USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=26 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: A2059 GLN : amide:sc= 1.04 K(o=-0.08,f=-1.7) USER MOD Set 1.2: A2133 HIS : no HE2:sc= -1.12 K(o=-0.08,f=-0.68) USER MOD Single : A2047 SER OG : rot 180:sc= 0 USER MOD Single : A2048 HIS :FLIP no HD1:sc= 0 F(o=-0.79,f=0) USER MOD Single : A2049 MET CE :methyl 171:sc= 0 (180deg=-0.0333) USER MOD Single : A2052 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.019) USER MOD Single : A2055 SER OG : rot 180:sc= 0 USER MOD Single : A2057 GLN :FLIP amide:sc= -0.0158 F(o=-1.1!,f=-0.016) USER MOD Single : A2058 GLN : amide:sc= -0.0905 K(o=-0.091,f=-0.71) USER MOD Single : A2060 GLN : amide:sc= -0.793 K(o=-0.79,f=-4.6!) USER MOD Single : A2061 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A2062 THR OG1 : rot 92:sc= 1.25 USER MOD Single : A2065 THR OG1 : rot 75:sc= 0.912 USER MOD Single : A2071 THR OG1 : rot 180:sc= -0.659 USER MOD Single : A2073 THR OG1 : rot 79:sc= 0.727 USER MOD Single : A2077 HIS : no HE2:sc= -4.41 K(o=-4.4,f=-9.4!) USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2079 THR OG1 : rot -167:sc= -0.151 USER MOD Single : A2082 SER OG : rot -49:sc= 0.269 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+ 180:sc= 0 (180deg=0) USER MOD Single : A2096 SER OG : rot 180:sc= 0 USER MOD Single : A2098 THR OG1 : rot 180:sc= 0.647 USER MOD Single : A2104 ASN : amide:sc= -0.33 K(o=-0.33,f=-4.4!) USER MOD Single : A2105 THR OG1 : rot 75:sc= 0.535 USER MOD Single : A2107 THR OG1 : rot -56:sc= 0.566 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= 0.818 K(o=0.82,f=-0.29) USER MOD Single : A2110 THR OG1 : rot -84:sc= 0.564 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.646 USER MOD Single : A2122 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.53) USER MOD Single : A2124 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2129 THR OG1 : rot 38:sc= 0.857 USER MOD Single : A2130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2131 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.021) USER MOD Single : A2134 THR OG1 : rot 71:sc= 1.19 USER MOD Single : A2137 THR OG1 : rot -7:sc= 0.997 USER MOD Single : A2138 GLN : amide:sc= -0.21 K(o=-0.21,f=-0.79) USER MOD Single : A2139 SER OG : rot 180:sc= 0.00116 USER MOD Single : A2140 HIS : no HD1:sc= -0.0399 X(o=-0.04,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A2046 -14.621 4.247 -13.315 1.00 6.15 N ATOM 2 CA GLY A2046 -14.014 5.330 -12.505 1.00 5.60 C ATOM 3 C GLY A2046 -12.634 4.958 -12.015 1.00 5.08 C ATOM 4 O GLY A2046 -12.374 3.796 -11.707 1.00 5.26 O ATOM 0 HA2 GLY A2046 -13.955 6.240 -13.101 1.00 5.60 H new ATOM 0 HA3 GLY A2046 -14.656 5.549 -11.652 1.00 5.60 H new ATOM 10 N SER A2047 -11.751 5.942 -11.936 1.00 4.85 N ATOM 11 CA SER A2047 -10.370 5.705 -11.541 1.00 4.75 C ATOM 12 C SER A2047 -10.242 5.588 -10.021 1.00 3.83 C ATOM 13 O SER A2047 -9.653 6.447 -9.363 1.00 4.09 O ATOM 14 CB SER A2047 -9.486 6.835 -12.069 1.00 5.58 C ATOM 15 OG SER A2047 -9.663 6.998 -13.467 1.00 6.22 O ATOM 0 H SER A2047 -11.968 6.917 -12.141 1.00 4.85 H new ATOM 0 HA SER A2047 -10.042 4.760 -11.973 1.00 4.75 H new ATOM 0 HB2 SER A2047 -9.730 7.765 -11.556 1.00 5.58 H new ATOM 0 HB3 SER A2047 -8.440 6.617 -11.853 1.00 5.58 H new ATOM 0 HG SER A2047 -9.091 7.727 -13.786 1.00 6.22 H new ATOM 21 N HIS A2048 -10.821 4.528 -9.473 1.00 3.01 N ATOM 22 CA HIS A2048 -10.720 4.237 -8.050 1.00 2.15 C ATOM 23 C HIS A2048 -10.723 2.740 -7.810 1.00 1.40 C ATOM 24 O HIS A2048 -11.067 1.949 -8.688 1.00 1.44 O ATOM 25 CB HIS A2048 -11.863 4.873 -7.246 1.00 2.19 C ATOM 26 CG HIS A2048 -11.678 6.323 -6.943 1.00 2.49 C ATOM 27 ND1 HIS A2048 -11.050 6.924 -5.916 1.00 3.16 N flip ATOM 28 CD2 HIS A2048 -12.192 7.334 -7.724 1.00 2.35 C flip ATOM 29 CE1 HIS A2048 -11.191 8.280 -6.085 1.00 3.33 C flip ATOM 30 NE2 HIS A2048 -11.884 8.497 -7.188 1.00 2.84 N flip ATOM 0 H HIS A2048 -11.371 3.849 -9.999 1.00 3.01 H new ATOM 0 HA HIS A2048 -9.779 4.668 -7.709 1.00 2.15 H new ATOM 0 HB2 HIS A2048 -12.793 4.747 -7.800 1.00 2.19 H new ATOM 0 HB3 HIS A2048 -11.975 4.331 -6.307 1.00 2.19 H new ATOM 0 HD2 HIS A2048 -12.758 7.195 -8.633 1.00 2.35 H new ATOM 0 HE1 HIS A2048 -10.800 9.041 -5.426 1.00 3.33 H new ATOM 0 HE2 HIS A2048 -12.138 9.411 -7.562 1.00 2.84 H new ATOM 39 N MET A2049 -10.362 2.379 -6.596 1.00 1.08 N ATOM 40 CA MET A2049 -10.270 0.996 -6.151 1.00 0.80 C ATOM 41 C MET A2049 -11.641 0.421 -5.802 1.00 1.56 C ATOM 42 O MET A2049 -11.806 -0.140 -4.724 1.00 2.18 O ATOM 43 CB MET A2049 -9.301 0.853 -4.987 1.00 0.83 C ATOM 44 CG MET A2049 -8.688 -0.534 -4.894 1.00 1.02 C ATOM 45 SD MET A2049 -7.277 -0.617 -3.777 1.00 1.09 S ATOM 46 CE MET A2049 -6.854 -2.351 -3.913 1.00 0.85 C ATOM 0 H MET A2049 -10.118 3.053 -5.870 1.00 1.08 H new ATOM 0 HA MET A2049 -9.877 0.415 -6.985 1.00 0.80 H new ATOM 0 HB2 MET A2049 -8.505 1.590 -5.091 1.00 0.83 H new ATOM 0 HB3 MET A2049 -9.823 1.077 -4.057 1.00 0.83 H new ATOM 0 HG2 MET A2049 -9.449 -1.238 -4.559 1.00 1.02 H new ATOM 0 HG3 MET A2049 -8.375 -0.852 -5.888 1.00 1.02 H new ATOM 0 HE1 MET A2049 -5.905 -2.535 -3.409 1.00 0.85 H new ATOM 0 HE2 MET A2049 -7.635 -2.953 -3.449 1.00 0.85 H new ATOM 0 HE3 MET A2049 -6.764 -2.622 -4.965 1.00 0.85 H new ATOM 56 N ARG A2050 -12.630 0.775 -6.637 1.00 2.19 N ATOM 57 CA ARG A2050 -14.045 0.288 -6.631 1.00 3.02 C ATOM 58 C ARG A2050 -14.280 -1.180 -6.151 1.00 2.45 C ATOM 59 O ARG A2050 -15.386 -1.698 -6.283 1.00 3.04 O ATOM 60 CB ARG A2050 -14.595 0.456 -8.053 1.00 4.17 C ATOM 61 CG ARG A2050 -16.084 0.276 -8.194 1.00 5.10 C ATOM 62 CD ARG A2050 -16.799 1.478 -7.660 1.00 6.03 C ATOM 63 NE ARG A2050 -18.247 1.382 -7.823 1.00 7.06 N ATOM 64 CZ ARG A2050 -19.052 2.433 -7.961 1.00 8.09 C ATOM 65 NH1 ARG A2050 -18.556 3.664 -7.914 1.00 8.33 N ATOM 66 NH2 ARG A2050 -20.356 2.252 -8.130 1.00 9.04 N ATOM 0 H ARG A2050 -12.468 1.449 -7.385 1.00 2.19 H new ATOM 0 HA ARG A2050 -14.566 0.890 -5.887 1.00 3.02 H new ATOM 0 HB2 ARG A2050 -14.331 1.451 -8.412 1.00 4.17 H new ATOM 0 HB3 ARG A2050 -14.096 -0.261 -8.705 1.00 4.17 H new ATOM 0 HG2 ARG A2050 -16.342 0.125 -9.242 1.00 5.10 H new ATOM 0 HG3 ARG A2050 -16.403 -0.616 -7.655 1.00 5.10 H new ATOM 0 HD2 ARG A2050 -16.562 1.598 -6.603 1.00 6.03 H new ATOM 0 HD3 ARG A2050 -16.437 2.370 -8.171 1.00 6.03 H new ATOM 0 HE ARG A2050 -18.667 0.453 -7.832 1.00 7.06 H new ATOM 0 HH11 ARG A2050 -17.556 3.806 -7.772 1.00 8.33 H new ATOM 0 HH12 ARG A2050 -19.175 4.468 -8.020 1.00 8.33 H new ATOM 0 HH21 ARG A2050 -20.741 1.308 -8.154 1.00 9.04 H new ATOM 0 HH22 ARG A2050 -20.973 3.057 -8.236 1.00 9.04 H new ATOM 80 N LEU A2051 -13.233 -1.840 -5.681 1.00 1.40 N ATOM 81 CA LEU A2051 -13.256 -3.163 -5.026 1.00 1.14 C ATOM 82 C LEU A2051 -14.273 -3.266 -3.851 1.00 1.01 C ATOM 83 O LEU A2051 -13.999 -3.893 -2.828 1.00 1.07 O ATOM 84 CB LEU A2051 -11.826 -3.412 -4.505 1.00 1.24 C ATOM 85 CG LEU A2051 -11.566 -4.721 -3.760 1.00 1.66 C ATOM 86 CD1 LEU A2051 -11.522 -5.896 -4.725 1.00 2.23 C ATOM 87 CD2 LEU A2051 -10.271 -4.621 -2.963 1.00 2.25 C ATOM 0 H LEU A2051 -12.289 -1.458 -5.744 1.00 1.40 H new ATOM 0 HA LEU A2051 -13.580 -3.910 -5.751 1.00 1.14 H new ATOM 0 HB2 LEU A2051 -11.145 -3.368 -5.355 1.00 1.24 H new ATOM 0 HB3 LEU A2051 -11.561 -2.589 -3.842 1.00 1.24 H new ATOM 0 HG LEU A2051 -12.388 -4.895 -3.065 1.00 1.66 H new ATOM 0 HD11 LEU A2051 -11.336 -6.816 -4.170 1.00 2.23 H new ATOM 0 HD12 LEU A2051 -12.476 -5.974 -5.247 1.00 2.23 H new ATOM 0 HD13 LEU A2051 -10.723 -5.742 -5.450 1.00 2.23 H new ATOM 0 HD21 LEU A2051 -10.095 -5.559 -2.436 1.00 2.25 H new ATOM 0 HD22 LEU A2051 -9.441 -4.424 -3.641 1.00 2.25 H new ATOM 0 HD23 LEU A2051 -10.350 -3.808 -2.241 1.00 2.25 H new ATOM 99 N ASN A2052 -15.442 -2.671 -3.995 1.00 1.58 N ATOM 100 CA ASN A2052 -16.470 -2.744 -2.970 1.00 1.99 C ATOM 101 C ASN A2052 -17.281 -4.018 -3.165 1.00 1.93 C ATOM 102 O ASN A2052 -17.414 -4.507 -4.288 1.00 2.08 O ATOM 103 CB ASN A2052 -17.379 -1.511 -3.031 1.00 2.83 C ATOM 104 CG ASN A2052 -18.305 -1.406 -1.833 1.00 3.47 C ATOM 105 OD1 ASN A2052 -17.945 -0.832 -0.808 1.00 3.92 O ATOM 106 ND2 ASN A2052 -19.505 -1.950 -1.954 1.00 4.07 N ATOM 0 H ASN A2052 -15.706 -2.128 -4.817 1.00 1.58 H new ATOM 0 HA ASN A2052 -15.999 -2.764 -1.987 1.00 1.99 H new ATOM 0 HB2 ASN A2052 -16.763 -0.613 -3.089 1.00 2.83 H new ATOM 0 HB3 ASN A2052 -17.975 -1.548 -3.943 1.00 2.83 H new ATOM 0 HD21 ASN A2052 -20.168 -1.901 -1.180 1.00 4.07 H new ATOM 0 HD22 ASN A2052 -19.768 -2.418 -2.821 1.00 4.07 H new ATOM 113 N GLY A2053 -17.811 -4.556 -2.080 1.00 1.86 N ATOM 114 CA GLY A2053 -18.511 -5.820 -2.147 1.00 1.88 C ATOM 115 C GLY A2053 -17.728 -6.914 -1.461 1.00 1.57 C ATOM 116 O GLY A2053 -18.301 -7.866 -0.929 1.00 1.67 O ATOM 0 H GLY A2053 -17.769 -4.138 -1.150 1.00 1.86 H new ATOM 0 HA2 GLY A2053 -19.490 -5.722 -1.679 1.00 1.88 H new ATOM 0 HA3 GLY A2053 -18.681 -6.090 -3.189 1.00 1.88 H new ATOM 120 N LEU A2054 -16.410 -6.782 -1.481 1.00 1.24 N ATOM 121 CA LEU A2054 -15.543 -7.675 -0.739 1.00 1.05 C ATOM 122 C LEU A2054 -15.561 -7.295 0.730 1.00 0.93 C ATOM 123 O LEU A2054 -15.642 -6.112 1.071 1.00 0.98 O ATOM 124 CB LEU A2054 -14.099 -7.612 -1.260 1.00 0.96 C ATOM 125 CG LEU A2054 -13.841 -8.249 -2.631 1.00 1.10 C ATOM 126 CD1 LEU A2054 -14.296 -9.695 -2.632 1.00 1.60 C ATOM 127 CD2 LEU A2054 -14.526 -7.466 -3.743 1.00 1.50 C ATOM 0 H LEU A2054 -15.919 -6.060 -2.007 1.00 1.24 H new ATOM 0 HA LEU A2054 -15.912 -8.692 -0.870 1.00 1.05 H new ATOM 0 HB2 LEU A2054 -13.798 -6.565 -1.307 1.00 0.96 H new ATOM 0 HB3 LEU A2054 -13.451 -8.097 -0.530 1.00 0.96 H new ATOM 0 HG LEU A2054 -12.768 -8.221 -2.822 1.00 1.10 H new ATOM 0 HD11 LEU A2054 -14.107 -10.135 -3.611 1.00 1.60 H new ATOM 0 HD12 LEU A2054 -13.746 -10.250 -1.872 1.00 1.60 H new ATOM 0 HD13 LEU A2054 -15.363 -9.741 -2.413 1.00 1.60 H new ATOM 0 HD21 LEU A2054 -14.324 -7.943 -4.702 1.00 1.50 H new ATOM 0 HD22 LEU A2054 -15.601 -7.448 -3.566 1.00 1.50 H new ATOM 0 HD23 LEU A2054 -14.144 -6.445 -3.758 1.00 1.50 H new ATOM 139 N SER A2055 -15.499 -8.296 1.590 1.00 0.85 N ATOM 140 CA SER A2055 -15.433 -8.069 3.020 1.00 0.80 C ATOM 141 C SER A2055 -14.174 -7.285 3.358 1.00 0.67 C ATOM 142 O SER A2055 -13.154 -7.439 2.684 1.00 0.61 O ATOM 143 CB SER A2055 -15.453 -9.406 3.757 1.00 0.83 C ATOM 144 OG SER A2055 -16.587 -10.170 3.373 1.00 1.18 O ATOM 0 H SER A2055 -15.493 -9.279 1.319 1.00 0.85 H new ATOM 0 HA SER A2055 -16.299 -7.487 3.337 1.00 0.80 H new ATOM 0 HB2 SER A2055 -14.542 -9.962 3.538 1.00 0.83 H new ATOM 0 HB3 SER A2055 -15.471 -9.234 4.833 1.00 0.83 H new ATOM 0 HG SER A2055 -16.584 -11.024 3.853 1.00 1.18 H new ATOM 150 N PRO A2056 -14.248 -6.407 4.370 1.00 0.67 N ATOM 151 CA PRO A2056 -13.143 -5.549 4.779 1.00 0.61 C ATOM 152 C PRO A2056 -11.780 -6.231 4.715 1.00 0.54 C ATOM 153 O PRO A2056 -10.861 -5.714 4.083 1.00 0.50 O ATOM 154 CB PRO A2056 -13.481 -5.173 6.222 1.00 0.71 C ATOM 155 CG PRO A2056 -14.860 -5.679 6.486 1.00 0.86 C ATOM 156 CD PRO A2056 -15.436 -6.148 5.182 1.00 0.81 C ATOM 0 HA PRO A2056 -13.050 -4.695 4.108 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -12.767 -5.617 6.915 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -13.432 -4.093 6.362 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -14.835 -6.495 7.208 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -15.480 -4.892 6.916 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -16.042 -7.045 5.308 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -16.077 -5.392 4.729 1.00 0.81 H new ATOM 164 N GLN A2057 -11.663 -7.396 5.341 1.00 0.58 N ATOM 165 CA GLN A2057 -10.401 -8.119 5.391 1.00 0.60 C ATOM 166 C GLN A2057 -9.956 -8.551 3.994 1.00 0.57 C ATOM 167 O GLN A2057 -8.773 -8.467 3.666 1.00 0.57 O ATOM 168 CB GLN A2057 -10.536 -9.341 6.296 1.00 0.71 C ATOM 169 CG GLN A2057 -9.239 -10.100 6.493 1.00 0.83 C ATOM 170 CD GLN A2057 -9.414 -11.353 7.329 1.00 1.19 C ATOM 171 OE1 GLN A2057 -10.571 -11.987 7.219 1.00 1.63 O flip ATOM 172 NE2 GLN A2057 -8.506 -11.757 8.058 1.00 1.95 N flip ATOM 0 H GLN A2057 -12.432 -7.861 5.823 1.00 0.58 H new ATOM 0 HA GLN A2057 -9.642 -7.450 5.797 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -10.911 -9.022 7.268 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -11.280 -10.015 5.872 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -8.831 -10.372 5.520 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -8.510 -9.447 6.973 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -7.629 -11.239 8.115 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -8.632 -12.609 8.604 1.00 1.95 H new ATOM 181 N GLN A2058 -10.907 -9.007 3.179 1.00 0.59 N ATOM 182 CA GLN A2058 -10.619 -9.367 1.793 1.00 0.64 C ATOM 183 C GLN A2058 -9.996 -8.181 1.080 1.00 0.57 C ATOM 184 O GLN A2058 -8.967 -8.309 0.415 1.00 0.59 O ATOM 185 CB GLN A2058 -11.890 -9.792 1.052 1.00 0.75 C ATOM 186 CG GLN A2058 -12.554 -11.031 1.625 1.00 0.83 C ATOM 187 CD GLN A2058 -11.688 -12.270 1.503 1.00 0.99 C ATOM 188 OE1 GLN A2058 -10.898 -12.405 0.566 1.00 1.44 O ATOM 189 NE2 GLN A2058 -11.830 -13.184 2.449 1.00 1.60 N ATOM 0 H GLN A2058 -11.881 -9.135 3.455 1.00 0.59 H new ATOM 0 HA GLN A2058 -9.927 -10.209 1.798 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -12.603 -8.968 1.073 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -11.644 -9.975 0.006 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -12.789 -10.859 2.675 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -13.500 -11.202 1.111 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -12.495 -13.034 3.208 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -11.274 -14.039 2.420 1.00 1.60 H new ATOM 198 N GLN A2059 -10.622 -7.022 1.245 1.00 0.54 N ATOM 199 CA GLN A2059 -10.114 -5.788 0.671 1.00 0.52 C ATOM 200 C GLN A2059 -8.723 -5.487 1.195 1.00 0.47 C ATOM 201 O GLN A2059 -7.836 -5.111 0.432 1.00 0.49 O ATOM 202 CB GLN A2059 -11.035 -4.618 0.995 1.00 0.57 C ATOM 203 CG GLN A2059 -12.377 -4.685 0.314 1.00 0.72 C ATOM 204 CD GLN A2059 -13.233 -3.500 0.676 1.00 1.02 C ATOM 205 OE1 GLN A2059 -13.156 -2.974 1.790 1.00 1.50 O ATOM 206 NE2 GLN A2059 -14.023 -3.048 -0.270 1.00 1.19 N ATOM 0 H GLN A2059 -11.487 -6.914 1.775 1.00 0.54 H new ATOM 0 HA GLN A2059 -10.072 -5.920 -0.410 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -11.188 -4.578 2.073 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -10.540 -3.690 0.709 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.238 -4.719 -0.767 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -12.887 -5.605 0.599 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -14.053 -3.516 -1.176 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -14.606 -2.229 -0.099 1.00 1.19 H new ATOM 215 N GLN A2060 -8.537 -5.661 2.499 1.00 0.44 N ATOM 216 CA GLN A2060 -7.248 -5.403 3.117 1.00 0.42 C ATOM 217 C GLN A2060 -6.184 -6.263 2.493 1.00 0.39 C ATOM 218 O GLN A2060 -5.226 -5.747 1.975 1.00 0.37 O ATOM 219 CB GLN A2060 -7.268 -5.659 4.623 1.00 0.45 C ATOM 220 CG GLN A2060 -8.332 -4.884 5.356 1.00 0.50 C ATOM 221 CD GLN A2060 -8.293 -5.099 6.855 1.00 0.60 C ATOM 222 OE1 GLN A2060 -8.957 -5.987 7.389 1.00 0.78 O ATOM 223 NE2 GLN A2060 -7.514 -4.285 7.544 1.00 0.95 N ATOM 0 H GLN A2060 -9.261 -5.978 3.144 1.00 0.44 H new ATOM 0 HA GLN A2060 -7.026 -4.349 2.950 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.420 -6.724 4.799 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -6.293 -5.403 5.039 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -8.212 -3.822 5.143 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -9.312 -5.176 4.978 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -6.980 -3.562 7.063 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -7.447 -4.380 8.557 1.00 0.95 H new ATOM 232 N GLN A2061 -6.370 -7.569 2.536 1.00 0.41 N ATOM 233 CA GLN A2061 -5.408 -8.496 1.955 1.00 0.42 C ATOM 234 C GLN A2061 -5.147 -8.179 0.488 1.00 0.43 C ATOM 235 O GLN A2061 -4.031 -8.328 -0.001 1.00 0.41 O ATOM 236 CB GLN A2061 -5.917 -9.908 2.102 1.00 0.51 C ATOM 237 CG GLN A2061 -6.013 -10.332 3.549 1.00 0.56 C ATOM 238 CD GLN A2061 -6.665 -11.688 3.732 1.00 0.67 C ATOM 239 OE1 GLN A2061 -7.508 -12.104 2.934 1.00 1.03 O ATOM 240 NE2 GLN A2061 -6.277 -12.385 4.786 1.00 1.32 N ATOM 0 H GLN A2061 -7.179 -8.016 2.967 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.463 -8.391 2.488 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -6.899 -9.989 1.636 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -5.254 -10.589 1.569 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -5.013 -10.356 3.981 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.582 -9.585 4.103 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -5.576 -12.002 5.421 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -6.678 -13.306 4.965 1.00 1.32 H new ATOM 249 N THR A2062 -6.187 -7.748 -0.200 1.00 0.49 N ATOM 250 CA THR A2062 -6.060 -7.265 -1.568 1.00 0.55 C ATOM 251 C THR A2062 -5.052 -6.118 -1.658 1.00 0.49 C ATOM 252 O THR A2062 -4.095 -6.172 -2.433 1.00 0.48 O ATOM 253 CB THR A2062 -7.407 -6.770 -2.107 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.367 -7.837 -2.090 1.00 0.73 O ATOM 255 CG2 THR A2062 -7.247 -6.239 -3.524 1.00 0.77 C ATOM 0 H THR A2062 -7.138 -7.721 0.167 1.00 0.49 H new ATOM 0 HA THR A2062 -5.712 -8.106 -2.168 1.00 0.55 H new ATOM 0 HB THR A2062 -7.762 -5.962 -1.467 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.857 -7.823 -1.241 1.00 0.73 H new ATOM 0 HG21 THR A2062 -8.212 -5.891 -3.893 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.538 -5.411 -3.524 1.00 0.77 H new ATOM 0 HG23 THR A2062 -6.876 -7.034 -4.171 1.00 0.77 H new ATOM 263 N LEU A2063 -5.259 -5.093 -0.842 1.00 0.50 N ATOM 264 CA LEU A2063 -4.426 -3.912 -0.872 1.00 0.53 C ATOM 265 C LEU A2063 -3.127 -4.186 -0.131 1.00 0.44 C ATOM 266 O LEU A2063 -2.128 -3.496 -0.295 1.00 0.47 O ATOM 267 CB LEU A2063 -5.191 -2.737 -0.264 1.00 0.69 C ATOM 268 CG LEU A2063 -5.684 -2.913 1.166 1.00 0.64 C ATOM 269 CD1 LEU A2063 -4.646 -2.433 2.158 1.00 1.32 C ATOM 270 CD2 LEU A2063 -6.999 -2.177 1.360 1.00 1.22 C ATOM 0 H LEU A2063 -6.005 -5.062 -0.147 1.00 0.50 H new ATOM 0 HA LEU A2063 -4.174 -3.653 -1.900 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -4.548 -1.858 -0.297 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -6.052 -2.526 -0.898 1.00 0.69 H new ATOM 0 HG LEU A2063 -5.851 -3.975 1.347 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -5.022 -2.569 3.172 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -3.728 -3.007 2.031 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -4.440 -1.377 1.986 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -7.342 -2.310 2.386 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -6.855 -1.115 1.160 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -7.745 -2.577 0.673 1.00 1.22 H new ATOM 282 N ALA A2064 -3.176 -5.229 0.667 1.00 0.39 N ATOM 283 CA ALA A2064 -2.033 -5.738 1.390 1.00 0.38 C ATOM 284 C ALA A2064 -1.051 -6.313 0.387 1.00 0.37 C ATOM 285 O ALA A2064 0.151 -6.048 0.427 1.00 0.51 O ATOM 286 CB ALA A2064 -2.492 -6.809 2.370 1.00 0.38 C ATOM 0 H ALA A2064 -4.031 -5.759 0.835 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.548 -4.942 1.955 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.632 -7.195 2.917 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -3.205 -6.378 3.073 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -2.969 -7.622 1.823 1.00 0.38 H new ATOM 292 N THR A2065 -1.608 -7.093 -0.528 1.00 0.28 N ATOM 293 CA THR A2065 -0.882 -7.626 -1.660 1.00 0.28 C ATOM 294 C THR A2065 -0.423 -6.496 -2.580 1.00 0.27 C ATOM 295 O THR A2065 0.666 -6.552 -3.141 1.00 0.25 O ATOM 296 CB THR A2065 -1.779 -8.607 -2.436 1.00 0.36 C ATOM 297 OG1 THR A2065 -2.146 -9.700 -1.586 1.00 0.40 O ATOM 298 CG2 THR A2065 -1.083 -9.139 -3.680 1.00 0.41 C ATOM 0 H THR A2065 -2.588 -7.374 -0.500 1.00 0.28 H new ATOM 0 HA THR A2065 -0.001 -8.155 -1.296 1.00 0.28 H new ATOM 0 HB THR A2065 -2.670 -8.067 -2.754 1.00 0.36 H new ATOM 0 HG1 THR A2065 -2.820 -9.401 -0.941 1.00 0.40 H new ATOM 0 HG21 THR A2065 -1.747 -9.828 -4.202 1.00 0.41 H new ATOM 0 HG22 THR A2065 -0.831 -8.308 -4.339 1.00 0.41 H new ATOM 0 HG23 THR A2065 -0.171 -9.662 -3.391 1.00 0.41 H new ATOM 306 N LEU A2066 -1.258 -5.467 -2.710 1.00 0.29 N ATOM 307 CA LEU A2066 -0.930 -4.291 -3.504 1.00 0.28 C ATOM 308 C LEU A2066 0.337 -3.654 -2.949 1.00 0.23 C ATOM 309 O LEU A2066 1.338 -3.512 -3.648 1.00 0.22 O ATOM 310 CB LEU A2066 -2.086 -3.294 -3.421 1.00 0.32 C ATOM 311 CG LEU A2066 -2.179 -2.220 -4.510 1.00 0.57 C ATOM 312 CD1 LEU A2066 -2.712 -0.937 -3.902 1.00 0.92 C ATOM 313 CD2 LEU A2066 -0.850 -1.963 -5.210 1.00 1.35 C ATOM 0 H LEU A2066 -2.177 -5.427 -2.269 1.00 0.29 H new ATOM 0 HA LEU A2066 -0.769 -4.575 -4.544 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -3.018 -3.859 -3.427 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -2.025 -2.790 -2.457 1.00 0.32 H new ATOM 0 HG LEU A2066 -2.862 -2.588 -5.276 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -2.780 -0.170 -4.673 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -3.701 -1.117 -3.481 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -2.038 -0.601 -3.114 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -0.982 -1.193 -5.970 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -0.113 -1.630 -4.480 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -0.504 -2.882 -5.682 1.00 1.35 H new ATOM 325 N VAL A2067 0.272 -3.292 -1.677 1.00 0.21 N ATOM 326 CA VAL A2067 1.383 -2.659 -0.990 1.00 0.18 C ATOM 327 C VAL A2067 2.642 -3.510 -1.090 1.00 0.16 C ATOM 328 O VAL A2067 3.734 -3.013 -1.380 1.00 