USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=29 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= -1.02 K(o=-1.9,f=-3.1!) USER MOD Set 1.2: A2133 HIS : no HE2:sc= -0.838 K(o=-1.9,f=-5.1!) USER MOD Single : A2047 SER OG : rot 180:sc= 0 USER MOD Single : A2048 HIS : no HD1:sc= -0.741 X(o=-0.74,f=-0.38) USER MOD Single : A2049 MET CE :methyl 142:sc= -0.254 (180deg=-1.42) USER MOD Single : A2052 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A2055 SER OG : rot 180:sc= 0 USER MOD Single : A2057 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A2058 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.18) USER MOD Single : A2060 GLN :FLIP amide:sc= -0.811 F(o=-1.4,f=-0.81) USER MOD Single : A2061 GLN : amide:sc= -0.475 X(o=-0.48,f=-0.37) USER MOD Single : A2062 THR OG1 : rot 69:sc= 1.2 USER MOD Single : A2065 THR OG1 : rot 79:sc= 0.541 USER MOD Single : A2071 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A2073 THR OG1 : rot 78:sc= 0.307 USER MOD Single : A2077 HIS : no HE2:sc= -5.62! C(o=-5.6!,f=-11!) USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2079 THR OG1 : rot 180:sc= -0.969 USER MOD Single : A2082 SER OG : rot -50:sc= 0.154 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 170:sc= 0.482 USER MOD Single : A2104 ASN : amide:sc= -1.19 K(o=-1.2,f=-5.6!) USER MOD Single : A2105 THR OG1 : rot 74:sc= 0.0443 USER MOD Single : A2107 THR OG1 : rot -41:sc= -0.549 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN :FLIP amide:sc= -0.0627 F(o=-0.6,f=-0.063) USER MOD Single : A2110 THR OG1 : rot -80:sc= -0.533! USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.491 USER MOD Single : A2122 HIS : no HD1:sc= -0.743 X(o=-0.74,f=-1) USER MOD Single : A2124 THR OG1 : rot 180:sc= -0.0677 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2129 THR OG1 : rot 67:sc= 0.25 USER MOD Single : A2130 GLN : amide:sc= -0.276 K(o=-0.28,f=-2.6!) USER MOD Single : A2131 HIS : no HE2:sc= -0.448 X(o=-0.45,f=-0.087) USER MOD Single : A2134 THR OG1 : rot 72:sc= 0.475 USER MOD Single : A2137 THR OG1 : rot -84:sc= 1.24 USER MOD Single : A2138 GLN : amide:sc= -0.208 K(o=-0.21,f=-0.79) USER MOD Single : A2139 SER OG : rot 51:sc= 0.191 USER MOD Single : A2140 HIS : no HD1:sc=-0.00998 X(o=-0.01,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A2046 -16.451 6.254 -7.786 1.00 6.15 N ATOM 2 CA GLY A2046 -16.212 4.848 -7.381 1.00 5.60 C ATOM 3 C GLY A2046 -14.747 4.470 -7.446 1.00 5.08 C ATOM 4 O GLY A2046 -14.393 3.427 -7.997 1.00 5.26 O ATOM 0 HA2 GLY A2046 -16.579 4.698 -6.366 1.00 5.60 H new ATOM 0 HA3 GLY A2046 -16.785 4.184 -8.028 1.00 5.60 H new ATOM 10 N SER A2047 -13.891 5.305 -6.875 1.00 4.85 N ATOM 11 CA SER A2047 -12.457 5.062 -6.897 1.00 4.75 C ATOM 12 C SER A2047 -12.049 4.082 -5.799 1.00 3.83 C ATOM 13 O SER A2047 -11.339 4.437 -4.863 1.00 4.09 O ATOM 14 CB SER A2047 -11.696 6.380 -6.745 1.00 5.58 C ATOM 15 OG SER A2047 -11.985 7.264 -7.817 1.00 6.22 O ATOM 0 H SER A2047 -14.166 6.159 -6.390 1.00 4.85 H new ATOM 0 HA SER A2047 -12.202 4.616 -7.858 1.00 4.75 H new ATOM 0 HB2 SER A2047 -11.964 6.851 -5.799 1.00 5.58 H new ATOM 0 HB3 SER A2047 -10.625 6.183 -6.711 1.00 5.58 H new ATOM 0 HG SER A2047 -11.488 8.100 -7.695 1.00 6.22 H new ATOM 21 N HIS A2048 -12.519 2.849 -5.910 1.00 3.01 N ATOM 22 CA HIS A2048 -12.138 1.801 -4.978 1.00 2.15 C ATOM 23 C HIS A2048 -11.590 0.614 -5.758 1.00 1.40 C ATOM 24 O HIS A2048 -12.323 -0.312 -6.097 1.00 1.44 O ATOM 25 CB HIS A2048 -13.320 1.386 -4.098 1.00 2.19 C ATOM 26 CG HIS A2048 -13.897 2.514 -3.292 1.00 2.49 C ATOM 27 ND1 HIS A2048 -15.219 2.892 -3.361 1.00 3.16 N ATOM 28 CD2 HIS A2048 -13.320 3.346 -2.391 1.00 2.35 C ATOM 29 CE1 HIS A2048 -15.429 3.905 -2.541 1.00 3.33 C ATOM 30 NE2 HIS A2048 -14.294 4.199 -1.940 1.00 2.84 N ATOM 0 H HIS A2048 -13.167 2.550 -6.639 1.00 3.01 H new ATOM 0 HA HIS A2048 -11.363 2.180 -4.312 1.00 2.15 H new ATOM 0 HB2 HIS A2048 -14.102 0.965 -4.730 1.00 2.19 H new ATOM 0 HB3 HIS A2048 -12.998 0.595 -3.421 1.00 2.19 H new ATOM 0 HD2 HIS A2048 -12.284 3.338 -2.085 1.00 2.35 H new ATOM 0 HE1 HIS A2048 -16.372 4.408 -2.388 1.00 3.33 H new ATOM 0 HE2 HIS A2048 -14.162 4.940 -1.252 1.00 2.84 H new ATOM 39 N MET A2049 -10.279 0.668 -5.992 1.00 1.08 N ATOM 40 CA MET A2049 -9.553 -0.193 -6.940 1.00 0.80 C ATOM 41 C MET A2049 -10.162 -1.571 -7.159 1.00 1.56 C ATOM 42 O MET A2049 -10.835 -1.820 -8.158 1.00 2.18 O ATOM 43 CB MET A2049 -8.126 -0.334 -6.404 1.00 0.83 C ATOM 44 CG MET A2049 -7.225 -1.263 -7.194 1.00 1.02 C ATOM 45 SD MET A2049 -5.618 -1.496 -6.407 1.00 1.09 S ATOM 46 CE MET A2049 -6.095 -2.194 -4.826 1.00 0.85 C ATOM 0 H MET A2049 -9.669 1.331 -5.514 1.00 1.08 H new ATOM 0 HA MET A2049 -9.598 0.282 -7.920 1.00 0.80 H new ATOM 0 HB2 MET A2049 -7.667 0.654 -6.377 1.00 0.83 H new ATOM 0 HB3 MET A2049 -8.176 -0.691 -5.375 1.00 0.83 H new ATOM 0 HG2 MET A2049 -7.715 -2.230 -7.307 1.00 1.02 H new ATOM 0 HG3 MET A2049 -7.081 -0.859 -8.196 1.00 1.02 H new ATOM 0 HE1 MET A2049 -5.377 -2.960 -4.535 1.00 0.85 H new ATOM 0 HE2 MET A2049 -6.112 -1.408 -4.071 1.00 0.85 H new ATOM 0 HE3 MET A2049 -7.087 -2.639 -4.909 1.00 0.85 H new ATOM 56 N ARG A2050 -9.916 -2.440 -6.224 1.00 2.19 N ATOM 57 CA ARG A2050 -10.461 -3.793 -6.244 1.00 3.02 C ATOM 58 C ARG A2050 -11.564 -3.941 -5.215 1.00 2.45 C ATOM 59 O ARG A2050 -12.148 -5.007 -5.061 1.00 3.04 O ATOM 60 CB ARG A2050 -9.364 -4.816 -5.977 1.00 4.17 C ATOM 61 CG ARG A2050 -8.285 -4.827 -7.036 1.00 5.10 C ATOM 62 CD ARG A2050 -8.013 -6.233 -7.523 1.00 6.03 C ATOM 63 NE ARG A2050 -6.989 -6.260 -8.565 1.00 7.06 N ATOM 64 CZ ARG A2050 -6.225 -7.317 -8.842 1.00 8.09 C ATOM 65 NH1 ARG A2050 -6.356 -8.442 -8.147 1.00 8.33 N ATOM 66 NH2 ARG A2050 -5.330 -7.246 -9.818 1.00 9.04 N ATOM 0 H ARG A2050 -9.329 -2.242 -5.414 1.00 2.19 H new ATOM 0 HA ARG A2050 -10.879 -3.974 -7.234 1.00 3.02 H new ATOM 0 HB2 ARG A2050 -8.910 -4.607 -5.008 1.00 4.17 H new ATOM 0 HB3 ARG A2050 -9.810 -5.808 -5.913 1.00 4.17 H new ATOM 0 HG2 ARG A2050 -8.588 -4.201 -7.875 1.00 5.10 H new ATOM 0 HG3 ARG A2050 -7.369 -4.396 -6.631 1.00 5.10 H new ATOM 0 HD2 ARG A2050 -7.694 -6.852 -6.685 1.00 6.03 H new ATOM 0 HD3 ARG A2050 -8.935 -6.668 -7.909 1.00 6.03 H new ATOM 0 HE ARG A2050 -6.849 -5.414 -9.117 1.00 7.06 H new ATOM 0 HH11 ARG A2050 -7.044 -8.501 -7.396 1.00 8.33 H new ATOM 0 HH12 ARG A2050 -5.768 -9.247 -8.364 1.00 8.33 H new ATOM 0 HH21 ARG A2050 -5.228 -6.384 -10.354 1.00 9.04 H new ATOM 0 HH22 ARG A2050 -4.744 -8.053 -10.032 1.00 9.04 H new ATOM 80 N LEU A2051 -11.847 -2.856 -4.521 1.00 1.40 N ATOM 81 CA LEU A2051 -12.560 -2.928 -3.257 1.00 1.14 C ATOM 82 C LEU A2051 -14.035 -2.581 -3.392 1.00 1.01 C ATOM 83 O LEU A2051 -14.607 -1.927 -2.521 1.00 1.07 O ATOM 84 CB LEU A2051 -11.889 -2.007 -2.231 1.00 1.24 C ATOM 85 CG LEU A2051 -10.443 -2.374 -1.864 1.00 1.66 C ATOM 86 CD1 LEU A2051 -10.314 -3.872 -1.679 1.00 2.23 C ATOM 87 CD2 LEU A2051 -9.453 -1.877 -2.915 1.00 2.25 C ATOM 0 H LEU A2051 -11.594 -1.911 -4.810 1.00 1.40 H new ATOM 0 HA LEU A2051 -12.511 -3.962 -2.916 1.00 1.14 H new ATOM 0 HB2 LEU A2051 -11.900 -0.989 -2.620 1.00 1.24 H new ATOM 0 HB3 LEU A2051 -12.488 -2.007 -1.321 1.00 1.24 H new ATOM 0 HG LEU A2051 -10.200 -1.878 -0.924 1.00 1.66 H new ATOM 0 HD11 LEU A2051 -9.285 -4.119 -1.419 1.00 2.23 H new ATOM 0 HD12 LEU A2051 -10.979 -4.198 -0.879 1.00 2.23 H new ATOM 0 HD13 LEU A2051 -10.586 -4.378 -2.605 1.00 2.23 H new ATOM 0 HD21 LEU A2051 -8.441 -2.155 -2.622 1.00 2.25 H new ATOM 0 HD22 LEU A2051 -9.688 -2.329 -3.879 1.00 2.25 H new ATOM 0 HD23 LEU A2051 -9.522 -0.792 -2.996 1.00 2.25 H new ATOM 99 N ASN A2052 -14.653 -3.020 -4.473 1.00 1.58 N ATOM 100 CA ASN A2052 -16.080 -2.808 -4.646 1.00 1.99 C ATOM 101 C ASN A2052 -16.865 -3.985 -4.079 1.00 1.93 C ATOM 102 O ASN A2052 -16.874 -5.071 -4.655 1.00 2.08 O ATOM 103 CB ASN A2052 -16.422 -2.618 -6.128 1.00 2.83 C ATOM 104 CG ASN A2052 -17.907 -2.396 -6.369 1.00 3.47 C ATOM 105 OD1 ASN A2052 -18.560 -1.668 -5.476 1.00 3.92 O flip ATOM 106 ND2 ASN A2052 -18.460 -2.862 -7.366 1.00 4.07 N flip ATOM 0 H ASN A2052 -14.197 -3.520 -5.236 1.00 1.58 H new ATOM 0 HA ASN A2052 -16.358 -1.904 -4.104 1.00 1.99 H new ATOM 0 HB2 ASN A2052 -15.865 -1.766 -6.518 1.00 2.83 H new ATOM 0 HB3 ASN A2052 -16.096 -3.495 -6.686 1.00 2.83 H new ATOM 0 HD21 ASN A2052 -17.925 -3.418 -8.033 1.00 4.07 H new ATOM 0 HD22 ASN A2052 -19.453 -2.691 -7.525 1.00 4.07 H new ATOM 113 N GLY A2053 -17.521 -3.760 -2.948 1.00 1.86 N ATOM 114 CA GLY A2053 -18.384 -4.775 -2.373 1.00 1.88 C ATOM 115 C GLY A2053 -17.664 -5.730 -1.434 1.00 1.57 C ATOM 116 O GLY A2053 -18.307 -6.548 -0.776 1.00 1.67 O ATOM 0 H GLY A2053 -17.471 -2.891 -2.417 1.00 1.86 H new ATOM 0 HA2 GLY A2053 -19.193 -4.286 -1.830 1.00 1.88 H new ATOM 0 HA3 GLY A2053 -18.842 -5.348 -3.179 1.00 1.88 H new ATOM 120 N LEU A2054 -16.342 -5.636 -1.361 1.00 1.24 N ATOM 121 CA LEU A2054 -15.572 -6.533 -0.514 1.00 1.05 C ATOM 122 C LEU A2054 -15.638 -6.092 0.940 1.00 0.93 C ATOM 123 O LEU A2054 -15.619 -4.898 1.244 1.00 0.98 O ATOM 124 CB LEU A2054 -14.108 -6.606 -0.969 1.00 0.96 C ATOM 125 CG LEU A2054 -13.841 -7.368 -2.275 1.00 1.10 C ATOM 126 CD1 LEU A2054 -14.482 -8.742 -2.235 1.00 1.60 C ATOM 127 CD2 LEU A2054 -14.332 -6.587 -3.483 1.00 1.50 C ATOM 0 H LEU A2054 -15.786 -4.952 -1.875 1.00 1.24 H new ATOM 0 HA LEU A2054 -16.012 -7.526 -0.603 1.00 1.05 H new ATOM 0 HB2 LEU A2054 -13.734 -5.589 -1.083 1.00 0.96 H new ATOM 0 HB3 LEU A2054 -13.525 -7.073 -0.175 1.00 0.96 H new ATOM 0 HG LEU A2054 -12.762 -7.490 -2.371 1.00 1.10 H new ATOM 0 HD11 LEU A2054 -14.281 -9.265 -3.170 1.00 1.60 H new ATOM 0 HD12 LEU A2054 -14.068 -9.313 -1.404 1.00 1.60 H new ATOM 0 HD13 LEU A2054 -15.559 -8.637 -2.103 1.00 1.60 H new ATOM 0 HD21 LEU A2054 -14.128 -7.155 -4.391 1.00 1.50 H new ATOM 0 HD22 LEU A2054 -15.405 -6.417 -3.395 1.00 1.50 H new ATOM 0 HD23 LEU A2054 -13.816 -5.628 -3.531 1.00 1.50 H new ATOM 139 N SER A2055 -15.731 -7.067 1.827 1.00 0.85 N ATOM 140 CA SER A2055 -15.756 -6.817 3.257 1.00 0.80 C ATOM 141 C SER A2055 -14.367 -6.420 3.758 1.00 0.67 C ATOM 142 O SER A2055 -13.368 -6.687 3.088 1.00 0.61 O ATOM 143 CB SER A2055 -16.270 -8.065 3.976 1.00 0.83 C ATOM 144 OG SER A2055 -17.634 -8.300 3.660 1.00 1.18 O ATOM 0 H SER A2055 -15.791 -8.054 1.576 1.00 0.85 H new ATOM 0 HA SER A2055 -16.428 -5.986 3.470 1.00 0.80 H new ATOM 0 HB2 SER A2055 -15.671 -8.929 3.689 1.00 0.83 H new ATOM 0 HB3 SER A2055 -16.157 -7.943 5.053 1.00 0.83 H new ATOM 0 HG SER A2055 -17.944 -9.103 4.128 1.00 1.18 H new ATOM 150 N PRO A2056 -14.302 -5.767 4.937 1.00 0.67 N ATOM 151 CA PRO A2056 -13.067 -5.213 5.505 1.00 0.61 C ATOM 152 C PRO A2056 -11.823 -6.072 5.308 1.00 0.54 C ATOM 153 O PRO A2056 -10.853 -5.615 4.707 1.00 0.50 O ATOM 154 CB PRO A2056 -13.413 -5.090 6.976 1.00 0.71 C ATOM 155 CG PRO A2056 -14.848 -4.721 6.960 1.00 0.86 C ATOM 156 CD PRO A2056 -15.454 -5.499 5.827 1.00 0.81 C ATOM 0 HA PRO A2056 -12.792 -4.280 5.012 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -13.244 -6.026 7.508 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -12.808 -4.329 7.469 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -15.327 -4.970 7.907 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -14.975 -3.649 6.811 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -15.915 -6.423 6.176 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -16.230 -4.928 5.318 1.00 0.81 H new ATOM 164 N GLN A2057 -11.852 -7.309 5.788 1.00 0.58 N ATOM 165 CA GLN A2057 -10.674 -8.166 5.747 1.00 0.60 C ATOM 166 C GLN A2057 -10.257 -8.475 4.307 1.00 0.57 C ATOM 167 O GLN A2057 -9.064 -8.532 4.001 1.00 0.57 O ATOM 168 CB GLN A2057 -10.927 -9.457 6.525 1.00 0.71 C ATOM 169 CG GLN A2057 -9.698 -10.342 6.626 1.00 0.83 C ATOM 170 CD GLN A2057 -9.924 -11.591 7.455 1.00 1.19 C ATOM 171 OE1 GLN A2057 -11.143 -12.108 7.443 1.00 1.63 O flip ATOM 172 NE2 GLN A2057 -9.002 -12.097 8.096 1.00 1.95 N flip ATOM 0 H GLN A2057 -12.675 -7.740 6.209 1.00 0.58 H new ATOM 0 HA GLN A2057 -9.852 -7.629 6.220 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -11.271 -9.208 7.529 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -11.730 -10.014 6.042 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -9.384 -10.632 5.623 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -8.880 -9.768 7.062 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -8.076 -11.670 8.081 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -9.165 -12.943 8.642 1.00 1.95 H new ATOM 181 N GLN A2058 -11.237 -8.664 3.422 1.00 0.59 N ATOM 182 CA GLN A2058 -10.952 -8.842 1.999 1.00 0.64 C ATOM 183 C GLN A2058 -10.239 -7.615 1.457 1.00 0.57 C ATOM 184 O GLN A2058 -9.237 -7.723 0.747 1.00 0.59 O ATOM 185 CB GLN A2058 -12.234 -9.065 1.196 1.00 0.75 C ATOM 186 CG GLN A2058 -12.870 -10.428 1.388 1.00 0.83 C ATOM 187 CD GLN A2058 -11.939 -11.569 1.019 1.00 0.99 C ATOM 188 OE1 GLN A2058 -11.886 -11.991 -0.133 1.00 1.44 O ATOM 189 NE2 GLN A2058 -11.217 -12.090 1.997 1.00 1.60 N ATOM 0 H GLN A2058 -12.227 -8.698 3.664 1.00 0.59 H new ATOM 0 HA GLN A2058 -10.318 -9.723 1.896 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -12.958 -8.299 1.472 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -12.013 -8.928 0.138 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -13.177 -10.537 2.428 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -13.773 -10.491 0.781 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -11.289 -11.711 2.941 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -10.588 -12.870 1.807 1.00 1.60 H new ATOM 198 N GLN A2059 -10.768 -6.448 1.810 1.00 0.54 N ATOM 199 CA GLN A2059 -10.186 -5.184 1.389 1.00 0.52 C ATOM 200 C GLN A2059 -8.751 -5.067 1.881 1.00 0.47 C ATOM 201 O GLN A2059 -7.874 -4.597 1.158 1.00 0.49 O ATOM 202 CB GLN A2059 -10.996 -4.000 1.919 1.00 0.57 C ATOM 203 CG GLN A2059 -12.450 -3.970 1.479 1.00 0.72 C ATOM 204 CD GLN A2059 -13.196 -2.792 2.077 1.00 1.02 C ATOM 205 OE1 GLN A2059 -13.724 -2.872 3.187 1.00 1.50 O ATOM 206 NE2 GLN A2059 -13.236 -1.687 1.352 1.00 1.19 N ATOM 0 H GLN A2059 -11.602 -6.354 2.389 1.00 0.54 H new ATOM 0 HA GLN A2059 -10.201 -5.163 0.299 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -10.962 -4.014 3.008 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -10.515 -3.076 1.597 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.499 -3.917 0.391 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -12.939 -4.898 1.776 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -12.786 -1.661 0.437 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -13.717 -0.861 1.708 1.00 1.19 H new ATOM 215 N GLN A2060 -8.522 -5.494 3.118 1.00 0.44 N ATOM 216 CA GLN A2060 -7.196 -5.431 3.714 1.00 0.42 C ATOM 217 C GLN A2060 -6.203 -6.236 2.906 1.00 0.39 C ATOM 218 O GLN A2060 -5.250 -5.684 2.380 1.00 0.37 O ATOM 219 CB GLN A2060 -7.210 -5.951 5.150 1.00 0.45 C ATOM 220 CG GLN A2060 -8.233 -5.270 6.035 1.00 0.50 C ATOM 221 CD GLN A2060 -8.325 -5.889 7.417 1.00 0.60 C ATOM 222 OE1 GLN A2060 -7.218 -6.419 7.910 1.00 0.78 O flip ATOM 223 NE2 GLN A2060 -9.387 -5.883 8.040 1.00 0.95 N flip ATOM 0 H GLN A2060 -9.240 -5.888 3.727 1.00 0.44 H new ATOM 0 HA GLN A2060 -6.894 -4.384 3.718 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.410 -7.022 5.137 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -6.220 -5.817 5.585 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -7.977 -4.215 6.132 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -9.210 -5.318 5.555 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -10.219 -5.464 7.625 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -9.434 -6.297 8.971 1.00 0.95 H new ATOM 232 N GLN A2061 -6.441 -7.536 2.801 1.00 0.41 N ATOM 233 CA GLN A2061 -5.549 -8.433 2.070 1.00 0.42 C ATOM 234 C GLN A2061 -5.287 -7.938 0.654 1.00 0.43 C ATOM 235 O GLN A2061 -4.190 -8.097 0.122 1.00 0.41 O ATOM 236 CB GLN A2061 -6.148 -9.819 2.036 1.00 0.51 C ATOM 237 CG GLN A2061 -6.225 -10.441 3.410 1.00 0.56 C ATOM 238 CD GLN A2061 -6.979 -11.754 3.428 1.00 0.67 C ATOM 239 OE1 GLN A2061 -6.999 -12.490 2.440 1.00 1.03 O ATOM 240 NE2 GLN A2061 -7.593 -12.062 4.556 1.00 1.32 N ATOM 0 H GLN A2061 -7.250 -7.998 3.215 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.591 -8.457 2.589 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -7.148 -9.770 1.605 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -5.550 -10.456 1.384 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -5.215 -10.604 3.785 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.709 -9.742 4.092 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -7.551 -11.424 5.350 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -8.109 -12.938 4.633 1.00 1.32 H new ATOM 249 N THR A2062 -6.304 -7.349 0.057 1.00 0.49 N ATOM 250 CA THR A2062 -6.165 -6.680 -1.228 1.00 0.55 C ATOM 251 C THR A2062 -5.017 -5.669 -1.204 1.00 0.49 C ATOM 252 O THR A2062 -4.102 -5.727 -2.026 1.00 0.48 O ATOM 253 CB THR A2062 -7.459 -5.939 -1.599 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.539 -6.873 -1.745 1.00 0.73 O ATOM 255 CG2 THR A2062 -7.282 -5.152 -2.890 1.00 0.77 C ATOM 0 H THR A2062 -7.247 -7.319 0.444 1.00 0.49 H new ATOM 0 HA THR A2062 -5.954 -7.451 -1.969 1.00 0.55 H new ATOM 0 HB THR A2062 -7.693 -5.240 -0.796 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.769 -7.247 -0.869 1.00 0.73 H new ATOM 0 HG21 THR A2062 -8.211 -4.636 -3.132 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.483 -4.421 -2.764 1.00 0.77 H new ATOM 0 HG23 THR A2062 -7.025 -5.835 -3.700 1.00 0.77 H new ATOM 263 N LEU A2063 -5.061 -4.766 -0.237 1.00 0.50 N ATOM 264 CA LEU A2063 -4.085 -3.704 -0.126 1.00 0.53 C ATOM 265 C LEU A2063 -2.811 -4.253 0.471 1.00 0.44 C ATOM 266 O LEU A2063 -1.724 -3.736 0.250 1.00 0.47 O ATOM 267 CB LEU A2063 -4.657 -2.623 0.769 1.00 0.69 C ATOM 268 CG LEU A2063 -6.009 -2.090 0.315 1.00 0.64 C ATOM 269 CD1 LEU A2063 -6.756 -1.487 1.486 1.00 1.32 C ATOM 270 CD2 LEU A2063 -5.829 -1.073 -0.800 1.00 1.22 C ATOM 0 H LEU A2063 -5.776 -4.752 0.491 1.00 0.50 H new ATOM 0 HA LEU A2063 -3.860 -3.289 -1.108 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -4.755 -3.018 1.780 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -3.950 -1.795 0.818 1.00 0.69 H new ATOM 0 HG LEU A2063 -6.601 -2.918 -0.075 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -7.721 -1.110 1.147 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -6.912 -2.249 2.249 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -6.173 -0.667 1.906 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -6.804 -0.701 -1.114 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -5.222 -0.242 -0.440 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -5.331 -1.546 -1.647 1.00 1.22 H new ATOM 282 N ALA A2064 -2.979 -5.330 1.204 1.00 0.39 N ATOM 283 CA ALA A2064 -1.889 -6.027 1.840 1.00 0.38 C ATOM 284 C ALA A2064 -0.978 -6.588 0.766 1.00 0.37 C ATOM 285 O ALA A2064 0.248 -6.545 0.864 1.00 0.51 O ATOM 286 CB ALA A2064 -2.457 -7.139 2.711 1.00 0.38 C ATOM 0 H ALA A2064 -3.892 -5.751 1.377 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.311 -5.352 2.472 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.641 -7.673 3.197 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -3.112 -6.709 3.469 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -3.026 -7.832 2.091 1.00 0.38 H new ATOM 292 N THR A2065 -1.620 -7.096 -0.271 1.00 0.28 N ATOM 293 CA THR A2065 -0.951 -7.592 -1.448 1.00 0.28 C ATOM 294 C THR A2065 -0.487 -6.436 -2.338 1.00 0.27 C ATOM 295 O THR A2065 0.594 -6.488 -2.920 1.00 0.25 O ATOM 296 CB THR A2065 -1.911 -8.506 -2.224 1.00 0.36 C ATOM 297 OG1 THR A2065 -2.256 -9.638 -1.413 1.00 0.40 O ATOM 298 CG2 THR A2065 -1.307 -8.975 -3.538 1.00 0.41 C ATOM 0 H THR A2065 -2.636 -7.174 -0.314 1.00 0.28 H new ATOM 0 HA THR A2065 -0.070 -8.157 -1.145 1.00 0.28 H new ATOM 0 HB THR A2065 -2.806 -7.931 -2.460 1.00 0.36 H new ATOM 0 HG1 THR A2065 -2.939 -9.377 -0.760 1.00 0.40 H new ATOM 0 HG21 THR A2065 -2.018 -9.619 -4.056 1.00 0.41 H new ATOM 0 HG22 THR A2065 -1.078 -8.111 -4.162 1.00 0.41 H new ATOM 0 HG23 THR A2065 -0.391 -9.532 -3.339 1.00 0.41 H new ATOM 306 N LEU A2066 -1.305 -5.389 -2.411 1.00 0.29 N ATOM 307 CA LEU A2066 -1.004 -4.213 -3.217 1.00 0.28 C ATOM 308 C LEU A2066 0.302 -3.594 -2.744 1.00 0.23 C ATOM 309 O LEU A2066 1.259 -3.451 -3.503 1.00 0.22 O ATOM 310 CB LEU A2066 -2.129 -3.190 -3.062 1.00 0.32 C ATOM 311 CG LEU A2066 -2.315 -2.183 -4.201 1.00 0.57 C ATOM 312 CD1 LEU A2066 -2.709 -0.832 -3.635 1.00 0.92 C ATOM 313 CD2 LEU A2066 -1.075 -2.052 -5.076 1.00 1.35 C ATOM 0 H LEU A2066 -2.194 -5.334 -1.913 1.00 0.29 H new ATOM 0 HA LEU A2066 -0.913 -4.505 -4.263 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -3.065 -3.733 -2.934 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -1.955 -2.632 -2.142 1.00 0.32 H new ATOM 0 HG LEU A2066 -3.113 -2.560 -4.841 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -2.840 -0.120 -4.450 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -3.644 -0.927 -3.083 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -1.927 -0.476 -2.965 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -1.263 -1.326 -5.867 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -0.234 -1.717 -4.468 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -0.839 -3.019 -5.520 1.00 1.35 H new ATOM 325 N VAL A2067 0.317 -3.245 -1.470 1.00 0.21 N ATOM 326 CA VAL A2067 1.463 -2.618 -0.846 1.00 0.18 C ATOM 327 C VAL A2067 2.712 -3.474 -1.014 1.00 0.16 C ATOM 328 O VAL A2067 3.797 -2.980 -1.327 1.00 0.17 O ATOM 329 CB VAL A2067 1.202 -2.405 0.655 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.455 -1.942 1.360 1.00 0.20 C ATOM 331 CG2 VAL A2067 0.086 -1.406 0.870 1.00 0.22 C ATOM 0 H VAL A2067 -0.470 -3.390 -0.838 1.00 0.21 H new ATOM 0 HA VAL A2067 1.622 -1.656 -1.334 1.00 0.18 H new ATOM 0 HB VAL A2067 0.899 -3.362 1.079 1.00 0.19 H new ATOM 0 HG11 VAL A2067 2.244 -1.799 2.420 1.00 0.20 H new ATOM 0 HG12 VAL A2067 3.236 -2.693 1.244 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.790 -1.000 0.926 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.081 -1.271 1.939 1.00 0.22 H new ATOM 0 HG22 VAL A2067 0.361 -0.451 0.423 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -0.828 -1.775 0.404 1.00 0.22 H new ATOM 341 N ALA A2068 2.535 -4.765 -0.814 1.00 0.15 N ATOM 342 CA ALA A2068 3.621 -5.714 -0.904 1.00 0.15 C ATOM 343 C ALA A2068 4.150 -5.806 -2.333 1.00 0.14 C ATOM 344 O ALA A2068 5.359 -5.766 -2.558 1.00 0.13 O ATOM 345 CB ALA A2068 3.136 -7.060 -0.399 1.00 0.17 C ATOM 0 H ALA A2068 1.633 -5.183 -0.585 1.00 0.15 H new ATOM 0 HA ALA A2068 4.453 -5.380 -0.283 1.00 0.15 H new ATOM 0 HB1 ALA A2068 3.947 -7.786 -0.462 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.813 -6.965 0.638 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.299 -7.398 -1.010 1.00 0.17 H new ATOM 351 N ALA A2069 3.235 -5.911 -3.288 1.00 0.17 N ATOM 352 CA ALA A2069 3.578 -5.945 -4.702 1.00 0.18 C ATOM 353 C ALA A2069 4.289 -4.666 -5.112 1.00 0.19 C ATOM 354 O ALA A2069 5.174 -4.671 -5.972 1.00 0.21 O ATOM 355 CB ALA A2069 2.326 -6.131 -5.545 1.00 0.23 C ATOM 0 H ALA A2069 2.234 -5.975 -3.103 1.00 0.17 H new ATOM 0 HA ALA A2069 4.249 -6.788 -4.869 1.00 0.18 H new ATOM 0 HB1 ALA A2069 2.598 -6.155 -6.600 1.00 0.23 H new ATOM 0 HB2 ALA A2069 1.841 -7.069 -5.274 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.640 -5.303 -5.366 1.00 0.23 H new ATOM 361 N ALA A2070 3.893 -3.573 -4.474 1.00 0.19 N ATOM 362 CA ALA A2070 4.452 -2.272 -4.758 1.00 0.21 C ATOM 363 C ALA A2070 5.930 -2.243 -4.431 1.00 0.20 C ATOM 364 O ALA A2070 6.740 -1.782 -5.232 1.00 0.23 O ATOM 365 CB ALA A2070 3.717 -1.203 -3.972 1.00 0.24 C ATOM 0 H ALA A2070 3.177 -3.570 -3.748 1.00 0.19 H new ATOM 0 HA ALA A2070 4.332 -2.070 -5.822 1.00 0.21 H new ATOM 0 HB1 ALA A2070 4.148 -0.227 -4.195 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.663 -1.207 -4.250 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.811 -1.406 -2.905 1.00 0.24 H new ATOM 371 N THR A2071 6.297 -2.763 -3.265 1.00 0.18 N ATOM 372 CA THR A2071 7.684 -2.695 -2.850 1.00 0.21 C ATOM 373 C THR A2071 8.460 -3.879 -3.398 1.00 0.21 C ATOM 374 O THR A2071 9.668 -3.813 -3.584 1.00 0.27 O ATOM 375 CB THR A2071 7.831 -2.549 -1.327 1.00 0.22 C ATOM 376 OG1 THR A2071 9.191 -2.309 -0.976 1.00 0.28 O ATOM 377 CG2 THR A2071 7.333 -3.764 -0.590 1.00 0.23 C ATOM 0 H THR A2071 5.668 -3.224 -2.608 1.00 0.18 H new ATOM 0 HA THR A2071 8.117 -1.790 -3.275 1.00 0.21 H new ATOM 0 HB THR A2071 7.218 -1.698 -1.031 1.00 0.22 H new ATOM 0 HG1 THR A2071 9.266 -2.217 -0.003 1.00 0.28 H new ATOM 0 HG21 THR A2071 7.457 -3.615 0.483 1.00 0.23 H new ATOM 0 HG22 THR A2071 6.278 -3.919 -0.815 1.00 0.23 H new ATOM 0 HG23 THR A2071 7.903 -4.639 -0.903 1.00 0.23 H new ATOM 385 N ALA A2072 7.750 -4.944 -3.712 1.00 0.18 N ATOM 386 CA ALA A2072 8.316 -6.029 -4.495 1.00 0.22 C ATOM 387 C ALA A2072 8.923 -5.463 -5.774 1.00 0.26 C ATOM 388 O ALA A2072 10.039 -5.818 -6.163 1.00 0.31 O ATOM 389 CB ALA A2072 7.215 -7.029 -4.818 1.00 0.22 C ATOM 0 H ALA A2072 6.778 -5.083 -3.437 1.00 0.18 H new ATOM 0 HA ALA A2072 9.101 -6.535 -3.933 1.00 0.22 H new ATOM 0 HB1 ALA A2072 7.629 -7.848 -5.406 1.00 0.22 H new ATOM 0 HB2 ALA A2072 6.797 -7.422 -3.891 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.429 -6.534 -5.389 1.00 0.22 H new ATOM 395 N THR A2073 8.193 -4.547 -6.391 1.00 0.27 N ATOM 396 CA THR A2073 8.655 -3.857 -7.578 1.00 0.34 C ATOM 397 C THR A2073 9.658 -2.755 -7.222 1.00 0.37 C ATOM 398 O THR A2073 10.717 -2.640 -7.840 1.00 0.43 O ATOM 399 CB THR A2073 7.463 -3.240 -8.329 1.00 0.38 C ATOM 400 OG1 THR A2073 6.523 -4.264 -8.682 1.00 0.40 O ATOM 401 CG2 THR A2073 7.929 -2.516 -9.577 1.00 0.46 C ATOM 0 H THR A2073 7.264 -4.263 -6.080 1.00 0.27 H new ATOM 0 HA THR A2073 9.153 -4.587 -8.216 1.00 0.34 H new ATOM 0 HB THR A2073 6.980 -2.518 -7.671 1.00 0.38 H new ATOM 0 HG1 THR A2073 5.987 -4.501 -7.896 1.00 0.40 H new ATOM 0 HG21 THR A2073 7.069 -2.088 -10.092 1.00 0.46 H new ATOM 0 HG22 THR A2073 8.619 -1.719 -9.299 1.00 0.46 H new ATOM 0 HG23 THR A2073 8.434 -3.220 -10.239 1.00 0.46 H new ATOM 409 N VAL A2074 9.312 -1.953 -6.219 1.00 0.36 N ATOM 410 CA VAL A2074 10.114 -0.826 -5.797 1.00 0.41 C ATOM 411 C VAL A2074 11.535 -1.230 -5.377 1.00 0.47 C ATOM 412 O VAL A2074 12.501 -0.559 -5.745 1.00 0.56 O ATOM 413 CB VAL A2074 9.370 -0.097 -4.662 1.00 0.38 C ATOM 414 CG1 VAL A2074 10.186 0.009 -3.390 1.00 0.38 C ATOM 415 CG2 VAL A2074 8.894 1.259 -5.120 1.00 0.37 C ATOM 0 H VAL A2074 8.457 -2.075 -5.676 1.00 0.36 H new ATOM 0 HA VAL A2074 10.247 -0.154 -6.645 1.00 0.41 H new ATOM 0 HB VAL A2074 8.501 -0.707 -4.415 1.00 0.38 H new ATOM 0 HG11 VAL A2074 9.607 0.532 -2.629 1.00 0.38 H new ATOM 0 HG12 VAL A2074 10.435 -0.990 -3.033 1.00 0.38 H new ATOM 0 HG13 VAL A2074 11.104 0.561 -3.591 1.00 0.38 H new ATOM 0 HG21 VAL A2074 8.371 1.756 -4.303 1.00 0.37 H new ATOM 0 HG22 VAL A2074 9.750 1.862 -5.423 1.00 0.37 H new ATOM 0 HG23 VAL A2074 8.216 1.140 -5.965 1.00 0.37 H new ATOM 425 N LEU A2075 11.674 -2.321 -4.620 1.00 0.43 N ATOM 426 CA LEU A2075 12.988 -2.774 -4.196 1.00 0.52 C ATOM 427 C LEU A2075 13.695 -3.440 -5.369 1.00 0.60 C ATOM 428 O LEU A2075 14.914 -3.344 -5.517 1.00 0.74 O ATOM 429 CB LEU A2075 12.864 -3.752 -3.025 1.00 0.49 C ATOM 430 CG LEU A2075 11.860 -3.345 -1.942 1.00 0.44 C ATOM 431 CD1 LEU A2075 11.642 -4.477 -0.956 1.00 0.46 C ATOM 432 CD2 LEU A2075 12.300 -2.086 -1.214 1.00 0.52 C ATOM 0 H LEU A2075 10.898 -2.897 -4.294 1.00 0.43 H new ATOM 0 HA LEU A2075 13.572 -1.916 -3.863 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.577 -4.728 -3.416 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.845 -3.869 -2.564 1.00 0.49 H new ATOM 0 HG LEU A2075 10.915 -3.129 -2.440 1.00 0.44 H new ATOM 0 HD11 LEU A2075 10.925 -4.165 -0.196 1.00 0.46 H new ATOM 0 HD12 LEU A2075 11.255 -5.349 -1.483 1.00 0.46 H new ATOM 0 HD13 LEU A2075 12.589 -4.731 -0.479 1.00 0.46 H new ATOM 0 HD21 LEU A2075 11.563 -1.829 -0.454 1.00 0.52 H new ATOM 0 HD22 LEU A2075 13.266 -2.259 -0.739 1.00 0.52 H new ATOM 0 HD23 LEU A2075 12.388 -1.266 -1.926 1.00 0.52 H new ATOM 444 N GLY A2076 12.905 -4.088 -6.220 1.00 0.57 N ATOM 445 CA GLY A2076 13.445 -4.727 -7.403 1.00 0.67 C ATOM 446 C GLY A2076 13.606 -6.224 -7.239 1.00 0.65 C ATOM 447 O GLY A2076 14.290 -6.869 -8.032 1.00 0.93 O ATOM 0 H GLY A2076 11.895 -4.181 -6.109 1.00 0.57 H new ATOM 0 HA2 GLY A2076 12.789 -4.527 -8.250 1.00 0.67 H new ATOM 0 HA3 GLY A2076 14.413 -4.286 -7.639 1.00 0.67 H new ATOM 451 N HIS A2077 12.966 -6.787 -6.219 1.00 0.51 N ATOM 452 CA HIS A2077 13.103 -8.213 -5.939 1.00 0.66 C ATOM 453 C HIS A2077 11.968 -9.005 -6.579 1.00 0.68 C ATOM 454 O HIS A2077 12.058 -10.220 -6.741 1.00 0.97 O ATOM 455 CB HIS A2077 13.166 -8.470 -4.425 1.00 0.81 C ATOM 456 CG HIS A2077 11.854 -8.498 -3.718 1.00 0.50 C ATOM 457 ND1 HIS A2077 11.165 -9.656 -3.454 1.00 0.54 N ATOM 458 CD2 HIS A2077 11.133 -7.501 -3.173 1.00 0.74 C ATOM 459 CE1 HIS A2077 10.077 -9.369 -2.778 1.00 0.61 C ATOM 460 NE2 HIS A2077 10.032 -8.064 -2.589 1.00 0.80 N ATOM 0 H HIS A2077 12.353 -6.284 -5.578 1.00 0.51 H new ATOM 0 HA HIS A2077 14.040 -8.554 -6.378 1.00 0.66 H new ATOM 0 HB2 HIS A2077 13.668 -9.423 -4.258 1.00 0.81 H new ATOM 0 HB3 HIS A2077 13.787 -7.698 -3.970 1.00 0.81 H new ATOM 0 HD1 HIS A2077 11.453 -10.592 -3.738 1.00 0.54 H new ATOM 0 HD2 HIS A2077 11.379 -6.450 -3.193 1.00 0.74 H new ATOM 0 HE1 HIS A2077 9.342 -10.082 -2.434 1.00 0.61 H new ATOM 469 N HIS A2078 10.904 -8.284 -6.933 1.00 0.62 N ATOM 470 CA HIS A2078 9.719 -8.854 -7.577 1.00 0.69 C ATOM 471 C HIS A2078 8.911 -9.743 -6.639 1.00 0.80 C ATOM 472 O HIS A2078 9.421 -10.239 -5.644 1.00 1.56 O ATOM 473 CB HIS A2078 10.071 -9.606 -8.861 1.00 0.81 C ATOM 474 CG HIS A2078 10.404 -8.694 -9.998 1.00 0.88 C ATOM 475 ND1 HIS A2078 9.449 -7.986 -10.696 1.00 0.93 N ATOM 476 CD2 HIS A2078 11.595 -8.352 -10.542 1.00 0.96 C ATOM 477 CE1 HIS A2078 10.038 -7.247 -11.615 1.00 1.03 C ATOM 478 NE2 HIS A2078 11.339 -7.451 -11.543 1.00 1.05 N ATOM 0 H HIS A2078 10.839 -7.278 -6.779 1.00 0.62 H new ATOM 0 HA HIS A2078 9.089 -8.006 -7.844 1.00 0.69 H new ATOM 0 HB2 HIS A2078 10.919 -10.264 -8.670 1.00 0.81 H new ATOM 0 HB3 HIS A2078 9.232 -10.241 -9.145 1.00 0.81 H new ATOM 0 HD2 HIS A2078 12.565 -8.720 -10.243 1.00 0.96 H new ATOM 0 HE1 HIS A2078 9.540 -6.587 -12.309 1.00 1.03 H new ATOM 0 HE2 HIS A2078 12.041 -7.010 -12.136 1.00 1.05 H new ATOM 487 N THR A2079 7.648 -9.920 -7.020 1.00 0.64 N ATOM 488 CA THR A2079 6.586 -10.592 -6.254 1.00 0.67 C ATOM 489 C THR A2079 6.478 -10.176 -4.777 1.00 0.44 C ATOM 490 O THR A2079 7.458 -9.991 -4.056 1.00 0.54 O ATOM 491 CB THR A2079 6.580 -12.139 -6.341 1.00 1.02 C ATOM 492 OG1 THR A2079 5.507 -12.697 -5.570 1.00 1.82 O ATOM 493 CG2 THR A2079 7.860 -12.715 -5.835 1.00 0.59 C ATOM 0 H THR A2079 7.313 -9.581 -7.922 1.00 0.64 H new ATOM 0 HA THR A2079 5.704 -10.222 -6.777 1.00 0.67 H new ATOM 0 HB THR A2079 6.452 -12.391 -7.394 1.00 1.02 H new ATOM 0 HG1 THR A2079 5.525 -13.674 -5.643 1.00 1.82 H new ATOM 0 HG21 THR A2079 7.824 -13.802 -5.909 1.00 0.59 H new ATOM 0 HG22 THR A2079 8.690 -12.337 -6.432 1.00 0.59 H new ATOM 0 HG23 THR A2079 8.002 -12.427 -4.793 1.00 0.59 H new ATOM 501 N PRO A2080 5.238 -10.071 -4.312 1.00 0.29 N ATOM 502 CA PRO A2080 4.892 -9.689 -2.951 1.00 0.32 C ATOM 503 C PRO A2080 4.900 -10.883 -2.009 1.00 0.45 C ATOM 504 O PRO A2080 4.600 -10.758 -0.818 1.00 0.51 O ATOM 505 CB PRO A2080 3.461 -9.153 -3.090 1.00 0.39 C ATOM 506 CG PRO A2080 3.084 -9.346 -4.523 1.00 0.39 C ATOM 507 CD PRO A2080 4.046 -10.344 -5.086 1.00 0.32 C ATOM 0 HA PRO A2080 5.600 -8.972 -2.534 1.00 0.32 H new ATOM 0 HB2 PRO A2080 2.778 -9.690 -2.432 1.00 0.39 H new ATOM 0 HB3 PRO A2080 3.410 -8.100 -2.812 1.00 0.39 H new ATOM 0 HG2 PRO A2080 2.058 -9.705 -4.609 1.00 0.39 H new ATOM 0 HG3 PRO A2080 3.139 -8.404 -5.069 1.00 0.39 H new ATOM 0 HD2 PRO A2080 3.698 -11.368 -4.954 1.00 0.32 H new ATOM 0 HD3 PRO A2080 4.209 -10.198 -6.154 1.00 0.32 H new ATOM 515 N GLU A2081 5.246 -12.040 -2.554 1.00 0.53 N ATOM 516 CA GLU A2081 5.227 -13.286 -1.802 1.00 0.64 C ATOM 517 C GLU A2081 6.294 -13.284 -0.708 1.00 0.56 C ATOM 518 O GLU A2081 6.221 -14.059 0.247 1.00 0.70 O ATOM 519 CB GLU A2081 5.446 -14.472 -2.749 1.00 0.84 C ATOM 520 CG GLU A2081 6.890 -14.653 -3.185 1.00 0.93 C ATOM 521 CD GLU A2081 7.085 -15.863 -4.074 1.00 1.28 C ATOM 522 OE1 GLU A2081 