942 -4.779 1.00 1.02 C ATOM 45 SD MET A2049 -6.286 -0.855 -4.393 1.00 1.09 S ATOM 46 CE MET A2049 -5.638 -2.099 -5.507 1.00 0.85 C ATOM 0 H MET A2049 -9.718 2.305 -5.096 1.00 1.08 H new ATOM 0 HA MET A2049 -10.457 -0.550 -5.264 1.00 0.80 H new ATOM 0 HB2 MET A2049 -8.334 0.981 -3.881 1.00 0.83 H new ATOM 0 HB3 MET A2049 -9.052 -0.344 -2.986 1.00 0.83 H new ATOM 0 HG2 MET A2049 -8.402 -1.952 -4.581 1.00 1.02 H new ATOM 0 HG3 MET A2049 -8.184 -0.758 -5.844 1.00 1.02 H new ATOM 0 HE1 MET A2049 -4.767 -2.573 -5.055 1.00 0.85 H new ATOM 0 HE2 MET A2049 -6.403 -2.852 -5.697 1.00 0.85 H new ATOM 0 HE3 MET A2049 -5.349 -1.630 -6.448 1.00 0.85 H new ATOM 56 N ARG A2050 -12.343 1.267 -4.058 1.00 2.19 N ATOM 57 CA ARG A2050 -13.583 1.517 -3.314 1.00 3.02 C ATOM 58 C ARG A2050 -14.357 0.215 -3.021 1.00 2.45 C ATOM 59 O ARG A2050 -15.433 0.265 -2.444 1.00 3.04 O ATOM 60 CB ARG A2050 -14.453 2.479 -4.127 1.00 4.17 C ATOM 61 CG ARG A2050 -15.555 3.143 -3.351 1.00 5.10 C ATOM 62 CD ARG A2050 -14.968 4.081 -2.339 1.00 6.03 C ATOM 63 NE ARG A2050 -15.951 5.036 -1.835 1.00 7.06 N ATOM 64 CZ ARG A2050 -15.698 5.946 -0.898 1.00 8.09 C ATOM 65 NH1 ARG A2050 -14.529 5.952 -0.263 1.00 8.33 N ATOM 66 NH2 ARG A2050 -16.624 6.840 -0.584 1.00 9.04 N ATOM 0 H ARG A2050 -12.317 1.750 -4.956 1.00 2.19 H new ATOM 0 HA ARG A2050 -13.327 1.956 -2.350 1.00 3.02 H new ATOM 0 HB2 ARG A2050 -13.814 3.251 -4.555 1.00 4.17 H new ATOM 0 HB3 ARG A2050 -14.894 1.932 -4.960 1.00 4.17 H new ATOM 0 HG2 ARG A2050 -16.212 3.689 -4.028 1.00 5.10 H new ATOM 0 HG3 ARG A2050 -16.166 2.391 -2.852 1.00 5.10 H new ATOM 0 HD2 ARG A2050 -14.562 3.506 -1.506 1.00 6.03 H new ATOM 0 HD3 ARG A2050 -14.135 4.622 -2.788 1.00 6.03 H new ATOM 0 HE ARG A2050 -16.892 5.003 -2.227 1.00 7.06 H new ATOM 0 HH11 ARG A2050 -13.820 5.256 -0.493 1.00 8.33 H new ATOM 0 HH12 ARG A2050 -14.342 6.653 0.454 1.00 8.33 H new ATOM 0 HH21 ARG A2050 -17.526 6.829 -1.060 1.00 9.04 H new ATOM 0 HH22 ARG A2050 -16.435 7.540 0.134 1.00 9.04 H new ATOM 80 N LEU A2051 -13.704 -0.911 -3.337 1.00 1.40 N ATOM 81 CA LEU A2051 -14.229 -2.291 -3.495 1.00 1.14 C ATOM 82 C LEU A2051 -15.561 -2.653 -2.812 1.00 1.01 C ATOM 83 O LEU A2051 -15.632 -3.672 -2.123 1.00 1.07 O ATOM 84 CB LEU A2051 -13.159 -3.258 -2.985 1.00 1.24 C ATOM 85 CG LEU A2051 -11.831 -3.233 -3.728 1.00 1.66 C ATOM 86 CD1 LEU A2051 -10.852 -4.200 -3.079 1.00 2.23 C ATOM 87 CD2 LEU A2051 -12.043 -3.582 -5.188 1.00 2.25 C ATOM 0 H LEU A2051 -12.698 -0.886 -3.506 1.00 1.40 H new ATOM 0 HA LEU A2051 -14.456 -2.366 -4.559 1.00 1.14 H new ATOM 0 HB2 LEU A2051 -12.969 -3.038 -1.934 1.00 1.24 H new ATOM 0 HB3 LEU A2051 -13.560 -4.270 -3.032 1.00 1.24 H new ATOM 0 HG LEU A2051 -11.411 -2.229 -3.673 1.00 1.66 H new ATOM 0 HD11 LEU A2051 -9.905 -4.175 -3.618 1.00 2.23 H new ATOM 0 HD12 LEU A2051 -10.687 -3.909 -2.041 1.00 2.23 H new ATOM 0 HD13 LEU A2051 -11.262 -5.210 -3.112 1.00 2.23 H new ATOM 0 HD21 LEU A2051 -11.086 -3.561 -5.710 1.00 2.25 H new ATOM 0 HD22 LEU A2051 -12.476 -4.579 -5.265 1.00 2.25 H new ATOM 0 HD23 LEU A2051 -12.719 -2.857 -5.641 1.00 2.25 H new ATOM 99 N ASN A2052 -16.588 -1.828 -2.964 1.00 1.58 N ATOM 100 CA ASN A2052 -17.928 -2.179 -2.507 1.00 1.99 C ATOM 101 C ASN A2052 -18.300 -3.572 -2.994 1.00 1.93 C ATOM 102 O ASN A2052 -18.183 -3.881 -4.183 1.00 2.08 O ATOM 103 CB ASN A2052 -18.971 -1.172 -3.005 1.00 2.83 C ATOM 104 CG ASN A2052 -18.891 0.169 -2.304 1.00 3.47 C ATOM 105 OD1 ASN A2052 -18.213 1.088 -2.765 1.00 3.92 O ATOM 106 ND2 ASN A2052 -19.589 0.292 -1.187 1.00 4.07 N ATOM 0 H ASN A2052 -16.520 -0.909 -3.401 1.00 1.58 H new ATOM 0 HA ASN A2052 -17.921 -2.159 -1.417 1.00 1.99 H new ATOM 0 HB2 ASN A2052 -18.839 -1.023 -4.077 1.00 2.83 H new ATOM 0 HB3 ASN A2052 -19.967 -1.590 -2.862 1.00 2.83 H new ATOM 0 HD21 ASN A2052 -19.578 1.173 -0.673 1.00 4.07 H new ATOM 0 HD22 ASN A2052 -20.138 -0.494 -0.839 1.00 4.07 H new ATOM 113 N GLY A2053 -18.736 -4.407 -2.071 1.00 1.86 N ATOM 114 CA GLY A2053 -19.049 -5.780 -2.394 1.00 1.88 C ATOM 115 C GLY A2053 -18.057 -6.740 -1.774 1.00 1.57 C ATOM 116 O GLY A2053 -18.410 -7.867 -1.427 1.00 1.67 O ATOM 0 H GLY A2053 -18.881 -4.156 -1.093 1.00 1.86 H new ATOM 0 HA2 GLY A2053 -20.053 -6.017 -2.043 1.00 1.88 H new ATOM 0 HA3 GLY A2053 -19.052 -5.908 -3.476 1.00 1.88 H new ATOM 120 N LEU A2054 -16.814 -6.297 -1.632 1.00 1.24 N ATOM 121 CA LEU A2054 -15.812 -7.065 -0.927 1.00 1.05 C ATOM 122 C LEU A2054 -15.849 -6.717 0.549 1.00 0.93 C ATOM 123 O LEU A2054 -16.007 -5.551 0.920 1.00 0.98 O ATOM 124 CB LEU A2054 -14.413 -6.782 -1.485 1.00 0.96 C ATOM 125 CG LEU A2054 -14.131 -7.295 -2.902 1.00 1.10 C ATOM 126 CD1 LEU A2054 -14.395 -8.785 -2.980 1.00 1.60 C ATOM 127 CD2 LEU A2054 -14.952 -6.554 -3.951 1.00 1.50 C ATOM 0 H LEU A2054 -16.481 -5.406 -2.000 1.00 1.24 H new ATOM 0 HA LEU A2054 -16.031 -8.124 -1.063 1.00 1.05 H new ATOM 0 HB2 LEU A2054 -14.251 -5.704 -1.473 1.00 0.96 H new ATOM 0 HB3 LEU A2054 -13.680 -7.222 -0.809 1.00 0.96 H new ATOM 0 HG LEU A2054 -13.080 -7.104 -3.118 1.00 1.10 H new ATOM 0 HD11 LEU A2054 -14.191 -9.138 -3.991 1.00 1.60 H new ATOM 0 HD12 LEU A2054 -13.747 -9.307 -2.276 1.00 1.60 H new ATOM 0 HD13 LEU A2054 -15.437 -8.983 -2.729 1.00 1.60 H new ATOM 0 HD21 LEU A2054 -14.721 -6.949 -4.940 1.00 1.50 H new ATOM 0 HD22 LEU A2054 -16.014 -6.690 -3.745 1.00 1.50 H new ATOM 0 HD23 LEU A2054 -14.709 -5.492 -3.919 1.00 1.50 H new ATOM 139 N SER A2055 -15.722 -7.732 1.385 1.00 0.85 N ATOM 140 CA SER A2055 -15.667 -7.530 2.816 1.00 0.80 C ATOM 141 C SER A2055 -14.360 -6.837 3.184 1.00 0.67 C ATOM 142 O SER A2055 -13.360 -7.017 2.490 1.00 0.61 O ATOM 143 CB SER A2055 -15.777 -8.874 3.540 1.00 0.83 C ATOM 144 OG SER A2055 -16.941 -9.577 3.137 1.00 1.18 O ATOM 0 H SER A2055 -15.655 -8.707 1.093 1.00 0.85 H new ATOM 0 HA SER A2055 -16.502 -6.901 3.123 1.00 0.80 H new ATOM 0 HB2 SER A2055 -14.893 -9.477 3.330 1.00 0.83 H new ATOM 0 HB3 SER A2055 -15.802 -8.709 4.617 1.00 0.83 H new ATOM 0 HG SER A2055 -16.987 -10.433 3.612 1.00 1.18 H new ATOM 150 N PRO A2056 -14.358 -6.013 4.240 1.00 0.67 N ATOM 151 CA PRO A2056 -13.174 -5.270 4.675 1.00 0.61 C ATOM 152 C PRO A2056 -11.886 -6.088 4.622 1.00 0.54 C ATOM 153 O PRO A2056 -10.883 -5.626 4.086 1.00 0.50 O ATOM 154 CB PRO A2056 -13.526 -4.899 6.103 1.00 0.71 C ATOM 155 CG PRO A2056 -14.992 -4.688 6.054 1.00 0.86 C ATOM 156 CD PRO A2056 -15.525 -5.710 5.089 1.00 0.81 C ATOM 0 HA PRO A2056 -12.964 -4.420 4.026 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -13.258 -5.692 6.801 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -13.001 -3.999 6.425 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -15.438 -4.813 7.041 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -15.230 -3.677 5.723 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -15.890 -6.599 5.604 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -16.357 -5.317 4.505 1.00 0.81 H new ATOM 164 N GLN A2057 -11.929 -7.310 5.143 1.00 0.58 N ATOM 165 CA GLN A2057 -10.756 -8.175 5.179 1.00 0.60 C ATOM 166 C GLN A2057 -10.261 -8.498 3.767 1.00 0.57 C ATOM 167 O GLN A2057 -9.056 -8.572 3.528 1.00 0.57 O ATOM 168 CB GLN A2057 -11.077 -9.463 5.932 1.00 0.71 C ATOM 169 CG GLN A2057 -9.869 -10.349 6.161 1.00 0.83 C ATOM 170 CD GLN A2057 -10.220 -11.642 6.865 1.00 1.19 C ATOM 171 OE1 GLN A2057 -10.528 -12.646 6.225 1.00 1.63 O ATOM 172 NE2 GLN A2057 -10.183 -11.627 8.187 1.00 1.95 N ATOM 0 H GLN A2057 -12.768 -7.725 5.548 1.00 0.58 H new ATOM 0 HA GLN A2057 -9.960 -7.644 5.701 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -11.519 -9.210 6.895 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -11.827 -10.023 5.374 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -9.403 -10.577 5.202 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -9.132 -9.806 6.753 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -9.922 -10.773 8.680 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -10.415 -12.469 8.713 1.00 1.95 H new ATOM 181 N GLN A2058 -11.193 -8.692 2.836 1.00 0.59 N ATOM 182 CA GLN A2058 -10.839 -8.887 1.430 1.00 0.64 C ATOM 183 C GLN A2058 -10.136 -7.650 0.910 1.00 0.57 C ATOM 184 O GLN A2058 -9.097 -7.731 0.253 1.00 0.59 O ATOM 185 CB GLN A2058 -12.083 -9.155 0.576 1.00 0.75 C ATOM 186 CG GLN A2058 -12.688 -10.534 0.757 1.00 0.83 C ATOM 187 CD GLN A2058 -11.777 -11.652 0.272 1.00 0.99 C ATOM 188 OE1 GLN A2058 -10.550 -11.548 0.323 1.00 1.44 O ATOM 189 NE2 GLN A2058 -12.373 -12.723 -0.220 1.00 1.60 N ATOM 0 H GLN A2058 -12.195 -8.718 3.028 1.00 0.59 H new ATOM 0 HA GLN A2058 -10.180 -9.753 1.362 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -12.839 -8.407 0.814 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -11.822 -9.022 -0.474 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -12.915 -10.690 1.812 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -13.634 -10.583 0.217 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -13.391 -12.773 -0.246 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -11.815 -13.500 -0.574 1.00 1.60 H new ATOM 198 N GLN A2059 -10.715 -6.504 1.232 1.00 0.54 N ATOM 199 CA GLN A2059 -10.160 -5.217 0.854 1.00 0.52 C ATOM 200 C GLN A2059 -8.768 -5.033 1.447 1.00 0.47 C ATOM 201 O GLN A2059 -7.878 -4.486 0.799 1.00 0.49 O ATOM 202 CB GLN A2059 -11.087 -4.097 1.319 1.00 0.57 C ATOM 203 CG GLN A2059 -12.437 -4.098 0.625 1.00 0.72 C ATOM 204 CD GLN A2059 -13.288 -2.917 1.034 1.00 1.02 C ATOM 205 OE1 GLN A2059 -14.153 -2.478 0.136 1.00 1.50 O flip ATOM 206 NE2 GLN A2059 -13.172 -2.411 2.153 1.00 1.19 N flip ATOM 0 H GLN A2059 -11.584 -6.442 1.763 1.00 0.54 H new ATOM 0 HA GLN A2059 -10.073 -5.180 -0.232 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -11.241 -4.187 2.394 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -10.599 -3.138 1.146 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.289 -4.081 -0.455 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -12.964 -5.023 0.860 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -12.490 -2.784 2.813 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -13.758 -1.619 2.418 1.00 1.19 H new ATOM 215 N GLN A2060 -8.581 -5.506 2.676 1.00 0.44 N ATOM 216 CA GLN A2060 -7.287 -5.412 3.336 1.00 0.42 C ATOM 217 C GLN A2060 -6.253 -6.211 2.575 1.00 0.39 