0.17 O ATOM 329 CB VAL A2067 1.041 -2.429 0.497 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.266 -1.986 1.277 1.00 0.20 C ATOM 331 CG2 VAL A2067 -0.076 -1.406 0.641 1.00 0.22 C ATOM 0 H VAL A2067 -0.553 -3.430 -1.093 1.00 0.21 H new ATOM 0 HA VAL A2067 1.565 -1.699 -1.472 1.00 0.18 H new ATOM 0 HB VAL A2067 0.698 -3.378 0.910 1.00 0.19 H new ATOM 0 HG11 VAL A2067 1.996 -1.831 2.322 1.00 0.20 H new ATOM 0 HG12 VAL A2067 3.037 -2.754 1.211 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.646 -1.054 0.859 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.301 -1.259 1.697 1.00 0.22 H new ATOM 0 HG22 VAL A2067 0.239 -0.459 0.202 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -0.967 -1.766 0.127 1.00 0.22 H new ATOM 341 N ALA A2068 2.470 -4.795 -0.860 1.00 0.15 N ATOM 342 CA ALA A2068 3.565 -5.737 -0.900 1.00 0.15 C ATOM 343 C ALA A2068 4.154 -5.841 -2.308 1.00 0.14 C ATOM 344 O ALA A2068 5.371 -5.800 -2.482 1.00 0.13 O ATOM 345 CB ALA A2068 3.074 -7.081 -0.397 1.00 0.17 C ATOM 0 H ALA A2068 1.566 -5.214 -0.640 1.00 0.15 H new ATOM 0 HA ALA A2068 4.369 -5.388 -0.252 1.00 0.15 H new ATOM 0 HB1 ALA A2068 3.893 -7.800 -0.423 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.714 -6.977 0.627 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.262 -7.433 -1.033 1.00 0.17 H new ATOM 351 N ALA A2069 3.284 -5.958 -3.307 1.00 0.17 N ATOM 352 CA ALA A2069 3.698 -6.018 -4.703 1.00 0.18 C ATOM 353 C ALA A2069 4.411 -4.738 -5.108 1.00 0.19 C ATOM 354 O ALA A2069 5.333 -4.751 -5.928 1.00 0.21 O ATOM 355 CB ALA A2069 2.493 -6.243 -5.608 1.00 0.23 C ATOM 0 H ALA A2069 2.275 -6.014 -3.171 1.00 0.17 H new ATOM 0 HA ALA A2069 4.387 -6.855 -4.814 1.00 0.18 H new ATOM 0 HB1 ALA A2069 2.821 -6.285 -6.647 1.00 0.23 H new ATOM 0 HB2 ALA A2069 2.009 -7.183 -5.342 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.786 -5.423 -5.484 1.00 0.23 H new ATOM 361 N ALA A2070 3.974 -3.635 -4.516 1.00 0.19 N ATOM 362 CA ALA A2070 4.539 -2.334 -4.795 1.00 0.21 C ATOM 363 C ALA A2070 6.000 -2.290 -4.382 1.00 0.20 C ATOM 364 O ALA A2070 6.851 -1.826 -5.139 1.00 0.23 O ATOM 365 CB ALA A2070 3.748 -1.252 -4.078 1.00 0.24 C ATOM 0 H ALA A2070 3.219 -3.623 -3.831 1.00 0.19 H new ATOM 0 HA ALA A2070 4.481 -2.152 -5.868 1.00 0.21 H new ATOM 0 HB1 ALA A2070 4.184 -0.277 -4.297 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.713 -1.271 -4.419 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.779 -1.430 -3.003 1.00 0.24 H new ATOM 371 N THR A2071 6.304 -2.803 -3.196 1.00 0.18 N ATOM 372 CA THR A2071 7.662 -2.723 -2.699 1.00 0.21 C ATOM 373 C THR A2071 8.483 -3.922 -3.162 1.00 0.21 C ATOM 374 O THR A2071 9.693 -3.834 -3.298 1.00 0.27 O ATOM 375 CB THR A2071 7.711 -2.525 -1.176 1.00 0.22 C ATOM 376 OG1 THR A2071 9.040 -2.256 -0.744 1.00 0.28 O ATOM 377 CG2 THR A2071 7.172 -3.721 -0.436 1.00 0.23 C ATOM 0 H THR A2071 5.641 -3.268 -2.576 1.00 0.18 H new ATOM 0 HA THR A2071 8.121 -1.833 -3.129 1.00 0.21 H new ATOM 0 HB THR A2071 7.076 -1.669 -0.947 1.00 0.22 H new ATOM 0 HG1 THR A2071 9.049 -2.132 0.228 1.00 0.28 H new ATOM 0 HG21 THR A2071 7.225 -3.539 0.637 1.00 0.23 H new ATOM 0 HG22 THR A2071 6.135 -3.890 -0.725 1.00 0.23 H new ATOM 0 HG23 THR A2071 7.766 -4.601 -0.685 1.00 0.23 H new ATOM 385 N ALA A2072 7.812 -5.024 -3.455 1.00 0.18 N ATOM 386 CA ALA A2072 8.431 -6.127 -4.187 1.00 0.22 C ATOM 387 C ALA A2072 9.122 -5.576 -5.424 1.00 0.26 C ATOM 388 O ALA A2072 10.277 -5.897 -5.709 1.00 0.31 O ATOM 389 CB ALA A2072 7.350 -7.122 -4.588 1.00 0.22 C ATOM 0 H ALA A2072 6.838 -5.183 -3.199 1.00 0.18 H new ATOM 0 HA ALA A2072 9.168 -6.631 -3.562 1.00 0.22 H new ATOM 0 HB1 ALA A2072 7.802 -7.949 -5.135 1.00 0.22 H new ATOM 0 HB2 ALA A2072 6.858 -7.504 -3.694 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.616 -6.626 -5.222 1.00 0.22 H new ATOM 395 N THR A2073 8.405 -4.714 -6.124 1.00 0.27 N ATOM 396 CA THR A2073 8.926 -4.033 -7.286 1.00 0.34 C ATOM 397 C THR A2073 9.943 -2.962 -6.883 1.00 0.37 C ATOM 398 O THR A2073 11.061 -2.925 -7.397 1.00 0.43 O ATOM 399 CB THR A2073 7.774 -3.381 -8.067 1.00 0.38 C ATOM 400 OG1 THR A2073 6.794 -4.373 -8.406 1.00 0.40 O ATOM 401 CG2 THR A2073 8.288 -2.706 -9.322 1.00 0.46 C ATOM 0 H THR A2073 7.441 -4.469 -5.897 1.00 0.27 H new ATOM 0 HA THR A2073 9.428 -4.767 -7.916 1.00 0.34 H new ATOM 0 HB THR A2073 7.314 -2.621 -7.436 1.00 0.38 H new ATOM 0 HG1 THR A2073 6.234 -4.560 -7.624 1.00 0.40 H new ATOM 0 HG21 THR A2073 7.455 -2.252 -9.858 1.00 0.46 H new ATOM 0 HG22 THR A2073 9.009 -1.935 -9.051 1.00 0.46 H new ATOM 0 HG23 THR A2073 8.771 -3.445 -9.961 1.00 0.46 H new ATOM 409 N VAL A2074 9.546 -2.109 -5.944 1.00 0.36 N ATOM 410 CA VAL A2074 10.344 -0.984 -5.505 1.00 0.41 C ATOM 411 C VAL A2074 11.729 -1.392 -4.972 1.00 0.47 C ATOM 412 O VAL A2074 12.729 -0.748 -5.295 1.00 0.56 O ATOM 413 CB VAL A2074 9.536 -0.201 -4.454 1.00 0.38 C ATOM 414 CG1 VAL A2074 10.273 -0.035 -3.139 1.00 0.38 C ATOM 415 CG2 VAL A2074 9.093 1.133 -5.001 1.00 0.37 C ATOM 0 H VAL A2074 8.649 -2.186 -5.465 1.00 0.36 H new ATOM 0 HA VAL A2074 10.553 -0.350 -6.367 1.00 0.41 H new ATOM 0 HB VAL A2074 8.652 -0.799 -4.234 1.00 0.38 H new ATOM 0 HG11 VAL A2074 9.650 0.525 -2.441 1.00 0.38 H new ATOM 0 HG12 VAL A2074 10.495 -1.016 -2.720 1.00 0.38 H new ATOM 0 HG13 VAL A2074 11.204 0.506 -3.309 1.00 0.38 H new ATOM 0 HG21 VAL A2074 8.524 1.667 -4.240 1.00 0.37 H new ATOM 0 HG22 VAL A2074 9.968 1.721 -5.280 1.00 0.37 H new ATOM 0 HG23 VAL A2074 8.467 0.976 -5.879 1.00 0.37 H new ATOM 425 N LEU A2075 11.798 -2.460 -4.175 1.00 0.43 N ATOM 426 CA LEU A2075 13.065 -2.900 -3.607 1.00 0.52 C ATOM 427 C LEU A2075 13.885 -3.642 -4.655 1.00 0.60 C ATOM 428 O LEU A2075 15.087 -3.859 -4.492 1.00 0.74 O ATOM 429 CB LEU A2075 12.816 -3.813 -2.407 1.00 0.49 C ATOM 430 CG LEU A2075 11.721 -3.344 -1.448 1.00 0.44 C ATOM 431 CD1 LEU A2075 11.389 -4.426 -0.438 1.00 0.46 C ATOM 432 CD2 LEU A2075 12.111 -2.058 -0.741 1.00 0.52 C ATOM 0 H LEU A2075 10.994 -3.030 -3.912 1.00 0.43 H new ATOM 0 HA LEU A2075 13.620 -2.022 -3.278 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.555 -4.806 -2.774 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.747 -3.914 -1.849 1.00 0.49 H new ATOM 0 HG LEU A2075 10.831 -3.140 -2.043 1.00 0.44 H new ATOM 0 HD11 LEU A2075 10.608 -4.070 0.233 1.00 0.46 H new ATOM 0 HD12 LEU A2075 11.040 -5.317 -0.960 1.00 0.46 H new ATOM 0 HD13 LEU A2075 12.280 -4.670 0.140 1.00 0.46 H new ATOM 0 HD21 LEU A2075 11.309 -1.755 -0.068 1.00 0.52 H new ATOM 0 HD22 LEU A2075 13.024 -2.220 -0.168 1.00 0.52 H new ATOM 0 HD23 LEU A2075 12.281 -1.274 -1.479 1.00 0.52 H new ATOM 444 N GLY A2076 13.217 -4.030 -5.732 1.00 0.57 N ATOM 445 CA GLY A2076 13.888 -4.704 -6.820 1.00 0.67 C ATOM 446 C GLY A2076 14.036 -6.193 -6.590 1.00 0.65 C ATOM 447 O GLY A2076 15.038 -6.782 -6.987 1.00 0.93 O ATOM 0 H GLY A2076 12.216 -3.888 -5.870 1.00 0.57 H new ATOM 0 HA2 GLY A2076 13.331 -4.538 -7.742 1.00 0.67 H new ATOM 0 HA3 GLY A2076 14.875 -4.263 -6.960 1.00 0.67 H new ATOM 451 N HIS A2077 13.046 -6.817 -5.956 1.00 0.51 N ATOM 452 CA HIS A2077 13.142 -8.246 -5.675 1.00 0.66 C ATOM 453 C HIS A2077 12.005 -9.032 -6.314 1.00 0.68 C ATOM 454 O HIS A2077 12.072 -10.255 -6.413 1.00 0.97 O ATOM 455 CB HIS A2077 13.227 -8.530 -4.165 1.00 0.81 C ATOM 456 CG HIS A2077 11.989 -8.309 -3.362 1.00 0.50 C ATOM 457 ND1 HIS A2077 10.917 -9.166 -3.368 1.00 0.54 N ATOM 458 CD2 HIS A2077 11.703 -7.358 -2.452 1.00 0.74 C ATOM 459 CE1 HIS A2077 10.027 -8.753 -2.494 1.00 0.61 C ATOM 460 NE2 HIS A2077 10.480 -7.652 -1.919 1.00 0.80 N ATOM 0 H HIS A2077 12.188 -6.369 -5.634 1.00 0.51 H new ATOM 0 HA HIS A2077 14.072 -8.588 -6.129 1.00 0.66 H new ATOM 0 HB2 HIS A2077 13.536 -9.567 -4.032 1.00 0.81 H new ATOM 0 HB3 HIS A2077 14.017 -7.906 -3.747 1.00 0.81 H new ATOM 0 HD1 HIS A2077 10.826 -9.993 -3.958 1.00 0.54 H new ATOM 0 HD2 HIS A2077 12.327 -6.516 -2.191 1.00 0.74 H new ATOM 0 HE1 HIS A2077 9.083 -9.233 -2.281 1.00 0.61 H new ATOM 469 N HIS A2078 10.973 -8.313 -6.748 1.00 0.62 N ATOM 470 CA HIS A2078 9.805 -8.904 -7.406 1.00 0.69 C ATOM 471 C HIS A2078 9.002 -9.812 -6.470 1.00 0.80 C ATOM 472 O HIS A2078 9.510 -10.286 -5.458 1.00 1.56 O ATOM 473 CB HIS A2078 10.202 -9.663 -8.675 1.00 0.81 C ATOM 474 CG HIS A2078 10.745 -8.780 -9.755 1.00 0.88 C ATOM 475 ND1 HIS A2078 9.960 -7.921 -10.493 1.00 0.93 N ATOM 476 CD2 HIS A2078 12.008 -8.611 -10.211 1.00 0.96 C ATOM 477 CE1 HIS A2078 10.714 -7.265 -11.353 1.00 1.03 C ATOM 478 NE2 HIS A2078 11.961 -7.666 -11.202 1.00 1.05 N ATOM 0 H HIS A2078 10.921 -7.299 -6.654 1.00 0.62 H new ATOM 0 HA HIS A2078 9.159 -8.072 -7.687 1.00 0.69 H new ATOM 0 HB2 HIS A2078 10.950 -10.414 -8.420 1.00 0.81 H new ATOM 0 HB3 HIS A2078 9.332 -10.197 -9.057 1.00 0.81 H new ATOM 0 HD2 HIS A2078 12.890 -9.126 -9.859 1.00 0.96 H new ATOM 0 HE1 HIS A2078 10.369 -6.525 -12.060 1.00 1.03 H new ATOM 0 HE2 HIS A2078 12.761 -7.327 -11.736 1.00 1.05 H new ATOM 487 N THR A2079 7.757 -10.052 -6.876 1.00 0.64 N ATOM 488 CA THR A2079 6.695 -10.716 -6.096 1.00 0.67 C ATOM 489 C THR A2079 6.583 -10.268 -4.629 1.00 0.44 C ATOM 490 O THR A2079 7.560 -10.111 -3.895 1.00 0.54 O ATOM 491 CB THR A2079 6.682 -12.266 -6.157 1.00 1.02 C ATOM 492 OG1 THR A2079 5.599 -12.811 -5.387 1.00 1.82 O ATOM 493 CG2 THR A2079 7.957 -12.843 -5.635 1.00 0.59 C ATOM 0 H THR A2079 7.437 -9.777 -7.805 1.00 0.64 H new ATOM 0 HA THR A2079 5.813 -10.360 -6.629 1.00 0.67 H new ATOM 0 HB THR A2079 6.559 -12.531 -7.207 1.00 1.02 H new ATOM 0 HG1 THR A2079 5.733 -13.775 -5.270 1.00 1.82 H new ATOM 0 HG21 THR A2079 7.914 -13.931 -5.692 1.00 0.59 H new ATOM 0 HG22 THR A2079 8.792 -12.481 -6.234 1.00 0.59 H new ATOM 0 HG23 THR A2079 8.096 -12.539 -4.597 1.00 0.59 H new ATOM 501 N PRO A2080 5.341 -10.109 -4.185 1.00 0.29 N ATOM 502 CA PRO A2080 4.987 -9.662 -2.843 1.00 0.32 C ATOM 503 C PRO A2080 4.998 -10.806 -1.843 1.00 0.45 C ATOM 504 O PRO A2080 4.782 -10.614 -0.648 1.00 0.51 O ATOM 505 CB PRO A2080 3.552 -9.145 -3.008 1.00 0.39 C ATOM 506 CG PRO A2080 3.187 -9.381 -4.435 1.00 0.39 C ATOM 507 CD PRO A2080 4.154 -10.389 -4.964 1.00 0.32 C ATOM 0 HA PRO A2080 5.690 -8.921 -2.464 1.00 0.32 H new ATOM 0 HB2 PRO A2080 2.870 -9.670 -2.340 1.00 0.39 H new ATOM 0 HB3 PRO A2080 3.489 -8.085 -2.760 1.00 0.39 H new ATOM 0 HG2 PRO A2080 2.163 -9.746 -4.517 1.00 0.39 H new ATOM 0 HG3 PRO A2080 3.242 -8.455 -5.007 1.00 0.39 H new ATOM 0 HD2 PRO A2080 3.801 -11.409 -4.816 1.00 0.32 H new ATOM 0 HD3 PRO A2080 4.329 -10.264 -6.033 1.00 0.32 H new ATOM 515 N GLU A2081 5.269 -11.997 -2.347 1.00 0.53 N ATOM 516 CA GLU A2081 5.194 -13.210 -1.553 1.00 0.64 C ATOM 517 C GLU A2081 6.321 -13.270 -0.528 1.00 0.56 C ATOM 518 O GLU A2081 6.344 -14.141 0.341 1.00 0.70 O ATOM 519 CB GLU A2081 5.253 -14.419 -2.480 1.00 0.84 C ATOM 520 CG GLU A2081 6.649 -14.782 -2.945 1.00 0.93 C ATOM 521 