6.698 -15.800 -5.259 1.00 1.54 O ATOM 523 OE2 GLU A2081 7.625 -16.882 -3.595 1.00 1.45 O ATOM 0 H GLU A2081 5.546 -12.142 -3.524 1.00 0.53 H new ATOM 0 HA GLU A2081 4.252 -13.382 -1.324 1.00 0.64 H new ATOM 0 HB2 GLU A2081 5.108 -15.384 -2.257 1.00 0.84 H new ATOM 0 HB3 GLU A2081 4.824 -14.338 -3.634 1.00 0.84 H new ATOM 0 HG2 GLU A2081 7.219 -13.760 -3.716 1.00 0.93 H new ATOM 0 HG3 GLU A2081 7.522 -14.750 -2.302 1.00 0.93 H new ATOM 530 N SER A2082 7.267 -12.393 -0.842 1.00 0.43 N ATOM 531 CA SER A2082 8.406 -12.363 0.061 1.00 0.43 C ATOM 532 C SER A2082 8.404 -11.076 0.883 1.00 0.33 C ATOM 533 O SER A2082 9.430 -10.665 1.423 1.00 0.38 O ATOM 534 CB SER A2082 9.700 -12.479 -0.747 1.00 0.54 C ATOM 535 OG SER A2082 10.804 -12.832 0.074 1.00 0.63 O ATOM 0 H SER A2082 7.289 -11.680 -1.571 1.00 0.43 H new ATOM 0 HA SER A2082 8.337 -13.205 0.750 1.00 0.43 H new ATOM 0 HB2 SER A2082 9.574 -13.228 -1.529 1.00 0.54 H new ATOM 0 HB3 SER A2082 9.905 -11.531 -1.244 1.00 0.54 H new ATOM 0 HG SER A2082 10.835 -12.239 0.854 1.00 0.63 H new ATOM 541 N ILE A2083 7.246 -10.438 0.972 1.00 0.25 N ATOM 542 CA ILE A2083 7.126 -9.182 1.705 1.00 0.17 C ATOM 543 C ILE A2083 6.649 -9.434 3.128 1.00 0.15 C ATOM 544 O ILE A2083 5.600 -10.045 3.341 1.00 0.22 O ATOM 545 CB ILE A2083 6.149 -8.216 1.003 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.539 -8.046 -0.461 1.00 0.18 C ATOM 547 CG2 ILE A2083 6.128 -6.859 1.701 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.807 -7.258 -0.660 1.00 0.22 C ATOM 0 H ILE A2083 6.378 -10.766 0.548 1.00 0.25 H new ATOM 0 HA ILE A2083 8.115 -8.724 1.730 1.00 0.17 H new ATOM 0 HB ILE A2083 5.148 -8.644 1.058 1.00 0.13 H new ATOM 0 HG12 ILE A2083 6.658 -9.031 -0.913 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.726 -7.549 -0.990 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.432 -6.196 1.187 1.00 0.12 H new ATOM 0 HG22 ILE A2083 5.810 -6.987 2.736 1.00 0.12 H new ATOM 0 HG23 ILE A2083 7.127 -6.423 1.679 1.00 0.12 H new ATOM 0 HD11 ILE A2083 8.022 -7.178 -1.726 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.685 -6.260 -0.238 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.633 -7.765 -0.161 1.00 0.22 H new ATOM 560 N SER A2084 7.432 -8.979 4.093 1.00 0.14 N ATOM 561 CA SER A2084 7.082 -9.110 5.498 1.00 0.14 C ATOM 562 C SER A2084 6.313 -7.879 5.967 1.00 0.12 C ATOM 563 O SER A2084 6.888 -6.798 6.090 1.00 0.12 O ATOM 564 CB SER A2084 8.353 -9.281 6.333 1.00 0.19 C ATOM 565 OG SER A2084 9.159 -10.334 5.826 1.00 0.28 O ATOM 0 H SER A2084 8.323 -8.511 3.926 1.00 0.14 H new ATOM 0 HA SER A2084 6.448 -9.988 5.625 1.00 0.14 H new ATOM 0 HB2 SER A2084 8.921 -8.351 6.331 1.00 0.19 H new ATOM 0 HB3 SER A2084 8.086 -9.490 7.369 1.00 0.19 H new ATOM 0 HG SER A2084 9.966 -10.422 6.375 1.00 0.28 H new ATOM 571 N PRO A2085 5.001 -8.020 6.228 1.00 0.12 N ATOM 572 CA PRO A2085 4.160 -6.902 6.658 1.00 0.12 C ATOM 573 C PRO A2085 4.553 -6.371 8.019 1.00 0.12 C ATOM 574 O PRO A2085 4.335 -5.196 8.323 1.00 0.13 O ATOM 575 CB PRO A2085 2.752 -7.484 6.721 1.00 0.15 C ATOM 576 CG PRO A2085 2.935 -8.962 6.799 1.00 0.15 C ATOM 577 CD PRO A2085 4.239 -9.274 6.118 1.00 0.14 C ATOM 0 HA PRO A2085 4.254 -6.060 5.972 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.211 -7.109 7.590 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.173 -7.206 5.840 1.00 0.15 H new ATOM 0 HG2 PRO A2085 2.951 -9.295 7.837 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.110 -9.480 6.310 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.757 -10.101 6.605 1.00 0.14 H new ATOM 0 HD3 PRO A2085 4.088 -9.561 5.077 1.00 0.14 H new ATOM 585 N ALA A2086 5.117 -7.242 8.835 1.00 0.11 N ATOM 586 CA ALA A2086 5.515 -6.861 10.175 1.00 0.12 C ATOM 587 C ALA A2086 6.806 -6.054 10.160 1.00 0.11 C ATOM 588 O ALA A2086 7.020 -5.202 11.023 1.00 0.14 O ATOM 589 CB ALA A2086 5.669 -8.089 11.055 1.00 0.14 C ATOM 0 H ALA A2086 5.309 -8.214 8.594 1.00 0.11 H new ATOM 0 HA ALA A2086 4.729 -6.230 10.589 1.00 0.12 H new ATOM 0 HB1 ALA A2086 5.968 -7.783 12.057 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.719 -8.621 11.106 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.430 -8.745 10.634 1.00 0.14 H new ATOM 595 N THR A2087 7.664 -6.318 9.184 1.00 0.10 N ATOM 596 CA THR A2087 8.882 -5.552 9.043 1.00 0.11 C ATOM 597 C THR A2087 8.568 -4.209 8.430 1.00 0.10 C ATOM 598 O THR A2087 7.674 -4.075 7.593 1.00 0.10 O ATOM 599 CB THR A2087 9.921 -6.259 8.163 1.00 0.14 C ATOM 600 OG1 THR A2087 10.194 -7.568 8.681 1.00 0.16 O ATOM 601 CG2 THR A2087 11.219 -5.451 8.066 1.00 0.16 C ATOM 0 H THR A2087 7.536 -7.051 8.487 1.00 0.10 H new ATOM 0 HA THR A2087 9.304 -5.438 10.041 1.00 0.11 H new ATOM 0 HB THR A2087 9.506 -6.346 7.159 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.857 -8.013 8.113 1.00 0.16 H new ATOM 0 HG21 THR A2087 11.932 -5.982 7.435 1.00 0.16 H new ATOM 0 HG22 THR A2087 11.008 -4.474 7.632 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.642 -5.322 9.062 1.00 0.16 H new ATOM 609 N ALA A2088 9.320 -3.231 8.845 1.00 0.12 N ATOM 610 CA ALA A2088 9.133 -1.880 8.380 1.00 0.12 C ATOM 611 C ALA A2088 9.826 -1.692 7.053 1.00 0.11 C ATOM 612 O ALA A2088 10.891 -2.261 6.818 1.00 0.12 O ATOM 613 CB ALA A2088 9.644 -0.885 9.404 1.00 0.15 C ATOM 0 H ALA A2088 10.081 -3.344 9.515 1.00 0.12 H new ATOM 0 HA ALA A2088 8.067 -1.699 8.244 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.493 0.129 9.033 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.100 -1.014 10.340 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.707 -1.054 9.576 1.00 0.15 H new ATOM 619 N PHE A2089 9.204 -0.910 6.190 1.00 0.10 N ATOM 620 CA PHE A2089 9.740 -0.637 4.858 1.00 0.09 C ATOM 621 C PHE A2089 11.207 -0.259 4.898 1.00 0.09 C ATOM 622 O PHE A2089 11.982 -0.665 4.031 1.00 0.12 O ATOM 623 CB PHE A2089 8.957 0.486 4.208 1.00 0.09 C ATOM 624 CG PHE A2089 7.637 0.043 3.680 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.561 -0.878 2.657 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.468 0.561 4.207 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.340 -1.279 2.169 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.244 0.163 3.723 1.00 0.12 C ATOM 629 CZ PHE A2089 5.196 -0.797 2.699 1.00 0.10 C ATOM 0 H PHE A2089 8.317 -0.446 6.386 1.00 0.10 H new ATOM 0 HA PHE A2089 9.643 -1.554 4.277 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.803 1.283 4.936 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.545 0.908 3.393 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.467 -1.287 2.236 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.517 1.285 5.007 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.296 -1.986 1.354 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.333 0.582 4.124 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.242 -1.150 2.335 1.00 0.10 H new ATOM 639 N LYS A2090 11.570 0.528 5.893 1.00 0.12 N ATOM 640 CA LYS A2090 12.947 0.893 6.123 1.00 0.16 C ATOM 641 C LYS A2090 13.846 -0.338 6.094 1.00 0.17 C ATOM 642 O LYS A2090 14.736 -0.461 5.252 1.00 0.20 O ATOM 643 CB LYS A2090 13.060 1.551 7.489 1.00 0.21 C ATOM 644 CG LYS A2090 14.466 1.972 7.826 1.00 0.29 C ATOM 645 CD LYS A2090 14.873 3.148 6.980 1.00 0.38 C ATOM 646 CE LYS A2090 14.215 4.418 7.470 1.00 1.54 C ATOM 647 NZ LYS A2090 14.542 5.590 6.616 1.00 1.69 N ATOM 0 H LYS A2090 10.915 0.931 6.563 1.00 0.12 H new ATOM 0 HA LYS A2090 13.264 1.578 5.337 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.408 2.424 7.520 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.702 0.858 8.250 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.532 2.234 8.882 1.00 0.29 H new ATOM 0 HG3 LYS A2090 15.152 1.141 7.661 1.00 0.29 H new ATOM 0 HD2 LYS A2090 15.957 3.262 7.006 1.00 0.38 H new ATOM 0 HD3 LYS A2090 14.596 2.967 5.941 1.00 0.38 H new ATOM 0 HE2 LYS A2090 13.134 4.279 7.493 1.00 1.54 H new ATOM 0 HE3 LYS A2090 14.533 4.617 8.493 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 14.068 6.436 6.992 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 15.571 5.741 6.614 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 14.216 5.413 5.644 1.00 1.69 H new ATOM 661 N ASP A2091 13.579 -1.246 7.022 1.00 0.17 N ATOM 662 CA ASP A2091 14.344 -2.482 7.165 1.00 0.20 C ATOM 663 C ASP A2091 14.222 -3.377 5.930 1.00 0.20 C ATOM 664 O ASP A2091 15.029 -4.281 5.722 1.00 0.32 O ATOM 665 CB ASP A2091 13.875 -3.249 8.402 1.00 0.24 C ATOM 666 CG ASP A2091 14.046 -2.454 9.679 1.00 1.23 C ATOM 667 OD1 ASP A2091 13.216 -1.561 9.941 1.00 2.27 O ATOM 668 OD2 ASP A2091 15.008 -2.722 10.434 1.00 1.15 O ATOM 0 H ASP A2091 12.824 -1.148 7.700 1.00 0.17 H new ATOM 0 HA ASP A2091 15.392 -2.205 7.276 1.00 0.20 H new ATOM 0 HB2 ASP A2091 12.825 -3.517 8.283 1.00 0.24 H new ATOM 0 HB3 ASP A2091 14.435 -4.181 8.481 1.00 0.24 H new ATOM 673 N LEU A2092 13.199 -3.129 5.125 1.00 0.16 N ATOM 674 CA LEU A2092 12.961 -3.898 3.914 1.00 0.18 C ATOM 675 C LEU A2092 13.790 -3.386 2.739 1.00 0.19 C ATOM 676 O LEU A2092 13.961 -4.089 1.741 1.00 0.24 O ATOM 677 CB LEU A2092 11.470 -3.865 3.583 1.00 0.17 C ATOM 678 CG LEU A2092 10.596 -4.545 4.632 1.00 0.19 C ATOM 679 CD1 LEU A2092 9.122 -4.340 4.359 1.00 0.18 C ATOM 680 CD2 LEU A2092 10.918 -6.020 4.683 1.00 0.23 C ATOM 0 H LEU A2092 12.514 -2.392 5.292 1.00 0.16 H new ATOM 0 HA LEU A2092 13.274 -4.927 4.092 1.00 0.18 H new ATOM 0 HB2 LEU A2092 11.153 -2.828 3.475 1.00 0.17 H new ATOM 0 HB3 LEU A2092 11.310 -4.349 2.620 1.00 0.17 H new ATOM 0 HG LEU A2092 10.814 -4.088 5.597 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.536 -4.841 5.130 1.00 0.18 H new ATOM 0 HD12 LEU A2092 8.895 -3.274 4.366 1.00 0.18 H new ATOM 0 HD13 LEU A2092 8.871 -4.758 3.384 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.292 -6.503 5.433 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.727 -6.468 3.708 1.00 0.23 H new ATOM 0 HD23 LEU A2092 11.968 -6.154 4.945 1.00 0.23 H new ATOM 692 N GLY A2093 14.312 -2.174 2.860 1.00 0.16 N ATOM 693 CA GLY A2093 15.153 -1.632 1.811 1.00 0.18 C ATOM 694 C GLY A2093 14.579 -0.386 1.173 1.00 0.15 C ATOM 695 O GLY A2093 15.096 0.090 0.163 1.00 0.20 O ATOM 0 H GLY A2093 14.170 -1.559 3.661 1.00 0.16 H new ATOM 0 HA2 GLY A2093 16.135 -1.402 2.224 1.00 0.18 H new ATOM 0 HA3 GLY A2093 15.300 -2.391 1.043 1.00 0.18 H new ATOM 699 N ILE A2094 13.505 0.135 1.741 1.00 0.13 N ATOM 700 CA ILE A2094 12.870 1.326 1.214 1.00 0.12 C ATOM 701 C ILE A2094 13.696 2.586 1.473 1.00 0.12 C ATOM 702 O ILE A2094 14.092 2.866 2.609 1.00 0.16 O ATOM 703 CB ILE A2094 11.459 1.459 1.812 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.511 0.535 1.054 1.00 0.18 C ATOM 705 CG2 ILE A2094 10.969 2.895 1.795 1.00 0.18 C ATOM 706 CD1 ILE A2094 10.101 1.069 -0.295 1.00 0.32 C ATOM 0 H ILE A2094 13.055 -0.252 2.570 1.00 0.13 H new ATOM 0 HA ILE A2094 12.798 