C ATOM 218 O GLN A2060 -5.254 -5.667 2.135 1.00 0.37 O ATOM 219 CB GLN A2060 -7.352 -5.914 4.779 1.00 0.45 C ATOM 220 CG GLN A2060 -8.403 -5.219 5.616 1.00 0.50 C ATOM 221 CD GLN A2060 -8.417 -5.688 7.057 1.00 0.60 C ATOM 222 OE1 GLN A2060 -9.100 -6.649 7.409 1.00 0.78 O ATOM 223 NE2 GLN A2060 -7.668 -5.003 7.906 1.00 0.95 N ATOM 0 H GLN A2060 -9.308 -5.957 3.232 1.00 0.44 H new ATOM 0 HA GLN A2060 -7.004 -4.359 3.351 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.554 -6.985 4.773 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -6.377 -5.776 5.247 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -8.227 -4.144 5.591 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -9.384 -5.391 5.174 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -7.116 -4.212 7.575 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -7.643 -5.266 8.891 1.00 0.95 H new ATOM 232 N GLN A2061 -6.516 -7.499 2.412 1.00 0.41 N ATOM 233 CA GLN A2061 -5.617 -8.389 1.685 1.00 0.42 C ATOM 234 C GLN A2061 -5.310 -7.852 0.293 1.00 0.43 C ATOM 235 O GLN A2061 -4.193 -7.987 -0.203 1.00 0.41 O ATOM 236 CB GLN A2061 -6.238 -9.762 1.585 1.00 0.51 C ATOM 237 CG GLN A2061 -6.425 -10.419 2.935 1.00 0.56 C ATOM 238 CD GLN A2061 -7.237 -11.693 2.857 1.00 0.67 C ATOM 239 OE1 GLN A2061 -6.692 -12.784 2.694 1.00 1.03 O ATOM 240 NE2 GLN A2061 -8.548 -11.564 2.970 1.00 1.32 N ATOM 0 H GLN A2061 -7.352 -7.956 2.776 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.677 -8.450 2.233 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -7.204 -9.684 1.087 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -5.608 -10.396 0.961 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -5.448 -10.641 3.365 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.918 -9.719 3.610 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -8.960 -10.641 3.104 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -9.147 -12.388 2.923 1.00 1.32 H new ATOM 249 N THR A2062 -6.316 -7.250 -0.324 1.00 0.49 N ATOM 250 CA THR A2062 -6.144 -6.549 -1.591 1.00 0.55 C ATOM 251 C THR A2062 -4.961 -5.587 -1.525 1.00 0.49 C ATOM 252 O THR A2062 -4.051 -5.636 -2.354 1.00 0.48 O ATOM 253 CB THR A2062 -7.405 -5.746 -1.946 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.528 -6.628 -2.100 1.00 0.73 O ATOM 255 CG2 THR A2062 -7.188 -4.949 -3.225 1.00 0.77 C ATOM 0 H THR A2062 -7.270 -7.233 0.036 1.00 0.49 H new ATOM 0 HA THR A2062 -5.960 -7.304 -2.356 1.00 0.55 H new ATOM 0 HB THR A2062 -7.611 -5.050 -1.133 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.822 -6.940 -1.219 1.00 0.73 H new ATOM 0 HG21 THR A2062 -8.091 -4.387 -3.461 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.356 -4.258 -3.087 1.00 0.77 H new ATOM 0 HG23 THR A2062 -6.961 -5.631 -4.044 1.00 0.77 H new ATOM 263 N LEU A2063 -4.971 -4.742 -0.508 1.00 0.50 N ATOM 264 CA LEU A2063 -3.965 -3.718 -0.330 1.00 0.53 C ATOM 265 C LEU A2063 -2.722 -4.329 0.274 1.00 0.44 C ATOM 266 O LEU A2063 -1.615 -3.839 0.097 1.00 0.47 O ATOM 267 CB LEU A2063 -4.532 -2.668 0.602 1.00 0.69 C ATOM 268 CG LEU A2063 -5.898 -2.143 0.179 1.00 0.64 C ATOM 269 CD1 LEU A2063 -6.623 -1.551 1.366 1.00 1.32 C ATOM 270 CD2 LEU A2063 -5.753 -1.124 -0.936 1.00 1.22 C ATOM 0 H LEU A2063 -5.684 -4.750 0.221 1.00 0.50 H new ATOM 0 HA LEU A2063 -3.700 -3.269 -1.287 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -4.610 -3.089 1.604 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -3.834 -1.833 0.660 1.00 0.69 H new ATOM 0 HG LEU A2063 -6.491 -2.975 -0.201 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -7.598 -1.180 1.049 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -6.757 -2.317 2.129 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -6.038 -0.728 1.777 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -6.738 -0.759 -1.226 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -5.145 -0.289 -0.589 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -5.272 -1.591 -1.795 1.00 1.22 H new ATOM 282 N ALA A2064 -2.935 -5.428 0.962 1.00 0.39 N ATOM 283 CA ALA A2064 -1.887 -6.138 1.654 1.00 0.38 C ATOM 284 C ALA A2064 -0.936 -6.746 0.640 1.00 0.37 C ATOM 285 O ALA A2064 0.283 -6.716 0.799 1.00 0.51 O ATOM 286 CB ALA A2064 -2.516 -7.207 2.533 1.00 0.38 C ATOM 0 H ALA A2064 -3.855 -5.859 1.057 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.317 -5.458 2.287 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.733 -7.751 3.061 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -3.183 -6.737 3.256 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -3.084 -7.900 1.913 1.00 0.38 H new ATOM 292 N THR A2065 -1.527 -7.292 -0.406 1.00 0.28 N ATOM 293 CA THR A2065 -0.793 -7.813 -1.538 1.00 0.28 C ATOM 294 C THR A2065 -0.349 -6.679 -2.462 1.00 0.27 C ATOM 295 O THR A2065 0.738 -6.724 -3.036 1.00 0.25 O ATOM 296 CB THR A2065 -1.675 -8.809 -2.302 1.00 0.36 C ATOM 297 OG1 THR A2065 -1.934 -9.952 -1.477 1.00 0.40 O ATOM 298 CG2 THR A2065 -1.033 -9.253 -3.610 1.00 0.41 C ATOM 0 H THR A2065 -2.539 -7.386 -0.492 1.00 0.28 H new ATOM 0 HA THR A2065 0.100 -8.324 -1.178 1.00 0.28 H new ATOM 0 HB THR A2065 -2.610 -8.305 -2.548 1.00 0.36 H new ATOM 0 HG1 THR A2065 -2.499 -10.587 -1.965 1.00 0.40 H new ATOM 0 HG21 THR A2065 -1.692 -9.958 -4.118 1.00 0.41 H new ATOM 0 HG22 THR A2065 -0.869 -8.385 -4.248 1.00 0.41 H new ATOM 0 HG23 THR A2065 -0.078 -9.735 -3.401 1.00 0.41 H new ATOM 306 N LEU A2066 -1.189 -5.652 -2.575 1.00 0.29 N ATOM 307 CA LEU A2066 -0.893 -4.486 -3.394 1.00 0.28 C ATOM 308 C LEU A2066 0.384 -3.818 -2.936 1.00 0.23 C ATOM 309 O LEU A2066 1.358 -3.715 -3.683 1.00 0.22 O ATOM 310 CB LEU A2066 -2.031 -3.486 -3.281 1.00 0.32 C ATOM 311 CG LEU A2066 -1.687 -2.106 -3.793 1.00 0.57 C ATOM 312 CD1 LEU A2066 -1.623 -2.104 -5.303 1.00 0.92 C ATOM 313 CD2 LEU A2066 -2.660 -1.067 -3.266 1.00 1.35 C ATOM 0 H LEU A2066 -2.091 -5.608 -2.101 1.00 0.29 H new ATOM 0 HA LEU A2066 -0.774 -4.814 -4.427 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -2.890 -3.864 -3.835 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -2.333 -3.410 -2.236 1.00 0.32 H new ATOM 0 HG LEU A2066 -0.700 -1.835 -3.419 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -1.374 -1.103 -5.655 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -0.859 -2.806 -5.636 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -2.590 -2.401 -5.709 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -2.387 -0.085 -3.651 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -3.670 -1.316 -3.591 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -2.623 -1.053 -2.177 1.00 1.35 H new ATOM 325 N VAL A2067 0.344 -3.355 -1.703 1.00 0.21 N ATOM 326 CA VAL A2067 1.467 -2.696 -1.074 1.00 0.18 C ATOM 327 C VAL A2067 2.732 -3.540 -1.192 1.00 0.16 C ATOM 328 O VAL A2067 3.815 -3.038 -1.501 1.00 0.17 O ATOM 329 CB VAL A2067 1.165 -2.428 0.415 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.412 -1.991 1.157 1.00 0.20 C ATOM 331 CG2 VAL A2067 0.071 -1.381 0.562 1.00 0.22 C ATOM 0 H VAL A2067 -0.479 -3.427 -1.104 1.00 0.21 H new ATOM 0 HA VAL A2067 1.629 -1.748 -1.588 1.00 0.18 H new ATOM 0 HB VAL A2067 0.817 -3.362 0.856 1.00 0.19 H new ATOM 0 HG11 VAL A2067 2.168 -1.810 2.204 1.00 0.20 H new ATOM 0 HG12 VAL A2067 3.168 -2.774 1.091 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.799 -1.075 0.711 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.126 -1.207 1.620 1.00 0.22 H new ATOM 0 HG22 VAL A2067 0.393 -0.450 0.095 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -0.839 -1.735 0.077 1.00 0.22 H new ATOM 341 N ALA A2068 2.570 -4.828 -0.957 1.00 0.15 N ATOM 342 CA ALA A2068 3.665 -5.772 -1.017 1.00 0.15 C ATOM 343 C ALA A2068 4.238 -5.872 -2.430 1.00 0.14 C ATOM 344 O ALA A2068 5.446 -5.775 -2.624 1.00 0.13 O ATOM 345 CB ALA A2068 3.174 -7.117 -0.519 1.00 0.17 C ATOM 0 H ALA A2068 1.672 -5.249 -0.719 1.00 0.15 H new ATOM 0 HA ALA A2068 4.478 -5.426 -0.378 1.00 0.15 H new ATOM 0 HB1 ALA A2068 3.989 -7.839 -0.559 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.825 -7.019 0.509 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.354 -7.461 -1.149 1.00 0.17 H new ATOM 351 N ALA A2069 3.361 -6.055 -3.408 1.00 0.17 N ATOM 352 CA ALA A2069 3.753 -6.106 -4.810 1.00 0.18 C ATOM 353 C ALA A2069 4.414 -4.801 -5.238 1.00 0.19 C ATOM 354 O ALA A2069 5.319 -4.790 -6.079 1.00 0.21 O ATOM 355 CB ALA A2069 2.539 -6.386 -5.683 1.00 0.23 C ATOM 0 H ALA A2069 2.360 -6.172 -3.252 1.00 0.17 H new ATOM 0 HA ALA A2069 4.476 -6.913 -4.933 1.00 0.18 H new ATOM 0 HB1 ALA A2069 2.844 -6.422 -6.729 1.00 0.23 H new ATOM 0 HB2 ALA A2069 2.100 -7.343 -5.400 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.802 -5.594 -5.547 1.00 0.23 H new ATOM 361 N ALA A2070 3.961 -3.705 -4.638 1.00 0.19 N ATOM 362 CA ALA A2070 4.486 -2.387 -4.938 1.00 0.21 C ATOM 363 C ALA A2070 5.953 -2.303 -4.563 1.00 0.20 C ATOM 364 O ALA A2070 6.779 -1.833 -5.347 1.00 0.23 O ATOM 365 CB ALA A2070 3.697 -1.321 -4.201 1.00 0.24 C ATOM 0 H ALA A2070 3.223 -3.710 -3.934 1.00 0.19 H new ATOM 0 HA ALA A2070 4.389 -2.215 -6.010 1.00 0.21 H new ATOM 0 HB1 ALA A2070 4.104 -0.338 -4.438 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.652 -1.364 -4.508 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.767 -1.494 -3.127 1.00 0.24 H new ATOM 371 N THR A2071 6.289 -2.787 -3.375 1.00 0.18 N ATOM 372 CA THR A2071 7.651 -2.672 -2.903 1.00 0.21 C ATOM 373 C THR A2071 8.470 -3.849 -3.381 1.00 0.21 C ATOM 374 O THR A2071 9.687 -3.780 -3.472 1.00 0.27 O ATOM 375 CB THR A2071 7.732 -2.491 -1.380 1.00 0.22 C ATOM 376 OG1 THR A2071 9.074 -2.222 -0.976 1.00 0.28 O ATOM 377 CG2 THR A2071 7.219 -3.702 -0.639 1.00 0.23 C ATOM 0 H THR A2071 5.647 -3.254 -2.735 1.00 0.18 H new ATOM 0 HA THR A2071 8.077 -1.764 -3.331 1.00 0.21 H new ATOM 0 HB THR A2071 7.096 -1.642 -1.127 1.00 0.22 H new ATOM 0 HG1 THR A2071 9.106 -2.108 -0.003 1.00 0.28 H new ATOM 0 HG21 THR A2071 7.295 -3.531 0.435 1.00 0.23 H new ATOM 0 HG22 THR A2071 6.177 -3.877 -0.906 1.00 0.23 H new ATOM 0 HG23 THR A2071 7.815 -4.574 -0.910 1.00 0.23 H new ATOM 385 N ALA A2072 7.791 -4.920 -3.737 1.00 0.18 N ATOM 386 CA ALA A2072 8.436 -6.022 -4.414 1.00 0.22 C ATOM 387 C ALA A2072 9.137 -5.507 -5.661 1.00 0.26 C ATOM 388 O ALA A2072 10.278 -5.874 -5.948 1.00 