CD GLU A2081 6.622 -15.892 -3.964 1.00 1.28 C ATOM 522 OE1 GLU A2081 6.021 -15.704 -5.041 1.00 1.54 O ATOM 523 OE2 GLU A2081 7.227 -16.949 -3.697 1.00 1.45 O ATOM 0 H GLU A2081 5.547 -12.150 -3.316 1.00 0.53 H new ATOM 0 HA GLU A2081 4.252 -13.214 -1.005 1.00 0.64 H new ATOM 0 HB2 GLU A2081 4.819 -15.277 -1.967 1.00 0.84 H new ATOM 0 HB3 GLU A2081 4.631 -14.223 -3.354 1.00 0.84 H new ATOM 0 HG2 GLU A2081 7.130 -13.904 -3.375 1.00 0.93 H new ATOM 0 HG3 GLU A2081 7.251 -15.087 -2.089 1.00 0.93 H new ATOM 530 N SER A2082 7.248 -12.333 -0.631 1.00 0.43 N ATOM 531 CA SER A2082 8.395 -12.297 0.255 1.00 0.43 C ATOM 532 C SER A2082 8.380 -11.016 1.088 1.00 0.33 C ATOM 533 O SER A2082 9.370 -10.655 1.719 1.00 0.38 O ATOM 534 CB SER A2082 9.679 -12.391 -0.565 1.00 0.54 C ATOM 535 OG SER A2082 10.804 -12.659 0.255 1.00 0.63 O ATOM 0 H SER A2082 7.227 -11.584 -1.323 1.00 0.43 H new ATOM 0 HA SER A2082 8.350 -13.146 0.936 1.00 0.43 H new ATOM 0 HB2 SER A2082 9.577 -13.178 -1.312 1.00 0.54 H new ATOM 0 HB3 SER A2082 9.836 -11.457 -1.105 1.00 0.54 H new ATOM 0 HG SER A2082 10.808 -12.042 1.017 1.00 0.63 H new ATOM 541 N ILE A2083 7.242 -10.336 1.090 1.00 0.25 N ATOM 542 CA ILE A2083 7.110 -9.076 1.806 1.00 0.17 C ATOM 543 C ILE A2083 6.650 -9.319 3.234 1.00 0.15 C ATOM 544 O ILE A2083 5.587 -9.894 3.466 1.00 0.22 O ATOM 545 CB ILE A2083 6.114 -8.134 1.099 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.523 -7.943 -0.357 1.00 0.18 C ATOM 547 CG2 ILE A2083 6.043 -6.783 1.804 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.815 -7.190 -0.519 1.00 0.22 C ATOM 0 H ILE A2083 6.397 -10.636 0.604 1.00 0.25 H new ATOM 0 HA ILE A2083 8.091 -8.601 1.818 1.00 0.17 H new ATOM 0 HB ILE A2083 5.125 -8.590 1.139 1.00 0.13 H new ATOM 0 HG12 ILE A2083 6.618 -8.920 -0.831 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.731 -7.409 -0.882 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.334 -6.139 1.285 1.00 0.12 H new ATOM 0 HG22 ILE A2083 5.716 -6.927 2.834 1.00 0.12 H new ATOM 0 HG23 ILE A2083 7.028 -6.317 1.798 1.00 0.12 H new ATOM 0 HD11 ILE A2083 8.047 -7.090 -1.579 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.717 -6.200 -0.073 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.618 -7.734 -0.022 1.00 0.22 H new ATOM 560 N SER A2084 7.464 -8.896 4.184 1.00 0.14 N ATOM 561 CA SER A2084 7.145 -9.050 5.591 1.00 0.14 C ATOM 562 C SER A2084 6.366 -7.836 6.091 1.00 0.12 C ATOM 563 O SER A2084 6.926 -6.748 6.215 1.00 0.12 O ATOM 564 CB SER A2084 8.437 -9.209 6.391 1.00 0.19 C ATOM 565 OG SER A2084 9.286 -10.177 5.791 1.00 0.28 O ATOM 0 H SER A2084 8.358 -8.439 4.004 1.00 0.14 H new ATOM 0 HA SER A2084 6.527 -9.938 5.723 1.00 0.14 H new ATOM 0 HB2 SER A2084 8.954 -8.251 6.449 1.00 0.19 H new ATOM 0 HB3 SER A2084 8.203 -9.507 7.413 1.00 0.19 H new ATOM 0 HG SER A2084 10.108 -10.262 6.318 1.00 0.28 H new ATOM 571 N PRO A2085 5.063 -8.001 6.384 1.00 0.12 N ATOM 572 CA PRO A2085 4.208 -6.896 6.823 1.00 0.12 C ATOM 573 C PRO A2085 4.614 -6.352 8.175 1.00 0.12 C ATOM 574 O PRO A2085 4.368 -5.186 8.488 1.00 0.13 O ATOM 575 CB PRO A2085 2.812 -7.506 6.913 1.00 0.15 C ATOM 576 CG PRO A2085 3.023 -8.979 6.997 1.00 0.15 C ATOM 577 CD PRO A2085 4.325 -9.273 6.304 1.00 0.14 C ATOM 0 HA PRO A2085 4.274 -6.055 6.132 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.278 -7.136 7.788 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.213 -7.245 6.040 1.00 0.15 H new ATOM 0 HG2 PRO A2085 3.056 -9.306 8.036 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.202 -9.515 6.520 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.866 -10.081 6.796 1.00 0.14 H new ATOM 0 HD3 PRO A2085 4.167 -9.579 5.270 1.00 0.14 H new ATOM 585 N ALA A2086 5.223 -7.207 8.972 1.00 0.11 N ATOM 586 CA ALA A2086 5.643 -6.825 10.304 1.00 0.12 C ATOM 587 C ALA A2086 6.917 -5.995 10.267 1.00 0.11 C ATOM 588 O ALA A2086 7.136 -5.141 11.127 1.00 0.14 O ATOM 589 CB ALA A2086 5.849 -8.057 11.160 1.00 0.14 C ATOM 0 H ALA A2086 5.438 -8.172 8.720 1.00 0.11 H new ATOM 0 HA ALA A2086 4.855 -6.212 10.741 1.00 0.12 H new ATOM 0 HB1 ALA A2086 6.165 -7.757 12.159 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.915 -8.614 11.227 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.616 -8.688 10.711 1.00 0.14 H new ATOM 595 N THR A2087 7.758 -6.250 9.276 1.00 0.10 N ATOM 596 CA THR A2087 8.963 -5.473 9.101 1.00 0.11 C ATOM 597 C THR A2087 8.614 -4.129 8.514 1.00 0.10 C ATOM 598 O THR A2087 7.694 -4.003 7.707 1.00 0.10 O ATOM 599 CB THR A2087 9.965 -6.157 8.164 1.00 0.14 C ATOM 600 OG1 THR A2087 10.256 -7.482 8.627 1.00 0.16 O ATOM 601 CG2 THR A2087 11.256 -5.350 8.044 1.00 0.16 C ATOM 0 H THR A2087 7.624 -6.988 8.585 1.00 0.10 H new ATOM 0 HA THR A2087 9.423 -5.370 10.084 1.00 0.11 H new ATOM 0 HB THR A2087 9.509 -6.215 7.176 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.896 -7.908 8.019 1.00 0.16 H new ATOM 0 HG21 THR A2087 11.945 -5.863 7.373 1.00 0.16 H new ATOM 0 HG22 THR A2087 11.031 -4.360 7.646 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.715 -5.250 9.027 1.00 0.16 H new ATOM 609 N ALA A2088 9.359 -3.143 8.915 1.00 0.12 N ATOM 610 CA ALA A2088 9.148 -1.799 8.443 1.00 0.12 C ATOM 611 C ALA A2088 9.817 -1.620 7.104 1.00 0.11 C ATOM 612 O ALA A2088 10.875 -2.196 6.853 1.00 0.12 O ATOM 613 CB ALA A2088 9.662 -0.786 9.445 1.00 0.15 C ATOM 0 H ALA A2088 10.129 -3.242 9.576 1.00 0.12 H new ATOM 0 HA ALA A2088 8.077 -1.631 8.327 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.491 0.221 9.065 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.136 -0.911 10.391 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.730 -0.938 9.601 1.00 0.15 H new ATOM 619 N PHE A2089 9.184 -0.842 6.249 1.00 0.10 N ATOM 620 CA PHE A2089 9.701 -0.577 4.910 1.00 0.09 C ATOM 621 C PHE A2089 11.167 -0.175 4.937 1.00 0.09 C ATOM 622 O PHE A2089 11.936 -0.561 4.058 1.00 0.12 O ATOM 623 CB PHE A2089 8.882 0.513 4.245 1.00 0.09 C ATOM 624 CG PHE A2089 7.578 0.026 3.700 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.544 -0.852 2.634 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.383 0.450 4.255 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.343 -1.297 2.130 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.178 0.007 3.753 1.00 0.12 C ATOM 629 CZ PHE A2089 5.165 -0.886 2.691 1.00 0.10 C ATOM 0 H PHE A2089 8.301 -0.375 6.456 1.00 0.10 H new ATOM 0 HA PHE A2089 9.620 -1.501 4.337 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.692 1.307 4.968 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.465 0.952 3.435 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.469 -1.192 2.192 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.395 1.135 5.090 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.331 -1.973 1.288 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.250 0.353 4.184 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.226 -1.256 2.308 1.00 0.10 H new ATOM 639 N LYS A2090 11.537 0.612 5.935 1.00 0.12 N ATOM 640 CA LYS A2090 12.923 0.951 6.176 1.00 0.16 C ATOM 641 C LYS A2090 13.804 -0.291 6.127 1.00 0.17 C ATOM 642 O LYS A2090 14.654 -0.432 5.247 1.00 0.20 O ATOM 643 CB LYS A2090 13.058 1.597 7.549 1.00 0.21 C ATOM 644 CG LYS A2090 14.493 1.860 7.946 1.00 0.29 C ATOM 645 CD LYS A2090 15.135 2.832 6.993 1.00 0.38 C ATOM 646 CE LYS A2090 16.146 2.144 6.104 1.00 1.54 C ATOM 647 NZ LYS A2090 16.795 3.085 5.154 1.00 1.69 N ATOM 0 H LYS A2090 10.884 1.031 6.597 1.00 0.12 H new ATOM 0 HA LYS A2090 13.245 1.643 5.398 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.508 2.538 7.556 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.594 0.951 8.294 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.529 2.259 8.960 1.00 0.29 H new ATOM 0 HG3 LYS A2090 15.052 0.924 7.952 1.00 0.29 H new ATOM 0 HD2 LYS A2090 14.368 3.302 6.378 1.00 0.38 H new ATOM 0 HD3 LYS A2090 15.624 3.627 7.556 1.00 0.38 H new ATOM 0 HE2 LYS A2090 16.909 1.672 6.723 1.00 1.54 H new ATOM 0 HE3 LYS A2090 15.653 1.349 5.545 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 17.480 2.568 4.566 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 16.072 3.517 4.544 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 17.289 3.830 5.686 1.00 1.69 H new ATOM 661 N ASP A2091 13.583 -1.185 7.080 1.00 0.17 N ATOM 662 CA ASP A2091 14.377 -2.404 7.195 1.00 0.20 C ATOM 663 C ASP A2091 14.251 -3.277 5.944 1.00 0.20 C ATOM 664 O ASP A2091 15.131 -4.083 5.644 1.00 0.32 O ATOM 665 CB ASP A2091 13.966 -3.194 8.440 1.00 0.24 C ATOM 666 CG ASP A2091 14.856 -4.401 8.687 1.00 1.23 C ATOM 667 OD1 ASP A2091 14.370 -5.541 8.552 1.00 2.27 O ATOM 668 OD2 ASP A2091 16.051 -4.220 8.999 1.00 1.15 O ATOM 0 H ASP A2091 12.856 -1.090 7.790 1.00 0.17 H new ATOM 0 HA ASP A2091 15.422 -2.111 7.292 1.00 0.20 H new ATOM 0 HB2 ASP A2091 14.000 -2.538 9.310 1.00 0.24 H new ATOM 0 HB3 ASP A2091 12.933 -3.525 8.331 1.00 0.24 H new ATOM 673 N LEU A2092 13.157 -3.105 5.214 1.00 0.16 N ATOM 674 CA LEU A2092 12.929 -3.849 3.984 1.00 0.18 C ATOM 675 C LEU A2092 13.772 -3.312 2.828 1.00 0.19 C ATOM 676 O LEU A2092 14.034 -4.027 1.861 1.00 0.24 O ATOM 677 CB LEU A2092 11.440 -3.808 3.637 1.00 0.17 C ATOM 678 CG LEU A2092 10.556 -4.523 4.655 1.00 0.19 C ATOM 679 CD1 LEU A2092 9.084 -4.272 4.402 1.00 0.18 C ATOM 680 CD2 LEU A2092 10.842 -6.007 4.627 1.00 0.23 C ATOM 0 H LEU A2092 12.410 -2.453 5.455 1.00 0.16 H new ATOM 0 HA LEU A2092 13.237 -4.882 4.145 1.00 0.18 H new ATOM 0 HB2 LEU A2092 11.122 -2.768 3.559 1.00 0.17 H new ATOM 0 HB3 LEU A2092 11.291 -4.261 2.657 1.00 0.17 H new ATOM 0 HG LEU A2092 10.791 -4.121 5.641 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.491 -4.799 5.149 1.00 0.18 H new ATOM 0 HD12 LEU A2092 8.881 -3.203 4.466 1.00 0.18 H new ATOM 0 HD13 LEU A2092 8.819 -4.633 3.408 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.209 -6.513 5.355 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.635 -6.399 3.631 1.00 0.23 H new ATOM 0 HD23 LEU A2092 11.889 -6.180 4.874 1.00 0.23 H new ATOM 692 N GLY A2093 14.218 -2.067 2.941 1.00 0.16 N ATOM 693 CA GLY A2093 15.097 -1.510 1.930 1.00 0.18 C ATOM 694 C GLY A2093 14.538 -0.274 1.255 1.00 0.15 C ATOM 695 O GLY A2093 15.068 0.169 0.235 1.00 0.20 O ATOM 0 H GLY A2093 13.989 -1.436 3.709 1.00 0.16 H new ATOM 0 HA2 GLY A2093 16.054 -1.262 2.389 1.00 0.18 H new ATOM 0 HA3 GLY A2093 15.294 -2.269 1.173 1.00 0.18 H new ATOM 699 N ILE A2094 13.467 0.279 1.803 1.00 0.13 N ATOM 700 CA ILE A2094 12.862 1.479 1.255 1.00 0.12 C ATOM 701 C ILE A2094 13.719 2.727 1.467 1.00 0.12 C ATOM 702 O ILE A2094 14.187 3.003 2.574 1.00 0.16 O ATOM 703 CB ILE A2094 11.463 1.678 1.865 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.451 0.869 1.060 1.00 0.18 C ATOM 705 CG2 ILE A2094 11.077 3.149 1.936 1.00 0.18 C ATOM 706 CD1 ILE A2094 10.016 1.537 -0.219 1.00 0.32 C ATOM 0 H ILE A2094 12.998 -0.088 2.631 1.00 0.13 H new ATOM 0 HA ILE A2094 12.781 1.339 0.177 1.00 0.12 H new ATOM 0 HB ILE A2094 11.472 1.319 2.894 1.00 0.12 H new ATOM 0 HG12 ILE A2094 10.884 -0.103 0.822 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.573 0.684 1.679 1.00 0.18 H new ATOM 0 HG21 ILE A2094 10.083 3.244 2.373 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.797 3.685 2.554 1.00 0.18 H new ATOM 0 HG23 ILE A2094 11.074 3.573 0.932 1.00 0.18 H new ATOM 0 HD11 ILE A2094 9.297 0.901 -0.735 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.553 2.496 0.011 1.00 0.32 H new ATOM 0 HD13 ILE A2094 10.884 1.697 -0.859 1.00 0.32 H new ATOM 718 N ASP A2095 13.923 3.467 0.380 1.00 0.15 N ATOM 719 CA ASP A2095 14.536 4.788 0.439 1.00 0.19 C ATOM 720 C ASP A2095 13.446 5.840 0.329 1.00 0.16 C ATOM 721 O ASP A2095 12.284 5.492 0.148 1.00 0.17 O ATOM 722 CB ASP A2095 15.548 4.987 -0.694 1.00 0.28 C ATOM 723 CG ASP A2095 16.827 4.203 -0.497 1.00 1.04 C ATOM 724 OD1 ASP A2095 17.772 4.737 0.119 1.00 1.23 O ATOM 725 OD2 ASP A2095 16.884 3.037 -0.938 1.00 1.86 O ATOM 0 H ASP A2095 13.669 3.168 -0.562 1.00 0.15 H new ATOM 0 HA ASP A2095 15.067 4.881 1.386 1.00 0.19 H new ATOM 0 HB2 ASP A2095 15.090 4.691 -1.638 1.00 0.28 H new ATOM 0 HB3 ASP A2095 15.788 6.047 -0.775 1.00 0.28 H new ATOM 730 N SER A2096 13.797 7.112 0.415 1.00 0.19 N ATOM 731 CA SER A2096 12.798 8.169 0.304 1.00 0.20 C ATOM 732 C SER A2096 12.175 8.173 -1.095 1.00 0.17 C ATOM 733 O SER A2096 10.969 8.376 -1.250 1.00 0.20 O ATOM 734 CB SER A2096 13.431 9.524 0.621 1.00 0.26 C ATOM 735 OG SER A2096 14.082 9.487 1.880 1.00 1.32 O ATOM 0 H SER A2096 14.753 7.438 0.559 1.00 0.19 H new ATOM 0 HA SER A2096 12.004 7.981 1.027 1.00 0.20 H new ATOM 0 HB2 SER A2096 14.147 9.788 -0.157 1.00 0.26 H new ATOM 0 HB3 SER A2096 12.664 10.298 0.625 1.00 0.26 H new ATOM 0 HG SER A2096 14.483 10.361 2.067 1.00 1.32 H new ATOM 741 N LEU A2097 13.005 7.914 -2.098 1.00 0.17 N ATOM 742 CA LEU A2097 12.587 7.830 -3.470 1.00 0.19 C ATOM 743 C LEU A2097 11.571 6.732 -3.652 1.00 0.18 C ATOM 744 O LEU A2097 10.480 6.955 -4.159 1.00 0.24 O ATOM 745 CB LEU A2097 13.826 7.518 -4.274 1.00 0.23 C ATOM 746 CG LEU A2097 13.778 7.879 -5.733 1.00 1.07 C ATOM 747 CD1 LEU A2097 13.422 9.345 -5.895 1.00 1.61 C ATOM 748 CD2 LEU A2097 15.126 7.581 -6.341 1.00 1.55 C ATOM 0 H LEU A2097 14.004 7.755 -1.966 1.00 0.17 H new ATOM 0 HA LEU A2097 12.122 8.762 -3.791 1.00 0.19 H new ATOM 0 HB2 LEU A2097 14.669 8.038 -3.820 1.00 0.23 H new ATOM 0 HB3 LEU A2097 14.028 6.450 -4.192 1.00 0.23 H new ATOM 0 HG LEU A2097 13.013 7.294 -6.243 1.00 1.07 H new ATOM 0 HD11 LEU A2097 13.390 9.597 -6.955 1.00 1.61 H new ATOM 0 HD12 LEU A2097 12.446 9.534 -5.447 1.00 1.61 H new ATOM 0 HD13 LEU A2097 14.174 9.959 -5.399 1.00 1.61 H new ATOM 0 HD21 LEU A2097 15.112 7.836 -7.401 1.00 1.55 H new ATOM 0 HD22 LEU A2097 15.891 8.170 -5.836 1.00 1.55 H new ATOM 0 HD23 LEU A2097 15.350 6.521 -6.226 1.00 1.55 H new ATOM 760 N THR A2098 11.931 5.542 -3.233 1.00 0.14 N ATOM 761 CA THR A2098 11.042 4.419 -3.373 1.00 0.15 C ATOM 762 C THR A2098 9.852 4.488 -2.432 1.00 0.16 C ATOM 763 O THR A2098 8.792 3.936 -2.728 1.00 0.17 O ATOM 764 CB THR A2098 11.768 3.092 -3.223 1.00 0.15 C ATOM 765 OG1 THR A2098 12.912 3.247 -2.370 1.00 0.17 O ATOM 766 CG2 THR A2098 12.177 2.602 -4.594 1.00 0.19 C ATOM 0 H THR A2098 12.828 5.329 -2.796 1.00 0.14 H new ATOM 0 HA THR A2098 10.653 4.478 -4.390 1.00 0.15 H new ATOM 0 HB THR A2098 11.108 2.357 -2.763 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.371 2.386 -2.279 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.699 1.650 -4.499 1.00 0.19 H new ATOM 0 HG22 THR A2098 11.289 2.469 -5.213 1.00 0.19 H new ATOM 0 HG23 THR A2098 12.838 3.333 -5.060 1.00 0.19 H new ATOM 774 N ALA A2099 10.019 5.163 -1.305 1.00 0.16 N ATOM 775 CA ALA A2099 8.890 5.464 -0.435 1.00 0.18 C ATOM 776 C ALA A2099 7.883 6.314 -1.195 1.00 0.21 C ATOM 777 O ALA A2099 6.689 6.334 -0.891 1.00 0.24 O ATOM 778 CB ALA A2099 9.354 6.191 0.816 1.00 0.18 C ATOM 0 H ALA A2099 10.918 5.511 -0.972 1.00 0.16 H new ATOM 0 HA ALA A2099 8.420 4.530 -0.127 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.495 6.406 1.452 1.00 0.18 H new ATOM 0 HB2 ALA A2099 10.060 5.564 1.360 1.00 0.18 H new ATOM 0 HB3 ALA A2099 9.840 7.125 0.535 1.00 0.18 H new ATOM 784 N LEU A2100 8.383 6.991 -2.210 1.00 0.20 N ATOM 785 CA LEU A2100 7.574 7.842 -3.041 1.00 0.24 C ATOM 786 C LEU A2100 7.012 7.014 -4.195 1.00 0.20 C ATOM 787 O LEU A2100 5.859 7.184 -4.589 1.00 0.21 O ATOM 788 CB LEU A2100 8.432 9.020 -3.529 1.00 0.30 C ATOM 789 CG LEU A2100 8.328 9.358 -5.010 1.00 0.24 C ATOM 790 CD1 LEU A2100 7.015 10.057 -5.307 1.00 1.03 C ATOM 791 CD2 LEU A2100 9.499 10.206 -5.450 1.00 1.15 C ATOM 0 H LEU A2100 9.367 6.962 -2.478 1.00 0.20 H new ATOM 0 HA LEU A2100 6.731 8.253 -2.486 1.00 0.24 H new ATOM 0 HB2 LEU A2100 8.157 9.905 -2.955 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.475 8.803 -3.299 1.00 0.30 H new ATOM 0 HG LEU A2100 8.354 8.427 -5.576 1.00 0.24 H new ATOM 0 HD11 LEU A2100 6.959 10.290 -6.370 1.00 1.03 H new ATOM 0 HD12 LEU A2100 6.186 9.404 -5.035 1.00 1.03 H new ATOM 0 HD13 LEU A2100 6.955 10.979 -4.729 1.00 1.03 H new ATOM 0 HD21 LEU A2100 9.404 10.435 -6.511 1.00 1.15 H new ATOM 0 HD22 LEU A2100 9.512 11.134 -4.878 1.00 1.15 H new ATOM 0 HD23 LEU A2100 10.427 9.661 -5.278 1.00 1.15 H new ATOM 803 N GLU A2101 7.825 6.092 -4.704 1.00 0.21 N ATOM 804 CA GLU A2101 7.408 5.204 -5.783 1.00 0.20 C ATOM 805 C GLU A2101 6.287 4.280 -5.322 1.00 0.17 C ATOM 806 O GLU A2101 5.368 3.972 -6.086 1.00 0.17 O ATOM 807 CB GLU A2101 8.596 4.386 -6.268 1.00 0.23 C ATOM 808 CG GLU A2101 9.776 5.245 -6.660 1.00 0.28 C ATOM 809 CD GLU A2101 10.847 4.475 -7.407 1.00 0.33 C ATOM 810 OE1 GLU A2101 12.043 4.627 -7.075 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.499 3.700 -8.320 1.00 0.45 O ATOM 0 H GLU A2101 8.781 5.941 -4.384 1.00 0.21 H new ATOM 0 HA GLU A2101 7.032 5.812 -6.606 1.00 0.20 H new ATOM 0 HB2 GLU A2101 8.901 3.695 -5.482 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.291 3.783 -7.123 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.428 6.069 -7.283 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.212 5.685 -5.763 1.00 0.28 H new ATOM 818 N LEU A2102 6.373 3.827 -4.075 1.00 0.16 N ATOM 819 CA LEU A2102 5.286 3.094 -3.456 1.00 0.16 C ATOM 820 C LEU A2102 4.024 3.908 -3.492 1.00 0.16 C ATOM 821 O LEU A2102 3.024 3.500 -4.069 1.00 0.21 O ATOM 822 CB LEU A2102 5.607 2.780 -2.010 1.00 0.22 C ATOM 823 CG LEU A2102 6.644 1.701 -1.793 1.00 0.53 C ATOM 824 CD1 LEU A2102 6.502 1.139 -0.402 1.00 1.09 C ATOM 825 CD2 LEU A2102 6.503 0.613 -2.831 1.00 1.13 C ATOM 0 H LEU A2102 7.188 3.958 -3.476 1.00 0.16 H new ATOM 0 HA LEU A2102 5.152 2.166 -4.013 1.00 0.16 H new ATOM 0 HB2 LEU A2102 5.952 3.694 -1.526 1.00 0.22 H new ATOM 0 HB3 LEU A2102 4.687 2.481 -1.508 1.00 0.22 H new ATOM 0 HG LEU A2102 7.639 2.134 -1.898 1.00 0.53 H new ATOM 0 HD11 LEU A2102 7.250 0.361 -0.246 1.00 1.09 H new ATOM 0 HD12 LEU A2102 6.648 1.935 0.329 1.00 1.09 H new ATOM 0 HD13 LEU A2102 5.506 0.714 -0.281 1.00 1.09 H new ATOM 0 HD21 LEU A2102 7.258 -0.154 -2.659 1.00 1.13 H new ATOM 0 HD22 LEU A2102 5.510 0.168 -2.760 1.00 1.13 H new ATOM 0 HD23 LEU A2102 6.639 1.039 -3.825 1.00 1.13 H new ATOM 837 N ARG A2103 4.099 5.066 -2.863 1.00 0.18 N ATOM 838 CA ARG A2103 3.006 6.016 -2.849 1.00 0.25 C ATOM 839 C ARG A2103 2.450 6.227 -4.251 1.00 0.22 C ATOM 840 O ARG A2103 1.240 6.220 -4.447 1.00 0.24 O ATOM 841 CB ARG A2103 3.497 7.341 -2.262 1.00 0.37 C ATOM 842 CG ARG A2103 2.510 8.482 -2.398 1.00 0.72 C ATOM 843 CD ARG A2103 2.752 9.305 -3.663 1.00 0.65 C ATOM 844 NE ARG A2103 1.760 10.365 -3.830 1.00 1.21 N ATOM 845 CZ ARG A2103 1.466 10.945 -4.994 1.00 1.49 C ATOM 846 NH1 ARG A2103 2.099 10.588 -6.108 1.00 1.92 N ATOM 847 NH2 ARG A2103 0.540 11.895 -5.038 1.00 2.11 N ATOM 0 H ARG A2103 4.923 5.374 -2.346 1.00 0.18 H new ATOM 0 HA ARG A2103 2.201 5.621 -2.230 1.00 0.25 H new ATOM 0 HB2 ARG A2103 3.725 7.196 -1.206 1.00 0.37 H new ATOM 0 HB3 ARG A2103 4.429 7.621 -2.754 1.00 0.37 H new ATOM 0 HG2 ARG A2103 1.496 8.083 -2.414 1.00 0.72 H new ATOM 0 HG3 ARG A2103 2.584 9.130 -1.525 1.00 0.72 H new ATOM 0 HD2 ARG A2103 3.748 9.745 -3.623 1.00 0.65 H new ATOM 0 HD3 ARG A2103 2.729 8.648 -4.532 1.00 0.65 H new ATOM 0 HE ARG A2103 1.259 10.683 -3.000 1.00 1.21 H new ATOM 0 HH11 ARG A2103 2.817 9.864 -6.077 1.00 1.92 H new ATOM 0 HH12 ARG A2103 1.866 11.038 -6.993 1.00 1.92 H new ATOM 0 HH21 ARG A2103 0.058 12.177 -4.185 1.00 2.11 H new ATOM 0 HH22 ARG A2103 0.310 12.343 -5.925 1.00 2.11 H new ATOM 861 N ASN A2104 3.347 6.402 -5.212 1.00 0.21 N ATOM 862 CA ASN A2104 2.978 6.564 -6.608 1.00 0.22 C ATOM 863 C ASN A2104 2.089 5.421 -7.078 1.00 0.23 C ATOM 864 O ASN A2104 0.994 5.642 -7.591 1.00 0.29 O ATOM 865 CB ASN A2104 4.246 6.634 -7.462 1.00 0.23 C ATOM 866 CG ASN A2104 4.855 8.020 -7.498 1.00 0.31 C ATOM 867 OD1 ASN A2104 4.161 9.022 -7.324 1.00 0.40 O ATOM 868 ND2 ASN A2104 6.154 8.085 -7.752 1.00 0.36 N ATOM 0 H ASN A2104 4.352 6.435 -5.043 1.00 0.21 H new ATOM 0 HA ASN A2104 2.413 7.490 -6.715 1.00 0.22 H new ATOM 0 HB2 ASN A2104 4.981 5.930 -7.072 1.00 0.23 H new ATOM 0 HB3 ASN A2104 4.011 6.319 -8.479 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.618 8.992 -7.810 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.690 7.228 -7.889 1.00 0.36 H new ATOM 875 N THR A2105 2.558 4.202 -6.870 1.00 0.21 N ATOM 876 CA THR A2105 1.828 3.016 -7.285 1.00 0.24 C ATOM 877 C THR A2105 0.542 2.839 -6.470 1.00 0.22 C ATOM 878 O THR A2105 -0.521 2.551 -7.020 1.00 0.24 O ATOM 879 CB THR A2105 2.717 1.766 -7.138 1.00 0.28 C ATOM 880 OG1 THR A2105 3.971 1.991 -7.801 1.00 0.33 O ATOM 881 CG2 THR A2105 2.043 0.535 -7.729 1.00 0.28 C ATOM 0 H THR A2105 3.449 4.007 -6.412 1.00 0.21 H new ATOM 0 HA THR A2105 1.552 3.143 -8.332 1.00 0.24 H new ATOM 0 HB THR A2105 2.882 1.587 -6.076 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.523 2.593 -7.260 1.00 0.33 H new ATOM 0 HG21 THR A2105 2.696 -0.330 -7.609 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.101 0.353 -7.212 1.00 0.28 H new ATOM 0 HG23 THR A2105 1.849 0.700 -8.789 1.00 0.28 H new ATOM 889 N LEU A2106 0.642 3.040 -5.162 1.00 0.20 N ATOM 890 CA LEU A2106 -0.485 2.832 -4.261 1.00 0.19 C ATOM 891 C LEU A2106 -1.592 3.852 -4.502 1.00 0.18 C ATOM 892 O LEU A2106 -2.755 3.483 -4.632 1.00 0.22 O ATOM 893 CB LEU A2106 -0.019 2.907 -2.804 1.00 0.28 C ATOM 894 CG LEU A2106 1.103 1.938 -2.428 1.00 0.50 C ATOM 895 CD1 LEU A2106 1.479 2.101 -0.966 1.00 1.25 C ATOM 896 CD2 LEU A2106 0.699 0.503 -2.721 1.00 1.47 C ATOM 0 H LEU A2106 1.497 3.349 -4.699 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.890 1.840 -4.463 1.00 0.19 H new ATOM 0 HB2 LEU A2106 0.317 3.923 -2.599 1.00 0.28 H