1.222 0.131 1.00 0.12 H new ATOM 0 HB ILE A2094 11.491 1.162 2.860 1.00 0.12 H new ATOM 0 HG12 ILE A2094 10.990 -0.435 0.922 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.618 0.370 1.657 1.00 0.18 H new ATOM 0 HG21 ILE A2094 9.969 2.943 2.226 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.647 3.518 2.379 1.00 0.18 H new ATOM 0 HG23 ILE A2094 10.939 3.257 0.767 1.00 0.18 H new ATOM 0 HD11 ILE A2094 9.427 0.361 -0.777 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.593 2.025 -0.169 1.00 0.32 H new ATOM 0 HD13 ILE A2094 10.986 1.208 -0.916 1.00 0.32 H new ATOM 718 N ASP A2095 13.960 3.331 0.405 1.00 0.15 N ATOM 719 CA ASP A2095 14.646 4.613 0.511 1.00 0.19 C ATOM 720 C ASP A2095 13.624 5.740 0.450 1.00 0.16 C ATOM 721 O ASP A2095 12.434 5.473 0.327 1.00 0.17 O ATOM 722 CB ASP A2095 15.683 4.783 -0.605 1.00 0.28 C ATOM 723 CG ASP A2095 16.888 3.878 -0.438 1.00 1.04 C ATOM 724 OD1 ASP A2095 17.710 4.130 0.467 1.00 1.23 O ATOM 725 OD2 ASP A2095 17.015 2.902 -1.211 1.00 1.86 O ATOM 0 H ASP A2095 13.708 3.067 -0.548 1.00 0.15 H new ATOM 0 HA ASP A2095 15.174 4.645 1.464 1.00 0.19 H new ATOM 0 HB2 ASP A2095 15.211 4.577 -1.566 1.00 0.28 H new ATOM 0 HB3 ASP A2095 16.016 5.821 -0.629 1.00 0.28 H new ATOM 730 N SER A2096 14.064 6.987 0.517 1.00 0.19 N ATOM 731 CA SER A2096 13.134 8.114 0.502 1.00 0.20 C ATOM 732 C SER A2096 12.452 8.246 -0.861 1.00 0.17 C ATOM 733 O SER A2096 11.303 8.683 -0.955 1.00 0.20 O ATOM 734 CB SER A2096 13.860 9.412 0.856 1.00 0.26 C ATOM 735 OG SER A2096 14.521 9.298 2.106 1.00 1.32 O ATOM 0 H SER A2096 15.048 7.247 0.582 1.00 0.19 H new ATOM 0 HA SER A2096 12.366 7.925 1.252 1.00 0.20 H new ATOM 0 HB2 SER A2096 14.584 9.652 0.078 1.00 0.26 H new ATOM 0 HB3 SER A2096 13.146 10.235 0.891 1.00 0.26 H new ATOM 0 HG SER A2096 14.980 10.139 2.311 1.00 1.32 H new ATOM 741 N LEU A2097 13.160 7.851 -1.912 1.00 0.17 N ATOM 742 CA LEU A2097 12.622 7.900 -3.263 1.00 0.19 C ATOM 743 C LEU A2097 11.565 6.842 -3.426 1.00 0.18 C ATOM 744 O LEU A2097 10.436 7.124 -3.803 1.00 0.24 O ATOM 745 CB LEU A2097 13.727 7.655 -4.280 1.00 0.23 C ATOM 746 CG LEU A2097 14.955 8.545 -4.136 1.00 1.07 C ATOM 747 CD1 LEU A2097 15.998 8.184 -5.180 1.00 1.61 C ATOM 748 CD2 LEU A2097 14.576 10.015 -4.243 1.00 1.55 C ATOM 0 H LEU A2097 14.113 7.492 -1.852 1.00 0.17 H new ATOM 0 HA LEU A2097 12.190 8.887 -3.430 1.00 0.19 H new ATOM 0 HB2 LEU A2097 14.042 6.614 -4.205 1.00 0.23 H new ATOM 0 HB3 LEU A2097 13.315 7.792 -5.280 1.00 0.23 H new ATOM 0 HG LEU A2097 15.383 8.378 -3.147 1.00 1.07 H new ATOM 0 HD11 LEU A2097 16.869 8.829 -5.063 1.00 1.61 H new ATOM 0 HD12 LEU A2097 16.297 7.144 -5.051 1.00 1.61 H new ATOM 0 HD13 LEU A2097 15.577 8.319 -6.176 1.00 1.61 H new ATOM 0 HD21 LEU A2097 15.470 10.630 -4.137 1.00 1.55 H new ATOM 0 HD22 LEU A2097 14.119 10.203 -5.215 1.00 1.55 H new ATOM 0 HD23 LEU A2097 13.867 10.266 -3.454 1.00 1.55 H new ATOM 760 N THR A2098 11.940 5.620 -3.129 1.00 0.14 N ATOM 761 CA THR A2098 11.022 4.511 -3.256 1.00 0.15 C ATOM 762 C THR A2098 9.886 4.570 -2.250 1.00 0.16 C ATOM 763 O THR A2098 8.810 4.028 -2.495 1.00 0.17 O ATOM 764 CB THR A2098 11.730 3.164 -3.196 1.00 0.15 C ATOM 765 OG1 THR A2098 12.917 3.262 -2.394 1.00 0.17 O ATOM 766 CG2 THR A2098 12.064 2.728 -4.607 1.00 0.19 C ATOM 0 H THR A2098 12.872 5.368 -2.799 1.00 0.14 H new ATOM 0 HA THR A2098 10.580 4.609 -4.248 1.00 0.15 H new ATOM 0 HB THR A2098 11.079 2.421 -2.735 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.275 2.365 -2.229 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.572 1.764 -4.579 1.00 0.19 H new ATOM 0 HG22 THR A2098 11.146 2.638 -5.187 1.00 0.19 H new ATOM 0 HG23 THR A2098 12.715 3.468 -5.072 1.00 0.19 H new ATOM 774 N ALA A2099 10.117 5.224 -1.120 1.00 0.16 N ATOM 775 CA ALA A2099 9.040 5.510 -0.185 1.00 0.18 C ATOM 776 C ALA A2099 7.970 6.349 -0.874 1.00 0.21 C ATOM 777 O ALA A2099 6.791 6.315 -0.523 1.00 0.24 O ATOM 778 CB ALA A2099 9.571 6.234 1.044 1.00 0.18 C ATOM 0 H ALA A2099 11.034 5.564 -0.831 1.00 0.16 H new ATOM 0 HA ALA A2099 8.600 4.568 0.141 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.749 6.438 1.730 1.00 0.18 H new ATOM 0 HB2 ALA A2099 10.312 5.609 1.542 1.00 0.18 H new ATOM 0 HB3 ALA A2099 10.033 7.174 0.741 1.00 0.18 H new ATOM 784 N LEU A2100 8.401 7.074 -1.886 1.00 0.20 N ATOM 785 CA LEU A2100 7.526 7.920 -2.661 1.00 0.24 C ATOM 786 C LEU A2100 6.964 7.115 -3.832 1.00 0.20 C ATOM 787 O LEU A2100 5.799 7.259 -4.200 1.00 0.21 O ATOM 788 CB LEU A2100 8.319 9.159 -3.118 1.00 0.30 C ATOM 789 CG LEU A2100 8.284 9.474 -4.610 1.00 0.24 C ATOM 790 CD1 LEU A2100 6.961 10.117 -4.989 1.00 1.03 C ATOM 791 CD2 LEU A2100 9.447 10.368 -4.994 1.00 1.15 C ATOM 0 H LEU A2100 9.374 7.091 -2.193 1.00 0.20 H new ATOM 0 HA LEU A2100 6.679 8.267 -2.070 1.00 0.24 H new ATOM 0 HB2 LEU A2100 7.940 10.026 -2.577 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.359 9.027 -2.821 1.00 0.30 H new ATOM 0 HG LEU A2100 8.378 8.539 -5.162 1.00 0.24 H new ATOM 0 HD11 LEU A2100 6.955 10.334 -6.057 1.00 1.03 H new ATOM 0 HD12 LEU A2100 6.144 9.435 -4.753 1.00 1.03 H new ATOM 0 HD13 LEU A2100 6.833 11.044 -4.429 1.00 1.03 H new ATOM 0 HD21 LEU A2100 9.405 10.581 -6.062 1.00 1.15 H new ATOM 0 HD22 LEU A2100 9.388 11.302 -4.435 1.00 1.15 H new ATOM 0 HD23 LEU A2100 10.385 9.864 -4.762 1.00 1.15 H new ATOM 803 N GLU A2101 7.797 6.233 -4.380 1.00 0.21 N ATOM 804 CA GLU A2101 7.416 5.395 -5.511 1.00 0.20 C ATOM 805 C GLU A2101 6.353 4.378 -5.119 1.00 0.17 C ATOM 806 O GLU A2101 5.490 4.036 -5.924 1.00 0.17 O ATOM 807 CB GLU A2101 8.648 4.690 -6.059 1.00 0.23 C ATOM 808 CG GLU A2101 9.766 5.656 -6.381 1.00 0.28 C ATOM 809 CD GLU A2101 10.907 5.021 -7.139 1.00 0.33 C ATOM 810 OE1 GLU A2101 12.075 5.252 -6.764 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.644 4.264 -8.095 1.00 0.45 O ATOM 0 H GLU A2101 8.751 6.081 -4.053 1.00 0.21 H new ATOM 0 HA GLU A2101 6.988 6.034 -6.283 1.00 0.20 H new ATOM 0 HB2 GLU A2101 9.000 3.960 -5.330 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.378 4.138 -6.959 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.365 6.482 -6.968 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.148 6.081 -5.453 1.00 0.28 H new ATOM 818 N LEU A2102 6.423 3.886 -3.889 1.00 0.16 N ATOM 819 CA LEU A2102 5.370 3.047 -3.355 1.00 0.16 C ATOM 820 C LEU A2102 4.056 3.768 -3.423 1.00 0.16 C ATOM 821 O LEU A2102 3.114 3.321 -4.069 1.00 0.21 O ATOM 822 CB LEU A2102 5.652 2.702 -1.908 1.00 0.22 C ATOM 823 CG LEU A2102 6.715 1.649 -1.691 1.00 0.53 C ATOM 824 CD1 LEU A2102 6.605 1.094 -0.298 1.00 1.09 C ATOM 825 CD2 LEU A2102 6.575 0.550 -2.715 1.00 1.13 C ATOM 0 H LEU A2102 7.198 4.055 -3.247 1.00 0.16 H new ATOM 0 HA LEU A2102 5.329 2.134 -3.949 1.00 0.16 H new ATOM 0 HB2 LEU A2102 5.952 3.611 -1.387 1.00 0.22 H new ATOM 0 HB3 LEU A2102 4.726 2.361 -1.446 1.00 0.22 H new ATOM 0 HG LEU A2102 7.699 2.103 -1.809 1.00 0.53 H new ATOM 0 HD11 LEU A2102 7.373 0.336 -0.147 1.00 1.09 H new ATOM 0 HD12 LEU A2102 6.741 1.898 0.426 1.00 1.09 H new ATOM 0 HD13 LEU A2102 5.621 0.646 -0.162 1.00 1.09 H new ATOM 0 HD21 LEU A2102 7.346 -0.203 -2.549 1.00 1.13 H new ATOM 0 HD22 LEU A2102 5.592 0.089 -2.622 1.00 1.13 H new ATOM 0 HD23 LEU A2102 6.686 0.968 -3.715 1.00 1.13 H new ATOM 837 N ARG A2103 4.020 4.889 -2.736 1.00 0.18 N ATOM 838 CA ARG A2103 2.880 5.775 -2.749 1.00 0.25 C ATOM 839 C ARG A2103 2.424 6.063 -4.180 1.00 0.22 C ATOM 840 O ARG A2103 1.226 6.111 -4.453 1.00 0.24 O ATOM 841 CB ARG A2103 3.259 7.063 -2.011 1.00 0.37 C ATOM 842 CG ARG A2103 2.329 8.233 -2.254 1.00 0.72 C ATOM 843 CD ARG A2103 2.785 9.081 -3.434 1.00 0.65 C ATOM 844 NE ARG A2103 1.924 10.240 -3.640 1.00 1.21 N ATOM 845 CZ ARG A2103 1.975 11.029 -4.710 1.00 1.49 C ATOM 846 NH1 ARG A2103 2.812 10.765 -5.704 1.00 1.92 N ATOM 847 NH2 ARG A2103 1.173 12.077 -4.790 1.00 2.11 N ATOM 0 H ARG A2103 4.788 5.212 -2.148 1.00 0.18 H new ATOM 0 HA ARG A2103 2.039 5.302 -2.242 1.00 0.25 H new ATOM 0 HB2 ARG A2103 3.288 6.857 -0.941 1.00 0.37 H new ATOM 0 HB3 ARG A2103 4.267 7.351 -2.307 1.00 0.37 H new ATOM 0 HG2 ARG A2103 1.321 7.863 -2.440 1.00 0.72 H new ATOM 0 HG3 ARG A2103 2.282 8.852 -1.358 1.00 0.72 H new ATOM 0 HD2 ARG A2103 3.809 9.415 -3.266 1.00 0.65 H new ATOM 0 HD3 ARG A2103 2.793 8.471 -4.337 1.00 0.65 H new ATOM 0 HE ARG A2103 1.239 10.460 -2.917 1.00 1.21 H new ATOM 0 HH11 ARG A2103 3.424 9.951 -5.653 1.00 1.92 H new ATOM 0 HH12 ARG A2103 2.844 11.376 -6.520 1.00 1.92 H new ATOM 0 HH21 ARG A2103 0.519 12.278 -4.033 1.00 2.11 H new ATOM 0 HH22 ARG A2103 1.208 12.685 -5.608 1.00 2.11 H new ATOM 861 N ASN A2104 3.387 6.252 -5.081 1.00 0.21 N ATOM 862 CA ASN A2104 3.099 6.465 -6.498 1.00 0.22 C ATOM 863 C ASN A2104 2.218 5.346 -7.043 1.00 0.23 C ATOM 864 O ASN A2104 1.143 5.598 -7.586 1.00 0.29 O ATOM 865 CB ASN A2104 4.403 6.549 -7.308 1.00 0.23 C ATOM 866 CG ASN A2104 5.093 7.891 -7.184 1.00 0.31 C ATOM 867 OD1 ASN A2104 4.468 8.895 -6.850 1.00 0.40 O ATOM 868 ND2 ASN A2104 6.384 7.925 -7.488 1.00 0.36 N ATOM 0 H ASN A2104 4.381 6.262 -4.852 1.00 0.21 H new ATOM 0 HA ASN A2104 2.564 7.409 -6.596 1.00 0.22 H new ATOM 0 HB2 ASN A2104 5.083 5.765 -6.974 1.00 0.23 H new ATOM 0 HB3 ASN A2104 4.185 6.355 -8.358 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.894 8.807 -7.449 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.866 7.069 -7.761 1.00 0.36 H new ATOM 875 N THR A2105 2.667 4.112 -6.870 1.00 0.21 N ATOM 876 CA THR A2105 1.919 2.952 -7.327 1.00 0.24 C ATOM 877 C THR A2105 0.631 2.770 -6.514 1.00 0.22 C ATOM 878 O THR A2105 -0.419 2.435 -7.061 1.00 0.24 O ATOM 879 CB THR A2105 2.786 1.681 -7.224 1.00 0.28 C ATOM 880 OG1 THR A2105 4.041 1.896 -7.886 1.00 0.33 O ATOM 881 CG2 THR A2105 2.082 0.486 -7.848 1.00 0.28 C ATOM 0 H THR A2105 3.551 3.888 -6.413 1.00 0.21 H new ATOM 0 HA THR A2105 1.648 3.118 -8.370 1.00 0.24 H new ATOM 0 HB THR A2105 2.955 1.469 -6.168 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.606 2.477 -7.335 1.00 0.33 H new ATOM 0 HG21 THR A2105 2.716 -0.396 -7.761 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.140 0.308 -7.330 1.00 0.28 H new ATOM 0 HG23 THR A2105 1.885 0.689 -8.901 1.00 0.28 H new ATOM 889 N LEU A2106 0.727 3.015 -5.212 1.00 0.20 N ATOM 890 CA LEU A2106 -0.400 2.872 -4.287 1.00 0.19 C ATOM 891 C LEU A2106 -1.561 3.792 -4.648 1.00 0.18 C ATOM 892 O LEU A2106 -2.685 3.333 -4.856 1.00 0.22 O ATOM 893 CB LEU A2106 0.062 3.184 -2.861 1.00 0.28 C ATOM 894 CG LEU A2106 0.489 1.988 -2.008 1.00 0.50 C ATOM 895 CD1 LEU A2106 1.395 1.045 -2.782 1.00 1.25 C ATOM 896 CD2 LEU A2106 1.188 2.467 -0.747 1.00 1.47 C ATOM 0 H LEU A2106 1.591 3.320 -4.763 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.752 1.843 -4.359 1.00 0.19 H new ATOM 0 HB2 LEU A2106 0.899 3.880 -2.918 1.00 0.28 H new ATOM 0 HB3 LEU A2106 -0.747 3.700 -2.345 