0.31 O ATOM 389 CB ALA A2072 7.421 -7.080 -4.780 1.00 0.22 C ATOM 0 H ALA A2072 6.793 -5.049 -3.568 1.00 0.18 H new ATOM 0 HA ALA A2072 9.173 -6.472 -3.748 1.00 0.22 H new ATOM 0 HB1 ALA A2072 7.921 -7.904 -5.289 1.00 0.22 H new ATOM 0 HB2 ALA A2072 6.940 -7.451 -3.875 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.668 -6.649 -5.440 1.00 0.22 H new ATOM 395 N THR A2073 8.440 -4.636 -6.379 1.00 0.27 N ATOM 396 CA THR A2073 8.993 -3.967 -7.539 1.00 0.34 C ATOM 397 C THR A2073 10.035 -2.936 -7.113 1.00 0.37 C ATOM 398 O THR A2073 11.152 -2.910 -7.625 1.00 0.43 O ATOM 399 CB THR A2073 7.876 -3.259 -8.333 1.00 0.38 C ATOM 400 OG1 THR A2073 6.906 -4.213 -8.785 1.00 0.40 O ATOM 401 CG2 THR A2073 8.445 -2.501 -9.518 1.00 0.46 C ATOM 0 H THR A2073 7.476 -4.377 -6.170 1.00 0.27 H new ATOM 0 HA THR A2073 9.466 -4.719 -8.171 1.00 0.34 H new ATOM 0 HB THR A2073 7.392 -2.544 -7.668 1.00 0.38 H new ATOM 0 HG1 THR A2073 6.338 -4.483 -8.033 1.00 0.40 H new ATOM 0 HG21 THR A2073 7.635 -2.012 -10.060 1.00 0.46 H new ATOM 0 HG22 THR A2073 9.151 -1.750 -9.164 1.00 0.46 H new ATOM 0 HG23 THR A2073 8.958 -3.196 -10.183 1.00 0.46 H new ATOM 409 N VAL A2074 9.652 -2.110 -6.150 1.00 0.36 N ATOM 410 CA VAL A2074 10.457 -1.003 -5.689 1.00 0.41 C ATOM 411 C VAL A2074 11.824 -1.439 -5.128 1.00 0.47 C ATOM 412 O VAL A2074 12.825 -0.750 -5.334 1.00 0.56 O ATOM 413 CB VAL A2074 9.633 -0.230 -4.646 1.00 0.38 C ATOM 414 CG1 VAL A2074 10.353 -0.066 -3.326 1.00 0.38 C ATOM 415 CG2 VAL A2074 9.177 1.101 -5.191 1.00 0.37 C ATOM 0 H VAL A2074 8.759 -2.197 -5.664 1.00 0.36 H new ATOM 0 HA VAL A2074 10.698 -0.362 -6.537 1.00 0.41 H new ATOM 0 HB VAL A2074 8.751 -0.836 -4.439 1.00 0.38 H new ATOM 0 HG11 VAL A2074 9.720 0.487 -2.632 1.00 0.38 H new ATOM 0 HG12 VAL A2074 10.576 -1.048 -2.909 1.00 0.38 H new ATOM 0 HG13 VAL A2074 11.282 0.481 -3.484 1.00 0.38 H new ATOM 0 HG21 VAL A2074 8.597 1.625 -4.432 1.00 0.37 H new ATOM 0 HG22 VAL A2074 10.046 1.700 -5.462 1.00 0.37 H new ATOM 0 HG23 VAL A2074 8.558 0.940 -6.074 1.00 0.37 H new ATOM 425 N LEU A2075 11.881 -2.566 -4.421 1.00 0.43 N ATOM 426 CA LEU A2075 13.136 -3.029 -3.852 1.00 0.52 C ATOM 427 C LEU A2075 13.944 -3.824 -4.875 1.00 0.60 C ATOM 428 O LEU A2075 15.159 -3.662 -4.983 1.00 0.74 O ATOM 429 CB LEU A2075 12.870 -3.883 -2.617 1.00 0.49 C ATOM 430 CG LEU A2075 11.784 -3.343 -1.683 1.00 0.44 C ATOM 431 CD1 LEU A2075 11.444 -4.359 -0.612 1.00 0.46 C ATOM 432 CD2 LEU A2075 12.196 -2.027 -1.052 1.00 0.52 C ATOM 0 H LEU A2075 11.079 -3.167 -4.232 1.00 0.43 H new ATOM 0 HA LEU A2075 13.719 -2.155 -3.563 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.586 -4.885 -2.940 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.798 -3.981 -2.054 1.00 0.49 H new ATOM 0 HG LEU A2075 10.895 -3.160 -2.286 1.00 0.44 H new ATOM 0 HD11 LEU A2075 10.670 -3.955 0.041 1.00 0.46 H new ATOM 0 HD12 LEU A2075 11.082 -5.274 -1.080 1.00 0.46 H new ATOM 0 HD13 LEU A2075 12.335 -4.580 -0.024 1.00 0.46 H new ATOM 0 HD21 LEU A2075 11.401 -1.674 -0.395 1.00 0.52 H new ATOM 0 HD22 LEU A2075 13.108 -2.171 -0.473 1.00 0.52 H new ATOM 0 HD23 LEU A2075 12.376 -1.289 -1.834 1.00 0.52 H new ATOM 444 N GLY A2076 13.263 -4.674 -5.639 1.00 0.57 N ATOM 445 CA GLY A2076 13.943 -5.447 -6.663 1.00 0.67 C ATOM 446 C GLY A2076 13.781 -6.948 -6.494 1.00 0.65 C ATOM 447 O GLY A2076 14.761 -7.663 -6.303 1.00 0.93 O ATOM 0 H GLY A2076 12.259 -4.840 -5.568 1.00 0.57 H new ATOM 0 HA2 GLY A2076 13.561 -5.156 -7.641 1.00 0.67 H new ATOM 0 HA3 GLY A2076 15.005 -5.200 -6.649 1.00 0.67 H new ATOM 451 N HIS A2077 12.540 -7.428 -6.548 1.00 0.51 N ATOM 452 CA HIS A2077 12.266 -8.871 -6.493 1.00 0.66 C ATOM 453 C HIS A2077 10.971 -9.227 -7.205 1.00 0.68 C ATOM 454 O HIS A2077 10.806 -10.353 -7.664 1.00 0.97 O ATOM 455 CB HIS A2077 12.204 -9.430 -5.058 1.00 0.81 C ATOM 456 CG HIS A2077 11.922 -8.448 -3.968 1.00 0.50 C ATOM 457 ND1 HIS A2077 10.747 -8.440 -3.256 1.00 0.54 N ATOM 458 CD2 HIS A2077 12.696 -7.487 -3.419 1.00 0.74 C ATOM 459 CE1 HIS A2077 10.819 -7.516 -2.320 1.00 0.61 C ATOM 460 NE2 HIS A2077 11.991 -6.926 -2.394 1.00 0.80 N ATOM 0 H HIS A2077 11.707 -6.844 -6.630 1.00 0.51 H new ATOM 0 HA HIS A2077 13.112 -9.332 -7.003 1.00 0.66 H new ATOM 0 HB2 HIS A2077 11.436 -10.203 -5.027 1.00 0.81 H new ATOM 0 HB3 HIS A2077 13.155 -9.916 -4.841 1.00 0.81 H new ATOM 0 HD1 HIS A2077 9.948 -9.051 -3.425 1.00 0.54 H new ATOM 0 HD2 HIS A2077 13.692 -7.212 -3.734 1.00 0.74 H new ATOM 0 HE1 HIS A2077 10.042 -7.281 -1.608 1.00 0.61 H new ATOM 469 N HIS A2078 10.051 -8.269 -7.270 1.00 0.62 N ATOM 470 CA HIS A2078 8.737 -8.461 -7.893 1.00 0.69 C ATOM 471 C HIS A2078 7.838 -9.411 -7.101 1.00 0.80 C ATOM 472 O HIS A2078 6.663 -9.563 -7.431 1.00 1.56 O ATOM 473 CB HIS A2078 8.856 -8.946 -9.343 1.00 0.81 C ATOM 474 CG HIS A2078 9.093 -7.845 -10.327 1.00 0.88 C ATOM 475 ND1 HIS A2078 8.109 -6.963 -10.716 1.00 0.93 N ATOM 476 CD2 HIS A2078 10.207 -7.483 -11.001 1.00 0.96 C ATOM 477 CE1 HIS A2078 8.609 -6.106 -11.585 1.00 1.03 C ATOM 478 NE2 HIS A2078 9.883 -6.397 -11.776 1.00 1.05 N ATOM 0 H HIS A2078 10.193 -7.332 -6.892 1.00 0.62 H new ATOM 0 HA HIS A2078 8.267 -7.478 -7.890 1.00 0.69 H new ATOM 0 HB2 HIS A2078 9.673 -9.664 -9.411 1.00 0.81 H new ATOM 0 HB3 HIS A2078 7.943 -9.475 -9.616 1.00 0.81 H new ATOM 0 HD2 HIS A2078 11.174 -7.960 -10.941 1.00 0.96 H new ATOM 0 HE1 HIS A2078 8.068 -5.302 -12.060 1.00 1.03 H new ATOM 0 HE2 HIS A2078 10.520 -5.898 -12.396 1.00 1.05 H new ATOM 487 N THR A2079 8.363 -10.041 -6.055 1.00 0.64 N ATOM 488 CA THR A2079 7.543 -10.916 -5.237 1.00 0.67 C ATOM 489 C THR A2079 6.907 -10.196 -4.056 1.00 0.44 C ATOM 490 O THR A2079 7.604 -9.653 -3.197 1.00 0.54 O ATOM 491 CB THR A2079 8.302 -12.087 -4.657 1.00 1.02 C ATOM 492 OG1 THR A2079 9.571 -11.654 -4.144 1.00 1.82 O ATOM 493 CG2 THR A2079 8.483 -13.194 -5.665 1.00 0.59 C ATOM 0 H THR A2079 9.336 -9.962 -5.760 1.00 0.64 H new ATOM 0 HA THR A2079 6.783 -11.268 -5.935 1.00 0.67 H new ATOM 0 HB THR A2079 7.709 -12.491 -3.836 1.00 1.02 H new ATOM 0 HG1 THR A2079 10.052 -12.422 -3.770 1.00 1.82 H new ATOM 0 HG21 THR A2079 9.033 -14.016 -5.208 1.00 0.59 H new ATOM 0 HG22 THR A2079 7.507 -13.550 -5.994 1.00 0.59 H new ATOM 0 HG23 THR A2079 9.040 -12.817 -6.523 1.00 0.59 H new ATOM 501 N PRO A2080 5.578 -10.207 -3.992 1.00 0.29 N ATOM 502 CA PRO A2080 4.802 -9.653 -2.886 1.00 0.32 C ATOM 503 C PRO A2080 4.664 -10.667 -1.758 1.00 0.45 C ATOM 504 O PRO A2080 4.324 -10.329 -0.624 1.00 0.51 O ATOM 505 CB PRO A2080 3.435 -9.371 -3.534 1.00 0.39 C ATOM 506 CG PRO A2080 3.624 -9.683 -4.985 1.00 0.39 C ATOM 507 CD PRO A2080 4.694 -10.727 -5.012 1.00 0.32 C ATOM 0 HA PRO A2080 5.260 -8.771 -2.438 1.00 0.32 H new ATOM 0 HB2 PRO A2080 2.654 -9.992 -3.095 1.00 0.39 H new ATOM 0 HB3 PRO A2080 3.136 -8.333 -3.389 1.00 0.39 H new ATOM 0 HG2 PRO A2080 2.701 -10.050 -5.435 1.00 0.39 H new ATOM 0 HG3 PRO A2080 3.921 -8.797 -5.545 1.00 0.39 H new ATOM 0 HD2 PRO A2080 4.314 -11.719 -4.768 1.00 0.32 H new ATOM 0 HD3 PRO A2080 5.179 -10.802 -5.985 1.00 0.32 H new ATOM 515 N GLU A2081 4.940 -11.918 -2.094 1.00 0.53 N ATOM 516 CA GLU A2081 4.917 -13.007 -1.134 1.00 0.64 C ATOM 517 C GLU A2081 6.178 -12.983 -0.279 1.00 0.56 C ATOM 518 O GLU A2081 6.224 -13.577 0.798 1.00 0.70 O ATOM 519 CB GLU A2081 4.792 -14.343 -1.871 1.00 0.84 C ATOM 520 CG GLU A2081 5.792 -14.503 -3.009 1.00 0.93 C ATOM 521 CD GLU A2081 5.633 -15.811 -3.750 1.00 1.28 C ATOM 522 OE1 GLU A2081 4.750 -15.899 -4.627 1.00 1.54 O ATOM 523 OE2 GLU A2081 6.398 -16.753 -3.465 1.00 1.45 O ATOM 0 H GLU A2081 5.186 -12.205 -3.041 1.00 0.53 H new ATOM 0 HA GLU A2081 4.056 -12.886 -0.477 1.00 0.64 H new ATOM 0 HB2 GLU A2081 4.930 -15.156 -1.159 1.00 0.84 H new ATOM 0 HB3 GLU A2081 3.782 -14.436 -2.269 1.00 0.84 H new ATOM 0 HG2 GLU A2081 5.673 -13.677 -3.710 1.00 0.93 H new ATOM 0 HG3 GLU A2081 6.804 -14.438 -2.609 1.00 0.93 H new ATOM 530 N SER A2082 7.194 -12.278 -0.760 1.00 0.43 N ATOM 531 CA SER A2082 8.447 -12.156 -0.032 1.00 0.43 C ATOM 532 C SER A2082 8.489 -10.839 0.742 1.00 0.33 C ATOM 533 O SER A2082 9.558 -10.328 1.071 1.00 0.38 O ATOM 534 CB SER A2082 9.620 -12.248 -1.003 1.00 0.54 C ATOM 535 OG SER A2082 10.855 -12.379 -0.318 1.00 0.63 O ATOM 0 H SER A2082 7.173 -11.783 -1.651 1.00 0.43 H new ATOM 0 HA SER A2082 8.521 -12.973 0.686 1.00 0.43 H new ATOM 0 HB2 SER A2082 9.478 -13.102 -1.666 1.00 0.54 H new ATOM 0 HB3 SER A2082 9.644 -11.357 -1.631 1.00 0.54 H new ATOM 0 HG SER A2082 10.885 -11.743 0.427 1.00 0.63 H new ATOM 541 N ILE A2083 7.317 -10.286 1.009 1.00 0.25 N ATOM 542 CA ILE A2083 7.208 -9.024 1.730 1.00 0.17 C ATOM 543 C ILE A2083 6.697 -9.260 3.142 1.00 0.15 C ATOM 544 O ILE A2083 5.569 -9.716 3.331 1.00 0.22 O ATOM 545 CB ILE A2083 6.246 -8.062 1.006 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.571 -8.037 -0.486 1.00 0.18 C ATOM 547 CG2 ILE A2083 6.329 -6.656 1.600 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.879 -7.370 -0.816 1.00 0.22 C ATOM 0 H ILE A2083 6.422 -10.692 0.736 1.00 0.25 H new ATOM 0 HA ILE A2083 8.202 -8.579 1.770 1.00 0.17 H new ATOM 0 HB ILE A2083 5.225 -8.419 1.142 1.00 0.13 H new ATOM 0 HG12 ILE A2083 6.592 -9.061 -0.860 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.769 -7.521 -1.014 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.641 -5.997 1.072 1.00 0.12 H new ATOM 0 HG22 ILE A2083 6.060 -6.691 2.656 1.00 0.12 H new ATOM 0 HG23 ILE A2083 7.346 -6.277 1.497 1.00 0.12 H new ATOM 0 HD11 ILE A2083 8.037 -7.393 -1.894 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.856 -6.335 -0.475 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.692 -7.898 -0.319 1.00 0.22 H new ATOM 560 N SER A2084 7.531 -8.969 4.128 1.00 0.14 N ATOM 561 CA SER A2084 7.144 -9.112 5.522 1.00 0.14 C ATOM 562 C SER A2084 6.410 -7.861 6.002 1.00 0.12 C ATOM 563 O SER A2084 7.012 -6.795 6.137 1.00 0.12 O ATOM 564 CB SER A2084 8.383 -9.362 6.381 1.00 0.19 C ATOM 565 OG SER A2084 9.112 -10.477 5.894 1.00 0.28 O ATOM 0 H SER A2084 8.483 -8.631 3.988 1.00 0.14 H new ATOM 0 HA SER A2084 6.470 -9.964 5.615 1.00 0.14 H new ATOM 0 HB2 SER A2084 9.018 -8.476 6.379 1.00 0.19 H new ATOM 0 HB3 SER A2084 8.086 -9.538 7.415 1.00 0.19 H new ATOM 0 HG SER A2084 9.903 -10.621 6.455 1.00 0.28 H new ATOM 571 N PRO