new ATOM 0 HB3 LEU A2106 -0.874 2.717 -2.156 1.00 0.28 H new ATOM 0 HG LEU A2106 1.976 2.174 -3.037 1.00 0.50 H new ATOM 0 HD11 LEU A2106 2.279 1.404 -0.716 1.00 1.25 H new ATOM 0 HD12 LEU A2106 1.819 3.121 -0.789 1.00 1.25 H new ATOM 0 HD13 LEU A2106 0.610 1.895 -0.342 1.00 1.25 H new ATOM 0 HD21 LEU A2106 1.513 -0.168 -2.445 1.00 1.47 H new ATOM 0 HD22 LEU A2106 -0.191 0.250 -2.144 1.00 1.47 H new ATOM 0 HD23 LEU A2106 0.484 0.395 -3.784 1.00 1.47 H new ATOM 908 N THR A2107 -1.234 5.130 -4.577 1.00 0.19 N ATOM 909 CA THR A2107 -2.227 6.183 -4.749 1.00 0.27 C ATOM 910 C THR A2107 -2.888 6.060 -6.123 1.00 0.29 C ATOM 911 O THR A2107 -4.043 6.434 -6.307 1.00 0.33 O ATOM 912 CB THR A2107 -1.611 7.594 -4.550 1.00 0.37 C ATOM 913 OG1 THR A2107 -2.632 8.543 -4.238 1.00 0.67 O ATOM 914 CG2 THR A2107 -0.857 8.071 -5.781 1.00 0.44 C ATOM 0 H THR A2107 -0.270 5.459 -4.522 1.00 0.19 H new ATOM 0 HA THR A2107 -2.989 6.058 -3.980 1.00 0.27 H new ATOM 0 HB THR A2107 -0.904 7.515 -3.724 1.00 0.37 H new ATOM 0 HG1 THR A2107 -3.317 8.529 -4.939 1.00 0.67 H new ATOM 0 HG21 THR A2107 -0.444 9.062 -5.593 1.00 0.44 H new ATOM 0 HG22 THR A2107 -0.047 7.377 -6.003 1.00 0.44 H new ATOM 0 HG23 THR A2107 -1.539 8.117 -6.630 1.00 0.44 H new ATOM 922 N HIS A2108 -2.144 5.510 -7.074 1.00 0.29 N ATOM 923 CA HIS A2108 -2.661 5.221 -8.403 1.00 0.35 C ATOM 924 C HIS A2108 -3.644 4.060 -8.349 1.00 0.35 C ATOM 925 O HIS A2108 -4.762 4.150 -8.850 1.00 0.47 O ATOM 926 CB HIS A2108 -1.500 4.884 -9.331 1.00 0.38 C ATOM 927 CG HIS A2108 -1.905 4.571 -10.737 1.00 0.61 C ATOM 928 ND1 HIS A2108 -2.116 5.529 -11.704 1.00 0.71 N ATOM 929 CD2 HIS A2108 -2.126 3.383 -11.332 1.00 1.06 C ATOM 930 CE1 HIS A2108 -2.450 4.938 -12.836 1.00 1.01 C ATOM 931 NE2 HIS A2108 -2.462 3.634 -12.639 1.00 1.29 N ATOM 0 H HIS A2108 -1.166 5.252 -6.945 1.00 0.29 H new ATOM 0 HA HIS A2108 -3.187 6.097 -8.782 1.00 0.35 H new ATOM 0 HB2 HIS A2108 -0.805 5.724 -9.344 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.960 4.030 -8.922 1.00 0.38 H new ATOM 0 HD2 HIS A2108 -2.052 2.411 -10.866 1.00 1.06 H new ATOM 0 HE1 HIS A2108 -2.675 5.438 -13.766 1.00 1.01 H new ATOM 0 HE2 HIS A2108 -2.684 2.929 -13.342 1.00 1.29 H new ATOM 940 N ASN A2109 -3.202 2.977 -7.738 1.00 0.27 N ATOM 941 CA ASN A2109 -4.004 1.760 -7.611 1.00 0.28 C ATOM 942 C ASN A2109 -5.275 1.988 -6.797 1.00 0.28 C ATOM 943 O ASN A2109 -6.336 1.464 -7.132 1.00 0.36 O ATOM 944 CB ASN A2109 -3.168 0.651 -6.975 1.00 0.28 C ATOM 945 CG ASN A2109 -2.449 -0.196 -8.009 1.00 0.35 C ATOM 946 OD1 ASN A2109 -2.956 -1.232 -8.440 1.00 0.40 O ATOM 947 ND2 ASN A2109 -1.270 0.240 -8.421 1.00 0.39 N ATOM 0 H ASN A2109 -2.277 2.909 -7.313 1.00 0.27 H new ATOM 0 HA ASN A2109 -4.310 1.463 -8.614 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.436 1.093 -6.299 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.814 0.013 -6.372 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -0.747 -0.287 -9.120 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -0.884 1.104 -8.039 1.00 0.39 H new ATOM 954 N THR A2110 -5.170 2.772 -5.738 1.00 0.25 N ATOM 955 CA THR A2110 -6.312 3.074 -4.896 1.00 0.26 C ATOM 956 C THR A2110 -7.177 4.134 -5.567 1.00 0.27 C ATOM 957 O THR A2110 -8.390 4.209 -5.355 1.00 0.33 O ATOM 958 CB THR A2110 -5.856 3.545 -3.502 1.00 0.27 C ATOM 959 OG1 THR A2110 -4.955 4.652 -3.632 1.00 0.24 O ATOM 960 CG2 THR A2110 -5.162 2.410 -2.763 1.00 0.29 C ATOM 0 H THR A2110 -4.300 3.213 -5.441 1.00 0.25 H new ATOM 0 HA THR A2110 -6.902 2.167 -4.764 1.00 0.26 H new ATOM 0 HB THR A2110 -6.733 3.856 -2.935 1.00 0.27 H new ATOM 0 HG1 THR A2110 -4.048 4.318 -3.793 1.00 0.24 H new ATOM 0 HG21 THR A2110 -4.845 2.756 -1.779 1.00 0.29 H new ATOM 0 HG22 THR A2110 -5.853 1.575 -2.648 1.00 0.29 H new ATOM 0 HG23 THR A2110 -4.291 2.085 -3.331 1.00 0.29 H new ATOM 968 N GLY A2111 -6.530 4.936 -6.406 1.00 0.23 N ATOM 969 CA GLY A2111 -7.225 5.935 -7.185 1.00 0.26 C ATOM 970 C GLY A2111 -7.443 7.212 -6.411 1.00 0.29 C ATOM 971 O GLY A2111 -8.158 8.110 -6.857 1.00 0.36 O ATOM 0 H GLY A2111 -5.522 4.907 -6.559 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -6.653 6.152 -8.087 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -8.188 5.538 -7.506 1.00 0.26 H new ATOM 975 N LEU A2112 -6.827 7.287 -5.248 1.00 0.28 N ATOM 976 CA LEU A2112 -6.946 8.446 -4.384 1.00 0.34 C ATOM 977 C LEU A2112 -5.710 9.309 -4.514 1.00 0.29 C ATOM 978 O LEU A2112 -4.958 9.202 -5.483 1.00 0.29 O ATOM 979 CB LEU A2112 -7.085 8.009 -2.931 1.00 0.43 C ATOM 980 CG LEU A2112 -7.380 6.536 -2.701 1.00 0.33 C ATOM 981 CD1 LEU A2112 -6.894 6.168 -1.329 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.861 6.225 -2.827 1.00 0.47 C ATOM 0 H LEU A2112 -6.231 6.548 -4.875 1.00 0.28 H new ATOM 0 HA LEU A2112 -7.830 9.010 -4.682 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -6.162 8.260 -2.408 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -7.881 8.594 -2.471 1.00 0.43 H new ATOM 0 HG LEU A2112 -6.866 5.952 -3.465 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -7.096 5.113 -1.142 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -5.821 6.350 -1.262 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -7.412 6.774 -0.585 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -9.025 5.161 -2.655 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -9.418 6.802 -2.089 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.204 6.488 -3.828 1.00 0.47 H new ATOM 994 N ASP A2113 -5.502 10.149 -3.522 1.00 0.28 N ATOM 995 CA ASP A2113 -4.360 11.040 -3.507 1.00 0.28 C ATOM 996 C ASP A2113 -3.725 11.044 -2.135 1.00 0.30 C ATOM 997 O ASP A2113 -4.368 11.354 -1.129 1.00 0.35 O ATOM 998 CB ASP A2113 -4.771 12.443 -3.899 1.00 0.34 C ATOM 999 CG ASP A2113 -3.617 13.423 -3.833 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -2.688 13.322 -4.663 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -3.636 14.305 -2.948 1.00 0.43 O ATOM 0 H ASP A2113 -6.113 10.234 -2.710 1.00 0.28 H new ATOM 0 HA ASP A2113 -3.631 10.682 -4.234 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -5.176 12.431 -4.911 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -5.570 12.782 -3.240 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.465 10.692 -2.116 1.00 0.30 N ATOM 1007 CA LEU A2114 -1.738 10.453 -0.884 1.00 0.30 C ATOM 1008 C LEU A2114 -0.377 11.136 -0.906 1.00 0.30 C ATOM 1009 O LEU A2114 0.159 11.433 -1.974 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.555 8.946 -0.706 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.850 8.140 -0.696 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -2.553 6.659 -0.581 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.749 8.602 0.438 1.00 0.91 C ATOM 0 H LEU A2114 -1.905 10.561 -2.959 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.308 10.868 -0.052 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.919 8.574 -1.509 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -1.025 8.767 0.229 1.00 0.32 H new ATOM 0 HG LEU A2114 -3.373 8.307 -1.638 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -3.489 6.100 -0.575 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -1.946 6.343 -1.429 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -2.010 6.468 0.345 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -4.670 8.018 0.433 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -3.236 8.462 1.389 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -3.988 9.657 0.306 1.00 0.91 H new ATOM 1025 N PRO A2115 0.193 11.392 0.280 1.00 0.29 N ATOM 1026 CA PRO A2115 1.533 11.966 0.420 1.00 0.31 C ATOM 1027 C PRO A2115 2.619 10.914 0.231 1.00 0.28 C ATOM 1028 O PRO A2115 2.396 9.733 0.489 1.00 0.25 O ATOM 1029 CB PRO A2115 1.540 12.437 1.871 1.00 0.33 C ATOM 1030 CG PRO A2115 0.687 11.435 2.560 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.430 11.145 1.597 1.00 0.30 C ATOM 0 HA PRO A2115 1.732 12.745 -0.316 1.00 0.31 H new ATOM 0 HB2 PRO A2115 2.549 12.457 2.282 1.00 0.33 H new ATOM 0 HB3 PRO A2115 1.136 13.445 1.969 1.00 0.33 H new ATOM 0 HG2 PRO A2115 1.250 10.532 2.794 1.00 0.29 H new ATOM 0 HG3 PRO A2115 0.304 11.825 3.503 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -0.786 10.119 1.689 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.288 11.796 1.766 1.00 0.30 H new ATOM 1039 N PRO A2116 3.820 11.322 -0.194 1.00 0.33 N ATOM 1040 CA PRO A2116 4.953 10.409 -0.309 1.00 0.36 C ATOM 1041 C PRO A2116 5.536 10.069 1.064 1.00 0.34 C ATOM 1042 O PRO A2116 6.524 9.344 1.174 1.00 0.43 O ATOM 1043 CB PRO A2116 5.950 11.198 -1.161 1.00 0.44 C ATOM 1044 CG PRO A2116 5.652 12.625 -0.863 1.00 0.46 C ATOM 1045 CD PRO A2116 4.171 12.699 -0.602 1.00 0.43 C ATOM 0 HA PRO A2116 4.685 9.448 -0.748 1.00 0.36 H new ATOM 0 HB2 PRO A2116 6.979 10.946 -0.903 1.00 0.44 H new ATOM 0 HB3 PRO A2116 5.825 10.980 -2.222 1.00 0.44 H new ATOM 0 HG2 PRO A2116 6.218 12.968 0.003 1.00 0.46 H new ATOM 0 HG3 PRO A2116 5.932 13.264 -1.700 1.00 0.46 H new ATOM 0 HD2 PRO A2116 3.938 13.421 0.181 1.00 0.43 H new ATOM 0 HD3 PRO A2116 3.622 13.006 -1.492 1.00 0.43 H new ATOM 1053 N THR A2117 4.899 10.593 2.111 1.00 0.27 N ATOM 1054 CA THR A2117 5.334 10.353 3.478 1.00 0.24 C ATOM 1055 C THR A2117 4.555 9.218 4.131 1.00 0.17 C ATOM 1056 O THR A2117 4.797 8.897 5.289 1.00 0.15 O ATOM 1057 CB THR A2117 5.189 11.618 4.334 1.00 0.27 C ATOM 1058 OG1 THR A2117 3.891 12.195 4.133 1.00 0.32 O ATOM 1059 CG2 THR A2117 6.270 12.627 3.985 1.00 0.36 C ATOM 0 H THR A2117 4.075 11.190 2.033 1.00 0.27 H new ATOM 0 HA THR A2117 6.385 10.069 3.424 1.00 0.24 H new ATOM 0 HB THR A2117 5.301 11.345 5.383 1.00 0.27 H new ATOM 0 HG1 THR A2117 3.803 13.001 4.683 1.00 0.32 H new ATOM 0 HG21 THR A2117 6.150 13.517 4.603 1.00 0.36 H new ATOM 0 HG22 THR A2117 7.251 12.188 4.168 1.00 0.36 H new ATOM 0 HG23 THR A2117 6.186 12.901 2.933 1.00 0.36 H new ATOM 1067 N LEU A2118 3.602 8.639 3.394 1.00 0.16 N ATOM 1068 CA LEU A2118 2.895 7.430 3.832 1.00 0.16 C ATOM 1069 C LEU A2118 3.820 6.463 4.537 1.00 0.16 C ATOM 1070 O LEU A2118 3.617 6.102 5.693 1.00 0.19 O ATOM 1071 CB LEU A2118 2.341 6.685 2.630 1.00 0.23 C ATOM 1072 CG LEU A2118 1.214 7.356 1.885 1.00 0.33 C ATOM 1073 CD1 LEU A2118 0.858 6.510 0.678 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.025 7.532 2.808 1.00 0.77 C ATOM 0 H LEU A2118 3.300 8.991 2.485 1.00 0.16 H new ATOM 0 HA LEU A2118 2.106 7.761 4.507 1.00 0.16 H new ATOM 0 HB2 LEU A2118 3.158 6.512 1.929 1.00 0.23 H new ATOM 0 HB3 LEU A2118 1.995 5.707 2.964 1.00 0.23 H new ATOM 0 HG LEU A2118 1.518 8.345 1.543 1.00 0.33 H new ATOM 0 HD11 LEU A2118 0.044 6.983 0.129 1.00 0.79 H new ATOM 0 HD12 LEU A2118 1.728 6.419 0.028 1.00 0.79 H new ATOM 0 HD13 LEU A2118 0.546 5.519 1.008 1.00 0.79 H new ATOM 0 HD21 LEU A2118 -0.787 8.017 2.267 1.00 0.77 H new ATOM 0 HD22 LEU A2118 -0.307 6.557 3.163 1.00 0.77 H new