USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=28 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: A2126 HIS : no HD1:sc= 0 K(o=-0.23,f=-0.78) USER MOD Set 1.2: A2130 GLN : amide:sc= -0.235 K(o=-0.23,f=-1.3!) USER MOD Set 2.1: A2052 ASN : amide:sc= 0.078 X(o=-0.78,f=-1.1) USER MOD Set 2.2: A2059 GLN :FLIP amide:sc= -0.858 F(o=-2.1!,f=-0.78) USER MOD Single : A2047 SER OG : rot 180:sc= 0 USER MOD Single : A2048 HIS :FLIP no HD1:sc= -0.0117 F(o=-0.65,f=-0.012) USER MOD Single : A2049 MET CE :methyl 177:sc= -0.312 (180deg=-0.333) USER MOD Single : A2055 SER OG : rot 180:sc= 0 USER MOD Single : A2057 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2058 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.082) USER MOD Single : A2060 GLN : amide:sc= -0.0554 K(o=-0.055,f=-2.3!) USER MOD Single : A2061 GLN : amide:sc=-0.00155 K(o=-0.0015,f=-1) USER MOD Single : A2062 THR OG1 : rot 92:sc= 1.27 USER MOD Single : A2065 THR OG1 : rot 80:sc= 1.02 USER MOD Single : A2071 THR OG1 : rot 180:sc= -0.435 USER MOD Single : A2073 THR OG1 : rot 81:sc= 0.928 USER MOD Single : A2077 HIS : no HE2:sc= -4.75 K(o=-4.7,f=-7.6!) USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2079 THR OG1 : rot 18:sc= 0.682 USER MOD Single : A2082 SER OG : rot -37:sc= 0.551 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot 180:sc= 0 USER MOD Single : A2090 LYS NZ :NH3+ 159:sc= 0.616 (180deg=0.395) USER MOD Single : A2096 SER OG : rot 180:sc= 0 USER MOD Single : A2098 THR OG1 : rot 180:sc= 0.558 USER MOD Single : A2104 ASN : amide:sc= -0.625 K(o=-0.63,f=-3.9!) USER MOD Single : A2105 THR OG1 : rot 180:sc= 0 USER MOD Single : A2107 THR OG1 : rot -69:sc= 0.954 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= 0.821 K(o=0.82,f=-0.18) USER MOD Single : A2110 THR OG1 : rot -90:sc= 0.686 USER MOD Single : A2117 THR OG1 : rot -101:sc= -1.19 USER MOD Single : A2122 HIS : no HD1:sc= -0.27 K(o=-0.27,f=-0.79) USER MOD Single : A2124 THR OG1 : rot 180:sc= 0.269 USER MOD Single : A2129 THR OG1 : rot 31:sc= 0.828 USER MOD Single : A2131 HIS : no HE2:sc= -0.0142 K(o=-0.014,f=-1) USER MOD Single : A2133 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-2.8!) USER MOD Single : A2134 THR OG1 : rot 73:sc= 0.922 USER MOD Single : A2137 THR OG1 : rot -78:sc= 1.02 USER MOD Single : A2138 GLN : amide:sc= -2.16! C(o=-2.2!,f=-3.5!) USER MOD Single : A2139 SER OG : rot 180:sc= 0.0641 USER MOD Single : A2140 HIS : no HD1:sc= 0 X(o=0,f=-0.00074) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A2046 -10.778 4.114 -14.880 1.00 6.15 N ATOM 2 CA GLY A2046 -11.372 2.939 -14.198 1.00 5.60 C ATOM 3 C GLY A2046 -12.297 3.350 -13.074 1.00 5.08 C ATOM 4 O GLY A2046 -12.716 4.505 -13.000 1.00 5.26 O ATOM 0 HA2 GLY A2046 -11.924 2.339 -14.922 1.00 5.60 H new ATOM 0 HA3 GLY A2046 -10.576 2.308 -13.802 1.00 5.60 H new ATOM 10 N SER A2047 -12.620 2.415 -12.197 1.00 4.85 N ATOM 11 CA SER A2047 -13.477 2.702 -11.058 1.00 4.75 C ATOM 12 C SER A2047 -12.655 2.743 -9.772 1.00 3.83 C ATOM 13 O SER A2047 -13.102 2.297 -8.716 1.00 4.09 O ATOM 14 CB SER A2047 -14.591 1.655 -10.965 1.00 5.58 C ATOM 15 OG SER A2047 -14.067 0.340 -11.075 1.00 6.22 O ATOM 0 H SER A2047 -12.301 1.448 -12.252 1.00 4.85 H new ATOM 0 HA SER A2047 -13.936 3.681 -11.195 1.00 4.75 H new ATOM 0 HB2 SER A2047 -15.117 1.762 -10.016 1.00 5.58 H new ATOM 0 HB3 SER A2047 -15.322 1.826 -11.755 1.00 5.58 H new ATOM 0 HG SER A2047 -14.798 -0.310 -11.011 1.00 6.22 H new ATOM 21 N HIS A2048 -11.451 3.299 -9.879 1.00 3.01 N ATOM 22 CA HIS A2048 -10.512 3.373 -8.762 1.00 2.15 C ATOM 23 C HIS A2048 -10.241 1.979 -8.199 1.00 1.40 C ATOM 24 O HIS A2048 -9.870 1.064 -8.937 1.00 1.44 O ATOM 25 CB HIS A2048 -11.030 4.310 -7.655 1.00 2.19 C ATOM 26 CG HIS A2048 -11.253 5.723 -8.092 1.00 2.49 C ATOM 27 ND1 HIS A2048 -10.470 6.810 -7.966 1.00 3.16 N flip ATOM 28 CD2 HIS A2048 -12.396 6.149 -8.736 1.00 2.35 C flip ATOM 29 CE1 HIS A2048 -11.138 7.865 -8.532 1.00 3.33 C flip ATOM 30 NE2 HIS A2048 -12.296 7.441 -8.989 1.00 2.84 N flip ATOM 0 H HIS A2048 -11.098 3.711 -10.743 1.00 3.01 H new ATOM 0 HA HIS A2048 -9.577 3.787 -9.139 1.00 2.15 H new ATOM 0 HB2 HIS A2048 -11.967 3.911 -7.268 1.00 2.19 H new ATOM 0 HB3 HIS A2048 -10.317 4.306 -6.830 1.00 2.19 H new ATOM 0 HD2 HIS A2048 -13.239 5.525 -8.993 1.00 2.35 H new ATOM 0 HE1 HIS A2048 -10.773 8.879 -8.593 1.00 3.33 H new ATOM 0 HE2 HIS A2048 -12.998 8.013 -9.459 1.00 2.84 H new ATOM 39 N MET A2049 -10.437 1.819 -6.902 1.00 1.08 N ATOM 40 CA MET A2049 -10.225 0.547 -6.236 1.00 0.80 C ATOM 41 C MET A2049 -11.553 -0.024 -5.748 1.00 1.56 C ATOM 42 O MET A2049 -11.647 -0.483 -4.612 1.00 2.18 O ATOM 43 CB MET A2049 -9.200 0.643 -5.109 1.00 0.83 C ATOM 44 CG MET A2049 -8.619 -0.716 -4.740 1.00 1.02 C ATOM 45 SD MET A2049 -7.119 -0.611 -3.747 1.00 1.09 S ATOM 46 CE MET A2049 -6.718 -2.350 -3.586 1.00 0.85 C ATOM 0 H MET A2049 -10.747 2.567 -6.282 1.00 1.08 H new ATOM 0 HA MET A2049 -9.804 -0.143 -6.968 1.00 0.80 H new ATOM 0 HB2 MET A2049 -8.393 1.311 -5.410 1.00 0.83 H new ATOM 0 HB3 MET A2049 -9.669 1.086 -4.231 1.00 0.83 H new ATOM 0 HG2 MET A2049 -9.369 -1.286 -4.192 1.00 1.02 H new ATOM 0 HG3 MET A2049 -8.402 -1.270 -5.653 1.00 1.02 H new ATOM 0 HE1 MET A2049 -5.781 -2.458 -3.040 1.00 0.85 H new ATOM 0 HE2 MET A2049 -7.515 -2.858 -3.043 1.00 0.85 H new ATOM 0 HE3 MET A2049 -6.614 -2.793 -4.577 1.00 0.85 H new ATOM 56 N ARG A2050 -12.594 0.181 -6.569 1.00 2.19 N ATOM 57 CA ARG A2050 -13.985 -0.317 -6.367 1.00 3.02 C ATOM 58 C ARG A2050 -14.113 -1.746 -5.761 1.00 2.45 C ATOM 59 O ARG A2050 -15.218 -2.275 -5.663 1.00 3.04 O ATOM 60 CB ARG A2050 -14.714 -0.267 -7.714 1.00 4.17 C ATOM 61 CG ARG A2050 -16.212 -0.384 -7.628 1.00 5.10 C ATOM 62 CD ARG A2050 -16.792 0.903 -7.125 1.00 6.03 C ATOM 63 NE ARG A2050 -18.251 0.870 -7.054 1.00 7.06 N ATOM 64 CZ ARG A2050 -18.986 1.771 -6.404 1.00 8.09 C ATOM 65 NH1 ARG A2050 -18.398 2.792 -5.789 1.00 8.33 N ATOM 66 NH2 ARG A2050 -20.307 1.659 -6.384 1.00 9.04 N ATOM 0 H ARG A2050 -12.498 0.719 -7.430 1.00 2.19 H new ATOM 0 HA ARG A2050 -14.432 0.340 -5.621 1.00 3.02 H new ATOM 0 HB2 ARG A2050 -14.465 0.671 -8.211 1.00 4.17 H new ATOM 0 HB3 ARG A2050 -14.337 -1.072 -8.345 1.00 4.17 H new ATOM 0 HG2 ARG A2050 -16.625 -0.621 -8.609 1.00 5.10 H new ATOM 0 HG3 ARG A2050 -16.485 -1.202 -6.961 1.00 5.10 H new ATOM 0 HD2 ARG A2050 -16.388 1.117 -6.136 1.00 6.03 H new ATOM 0 HD3 ARG A2050 -16.482 1.718 -7.779 1.00 6.03 H new ATOM 0 HE ARG A2050 -18.736 0.111 -7.531 1.00 7.06 H new ATOM 0 HH11 ARG A2050 -17.383 2.886 -5.814 1.00 8.33 H new ATOM 0 HH12 ARG A2050 -18.962 3.481 -5.292 1.00 8.33 H new ATOM 0 HH21 ARG A2050 -20.760 0.883 -6.866 1.00 9.04 H new ATOM 0 HH22 ARG A2050 -20.870 2.349 -5.886 1.00 9.04 H new ATOM 80 N LEU A2051 -12.995 -2.365 -5.407 1.00 1.40 N ATOM 81 CA LEU A2051 -12.927 -3.618 -4.639 1.00 1.14 C ATOM 82 C LEU A2051 -13.962 -3.702 -3.497 1.00 1.01 C ATOM 83 O LEU A2051 -14.217 -4.785 -2.973 1.00 1.07 O ATOM 84 CB LEU A2051 -11.518 -3.724 -4.048 1.00 1.24 C ATOM 85 CG LEU A2051 -11.273 -4.885 -3.086 1.00 1.66 C ATOM 86 CD1 LEU A2051 -11.196 -6.206 -3.833 1.00 2.23 C ATOM 87 CD2 LEU A2051 -10.008 -4.636 -2.281 1.00 2.25 C ATOM 0 H LEU A2051 -12.074 -2.002 -5.651 1.00 1.40 H new ATOM 0 HA LEU A2051 -13.156 -4.438 -5.319 1.00 1.14 H new ATOM 0 HB2 LEU A2051 -10.807 -3.805 -4.870 1.00 1.24 H new ATOM 0 HB3 LEU A2051 -11.295 -2.794 -3.525 1.00 1.24 H new ATOM 0 HG LEU A2051 -12.115 -4.949 -2.397 1.00 1.66 H new ATOM 0 HD11 LEU A2051 -11.021 -7.015 -3.124 1.00 2.23 H new ATOM 0 HD12 LEU A2051 -12.134 -6.381 -4.360 1.00 2.23 H new ATOM 0 HD13 LEU A2051 -10.378 -6.170 -4.552 1.00 2.23 H new ATOM 0 HD21 LEU A2051 -9.842 -5.469 -1.598 1.00 2.25 H new ATOM 0 HD22 LEU A2051 -9.158 -4.546 -2.957 1.00 2.25 H new ATOM 0 HD23 LEU A2051 -10.116 -3.714 -1.709 1.00 2.25 H new ATOM 99 N ASN A2052 -14.527 -2.564 -3.095 1.00 1.58 N ATOM 100 CA ASN A2052 -15.570 -2.531 -2.068 1.00 1.99 C ATOM 101 C ASN A2052 -16.665 -3.558 -2.356 1.00 1.93 C ATOM 102 O ASN A2052 -16.940 -3.891 -3.511 1.00 2.08 O ATOM 103 CB ASN A2052 -16.187 -1.133 -1.975 1.00 2.83 C ATOM 104 CG ASN A2052 -15.178 -0.075 -1.570 1.00 3.47 C ATOM 105 OD1 ASN A2052 -14.499 0.504 -2.417 1.00 3.92 O ATOM 106 ND2 ASN A2052 -15.076 0.193 -0.276 1.00 4.07 N ATOM 0 H ASN A2052 -14.279 -1.647 -3.467 1.00 1.58 H new ATOM 0 HA ASN A2052 -15.103 -2.782 -1.116 1.00 1.99 H new ATOM 0 HB2 ASN A2052 -16.620 -0.866 -2.939 1.00 2.83 H new ATOM 0 HB3 ASN A2052 -17.003 -1.147 -1.252 1.00 2.83 H new ATOM 0 HD21 ASN A2052 -14.417 0.901 0.048 1.00 4.07 H new ATOM 0 HD22 ASN A2052 -15.657 -0.309 0.396 1.00 4.07 H new ATOM 113 N GLY A2053 -17.295 -4.043 -1.300 1.00 1.86 N ATOM 114 CA GLY A2053 -18.254 -5.121 -1.425 1.00 1.88 C ATOM 115 C GLY A2053 -17.737 -6.389 -0.783 1.00 1.57 C ATOM 116 O GLY A2053 -18.510 -7.204 -0.278 1.00 1.67 O ATOM 0 H GLY A2053 -17.158 -3.706 -0.347 1.00 1.86 H new ATOM 0 HA2 GLY A2053 -19.195 -4.831 -0.957 1.00 1.88 H new ATOM 0 HA3 GLY A2053 -18.465 -5.303 -2.479 1.00 1.88 H new ATOM 120 N LEU A2054 -16.422 -6.553 -0.796 1.00 1.24 N ATOM 121 CA LEU A2054 -15.778 -7.616 -0.048 1.00 1.05 C ATOM 122 C LEU A2054 -15.670 -7.209 1.409 1.00 0.93 C ATOM 123 O LEU A2054 -15.682 -6.019 1.728 1.00 0.98 O ATOM 124 CB LEU A2054 -14.382 -7.920 -0.606 1.00 0.96 C ATOM 125 CG LEU A2054 -14.342 -8.682 -1.937 1.00 1.10 C ATOM 126 CD1 LEU A2054 -15.219 -9.917 -1.864 1.00 1.60 C ATOM 127 CD2 LEU A2054 -14.765 -7.795 -3.096 1.00 1.50 C ATOM 0 H LEU A2054 -15.780 -5.959 -1.320 1.00 1.24 H new ATOM 0 HA LEU A2054 -16.382 -8.519 -0.139 1.00 1.05 H new ATOM 0 HB2 LEU A2054 -13.850 -6.977 -0.734 1.00 0.96 H new ATOM 0 HB3 LEU A2054 -13.833 -8.498 0.138 1.00 0.96 H new ATOM 0 HG LEU A2054 -13.312 -8.992 -2.115 1.00 1.10 H new ATOM 0 HD11 LEU A2054 -15.181 -10.447 -2.816 1.00 1.60 H new ATOM 0 HD12 LEU A2054 -14.861 -10.571 -1.069 1.00 1.60 H new ATOM 0 HD13 LEU A2054 -16.247 -9.621 -1.655 1.00 1.60 H new ATOM 0 HD21 LEU A2054 -14.726 -8.365 -4.024 1.00 1.50 H new ATOM 0 HD22 LEU A2054 -15.783 -7.441 -2.931 1.00 1.50 H new ATOM 0 HD23 LEU A2054 -14.091 -6.941 -3.166 1.00 1.50 H new ATOM 139 N SER A2055 -15.591 -8.191 2.285 1.00 0.85 N ATOM 140 CA SER A2055 -15.419 -7.937 3.704 1.00 0.80 C ATOM 141 C SER A2055 -14.101 -7.209 3.952 1.00 0.67 C ATOM 142 O SER A2055 -13.145 -7.384 3.197 1.00 0.61 O ATOM 143 CB SER A2055 -15.465 -9.257 4.472 1.00 0.83 C ATOM 144 OG SER A2055 -16.667 -9.954 4.191 1.00 1.18 O ATOM 0 H SER A2055 -15.643 -9.179 2.038 1.00 0.85 H new ATOM 0 HA SER A2055 -16.230 -7.300 4.058 1.00 0.80 H new ATOM 0 HB2 SER A2055 -14.608 -9.873 4.199 1.00 0.83 H new ATOM 0 HB3 SER A2055 -15.391 -9.064 5.542 1.00 0.83 H new ATOM 0 HG SER A2055 -16.680 -10.798 4.689 1.00 1.18 H new ATOM 150 N PRO A2056 -14.052 -6.362 4.992 1.00 0.67 N ATOM 151 CA PRO A2056 -12.890 -5.543 5.334 1.00 0.61 C ATOM 152 C PRO A2056 -11.549 -6.244 5.140 1.00 0.54 C ATOM 153 O PRO A2056 -10.693 -5.747 4.411 1.00 0.50 O ATOM 154 CB PRO A2056 -13.100 -5.201 6.812 1.00 0.71 C ATOM 155 CG PRO A2056 -14.425 -5.769 7.191 1.00 0.86 C ATOM 156 CD PRO A2056 -15.149 -6.101 5.922 1.00 0.81 C ATOM 0 HA PRO A2056 -12.832 -4.676 4.676 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -12.305 -5.626 7.426 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -13.081 -4.122 6.968 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -14.299 -6.660 7.806 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -14.995 -5.052 7.782 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -15.797 -6.970 6.040 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -15.779 -5.277 5.586 1.00 0.81 H new ATOM 164 N GLN A2057 -11.373 -7.393 5.775 1.00 0.58 N ATOM 165 CA GLN A2057 -10.109 -8.110 5.710 1.00 0.60 C ATOM 166 C GLN A2057 -9.855 -8.629 4.294 1.00 0.57 C ATOM 167 O GLN A2057 -8.718 -8.637 3.822 1.00 0.57 O ATOM 168 CB GLN A2057 -10.110 -9.263 6.709 1.00 0.71 C ATOM 169 CG GLN A2057 -8.740 -9.868 6.931 1.00 0.83 C ATOM 170 CD GLN A2057 -8.765 -11.030 7.900 1.00 1.19 C ATOM 171 OE1 GLN A2057 -8.618 -10.853 9.112 1.00 1.63 O ATOM 172 NE2 GLN A2057 -8.958 -12.228 7.376 1.00 1.95 N ATOM 0 H GLN A2057 -12.089 -7.848 6.341 1.00 0.58 H new ATOM 0 HA GLN A2057 -9.305 -7.421 5.969 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -10.501 -8.907 7.662 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -10.789 -10.039 6.356 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -8.337 -10.205 5.976 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -8.065 -9.100 7.308 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -9.075 -12.331 6.368 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -8.990 -13.050 7.980 1.00 1.95 H new ATOM 181 N GLN A2058 -10.926 -9.045 3.620 1.00 0.59 N ATOM 182 CA GLN A2058 -10.849 -9.453 2.217 1.00 0.64 C ATOM 183 C GLN A2058 -10.308 -8.310 1.367 1.00 0.57 C ATOM 184 O GLN A2058 -9.518 -8.518 0.443 1.00 0.59 O ATOM 185 CB GLN A2058 -12.233 -9.874 1.708 1.00 0.75 C ATOM 186 CG GLN A2058 -12.667 -11.250 2.180 1.00 0.83 C ATOM 187 CD GLN A2058 -11.882 -12.366 1.516 1.00 0.99 C ATOM 188 OE1 GLN A2058 -12.276 -12.878 0.471 1.00 1.44 O ATOM 189 NE2 GLN A2058 -10.768 -12.754 2.114 1.00 1.60 N ATOM 0 H GLN A2058 -11.860 -9.109 4.024 1.00 0.59 H new ATOM 0 HA GLN A2058 -10.172 -10.304 2.139 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -12.969 -9.139 2.035 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -12.229 -9.858 0.618 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -12.543 -11.316 3.261 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -13.729 -11.384 1.973 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -10.472 -12.306 2.981 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -10.205 -13.502 1.708 1.00 1.60 H new ATOM 198 N GLN A2059 -10.737 -7.100 1.697 1.00 0.54 N ATOM 199 CA GLN A2059 -10.245 -5.906 1.034 1.00 0.52 C ATOM 200 C GLN A2059 -8.804 -5.622 1.434 1.00 0.47 C ATOM 201 O GLN A2059 -7.974 -5.285 0.589 1.00 0.49 O ATOM 202 CB GLN A2059 -11.115 -4.699 1.376 1.00 0.57 C ATOM 203 CG GLN A2059 -12.514 -4.762 0.794 1.00 0.72 C ATOM 204 CD GLN A2059 -13.276 -3.473 1.016 1.00 1.02 C ATOM 205 OE1 GLN A2059 -13.185 -2.565 0.058 1.00 1.50 O flip ATOM 206 NE2 GLN A2059 -13.934 -3.293 2.038 1.00 1.19 N flip ATOM 0 H GLN A2059 -11.429 -6.921 2.425 1.00 0.54 H new ATOM 0 HA GLN A2059 -10.288 -6.082 -0.041 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -11.187 -4.612 2.460 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -10.623 -3.796 1.016 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.454 -4.969 -0.275 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -13.059 -5.589 1.248 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -13.977 -4.020 2.752 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -14.437 -2.416 2.173 1.00 1.19 H new ATOM 215 N GLN A2060 -8.512 -5.764 2.724 1.00 0.44 N ATOM 216 CA GLN A2060 -7.178 -5.481 3.238 1.00 0.42 C ATOM 217 C GLN A2060 -6.147 -6.350 2.575 1.00 0.39 C ATOM 218 O GLN A2060 -5.265 -5.843 1.929 1.00 0.37 O ATOM 219 CB GLN A2060 -7.089 -5.695 4.745 1.00 0.45 C ATOM 220 CG GLN A2060 -8.046 -4.848 5.539 1.00 0.50 C ATOM 221 CD GLN A2060 -7.836 -4.984 7.031 1.00 0.60 C ATOM 222 OE1 GLN A2060 -8.452 -5.823 7.685 1.00 0.78 O ATOM 223 NE2 GLN A2060 -6.952 -4.164 7.577 1.00 0.95 N ATOM 0 H GLN A2060 -9.180 -6.073 3.430 1.00 0.44 H new ATOM 0 HA GLN A2060 -6.982 -4.432 3.015 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.281 -6.745 4.965 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -6.072 -5.481 5.073 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -7.926 -3.803 5.252 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -9.069 -5.131 5.292 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -6.463 -3.482 6.997 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -6.760 -4.214 8.578 1.00 0.95 H new ATOM 232 N GLN A2061 -6.275 -7.656 2.736 1.00 0.41 N ATOM 233 CA GLN A2061 -5.324 -8.609 2.160 1.00 0.42 C ATOM 234 C GLN A2061 -5.045 -8.316 0.689 1.00 0.43 C ATOM 235 O GLN A2061 -3.930 -8.504 0.204 1.00 0.41 O ATOM 236 CB GLN A2061 -5.872 -10.008 2.315 1.00 0.51 C ATOM 237 CG GLN A2061 -5.990 -10.416 3.767 1.00 0.56 C ATOM 238 CD GLN A2061 -6.811 -11.674 3.968 1.00 0.67 C ATOM 239 OE1 GLN A2061 -7.736 -11.959 3.206 1.00 1.03 O ATOM 240 NE2 GLN A2061 -6.475 -12.438 4.993 1.00 1.32 N ATOM 0 H GLN A2061 -7.032 -8.089 3.264 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.378 -8.514 2.694 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -6.852 -10.067 1.842 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -5.223 -10.711 1.793 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -4.992 -10.572 4.176 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.442 -9.601 4.331 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -5.702 -12.166 5.600 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -6.989 -13.300 5.177 1.00 1.32 H new ATOM 249 N THR A2062 -6.072 -7.859 -0.003 1.00 0.49 N ATOM 250 CA THR A2062 -5.940 -7.393 -1.376 1.00 0.55 C ATOM 251 C THR A2062 -4.938 -6.240 -1.481 1.00 0.49 C ATOM 252 O THR A2062 -3.946 -6.330 -2.204 1.00 0.48 O ATOM 253 CB THR A2062 -7.295 -6.917 -1.914 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.246 -7.990 -1.863 1.00 0.73 O ATOM 255 CG2 THR A2062 -7.160 -6.409 -3.342 1.00 0.77 C ATOM 0 H THR A2062 -7.020 -7.799 0.367 1.00 0.49 H new ATOM 0 HA THR A2062 -5.578 -8.234 -1.968 1.00 0.55 H new ATOM 0 HB THR A2062 -7.646 -6.096 -1.288 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.733 -7.955 -1.013 1.00 0.73 H new ATOM 0 HG21 THR A2062 -8.133 -6.077 -3.703 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.459 -5.574 -3.367 1.00 0.77 H new ATOM 0 HG23 THR A2062 -6.791 -7.212 -3.980 1.00 0.77 H new ATOM 263 N LEU A2063 -5.189 -5.171 -0.731 1.00 0.50 N ATOM 264 CA LEU A2063 -4.365 -3.976 -0.781 1.00 0.53 C ATOM 265 C LEU A2063 -3.072 -4.216 -0.018 1.00 0.44 C ATOM 266 O LEU A2063 -2.076 -3.531 -0.205 1.00 0.47 O ATOM 267 CB LEU A2063 -5.156 -2.802 -0.200 1.00 0.69 C ATOM 268 CG LEU A2063 -5.642 -2.950 1.239 1.00 0.64 C ATOM 269 CD1 LEU A2063 -4.603 -2.441 2.217 1.00 1.32 C ATOM 270 CD2 LEU A2063 -6.961 -2.220 1.427 1.00 1.22 C ATOM 0 H LEU A2063 -5.968 -5.112 -0.075 1.00 0.50 H new ATOM 0 HA LEU A2063 -4.102 -3.736 -1.811 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -4.533 -1.909 -0.259 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -6.024 -2.628 -0.836 1.00 0.69 H new ATOM 0 HG LEU A2063 -5.800 -4.010 1.440 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -4.974 -2.558 3.235 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -3.682 -3.011 2.099 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -4.405 -1.387 2.022 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -7.296 -2.334 2.458 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -6.826 -1.162 1.204 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -7.708 -2.640 0.754 1.00 1.22 H new ATOM 282 N ALA A2064 -3.125 -5.224 0.824 1.00 0.39 N ATOM 283 CA ALA A2064 -1.987 -5.698 1.580 1.00 0.38 C ATOM 284 C ALA A2064 -0.978 -6.283 0.611 1.00 0.37 C ATOM 285 O ALA A2064 0.202 -5.932 0.610 1.00 0.51 O ATOM 286 CB ALA A2064 -2.457 -6.759 2.569 1.00 0.38 C ATOM 0 H ALA A2064 -3.980 -5.749 1.006 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.522 -4.883 2.135 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.606 -7.123 3.144 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -3.193 -6.325 3.246 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -2.909 -7.589 2.025 1.00 0.38 H new ATOM 292 N THR A2065 -1.493 -7.160 -0.235 1.00 0.28 N ATOM 293 CA THR A2065 -0.739 -7.754 -1.319 1.00 0.28 C ATOM 294 C THR A2065 -0.351 -6.687 -2.342 1.00 0.27 C ATOM 295 O THR A2065 0.715 -6.750 -2.952 1.00 0.25 O ATOM 296 CB THR A2065 -1.588 -8.852 -1.986 1.00 0.36 C ATOM 297 OG1 THR A2065 -1.871 -9.887 -1.031 1.00 0.40 O ATOM 298 CG2 THR A2065 -0.891 -9.449 -3.202 1.00 0.41 C ATOM 0 H THR A2065 -2.460 -7.482 -0.185 1.00 0.28 H new ATOM 0 HA THR A2065 0.176 -8.196 -0.923 1.00 0.28 H new ATOM 0 HB THR A2065 -2.516 -8.395 -2.329 1.00 0.36 H new ATOM 0 HG1 THR A2065 -2.608 -9.604 -0.450 1.00 0.40 H new ATOM 0 HG21 THR A2065 -1.524 -10.219 -3.642 1.00 0.41 H new ATOM 0 HG22 THR A2065 -0.708 -8.666 -3.937 1.00 0.41 H new ATOM 0 HG23 THR A2065 0.058 -9.890 -2.897 1.00 0.41 H new ATOM 306 N LEU A2066 -1.222 -5.700 -2.503 1.00 0.29 N ATOM 307 CA LEU A2066 -0.976 -4.571 -3.382 1.00 0.28 C ATOM 308 C LEU A2066 0.258 -3.805 -2.941 1.00 0.23 C ATOM 309 O LEU A2066 1.231 -3.680 -3.685 1.00 0.22 O ATOM 310 CB LEU A2066 -2.173 -3.639 -3.347 1.00 0.32 C ATOM 311 CG LEU A2066 -1.904 -2.286 -3.956 1.00 0.57 C ATOM 312 CD1 LEU A2066 -1.838 -2.386 -5.463 1.00 0.92 C ATOM 313 CD2 LEU A2066 -2.926 -1.263 -3.498 1.00 1.35 C ATOM 0 H LEU A2066 -2.122 -5.662 -2.024 1.00 0.29 H new ATOM 0 HA LEU A2066 -0.816 -4.946 -4.393 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -3.003 -4.107 -3.876 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -2.489 -3.506 -2.312 1.00 0.32 H new ATOM 0 HG LEU A2066 -0.932 -1.939 -3.606 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -1.643 -1.400 -5.885 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -1.036 -3.067 -5.748 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -2.787 -2.763 -5.845 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -2.705 -0.298 -3.954 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -3.923 -1.586 -3.797 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -2.886 -1.169 -2.413 1.00 1.35 H new ATOM 325 N VAL A2067 0.183 -3.279 -1.732 1.00 0.21 N ATOM 326 CA VAL A2067 1.286 -2.562 -1.113 1.00 0.18 C ATOM 327 C