A2085 5.096 -7.977 6.265 1.00 0.12 N ATOM 572 CA PRO A2085 4.268 -6.841 6.677 1.00 0.12 C ATOM 573 C PRO A2085 4.651 -6.298 8.036 1.00 0.12 C ATOM 574 O PRO A2085 4.431 -5.123 8.329 1.00 0.13 O ATOM 575 CB PRO A2085 2.853 -7.409 6.738 1.00 0.15 C ATOM 576 CG PRO A2085 3.021 -8.885 6.849 1.00 0.15 C ATOM 577 CD PRO A2085 4.317 -9.224 6.173 1.00 0.14 C ATOM 0 HA PRO A2085 4.383 -6.008 5.983 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.307 -7.011 7.593 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.285 -7.145 5.846 1.00 0.15 H new ATOM 0 HG2 PRO A2085 3.037 -9.195 7.894 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.189 -9.406 6.375 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.824 -10.050 6.671 1.00 0.14 H new ATOM 0 HD3 PRO A2085 4.162 -9.523 5.137 1.00 0.14 H new ATOM 585 N ALA A2086 5.208 -7.163 8.862 1.00 0.11 N ATOM 586 CA ALA A2086 5.561 -6.788 10.219 1.00 0.12 C ATOM 587 C ALA A2086 6.819 -5.927 10.258 1.00 0.11 C ATOM 588 O ALA A2086 6.972 -5.083 11.141 1.00 0.14 O ATOM 589 CB ALA A2086 5.738 -8.029 11.076 1.00 0.14 C ATOM 0 H ALA A2086 5.426 -8.129 8.618 1.00 0.11 H new ATOM 0 HA ALA A2086 4.744 -6.190 10.623 1.00 0.12 H new ATOM 0 HB1 ALA A2086 6.003 -7.735 12.092 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.807 -8.595 11.093 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.532 -8.649 10.659 1.00 0.14 H new ATOM 595 N THR A2087 7.719 -6.135 9.307 1.00 0.10 N ATOM 596 CA THR A2087 8.911 -5.320 9.223 1.00 0.11 C ATOM 597 C THR A2087 8.568 -3.995 8.586 1.00 0.10 C ATOM 598 O THR A2087 7.689 -3.907 7.729 1.00 0.10 O ATOM 599 CB THR A2087 10.010 -5.980 8.380 1.00 0.14 C ATOM 600 OG1 THR A2087 10.283 -7.298 8.867 1.00 0.16 O ATOM 601 CG2 THR A2087 11.292 -5.145 8.374 1.00 0.16 C ATOM 0 H THR A2087 7.643 -6.857 8.590 1.00 0.10 H new ATOM 0 HA THR A2087 9.284 -5.191 10.239 1.00 0.11 H new ATOM 0 HB THR A2087 9.648 -6.044 7.354 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.984 -7.710 8.320 1.00 0.16 H new ATOM 0 HG21 THR A2087 12.048 -5.643 7.767 1.00 0.16 H new ATOM 0 HG22 THR A2087 11.083 -4.160 7.956 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.660 -5.036 9.394 1.00 0.16 H new ATOM 609 N ALA A2088 9.273 -2.982 9.002 1.00 0.12 N ATOM 610 CA ALA A2088 9.079 -1.659 8.468 1.00 0.12 C ATOM 611 C ALA A2088 9.789 -1.539 7.144 1.00 0.11 C ATOM 612 O ALA A2088 10.884 -2.072 6.964 1.00 0.12 O ATOM 613 CB ALA A2088 9.582 -0.616 9.439 1.00 0.15 C ATOM 0 H ALA A2088 9.997 -3.046 9.718 1.00 0.12 H new ATOM 0 HA ALA A2088 8.013 -1.490 8.315 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.427 0.378 9.018 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.037 -0.701 10.379 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.645 -0.771 9.621 1.00 0.15 H new ATOM 619 N PHE A2089 9.139 -0.845 6.224 1.00 0.10 N ATOM 620 CA PHE A2089 9.659 -0.631 4.874 1.00 0.09 C ATOM 621 C PHE A2089 11.120 -0.232 4.871 1.00 0.09 C ATOM 622 O PHE A2089 11.876 -0.649 3.995 1.00 0.12 O ATOM 623 CB PHE A2089 8.867 0.457 4.179 1.00 0.09 C ATOM 624 CG PHE A2089 7.562 -0.007 3.628 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.524 -0.890 2.570 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.370 0.437 4.175 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.322 -1.323 2.063 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.164 0.006 3.670 1.00 0.12 C ATOM 629 CZ PHE A2089 5.142 -0.860 2.600 1.00 0.10 C ATOM 0 H PHE A2089 8.231 -0.410 6.389 1.00 0.10 H new ATOM 0 HA PHE A2089 9.561 -1.581 4.348 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.685 1.268 4.884 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.467 0.869 3.368 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.447 -1.245 2.136 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.387 1.128 5.005 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.303 -2.026 1.244 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.239 0.346 4.111 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.198 -1.176 2.181 1.00 0.10 H new ATOM 639 N LYS A2090 11.497 0.602 5.826 1.00 0.12 N ATOM 640 CA LYS A2090 12.878 0.985 6.001 1.00 0.16 C ATOM 641 C LYS A2090 13.774 -0.239 6.013 1.00 0.17 C ATOM 642 O LYS A2090 14.598 -0.434 5.122 1.00 0.20 O ATOM 643 CB LYS A2090 13.054 1.727 7.316 1.00 0.21 C ATOM 644 CG LYS A2090 14.496 2.068 7.599 1.00 0.29 C ATOM 645 CD LYS A2090 15.031 2.985 6.529 1.00 0.38 C ATOM 646 CE LYS A2090 16.005 2.269 5.619 1.00 1.54 C ATOM 647 NZ LYS A2090 16.356 3.079 4.419 1.00 1.69 N ATOM 0 H LYS A2090 10.855 1.027 6.495 1.00 0.12 H new ATOM 0 HA LYS A2090 13.155 1.632 5.168 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.465 2.644 7.294 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.662 1.116 8.129 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.580 2.547 8.575 1.00 0.29 H new ATOM 0 HG3 LYS A2090 15.092 1.156 7.639 1.00 0.29 H new ATOM 0 HD2 LYS A2090 14.203 3.379 5.939 1.00 0.38 H new ATOM 0 HD3 LYS A2090 15.526 3.838 6.994 1.00 0.38 H new ATOM 0 HE2 LYS A2090 16.913 2.034 6.175 1.00 1.54 H new ATOM 0 HE3 LYS A2090 15.572 1.321 5.301 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 17.255 2.739 4.022 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 15.605 2.986 3.706 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 16.453 4.078 4.691 1.00 1.69 H new ATOM 661 N ASP A2091 13.580 -1.063 7.028 1.00 0.17 N ATOM 662 CA ASP A2091 14.394 -2.257 7.222 1.00 0.20 C ATOM 663 C ASP A2091 14.168 -3.288 6.114 1.00 0.20 C ATOM 664 O ASP A2091 14.853 -4.309 6.048 1.00 0.32 O ATOM 665 CB ASP A2091 14.114 -2.876 8.590 1.00 0.24 C ATOM 666 CG ASP A2091 14.495 -1.947 9.724 1.00 1.23 C ATOM 667 OD1 ASP A2091 13.585 -1.431 10.407 1.00 2.27 O ATOM 668 OD2 ASP A2091 15.705 -1.712 9.924 1.00 1.15 O ATOM 0 H ASP A2091 12.860 -0.928 7.738 1.00 0.17 H new ATOM 0 HA ASP A2091 15.439 -1.951 7.177 1.00 0.20 H new ATOM 0 HB2 ASP A2091 13.055 -3.124 8.665 1.00 0.24 H new ATOM 0 HB3 ASP A2091 14.668 -3.810 8.685 1.00 0.24 H new ATOM 673 N LEU A2092 13.194 -3.024 5.258 1.00 0.16 N ATOM 674 CA LEU A2092 12.924 -3.866 4.106 1.00 0.18 C ATOM 675 C LEU A2092 13.718 -3.413 2.887 1.00 0.19 C ATOM 676 O LEU A2092 13.851 -4.157 1.915 1.00 0.24 O ATOM 677 CB LEU A2092 11.428 -3.860 3.814 1.00 0.17 C ATOM 678 CG LEU A2092 10.597 -4.505 4.914 1.00 0.19 C ATOM 679 CD1 LEU A2092 9.112 -4.370 4.660 1.00 0.18 C ATOM 680 CD2 LEU A2092 10.983 -5.958 5.042 1.00 0.23 C ATOM 0 H LEU A2092 12.570 -2.222 5.343 1.00 0.16 H new ATOM 0 HA LEU A2092 13.241 -4.883 4.335 1.00 0.18 H new ATOM 0 HB2 LEU A2092 11.096 -2.831 3.674 1.00 0.17 H new ATOM 0 HB3 LEU A2092 11.246 -4.384 2.876 1.00 0.17 H new ATOM 0 HG LEU A2092 10.806 -3.983 5.848 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.560 -4.845 5.471 1.00 0.18 H new ATOM 0 HD12 LEU A2092 8.846 -3.314 4.609 1.00 0.18 H new ATOM 0 HD13 LEU A2092 8.859 -4.854 3.716 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.390 -6.424 5.829 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.797 -6.468 4.097 1.00 0.23 H new ATOM 0 HD23 LEU A2092 12.041 -6.033 5.293 1.00 0.23 H new ATOM 692 N GLY A2093 14.253 -2.201 2.944 1.00 0.16 N ATOM 693 CA GLY A2093 15.086 -1.719 1.863 1.00 0.18 C ATOM 694 C GLY A2093 14.573 -0.441 1.231 1.00 0.15 C ATOM 695 O GLY A2093 15.181 0.068 0.288 1.00 0.20 O ATOM 0 H GLY A2093 14.125 -1.547 3.716 1.00 0.16 H new ATOM 0 HA2 GLY A2093 16.095 -1.550 2.239 1.00 0.18 H new ATOM 0 HA3 GLY A2093 15.157 -2.491 1.097 1.00 0.18 H new ATOM 699 N ILE A2094 13.461 0.082 1.732 1.00 0.13 N ATOM 700 CA ILE A2094 12.882 1.301 1.191 1.00 0.12 C ATOM 701 C ILE A2094 13.756 2.528 1.446 1.00 0.12 C ATOM 702 O ILE A2094 14.215 2.766 2.570 1.00 0.16 O ATOM 703 CB ILE A2094 11.470 1.515 1.771 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.483 0.617 1.030 1.00 0.18 C ATOM 705 CG2 ILE A2094 11.047 2.974 1.700 1.00 0.18 C ATOM 706 CD1 ILE A2094 10.113 1.134 -0.337 1.00 0.32 C ATOM 0 H ILE A2094 12.943 -0.321 2.513 1.00 0.13 H new ATOM 0 HA ILE A2094 12.818 1.179 0.110 1.00 0.12 H new ATOM 0 HB ILE A2094 11.480 1.245 2.827 1.00 0.12 H new ATOM 0 HG12 ILE A2094 10.914 -0.379 0.929 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.578 0.513 1.628 1.00 0.18 H new ATOM 0 HG21 ILE A2094 10.046 3.084 2.118 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.748 3.584 2.270 1.00 0.18 H new ATOM 0 HG23 ILE A2094 11.043 3.302 0.660 1.00 0.18 H new ATOM 0 HD11 ILE A2094 9.409 0.448 -0.807 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.653 2.117 -0.242 1.00 0.32 H new ATOM 0 HD13 ILE A2094 11.010 1.211 -0.952 1.00 0.32 H new ATOM 718 N ASP A2095 13.991 3.292 0.382 1.00 0.15 N ATOM 719 CA ASP A2095 14.682 4.571 0.487 1.00 0.19 C ATOM 720 C ASP A2095 13.656 5.690 0.383 1.00 0.16 C ATOM 721 O ASP A2095 12.477 5.414 0.183 1.00 0.17 O ATOM 722 CB ASP A2095 15.729 4.735 -0.618 1.00 0.28 C ATOM 723 CG ASP A2095 16.751 3.619 -0.650 1.00 1.04 C ATOM 724 OD1 ASP A2095 17.620 3.578 0.243 1.00 1.23 O ATOM 725 OD2 ASP A2095 16.684 2.766 -1.560 1.00 1.86 O ATOM 0 H ASP A2095 13.711 3.044 -0.567 1.00 0.15 H new ATOM 0 HA ASP A2095 15.199 4.610 1.446 1.00 0.19 H new ATOM 0 HB2 ASP A2095 15.224 4.782 -1.583 1.00 0.28 H new ATOM 0 HB3 ASP A2095 16.245 5.686 -0.481 1.00 0.28 H new ATOM 730 N SER A2096 14.080 6.939 0.483 1.00 0.19 N ATOM 731 CA SER A2096 13.139 8.054 0.420 1.00 0.20 C ATOM 732 C SER A2096 12.491 8.154 -0.965 1.00 0.17 C ATOM 733 O SER A2096 11.342 8.578 -1.099 1.00 0.20 O ATOM 734 CB SER A2096 13.842 9.363 0.776 1.00 0.26 C ATOM 735 OG SER A2096 14.459 9.274 2.052 1.00 1.32 O ATOM 0 H SER A2096 15.056 7.208 0.607 1.00 0.19 H new ATOM 0 HA SER A2096 12.349 7.870 1.148 1.00 0.20 H new ATOM 0 HB2 SER A2096 14.592 9.595 0.020 1.00 0.26 H new ATOM 0 HB3 SER A2096 13.121 10.181 0.772 1.00 0.26 H new ATOM 0 HG SER A2096 14.905 10.122 2.260 1.00 1.32 H new ATOM 741 N LEU A2097 13.227 7.741 -1.989 1.00 0.17 N ATOM 742 CA LEU A2097 12.723 7.757 -3.359 1.00 0.19 C ATOM 743 C LEU A2097 11.666 6.702 -3.533 1.00 0.18 C ATOM 744 O LEU A2097 10.563 6.976 -3.980 1.00 0.24 O ATOM 745 CB LEU A2097 13.854 7.476 -4.335 1.00 0.23 C ATOM 746 CG LEU A2097 15.084 8.359 -4.181 1.00 1.07 C ATOM 747 CD1 LEU A2097 16.143 7.976 -5.199 1.00 1.61 C ATOM 748 CD2 LEU A2097 14.715 