ATOM 0 HD23 LEU A2118 0.313 8.149 3.659 1.00 0.77 H new ATOM 1086 N ILE A2119 4.827 6.053 3.793 1.00 0.15 N ATOM 1087 CA ILE A2119 5.792 5.055 4.228 1.00 0.18 C ATOM 1088 C ILE A2119 6.490 5.471 5.526 1.00 0.20 C ATOM 1089 O ILE A2119 6.972 4.632 6.281 1.00 0.28 O ATOM 1090 CB ILE A2119 6.859 4.837 3.138 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.236 4.855 1.733 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.602 3.534 3.370 1.00 0.24 C ATOM 1093 CD1 ILE A2119 5.121 3.857 1.507 1.00 0.20 C ATOM 0 H ILE A2119 5.004 6.408 2.853 1.00 0.15 H new ATOM 0 HA ILE A2119 5.243 4.131 4.408 1.00 0.18 H new ATOM 0 HB ILE A2119 7.570 5.661 3.201 1.00 0.19 H new ATOM 0 HG12 ILE A2119 5.851 5.856 1.537 1.00 0.19 H new ATOM 0 HG13 ILE A2119 7.023 4.668 1.002 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.351 3.398 2.590 1.00 0.24 H new ATOM 0 HG22 ILE A2119 8.093 3.563 4.343 1.00 0.24 H new ATOM 0 HG23 ILE A2119 6.897 2.703 3.344 1.00 0.24 H new ATOM 0 HD11 ILE A2119 4.750 3.951 0.486 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.499 2.847 1.664 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.309 4.054 2.207 1.00 0.20 H new ATOM 1105 N PHE A2120 6.554 6.771 5.765 1.00 0.17 N ATOM 1106 CA PHE A2120 7.203 7.310 6.940 1.00 0.19 C ATOM 1107 C PHE A2120 6.219 7.469 8.100 1.00 0.20 C ATOM 1108 O PHE A2120 6.576 7.290 9.266 1.00 0.26 O ATOM 1109 CB PHE A2120 7.817 8.652 6.572 1.00 0.19 C ATOM 1110 CG PHE A2120 8.968 8.510 5.625 1.00 0.24 C ATOM 1111 CD1 PHE A2120 9.953 7.572 5.875 1.00 0.31 C ATOM 1112 CD2 PHE A2120 9.064 9.293 4.489 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.011 7.413 5.011 1.00 0.37 C ATOM 1114 CE2 PHE A2120 10.125 9.142 3.617 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.101 8.200 3.879 1.00 0.38 C ATOM 0 H PHE A2120 6.156 7.479 5.147 1.00 0.17 H new ATOM 0 HA PHE A2120 7.978 6.619 7.273 1.00 0.19 H new ATOM 0 HB2 PHE A2120 7.054 9.286 6.121 1.00 0.19 H new ATOM 0 HB3 PHE A2120 8.155 9.155 7.478 1.00 0.19 H new ATOM 0 HD1 PHE A2120 9.891 6.956 6.760 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.302 10.030 4.281 1.00 0.27 H new ATOM 0 HE1 PHE A2120 11.771 6.674 5.217 1.00 0.37 H new ATOM 0 HE2 PHE A2120 10.191 9.759 2.733 1.00 0.34 H new ATOM 0 HZ PHE A2120 11.932 8.079 3.200 1.00 0.38 H new ATOM 1125 N ASP A2121 4.981 7.806 7.766 1.00 0.17 N ATOM 1126 CA ASP A2121 3.945 8.071 8.764 1.00 0.22 C ATOM 1127 C ASP A2121 3.293 6.777 9.225 1.00 0.20 C ATOM 1128 O ASP A2121 2.827 6.662 10.356 1.00 0.29 O ATOM 1129 CB ASP A2121 2.883 8.998 8.173 1.00 0.29 C ATOM 1130 CG ASP A2121 2.056 9.691 9.237 1.00 0.74 C ATOM 1131 OD1 ASP A2121 0.839 9.411 9.319 1.00 1.34 O ATOM 1132 OD2 ASP A2121 2.616 10.492 10.013 1.00 0.88 O ATOM 0 H ASP A2121 4.664 7.904 6.801 1.00 0.17 H new ATOM 0 HA ASP A2121 4.412 8.550 9.625 1.00 0.22 H new ATOM 0 HB2 ASP A2121 3.368 9.749 7.549 1.00 0.29 H new ATOM 0 HB3 ASP A2121 2.224 8.422 7.524 1.00 0.29 H new ATOM 1137 N HIS A2122 3.261 5.812 8.326 1.00 0.14 N ATOM 1138 CA HIS A2122 2.682 4.502 8.592 1.00 0.14 C ATOM 1139 C HIS A2122 3.614 3.451 8.024 1.00 0.14 C ATOM 1140 O HIS A2122 3.341 2.868 6.973 1.00 0.14 O ATOM 1141 CB HIS A2122 1.307 4.356 7.933 1.00 0.16 C ATOM 1142 CG HIS A2122 0.347 5.455 8.258 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.536 5.397 9.311 1.00 0.34 N ATOM 1144 CD2 HIS A2122 0.137 6.652 7.658 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.248 6.508 9.345 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -0.859 7.288 8.354 1.00 0.40 N ATOM 0 H HIS A2122 3.638 5.912 7.383 1.00 0.14 H new ATOM 0 HA HIS A2122 2.557 4.382 9.668 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.438 4.313 6.852 1.00 0.16 H new ATOM 0 HB3 HIS A2122 0.870 3.406 8.239 1.00 0.16 H new ATOM 0 HD2 HIS A2122 0.657 7.034 6.792 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -2.020 6.740 10.064 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -1.237 8.211 8.141 1.00 0.40 H new ATOM 1155 N PRO A2123 4.732 3.196 8.697 1.00 0.16 N ATOM 1156 CA PRO A2123 5.771 2.371 8.149 1.00 0.17 C ATOM 1157 C PRO A2123 5.615 0.916 8.535 1.00 0.15 C ATOM 1158 O PRO A2123 5.861 0.536 9.675 1.00 0.19 O ATOM 1159 CB PRO A2123 7.019 2.965 8.809 1.00 0.20 C ATOM 1160 CG PRO A2123 6.543 3.674 10.044 1.00 0.25 C ATOM 1161 CD PRO A2123 5.036 3.631 10.036 1.00 0.20 C ATOM 0 HA PRO A2123 5.783 2.370 7.059 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.736 2.183 9.061 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.525 3.656 8.134 1.00 0.20 H new ATOM 0 HG2 PRO A2123 6.936 3.192 10.939 1.00 0.25 H new ATOM 0 HG3 PRO A2123 6.898 4.705 10.056 1.00 0.25 H new ATOM 0 HD2 PRO A2123 4.648 2.939 10.783 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.603 4.608 10.251 1.00 0.20 H new ATOM 1169 N THR A2124 5.136 0.160 7.563 1.00 0.12 N ATOM 1170 CA THR A2124 5.212 -1.288 7.441 1.00 0.10 C ATOM 1171 C THR A2124 4.249 -1.639 6.328 1.00 0.10 C ATOM 1172 O THR A2124 3.334 -0.847 6.078 1.00 0.11 O ATOM 1173 CB THR A2124 4.859 -2.091 8.714 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.759 -1.502 9.408 1.00 0.13 O ATOM 1175 CG2 THR A2124 6.058 -2.203 9.627 1.00 0.11 C ATOM 0 H THR A2124 4.643 0.576 6.773 1.00 0.12 H new ATOM 0 HA THR A2124 6.249 -1.563 7.247 1.00 0.10 H new ATOM 0 HB THR A2124 4.565 -3.093 8.402 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.556 -2.031 10.208 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.786 -2.772 10.516 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.867 -2.712 9.104 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.386 -1.206 9.920 1.00 0.11 H new ATOM 1183 N PRO A2125 4.385 -2.761 5.625 1.00 0.11 N ATOM 1184 CA PRO A2125 3.353 -3.156 4.679 1.00 0.12 C ATOM 1185 C PRO A2125 1.998 -3.235 5.375 1.00 0.13 C ATOM 1186 O PRO A2125 0.980 -2.825 4.819 1.00 0.14 O ATOM 1187 CB PRO A2125 3.802 -4.525 4.182 1.00 0.12 C ATOM 1188 CG PRO A2125 5.270 -4.565 4.444 1.00 0.12 C ATOM 1189 CD PRO A2125 5.517 -3.696 5.649 1.00 0.11 C ATOM 0 HA PRO A2125 3.232 -2.445 3.861 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.284 -5.326 4.709 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.586 -4.651 3.121 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.603 -5.586 4.628 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.827 -4.199 3.582 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.538 -4.280 6.569 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.472 -3.175 5.581 1.00 0.11 H new ATOM 1197 N HIS A2126 2.008 -3.711 6.626 1.00 0.13 N ATOM 1198 CA HIS A2126 0.787 -3.817 7.414 1.00 0.15 C ATOM 1199 C HIS A2126 0.238 -2.445 7.810 1.00 0.14 C ATOM 1200 O HIS A2126 -0.965 -2.232 7.731 1.00 0.16 O ATOM 1201 CB HIS A2126 1.026 -4.686 8.651 1.00 0.18 C ATOM 1202 CG HIS A2126 -0.103 -4.659 9.640 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -1.296 -5.313 9.436 1.00 0.35 N ATOM 1204 CD2 HIS A2126 -0.223 -4.028 10.834 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -2.102 -5.082 10.454 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -1.474 -4.307 11.320 1.00 0.40 N ATOM 0 H HIS A2126 2.849 -4.027 7.108 1.00 0.13 H new ATOM 0 HA HIS A2126 0.032 -4.294 6.789 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.193 -5.715 8.333 1.00 0.18 H new ATOM 0 HB3 HIS A2126 1.938 -4.353 9.146 1.00 0.18 H new ATOM 0 HD2 HIS A2126 0.528 -3.418 11.314 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -3.107 -5.463 10.562 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -1.857 -3.972 12.204 1.00 0.40 H new ATOM 1215 N ALA A2127 1.103 -1.521 8.236 1.00 0.13 N ATOM 1216 CA ALA A2127 0.644 -0.174 8.608 1.00 0.12 C ATOM 1217 C ALA A2127 -0.104 0.472 7.452 1.00 0.11 C ATOM 1218 O ALA A2127 -1.126 1.133 7.644 1.00 0.11 O ATOM 1219 CB ALA A2127 1.807 0.723 9.034 1.00 0.13 C ATOM 0 H ALA A2127 2.107 -1.673 8.332 1.00 0.13 H new ATOM 0 HA ALA A2127 -0.029 -0.285 9.459 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.427 1.709 9.301 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.310 0.283 9.895 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.514 0.818 8.210 1.00 0.13 H new ATOM 1225 N LEU A2128 0.403 0.267 6.248 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.246 0.780 5.063 1.00 0.11 C ATOM 1227 C LEU A2128 -1.481 -0.028 4.710 1.00 0.13 C ATOM 1228 O LEU A2128 -2.420 0.503 4.120 1.00 0.14 O ATOM 1229 CB LEU A2128 0.725 0.800 3.899 1.00 0.11 C ATOM 1230 CG LEU A2128 1.820 1.848 4.012 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.667 1.826 2.763 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.220 3.230 4.245 1.00 0.12 C ATOM 0 H LEU A2128 1.263 -0.252 6.070 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.568 1.800 5.274 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.188 -0.183 3.811 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.167 0.973 2.979 1.00 0.11 H new ATOM 0 HG LEU A2128 2.452 1.616 4.869 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.453 2.577 2.843 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.118 0.840 2.646 1.00 0.12 H new ATOM 0 HD13 LEU A2128 2.043 2.044 1.896 1.00 0.12 H new ATOM 0 HD21 LEU A2128 2.020 3.966 4.323 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.569 3.489 3.410 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.641 3.224 5.169 1.00 0.12 H new ATOM 1244 N THR A2129 -1.499 -1.299 5.092 1.00 0.15 N ATOM 1245 CA THR A2129 -2.665 -2.132 4.859 1.00 0.17 C ATOM 1246 C THR A2129 -3.850 -1.545 5.605 1.00 0.17 C ATOM 1247 O THR A2129 -4.999 -1.648 5.177 1.00 0.20 O ATOM 1248 CB THR A2129 -2.445 -3.591 5.316 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.256 -4.129 4.726 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.627 -4.458 4.924 1.00 0.18 C ATOM 0 H THR A2129 -0.725 -1.770 5.560 1.00 0.15 H new ATOM 0 HA THR A2129 -2.852 -2.150 3.785 1.00 0.17 H new ATOM 0 HB THR A2129 -2.343 -3.588 6.401 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.568 -3.433 4.684 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.453 -5.482 5.255 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.532 -4.074 5.395 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.747 -4.442 3.841 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.552 -0.901 6.719 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.581 -0.265 7.508 1.00 0.18 C ATOM 1260 C GLN A2130 -4.941 1.090 6.909 1.00 0.17 C ATOM 1261 O GLN A2130 -6.118 1.441 6.798 1.00 0.20 O ATOM 1262 CB GLN A2130 -4.136 -0.080 8.963 1.00 0.22 C ATOM 1263 CG GLN A2130 -3.097 -1.082 9.444 1.00 0.28 C ATOM 1264 CD GLN A2130 -2.958 -1.084 10.951 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -2.169 -0.326 11.516 1.00 1.66 O ATOM 1266 NE2 GLN A2130 -3.722 -1.937 11.613 1.00 1.13 N ATOM 0 H GLN A2130 -2.608 -0.807 7.093 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.456 -0.915 7.496 