USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 760 hydrogens (35 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: A2060 GLN : amide:sc= -0.196 K(o=-0.74,f=-2.4!) USER MOD Set 1.2: A2126 HIS : no HD1:sc= -0.0115 X(o=-0.74,f=-0.72) USER MOD Set 1.3: A2130 GLN : amide:sc= -0.537 X(o=-0.74,f=-1) USER MOD Set 2.1: A2055 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A2058 GLN : amide:sc= 0.0303 K(o=0.03,f=-3.8!) USER MOD Set 3.1: A2052 ASN : amide:sc= -0.264 K(o=-0.86,f=-4.3!) USER MOD Set 3.2: A2059 GLN : amide:sc= -0.456 K(o=-0.86,f=-1.4) USER MOD Set 3.3: A2133 HIS : no HE2:sc= -0.135 K(o=-0.86,f=-2.6) USER MOD Single : A2047 SER OG : rot 160:sc= 0 USER MOD Single : A2048 HIS : no HE2:sc= 0.229 K(o=0.23,f=-4.1!) USER MOD Single : A2049 MET CE :methyl 161:sc= -1.43 (180deg=-2.39!) USER MOD Single : A2057 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A2061 GLN :FLIP amide:sc= -0.314 F(o=-0.97,f=-0.31) USER MOD Single : A2062 THR OG1 : rot 84:sc= 0.195 USER MOD Single : A2065 THR OG1 : rot 84:sc= 1.27 USER MOD Single : A2071 THR OG1 : rot 156:sc= -0.762 USER MOD Single : A2073 THR OG1 : rot 81:sc= 1.23 USER MOD Single : A2077 HIS : no HE2:sc= -3.94! C(o=-3.9!,f=-4.1!) USER MOD Single : A2078 HIS : no HD1:sc= -0.0741 X(o=-0.074,f=-0.11) USER MOD Single : A2079 THR OG1 : rot 180:sc= 0 USER MOD Single : A2082 SER OG : rot -31:sc= 0.42 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot -160:sc= -2.3! USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot -150:sc= 0.559 USER MOD Single : A2104 ASN : amide:sc= -1.28! X(o=-1.3!,f=-1.3) USER MOD Single : A2105 THR OG1 : rot 73:sc= 1.12 USER MOD Single : A2107 THR OG1 : rot 86:sc= 1.28 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= 2.48 K(o=2.5,f=-9.6!) USER MOD Single : A2110 THR OG1 : rot -74:sc= 1.01 USER MOD Single : A2117 THR OG1 : rot 180:sc= 0.00261 USER MOD Single : A2122 HIS :FLIP no HD1:sc= -0.873 F(o=-1.6!,f=-0.87) USER MOD Single : A2124 THR OG1 : rot 180:sc= -1.6 USER MOD Single : A2129 THR OG1 : rot 64:sc= 0.495 USER MOD Single : A2131 HIS : no HD1:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A2134 THR OG1 : rot 70:sc= 0.24 USER MOD Single : A2137 THR OG1 : rot -88:sc= 0.258 USER MOD Single : A2138 GLN :FLIP amide:sc= -0.173 F(o=-1.1,f=-0.17) USER MOD Single : A2139 SER OG : rot 180:sc= 0.49 USER MOD Single : A2140 HIS : no HD1:sc= -0.634 X(o=-0.63,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A2046 15.044 -1.845 -13.055 1.00 6.58 N ATOM 2 CA GLY A2046 14.216 -0.939 -12.224 1.00 6.00 C ATOM 3 C GLY A2046 14.332 -1.273 -10.756 1.00 4.95 C ATOM 4 O GLY A2046 14.994 -2.244 -10.389 1.00 5.03 O ATOM 0 HA2 GLY A2046 14.526 0.093 -12.389 1.00 6.00 H new ATOM 0 HA3 GLY A2046 13.173 -1.011 -12.533 1.00 6.00 H new ATOM 10 N SER A2047 13.691 -0.483 -9.911 1.00 4.27 N ATOM 11 CA SER A2047 13.732 -0.717 -8.481 1.00 3.35 C ATOM 12 C SER A2047 12.504 -1.485 -8.026 1.00 3.13 C ATOM 13 O SER A2047 11.720 -1.967 -8.847 1.00 3.47 O ATOM 14 CB SER A2047 13.806 0.606 -7.728 1.00 3.02 C ATOM 15 OG SER A2047 14.888 1.395 -8.185 1.00 3.54 O ATOM 0 H SER A2047 13.137 0.326 -10.192 1.00 4.27 H new ATOM 0 HA SER A2047 14.622 -1.308 -8.264 1.00 3.35 H new ATOM 0 HB2 SER A2047 12.873 1.154 -7.858 1.00 3.02 H new ATOM 0 HB3 SER A2047 13.918 0.414 -6.661 1.00 3.02 H