9.829 -4.313 1.00 1.55 C ATOM 0 H LEU A2097 14.180 7.389 -1.897 1.00 0.17 H new ATOM 0 HA LEU A2097 12.299 8.742 -3.557 1.00 0.19 H new ATOM 0 HB2 LEU A2097 14.158 6.435 -4.222 1.00 0.23 H new ATOM 0 HB3 LEU A2097 13.472 7.588 -5.350 1.00 0.23 H new ATOM 0 HG LEU A2097 15.494 8.204 -3.183 1.00 1.07 H new ATOM 0 HD11 LEU A2097 17.016 8.617 -5.075 1.00 1.61 H new ATOM 0 HD12 LEU A2097 16.433 6.936 -5.049 1.00 1.61 H new ATOM 0 HD13 LEU A2097 15.742 8.099 -6.205 1.00 1.61 H new ATOM 0 HD21 LEU A2097 15.610 10.440 -4.199 1.00 1.55 H new ATOM 0 HD22 LEU A2097 14.276 10.007 -5.295 1.00 1.55 H new ATOM 0 HD23 LEU A2097 13.994 10.094 -3.540 1.00 1.55 H new ATOM 760 N THR A2098 12.011 5.493 -3.177 1.00 0.14 N ATOM 761 CA THR A2098 11.091 4.392 -3.331 1.00 0.15 C ATOM 762 C THR A2098 9.926 4.457 -2.357 1.00 0.16 C ATOM 763 O THR A2098 8.851 3.927 -2.639 1.00 0.17 O ATOM 764 CB THR A2098 11.792 3.044 -3.266 1.00 0.15 C ATOM 765 OG1 THR A2098 12.953 3.116 -2.422 1.00 0.17 O ATOM 766 CG2 THR A2098 12.179 2.632 -4.671 1.00 0.19 C ATOM 0 H THR A2098 12.917 5.244 -2.780 1.00 0.14 H new ATOM 0 HA THR A2098 10.671 4.494 -4.332 1.00 0.15 H new ATOM 0 HB THR A2098 11.119 2.301 -2.838 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.390 2.239 -2.391 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.683 1.666 -4.641 1.00 0.19 H new ATOM 0 HG22 THR A2098 11.283 2.555 -5.287 1.00 0.19 H new ATOM 0 HG23 THR A2098 12.849 3.378 -5.097 1.00 0.19 H new ATOM 774 N ALA A2099 10.128 5.107 -1.219 1.00 0.16 N ATOM 775 CA ALA A2099 9.020 5.424 -0.327 1.00 0.18 C ATOM 776 C ALA A2099 8.003 6.284 -1.064 1.00 0.21 C ATOM 777 O ALA A2099 6.812 6.301 -0.748 1.00 0.24 O ATOM 778 CB ALA A2099 9.520 6.152 0.912 1.00 0.18 C ATOM 0 H ALA A2099 11.041 5.423 -0.893 1.00 0.16 H new ATOM 0 HA ALA A2099 8.547 4.495 -0.010 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.677 6.380 1.565 1.00 0.18 H new ATOM 0 HB2 ALA A2099 10.231 5.519 1.444 1.00 0.18 H new ATOM 0 HB3 ALA A2099 10.011 7.079 0.616 1.00 0.18 H new ATOM 784 N LEU A2100 8.493 6.969 -2.079 1.00 0.20 N ATOM 785 CA LEU A2100 7.685 7.844 -2.886 1.00 0.24 C ATOM 786 C LEU A2100 7.101 7.051 -4.056 1.00 0.20 C ATOM 787 O LEU A2100 5.942 7.229 -4.421 1.00 0.21 O ATOM 788 CB LEU A2100 8.557 9.026 -3.346 1.00 0.30 C ATOM 789 CG LEU A2100 8.483 9.386 -4.825 1.00 0.24 C ATOM 790 CD1 LEU A2100 7.184 10.106 -5.128 1.00 1.03 C ATOM 791 CD2 LEU A2100 9.675 10.227 -5.239 1.00 1.15 C ATOM 0 H LEU A2100 9.472 6.929 -2.364 1.00 0.20 H new ATOM 0 HA LEU A2100 6.845 8.248 -2.320 1.00 0.24 H new ATOM 0 HB2 LEU A2100 8.275 9.905 -2.766 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.595 8.801 -3.100 1.00 0.30 H new ATOM 0 HG LEU A2100 8.509 8.463 -5.404 1.00 0.24 H new ATOM 0 HD11 LEU A2100 7.146 10.357 -6.188 1.00 1.03 H new ATOM 0 HD12 LEU A2100 6.343 9.460 -4.877 1.00 1.03 H new ATOM 0 HD13 LEU A2100 7.128 11.020 -4.537 1.00 1.03 H new ATOM 0 HD21 LEU A2100 9.598 10.470 -6.299 1.00 1.15 H new ATOM 0 HD22 LEU A2100 9.691 11.148 -4.656 1.00 1.15 H new ATOM 0 HD23 LEU A2100 10.594 9.668 -5.061 1.00 1.15 H new ATOM 803 N GLU A2101 7.901 6.144 -4.610 1.00 0.21 N ATOM 804 CA GLU A2101 7.466 5.309 -5.727 1.00 0.20 C ATOM 805 C GLU A2101 6.351 4.361 -5.307 1.00 0.17 C ATOM 806 O GLU A2101 5.456 4.045 -6.097 1.00 0.17 O ATOM 807 CB GLU A2101 8.641 4.515 -6.274 1.00 0.23 C ATOM 808 CG GLU A2101 9.810 5.394 -6.649 1.00 0.28 C ATOM 809 CD GLU A2101 10.824 4.688 -7.524 1.00 0.33 C ATOM 810 OE1 GLU A2101 12.016 4.649 -7.150 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.435 4.156 -8.579 1.00 0.45 O ATOM 0 H GLU A2101 8.857 5.968 -4.303 1.00 0.21 H new ATOM 0 HA GLU A2101 7.078 5.965 -6.506 1.00 0.20 H new ATOM 0 HB2 GLU A2101 8.962 3.788 -5.528 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.318 3.952 -7.150 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.441 6.277 -7.170 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.302 5.742 -5.741 1.00 0.28 H new ATOM 818 N LEU A2102 6.416 3.889 -4.071 1.00 0.16 N ATOM 819 CA LEU A2102 5.351 3.082 -3.513 1.00 0.16 C ATOM 820 C LEU A2102 4.029 3.804 -3.572 1.00 0.16 C ATOM 821 O LEU A2102 3.109 3.376 -4.259 1.00 0.21 O ATOM 822 CB LEU A2102 5.647 2.735 -2.069 1.00 0.22 C ATOM 823 CG LEU A2102 6.711 1.680 -1.868 1.00 0.53 C ATOM 824 CD1 LEU A2102 6.585 1.077 -0.496 1.00 1.09 C ATOM 825 CD2 LEU A2102 6.602 0.614 -2.935 1.00 1.13 C ATOM 0 H LEU A2102 7.198 4.054 -3.437 1.00 0.16 H new ATOM 0 HA LEU A2102 5.290 2.172 -4.110 1.00 0.16 H new ATOM 0 HB2 LEU A2102 5.954 3.642 -1.549 1.00 0.22 H new ATOM 0 HB3 LEU A2102 4.725 2.394 -1.597 1.00 0.22 H new ATOM 0 HG LEU A2102 7.693 2.146 -1.952 1.00 0.53 H new ATOM 0 HD11 LEU A2102 7.355 0.318 -0.360 1.00 1.09 H new ATOM 0 HD12 LEU A2102 6.706 1.856 0.256 1.00 1.09 H new ATOM 0 HD13 LEU A2102 5.602 0.619 -0.389 1.00 1.09 H new ATOM 0 HD21 LEU A2102 7.374 -0.139 -2.777 1.00 1.13 H new ATOM 0 HD22 LEU A2102 5.620 0.144 -2.880 1.00 1.13 H new ATOM 0 HD23 LEU A2102 6.733 1.068 -3.917 1.00 1.13 H new ATOM 837 N ARG A2103 3.947 4.893 -2.828 1.00 0.18 N ATOM 838 CA ARG A2103 2.732 5.704 -2.785 1.00 0.25 C ATOM 839 C ARG A2103 2.279 6.086 -4.194 1.00 0.22 C ATOM 840 O ARG A2103 1.087 6.193 -4.451 1.00 0.24 O ATOM 841 CB ARG A2103 2.945 6.960 -1.927 1.00 0.37 C ATOM 842 CG ARG A2103 3.811 8.026 -2.578 1.00 0.72 C ATOM 843 CD ARG A2103 2.982 9.188 -3.113 1.00 0.65 C ATOM 844 NE ARG A2103 3.796 10.138 -3.874 1.00 1.21 N ATOM 845 CZ ARG A2103 3.531 11.444 -3.976 1.00 1.49 C ATOM 846 NH1 ARG A2103 2.458 11.967 -3.388 1.00 1.92 N ATOM 847 NH2 ARG A2103 4.331 12.228 -4.687 1.00 2.11 N ATOM 0 H ARG A2103 4.706 5.241 -2.242 1.00 0.18 H new ATOM 0 HA ARG A2103 1.945 5.105 -2.326 1.00 0.25 H new ATOM 0 HB2 ARG A2103 1.973 7.393 -1.691 1.00 0.37 H new ATOM 0 HB3 ARG A2103 3.401 6.666 -0.982 1.00 0.37 H new ATOM 0 HG2 ARG A2103 4.533 8.400 -1.852 1.00 0.72 H new ATOM 0 HG3 ARG A2103 4.381 7.581 -3.394 1.00 0.72 H new ATOM 0 HD2 ARG A2103 2.185 8.802 -3.749 1.00 0.65 H new ATOM 0 HD3 ARG A2103 2.504 9.705 -2.281 1.00 0.65 H new ATOM 0 HE ARG A2103 4.619 9.780 -4.358 1.00 1.21 H new ATOM 0 HH11 ARG A2103 1.828 11.370 -2.853 1.00 1.92 H new ATOM 0 HH12 ARG A2103 2.266 12.965 -3.473 1.00 1.92 H new ATOM 0 HH21 ARG A2103 5.147 11.834 -5.155 1.00 2.11 H new ATOM 0 HH22 ARG A2103 4.130 13.225 -4.766 1.00 2.11 H new ATOM 861 N ASN A2104 3.239 6.281 -5.097 1.00 0.21 N ATOM 862 CA ASN A2104 2.943 6.534 -6.500 1.00 0.22 C ATOM 863 C ASN A2104 2.079 5.414 -7.073 1.00 0.23 C ATOM 864 O ASN A2104 1.025 5.658 -7.655 1.00 0.29 O ATOM 865 CB ASN A2104 4.246 6.644 -7.299 1.00 0.23 C ATOM 866 CG ASN A2104 4.955 7.974 -7.134 1.00 0.31 C ATOM 867 OD1 ASN A2104 4.358 8.973 -6.728 1.00 0.40 O ATOM 868 ND2 ASN A2104 6.231 8.000 -7.485 1.00 0.36 N ATOM 0 H ASN A2104 4.235 6.268 -4.876 1.00 0.21 H new ATOM 0 HA ASN A2104 2.395 7.473 -6.575 1.00 0.22 H new ATOM 0 HB2 ASN A2104 4.919 5.844 -6.991 1.00 0.23 H new ATOM 0 HB3 ASN A2104 4.028 6.488 -8.355 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.759 8.871 -7.425 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.686 7.149 -7.816 1.00 0.36 H new ATOM 875 N THR A2105 2.528 4.183 -6.877 1.00 0.21 N ATOM 876 CA THR A2105 1.801 3.008 -7.340 1.00 0.24 C ATOM 877 C THR A2105 0.517 2.807 -6.531 1.00 0.22 C ATOM 878 O THR A2105 -0.542 2.508 -7.085 1.00 0.24 O ATOM 879 CB THR A2105 2.685 1.748 -7.214 1.00 0.28 C ATOM 880 OG1 THR A2105 3.968 1.993 -7.812 1.00 0.33 O ATOM 881 CG2 THR A2105 2.034 0.548 -7.884 1.00 0.28 C ATOM 0 H THR A2105 3.402 3.970 -6.395 1.00 0.21 H new ATOM 0 HA THR A2105 1.539 3.167 -8.386 1.00 0.24 H new ATOM 0 HB THR A2105 2.806 1.525 -6.154 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.502 2.563 -7.219 1.00 0.33 H new ATOM 0 HG21 THR A2105 2.681 -0.323 -7.778 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.072 0.345 -7.413 1.00 0.28 H new ATOM 0 HG23 THR A2105 1.882 0.760 -8.942 1.00 0.28 H new ATOM 889 N LEU A2106 0.628 2.992 -5.221 1.00 0.20 N ATOM 890 CA LEU A2106 -0.487 2.802 -4.296 1.00 0.19 C ATOM 891 C LEU A2106 -1.630 3.761 -4.587 1.00 0.18 C ATOM 892 O LEU A2106 -2.760 3.334 -4.793 1.00 0.22 O ATOM 893 CB LEU A2106 -0.010 3.009 -2.854 1.00 0.28 C ATOM 894 CG LEU A2106 0.533 1.773 -2.130 1.00 0.50 C ATOM 895 CD1 LEU A2106 1.505 0.995 -3.001 1.00 1.25 C ATOM 896 CD2 LEU A2106 1.208 2.187 -0.834 1.00 1.47 C ATOM 0 H LEU A2106 1.495 3.279 -4.767 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.853 1.784 -4.428 1.00 0.19 H new ATOM 0 HB2 LEU A2106 0.769 3.772 -2.858 1.00 0.28 H new ATOM 0 HB3 LEU A2106 -0.842 3.407 -2.273 1.00 0.28 H new ATOM 0 HG LEU A2106 -0.309 1.118 -1.908 1.00 0.50 H new ATOM 0 HD11 LEU A2106 1.869 0.126 -2.453 1.00 1.25 H new ATOM 0 HD12 LEU A2106 0.998 0.666 -3.908 1.00 1.25 H new ATOM 0 HD13 LEU A2106 2.347 1.634 -3.267 1.00 1.25 H new ATOM 0 HD21 LEU A2106 1.592 1.303 -0.325 1.00 1.47 H new ATOM 0 HD22 LEU A2106 2.032 2.865 -1.054 1.00 1.47 H new ATOM 0 HD23 LEU A2106 0.485 2.690 -0.192 1.00 1.47 H new ATOM 908 N THR A2107 -1.334 5.055 -4.611 1.00 0.19 N ATOM 909 CA THR A2107 -2.362 6.071 -4.787 1.00 0.27 C ATOM 910 C THR A2107 -2.985 5.955 -6.183 1.00 0.29 C ATOM 911 O THR A2107 -4.145 6.298 -6.393 1.00 0.33 O ATOM 912 CB THR A2107 -1.796 7.495 -4.529 1.00 0.37 C ATOM 913 OG1 THR A2107 -2.843 8.387 -4.152 1.00 0.67 O ATOM 914 CG2 THR A2107 -1.074 8.057 -5.740 1.00 0.44 C ATOM 0 H THR A2107 -0.389 5.425 -4.511 1.00 0.19 H new ATOM 0 HA THR A2107 -3.147 5.902 -4.050 1.00 0.27 H new ATOM 0 HB THR A2107 -1.074 7.403 -3.718 1.00 0.37 H new ATOM 0 HG1 THR A2107 -3.511 8.428 -4.868 1.00 0.67 H new ATOM 0 HG21 THR A2107 -0.697 9.053 -5.509 1.00 0.44 H new ATOM 0 HG22 THR A2107 -0.240 7.405 -6.001 1.00 0.44 H new ATOM 0 HG23 THR A2107 -1.765 8.116 -6.581 1.00 0.44 H new ATOM 922 N HIS A2108 -2.198 5.443 -7.123 1.00 0.29 N ATOM 923 CA HIS A2108 -2.672 5.150 -8.470 1.00 0.35 C ATOM 924 C HIS A2108 -3.648 3.979 -8.452 1.00 0.35 C ATOM 925 O HIS A2108 -4.715 4.024 -9.061 1.00 0.47 O ATOM 926 CB HIS A2108 -1.474 4.816 -9.353 1.00 0.38 C ATOM 927 CG HIS A2108 -1.813 4.590 -10.791 1.00 0.61 C ATOM 928 ND1 HIS A2108 -1.966 5.605 -11.710 1.00 0.71 N ATOM 929 CD2 HIS A2108 -2.021 3.440 -11.462 1.00 1.06 C ATOM 930 CE1 HIS A2108 -2.257 5.085 -12.889 1.00 1.01 C ATOM 931 NE2 HIS A2108 -2.295 3.770 -12.766 1.00 1.29 N ATOM 0 H HIS A2108 -1.214 5.220 -6.972 1.00 0.29 H new ATOM 0 HA HIS A2108 -3.194 6.022 -8.866 1.00 0.35 H new ATOM 0 HB2 HIS A2108 -0.750 5.628 -9.286 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.987 3.923 -8.962 1.00 0.38 H new ATOM 0 HD2 HIS A2108 -1.980 2.443 -11.050 1.00 1.06 H new ATOM 0 HE1 HIS A2108 -2.434 5.640 -13.798 1.00 1.01 H new ATOM 0 HE2 HIS A2108 -2.495 3.109 -13.517 1.00 1.29 H new ATOM 940 N ASN A2109 -3.254 2.935 -7.748 1.00 0.27 N ATOM 941 CA ASN A2109 -4.037 1.700 -7.657 1.00 0.28 C ATOM 942 C ASN A2109 -5.313 1.878 -6.834 1.00 0.28 C ATOM 943 O ASN A2109 -6.369 1.353 -7.183 1.00 0.36 O ATOM 944 CB ASN A2109 -3.173 0.593 -7.053 1.00 0.28 C ATOM 945 CG ASN A2109 -2.524 -0.275 -8.113 1.00 0.35 C ATOM 946 OD1 ASN A2109 -3.090 -1.281 -8.542 1.00 0.40 O ATOM 947 ND2 ASN A2109 -1.336 0.110 -8.545 1.00 0.39 N ATOM 0 H ASN A2109 -2.382 2.911 -7.219 1.00 0.27 H new ATOM 0 HA ASN A2109 -4.344 1.427 -8.667 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.399 1.039 -6.429 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.787 -0.030 -6.403 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -0.853 -0.433 -9.261 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -0.902 0.950 -8.163 1.00 0.39 H new ATOM 954 N THR A2110 -5.206 2.629 -5.756 1.00 0.25 N ATOM 955 CA THR A2110 -6.320 2.867 -4.854 1.00 0.26 C ATOM 956 C THR A2110 -7.221 3.948 -5.422 1.00 0.27 C ATOM 957 O THR A2110 -8.424 3.992 -5.149 1.00 0.33 O ATOM 958 CB THR A2110 -5.793 3.272 -3.477 1.00 0.27 C ATOM 959 OG1 THR A2110 -4.898 4.384 -3.609 1.00 0.24 O ATOM 960 CG2 THR A2110 -5.068 2.108 -2.820 1.00 0.29 C ATOM 0 H THR A2110 -4.342 3.094 -5.478 1.00 0.25 H new ATOM 0 HA THR A2110 -6.902 1.952 -4.748 1.00 0.26 H new ATOM 0 HB THR A2110 -6.638 3.557 -2.851 1.00 0.27 H new ATOM 0 HG1 THR A2110 -3.994 4.056 -3.797 1.00 0.24 H new ATOM 0 HG21 THR A2110 -4.700 2.415 -1.841 1.00 0.29 H new ATOM 0 HG22 THR A2110 -5.756 1.270 -2.703 1.00 0.29 H new ATOM 0 HG23 THR A2110 -4.228 1.803 -3.444 1.00 0.29 H new ATOM 968 N GLY A2111 -6.624 4.800 -6.249 1.00 0.23 N ATOM 969 CA GLY A2111 -7.349 5.886 -6.861 1.00 0.26 C ATOM 970 C GLY A2111 -7.438 7.073 -5.934 1.00 0.29 C ATOM 971 O GLY A2111 -8.034 8.102 -6.259 1.00 0.36 O ATOM 0 H GLY A2111 -5.638 4.752 -6.505 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -6.855 6.181 -7.787 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -8.352 5.553 -7.127 1.00 0.26 H new ATOM 975 N LEU A2112 -6.828 6.912 -4.776 1.00 0.28 N ATOM 976 CA LEU A2112 -6.830 7.916 -3.732 1.00 0.34 C ATOM 977 C LEU A2112 -5.795 8.974 -4.016 1.00 0.29 C ATOM 978 O LEU A2112 -5.211 9.030 -5.101 1.00 0.29 O ATOM 979 CB LEU A2112 -6.504 7.237 -2.402 1.00 0.43 C ATOM 980 CG LEU A2112 -7.269 5.942 -2.156 1.00 0.33 C ATOM 981 CD1 LEU A2112 -6.602 5.110 -1.082 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.697 6.234 -1.777 1.00 0.47 C ATOM 0 H LEU A2112 -6.310 6.068 -4.531 1.00 0.28 H new ATOM 0 HA LEU A2112 -7.811 8.390 -3.689 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -5.435 7.026 -2.367 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -6.718 7.932 -1.590 1.00 0.43 H new ATOM 0 HG LEU A2112 -7.263 5.369 -3.083 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -7.170 4.192 -0.928 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -5.587 4.861 -1.392 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -6.568 5.676 -0.151 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -9.227 5.297 -1.605 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -8.717 6.834 -0.867 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.183 6.783 -2.584 1.00 0.47 H new ATOM 994 N ASP A2113 -5.586 9.808 -3.033 1.00 0.28 N ATOM 995 CA ASP A2113 -4.541 10.802 -3.086 1.00 0.28 C ATOM 996 C ASP A2113 -3.756 10.749 -1.800 1.00 0.30 C ATOM 997 O ASP A2113 -4.317 10.869 -0.709 1.00 0.35 O ATOM 998 CB ASP A2113 -5.133 12.178 -3.300 1.00 0.34 C ATOM 999 CG ASP A2113 -4.080 13.267 -3.312 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -3.368 13.395 -4.331 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -3.964 14.010 -2.315 1.00 0.43 O ATOM 0 H ASP A2113 -6.133 9.820 -2.172 1.00 0.28 H new ATOM 0 HA ASP A2113 -3.875 10.594 -3.924 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -5.677 12.193 -4.244 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -5.857 12.385 -2.512 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.469 10.538 -1.941 1.00 0.30 N ATOM 1007 CA LEU A2114 -1.613 10.207 -0.815 1.00 0.30 C ATOM 1008 C LEU A2114 -0.283 10.945 -0.878 1.00 0.30 C ATOM 1009 O LEU A2114 0.242 11.217 -1.957 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.354 8.704 -0.815 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.609 7.838 -0.838 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -2.243 6.376 -0.978 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.432 8.077 0.418 1.00 0.91 C ATOM 0 H LEU A2114 -1.982 10.590 -2.836 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.122 10.513 0.099 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.742 8.455 -1.682 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -0.771 8.450 0.070 1.00 0.32 H new ATOM 0 HG LEU A2114 -3.213 8.116 -1.702 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -3.151 5.773 -0.993 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -1.693 6.226 -1.907 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -1.621 6.074 -0.135 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -4.326 7.454 0.391 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -2.838 7.823 1.296 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -3.723 9.126 0.468 1.00 0.91 H new ATOM 1025 N PRO A2115 0.284 11.250 0.295 1.00 0.29 N ATOM 1026 CA PRO A2115 1.572 11.934 0.413 1.00 0.31 C ATOM 1027 C PRO A2115 2.743 10.980 0.209 1.00 0.28 C ATOM 1028 O PRO A2115 2.604 9.767 0.368 1.00 0.25 O ATOM 1029 CB PRO A2115 1.553 12.411 1.862 1.00 0.33 C ATOM 1030 CG PRO A2115 0.803 11.340 2.568 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.291 10.942 1.620 1.00 0.30 C ATOM 0 HA PRO A2115 1.698 12.722 -0.329 1.00 0.31 H new ATOM 0 HB2 PRO A2115 2.561 12.525 2.261 1.00 0.33 H new ATOM 0 HB3 PRO A2115 1.060 13.378 1.960 1.00 0.33 H new ATOM 0 HG2 PRO A2115 1.449 10.494 2.802 1.00 0.29 H new ATOM 0 HG3 PRO A2115 0.395 11.701 3.512 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -0.542 9.885 1.715 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.207 11.504 1.802 1.00 0.30 H new ATOM 1039 N PRO A2116 3.923 11.512 -0.129 1.00 0.33 N ATOM 1040 CA PRO A2116 5.138 10.711 -0.231 1.00 0.36 C ATOM 1041 C PRO A2116 5.706 10.389 1.150 1.00 0.34 C ATOM 1042 O PRO A2116 6.742 9.739 1.275 1.00 0.43 O ATOM 1043 CB PRO A2116 6.080 11.610 -1.030 1.00 0.44 C ATOM 1044 CG PRO A2116 5.654 12.994 -0.685 1.00 0.46 C ATOM 1045 CD PRO A2116 4.167 12.931 -0.456 1.00 0.43 C ATOM 0 HA PRO A2116 4.975 9.742 -0.703 1.00 0.36 H new ATOM 0 HB2 PRO A2116 7.121 11.436 -0.758 1.00 0.44 H new ATOM 0 HB3 PRO A2116 5.994 11.423 -2.100 1.00 0.44 H new ATOM 0 HG2 PRO A2116 6.170 13.349 0.207 1.00 0.46 H new ATOM 0 HG3 PRO A2116 5.895 13.688 -1.491 1.00 0.46 H new ATOM 0 HD2 PRO A2116 3.859 13.588 0.357 1.00 0.43 H new ATOM 0 HD3 PRO A2116 3.612 13.239 -1.342 1.00 0.43 H new ATOM 1053 N THR A2117 5.006 10.847 2.182 1.00 0.27 N ATOM 1054 CA THR A2117 5.401 10.603 3.556 1.00 0.24 C ATOM 1055 C THR A2117 4.624 9.439 4.165 1.00 0.17 C ATOM 1056 O THR A2117 4.793 9.134 5.342 1.00 0.15 O ATOM 1057 CB THR A2117 5.188 11.858 4.415 1.00 0.27 C ATOM 1058 OG1 THR A2117 3.895 12.412 4.143 1.00 0.32 O ATOM 1059 CG2 THR A2117 6.263 12.897 4.138 1.00 0.36 C ATOM 0 H THR A2117 4.152 11.396 2.086 1.00 0.27 H new ATOM 0 HA THR A2117 6.460 10.346 3.543 1.00 0.24 H new ATOM 0 HB THR A2117 5.252 11.573 5.465 1.00 0.27 H new ATOM 0 HG1 THR A2117 3.759 13.212 4.693 1.00 0.32 H new ATOM 0 HG21 THR A2117 6.089 13.776 4.759 1.00 0.36 H new ATOM 0 HG22 THR A2117 7.242 12.478 4.369 1.00 0.36 H new ATOM 0 HG23 THR A2117 6.230 13.184 3.087 1.00 0.36 H new ATOM 1067 N LEU A2118 3.760 8.808 3.364 1.00 0.16 N ATOM 1068 CA LEU A2118 3.038 7.600 3.780 1.00 0.16 C ATOM 1069 C LEU A2118 3.917 6.643 4.554 1.00 0.16 C ATOM 1070 O LEU A2118 3.657 6.332 5.715 1.00 0.19 O ATOM 1071 CB LEU A2118 2.550 6.833 2.567 1.00 0.23 C ATOM 1072 CG LEU A2118 1.298 7.343 1.895 1.00 0.33 C ATOM 1073 CD1 LEU A2118 0.930 6.377 0.793 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.176 7.476 2.909 1.00 0.77 C ATOM 0 H LEU A2118 3.542 9.116 2.416 1.00 0.16 H new ATOM 0 HA LEU A2118 2.215 7.946 4.406 1.00 0.16 H new ATOM 0 HB2 LEU A2118 3.351 6.822 1.828 1.00 0.23 H new ATOM 0 HB3 LEU A2118 2.377 5.799 2.866 1.00 0.23 H new ATOM 0 HG LEU A2118 1.468 8.332 1.469 1.00 0.33 H new ATOM 0 HD11 LEU A2118 0.027 6.724 0.291 1.00 0.79 H new ATOM 0 HD12 LEU A2118 1.746 6.319 0.072 1.00 0.79 H new ATOM 0 HD13 LEU A2118 0.752 5.390 1.219 1.00 0.79 H new ATOM 0 HD21 LEU A2118 -0.721 7.845 2.412 1.00 0.77 H new ATOM 0 HD22 LEU A2118 -0.029 6.502 3.354 1.00 0.77 H new ATOM 0 HD23 LEU A2118 0.472 8.177 3.690 1.00 0.77 H new ATOM 1086 N ILE A2119 4.942 6.170 3.865 1.00 0.15 N ATOM 1087 CA ILE A2119 5.862 5.169 4.388 1.00 0.18 C ATOM 1088 C ILE A2119 6.480 5.615 5.713 1.00 0.20 C ATOM 1089 O ILE A2119 6.895 4.795 6.526 1.00 0.28 O ATOM 1090 CB ILE A2119 6.998 4.897 3.385 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.472 4.839 1.940 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.725 3.612 3.738 1.00 0.24 C ATOM 1093 CD1 ILE A2119 5.366 3.837 1.691 1.00 0.20 C ATOM 0 H ILE A2119 5.163 6.472 2.916 1.00 0.15 H new ATOM 0 HA ILE A2119 5.283 4.260 4.551 1.00 0.18 H new ATOM 0 HB ILE A2119 7.702 5.726 3.450 1.00 0.19 H new ATOM 0 HG12 ILE A2119 6.111 5.829 1.663 1.00 0.19 H new ATOM 0 HG13 ILE A2119 7.305 4.607 1.277 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.524 3.437 3.018 1.00 0.24 H new ATOM 0 HG22 ILE A2119 8.150 3.697 4.738 1.00 0.24 H new ATOM 0 HG23 ILE A2119 7.024 2.778 3.712 1.00 0.24 H new ATOM 0 HD11 ILE A2119 5.068 3.877 0.643 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.723 2.835 1.929 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.509 