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.732 0.926 9.080 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -5.012 -0.148 9.608 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -3.374 -2.080 9.105 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -2.133 -0.848 8.992 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -4.363 -2.548 11.106 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -3.671 -1.984 12.631 1.00 1.13 H new ATOM 1275 N HIS A2131 -3.917 1.846 6.509 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.122 3.190 5.987 1.00 0.18 C ATOM 1277 C HIS A2131 -4.871 3.165 4.661 1.00 0.18 C ATOM 1278 O HIS A2131 -5.883 3.846 4.506 1.00 0.19 O ATOM 1279 CB HIS A2131 -2.784 3.916 5.827 1.00 0.23 C ATOM 1280 CG HIS A2131 -2.932 5.348 5.409 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -3.413 6.331 6.244 1.00 0.32 N ATOM 1282 CD2 HIS A2131 -2.681 5.952 4.226 1.00 0.27 C ATOM 1283 CE1 HIS A2131 -3.455 7.476 5.594 1.00 0.35 C ATOM 1284 NE2 HIS A2131 -3.014 7.278 4.367 1.00 0.31 N ATOM 0 H HIS A2131 -2.942 1.548 6.538 1.00 0.16 H new ATOM 0 HA HIS A2131 -4.733 3.733 6.708 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.241 3.875 6.771 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.179 3.390 5.088 1.00 0.23 H new ATOM 0 HD2 HIS A2131 -2.291 5.480 3.336 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -3.794 8.419 5.998 1.00 0.35 H new ATOM 0 HE2 HIS A2131 -2.933 7.991 3.642 1.00 0.31 H new ATOM 1293 N LEU A2132 -4.380 2.383 3.706 1.00 0.19 N ATOM 1294 CA LEU A2132 -5.017 2.298 2.398 1.00 0.21 C ATOM 1295 C LEU A2132 -6.422 1.732 2.505 1.00 0.21 C ATOM 1296 O LEU A2132 -7.308 2.119 1.743 1.00 0.26 O ATOM 1297 CB LEU A2132 -4.187 1.465 1.414 1.00 0.26 C ATOM 1298 CG LEU A2132 -3.004 2.197 0.772 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -3.379 3.633 0.470 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -1.774 2.146 1.660 1.00 0.64 C ATOM 0 H LEU A2132 -3.548 1.802 3.812 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.080 3.315 2.011 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -3.809 0.586 1.936 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -4.845 1.107 0.622 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.761 1.690 -0.162 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -2.530 4.143 0.014 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -4.225 3.651 -0.217 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -3.652 4.140 1.395 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -0.953 2.674 1.175 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -1.996 2.619 2.616 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -1.489 1.107 1.827 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.643 0.845 3.469 1.00 0.20 N ATOM 1313 CA HIS A2133 -7.964 0.285 3.656 1.00 0.21 C ATOM 1314 C HIS A2133 -8.895 1.366 4.156 1.00 0.21 C ATOM 1315 O HIS A2133 -10.016 1.505 3.673 1.00 0.27 O ATOM 1316 CB HIS A2133 -7.962 -0.893 4.632 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.295 -1.572 4.687 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.972 -1.830 5.856 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -10.091 -2.021 3.685 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -11.125 -2.408 5.575 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -11.223 -2.535 4.263 1.00 0.31 N ATOM 0 H HIS A2133 -5.934 0.507 4.120 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.306 -0.096 2.694 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -7.200 -1.612 4.332 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.693 -0.540 5.627 1.00 0.21 H new ATOM 0 HD1 HIS A2133 -9.636 -1.609 6.793 1.00 0.27 H new ATOM 0 HD2 HIS A2133 -9.874 -1.981 2.628 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.864 -2.724 6.296 1.00 0.30 H new ATOM 1330 N THR A2134 -8.409 2.142 5.115 1.00 0.18 N ATOM 1331 CA THR A2134 -9.167 3.254 5.644 1.00 0.22 C ATOM 1332 C THR A2134 -9.541 4.218 4.527 1.00 0.26 C ATOM 1333 O THR A2134 -10.711 4.540 4.348 1.00 0.34 O ATOM 1334 CB THR A2134 -8.387 4.017 6.729 1.00 0.26 C ATOM 1335 OG1 THR A2134 -8.026 3.124 7.794 1.00 0.27 O ATOM 1336 CG2 THR A2134 -9.210 5.172 7.284 1.00 0.36 C ATOM 0 H THR A2134 -7.490 2.017 5.540 1.00 0.18 H new ATOM 0 HA THR A2134 -10.068 2.841 6.097 1.00 0.22 H new ATOM 0 HB THR A2134 -7.484 4.425 6.274 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.330 2.508 7.483 1.00 0.27 H new ATOM 0 HG21 THR A2134 -8.635 5.694 8.049 1.00 0.36 H new ATOM 0 HG22 THR A2134 -9.455 5.864 6.478 1.00 0.36 H new ATOM 0 HG23 THR A2134 -10.130 4.785 7.722 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.538 4.626 3.756 1.00 0.27 N ATOM 1345 CA ARG A2135 -8.713 5.609 2.693 1.00 0.32 C ATOM 1346 C ARG A2135 -9.872 5.262 1.757 1.00 0.40 C ATOM 1347 O ARG A2135 -10.709 6.109 1.457 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.426 5.731 1.885 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.273 6.342 2.652 1.00 0.28 C ATOM 1350 CD ARG A2135 -6.666 7.672 3.265 1.00 0.33 C ATOM 1351 NE ARG A2135 -7.188 8.619 2.280 1.00 0.85 N ATOM 1352 CZ ARG A2135 -7.482 9.889 2.558 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -7.296 10.363 3.783 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -7.963 10.681 1.611 1.00 1.64 N ATOM 0 H ARG A2135 -7.582 4.285 3.851 1.00 0.27 H new ATOM 0 HA ARG A2135 -8.952 6.559 3.171 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -7.133 4.741 1.536 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -7.621 6.336 0.999 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -5.952 5.658 3.437 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.423 6.483 1.985 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -7.419 7.504 4.035 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -5.798 8.110 3.759 1.00 0.33 H new ATOM 0 HE ARG A2135 -7.335 8.289 1.326 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -6.927 9.755 4.514 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -7.522 11.335 3.993 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -8.109 10.319 0.669 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -8.188 11.653 1.824 1.00 1.64 H new ATOM 1368 N LEU A2136 -9.906 4.020 1.297 1.00 0.41 N ATOM 1369 CA LEU A2136 -10.928 3.556 0.376 1.00 0.51 C ATOM 1370 C LEU A2136 -12.298 3.483 1.032 1.00 0.58 C ATOM 1371 O LEU A2136 -13.312 3.781 0.402 1.00 0.85 O ATOM 1372 CB LEU A2136 -10.520 2.187 -0.149 1.00 0.54 C ATOM 1373 CG LEU A2136 -9.219 2.191 -0.941 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -8.738 0.782 -1.212 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -9.407 2.950 -2.239 1.00 0.75 C ATOM 0 H LEU A2136 -9.224 3.306 1.553 1.00 0.41 H new ATOM 0 HA LEU A2136 -11.009 4.270 -0.444 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -10.419 1.502 0.692 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -11.318 1.799 -0.782 1.00 0.54 H new ATOM 0 HG LEU A2136 -8.456 2.691 -0.345 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -7.808 0.818 -1.779 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -8.567 0.268 -0.266 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -9.492 0.244 -1.786 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -8.472 2.949 -2.800 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -10.186 2.471 -2.831 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -9.698 3.978 -2.021 1.00 0.75 H new ATOM 1387 N THR A2137 -12.330 3.090 2.293 1.00 0.43 N ATOM 1388 CA THR A2137 -13.585 2.949 3.005 1.00 0.47 C ATOM 1389 C THR A2137 -14.099 4.304 3.489 1.00 0.54 C ATOM 1390 O THR A2137 -15.277 4.459 3.816 1.00 0.68 O ATOM 1391 CB THR A2137 -13.419 1.985 4.191 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.420 2.475 5.097 1.00 0.39 O ATOM 1393 CG2 THR A2137 -13.014 0.607 3.686 1.00 0.42 C ATOM 0 H THR A2137 -11.502 2.863 2.843 1.00 0.43 H new ATOM 0 HA THR A2137 -14.321 2.536 2.315 1.00 0.47 H new ATOM 0 HB THR A2137 -14.371 1.914 4.717 1.00 0.43 H new ATOM 0 HG1 THR A2137 -11.978 3.257 4.705 1.00 0.39 H new ATOM 0 HG21 THR A2137 -12.898 -0.071 4.532 1.00 0.42 H new ATOM 0 HG22 THR A2137 -13.784 0.224 3.017 1.00 0.42 H new ATOM 0 HG23 THR A2137 -12.069 0.680 3.148 1.00 0.42 H new ATOM 1401 N GLN A2138 -13.205 5.280 3.523 1.00 0.58 N ATOM 1402 CA GLN A2138 -13.536 6.629 3.920 1.00 0.69 C ATOM 1403 C GLN A2138 -14.028 7.435 2.723 1.00 0.88 C ATOM 1404 O GLN A2138 -13.387 7.455 1.673 1.00 1.05 O ATOM 1405 CB GLN A2138 -12.306 7.278 4.541 1.00 1.02 C ATOM 1406 CG GLN A2138 -12.000 6.760 5.932 1.00 0.66 C ATOM 1407 CD GLN A2138 -13.106 7.059 6.917 1.00 1.28 C ATOM 1408 OE1 GLN A2138 -13.792 8.076 6.812 1.00 1.87 O ATOM 1409 NE2 GLN A2138 -13.299 6.166 7.871 1.00 1.96 N ATOM 0 H GLN A2138 -12.224 5.152 3.273 1.00 0.58 H new ATOM 0 HA GLN A2138 -14.341 6.605 4.655 1.00 0.69 H new ATOM 0 HB2 GLN A2138 -11.445 7.102 3.896 1.00 1.02 H new ATOM 0 HB3 GLN A2138 -12.455 8.357 4.586 1.00 1.02 H new ATOM 0 HG2 GLN A2138 -11.839 5.683 5.888 1.00 0.66 H new ATOM 0 HG3 GLN A2138 -11.071 7.207 6.287 1.00 0.66 H new ATOM 0 HE21 GLN A2138 -12.707 5.337 7.921 1.00 1.96 H new ATOM 0 HE22 GLN A2138 -14.040 6.305 8.558 1.00 1.96 H new ATOM 1418 N SER A2139 -15.172 8.083 2.885 1.00 1.14 N ATOM 1419 CA SER A2139 -15.781 8.847 1.807 1.00 1.51 C ATOM 1420 C SER A2139 -14.909 10.039 1.418 1.00 1.92 C ATOM 1421 O SER A2139 -14.631 10.912 2.240 1.00 2.53 O ATOM 1422 CB SER A2139 -17.162 9.325 2.236 1.00 2.30 C ATOM 1423 OG SER A2139 -17.892 8.281 2.867 1.00 3.10 O ATOM 0 H SER A2139 -15.700 8.095 3.758 1.00 1.14 H new ATOM 0 HA SER A2139 -15.875 8.200 0.935 1.00 1.51 H new ATOM 0 HB2 SER A2139 -17.062 10.168 2.920 1.00 2.30 H new ATOM 0 HB3 SER A2139 -17.712 9.684 1.366 1.00 2.30 H new ATOM 0 HG SER A2139 -18.774 8.614 3.134 1.00 3.10 H new ATOM 1429 N HIS A2140 -14.477 10.063 0.165 1.00 2.46 N ATOM 1430 CA HIS A2140 -13.642 11.141 -0.345 1.00 3.43 C ATOM 1431 C HIS A2140 -13.733 11.184 -1.866 1.00 3.95 C ATOM 1432 O HIS A2140 -12.860 10.595 -2.530 1.00 4.42 O ATOM 1433 CB HIS A2140 -12.184 10.953 0.107 1.00 4.34 C ATOM 1434 CG HIS A2140 -11.252 12.031 -0.361 1.00 5.24 C ATOM 1435 ND1 HIS A2140 -10.507 11.935 -1.517 1.00 6.03 N ATOM 1436 CD2 HIS A2140 -10.943 13.227 0.184 1.00 5.82 C ATOM 1437 CE1 HIS A2140 -9.781 13.026 -1.662 1.00 6.90 C ATOM 1438 NE2 HIS A2140 -10.026 13.827 -0.645 1.00 6.81 N ATOM 1439 OXT HIS A2140 -14.694 11.786 -2.389 1.00 4.31 O ATOM 0 H HIS A2140 -14.694 9.341 -0.522 1.00 2.46 H new ATOM 0 HA HIS A2140 -14.000 12.089 0.057 1.00 3.43 H new ATOM 0 HB2 HIS A2140 -12.155 10.911 1.196 1.00 4.34 H new ATOM 0 HB3 HIS A2140 -11.823 9.992 -0.259 1.00 4.34 H new ATOM 0 HD2 HIS A2140 -11.342 13.636 1.101 1.00 5.82 H new ATOM 0 HE1 HIS A2140 -9.101 13.229 -2.476 1.00 6.90 H new ATOM 0 HE2 HIS A2140 -9.604 14.744 -0.497 1.00 6.81 H new TER 1448 HIS A2140