VAL A2067 2.573 -3.373 -1.198 1.00 0.16 C ATOM 328 O VAL A2067 3.642 -2.859 -1.538 1.00 0.17 O ATOM 329 CB VAL A2067 0.980 -2.266 0.372 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.206 -1.721 1.081 1.00 0.20 C ATOM 331 CG2 VAL A2067 -0.185 -1.300 0.509 1.00 0.22 C ATOM 0 H VAL A2067 -0.650 -3.337 -1.147 1.00 0.21 H new ATOM 0 HA VAL A2067 1.412 -1.624 -1.653 1.00 0.18 H new ATOM 0 HB VAL A2067 0.700 -3.207 0.845 1.00 0.19 H new ATOM 0 HG11 VAL A2067 1.964 -1.521 2.125 1.00 0.20 H new ATOM 0 HG12 VAL A2067 3.012 -2.453 1.029 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.524 -0.797 0.599 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.378 -1.110 1.565 1.00 0.22 H new ATOM 0 HG22 VAL A2067 0.059 -0.362 0.010 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -1.073 -1.734 0.050 1.00 0.22 H new ATOM 341 N ALA A2068 2.446 -4.646 -0.888 1.00 0.15 N ATOM 342 CA ALA A2068 3.553 -5.574 -0.940 1.00 0.15 C ATOM 343 C ALA A2068 4.133 -5.674 -2.353 1.00 0.14 C ATOM 344 O ALA A2068 5.345 -5.592 -2.539 1.00 0.13 O ATOM 345 CB ALA A2068 3.067 -6.918 -0.435 1.00 0.17 C ATOM 0 H ALA A2068 1.566 -5.067 -0.591 1.00 0.15 H new ATOM 0 HA ALA A2068 4.364 -5.219 -0.305 1.00 0.15 H new ATOM 0 HB1 ALA A2068 3.887 -7.636 -0.465 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.712 -6.815 0.591 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.252 -7.271 -1.067 1.00 0.17 H new ATOM 351 N ALA A2069 3.257 -5.831 -3.340 1.00 0.17 N ATOM 352 CA ALA A2069 3.652 -5.879 -4.744 1.00 0.18 C ATOM 353 C ALA A2069 4.338 -4.587 -5.167 1.00 0.19 C ATOM 354 O ALA A2069 5.211 -4.588 -6.039 1.00 0.21 O ATOM 355 CB ALA A2069 2.438 -6.129 -5.627 1.00 0.23 C ATOM 0 H ALA A2069 2.253 -5.929 -3.189 1.00 0.17 H new ATOM 0 HA ALA A2069 4.359 -6.700 -4.863 1.00 0.18 H new ATOM 0 HB1 ALA A2069 2.748 -6.162 -6.671 1.00 0.23 H new ATOM 0 HB2 ALA A2069 1.979 -7.079 -5.354 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.716 -5.325 -5.489 1.00 0.23 H new ATOM 361 N ALA A2070 3.944 -3.488 -4.535 1.00 0.19 N ATOM 362 CA ALA A2070 4.501 -2.194 -4.845 1.00 0.21 C ATOM 363 C ALA A2070 5.975 -2.172 -4.488 1.00 0.20 C ATOM 364 O ALA A2070 6.807 -1.734 -5.281 1.00 0.23 O ATOM 365 CB ALA A2070 3.741 -1.105 -4.105 1.00 0.24 C ATOM 0 H ALA A2070 3.236 -3.477 -3.801 1.00 0.19 H new ATOM 0 HA ALA A2070 4.403 -2.004 -5.914 1.00 0.21 H new ATOM 0 HB1 ALA A2070 4.171 -0.133 -4.347 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.693 -1.124 -4.406 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.813 -1.276 -3.031 1.00 0.24 H new ATOM 371 N THR A2071 6.310 -2.676 -3.304 1.00 0.18 N ATOM 372 CA THR A2071 7.690 -2.619 -2.850 1.00 0.21 C ATOM 373 C THR A2071 8.482 -3.825 -3.339 1.00 0.21 C ATOM 374 O THR A2071 9.691 -3.747 -3.529 1.00 0.27 O ATOM 375 CB THR A2071 7.793 -2.434 -1.329 1.00 0.22 C ATOM 376 OG1 THR A2071 9.134 -2.145 -0.949 1.00 0.28 O ATOM 377 CG2 THR A2071 7.314 -3.650 -0.577 1.00 0.23 C ATOM 0 H THR A2071 5.659 -3.119 -2.656 1.00 0.18 H new ATOM 0 HA THR A2071 8.142 -1.733 -3.296 1.00 0.21 H new ATOM 0 HB THR A2071 7.147 -1.595 -1.069 1.00 0.22 H new ATOM 0 HG1 THR A2071 9.181 -2.029 0.023 1.00 0.28 H new ATOM 0 HG21 THR A2071 7.405 -3.474 0.495 1.00 0.23 H new ATOM 0 HG22 THR A2071 6.271 -3.844 -0.826 1.00 0.23 H new ATOM 0 HG23 THR A2071 7.920 -4.512 -0.856 1.00 0.23 H new ATOM 385 N ALA A2072 7.797 -4.927 -3.592 1.00 0.18 N ATOM 386 CA ALA A2072 8.395 -6.046 -4.307 1.00 0.22 C ATOM 387 C ALA A2072 9.004 -5.528 -5.606 1.00 0.26 C ATOM 388 O ALA A2072 10.130 -5.877 -5.969 1.00 0.31 O ATOM 389 CB ALA A2072 7.323 -7.094 -4.583 1.00 0.22 C ATOM 0 H ALA A2072 6.827 -5.073 -3.314 1.00 0.18 H new ATOM 0 HA ALA A2072 9.181 -6.509 -3.711 1.00 0.22 H new ATOM 0 HB1 ALA A2072 7.765 -7.934 -5.118 1.00 0.22 H new ATOM 0 HB2 ALA A2072 6.905 -7.444 -3.639 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.531 -6.654 -5.189 1.00 0.22 H new ATOM 395 N THR A2073 8.265 -4.655 -6.271 1.00 0.27 N ATOM 396 CA THR A2073 8.733 -4.003 -7.477 1.00 0.34 C ATOM 397 C THR A2073 9.753 -2.906 -7.151 1.00 0.37 C ATOM 398 O THR A2073 10.829 -2.850 -7.746 1.00 0.43 O ATOM 399 CB THR A2073 7.550 -3.385 -8.240 1.00 0.38 C ATOM 400 OG1 THR A2073 6.570 -4.393 -8.518 1.00 0.40 O ATOM 401 CG2 THR A2073 8.018 -2.747 -9.535 1.00 0.46 C ATOM 0 H THR A2073 7.324 -4.380 -5.988 1.00 0.27 H new ATOM 0 HA THR A2073 9.216 -4.758 -8.098 1.00 0.34 H new ATOM 0 HB THR A2073 7.104 -2.610 -7.617 1.00 0.38 H new ATOM 0 HG1 THR A2073 6.018 -4.541 -7.722 1.00 0.40 H new ATOM 0 HG21 THR A2073 7.164 -2.316 -10.058 1.00 0.46 H new ATOM 0 HG22 THR A2073 8.741 -1.962 -9.313 1.00 0.46 H new ATOM 0 HG23 THR A2073 8.485 -3.504 -10.165 1.00 0.46 H new ATOM 409 N VAL A2074 9.404 -2.052 -6.196 1.00 0.36 N ATOM 410 CA VAL A2074 10.198 -0.903 -5.828 1.00 0.41 C ATOM 411 C VAL A2074 11.618 -1.274 -5.359 1.00 0.47 C ATOM 412 O VAL A2074 12.582 -0.592 -5.711 1.00 0.56 O ATOM 413 CB VAL A2074 9.423 -0.119 -4.751 1.00 0.38 C ATOM 414 CG1 VAL A2074 10.197 0.043 -3.461 1.00 0.38 C ATOM 415 CG2 VAL A2074 8.962 1.216 -5.283 1.00 0.37 C ATOM 0 H VAL A2074 8.547 -2.147 -5.652 1.00 0.36 H new ATOM 0 HA VAL A2074 10.352 -0.281 -6.710 1.00 0.41 H new ATOM 0 HB VAL A2074 8.545 -0.717 -4.505 1.00 0.38 H new ATOM 0 HG11 VAL A2074 9.597 0.603 -2.744 1.00 0.38 H new ATOM 0 HG12 VAL A2074 10.429 -0.940 -3.050 1.00 0.38 H new ATOM 0 HG13 VAL A2074 11.124 0.582 -3.658 1.00 0.38 H new ATOM 0 HG21 VAL A2074 8.418 1.750 -4.504 1.00 0.37 H new ATOM 0 HG22 VAL A2074 9.827 1.804 -5.589 1.00 0.37 H new ATOM 0 HG23 VAL A2074 8.308 1.060 -6.141 1.00 0.37 H new ATOM 425 N LEU A2075 11.756 -2.347 -4.580 1.00 0.43 N ATOM 426 CA LEU A2075 13.068 -2.773 -4.110 1.00 0.52 C ATOM 427 C LEU A2075 13.756 -3.622 -5.172 1.00 0.60 C ATOM 428 O LEU A2075 14.960 -3.877 -5.108 1.00 0.74 O ATOM 429 CB LEU A2075 12.936 -3.577 -2.817 1.00 0.49 C ATOM 430 CG LEU A2075 11.849 -3.091 -1.856 1.00 0.44 C ATOM 431 CD1 LEU A2075 11.596 -4.114 -0.766 1.00 0.46 C ATOM 432 CD2 LEU A2075 12.212 -1.751 -1.246 1.00 0.52 C ATOM 0 H LEU A2075 10.981 -2.931 -4.265 1.00 0.43 H new ATOM 0 HA LEU A2075 13.669 -1.885 -3.915 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.733 -4.617 -3.074 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.894 -3.558 -2.297 1.00 0.49 H new ATOM 0 HG LEU A2075 10.933 -2.964 -2.433 1.00 0.44 H new ATOM 0 HD11 LEU A2075 10.820 -3.746 -0.095 1.00 0.46 H new ATOM 0 HD12 LEU A2075 11.272 -5.053 -1.216 1.00 0.46 H new ATOM 0 HD13 LEU A2075 12.514 -4.280 -0.202 1.00 0.46 H new ATOM 0 HD21 LEU A2075 11.420 -1.433 -0.568 1.00 0.52 H new ATOM 0 HD22 LEU A2075 13.147 -1.844 -0.693 1.00 0.52 H new ATOM 0 HD23 LEU A2075 12.331 -1.011 -2.038 1.00 0.52 H new ATOM 444 N GLY A2076 12.968 -4.057 -6.150 1.00 0.57 N ATOM 445 CA GLY A2076 13.495 -4.838 -7.251 1.00 0.67 C ATOM 446 C GLY A2076 13.732 -6.287 -6.885 1.00 0.65 C ATOM 447 O GLY A2076 14.712 -6.885 -7.319 1.00 0.93 O ATOM 0 H GLY A2076 11.965 -3.880 -6.198 1.00 0.57 H new ATOM 0 HA2 GLY A2076 12.800 -4.789 -8.090 1.00 0.67 H new ATOM 0 HA3 GLY A2076 14.433 -4.396 -7.588 1.00 0.67 H new ATOM 451 N HIS A2077 12.837 -6.867 -6.093 1.00 0.51 N ATOM 452 CA HIS A2077 13.005 -8.256 -5.673 1.00 0.66 C ATOM 453 C HIS A2077 11.816 -9.110 -6.098 1.00 0.68 C ATOM 454 O HIS A2077 11.893 -10.338 -6.115 1.00 0.97 O ATOM 455 CB HIS A2077 13.242 -8.344 -4.156 1.00 0.81 C ATOM 456 CG HIS A2077 12.028 -8.225 -3.292 1.00 0.50 C ATOM 457 ND1 HIS A2077 11.351 -9.311 -2.798 1.00 0.54 N ATOM 458 CD2 HIS A2077 11.412 -7.139 -2.786 1.00 0.74 C ATOM 459 CE1 HIS A2077 10.371 -8.898 -2.024 1.00 0.61 C ATOM 460 NE2 HIS A2077 10.387 -7.579 -1.994 1.00 0.80 N ATOM 0 H HIS A2077 12.001 -6.408 -5.733 1.00 0.51 H new ATOM 0 HA HIS A2077 13.888 -8.653 -6.174 1.00 0.66 H new ATOM 0 HB2 HIS A2077 13.725 -9.297 -3.939 1.00 0.81 H new ATOM 0 HB3 HIS A2077 13.943 -7.559 -3.872 1.00 0.81 H new ATOM 0 HD1 HIS A2077 11.573 -10.286 -2.999 1.00 0.54 H new ATOM 0 HD2 HIS A2077 11.679 -6.109 -2.972 1.00 0.74 H new ATOM 0 HE1 HIS A2077 9.671 -9.532 -1.501 1.00 0.61 H new ATOM 469 N HIS A2078 10.727 -8.433 -6.459 1.00 0.62 N ATOM 470 CA HIS A2078 9.497 -9.078 -6.915 1.00 0.69 C ATOM 471 C HIS A2078 8.845 -9.881 -5.794 1.00 0.80 C ATOM 472 O HIS A2078 9.335 -9.892 -4.673 1.00 1.56 O ATOM 473 CB HIS A2078 9.751 -9.950 -8.151 1.00 0.81 C ATOM 474 CG HIS A2078 10.226 -9.159 -9.330 1.00 0.88 C ATOM 475 ND1 HIS A2078 9.391 -8.376 -10.096 1.00 0.93 N ATOM 476 CD2 HIS A2078 11.467 -8.990 -9.839 1.00 0.96 C ATOM 477 CE1 HIS A2078 10.098 -7.756 -11.023 1.00 1.03 C ATOM 478 NE2 HIS A2078 11.362 -8.112 -10.889 1.00 1.05 N ATOM 0 H HIS A2078 10.673 -7.415 -6.443 1.00 0.62 H new ATOM 0 HA HIS A2078 8.800 -8.292 -7.205 1.00 0.69 H new ATOM 0 HB2 HIS A2078 10.492 -10.711 -7.907 1.00 0.81 H new ATOM 0 HB3 HIS A2078 8.832 -10.473 -8.416 1.00 0.81 H new ATOM 0 HD2 HIS A2078 12.373 -9.459 -9.485 1.00 0.96 H new ATOM 0 HE1 HIS A2078 9.709 -7.074 -11.764 1.00 1.03 H new ATOM 0 HE2 HIS A2078 12.135 -7.788 -11.471 1.00 1.05 H new ATOM 487 N THR A2079 7.733 -10.526 -6.120 1.00 0.64 N ATOM 488 CA THR A2079 6.878 -11.237 -5.164 1.00 0.67 C ATOM 489 C THR A2079 6.415 -10.391 -3.973 1.00 0.44 C ATOM 490 O THR A2079 7.200 -9.990 -3.115 1.00 0.54 O ATOM 491 CB THR A2079 7.457 -12.517 -4.587 1.00 1.02 C ATOM 492 OG1 THR A2079 8.778 -12.324 -4.072 1.00 1.82 O ATOM 493 CG2 THR A2079 7.448 -13.639 -5.591 1.00 0.59 C ATOM 0 H THR A2079 7.387 -10.574 -7.078 1.00 0.64 H new ATOM 0 HA THR A2079 6.034 -11.484 -5.808 1.00 0.67 H new ATOM 0 HB THR A2079 6.809 -12.798 -3.757 1.00 1.02 H new ATOM 0 HG1 THR A2079 8.940 -11.367 -3.938 1.00 1.82 H new ATOM 0 HG21 THR A2079 7.870 -14.536 -5.138 1.00 0.59 H new ATOM 0 HG22 THR A2079 6.423 -13.839 -5.904 1.00 0.59 H new ATOM 0 HG23 THR A2079 8.044 -13.356 -6.459 1.00 0.59 H new ATOM 501 N PRO A2080 5.109 -10.168 -3.893 1.00 0.29 N ATOM 502 CA PRO A2080 4.454 -9.492 -2.779 1.00 0.32 C ATOM 503 C PRO A2080 4.234 -10.446 -1.612 1.00 0.45 C ATOM 504 O PRO A2080 3.982 -10.036 -0.479 1.00 0.51 O ATOM 505 CB PRO A2080 3.108 -9.057 -3.381 1.00 0.39 C ATOM 506 CG PRO A2080 3.228 -9.350 -4.839 1.00 0.39 C ATOM 507 CD PRO A2080 4.150 -10.522 -4.914 1.00 0.32 C ATOM 0 HA PRO A2080 5.040 -8.664 -2.380 1.00 0.32 H new ATOM 0 HB2 PRO A2080 2.279 -9.606 -2.934 1.00 0.39 H new ATOM 0 HB3 PRO A2080 2.920 -7.998 -3.205 1.00 0.39 H new ATOM 0 HG2 PRO A2080 2.257 -9.581 -5.278 1.00 0.39 H new ATOM 0 HG3 PRO A2080 3.629 -8.495 -5.383 1.00 0.39 H new ATOM 0 HD2 PRO A2080 3.643 -11.463 -4.699 1.00 0.32 H new ATOM 0 HD3 PRO A2080 4.610 -10.626 -5.897 1.00 0.32 H new ATOM 515 N GLU A2081 4.333 -11.734 -1.905 1.00 0.53 N ATOM 516 CA GLU A2081 4.221 -12.755 -0.882 1.00 0.64 C ATOM 517 C GLU A2081 5.530 -12.865 -0.116 1.00 0.56 C ATOM 518 O GLU A2081 5.573 -13.394 0.993 1.00 0.70 O ATOM 519 CB GLU A2081 3.837 -14.098 -1.506 