4.077 2.321 1.00 0.20 H new ATOM 1105 N PHE A2120 6.547 6.919 5.913 1.00 0.17 N ATOM 1106 CA PHE A2120 7.130 7.488 7.105 1.00 0.19 C ATOM 1107 C PHE A2120 6.089 7.677 8.207 1.00 0.20 C ATOM 1108 O PHE A2120 6.401 7.583 9.393 1.00 0.26 O ATOM 1109 CB PHE A2120 7.779 8.811 6.735 1.00 0.19 C ATOM 1110 CG PHE A2120 9.022 8.609 5.927 1.00 0.24 C ATOM 1111 CD1 PHE A2120 10.053 7.843 6.435 1.00 0.31 C ATOM 1112 CD2 PHE A2120 9.153 9.154 4.661 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.194 7.620 5.702 1.00 0.37 C ATOM 1114 CE2 PHE A2120 10.298 8.938 3.920 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.322 8.169 4.441 1.00 0.38 C ATOM 0 H PHE A2120 6.197 7.610 5.250 1.00 0.17 H new ATOM 0 HA PHE A2120 7.880 6.804 7.501 1.00 0.19 H new ATOM 0 HB2 PHE A2120 7.072 9.418 6.170 1.00 0.19 H new ATOM 0 HB3 PHE A2120 8.020 9.365 7.642 1.00 0.19 H new ATOM 0 HD1 PHE A2120 9.961 7.413 7.422 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.354 9.753 4.250 1.00 0.27 H new ATOM 0 HE1 PHE A2120 11.990 7.016 6.112 1.00 0.37 H new ATOM 0 HE2 PHE A2120 10.394 9.369 2.934 1.00 0.34 H new ATOM 0 HZ PHE A2120 12.219 7.998 3.864 1.00 0.38 H new ATOM 1125 N ASP A2121 4.852 7.937 7.806 1.00 0.17 N ATOM 1126 CA ASP A2121 3.768 8.189 8.753 1.00 0.22 C ATOM 1127 C ASP A2121 3.134 6.880 9.221 1.00 0.20 C ATOM 1128 O ASP A2121 2.718 6.752 10.370 1.00 0.29 O ATOM 1129 CB ASP A2121 2.705 9.079 8.107 1.00 0.29 C ATOM 1130 CG ASP A2121 1.847 9.796 9.130 1.00 0.74 C ATOM 1131 OD1 ASP A2121 0.723 9.325 9.403 1.00 1.34 O ATOM 1132 OD2 ASP A2121 2.297 10.819 9.685 1.00 0.88 O ATOM 0 H ASP A2121 4.571 7.980 6.826 1.00 0.17 H new ATOM 0 HA ASP A2121 4.186 8.697 9.622 1.00 0.22 H new ATOM 0 HB2 ASP A2121 3.192 9.815 7.467 1.00 0.29 H new ATOM 0 HB3 ASP A2121 2.067 8.471 7.466 1.00 0.29 H new ATOM 1137 N HIS A2122 3.077 5.913 8.315 1.00 0.14 N ATOM 1138 CA HIS A2122 2.514 4.595 8.595 1.00 0.14 C ATOM 1139 C HIS A2122 3.465 3.549 8.046 1.00 0.14 C ATOM 1140 O HIS A2122 3.229 2.983 6.978 1.00 0.14 O ATOM 1141 CB HIS A2122 1.148 4.401 7.930 1.00 0.16 C ATOM 1142 CG HIS A2122 0.137 5.455 8.244 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.804 5.328 9.242 1.00 0.34 N ATOM 1144 CD2 HIS A2122 -0.093 6.654 7.661 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.570 6.402 9.261 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -1.159 7.223 8.312 1.00 0.40 N ATOM 0 H HIS A2122 3.421 6.019 7.361 1.00 0.14 H new ATOM 0 HA HIS A2122 2.382 4.501 9.673 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.289 4.364 6.850 1.00 0.16 H new ATOM 0 HB3 HIS A2122 0.748 3.433 8.232 1.00 0.16 H new ATOM 0 HD2 HIS A2122 0.459 7.083 6.838 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -2.393 6.579 9.937 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -1.568 8.133 8.097 1.00 0.40 H new ATOM 1155 N PRO A2123 4.554 3.283 8.753 1.00 0.16 N ATOM 1156 CA PRO A2123 5.613 2.461 8.233 1.00 0.17 C ATOM 1157 C PRO A2123 5.449 0.994 8.585 1.00 0.15 C ATOM 1158 O PRO A2123 5.650 0.596 9.728 1.00 0.19 O ATOM 1159 CB PRO A2123 6.837 3.040 8.950 1.00 0.20 C ATOM 1160 CG PRO A2123 6.317 3.753 10.164 1.00 0.25 C ATOM 1161 CD PRO A2123 4.814 3.710 10.104 1.00 0.20 C ATOM 0 HA PRO A2123 5.660 2.479 7.144 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.532 2.249 9.232 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.380 3.726 8.300 1.00 0.20 H new ATOM 0 HG2 PRO A2123 6.678 3.274 11.074 1.00 0.25 H new ATOM 0 HG3 PRO A2123 6.671 4.784 10.184 1.00 0.25 H new ATOM 0 HD2 PRO A2123 4.401 3.013 10.834 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.374 4.686 10.310 1.00 0.20 H new ATOM 1169 N THR A2124 5.017 0.248 7.577 1.00 0.12 N ATOM 1170 CA THR A2124 5.139 -1.198 7.418 1.00 0.10 C ATOM 1171 C THR A2124 4.219 -1.553 6.264 1.00 0.10 C ATOM 1172 O THR A2124 3.305 -0.769 5.988 1.00 0.11 O ATOM 1173 CB THR A2124 4.778 -2.051 8.657 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.620 -1.540 9.319 1.00 0.13 O ATOM 1175 CG2 THR A2124 5.945 -2.124 9.615 1.00 0.11 C ATOM 0 H THR A2124 4.533 0.671 6.785 1.00 0.12 H new ATOM 0 HA THR A2124 6.190 -1.432 7.248 1.00 0.10 H new ATOM 0 HB THR A2124 4.550 -3.059 8.310 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.414 -2.099 10.097 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.669 -2.729 10.479 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.800 -2.577 9.113 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.209 -1.119 9.945 1.00 0.11 H new ATOM 1183 N PRO A2125 4.394 -2.669 5.551 1.00 0.11 N ATOM 1184 CA PRO A2125 3.394 -3.073 4.572 1.00 0.12 C ATOM 1185 C PRO A2125 2.022 -3.184 5.229 1.00 0.13 C ATOM 1186 O PRO A2125 1.007 -2.803 4.643 1.00 0.14 O ATOM 1187 CB PRO A2125 3.879 -4.431 4.075 1.00 0.12 C ATOM 1188 CG PRO A2125 5.340 -4.446 4.369 1.00 0.12 C ATOM 1189 CD PRO A2125 5.545 -3.585 5.590 1.00 0.11 C ATOM 0 HA PRO A2125 3.284 -2.355 3.759 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.365 -5.245 4.585 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.689 -4.553 3.009 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.688 -5.463 4.550 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.909 -4.060 3.523 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.557 -4.179 6.504 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.491 -3.045 5.548 1.00 0.11 H new ATOM 1197 N HIS A2126 2.009 -3.658 6.477 1.00 0.13 N ATOM 1198 CA HIS A2126 0.774 -3.780 7.236 1.00 0.15 C ATOM 1199 C HIS A2126 0.204 -2.413 7.616 1.00 0.14 C ATOM 1200 O HIS A2126 -0.990 -2.198 7.455 1.00 0.16 O ATOM 1201 CB HIS A2126 1.003 -4.652 8.473 1.00 0.18 C ATOM 1202 CG HIS A2126 -0.142 -4.653 9.439 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -1.322 -5.323 9.205 1.00 0.35 N ATOM 1204 CD2 HIS A2126 -0.292 -4.041 10.635 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -2.148 -5.118 10.210 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -1.547 -4.345 11.093 1.00 0.40 N ATOM 0 H HIS A2126 2.843 -3.962 6.979 1.00 0.13 H new ATOM 0 HA HIS A2126 0.032 -4.264 6.601 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.195 -5.676 8.152 1.00 0.18 H new ATOM 0 HB3 HIS A2126 1.899 -4.306 8.988 1.00 0.18 H new ATOM 0 HD2 HIS A2126 0.441 -3.427 11.136 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -3.148 -5.516 10.296 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -1.951 -4.025 11.974 1.00 0.40 H new ATOM 1215 N ALA A2127 1.043 -1.494 8.105 1.00 0.13 N ATOM 1216 CA ALA A2127 0.570 -0.153 8.489 1.00 0.12 C ATOM 1217 C ALA A2127 -0.147 0.524 7.328 1.00 0.11 C ATOM 1218 O ALA A2127 -1.164 1.194 7.514 1.00 0.11 O ATOM 1219 CB ALA A2127 1.718 0.732 8.974 1.00 0.13 C ATOM 0 H ALA A2127 2.042 -1.648 8.244 1.00 0.13 H new ATOM 0 HA ALA A2127 -0.132 -0.285 9.312 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.330 1.713 9.248 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.190 0.272 9.843 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.454 0.842 8.177 1.00 0.13 H new ATOM 1225 N LEU A2128 0.379 0.344 6.127 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.249 0.891 4.948 1.00 0.11 C ATOM 1227 C LEU A2128 -1.493 0.110 4.569 1.00 0.13 C ATOM 1228 O LEU A2128 -2.465 0.692 4.095 1.00 0.14 O ATOM 1229 CB LEU A2128 0.734 0.915 3.798 1.00 0.11 C ATOM 1230 CG LEU A2128 1.833 1.956 3.930 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.686 1.946 2.685 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.240 3.341 4.179 1.00 0.12 C ATOM 0 H LEU A2128 1.238 -0.177 5.949 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.557 1.912 5.173 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.193 -0.070 3.708 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.187 1.098 2.873 1.00 0.11 H new ATOM 0 HG LEU A2128 2.459 1.709 4.788 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.475 2.692 2.778 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.133 0.960 2.558 1.00 0.12 H new ATOM 0 HD13 LEU A2128 2.067 2.178 1.818 1.00 0.12 H new ATOM 0 HD21 LEU A2128 2.045 4.070 4.270 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.594 3.616 3.345 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.657 3.327 5.100 1.00 0.12 H new ATOM 1244 N THR A2129 -1.479 -1.197 4.810 1.00 0.15 N ATOM 1245 CA THR A2129 -2.648 -2.023 4.550 1.00 0.17 C ATOM 1246 C THR A2129 -3.833 -1.469 5.329 1.00 0.17 C ATOM 1247 O THR A2129 -4.985 -1.567 4.906 1.00 0.20 O ATOM 1248 CB THR A2129 -2.416 -3.499 4.949 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.265 -4.030 4.278 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.627 -4.352 4.607 1.00 0.18 C ATOM 0 H THR A2129 -0.675 -1.703 5.183 1.00 0.15 H new ATOM 0 HA THR A2129 -2.846 -1.997 3.478 1.00 0.17 H new ATOM 0 HB THR A2129 -2.253 -3.525 6.026 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.498 -3.439 4.428 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.438 -5.385 4.898 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.499 -3.978 5.144 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.814 -4.305 3.534 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.519 -0.849 6.457 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.531 -0.241 7.293 1.00 0.18 C ATOM 1260 C GLN A2130 -4.929 1.122 6.734 1.00 0.17 C ATOM 1261 O GLN A2130 -6.115 1.417 6.580 1.00 0.20 O ATOM 1262 CB GLN A2130 -4.033 -0.071 8.733 1.00 0.22 C ATOM 1263 CG GLN A2130 -3.025 -1.118 9.182 1.00 0.28 C ATOM 1264 CD GLN A2130 -2.688 -0.999 10.652 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -1.758 -0.288 11.031 1.00 1.66 O ATOM 1266 NE2 GLN A2130 -3.440 -1.696 11.487 1.00 1.13 N ATOM 0 H GLN A2130 -2.567 -0.756 6.811 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.397 -0.903 7.299 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.581 0.916 8.833 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -4.890 -0.099 9.406 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -3.424 -2.112 8.983 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -2.113 -1.017 8.593 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -4.201 -2.273 11.128 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -3.259 -1.657 12.490 1.00 1.13 H new ATOM 1275 N HIS A2131 -3.929 1.948 6.419 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.178 