1.00 0.28 H new ATOM 0 HG LEU A2106 -0.410 1.437 -1.734 1.00 0.50 H new ATOM 0 HD11 LEU A2106 1.678 0.207 -2.144 1.00 1.25 H new ATOM 0 HD12 LEU A2106 0.867 0.671 -3.659 1.00 1.25 H new ATOM 0 HD13 LEU A2106 2.291 1.579 -3.098 1.00 1.25 H new ATOM 0 HD21 LEU A2106 1.487 1.607 -0.148 1.00 1.47 H new ATOM 0 HD22 LEU A2106 2.071 3.046 -1.018 1.00 1.47 H new ATOM 0 HD23 LEU A2106 0.508 3.093 -0.169 1.00 1.47 H new ATOM 908 N THR A2107 -1.291 5.089 -4.721 1.00 0.19 N ATOM 909 CA THR A2107 -2.339 6.070 -4.954 1.00 0.27 C ATOM 910 C THR A2107 -2.891 5.930 -6.373 1.00 0.29 C ATOM 911 O THR A2107 -4.058 6.226 -6.635 1.00 0.33 O ATOM 912 CB THR A2107 -1.832 7.511 -4.685 1.00 0.37 C ATOM 913 OG1 THR A2107 -2.931 8.407 -4.527 1.00 0.67 O ATOM 914 CG2 THR A2107 -0.936 8.022 -5.799 1.00 0.44 C ATOM 0 H THR A2107 -0.356 5.484 -4.622 1.00 0.19 H new ATOM 0 HA THR A2107 -3.150 5.878 -4.252 1.00 0.27 H new ATOM 0 HB THR A2107 -1.247 7.470 -3.766 1.00 0.37 H new ATOM 0 HG1 THR A2107 -3.623 8.196 -5.188 1.00 0.67 H new ATOM 0 HG21 THR A2107 -0.606 9.034 -5.565 1.00 0.44 H new ATOM 0 HG22 THR A2107 -0.067 7.371 -5.895 1.00 0.44 H new ATOM 0 HG23 THR A2107 -1.490 8.028 -6.738 1.00 0.44 H new ATOM 922 N HIS A2108 -2.043 5.451 -7.277 1.00 0.29 N ATOM 923 CA HIS A2108 -2.443 5.168 -8.649 1.00 0.35 C ATOM 924 C HIS A2108 -3.371 3.963 -8.689 1.00 0.35 C ATOM 925 O HIS A2108 -4.411 3.978 -9.344 1.00 0.47 O ATOM 926 CB HIS A2108 -1.201 4.895 -9.489 1.00 0.38 C ATOM 927 CG HIS A2108 -1.472 4.762 -10.952 1.00 0.61 C ATOM 928 ND1 HIS A2108 -1.636 5.838 -11.793 1.00 0.71 N ATOM 929 CD2 HIS A2108 -1.602 3.661 -11.719 1.00 1.06 C ATOM 930 CE1 HIS A2108 -1.858 5.404 -13.020 1.00 1.01 C ATOM 931 NE2 HIS A2108 -1.841 4.084 -13.002 1.00 1.29 N ATOM 0 H HIS A2108 -1.063 5.249 -7.080 1.00 0.29 H new ATOM 0 HA HIS A2108 -2.975 6.029 -9.053 1.00 0.35 H new ATOM 0 HB2 HIS A2108 -0.486 5.703 -9.335 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.729 3.979 -9.133 1.00 0.38 H new ATOM 0 HD2 HIS A2108 -1.531 2.636 -11.385 1.00 1.06 H new ATOM 0 HE1 HIS A2108 -2.025 6.023 -13.889 1.00 1.01 H new ATOM 0 HE2 HIS A2108 -1.982 3.478 -13.810 1.00 1.29 H new ATOM 940 N ASN A2109 -2.971 2.925 -7.979 1.00 0.27 N ATOM 941 CA ASN A2109 -3.727 1.677 -7.921 1.00 0.28 C ATOM 942 C ASN A2109 -5.087 1.864 -7.263 1.00 0.28 C ATOM 943 O ASN A2109 -6.115 1.516 -7.838 1.00 0.36 O ATOM 944 CB ASN A2109 -2.929 0.622 -7.155 1.00 0.28 C ATOM 945 CG ASN A2109 -2.295 -0.407 -8.069 1.00 0.35 C ATOM 946 OD1 ASN A2109 -1.099 -0.116 -8.555 1.00 0.40 O flip ATOM 947 ND2 ASN A2109 -2.879 -1.454 -8.342 1.00 0.39 N flip ATOM 0 H ASN A2109 -2.115 2.918 -7.425 1.00 0.27 H new ATOM 0 HA ASN A2109 -3.895 1.347 -8.946 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.150 1.113 -6.572 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.587 0.118 -6.447 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -3.800 -1.642 -7.947 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -2.442 -2.135 -8.963 1.00 0.39 H new ATOM 954 N THR A2110 -5.091 2.468 -6.085 1.00 0.25 N ATOM 955 CA THR A2110 -6.287 2.557 -5.264 1.00 0.26 C ATOM 956 C THR A2110 -7.269 3.529 -5.887 1.00 0.27 C ATOM 957 O THR A2110 -8.487 3.359 -5.793 1.00 0.33 O ATOM 958 CB THR A2110 -5.925 3.003 -3.836 1.00 0.27 C ATOM 959 OG1 THR A2110 -5.121 4.190 -3.892 1.00 0.24 O ATOM 960 CG2 THR A2110 -5.157 1.907 -3.112 1.00 0.29 C ATOM 0 H THR A2110 -4.268 2.909 -5.673 1.00 0.25 H new ATOM 0 HA THR A2110 -6.751 1.572 -5.209 1.00 0.26 H new ATOM 0 HB THR A2110 -6.847 3.206 -3.291 1.00 0.27 H new ATOM 0 HG1 THR A2110 -4.192 3.947 -4.089 1.00 0.24 H new ATOM 0 HG21 THR A2110 -4.910 2.241 -2.104 1.00 0.29 H new ATOM 0 HG22 THR A2110 -5.771 1.008 -3.056 1.00 0.29 H new ATOM 0 HG23 THR A2110 -4.239 1.686 -3.656 1.00 0.29 H new ATOM 968 N GLY A2111 -6.713 4.525 -6.561 1.00 0.23 N ATOM 969 CA GLY A2111 -7.516 5.507 -7.240 1.00 0.26 C ATOM 970 C GLY A2111 -7.761 6.723 -6.377 1.00 0.29 C ATOM 971 O GLY A2111 -8.545 7.607 -6.722 1.00 0.36 O ATOM 0 H GLY A2111 -5.707 4.667 -6.647 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -7.019 5.809 -8.162 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -8.471 5.064 -7.523 1.00 0.26 H new ATOM 975 N LEU A2112 -7.087 6.750 -5.243 1.00 0.28 N ATOM 976 CA LEU A2112 -7.206 7.836 -4.290 1.00 0.34 C ATOM 977 C LEU A2112 -6.042 8.789 -4.443 1.00 0.29 C ATOM 978 O LEU A2112 -5.406 8.856 -5.498 1.00 0.29 O ATOM 979 CB LEU A2112 -7.211 7.282 -2.872 1.00 0.43 C ATOM 980 CG LEU A2112 -7.465 5.791 -2.753 1.00 0.33 C ATOM 981 CD1 LEU A2112 -7.072 5.336 -1.376 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.919 5.451 -3.019 1.00 0.47 C ATOM 0 H LEU A2112 -6.439 6.016 -4.956 1.00 0.28 H new ATOM 0 HA LEU A2112 -8.139 8.367 -4.480 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -6.250 7.507 -2.410 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -7.972 7.809 -2.297 1.00 0.43 H new ATOM 0 HG LEU A2112 -6.865 5.275 -3.503 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -7.251 4.265 -1.282 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -6.014 5.543 -1.213 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -7.665 5.870 -0.633 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -9.064 4.375 -2.925 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -9.551 5.967 -2.296 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.188 5.767 -4.027 1.00 0.47 H new ATOM 994 N ASP A2113 -5.790 9.536 -3.387 1.00 0.28 N ATOM 995 CA ASP A2113 -4.709 10.501 -3.361 1.00 0.28 C ATOM 996 C ASP A2113 -3.968 10.414 -2.043 1.00 0.30 C ATOM 997 O ASP A2113 -4.562 10.531 -0.968 1.00 0.35 O ATOM 998 CB ASP A2113 -5.255 11.898 -3.565 1.00 0.34 C ATOM 999 CG ASP A2113 -4.198 12.973 -3.409 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -3.286 13.045 -4.260 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -4.269 13.744 -2.433 1.00 0.43 O ATOM 0 H ASP A2113 -6.329 9.491 -2.522 1.00 0.28 H new ATOM 0 HA ASP A2113 -4.013 10.276 -4.170 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -5.694 11.969 -4.560 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -6.057 12.077 -2.849 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.674 10.212 -2.142 1.00 0.30 N ATOM 1007 CA LEU A2114 -1.839 9.918 -0.988 1.00 0.30 C ATOM 1008 C LEU A2114 -0.563 10.754 -0.990 1.00 0.30 C ATOM 1009 O LEU A2114 -0.084 11.173 -2.046 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.471 8.433 -1.002 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.659 7.475 -1.071 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -2.177 6.040 -1.165 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.561 7.669 0.139 1.00 0.91 C ATOM 0 H LEU A2114 -2.165 10.246 -3.025 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.402 10.165 -0.088 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.820 8.243 -1.856 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -0.894 8.208 -0.105 1.00 0.32 H new ATOM 0 HG LEU A2114 -3.238 7.696 -1.968 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -3.036 5.370 -1.213 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -1.571 5.918 -2.062 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -1.578 5.799 -0.287 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -4.404 6.981 0.078 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -2.996 7.471 1.050 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -3.930 8.694 0.157 1.00 0.91 H new ATOM 1025 N PRO A2115 0.000 11.000 0.202 1.00 0.29 N ATOM 1026 CA PRO A2115 1.262 11.725 0.367 1.00 0.31 C ATOM 1027 C PRO A2115 2.470 10.808 0.223 1.00 0.28 C ATOM 1028 O PRO A2115 2.390 9.613 0.503 1.00 0.25 O ATOM 1029 CB PRO A2115 1.171 12.199 1.811 1.00 0.33 C ATOM 1030 CG PRO A2115 0.478 11.075 2.493 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.558 10.597 1.513 1.00 0.30 C ATOM 0 HA PRO A2115 1.391 12.512 -0.376 1.00 0.31 H new ATOM 0 HB2 PRO A2115 2.157 12.383 2.238 1.00 0.33 H new ATOM 0 HB3 PRO A2115 0.609 13.129 1.895 1.00 0.33 H new ATOM 0 HG2 PRO A2115 1.177 10.278 2.747 1.00 0.29 H new ATOM 0 HG3 PRO A2115 0.017 11.404 3.424 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -0.702 9.518 1.574 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.528 11.059 1.696 1.00 0.30 H new ATOM 1039 N PRO A2116 3.618 11.355 -0.192 1.00 0.33 N ATOM 1040 CA PRO A2116 4.866 10.598 -0.248 1.00 0.36 C ATOM 1041 C PRO A2116 5.432 10.349 1.150 1.00 0.34 C ATOM 1042 O PRO A2116 6.454 9.686 1.310 1.00 0.43 O ATOM 1043 CB PRO A2116 5.795 11.500 -1.059 1.00 0.44 C ATOM 1044 CG PRO A2116 5.275 12.878 -0.848 1.00 0.46 C ATOM 1045 CD PRO A2116 3.789 12.747 -0.654 1.00 0.43 C ATOM 0 HA PRO A2116 4.736 9.610 -0.689 1.00 0.36 H new ATOM 0 HB2 PRO A2116 6.827 11.411 -0.719 1.00 0.44 H new ATOM 0 HB3 PRO A2116 5.783 11.231 -2.115 1.00 0.44 H new ATOM 0 HG2 PRO A2116 5.741 13.340 0.023 1.00 0.46 H new ATOM 0 HG3 PRO A2116 5.500 13.513 -1.705 1.00 0.46 H new ATOM 0 HD2 PRO A2116 3.416 13.461 0.080 1.00 0.43 H new ATOM 0 HD3 PRO A2116 3.246 12.931 -1.581 1.00 0.43 H new ATOM 1053 N THR A2117 4.753 10.886 2.160 1.00 0.27 N ATOM 1054 CA THR A2117 5.179 10.718 3.538 1.00 0.24 C ATOM 1055 C THR A2117 4.521 9.502 4.183 1.00 0.17 C ATOM 1056 O THR A2117 4.749 9.226 5.359 1.00 0.15 O ATOM 1057 CB THR A2117 4.866 11.967 4.378 1.00 0.27 C ATOM 1058 OG1 THR A2117 3.519 12.390 4.132 1.00 0.32 O ATOM 1059 CG2 THR A2117 5.833 13.096 4.054 1.00 0.36 C ATOM 0 H THR A2117 3.905 11.441 2.045 1.00 0.27 H new ATOM 0 HA THR A2117 6.258 10.566 3.515 1.00 0.24 H new ATOM 0 HB THR A2117 4.980 11.713 5.432 1.00 0.27 H new ATOM 0 HG1 THR A2117 3.322 13.185 4.670 1.00 0.32 H new ATOM 0 HG21 THR A2117 5.591 13.968 4.661 1.00 0.36 H new ATOM 0 HG22 THR A2117 6.852 12.775 4.270 1.00 0.36 H new ATOM 0 HG23 THR A2117 5.750 13.354 2.998 1.00 0.36 H new ATOM 1067 N LEU A2118 3.687 8.799 3.411 1.00 0.16 N ATOM 1068 CA LEU A2118 3.065 7.546 3.851 1.00 0.16 C ATOM 1069 C LEU A2118 4.006 6.681 4.660 1.00 0.16 C ATOM 1070 O LEU A2118 3.785 6.432 5.840 1.00 0.19 O ATOM 1071 CB LEU A2118 2.644 6.716 2.651 1.00 0.23 C ATOM 1072 CG LEU A2118 1.385 7.150 1.938 1.00 0.33 C ATOM 1073 CD1 LEU A2118 1.084 6.153 0.839 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.235 7.244 2.924 1.00 0.77 C ATOM 0 H LEU A2118 3.424 9.081 2.467 1.00 0.16 H new ATOM 0 HA LEU A2118 2.214 7.838 4.466 1.00 0.16 H new ATOM 0 HB2 LEU A2118 3.462 6.719 1.931 1.00 0.23 H new ATOM 0 HB3 LEU A2118 2.512 5.685 2.979 1.00 0.23 H new ATOM 0 HG LEU A2118 1.522 8.137 1.496 1.00 0.33 H new ATOM 0 HD11 LEU A2118 0.177 6.453 0.314 1.00 0.79 H new ATOM 0 HD12 LEU A2118 1.917 6.124 0.136 1.00 0.79 H new ATOM 0 HD13 LEU A2118 0.941 5.164 1.274 1.00 0.79 H new ATOM 0 HD21 LEU A2118 -0.668 7.558 2.401 1.00 0.77 H new ATOM 0 HD22 LEU A2118 0.069 6.269 3.383 1.00 0.77 H new ATOM 0 HD23 LEU