1.00 0.84 C ATOM 520 CG GLU A2081 4.776 -14.557 -2.609 1.00 0.93 C ATOM 521 CD GLU A2081 4.268 -15.796 -3.311 1.00 1.28 C ATOM 522 OE1 GLU A2081 3.641 -15.658 -4.381 1.00 1.54 O ATOM 523 OE2 GLU A2081 4.486 -16.910 -2.794 1.00 1.45 O ATOM 0 H GLU A2081 4.491 -12.094 -2.846 1.00 0.53 H new ATOM 0 HA GLU A2081 3.434 -12.473 -0.183 1.00 0.64 H new ATOM 0 HB2 GLU A2081 3.813 -14.857 -0.724 1.00 0.84 H new ATOM 0 HB3 GLU A2081 2.827 -14.024 -1.910 1.00 0.84 H new ATOM 0 HG2 GLU A2081 4.900 -13.754 -3.336 1.00 0.93 H new ATOM 0 HG3 GLU A2081 5.760 -14.759 -2.186 1.00 0.93 H new ATOM 530 N SER A2082 6.595 -12.332 -0.705 1.00 0.43 N ATOM 531 CA SER A2082 7.892 -12.319 -0.052 1.00 0.43 C ATOM 532 C SER A2082 8.083 -11.000 0.697 1.00 0.33 C ATOM 533 O SER A2082 9.204 -10.584 0.986 1.00 0.38 O ATOM 534 CB SER A2082 8.998 -12.523 -1.085 1.00 0.54 C ATOM 535 OG SER A2082 10.266 -12.673 -0.468 1.00 0.63 O ATOM 0 H SER A2082 6.583 -11.905 -1.631 1.00 0.43 H new ATOM 0 HA SER A2082 7.942 -13.135 0.669 1.00 0.43 H new ATOM 0 HB2 SER A2082 8.778 -13.406 -1.685 1.00 0.54 H new ATOM 0 HB3 SER A2082 9.022 -11.672 -1.766 1.00 0.54 H new ATOM 0 HG SER A2082 10.324 -12.079 0.309 1.00 0.63 H new ATOM 541 N ILE A2083 6.970 -10.350 1.000 1.00 0.25 N ATOM 542 CA ILE A2083 6.982 -9.077 1.709 1.00 0.17 C ATOM 543 C ILE A2083 6.531 -9.274 3.148 1.00 0.15 C ATOM 544 O ILE A2083 5.439 -9.784 3.394 1.00 0.22 O ATOM 545 CB ILE A2083 6.051 -8.064 1.017 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.389 -7.991 -0.469 1.00 0.18 C ATOM 547 CG2 ILE A2083 6.159 -6.680 1.659 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.667 -7.257 -0.764 1.00 0.22 C ATOM 0 H ILE A2083 6.037 -10.687 0.763 1.00 0.25 H new ATOM 0 HA ILE A2083 8.001 -8.690 1.697 1.00 0.17 H new ATOM 0 HB ILE A2083 5.022 -8.403 1.137 1.00 0.13 H new ATOM 0 HG12 ILE A2083 6.462 -9.004 -0.866 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.570 -7.501 -0.995 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.490 -5.988 1.148 1.00 0.12 H new ATOM 0 HG22 ILE A2083 5.880 -6.744 2.711 1.00 0.12 H new ATOM 0 HG23 ILE A2083 7.184 -6.320 1.577 1.00 0.12 H new ATOM 0 HD11 ILE A2083 7.840 -7.247 -1.840 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.591 -6.233 -0.399 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.498 -7.759 -0.267 1.00 0.22 H new ATOM 560 N SER A2084 7.381 -8.892 4.087 1.00 0.14 N ATOM 561 CA SER A2084 7.059 -9.006 5.499 1.00 0.14 C ATOM 562 C SER A2084 6.321 -7.759 5.982 1.00 0.12 C ATOM 563 O SER A2084 6.903 -6.679 6.058 1.00 0.12 O ATOM 564 CB SER A2084 8.341 -9.205 6.305 1.00 0.19 C ATOM 565 OG SER A2084 9.092 -10.296 5.797 1.00 0.28 O ATOM 0 H SER A2084 8.302 -8.499 3.895 1.00 0.14 H new ATOM 0 HA SER A2084 6.408 -9.868 5.643 1.00 0.14 H new ATOM 0 HB2 SER A2084 8.942 -8.296 6.270 1.00 0.19 H new ATOM 0 HB3 SER A2084 8.094 -9.384 7.351 1.00 0.19 H new ATOM 0 HG SER A2084 9.910 -10.405 6.326 1.00 0.28 H new ATOM 571 N PRO A2085 5.021 -7.892 6.304 1.00 0.12 N ATOM 572 CA PRO A2085 4.200 -6.770 6.761 1.00 0.12 C ATOM 573 C PRO A2085 4.618 -6.253 8.121 1.00 0.12 C ATOM 574 O PRO A2085 4.390 -5.088 8.449 1.00 0.13 O ATOM 575 CB PRO A2085 2.789 -7.345 6.841 1.00 0.15 C ATOM 576 CG PRO A2085 2.971 -8.819 6.947 1.00 0.15 C ATOM 577 CD PRO A2085 4.250 -9.146 6.232 1.00 0.14 C ATOM 0 HA PRO A2085 4.293 -5.920 6.085 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.252 -6.952 7.704 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.207 -7.083 5.958 1.00 0.15 H new ATOM 0 HG2 PRO A2085 3.020 -9.129 7.991 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.130 -9.347 6.497 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.778 -9.969 6.713 1.00 0.14 H new ATOM 0 HD3 PRO A2085 4.067 -9.445 5.200 1.00 0.14 H new ATOM 585 N ALA A2086 5.212 -7.126 8.915 1.00 0.11 N ATOM 586 CA ALA A2086 5.639 -6.754 10.253 1.00 0.12 C ATOM 587 C ALA A2086 6.945 -5.974 10.213 1.00 0.11 C ATOM 588 O ALA A2086 7.229 -5.168 11.101 1.00 0.14 O ATOM 589 CB ALA A2086 5.785 -7.984 11.130 1.00 0.14 C ATOM 0 H ALA A2086 5.409 -8.093 8.659 1.00 0.11 H new ATOM 0 HA ALA A2086 4.871 -6.110 10.682 1.00 0.12 H new ATOM 0 HB1 ALA A2086 6.105 -7.684 12.128 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.827 -8.499 11.196 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.528 -8.654 10.697 1.00 0.14 H new ATOM 595 N THR A2087 7.748 -6.224 9.191 1.00 0.10 N ATOM 596 CA THR A2087 8.957 -5.464 8.992 1.00 0.11 C ATOM 597 C THR A2087 8.604 -4.107 8.435 1.00 0.10 C ATOM 598 O THR A2087 7.660 -3.958 7.661 1.00 0.10 O ATOM 599 CB THR A2087 9.920 -6.144 8.013 1.00 0.14 C ATOM 600 OG1 THR A2087 10.155 -7.501 8.411 1.00 0.16 O ATOM 601 CG2 THR A2087 11.244 -5.388 7.920 1.00 0.16 C ATOM 0 H THR A2087 7.579 -6.947 8.492 1.00 0.10 H new ATOM 0 HA THR A2087 9.451 -5.384 9.960 1.00 0.11 H new ATOM 0 HB THR A2087 9.456 -6.135 7.027 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.770 -7.926 7.777 1.00 0.16 H new ATOM 0 HG21 THR A2087 11.905 -5.896 7.218 1.00 0.16 H new ATOM 0 HG22 THR A2087 11.059 -4.371 7.573 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.715 -5.356 8.903 1.00 0.16 H new ATOM 609 N ALA A2088 9.368 -3.131 8.829 1.00 0.12 N ATOM 610 CA ALA A2088 9.169 -1.789 8.353 1.00 0.12 C ATOM 611 C ALA A2088 9.817 -1.645 6.999 1.00 0.11 C ATOM 612 O ALA A2088 10.872 -2.226 6.745 1.00 0.12 O ATOM 613 CB ALA A2088 9.725 -0.777 9.334 1.00 0.15 C ATOM 0 H ALA A2088 10.142 -3.239 9.485 1.00 0.12 H new ATOM 0 HA ALA A2088 8.100 -1.595 8.261 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.562 0.230 8.950 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.220 -0.886 10.294 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.794 -0.946 9.465 1.00 0.15 H new ATOM 619 N PHE A2089 9.161 -0.894 6.134 1.00 0.10 N ATOM 620 CA PHE A2089 9.652 -0.655 4.780 1.00 0.09 C ATOM 621 C PHE A2089 11.122 -0.273 4.773 1.00 0.09 C ATOM 622 O PHE A2089 11.862 -0.664 3.873 1.00 0.12 O ATOM 623 CB PHE A2089 8.849 0.450 4.123 1.00 0.09 C ATOM 624 CG PHE A2089 7.525 0.003 3.588 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.457 -0.884 2.530 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.348 0.466 4.150 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.237 -1.301 2.043 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.127 0.053 3.663 1.00 0.12 C ATOM 629 CZ PHE A2089 5.076 -0.819 2.588 1.00 0.10 C ATOM 0 H PHE A2089 8.276 -0.432 6.344 1.00 0.10 H new ATOM 0 HA PHE A2089 9.536 -1.585 4.223 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.686 1.247 4.848 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.434 0.875 3.308 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.367 -1.253 2.081 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.387 1.158 4.978 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.196 -2.010 1.229 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.214 0.408 4.117 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.122 -1.119 2.180 1.00 0.10 H new ATOM 639 N LYS A2090 11.526 0.503 5.768 1.00 0.12 N ATOM 640 CA LYS A2090 12.915 0.856 5.951 1.00 0.16 C ATOM 641 C LYS A2090 13.797 -0.379 5.892 1.00 0.17 C ATOM 642 O LYS A2090 14.608 -0.531 4.980 1.00 0.20 O ATOM 643 CB LYS A2090 13.110 1.534 7.300 1.00 0.21 C ATOM 644 CG LYS A2090 14.561 1.835 7.601 1.00 0.29 C ATOM 645 CD LYS A2090 15.115 2.790 6.576 1.00 0.38 C ATOM 646 CE LYS A2090 16.073 2.100 5.634 1.00 1.54 C ATOM 647 NZ LYS A2090 16.473 2.973 4.498 1.00 1.69 N ATOM 0 H LYS A2090 10.898 0.902 6.466 1.00 0.12 H new ATOM 0 HA LYS A2090 13.196 1.538 5.148 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.539 2.462 7.321 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.706 0.894 8.085 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.652 2.266 8.598 1.00 0.29 H new ATOM 0 HG3 LYS A2090 15.140 0.911 7.599 1.00 0.29 H new ATOM 0 HD2 LYS A2090 14.296 3.228 6.006 1.00 0.38 H new ATOM 0 HD3 LYS A2090 15.627 3.610 7.081 1.00 0.38 H new ATOM 0 HE2 LYS A2090 16.962 1.793 6.184 1.00 1.54 H new ATOM 0 HE3 LYS A2090 15.609 1.193 5.247 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 17.364 2.625 4.090 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 15.730 2.958 3.770 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 16.605 3.947 4.838 1.00 1.69 H new ATOM 661 N ASP A2091 13.620 -1.252 6.872 1.00 0.17 N ATOM 662 CA ASP A2091 14.410 -2.474 6.971 1.00 0.20 C ATOM 663 C ASP A2091 14.302 -3.304 5.693 1.00 0.20 C ATOM 664 O ASP A2091 15.248 -3.986 5.294 1.00 0.32 O ATOM 665 CB ASP A2091 13.965 -3.307 8.175 1.00 0.24 C ATOM 666 CG ASP A2091 14.841 -4.524 8.406 1.00 1.23 C ATOM 667 OD1 ASP A2091 14.605 -5.562 7.749 1.00 2.27 O ATOM 668 OD2 ASP A2091 15.775 -4.452 9.235 1.00 1.15 O ATOM 0 H ASP A2091 12.932 -1.137 7.616 1.00 0.17 H new ATOM 0 HA ASP A2091 15.452 -2.186 7.107 1.00 0.20 H new ATOM 0 HB2 ASP A2091 13.977 -2.682 9.068 1.00 0.24 H new ATOM 0 HB3 ASP A2091 12.935 -3.630 8.026 1.00 0.24 H new ATOM 673 N LEU A2092 13.147 -3.217 5.049 1.00 0.16 N ATOM 674 CA LEU A2092 12.884 -3.944 3.815 1.00 0.18 C ATOM 675 C LEU A2092 13.705 -3.401 2.645 1.00 0.19 C ATOM 676 O LEU A2092 13.872 -4.078 1.631 1.00 0.24 O ATOM 677 CB LEU A2092 11.387 -3.887 3.510 1.00 0.17 C ATOM 678 CG LEU A2092 10.523 -4.607 4.543 1.00 0.19 C ATOM 679 CD1 LEU A2092 9.050 -4.301 4.361 1.00 0.18 C ATOM 680 CD2 LEU A2092 10.758 -6.098 4.461 1.00 0.23 C ATOM 0 H LEU A2092 12.367 -2.642 5.366 1.00 0.16 H new ATOM 0 HA LEU A2092 13.188 -4.982 3.951 1.00 0.18 H new ATOM 0 HB2 LEU A2092 11.076 -2.844 3.453 1.00 0.17 H new ATOM 0 HB3 LEU A2092 11.208 -4.327 2.529 1.00 0.17 H new ATOM 0 HG LEU A2092 10.814 -4.244 5.529 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.472 -4.833 5.116 1.00 0.18 H new ATOM 0 HD12 LEU A2092 8.885 -3.229 4.467 1.00 0.18 H new ATOM 0 HD13 LEU A2092 8.732 -4.621 3.369 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.139 -6.605 5.201 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.497 -6.453 3.464 1.00 0.23 H new ATOM 0 HD23 LEU A2092 11.808 -6.312 4.659 1.00 0.23 H new ATOM 692 N GLY A2093 14.231 -2.190 2.792 1.00 0.16 N ATOM 693 CA GLY A2093 15.094 -1.634 1.770 1.00 0.18 C ATOM 694 C GLY A2093 14.590 -0.321 1.205 1.00 0.15 C ATOM 695 O GLY A2093 15.239 0.273 0.343 1.00 0.20 O ATOM 0 H GLY A2093 14.075 -1.586 3.599 1.00 0.16 H new ATOM 0 HA2 GLY A2093 16.089 -1.483 2.188 1.00 0.18 H new ATOM 0 HA3 GLY A2093 15.195 -2.355 0.959 1.00 0.18 H new ATOM 699 N ILE A2094 13.441 0.138 1.678 1.00 0.13 N ATOM 700 CA ILE A2094 12.844 1.359 1.172 1.00 0.12 C ATOM 701 C ILE A2094 13.692 2.598 1.452 1.00 0.12 C ATOM 702 O ILE A2094 14.184 2.805 2.566 1.00 0.16 O ATOM 703 CB ILE A2094 11.428 1.533 1.751 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.457 0.649 0.974 1.00 0.18 C ATOM 705 CG2 ILE A2094 10.988 2.989 1.733 1.00 0.18 C ATOM 706 CD1 ILE