3.308 5.947 1.00 0.18 C ATOM 1277 C HIS A2131 -4.968 3.312 4.643 1.00 0.18 C ATOM 1278 O HIS A2131 -5.994 3.978 4.544 1.00 0.19 O ATOM 1279 CB HIS A2131 -2.865 4.073 5.769 1.00 0.23 C ATOM 1280 CG HIS A2131 -3.055 5.486 5.299 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -3.668 6.458 6.057 1.00 0.32 N ATOM 1282 CD2 HIS A2131 -2.732 6.077 4.125 1.00 0.27 C ATOM 1283 CE1 HIS A2131 -3.718 7.585 5.371 1.00 0.35 C ATOM 1284 NE2 HIS A2131 -3.153 7.383 4.196 1.00 0.31 N ATOM 0 H HIS A2131 -2.942 1.698 6.483 1.00 0.16 H new ATOM 0 HA HIS A2131 -4.776 3.810 6.707 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.328 4.083 6.717 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.238 3.541 5.053 1.00 0.23 H new ATOM 0 HD2 HIS A2131 -2.236 5.609 3.288 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -4.148 8.514 5.714 1.00 0.35 H new ATOM 0 HE2 HIS A2131 -3.046 8.082 3.461 1.00 0.31 H new ATOM 1293 N LEU A2132 -4.483 2.585 3.645 1.00 0.19 N ATOM 1294 CA LEU A2132 -5.178 2.492 2.367 1.00 0.21 C ATOM 1295 C LEU A2132 -6.596 1.973 2.552 1.00 0.21 C ATOM 1296 O LEU A2132 -7.528 2.465 1.920 1.00 0.26 O ATOM 1297 CB LEU A2132 -4.415 1.596 1.384 1.00 0.26 C ATOM 1298 CG LEU A2132 -3.186 2.235 0.732 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -3.510 3.638 0.287 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -2.003 2.259 1.677 1.00 0.64 C ATOM 0 H LEU A2132 -3.614 2.053 3.695 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.227 3.498 1.950 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -4.099 0.695 1.910 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -5.101 1.282 0.597 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.915 1.629 -0.132 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -2.630 4.085 -0.176 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -4.326 3.611 -0.435 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -3.809 4.234 1.150 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -1.149 2.720 1.180 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -2.259 2.835 2.566 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -1.748 1.240 1.966 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.762 1.011 3.451 1.00 0.20 N ATOM 1313 CA HIS A2133 -8.069 0.430 3.701 1.00 0.21 C ATOM 1314 C HIS A2133 -8.985 1.477 4.301 1.00 0.21 C ATOM 1315 O HIS A2133 -10.177 1.521 4.008 1.00 0.27 O ATOM 1316 CB HIS A2133 -7.956 -0.776 4.638 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.261 -1.478 4.857 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.692 -1.896 6.093 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -10.241 -1.810 3.987 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -10.880 -2.453 5.977 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -11.242 -2.414 4.706 1.00 0.31 N ATOM 0 H HIS A2133 -6.008 0.620 4.016 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.487 0.086 2.755 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -7.236 -1.482 4.225 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.563 -0.445 5.599 1.00 0.21 H new ATOM 0 HD1 HIS A2133 -9.173 -1.791 6.965 1.00 0.27 H new ATOM 0 HD2 HIS A2133 -10.237 -1.633 2.922 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.461 -2.872 6.785 1.00 0.30 H new ATOM 1330 N THR A2134 -8.410 2.330 5.126 1.00 0.18 N ATOM 1331 CA THR A2134 -9.156 3.398 5.749 1.00 0.22 C ATOM 1332 C THR A2134 -9.547 4.455 4.719 1.00 0.26 C ATOM 1333 O THR A2134 -10.667 4.950 4.720 1.00 0.34 O ATOM 1334 CB THR A2134 -8.351 4.052 6.884 1.00 0.26 C ATOM 1335 OG1 THR A2134 -7.882 3.045 7.793 1.00 0.27 O ATOM 1336 CG2 THR A2134 -9.201 5.064 7.638 1.00 0.36 C ATOM 0 H THR A2134 -7.422 2.301 5.380 1.00 0.18 H new ATOM 0 HA THR A2134 -10.060 2.962 6.173 1.00 0.22 H new ATOM 0 HB THR A2134 -7.500 4.572 6.444 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.100 2.596 7.409 1.00 0.27 H new ATOM 0 HG21 THR A2134 -8.610 5.513 8.436 1.00 0.36 H new ATOM 0 HG22 THR A2134 -9.535 5.842 6.952 1.00 0.36 H new ATOM 0 HG23 THR A2134 -10.068 4.563 8.067 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.629 4.762 3.810 1.00 0.27 N ATOM 1345 CA ARG A2135 -8.852 5.788 2.807 1.00 0.32 C ATOM 1346 C ARG A2135 -10.006 5.397 1.885 1.00 0.40 C ATOM 1347 O ARG A2135 -10.766 6.246 1.419 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.573 5.988 1.996 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.426 6.539 2.815 1.00 0.28 C ATOM 1350 CD ARG A2135 -6.709 7.959 3.262 1.00 0.33 C ATOM 1351 NE ARG A2135 -6.246 8.953 2.293 1.00 0.85 N ATOM 1352 CZ ARG A2135 -6.344 10.270 2.478 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -6.885 10.750 3.590 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -5.892 11.110 1.555 1.00 1.64 N ATOM 0 H ARG A2135 -7.717 4.309 3.750 1.00 0.27 H new ATOM 0 HA ARG A2135 -9.116 6.721 3.305 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -7.274 5.035 1.560 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -7.778 6.667 1.168 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -6.260 5.906 3.687 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.510 6.516 2.225 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -7.781 8.081 3.419 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -6.224 8.138 4.222 1.00 0.33 H new ATOM 0 HE ARG A2135 -5.824 8.619 1.426 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -7.228 10.111 4.307 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -6.958 11.758 3.728 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -5.468 10.749 0.701 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -5.969 12.117 1.700 1.00 1.64 H new ATOM 1368 N LEU A2136 -10.127 4.100 1.640 1.00 0.41 N ATOM 1369 CA LEU A2136 -11.135 3.563 0.753 1.00 0.51 C ATOM 1370 C LEU A2136 -12.490 3.434 1.439 1.00 0.58 C ATOM 1371 O LEU A2136 -13.529 3.454 0.780 1.00 0.85 O ATOM 1372 CB LEU A2136 -10.668 2.196 0.262 1.00 0.54 C ATOM 1373 CG LEU A2136 -9.355 2.225 -0.512 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -8.824 0.826 -0.735 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -9.544 2.942 -1.831 1.00 0.75 C ATOM 0 H LEU A2136 -9.523 3.391 2.056 1.00 0.41 H new ATOM 0 HA LEU A2136 -11.264 4.250 -0.083 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -10.556 1.533 1.120 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -11.442 1.767 -0.374 1.00 0.54 H new ATOM 0 HG LEU A2136 -8.619 2.769 0.080 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -7.887 0.877 -1.289 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -8.651 0.345 0.228 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -9.551 0.247 -1.304 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -8.600 2.957 -2.376 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -10.297 2.422 -2.423 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -9.872 3.965 -1.645 1.00 0.75 H new ATOM 1387 N THR A2137 -12.478 3.300 2.756 1.00 0.43 N ATOM 1388 CA THR A2137 -13.697 3.070 3.504 1.00 0.47 C ATOM 1389 C THR A2137 -14.256 4.363 4.091 1.00 0.54 C ATOM 1390 O THR A2137 -15.438 4.443 4.428 1.00 0.68 O ATOM 1391 CB THR A2137 -13.443 2.055 4.627 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.330 2.471 5.428 1.00 0.39 O ATOM 1393 CG2 THR A2137 -13.165 0.676 4.050 1.00 0.42 C ATOM 0 H THR A2137 -11.634 3.347 3.327 1.00 0.43 H new ATOM 0 HA THR A2137 -14.438 2.672 2.811 1.00 0.47 H new ATOM 0 HB THR A2137 -14.337 2.005 5.249 1.00 0.43 H new ATOM 0 HG1 THR A2137 -11.503 2.096 5.059 1.00 0.39 H new ATOM 0 HG21 THR A2137 -12.987 -0.029 4.862 1.00 0.42 H new ATOM 0 HG22 THR A2137 -14.023 0.347 3.465 1.00 0.42 H new ATOM 0 HG23 THR A2137 -12.284 0.720 3.409 1.00 0.42 H new ATOM 1401 N GLN A2138 -13.408 5.370 4.209 1.00 0.58 N ATOM 1402 CA GLN A2138 -13.806 6.639 4.778 1.00 0.69 C ATOM 1403 C GLN A2138 -14.468 7.540 3.744 1.00 0.88 C ATOM 1404 O GLN A2138 -14.294 7.349 2.535 1.00 1.05 O ATOM 1405 CB GLN A2138 -12.595 7.337 5.374 1.00 1.02 C ATOM 1406 CG GLN A2138 -12.122 6.730 6.672 1.00 0.66 C ATOM 1407 CD GLN A2138 -11.224 7.664 7.454 1.00 1.28 C ATOM 1408 OE1 GLN A2138 -11.193 7.627 8.685 1.00 1.87 O ATOM 1409 NE2 GLN A2138 -10.491 8.512 6.753 1.00 1.96 N ATOM 0 H GLN A2138 -12.432 5.329 3.915 1.00 0.58 H new ATOM 0 HA GLN A2138 -14.539 6.439 5.560 1.00 0.69 H new ATOM 0 HB2 GLN A2138 -11.779 7.309 4.652 1.00 1.02 H new ATOM 0 HB3 GLN A2138 -12.837 8.386 5.541 1.00 1.02 H new ATOM 0 HG2 GLN A2138 -12.986 6.466 7.282 1.00 0.66 H new ATOM 0 HG3 GLN A2138 -11.585 5.805 6.463 1.00 0.66 H new ATOM 0 HE21 GLN A2138 -10.545 8.512 5.734 1.00 1.96 H new ATOM 0 HE22 GLN A2138 -9.872 9.167 7.231 1.00 1.96 H new ATOM 1418 N SER A2139 -15.230 8.513 4.242 1.00 1.14 N ATOM 1419 CA SER A2139 -15.874 9.521 3.408 1.00 1.51 C ATOM 1420 C SER A2139 -16.743 8.892 2.318 1.00 1.92 C ATOM 1421 O SER A2139 -16.347 8.825 1.155 1.00 2.53 O ATOM 1422 CB SER A2139 -14.822 10.429 2.784 1.00 2.30 C ATOM 1423 OG SER A2139 -13.907 10.903 3.763 1.00 3.10 O ATOM 0 H SER A2139 -15.417 8.623 5.239 1.00 1.14 H new ATOM 0 HA SER A2139 -16.530 10.110 4.048 1.00 1.51 H new ATOM 0 HB2 SER A2139 -14.281 9.885 2.010 1.00 2.30 H new ATOM 0 HB3 SER A2139 -15.309 11.274 2.298 1.00 2.30 H new ATOM 0 HG SER A2139 -13.242 11.482 3.336 1.00 3.10 H new ATOM 1429 N HIS A2140 -17.923 8.426 2.698 1.00 2.46 N ATOM 1430 CA HIS A2140 -18.859 7.854 1.741 1.00 3.43 C ATOM 1431 C HIS A2140 -19.767 8.936 1.174 1.00 3.95 C ATOM 1432 O HIS A2140 -20.889 9.113 1.691 1.00 4.42 O ATOM 1433 CB HIS A2140 -19.695 6.744 2.378 1.00 4.34 C ATOM 1434 CG HIS A2140 -18.941 5.472 2.606 1.00 5.24 C ATOM 1435 ND1 HIS A2140 -19.243 4.583 3.614 1.00 6.03 N ATOM 1436 CD2 HIS A2140 -17.913 4.925 1.924 1.00 5.82 C ATOM 1437 CE1 HIS A2140 -18.433 3.545 3.538 1.00 6.90 C ATOM 1438 NE2 HIS A2140 -17.616 3.726 2.520 1.00 6.81 N ATOM 1439 OXT HIS A2140 -19.346 9.620 0.218 1.00 4.31 O ATOM 0 H HIS A2140 -18.256 8.432 3.662 1.00 2.46 H new ATOM 0 HA HIS A2140 -18.279 7.416 0.928 1.00 3.43 H new ATOM 0 HB2 HIS A2140 -20.086 7.099 3.331 1.00 4.34 H new ATOM 0 HB3 HIS A2140 -20.553 6.537 1.739 1.00 4.34 H new ATOM 0 HD2 HIS A2140 -17.415 5.353 1.066 1.00 5.82 H new ATOM 0 HE1 HIS A2140 -18.438 2.691 4.199 1.00 6.90 H new ATOM 0 HE2 HIS A2140 -16.884 3.081 2.224 1.00 6.81 H new TER 1448 HIS A2140