A2118 0.478 7.973 3.698 1.00 0.77 H new ATOM 1086 N ILE A2119 5.045 6.220 3.986 1.00 0.15 N ATOM 1087 CA ILE A2119 6.014 5.291 4.559 1.00 0.18 C ATOM 1088 C ILE A2119 6.626 5.836 5.848 1.00 0.20 C ATOM 1089 O ILE A2119 7.063 5.081 6.706 1.00 0.28 O ATOM 1090 CB ILE A2119 7.156 5.007 3.565 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.626 4.851 2.132 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.938 3.770 3.980 1.00 0.24 C ATOM 1093 CD1 ILE A2119 5.533 3.820 1.947 1.00 0.20 C ATOM 0 H ILE A2119 5.245 6.479 3.020 1.00 0.15 H new ATOM 0 HA ILE A2119 5.471 4.372 4.779 1.00 0.18 H new ATOM 0 HB ILE A2119 7.828 5.865 3.583 1.00 0.19 H new ATOM 0 HG12 ILE A2119 6.250 5.817 1.796 1.00 0.19 H new ATOM 0 HG13 ILE A2119 7.461 4.590 1.481 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.739 3.589 3.264 1.00 0.24 H new ATOM 0 HG22 ILE A2119 8.365 3.925 4.971 1.00 0.24 H new ATOM 0 HG23 ILE A2119 7.271 2.909 4.003 1.00 0.24 H new ATOM 0 HD11 ILE A2119 5.233 3.792 0.900 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.904 2.839 2.245 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.674 4.085 2.564 1.00 0.20 H new ATOM 1105 N PHE A2120 6.652 7.150 5.973 1.00 0.17 N ATOM 1106 CA PHE A2120 7.253 7.801 7.114 1.00 0.19 C ATOM 1107 C PHE A2120 6.271 7.911 8.278 1.00 0.20 C ATOM 1108 O PHE A2120 6.668 7.912 9.445 1.00 0.26 O ATOM 1109 CB PHE A2120 7.739 9.175 6.682 1.00 0.19 C ATOM 1110 CG PHE A2120 8.937 9.086 5.790 1.00 0.24 C ATOM 1111 CD1 PHE A2120 10.046 8.369 6.197 1.00 0.31 C ATOM 1112 CD2 PHE A2120 8.951 9.690 4.545 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.148 8.252 5.383 1.00 0.37 C ATOM 1114 CE2 PHE A2120 10.057 9.580 3.723 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.157 8.858 4.143 1.00 0.38 C ATOM 0 H PHE A2120 6.257 7.792 5.286 1.00 0.17 H new ATOM 0 HA PHE A2120 8.093 7.204 7.468 1.00 0.19 H new ATOM 0 HB2 PHE A2120 6.936 9.697 6.161 1.00 0.19 H new ATOM 0 HB3 PHE A2120 7.985 9.767 7.563 1.00 0.19 H new ATOM 0 HD1 PHE A2120 10.047 7.894 7.167 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.091 10.252 4.213 1.00 0.27 H new ATOM 0 HE1 PHE A2120 12.006 7.686 5.714 1.00 0.37 H new ATOM 0 HE2 PHE A2120 10.061 10.058 2.754 1.00 0.34 H new ATOM 0 HZ PHE A2120 12.022 8.768 3.503 1.00 0.38 H new ATOM 1125 N ASP A2121 4.990 8.000 7.951 1.00 0.17 N ATOM 1126 CA ASP A2121 3.939 8.143 8.958 1.00 0.22 C ATOM 1127 C ASP A2121 3.370 6.782 9.345 1.00 0.20 C ATOM 1128 O ASP A2121 2.919 6.575 10.470 1.00 0.29 O ATOM 1129 CB ASP A2121 2.820 9.035 8.420 1.00 0.29 C ATOM 1130 CG ASP A2121 1.986 9.660 9.524 1.00 0.74 C ATOM 1131 OD1 ASP A2121 0.826 9.225 9.712 1.00 1.34 O ATOM 1132 OD2 ASP A2121 2.487 10.561 10.227 1.00 0.88 O ATOM 0 H ASP A2121 4.648 7.976 6.990 1.00 0.17 H new ATOM 0 HA ASP A2121 4.375 8.602 9.845 1.00 0.22 H new ATOM 0 HB2 ASP A2121 3.254 9.825 7.807 1.00 0.29 H new ATOM 0 HB3 ASP A2121 2.172 8.446 7.770 1.00 0.29 H new ATOM 1137 N HIS A2122 3.395 5.861 8.394 1.00 0.14 N ATOM 1138 CA HIS A2122 2.852 4.520 8.580 1.00 0.14 C ATOM 1139 C HIS A2122 3.788 3.510 7.941 1.00 0.14 C ATOM 1140 O HIS A2122 3.523 3.007 6.849 1.00 0.14 O ATOM 1141 CB HIS A2122 1.476 4.387 7.925 1.00 0.16 C ATOM 1142 CG HIS A2122 0.502 5.449 8.314 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.329 5.349 9.402 1.00 0.34 N ATOM 1144 CD2 HIS A2122 0.235 6.647 7.745 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.067 6.438 9.489 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -0.745 7.247 8.495 1.00 0.40 N ATOM 0 H HIS A2122 3.793 6.021 7.468 1.00 0.14 H new ATOM 0 HA HIS A2122 2.754 4.337 9.650 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.600 4.404 6.842 1.00 0.16 H new ATOM 0 HB3 HIS A2122 1.057 3.415 8.183 1.00 0.16 H new ATOM 0 HD2 HIS A2122 0.706 7.056 6.863 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -1.811 6.636 10.247 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -1.156 8.163 8.315 1.00 0.40 H new ATOM 1155 N PRO A2123 4.900 3.205 8.598 1.00 0.16 N ATOM 1156 CA PRO A2123 5.910 2.353 8.032 1.00 0.17 C ATOM 1157 C PRO A2123 5.714 0.897 8.410 1.00 0.15 C ATOM 1158 O PRO A2123 5.992 0.501 9.537 1.00 0.19 O ATOM 1159 CB PRO A2123 7.185 2.893 8.693 1.00 0.20 C ATOM 1160 CG PRO A2123 6.734 3.704 9.874 1.00 0.25 C ATOM 1161 CD PRO A2123 5.234 3.608 9.934 1.00 0.20 C ATOM 0 HA PRO A2123 5.911 2.368 6.942 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.836 2.077 9.007 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.756 3.506 7.995 1.00 0.20 H new ATOM 0 HG2 PRO A2123 7.181 3.326 10.793 1.00 0.25 H new ATOM 0 HG3 PRO A2123 7.049 4.742 9.770 1.00 0.25 H new ATOM 0 HD2 PRO A2123 4.902 2.879 10.674 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.776 4.561 10.198 1.00 0.20 H new ATOM 1169 N THR A2124 5.199 0.155 7.444 1.00 0.12 N ATOM 1170 CA THR A2124 5.219 -1.299 7.332 1.00 0.10 C ATOM 1171 C THR A2124 4.250 -1.625 6.214 1.00 0.10 C ATOM 1172 O THR A2124 3.355 -0.812 5.960 1.00 0.11 O ATOM 1173 CB THR A2124 4.822 -2.082 8.608 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.737 -1.448 9.288 1.00 0.13 O ATOM 1175 CG2 THR A2124 6.006 -2.237 9.534 1.00 0.11 C ATOM 0 H THR A2124 4.718 0.585 6.654 1.00 0.12 H new ATOM 0 HA THR A2124 6.247 -1.611 7.148 1.00 0.10 H new ATOM 0 HB THR A2124 4.493 -3.074 8.298 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.506 -1.964 10.088 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.703 -2.790 10.423 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.800 -2.781 9.022 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.371 -1.252 9.826 1.00 0.11 H new ATOM 1183 N PRO A2125 4.368 -2.748 5.505 1.00 0.11 N ATOM 1184 CA PRO A2125 3.332 -3.123 4.556 1.00 0.12 C ATOM 1185 C PRO A2125 1.976 -3.194 5.254 1.00 0.13 C ATOM 1186 O PRO A2125 0.956 -2.776 4.707 1.00 0.14 O ATOM 1187 CB PRO A2125 3.768 -4.493 4.045 1.00 0.12 C ATOM 1188 CG PRO A2125 5.236 -4.543 4.302 1.00 0.12 C ATOM 1189 CD PRO A2125 5.485 -3.702 5.526 1.00 0.11 C ATOM 0 HA PRO A2125 3.217 -2.404 3.745 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.247 -5.295 4.568 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.548 -4.608 2.984 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.567 -5.569 4.463 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.793 -4.159 3.447 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.485 -4.303 6.435 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.449 -3.196 5.478 1.00 0.11 H new ATOM 1197 N HIS A2126 1.996 -3.679 6.498 1.00 0.13 N ATOM 1198 CA HIS A2126 0.798 -3.755 7.323 1.00 0.15 C ATOM 1199 C HIS A2126 0.254 -2.363 7.655 1.00 0.14 C ATOM 1200 O HIS A2126 -0.935 -2.128 7.490 1.00 0.16 O ATOM 1201 CB HIS A2126 1.108 -4.567 8.590 1.00 0.18 C ATOM 1202 CG HIS A2126 0.133 -4.392 9.720 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -1.076 -5.048 9.784 1.00 0.35 N ATOM 1204 CD2 HIS A2126 0.208 -3.639 10.842 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -1.702 -4.705 10.893 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -0.943 -3.852 11.556 1.00 0.40 N ATOM 0 H HIS A2126 2.839 -4.027 6.955 1.00 0.13 H new ATOM 0 HA HIS A2126 0.012 -4.264 6.765 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.145 -5.623 8.324 1.00 0.18 H new ATOM 0 HB3 HIS A2126 2.102 -4.292 8.944 1.00 0.18 H new ATOM 0 HD2 HIS A2126 1.024 -2.990 11.123 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -2.672 -5.062 11.206 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -1.175 -3.422 12.452 1.00 0.40 H new ATOM 1215 N ALA A2127 1.115 -1.445 8.103 1.00 0.13 N ATOM 1216 CA ALA A2127 0.672 -0.088 8.462 1.00 0.12 C ATOM 1217 C ALA A2127 -0.062 0.579 7.306 1.00 0.11 C ATOM 1218 O ALA A2127 -1.074 1.252 7.503 1.00 0.11 O ATOM 1219 CB ALA A2127 1.847 0.787 8.897 1.00 0.13 C ATOM 0 H ALA A2127 2.114 -1.611 8.226 1.00 0.13 H new ATOM 0 HA ALA A2127 -0.015 -0.192 9.302 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.484 1.782 9.155 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.331 0.341 9.766 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.566 0.863 8.081 1.00 0.13 H new ATOM 1225 N LEU A2128 0.444 0.387 6.101 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.185 0.957 4.928 1.00 0.11 C ATOM 1227 C LEU A2128 -1.449 0.208 4.556 1.00 0.13 C ATOM 1228 O LEU A2128 -2.400 0.807 4.059 1.00 0.14 O ATOM 1229 CB LEU A2128 0.781 0.968 3.762 1.00 0.11 C ATOM 1230 CG LEU A2128 1.911 1.970 3.898 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.756 1.938 2.649 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.357 3.368 4.159 1.00 0.12 C ATOM 0 H LEU A2128 1.286 -0.157 5.911 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.463 1.983 5.167 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.207 -0.029 3.648 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.227 1.184 2.848 1.00 0.11 H new ATOM 0 HG LEU A2128 2.536 1.703 4.750 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.570 2.657 2.742 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.169 0.938 2.514 1.00 0.12 H new ATOM 0 HD13 LEU A2128 2.141 2.196 1.787 1.00 0.12 H new ATOM 0 HD21 LEU A2128 2.182 4.074 4.254 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.717 3.667 3.329 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.776 3.363 5.081 1.00 0.12 H new ATOM 1244 N THR A2129 -1.468 -1.093 4.820 1.00 0.15 N ATOM 1245 CA THR A2129 -2.651 -1.904 4.576 1.00 0.17 C ATOM 1246 C THR A2129 -3.811 -1.353 5.388 1.00 0.17 C ATOM 1247 O THR A2129 -4.974 -1.438 4.990 1.00 0.20 O ATOM 1248 CB THR A2129 -2.408 -3.383 4.947 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.316 -3.910 4.181 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.647 -4.229 4.704 1.00 0.18 C ATOM 0 H THR A2129 -0.676 -1.608 5.204 1.00 0.15 H new ATOM 0 HA THR A2129 -2.885 -1.861 3.512 1.00 0.17 H new ATOM 0 HB THR A2129 -2.168 -3.421 6.010 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.485 -3.464 4.446 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.440 -5.264 4.976 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.470 -3.852 5.311 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.921 -4.179 3.650 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.468 -0.746 6.513 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.458 -0.142 7.381 1.00 0.18 C ATOM 1260 C GLN A2130 -4.869 1.215 6.823 1.00 0.17 C ATOM 1261 O GLN A2130 -6.057 1.513 6.702 1.00 0.20 O ATOM 1262 CB GLN A2130 -3.918 0.042 8.804 1.00 0.22 C ATOM 1263 CG GLN A2130 -2.930 -1.024 9.249 1.00 0.28 C ATOM 1264 CD GLN A2130 -2.575 -0.912 10.717 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -1.615 -0.235 11.087 1.00 1.66 O ATOM 1266 NE2 GLN A2130 -3.350 -1.569 11.562 1.00 1.13 N ATOM 0 H GLN A2130 -2.507 -0.660 6.845 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.319 -0.809 7.423 