A2094 10.117 1.187 -0.393 1.00 0.32 C ATOM 0 H ILE A2094 12.904 -0.320 2.414 1.00 0.13 H new ATOM 0 HA ILE A2094 12.788 1.261 0.088 1.00 0.12 H new ATOM 0 HB ILE A2094 11.435 1.224 2.796 1.00 0.12 H new ATOM 0 HG12 ILE A2094 10.890 -0.346 0.867 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.539 0.537 1.551 1.00 0.18 H new ATOM 0 HG21 ILE A2094 9.984 3.071 2.149 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.678 3.585 2.330 1.00 0.18 H new ATOM 0 HG23 ILE A2094 10.986 3.356 0.707 1.00 0.18 H new ATOM 0 HD11 ILE A2094 9.423 0.509 -0.889 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.655 2.169 -0.293 1.00 0.32 H new ATOM 0 HD13 ILE A2094 11.027 1.273 -0.987 1.00 0.32 H new ATOM 718 N ASP A2095 13.868 3.400 0.408 1.00 0.15 N ATOM 719 CA ASP A2095 14.512 4.701 0.515 1.00 0.19 C ATOM 720 C ASP A2095 13.442 5.777 0.368 1.00 0.16 C ATOM 721 O ASP A2095 12.341 5.463 -0.064 1.00 0.17 O ATOM 722 CB ASP A2095 15.582 4.852 -0.578 1.00 0.28 C ATOM 723 CG ASP A2095 16.280 6.197 -0.549 1.00 1.04 C ATOM 724 OD1 ASP A2095 17.338 6.308 0.103 1.00 1.23 O ATOM 725 OD2 ASP A2095 15.774 7.148 -1.180 1.00 1.86 O ATOM 0 H ASP A2095 13.567 3.165 -0.538 1.00 0.15 H new ATOM 0 HA ASP A2095 15.004 4.800 1.483 1.00 0.19 H new ATOM 0 HB2 ASP A2095 16.324 4.062 -0.462 1.00 0.28 H new ATOM 0 HB3 ASP A2095 15.117 4.712 -1.554 1.00 0.28 H new ATOM 730 N SER A2096 13.737 7.019 0.718 1.00 0.19 N ATOM 731 CA SER A2096 12.753 8.098 0.613 1.00 0.20 C ATOM 732 C SER A2096 12.155 8.181 -0.800 1.00 0.17 C ATOM 733 O SER A2096 10.966 8.475 -0.966 1.00 0.20 O ATOM 734 CB SER A2096 13.400 9.431 0.987 1.00 0.26 C ATOM 735 OG SER A2096 12.447 10.482 1.015 1.00 1.32 O ATOM 0 H SER A2096 14.646 7.310 1.077 1.00 0.19 H new ATOM 0 HA SER A2096 11.941 7.880 1.307 1.00 0.20 H new ATOM 0 HB2 SER A2096 13.876 9.344 1.964 1.00 0.26 H new ATOM 0 HB3 SER A2096 14.185 9.669 0.270 1.00 0.26 H new ATOM 0 HG SER A2096 12.892 11.321 1.259 1.00 1.32 H new ATOM 741 N LEU A2097 12.974 7.897 -1.809 1.00 0.17 N ATOM 742 CA LEU A2097 12.534 7.954 -3.200 1.00 0.19 C ATOM 743 C LEU A2097 11.526 6.870 -3.468 1.00 0.18 C ATOM 744 O LEU A2097 10.433 7.126 -3.953 1.00 0.24 O ATOM 745 CB LEU A2097 13.715 7.769 -4.136 1.00 0.23 C ATOM 746 CG LEU A2097 14.893 8.702 -3.889 1.00 1.07 C ATOM 747 CD1 LEU A2097 16.014 8.416 -4.874 1.00 1.61 C ATOM 748 CD2 LEU A2097 14.459 10.160 -3.980 1.00 1.55 C ATOM 0 H LEU A2097 13.949 7.624 -1.689 1.00 0.17 H new ATOM 0 HA LEU A2097 12.081 8.930 -3.375 1.00 0.19 H new ATOM 0 HB2 LEU A2097 14.064 6.740 -4.054 1.00 0.23 H new ATOM 0 HB3 LEU A2097 13.371 7.908 -5.161 1.00 0.23 H new ATOM 0 HG LEU A2097 15.265 8.521 -2.880 1.00 1.07 H new ATOM 0 HD11 LEU A2097 16.848 9.092 -4.683 1.00 1.61 H new ATOM 0 HD12 LEU A2097 16.348 7.385 -4.756 1.00 1.61 H new ATOM 0 HD13 LEU A2097 15.652 8.565 -5.891 1.00 1.61 H new ATOM 0 HD21 LEU A2097 15.317 10.807 -3.800 1.00 1.55 H new ATOM 0 HD22 LEU A2097 14.057 10.359 -4.973 1.00 1.55 H new ATOM 0 HD23 LEU A2097 13.692 10.359 -3.232 1.00 1.55 H new ATOM 760 N THR A2098 11.901 5.654 -3.153 1.00 0.14 N ATOM 761 CA THR A2098 11.007 4.534 -3.336 1.00 0.15 C ATOM 762 C THR A2098 9.831 4.572 -2.375 1.00 0.16 C ATOM 763 O THR A2098 8.765 4.033 -2.669 1.00 0.17 O ATOM 764 CB THR A2098 11.730 3.199 -3.244 1.00 0.15 C ATOM 765 OG1 THR A2098 12.902 3.329 -2.428 1.00 0.17 O ATOM 766 CG2 THR A2098 12.098 2.741 -4.639 1.00 0.19 C ATOM 0 H THR A2098 12.815 5.414 -2.770 1.00 0.14 H new ATOM 0 HA THR A2098 10.612 4.630 -4.347 1.00 0.15 H new ATOM 0 HB THR A2098 11.078 2.457 -2.784 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.360 2.464 -2.373 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.617 1.784 -4.583 1.00 0.19 H new ATOM 0 HG22 THR A2098 11.193 2.628 -5.236 1.00 0.19 H new ATOM 0 HG23 THR A2098 12.750 3.480 -5.105 1.00 0.19 H new ATOM 774 N ALA A2099 10.024 5.210 -1.233 1.00 0.16 N ATOM 775 CA ALA A2099 8.925 5.492 -0.328 1.00 0.18 C ATOM 776 C ALA A2099 7.895 6.362 -1.038 1.00 0.21 C ATOM 777 O ALA A2099 6.709 6.363 -0.711 1.00 0.24 O ATOM 778 CB ALA A2099 9.436 6.191 0.925 1.00 0.18 C ATOM 0 H ALA A2099 10.933 5.542 -0.911 1.00 0.16 H new ATOM 0 HA ALA A2099 8.457 4.554 -0.029 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.600 6.396 1.594 1.00 0.18 H new ATOM 0 HB2 ALA A2099 10.157 5.549 1.431 1.00 0.18 H new ATOM 0 HB3 ALA A2099 9.917 7.129 0.648 1.00 0.18 H new ATOM 784 N LEU A2100 8.375 7.078 -2.038 1.00 0.20 N ATOM 785 CA LEU A2100 7.547 7.943 -2.843 1.00 0.24 C ATOM 786 C LEU A2100 7.007 7.150 -4.031 1.00 0.20 C ATOM 787 O LEU A2100 5.852 7.307 -4.423 1.00 0.21 O ATOM 788 CB LEU A2100 8.383 9.162 -3.276 1.00 0.30 C ATOM 789 CG LEU A2100 8.348 9.518 -4.758 1.00 0.24 C ATOM 790 CD1 LEU A2100 7.045 10.211 -5.112 1.00 1.03 C ATOM 791 CD2 LEU A2100 9.537 10.382 -5.132 1.00 1.15 C ATOM 0 H LEU A2100 9.357 7.072 -2.313 1.00 0.20 H new ATOM 0 HA LEU A2100 6.689 8.311 -2.280 1.00 0.24 H new ATOM 0 HB2 LEU A2100 8.043 10.028 -2.709 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.420 8.983 -2.992 1.00 0.30 H new ATOM 0 HG LEU A2100 8.408 8.593 -5.332 1.00 0.24 H new ATOM 0 HD11 LEU A2100 7.040 10.457 -6.174 1.00 1.03 H new ATOM 0 HD12 LEU A2100 6.208 9.549 -4.889 1.00 1.03 H new ATOM 0 HD13 LEU A2100 6.949 11.126 -4.528 1.00 1.03 H new ATOM 0 HD21 LEU A2100 9.491 10.624 -6.194 1.00 1.15 H new ATOM 0 HD22 LEU A2100 9.515 11.303 -4.549 1.00 1.15 H new ATOM 0 HD23 LEU A2100 10.460 9.841 -4.922 1.00 1.15 H new ATOM 803 N GLU A2101 7.844 6.267 -4.572 1.00 0.21 N ATOM 804 CA GLU A2101 7.466 5.436 -5.710 1.00 0.20 C ATOM 805 C GLU A2101 6.368 4.453 -5.336 1.00 0.17 C ATOM 806 O GLU A2101 5.489 4.159 -6.148 1.00 0.17 O ATOM 807 CB GLU A2101 8.673 4.678 -6.230 1.00 0.23 C ATOM 808 CG GLU A2101 9.830 5.585 -6.568 1.00 0.28 C ATOM 809 CD GLU A2101 10.874 4.902 -7.419 1.00 0.33 C ATOM 810 OE1 GLU A2101 12.038 4.811 -6.971 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.541 4.447 -8.528 1.00 0.45 O ATOM 0 H GLU A2101 8.794 6.109 -4.237 1.00 0.21 H new ATOM 0 HA GLU A2101 7.086 6.095 -6.491 1.00 0.20 H new ATOM 0 HB2 GLU A2101 8.992 3.953 -5.481 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.388 4.114 -7.118 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.456 6.464 -7.093 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.292 5.937 -5.646 1.00 0.28 H new ATOM 818 N LEU A2102 6.433 3.931 -4.116 1.00 0.16 N ATOM 819 CA LEU A2102 5.369 3.102 -3.595 1.00 0.16 C ATOM 820 C LEU A2102 4.068 3.836 -3.685 1.00 0.16 C ATOM 821 O LEU A2102 3.150 3.417 -4.377 1.00 0.21 O ATOM 822 CB LEU A2102 5.626 2.752 -2.143 1.00 0.22 C ATOM 823 CG LEU A2102 6.660 1.675 -1.916 1.00 0.53 C ATOM 824 CD1 LEU A2102 6.559 1.152 -0.508 1.00 1.09 C ATOM 825 CD2 LEU A2102 6.476 0.561 -2.919 1.00 1.13 C ATOM 0 H LEU A2102 7.214 4.071 -3.475 1.00 0.16 H new ATOM 0 HA LEU A2102 5.329 2.187 -4.186 1.00 0.16 H new ATOM 0 HB2 LEU A2102 5.942 3.654 -1.619 1.00 0.22 H new ATOM 0 HB3 LEU A2102 4.687 2.433 -1.691 1.00 0.22 H new ATOM 0 HG LEU A2102 7.655 2.099 -2.054 1.00 0.53 H new ATOM 0 HD11 LEU A2102 7.308 0.376 -0.354 1.00 1.09 H new ATOM 0 HD12 LEU A2102 6.730 1.967 0.196 1.00 1.09 H new ATOM 0 HD13 LEU A2102 5.565 0.734 -0.345 1.00 1.09 H new ATOM 0 HD21 LEU A2102 7.226 -0.211 -2.747 1.00 1.13 H new ATOM 0 HD22 LEU A2102 5.481 0.131 -2.807 1.00 1.13 H new ATOM 0 HD23 LEU A2102 6.588 0.958 -3.928 1.00 1.13 H new ATOM 837 N ARG A2103 4.023 4.942 -2.978 1.00 0.18 N ATOM 838 CA ARG A2103 2.889 5.835 -2.990 1.00 0.25 C ATOM 839 C ARG A2103 2.450 6.152 -4.422 1.00 0.22 C ATOM 840 O ARG A2103 1.261 6.204 -4.699 1.00 0.24 O ATOM 841 CB ARG A2103 3.268 7.108 -2.221 1.00 0.37 C ATOM 842 CG ARG A2103 2.320 8.278 -2.404 1.00 0.72 C ATOM 843 CD ARG A2103 2.754 9.185 -3.550 1.00 0.65 C ATOM 844 NE ARG A2103 1.919 10.379 -3.645 1.00 1.21 N ATOM 845 CZ ARG A2103 1.990 11.275 -4.627 1.00 1.49 C ATOM 846 NH1 ARG A2103 2.820 11.098 -5.651 1.00 1.92 N ATOM 847 NH2 ARG A2103 1.215 12.350 -4.589 1.00 2.11 N ATOM 0 H ARG A2103 4.783 5.250 -2.371 1.00 0.18 H new ATOM 0 HA ARG A2103 2.038 5.358 -2.504 1.00 0.25 H new ATOM 0 HB2 ARG A2103 3.324 6.869 -1.159 1.00 0.37 H new ATOM 0 HB3 ARG A2103 4.266 7.417 -2.531 1.00 0.37 H new ATOM 0 HG2 ARG A2103 1.314 7.904 -2.597 1.00 0.72 H new ATOM 0 HG3 ARG A2103 2.273 8.856 -1.481 1.00 0.72 H new ATOM 0 HD2 ARG A2103 3.794 9.479 -3.406 1.00 0.65 H new ATOM 0 HD3 ARG A2103 2.706 8.633 -4.488 1.00 0.65 H new ATOM 0 HE ARG A2103 1.233 10.538 -2.907 1.00 1.21 H new ATOM 0 HH11 ARG A2103 3.412 10.268 -5.690 1.00 1.92 H new ATOM 0 HH12 ARG A2103 2.865 11.792 -6.397 1.00 1.92 H new ATOM 0 HH21 ARG A2103 0.570 12.486 -3.811 1.00 2.11 H new ATOM 0 HH22 ARG A2103 1.264 13.041 -5.338 1.00 2.11 H new ATOM 861 N ASN A2104 3.407 6.341 -5.322 1.00 0.21 N ATOM 862 CA ASN A2104 3.109 6.602 -6.725 1.00 0.22 C ATOM 863 C ASN A2104 2.262 5.484 -7.330 1.00 0.23 C ATOM 864 O ASN A2104 1.195 5.732 -7.894 1.00 0.29 O ATOM 865 CB ASN A2104 4.411 6.766 -7.515 1.00 0.23 C ATOM 866 CG ASN A2104 5.032 8.138 -7.352 1.00 0.31 C ATOM 867 OD1 ASN A2104 4.348 9.107 -7.017 1.00 0.40 O ATOM 868 ND2 ASN A2104 6.325 8.238 -7.621 1.00 0.36 N ATOM 0 H ASN A2104 4.403 6.318 -5.103 1.00 0.21 H new ATOM 0 HA ASN A2104 2.534 7.526 -6.783 1.00 0.22 H new ATOM 0 HB2 ASN A2104 5.125 6.009 -7.190 1.00 0.23 H new ATOM 0 HB3 ASN A2104 4.214 6.585 -8.572 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.791 9.143 -7.554 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.854 7.410 -7.895 1.00 0.36 H new ATOM 875 N THR A2105 2.732 4.254 -7.188 1.00 0.21 N ATOM 876 CA THR A2105 2.025 3.087 -7.706 1.00 0.24 C ATOM 877 C THR A2105 0.764 2.795 -6.887 1.00 0.22 C ATOM 878 O THR A2105 -0.293 2.471 -7.434 1.00 0.24 O ATOM 879 CB THR A2105 2.956 1.853 -7.682 1.00 0.28 C ATOM 880 OG1 THR A2105 4.095 2.088 -8.523 1.00 0.33 O ATOM 881 CG2 THR A2105 2.233 0.591 -8.140 1.00 0.28 C ATOM 0 H THR A2105 3.608 4.035 -6.714 1.00 0.21 H new ATOM 0 HA THR A2105 1.726 3.302 -8.732 1.00 0.24 H new ATOM 0 HB THR A2105 3.279 1.700 -6.652 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.683 1.304 -8.504 1.00 0.33 H new ATOM 0 HG21 THR A2105 2.921 -0.254 -8.109 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.388 0.396 -7.479 1.00 0.28 H new ATOM 0 HG23 THR A2105 1.872 0.728 -9.159 1.00 0.28 H new ATOM 889 N LEU A2106 0.881 2.943 -5.579 1.00 0.20 N ATOM 890 CA LEU A2106 -0.155 2.599 -4.649 1.00 0.19 C ATOM 891 C LEU A2106 -1.322 3.589 -4.698 1.00 0.18 C ATOM 892 O LEU A2106 -2.477 3.178 -4.698 1.00 0.22 O ATOM 893 CB LEU A2106 0.543 2.537 -3.295 1.00 0.28 C ATOM 894 CG LEU A2106 -0.279 2.687 -2.041 1.00 0.50 C ATOM 895 CD1 LEU A2106 0.495 2.042 -0.918 1.00 1.25 C ATOM 896 CD2 LEU A2106 -0.506 4.156 -1.739 1.00 1.47 C ATOM 0 H LEU A2106 1.721 3.314 -5.135 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.627 1.645 -4.883 1.00 0.19 H new ATOM 0 HB2 LEU A2106 1.062 1.580 -3.236 1.00 0.28 H new ATOM 0 HB3 LEU A2106 1.307 3.315 -3.283 1.00 0.28 H new ATOM 0 HG LEU A2106 -1.254 2.214 -2.160 1.00 0.50 H new ATOM 0 HD11 LEU A2106 -0.069 2.130 0.010 1.00 1.25 H new ATOM 0 HD12 LEU A2106 0.657 0.988 -1.146 1.00 1.25 H new ATOM 0 HD13 LEU A2106 1.458 2.541 -0.806 1.00 1.25 H new ATOM 0 HD21 LEU A2106 -1.101 4.253 -0.831 1.00 1.47 H new ATOM 0 HD22 LEU A2106 0.455 4.651 -1.598 1.00 1.47 H new ATOM 0 HD23 LEU A2106 -1.035 4.621 -2.571 1.00 1.47 H new ATOM 908 N THR A2107 -1.026 4.884 -4.770 1.00 0.19 N ATOM 909 CA THR A2107 -2.074 5.898 -4.830 1.00 0.27 C ATOM 910 C THR A2107 -2.782 5.814 -6.183 1.00 0.29 C ATOM 911 O THR A2107 -3.951 6.168 -6.317 1.00 0.33 O ATOM 912 CB THR A2107 -1.518 7.327 -4.575 1.00 0.37 C ATOM 913 OG1 THR A2107 -2.543 8.174 -4.051 1.00 0.67 O ATOM 914 CG2 THR A2107 -0.954 7.963 -5.837 1.00 0.44 C ATOM 0 H THR A2107 -0.076 5.254 -4.788 1.00 0.19 H new ATOM 0 HA THR A2107 -2.792 5.699 -4.034 1.00 0.27 H new ATOM 0 HB THR A2107 -0.708 7.222 -3.854 1.00 0.37 H new ATOM 0 HG1 THR A2107 -3.211 8.348 -4.747 1.00 0.67 H new ATOM 0 HG21 THR A2107 -0.579 8.960 -5.606 1.00 0.44 H new ATOM 0 HG22 THR A2107 -0.140 7.349 -6.221 1.00 0.44 H new ATOM 0 HG23 THR A2107 -1.739 8.037 -6.589 1.00 0.44 H new ATOM 922 N HIS A2108 -2.049 5.332 -7.178 1.00 0.29 N ATOM 923 CA HIS A2108 -2.603 5.056 -8.495 1.00 0.35 C ATOM 924 C HIS A2108 -3.577 3.887 -8.423 1.00 0.35 C ATOM 925 O HIS A2108 -4.722 3.985 -8.859 1.00 0.47 O ATOM 926 CB HIS A2108 -1.466 4.732 -9.459 1.00 0.38 C ATOM 927 CG HIS A2108 -1.908 4.434 -10.854 1.00 0.61 C ATOM 928 ND1 HIS A2108 -2.154 5.401 -11.799 1.00 0.71 N ATOM 929 CD2 HIS A2108 -2.140 3.253 -11.456 1.00 1.06 C ATOM 930 CE1 HIS A2108 -2.523 4.825 -12.927 1.00 1.01 C ATOM 931 NE2 HIS A2108 -2.523 3.518 -12.748 1.00 1.29 N ATOM 0 H HIS A2108 -1.054 5.122 -7.094 1.00 0.29 H new ATOM 0 HA HIS A2108 -3.143 5.933 -8.851 1.00 0.35 H new ATOM 0 HB2 HIS A2108 -0.774 5.574 -9.482 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.913 3.875 -9.075 1.00 0.38 H new ATOM 0 HD2 HIS A2108 -2.043 2.276 -11.006 1.00 1.06 H new ATOM 0 HE1 HIS A2108 -2.781 5.337 -13.842 1.00 1.01 H new ATOM 0 HE2 HIS A2108 -2.767 2.821 -13.452 1.00 1.29 H new ATOM 940 N ASN A2109 -3.102 2.792 -7.859 1.00 0.27 N ATOM 941 CA ASN A2109 -3.883 1.558 -7.746 1.00 0.28 C ATOM 942 C ASN A2109 -5.131 1.727 -6.873 1.00 0.28 C ATOM 943 O ASN A2109 -6.186 1.170 -7.171 1.00 0.36 O ATOM 944 CB ASN A2109 -2.998 0.439 -7.197 1.00 0.28 C ATOM 945 CG ASN A2109 -2.329 -0.362 -8.300 1.00 0.35 C ATOM 946 OD1 ASN A2109 -2.863 -1.370 -8.760 1.00 0.40 O ATOM 947 ND2 ASN A2109 -1.163 0.084 -8.738 1.00 0.39 N ATOM 0 H ASN A2109 -2.164 2.725 -7.464 1.00 0.27 H new ATOM 0 HA ASN A2109 -4.232 1.299 -8.745 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.234 0.868 -6.549 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.601 -0.228 -6.581 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -0.674 -0.412 -9.483 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -0.753 0.924 -8.331 1.00 0.39 H new ATOM 954 N THR A2110 -5.005 2.507 -5.814 1.00 0.25 N ATOM 955 CA THR A2110 -6.105 2.758 -4.891 1.00 0.26 C ATOM 956 C THR A2110 -7.000 3.861 -5.426 1.00 0.27 C ATOM 957 O THR A2110 -8.158 4.001 -5.026 1.00 0.33 O ATOM 958 CB THR A2110 -5.556 3.144 -3.516 1.00 0.27 C ATOM 959 OG1 THR A2110 -4.672 4.264 -3.646 1.00 0.24 O ATOM 960 CG2 THR A2110 -4.810 1.979 -2.883 1.00 0.29 C ATOM 0 H THR A2110 -4.139 2.986 -5.567 1.00 0.25 H new ATOM 0 HA THR A2110 -6.696 1.847 -4.793 1.00 0.26 H new ATOM 0 HB THR A2110 -6.395 3.409 -2.873 1.00 0.27 H new ATOM 0 HG1 THR A2110 -3.758 3.944 -3.798 1.00 0.24 H new ATOM 0 HG21 THR A2110 -4.429 2.278 -1.906 1.00 0.29 H new ATOM 0 HG22 THR A2110 -5.488 1.134 -2.765 1.00 0.29 H new ATOM 0 HG23 THR A2110 -3.977 1.689 -3.524 1.00 0.29 H new ATOM 968 N GLY A2111 -6.450 4.638 -6.354 1.00 0.23 N ATOM 969 CA GLY A2111 -7.181 5.739 -6.938 1.00 0.26 C ATOM 970 C GLY A2111 -7.317 6.887 -5.963 1.00 0.29 C ATOM 971 O GLY A2111 -8.024 7.864 -6.215 1.00 0.36 O ATOM 0 H GLY A2111 -5.502 4.520 -6.712 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -6.669 6.082 -7.837 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -8.171 5.400 -7.244 1.00 0.26 H new ATOM 975 N LEU A2112 -6.642 6.740 -4.838 1.00 0.28 N ATOM 976 CA LEU A2112 -6.649 7.718 -3.776 1.00 0.34 C ATOM 977 C LEU A2112 -5.587 8.763 -4.005 1.00 0.29 C ATOM 978 O LEU A2112 -4.944 8.812 -5.057 1.00 0.29 O ATOM 979 CB LEU A2112 -6.362 7.008 -2.457 1.00 0.43 C ATOM 980 CG LEU A2112 -7.185 5.754 -2.211 1.00 0.33 C ATOM 981 CD1 LEU A2112 -6.556 4.888 -1.143 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.584 6.122 -1.812 1.00 0.47 C ATOM 0 H LEU A2112 -6.065 5.923 -4.637 1.00 0.28 H new ATOM 0 HA LEU A2112 -7.623 8.206 -3.751 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -5.305 6.743 -2.427 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -6.539 7.707 -1.639 1.00 0.43 H new ATOM 0 HG LEU A2112 -7.214 5.184 -3.140 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -7.167 3.999 -0.989 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -5.556 4.591 -1.458 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -6.491 5.449 -0.211 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -9.163 5.215 -1.639 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -8.557 6.716 -0.898 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.049 6.703 -2.609 1.00 0.47 H new ATOM 994 N ASP A2113 -5.413 9.593 -3.004 1.00 0.28 N ATOM 995 CA ASP A2113 -4.355 10.577 -3.003 1.00 0.28 C ATOM 996 C ASP A2113 -3.655 10.577 -1.670 1.00 0.30 C ATOM 997 O ASP A2113 -4.205 10.975 -0.642 1.00 0.35 O ATOM 998 CB ASP A2113 -4.903 11.946 -3.300 1.00 0.34 C ATOM 999 CG ASP A2113 -3.849 13.034 -3.203 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -2.966 13.092 -4.086 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -3.902 13.846 -2.255 1.00 0.43 O ATOM 0 H ASP A2113 -5.999 9.606 -2.169 1.00 0.28 H new ATOM 0 HA ASP A2113 -3.639 10.317 -3.782 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -5.333 11.951 -4.302 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -5.713 12.167 -2.604 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.450 10.096 -1.713 1.00 0.30 N ATOM 1007 CA LEU A2114 -1.627 9.927 -0.531 1.00 0.30 C ATOM 1008 C LEU A2114 -0.326 10.700 -0.655 1.00 0.30 C ATOM 1009 O LEU A2114 0.150 10.958 -1.759 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.302 8.448 -0.316 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.474 7.539 0.059 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -3.356 8.192 1.110 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.281 7.151 -1.165 1.00 0.91 C ATOM 0 H LEU A2114 -1.995 9.803 -2.577 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.191 10.311 0.319 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.849 8.062 -1.229 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -0.549 8.375 0.469 1.00 0.32 H new ATOM 0 HG LEU A2114 -2.062 6.626 0.488 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -4.181 7.525 1.358 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -2.768 8.391 2.006 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -3.752 9.130 0.721 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -4.107 6.505 -0.867 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -3.676 8.049 -1.640 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -2.641 6.620 -1.869 1.00 0.91 H new ATOM 1025 N PRO A2115 0.261 11.074 0.486 1.00 0.29 N ATOM 1026 CA PRO A2115 1.580 11.712 0.537 1.00 0.31 C ATOM 1027 C PRO A2115 2.700 10.696 0.339 1.00 0.28 C ATOM 1028 O PRO A2115 2.548 9.520 0.670 1.00 0.25 O ATOM 1029 CB PRO A2115 1.628 12.245 1.967 1.00 0.33 C ATOM 1030 CG PRO A2115 0.846 11.238 2.730 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.314 10.910 1.840 1.00 0.30 C ATOM 0 HA PRO A2115 1.714 12.467 -0.238 1.00 0.31 H new ATOM 0 HB2 PRO A2115 2.651 12.323 2.334 1.00 0.33 H new ATOM 0 HB3 PRO A2115 1.186 13.239 2.042 1.00 0.33 H new ATOM 0 HG2 PRO A2115 1.443 10.352 2.946 1.00 0.29 H new ATOM 0 HG3 PRO A2115 0.511 11.638 3.687 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -0.678 9.896 2.006 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.156 11.582 2.007 1.00 0.30 H new ATOM 1039 N PRO A2116 3.848 11.131 -0.195 1.00 0.33 N ATOM 1040 CA PRO A2116 5.032 10.279 -0.298 1.00 0.36 C ATOM 1041 C PRO A2116 5.606 9.953 1.081 1.00 0.34 C ATOM 1042 O PRO A2116 6.523 9.142 1.212 1.00 0.43 O ATOM 1043 CB PRO A2116 6.017 11.124 -1.110 1.00 0.44 C ATOM 1044 CG PRO A2116 5.572 12.531 -0.912 1.00 0.46 C ATOM 1045 CD PRO A2116 4.081 12.474 -0.754 1.00 0.43 C ATOM 0 HA PRO A2116 4.813 9.316 -0.760 1.00 0.36 H new ATOM 0 HB2 PRO A2116 7.040 10.981 -0.762 1.00 0.44 H new ATOM 0 HB3 PRO A2116 5.998 10.849 -2.164 1.00 0.44 H new ATOM 0 HG2 PRO A2116 6.041 12.968 -0.031 1.00 0.46 H new ATOM 0 HG3 PRO A2116 5.851 13.152 -1.763 1.00 0.46 H new ATOM 0 HD2 PRO A2116 3.717 13.256 -0.087 1.00 0.43 H new ATOM 0 HD3 PRO A2116 3.570 12.606 -1.708 1.00 0.43 H new ATOM 1053 N THR A2117 5.049 10.593 2.105 1.00 0.27 N ATOM 1054 CA THR A2117 5.460 10.370 3.480 1.00 0.24 C ATOM 1055 C THR A2117 4.635 9.271 4.146 1.00 0.17 C ATOM 1056 O THR A2117 4.791 9.025 5.341 1.00 0.15 O ATOM 1057 CB THR A2117 5.347 11.665 4.295 1.00 0.27 C ATOM 1058 OG1 THR A2117 4.144 12.356 3.938 1.00 0.32 O ATOM 1059 CG2 THR A2117 6.546 12.563 4.048 1.00 0.36 C ATOM 0 H THR A2117 4.301 11.279 2.001 1.00 0.27 H new ATOM 0 HA THR A2117 6.501 10.047 3.456 1.00 0.24 H new ATOM 0 HB THR A2117 5.320 11.407 5.354 1.00 0.27 H new ATOM 0 HG1 THR A2117 4.358 13.090 3.325 1.00 0.32 H new ATOM 0 HG21 THR A2117 6.445 13.475 4.636 1.00 0.36 H new ATOM 0 HG22 THR A2117 7.457 12.042 4.341 1.00 0.36 H new ATOM 0 HG23 THR A2117 6.598 12.818 2.989 1.00 0.36 H new ATOM 1067 N LEU A2118 3.750 8.634 3.372 1.00 0.16 N ATOM 1068 CA LEU A2118 3.029 7.436 3.818 1.00 0.16 C ATOM 1069 C LEU A2118 3.925 6.523 4.618 1.00 0.16 C ATOM 1070 O LEU A2118 3.680 6.231 5.785 1.00 0.19 O ATOM 1071 CB LEU A2118 2.570 6.617 2.623 1.00 0.23 C ATOM 1072 CG LEU A2118 1.344 7.097 1.884 1.00 0.33 C ATOM 1073 CD1 LEU A2118 1.044 6.116 0.770 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.174 7.220 2.840 1.00 0.77 C ATOM 0 H LEU A2118 3.514 8.931 2.425 1.00 0.16 H new ATOM 0 HA LEU A2118 2.190 7.787 4.418 1.00 0.16 H new ATOM 0 HB2 LEU A2118 3.394 6.567 1.912 1.00 0.23 H new ATOM 0 HB3 LEU A2118 2.381 5.599 2.964 1.00 0.23 H new ATOM 0 HG LEU A2118 1.520 8.084 1.455 1.00 0.33 H new ATOM 0 HD11 LEU A2118 0.160 6.445 0.223 1.00 0.79 H new ATOM 0 HD12 LEU A2118 1.894 6.067 0.090 1.00 0.79 H new ATOM 0 HD13 LEU A2118 0.861 5.129 1.194 1.00 0.79 H new ATOM 0 HD21 LEU A2118 -0.705 7.567 2.297 1.00 0.77 H new ATOM 0 HD22 LEU