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.435 1.017 8.872 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -4.758 0.053 9.499 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -3.353 -2.010 9.055 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -2.021 -0.944 8.652 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -4.135 -2.118 11.212 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -3.163 -1.527 12.564 1.00 1.13 H new ATOM 1275 N HIS A2131 -3.870 2.023 6.465 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.108 3.380 5.983 1.00 0.18 C ATOM 1277 C HIS A2131 -4.951 3.377 4.717 1.00 0.18 C ATOM 1278 O HIS A2131 -5.955 4.080 4.627 1.00 0.19 O ATOM 1279 CB HIS A2131 -2.775 4.086 5.721 1.00 0.23 C ATOM 1280 CG HIS A2131 -2.929 5.467 5.163 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -3.425 6.521 5.894 1.00 0.32 N ATOM 1282 CD2 HIS A2131 -2.673 5.952 3.928 1.00 0.27 C ATOM 1283 CE1 HIS A2131 -3.472 7.598 5.136 1.00 0.35 C ATOM 1284 NE2 HIS A2131 -3.020 7.285 3.935 1.00 0.31 N ATOM 0 H HIS A2131 -2.886 1.758 6.501 1.00 0.16 H new ATOM 0 HA HIS A2131 -4.658 3.919 6.755 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.212 4.140 6.653 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.186 3.486 5.027 1.00 0.23 H new ATOM 0 HD1 HIS A2131 -3.712 6.476 6.872 1.00 0.32 H new ATOM 0 HD2 HIS A2131 -2.272 5.398 3.092 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -3.821 8.572 5.445 1.00 0.35 H new ATOM 1293 N LEU A2132 -4.530 2.592 3.742 1.00 0.19 N ATOM 1294 CA LEU A2132 -5.220 2.512 2.468 1.00 0.21 C ATOM 1295 C LEU A2132 -6.627 1.962 2.639 1.00 0.21 C ATOM 1296 O LEU A2132 -7.546 2.349 1.916 1.00 0.26 O ATOM 1297 CB LEU A2132 -4.413 1.636 1.537 1.00 0.26 C ATOM 1298 CG LEU A2132 -2.953 2.051 1.439 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -2.158 0.994 0.731 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -2.825 3.389 0.743 1.00 0.64 C ATOM 0 H LEU A2132 -3.705 1.996 3.810 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.315 3.512 2.045 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -4.468 0.603 1.881 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -4.860 1.665 0.543 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.552 2.160 2.447 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -1.115 1.304 0.668 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -2.225 0.057 1.284 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -2.556 0.852 -0.274 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -1.773 3.669 0.683 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -3.240 3.317 -0.262 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -3.370 4.146 1.307 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.799 1.081 3.616 1.00 0.20 N ATOM 1313 CA HIS A2133 -8.103 0.515 3.892 1.00 0.21 C ATOM 1314 C HIS A2133 -9.000 1.593 4.472 1.00 0.21 C ATOM 1315 O HIS A2133 -10.180 1.675 4.143 1.00 0.27 O ATOM 1316 CB HIS A2133 -8.002 -0.675 4.851 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.323 -1.335 5.105 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.786 -1.649 6.362 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -10.288 -1.726 4.242 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -10.977 -2.207 6.264 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -11.308 -2.265 4.986 1.00 0.31 N ATOM 0 H HIS A2133 -6.052 0.747 4.225 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.531 0.145 2.960 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -7.309 -1.408 4.440 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.583 -0.337 5.799 1.00 0.21 H new ATOM 0 HD1 HIS A2133 -9.286 -1.477 7.234 1.00 0.27 H new ATOM 0 HD2 HIS A2133 -10.261 -1.632 3.166 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.580 -2.557 7.089 1.00 0.30 H new ATOM 1330 N THR A2134 -8.422 2.421 5.325 1.00 0.18 N ATOM 1331 CA THR A2134 -9.128 3.558 5.875 1.00 0.22 C ATOM 1332 C THR A2134 -9.537 4.522 4.764 1.00 0.26 C ATOM 1333 O THR A2134 -10.662 4.998 4.734 1.00 0.34 O ATOM 1334 CB THR A2134 -8.270 4.295 6.920 1.00 0.26 C ATOM 1335 OG1 THR A2134 -7.963 3.409 8.005 1.00 0.27 O ATOM 1336 CG2 THR A2134 -8.982 5.530 7.459 1.00 0.36 C ATOM 0 H THR A2134 -7.460 2.324 5.651 1.00 0.18 H new ATOM 0 HA THR A2134 -10.024 3.184 6.370 1.00 0.22 H new ATOM 0 HB THR A2134 -7.352 4.619 6.431 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.309 2.743 7.708 1.00 0.27 H new ATOM 0 HG21 THR A2134 -8.347 6.025 8.194 1.00 0.36 H new ATOM 0 HG22 THR A2134 -9.190 6.217 6.639 1.00 0.36 H new ATOM 0 HG23 THR A2134 -9.919 5.233 7.931 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.630 4.765 3.827 1.00 0.27 N ATOM 1345 CA ARG A2135 -8.882 5.712 2.744 1.00 0.32 C ATOM 1346 C ARG A2135 -10.103 5.306 1.912 1.00 0.40 C ATOM 1347 O ARG A2135 -11.001 6.113 1.676 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.653 5.816 1.839 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.402 6.280 2.553 1.00 0.28 C ATOM 1350 CD ARG A2135 -6.569 7.684 3.094 1.00 0.33 C ATOM 1351 NE ARG A2135 -6.495 8.708 2.053 1.00 0.85 N ATOM 1352 CZ ARG A2135 -6.398 10.013 2.310 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -6.396 10.450 3.563 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -6.307 10.883 1.314 1.00 1.64 N ATOM 0 H ARG A2135 -7.713 4.320 3.793 1.00 0.27 H new ATOM 0 HA ARG A2135 -9.088 6.683 3.195 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -7.462 4.842 1.389 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -7.872 6.506 1.024 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -6.173 5.597 3.371 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.556 6.250 1.866 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -7.530 7.760 3.603 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -5.797 7.875 3.840 1.00 0.33 H new ATOM 0 HE ARG A2135 -6.519 8.408 1.078 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -6.469 9.787 4.335 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -6.322 11.449 3.755 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -6.311 10.555 0.348 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -6.233 11.881 1.513 1.00 1.64 H new ATOM 1368 N LEU A2136 -10.122 4.051 1.475 1.00 0.41 N ATOM 1369 CA LEU A2136 -11.202 3.510 0.667 1.00 0.51 C ATOM 1370 C LEU A2136 -12.531 3.466 1.415 1.00 0.58 C ATOM 1371 O LEU A2136 -13.595 3.483 0.802 1.00 0.85 O ATOM 1372 CB LEU A2136 -10.806 2.106 0.227 1.00 0.54 C ATOM 1373 CG LEU A2136 -9.582 2.062 -0.681 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -8.965 0.684 -0.703 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -9.962 2.481 -2.080 1.00 0.75 C ATOM 0 H LEU A2136 -9.382 3.378 1.675 1.00 0.41 H new ATOM 0 HA LEU A2136 -11.352 4.165 -0.191 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -10.611 1.501 1.112 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -11.648 1.648 -0.293 1.00 0.54 H new ATOM 0 HG LEU A2136 -8.842 2.757 -0.284 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -8.095 0.685 -1.359 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -8.659 0.406 0.306 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -9.696 -0.036 -1.071 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -9.082 2.447 -2.722 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -10.722 1.803 -2.469 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -10.358 3.496 -2.061 1.00 0.75 H new ATOM 1387 N THR A2137 -12.473 3.405 2.732 1.00 0.43 N ATOM 1388 CA THR A2137 -13.673 3.257 3.529 1.00 0.47 C ATOM 1389 C THR A2137 -14.143 4.597 4.089 1.00 0.54 C ATOM 1390 O THR A2137 -15.287 4.736 4.530 1.00 0.68 O ATOM 1391 CB THR A2137 -13.426 2.258 4.666 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.310 2.675 5.460 1.00 0.39 O ATOM 1393 CG2 THR A2137 -13.147 0.877 4.095 1.00 0.42 C ATOM 0 H THR A2137 -11.608 3.456 3.271 1.00 0.43 H new ATOM 0 HA THR A2137 -14.463 2.876 2.882 1.00 0.47 H new ATOM 0 HB THR A2137 -14.318 2.220 5.291 1.00 0.43 H new ATOM 0 HG1 THR A2137 -11.479 2.365 5.044 1.00 0.39 H new ATOM 0 HG21 THR A2137 -12.973 0.175 4.910 1.00 0.42 H new ATOM 0 HG22 THR A2137 -14.004 0.546 3.508 1.00 0.42 H new ATOM 0 HG23 THR A2137 -12.264 0.919 3.457 1.00 0.42 H new ATOM 1401 N GLN A2138 -13.252 5.574 4.071 1.00 0.58 N ATOM 1402 CA GLN A2138 -13.561 6.915 4.510 1.00 0.69 C ATOM 1403 C GLN A2138 -13.982 7.780 3.332 1.00 0.88 C ATOM 1404 O GLN A2138 -13.723 7.441 2.176 1.00 1.05 O ATOM 1405 CB GLN A2138 -12.345 7.515 5.193 1.00 1.02 C ATOM 1406 CG GLN A2138 -12.106 6.972 6.589 1.00 0.66 C ATOM 1407 CD GLN A2138 -13.239 7.299 7.543 1.00 1.28 C ATOM 1408 OE1 GLN A2138 -13.903 8.328 7.409 1.00 1.87 O ATOM 1409 NE2 GLN A2138 -13.472 6.425 8.508 1.00 1.96 N ATOM 0 H GLN A2138 -12.292 5.454 3.749 1.00 0.58 H new ATOM 0 HA GLN A2138 -14.390 6.875 5.216 1.00 0.69 H new ATOM 0 HB2 GLN A2138 -11.463 7.324 4.581 1.00 1.02 H new ATOM 0 HB3 GLN A2138 -12.466 8.597 5.248 1.00 1.02 H new ATOM 0 HG2 GLN A2138 -11.980 5.891 6.538 1.00 0.66 H new ATOM 0 HG3 GLN A2138 -11.176 7.383 6.981 1.00 0.66 H new ATOM 0 HE21 GLN A2138 -12.899 5.585 8.584 1.00 1.96 H new ATOM 0 HE22 GLN A2138 -14.225 6.591 9.176 1.00 1.96 H new ATOM 1418 N SER A2139 -14.633 8.891 3.625 1.00 1.14 N ATOM 1419 CA SER A2139 -15.094 9.797 2.592 1.00 1.51 C ATOM 1420 C SER A2139 -14.013 10.815 2.233 1.00 1.92 C ATOM 1421 O SER A2139 -13.908 11.876 2.851 1.00 2.53 O ATOM 1422 CB SER A2139 -16.366 10.501 3.062 1.00 2.30 C ATOM 1423 OG SER A2139 -16.201 11.018 4.372 1.00 3.10 O ATOM 0 H SER A2139 -14.855 9.188 4.575 1.00 1.14 H new ATOM 0 HA SER A2139 -15.315 9.222 1.693 1.00 1.51 H new ATOM 0 HB2 SER A2139 -16.614 11.310 2.375 1.00 2.30 H new ATOM 0 HB3 SER A2139 -17.202 9.801 3.045 1.00 2.30 H new ATOM 0 HG SER A2139 -15.379 11.550 4.413 1.00 3.10 H new ATOM 1429 N HIS A2140 -13.187 10.468 1.256 1.00 2.46 N ATOM 1430 CA HIS A2140 -12.161 11.371 0.755 1.00 3.43 C ATOM 1431 C HIS A2140 -12.214 11.433 -0.762 1.00 3.95 C ATOM 1432 O HIS A2140 -11.529 10.626 -1.419 1.00 4.42 O ATOM 1433 CB HIS A2140 -10.764 10.952 1.216 1.00 4.34 C ATOM 1434 CG HIS A2140 -10.457 11.331 2.629 1.00 5.24 C ATOM 1435 ND1 HIS A2140 -9.575 12.334 2.964 1.00 6.03 N ATOM 1436 CD2 HIS A2140 -10.920 10.839 3.797 1.00 5.82 C ATOM 1437 CE1 HIS A2140 -9.512 12.441 4.276 1.00 6.90 C ATOM 1438 NE2 HIS A2140 -10.321 11.546 4.809 1.00 6.81 N ATOM 1439 OXT HIS A2140 -12.959 12.285 -1.291 1.00 4.31 O ATOM 0 H HIS A2140 -13.208 9.560 0.792 1.00 2.46 H new ATOM 0 HA HIS A2140 -12.362 12.361 1.164 1.00 3.43 H new ATOM 0 HB2 HIS A2140 -10.665 9.872 1.110 1.00 4.34 H new ATOM 0 HB3 HIS A2140 -10.023 11.406 0.558 1.00 4.34 H new ATOM 0 HD2 HIS A2140 -11.632 10.035 3.914 1.00 5.82 H new ATOM 0 HE1 HIS A2140 -8.901 13.144 4.823 1.00 6.90 H new ATOM 0 HE2 HIS A2140 -10.476 11.403 5.807 1.00 6.81 H new TER 1448 HIS A2140