A2118 -0.035 6.248 3.286 1.00 0.77 H new ATOM 0 HD23 LEU A2118 0.420 7.934 3.626 1.00 0.77 H new ATOM 1086 N ILE A2119 4.958 6.077 3.936 1.00 0.15 N ATOM 1087 CA ILE A2119 5.910 5.114 4.455 1.00 0.18 C ATOM 1088 C ILE A2119 6.544 5.587 5.762 1.00 0.20 C ATOM 1089 O ILE A2119 7.001 4.783 6.567 1.00 0.28 O ATOM 1090 CB ILE A2119 7.035 4.872 3.434 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.493 4.800 1.996 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.802 3.611 3.779 1.00 0.24 C ATOM 1093 CD1 ILE A2119 5.434 3.746 1.743 1.00 0.20 C ATOM 0 H ILE A2119 5.165 6.379 2.984 1.00 0.15 H new ATOM 0 HA ILE A2119 5.358 4.193 4.642 1.00 0.18 H new ATOM 0 HB ILE A2119 7.715 5.722 3.485 1.00 0.19 H new ATOM 0 HG12 ILE A2119 6.079 5.774 1.734 1.00 0.19 H new ATOM 0 HG13 ILE A2119 7.329 4.617 1.321 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.594 3.455 3.047 1.00 0.24 H new ATOM 0 HG22 ILE A2119 8.241 3.712 4.772 1.00 0.24 H new ATOM 0 HG23 ILE A2119 7.124 2.758 3.767 1.00 0.24 H new ATOM 0 HD11 ILE A2119 5.124 3.785 0.699 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.842 2.760 1.964 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.573 3.934 2.384 1.00 0.20 H new ATOM 1105 N PHE A2120 6.586 6.895 5.957 1.00 0.17 N ATOM 1106 CA PHE A2120 7.210 7.473 7.123 1.00 0.19 C ATOM 1107 C PHE A2120 6.212 7.643 8.270 1.00 0.20 C ATOM 1108 O PHE A2120 6.563 7.488 9.442 1.00 0.26 O ATOM 1109 CB PHE A2120 7.822 8.811 6.730 1.00 0.19 C ATOM 1110 CG PHE A2120 9.010 8.646 5.834 1.00 0.24 C ATOM 1111 CD1 PHE A2120 10.003 7.742 6.163 1.00 0.31 C ATOM 1112 CD2 PHE A2120 9.134 9.378 4.665 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.094 7.562 5.347 1.00 0.37 C ATOM 1114 CE2 PHE A2120 10.231 9.205 3.841 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.213 8.296 4.183 1.00 0.38 C ATOM 0 H PHE A2120 6.189 7.578 5.312 1.00 0.17 H new ATOM 0 HA PHE A2120 7.989 6.801 7.484 1.00 0.19 H new ATOM 0 HB2 PHE A2120 7.070 9.419 6.226 1.00 0.19 H new ATOM 0 HB3 PHE A2120 8.119 9.351 7.629 1.00 0.19 H new ATOM 0 HD1 PHE A2120 9.920 7.169 7.075 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.368 10.090 4.395 1.00 0.27 H new ATOM 0 HE1 PHE A2120 11.858 6.847 5.616 1.00 0.37 H new ATOM 0 HE2 PHE A2120 10.320 9.780 2.931 1.00 0.34 H new ATOM 0 HZ PHE A2120 12.071 8.160 3.542 1.00 0.38 H new ATOM 1125 N ASP A2121 4.969 7.946 7.919 1.00 0.17 N ATOM 1126 CA ASP A2121 3.914 8.179 8.906 1.00 0.22 C ATOM 1127 C ASP A2121 3.264 6.867 9.320 1.00 0.20 C ATOM 1128 O ASP A2121 2.829 6.694 10.458 1.00 0.29 O ATOM 1129 CB ASP A2121 2.856 9.109 8.320 1.00 0.29 C ATOM 1130 CG ASP A2121 1.908 9.648 9.367 1.00 0.74 C ATOM 1131 OD1 ASP A2121 0.682 9.461 9.223 1.00 1.34 O ATOM 1132 OD2 ASP A2121 2.382 10.241 10.357 1.00 0.88 O ATOM 0 H ASP A2121 4.662 8.038 6.951 1.00 0.17 H new ATOM 0 HA ASP A2121 4.361 8.640 9.786 1.00 0.22 H new ATOM 0 HB2 ASP A2121 3.348 9.942 7.818 1.00 0.29 H new ATOM 0 HB3 ASP A2121 2.286 8.572 7.562 1.00 0.29 H new ATOM 1137 N HIS A2122 3.206 5.948 8.377 1.00 0.14 N ATOM 1138 CA HIS A2122 2.624 4.631 8.590 1.00 0.14 C ATOM 1139 C HIS A2122 3.587 3.592 8.048 1.00 0.14 C ATOM 1140 O HIS A2122 3.372 3.038 6.970 1.00 0.14 O ATOM 1141 CB HIS A2122 1.288 4.482 7.857 1.00 0.16 C ATOM 1142 CG HIS A2122 0.314 5.593 8.089 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.695 5.531 9.022 1.00 0.34 N ATOM 1144 CD2 HIS A2122 0.184 6.793 7.476 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.404 6.641 8.973 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -0.893 7.425 8.042 1.00 0.40 N ATOM 0 H HIS A2122 3.563 6.092 7.433 1.00 0.14 H new ATOM 0 HA HIS A2122 2.448 4.498 9.657 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.484 4.408 6.787 1.00 0.16 H new ATOM 0 HB3 HIS A2122 0.826 3.543 8.162 1.00 0.16 H new ATOM 0 HD2 HIS A2122 0.812 7.181 6.687 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -2.260 6.871 9.591 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -1.242 8.349 7.786 1.00 0.40 H new ATOM 1155 N PRO A2123 4.670 3.317 8.771 1.00 0.16 N ATOM 1156 CA PRO A2123 5.719 2.480 8.259 1.00 0.17 C ATOM 1157 C PRO A2123 5.527 1.017 8.612 1.00 0.15 C ATOM 1158 O PRO A2123 5.710 0.615 9.758 1.00 0.19 O ATOM 1159 CB PRO A2123 6.945 3.041 8.986 1.00 0.20 C ATOM 1160 CG PRO A2123 6.428 3.748 10.205 1.00 0.25 C ATOM 1161 CD PRO A2123 4.925 3.750 10.123 1.00 0.20 C ATOM 0 HA PRO A2123 5.777 2.496 7.171 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.632 2.241 9.263 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.497 3.727 8.344 1.00 0.20 H new ATOM 0 HG2 PRO A2123 6.762 3.243 11.112 1.00 0.25 H new ATOM 0 HG3 PRO A2123 6.811 4.768 10.248 1.00 0.25 H new ATOM 0 HD2 PRO A2123 4.481 3.074 10.853 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.512 4.741 10.314 1.00 0.20 H new ATOM 1169 N THR A2124 5.075 0.284 7.605 1.00 0.12 N ATOM 1170 CA THR A2124 5.169 -1.161 7.435 1.00 0.10 C ATOM 1171 C THR A2124 4.214 -1.490 6.302 1.00 0.10 C ATOM 1172 O THR A2124 3.319 -0.681 6.042 1.00 0.11 O ATOM 1173 CB THR A2124 4.827 -2.013 8.680 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.702 -1.477 9.382 1.00 0.13 O ATOM 1175 CG2 THR A2124 6.025 -2.119 9.598 1.00 0.11 C ATOM 0 H THR A2124 4.592 0.720 6.819 1.00 0.12 H new ATOM 0 HA THR A2124 6.210 -1.415 7.236 1.00 0.10 H new ATOM 0 HB THR A2124 4.562 -3.013 8.338 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.507 -2.036 10.163 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.765 -2.722 10.468 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.851 -2.589 9.065 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.323 -1.122 9.924 1.00 0.11 H new ATOM 1183 N PRO A2125 4.336 -2.615 5.594 1.00 0.11 N ATOM 1184 CA PRO A2125 3.286 -3.007 4.662 1.00 0.12 C ATOM 1185 C PRO A2125 1.945 -3.091 5.387 1.00 0.13 C ATOM 1186 O PRO A2125 0.915 -2.670 4.862 1.00 0.14 O ATOM 1187 CB PRO A2125 3.729 -4.375 4.152 1.00 0.12 C ATOM 1188 CG PRO A2125 5.203 -4.406 4.377 1.00 0.12 C ATOM 1189 CD PRO A2125 5.469 -3.552 5.590 1.00 0.11 C ATOM 0 HA PRO A2125 3.148 -2.295 3.848 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.229 -5.179 4.692 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.487 -4.501 3.097 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.549 -5.427 4.538 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.736 -4.022 3.508 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.503 -4.147 6.502 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.423 -3.030 5.514 1.00 0.11 H new ATOM 1197 N HIS A2126 1.987 -3.582 6.631 1.00 0.13 N ATOM 1198 CA HIS A2126 0.795 -3.698 7.465 1.00 0.15 C ATOM 1199 C HIS A2126 0.239 -2.332 7.863 1.00 0.14 C ATOM 1200 O HIS A2126 -0.974 -2.143 7.849 1.00 0.16 O ATOM 1201 CB HIS A2126 1.117 -4.551 8.701 1.00 0.18 C ATOM 1202 CG HIS A2126 0.104 -4.461 9.802 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -1.158 -5.004 9.712 1.00 0.35 N ATOM 1204 CD2 HIS A2126 0.170 -3.867 11.017 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -1.827 -4.744 10.818 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -1.043 -4.057 11.626 1.00 0.40 N ATOM 0 H HIS A2126 2.843 -3.906 7.081 1.00 0.13 H new ATOM 0 HA HIS A2126 0.015 -4.190 6.884 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.209 -5.593 8.394 1.00 0.18 H new ATOM 0 HB3 HIS A2126 2.088 -4.248 9.093 1.00 0.18 H new ATOM 0 HD2 HIS A2126 1.019 -3.342 11.429 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -2.844 -5.043 11.027 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -1.298 -3.721 12.555 1.00 0.40 H new ATOM 1215 N ALA A2127 1.105 -1.392 8.222 1.00 0.13 N ATOM 1216 CA ALA A2127 0.651 -0.043 8.578 1.00 0.12 C ATOM 1217 C ALA A2127 -0.123 0.583 7.427 1.00 0.11 C ATOM 1218 O ALA A2127 -1.148 1.237 7.630 1.00 0.11 O ATOM 1219 CB ALA A2127 1.823 0.854 8.965 1.00 0.13 C ATOM 0 H ALA A2127 2.114 -1.531 8.276 1.00 0.13 H new ATOM 0 HA ALA A2127 -0.008 -0.135 9.441 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.452 1.846 9.223 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.341 0.426 9.823 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.514 0.932 8.126 1.00 0.13 H new ATOM 1225 N LEU A2128 0.363 0.369 6.215 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.307 0.877 5.036 1.00 0.11 C ATOM 1227 C LEU A2128 -1.542 0.057 4.702 1.00 0.13 C ATOM 1228 O LEU A2128 -2.494 0.574 4.120 1.00 0.14 O ATOM 1229 CB LEU A2128 0.653 0.903 3.861 1.00 0.11 C ATOM 1230 CG LEU A2128 1.751 1.949 3.974 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.581 1.946 2.713 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.154 3.328 4.236 1.00 0.12 C ATOM 0 H LEU A2128 1.219 -0.153 6.025 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.636 1.895 5.246 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.113 -0.080 3.760 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.086 1.085 2.948 1.00 0.11 H new ATOM 0 HG LEU A2128 2.396 1.704 4.818 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.368 2.696 2.794 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.030 0.962 2.575 1.00 0.12 H new ATOM 0 HD13 LEU A2128 1.945 2.178 1.858 1.00 0.12 H new ATOM 0 HD21 LEU A2128 1.955 4.063 4.314 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.491 3.600 3.414 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.588 3.309 5.167 1.00 0.12 H new ATOM 1244 N THR A2129 -1.540 -1.210 5.101 1.00 0.15 N ATOM 1245 CA THR A2129 -2.698 -2.061 4.900 1.00 0.17 C ATOM 1246 C THR A2129 -3.886 -1.466 5.635 1.00 0.17 C ATOM 1247 O THR A2129 -5.039 -1.640 5.245 1.00 0.20 O ATOM 1248 CB THR A2129 -2.462 -3.502 5.404 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.268 -4.052 4.830 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.638 -4.392 5.044 1.00 0.18 C ATOM 0 H THR A2129 -0.752 -1.665 5.563 1.00 0.15 H new ATOM 0 HA THR A2129 -2.888 -2.112 3.828 1.00 0.17 H new ATOM 0 HB THR A2129 -2.355 -3.461 6.488 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.620 -3.334 4.672 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.454 -5.403 5.407 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.545 -4.001 5.505 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.761 -4.412 3.961 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.586 -0.756 6.706 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.620 -0.113 7.481 1.00 0.18 C ATOM 1260 C GLN A2130 -5.037 1.206 6.834 1.00 0.17 C ATOM 1261 O GLN A2130 -6.216 1.425 6.561 1.00 0.20 O ATOM 1262 CB GLN A2130 -4.161 0.139 8.921 1.00 0.22 C ATOM 1263 CG GLN A2130 -3.113 -0.842 9.428 1.00 0.28 C ATOM 1264 CD GLN A2130 -2.974 -0.809 10.935 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -3.935 -0.548 11.655 1.00 1.66 O ATOM 1266 NE2 GLN A2130 -1.771 -1.053 11.420 1.00 1.13 N ATOM 0 H GLN A2130 -2.638 -0.613 7.055 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.477 -0.786 7.505 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.758 1.150 8.989 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -5.029 0.097 9.579 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -3.380 -1.850 9.112 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -2.151 -0.610 8.972 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -1.000 -1.266 10.787 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -1.613 -1.029 12.427 1.00 1.13 H new ATOM 1275 N HIS A2131 -4.059 2.072 6.564 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.344 3.420 6.074 1.00 0.18 C ATOM 1277 C HIS A2131 -5.073 3.403 4.734 1.00 0.18 C ATOM 1278 O HIS A2131 -6.090 4.075 4.572 1.00 0.19 O ATOM 1279 CB HIS A2131 -3.051 4.228 5.956 1.00 0.23 C ATOM 1280 CG HIS A2131 -3.269 5.647 5.522 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -4.069 6.531 6.209 1.00 0.32 N ATOM 1282 CD2 HIS A2131 -2.802 6.322 4.450 1.00 0.27 C ATOM 1283 CE1 HIS A2131 -4.089 7.686 5.576 1.00 0.35 C ATOM 1284 NE2 HIS A2131 -3.325 7.590 4.504 1.00 0.31 N ATOM 0 H HIS A2131 -3.067 1.865 6.676 1.00 0.16 H new ATOM 0 HA HIS A2131 -5.003 3.894 6.801 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.541 4.225 6.919 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.389 3.736 5.244 1.00 0.23 H new ATOM 0 HD1 HIS A2131 -4.569 6.324 7.074 1.00 0.32 H new ATOM 0 HD2 HIS A2131 -2.139 5.936 3.690 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -4.638 8.564 5.883 1.00 0.35 H new ATOM 1293 N LEU A2132 -4.556 2.649 3.776 1.00 0.19 N ATOM 1294 CA LEU A2132 -5.168 2.592 2.451 1.00 0.21 C ATOM 1295 C LEU A2132 -6.531 1.916 2.497 1.00 0.21 C ATOM 1296 O LEU A2132 -7.410 2.233 1.698 1.00 0.26 O ATOM 1297 CB LEU A2132 -4.253 1.892 1.441 1.00 0.26 C ATOM 1298 CG LEU A2132 -3.043 2.714 0.978 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -3.457 4.143 0.691 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -1.930 2.688 2.009 1.00 0.64 C ATOM 0 H LEU A2132 -3.722 2.072 3.886 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.312 3.620 2.119 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -3.893 0.963 1.883 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -4.844 1.621 0.566 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.663 2.262 0.062 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -2.589 4.715 0.364 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -4.214 4.152 -0.093 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -3.867 4.592 1.596 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -1.088 3.280 1.650 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -2.294 3.106 2.948 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -1.608 1.659 2.171 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.719 1.011 3.448 1.00 0.20 N ATOM 1313 CA HIS A2133 -8.013 0.384 3.627 1.00 0.21 C ATOM 1314 C HIS A2133 -9.001 1.432 4.108 1.00 0.21 C ATOM 1315 O HIS A2133 -10.113 1.534 3.595 1.00 0.27 O ATOM 1316 CB HIS A2133 -7.933 -0.771 4.633 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.234 -1.496 4.794 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.831 -1.705 6.013 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -10.058 -2.051 3.873 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -10.965 -2.354 5.841 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -11.132 -2.578 4.550 1.00 0.31 N ATOM 0 H HIS A2133 -5.998 0.700 4.099 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.343 -0.031 2.675 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -7.168 -1.476 4.309 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.618 -0.382 5.601 1.00 0.21 H new ATOM 0 HD1 HIS A2133 -9.455 -1.404 6.912 1.00 0.27 H new ATOM 0 HD2 HIS A2133 -9.900 -2.075 2.805 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.645 -2.653 6.625 1.00 0.30 H new ATOM 1330 N THR A2134 -8.553 2.224 5.072 1.00 0.18 N ATOM 1331 CA THR A2134 -9.343 3.304 5.635 1.00 0.22 C ATOM 1332 C THR A2134 -9.757 4.314 4.563 1.00 0.26 C ATOM 1333 O THR A2134 -10.875 4.816 4.580 1.00 0.34 O ATOM 1334 CB THR A2134 -8.549 4.002 6.756 1.00 0.26 C ATOM 1335 OG1 THR A2134 -8.209 3.047 7.773 1.00 0.27 O ATOM 1336 CG2 THR A2134 -9.338 5.137 7.376 1.00 0.36 C ATOM 0 H THR A2134 -7.625 2.133 5.486 1.00 0.18 H new ATOM 0 HA THR A2134 -10.255 2.877 6.052 1.00 0.22 H new ATOM 0 HB THR A2134 -7.644 4.420 6.315 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.508 2.449 7.439 1.00 0.27 H new ATOM 0 HG21 THR A2134 -8.746 5.605 8.162 1.00 0.36 H new ATOM 0 HG22 THR A2134 -9.574 5.876 6.611 1.00 0.36 H new ATOM 0 HG23 THR A2134 -10.263 4.747 7.802 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.866 4.589 3.621 1.00 0.27 N ATOM 1345 CA ARG A2135 -9.155 5.513 2.541 1.00 0.32 C ATOM 1346 C ARG A2135 -10.297 5.010 1.661 1.00 0.40 C ATOM 1347 O ARG A2135 -11.189 5.772 1.292 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.906 5.698 1.693 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.774 6.383 2.420 1.00 0.28 C ATOM 1350 CD ARG A2135 -7.171 7.777 2.855 1.00 0.33 C ATOM 1351 NE ARG A2135 -7.489 8.650 1.725 1.00 0.85 N ATOM 1352 CZ ARG A2135 -7.401 9.980 1.767 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -6.989 10.592 2.871 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -7.720 10.700 0.700 1.00 1.64 N ATOM 0 H ARG A2135 -7.932 4.181 3.586 1.00 0.27 H new ATOM 0 HA ARG A2135 -9.461 6.463 2.979 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -7.565 4.722 1.346 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -8.162 6.280 0.807 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -6.488 5.794 3.292 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.900 6.436 1.771 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -8.036 7.715 3.516 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -6.359 8.218 3.433 1.00 0.33 H new ATOM 0 HE ARG A2135 -7.796 8.216 0.854 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -6.737 10.044 3.694 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -6.924 11.610 2.896 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -8.033 10.237 -0.153 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -7.653 11.717 0.732 1.00 1.64 H new ATOM 1368 N LEU A2136 -10.250 3.726 1.325 1.00 0.41 N ATOM 1369 CA LEU A2136 -11.207 3.129 0.413 1.00 0.51 C ATOM 1370 C LEU A2136 -12.572 2.901 1.056 1.00 0.58 C ATOM 1371 O LEU A2136 -13.603 2.958 0.382 1.00 0.85 O ATOM 1372 CB LEU A2136 -10.649 1.803 -0.086 1.00 0.54 C ATOM 1373 CG LEU A2136 -9.366 1.920 -0.902 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -8.782 0.550 -1.177 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -9.640 2.657 -2.200 1.00 0.75 C ATOM 0 H LEU A2136 -9.548 3.075 1.678 1.00 0.41 H new ATOM 0 HA LEU A2136 -11.358 3.825 -0.413 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -10.461 1.157 0.772 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -11.407 1.311 -0.695 1.00 0.54 H new ATOM 0 HG LEU A2136 -8.636 2.489 -0.326 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -7.867 0.655 -1.760 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -8.556 0.055 -0.233 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -9.502 -0.047 -1.736 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -8.718 2.735 -2.776 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -10.384 2.110 -2.779 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -10.016 3.656 -1.979 1.00 0.75 H new ATOM 1387 N THR A2137 -12.578 2.625 2.349 1.00 0.43 N ATOM 1388 CA THR A2137 -13.798 2.264 3.042 1.00 0.47 C ATOM 1389 C THR A2137 -14.421 3.457 3.756 1.00 0.54 C ATOM 1390 O THR A2137 -15.631 3.687 3.685 1.00 0.68 O ATOM 1391 CB THR A2137 -13.502 1.154 4.057 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.524 1.605 5.003 1.00 0.39 O ATOM 1393 CG2 THR A2137 -12.986 -0.084 3.348 1.00 0.42 C ATOM 0 H THR A2137 -11.747 2.645 2.940 1.00 0.43 H new ATOM 0 HA THR A2137 -14.512 1.912 2.298 1.00 0.47 H new ATOM 0 HB THR A2137 -14.426 0.906 4.580 1.00 0.43 H new ATOM 0 HG1 THR A2137 -11.633 1.562 4.598 1.00 0.39 H new ATOM 0 HG21 THR A2137 -12.780 -0.864 4.081 1.00 0.42 H new ATOM 0 HG22 THR A2137 -13.737 -0.439 2.642 1.00 0.42 H new ATOM 0 HG23 THR A2137 -12.070 0.160 2.811 1.00 0.42 H new ATOM 1401 N GLN A2138 -13.581 4.210 4.431 1.00 0.58 N ATOM 1402 CA GLN A2138 -14.016 5.330 5.233 1.00 0.69 C ATOM 1403 C GLN A2138 -13.870 6.644 4.466 1.00 0.88 C ATOM 1404 O GLN A2138 -12.972 6.805 3.638 1.00 1.05 O ATOM 1405 CB GLN A2138 -13.223 5.349 6.543 1.00 1.02 C ATOM 1406 CG GLN A2138 -12.642 6.700 6.869 1.00 0.66 C ATOM 1407 CD GLN A2138 -12.105 6.816 8.283 1.00 1.28 C ATOM 1408 OE1 GLN A2138 -11.184 7.586 8.542 1.00 1.87 O ATOM 1409 NE2 GLN A2138 -12.667 6.051 9.205 1.00 1.96 N ATOM 0 H GLN A2138 -12.572 4.061 4.438 1.00 0.58 H new ATOM 0 HA GLN A2138 -15.075 5.218 5.466 1.00 0.69 H new ATOM 0 HB2 GLN A2138 -13.875 5.035 7.358 1.00 1.02 H new ATOM 0 HB3 GLN A2138 -12.416 4.619 6.481 1.00 1.02 H new ATOM 0 HG2 GLN A2138 -11.837 6.917 6.167 1.00 0.66 H new ATOM 0 HG3 GLN A2138 -13.409 7.460 6.719 1.00 0.66 H new ATOM 0 HE21 GLN A2138 -13.430 5.424 8.951 1.00 1.96 H new ATOM 0 HE22 GLN A2138 -12.337 6.089 10.169 1.00 1.96 H new ATOM 1418 N SER A2139 -14.778 7.568 4.735 1.00 1.14 N ATOM 1419 CA SER A2139 -14.748 8.881 4.120 1.00 1.51 C ATOM 1420 C SER A2139 -14.000 9.871 5.010 1.00 1.92 C ATOM 1421 O SER A2139 -14.586 10.517 5.882 1.00 2.53 O ATOM 1422 CB SER A2139 -16.178 9.350 3.855 1.00 2.30 C ATOM 1423 OG SER A2139 -17.067 8.837 4.837 1.00 3.10 O ATOM 0 H SER A2139 -15.553 7.428 5.383 1.00 1.14 H new ATOM 0 HA SER A2139 -14.216 8.824 3.170 1.00 1.51 H new ATOM 0 HB2 SER A2139 -16.215 10.439 3.858 1.00 2.30 H new ATOM 0 HB3 SER A2139 -16.495 9.023 2.865 1.00 2.30 H new ATOM 0 HG SER A2139 -17.977 9.150 4.650 1.00 3.10 H new ATOM 1429 N HIS A2140 -12.696 9.968 4.800 1.00 2.46 N ATOM 1430 CA HIS A2140 -11.855 10.836 5.607 1.00 3.43 C ATOM 1431 C HIS A2140 -11.175 11.876 4.726 1.00 3.95 C ATOM 1432 O HIS A2140 -10.114 11.564 4.146 1.00 4.42 O ATOM 1433 CB HIS A2140 -10.817 10.003 6.361 1.00 4.34 C ATOM 1434 CG HIS A2140 -9.935 10.793 7.275 1.00 5.24 C ATOM 1435 ND1 HIS A2140 -8.635 11.123 6.969 1.00 6.03 N ATOM 1436 CD2 HIS A2140 -10.171 11.301 8.501 1.00 5.82 C ATOM 1437 CE1 HIS A2140 -8.109 11.802 7.970 1.00 6.90 C ATOM 1438 NE2 HIS A2140 -9.021 11.924 8.913 1.00 6.81 N ATOM 1439 OXT HIS A2140 -11.716 12.994 4.600 1.00 4.31 O ATOM 0 H HIS A2140 -12.197 9.454 4.074 1.00 2.46 H new ATOM 0 HA HIS A2140 -12.476 11.358 6.335 1.00 3.43 H new ATOM 0 HB2 HIS A2140 -11.335 9.241 6.944 1.00 4.34 H new ATOM 0 HB3 HIS A2140 -10.193 9.480 5.636 1.00 4.34 H new ATOM 0 HD2 HIS A2140 -11.095 11.230 9.056 1.00 5.82 H new ATOM 0 HE1 HIS A2140 -7.102 12.192 8.010 1.00 6.90 H new ATOM 0 HE2 HIS A2140 -8.893 12.404 9.804 1.00 6.81 H new TER 1448 HIS A2140