new ATOM 0 HG SER A2047 14.737 2.332 -7.939 1.00 3.54 H new ATOM 21 N HIS A2048 12.337 -1.603 -6.719 1.00 3.12 N ATOM 22 CA HIS A2048 11.152 -2.228 -6.175 1.00 3.29 C ATOM 23 C HIS A2048 9.950 -1.299 -6.258 1.00 2.68 C ATOM 24 O HIS A2048 8.877 -1.727 -6.670 1.00 3.15 O ATOM 25 CB HIS A2048 11.375 -2.688 -4.737 1.00 4.29 C ATOM 26 CG HIS A2048 11.821 -4.112 -4.635 1.00 5.00 C ATOM 27 ND1 HIS A2048 10.943 -5.157 -4.459 1.00 5.92 N ATOM 28 CD2 HIS A2048 13.056 -4.664 -4.685 1.00 5.21 C ATOM 29 CE1 HIS A2048 11.619 -6.291 -4.403 1.00 6.67 C ATOM 30 NE2 HIS A2048 12.901 -6.020 -4.538 1.00 6.28 N ATOM 0 H HIS A2048 13.005 -1.275 -6.022 1.00 3.12 H new ATOM 0 HA HIS A2048 10.943 -3.109 -6.782 1.00 3.29 H new ATOM 0 HB2 HIS A2048 12.121 -2.046 -4.269 1.00 4.29 H new ATOM 0 HB3 HIS A2048 10.449 -2.563 -4.175 1.00 4.29 H new ATOM 0 HD1 HIS A2048 9.930 -5.070 -4.384 1.00 5.92 H new ATOM 0 HD2 HIS A2048 13.989 -4.136 -4.816 1.00 5.21 H new ATOM 0 HE1 HIS A2048 11.192 -7.274 -4.269 1.00 6.67 H new ATOM 39 N MET A2049 10.109 -0.023 -5.891 1.00 2.16 N ATOM 40 CA MET A2049 8.963 0.878 -5.962 1.00 2.54 C ATOM 41 C MET A2049 9.062 1.848 -7.116 1.00 3.09 C ATOM 42 O MET A2049 8.508 1.605 -8.187 1.00 3.75 O ATOM 43 CB MET A2049 8.854 1.713 -4.695 1.00 2.76 C ATOM 44 CG MET A2049 8.688 0.915 -3.417 1.00 2.18 C ATOM 45 SD MET A2049 7.195 -0.081 -3.368 1.00 2.91 S ATOM 46 CE MET A2049 7.443 -0.919 -1.804 1.00 2.37 C ATOM 0 H MET A2049 10.979 0.392 -5.557 1.00 2.16 H new ATOM 0 HA MET A2049 8.092 0.236 -6.094 1.00 2.54 H new ATOM 0 HB2 MET A2049 9.747 2.331 -4.607 1.00 2.76 H new ATOM 0 HB3 MET A2049 8.006 2.391 -4.796 1.00 2.76 H new ATOM 0 HG2 MET A2049 9.552 0.262 -3.293 1.00 2.18 H new ATOM 0 HG3 MET A2049 8.683 1.601 -2.570 1.00 2.18 H new ATOM 0 HE1 MET A2049 6.491 -1.311 -1.446 1.00 2.37 H new ATOM 0 HE2 MET A2049 8.146 -1.741 -1.939 1.00 2.37 H new ATOM 0 HE3 MET A2049 7.843 -0.216 -1.074 1.00 2.37 H new ATOM 56 N ARG A2050 9.765 2.953 -6.902 1.00 3.38 N ATOM 57 CA ARG A2050 10.014 3.882 -7.977 1.00 4.33 C ATOM 58 C ARG A2050 11.510 4.106 -8.220 1.00 4.19 C ATOM 59 O ARG A2050 12.035 3.838 -9.299 1.00 4.88 O ATOM 60 CB ARG A2050 9.334 5.233 -7.699 1.00 5.36 C ATOM 61 CG ARG A2050 7.863 5.306 -8.082 1.00 6.15 C ATOM 62 CD ARG A2050 6.998 4.438 -7.192 1.00 6.73 C ATOM 63 NE ARG A2050 5.582 4.546 -7.530 1.00 7.76 N ATOM 64 CZ ARG A2050 4.858 3.550 -8.037 1.00 8.52 C ATOM 65 NH1 ARG A2050 5.423 2.382 -8.323 1.00 8.48 N ATOM 66 NH2 ARG A2050 3.567 3.728 -8.274 1.00 9.54 N ATOM 0 H ARG A2050 10.165 3.219 -6.002 1.00 3.38 H new ATOM 0 HA ARG A2050 9.590 3.436 -8.877 1.00 4.33 H new ATOM 0 HB2 ARG A2050 9.428 5.458 -6.637 1.00 5.36 H new ATOM 0 HB3 ARG A2050 9.873 6.011 -8.239 1.00 5.36 H new ATOM 0 HG2 ARG A2050 7.524 6.340 -8.019 1.00 6.15 H new ATOM 0 HG3 ARG A2050 7.743 4.993 -9.119 1.00 6.15 H new ATOM 0 HD2 ARG A2050 7.314 3.399 -7.282 1.00 6.73 H new ATOM 0 HD3 ARG A2050 7.145 4.727 -6.151 1.00 6.73 H new ATOM 0 HE ARG A2050 5.118 5.440 -7.368 1.00 7.76 H new ATOM 0 HH11 ARG A2050 6.419 2.243 -8.154 1.00 8.48 H new ATOM 0 HH12 ARG A2050 4.860 1.625 -8.711 1.00 8.48 H new ATOM 0 HH21 ARG A2050 3.130 4.626 -8.068 1.00 9.54 H new ATOM 0 HH22 ARG A2050 3.010 2.967 -8.662 1.00 9.54 H new ATOM 80 N LEU A2051 12.175 4.608 -7.180 1.00 3.64 N ATOM 81 CA LEU A2051 13.584 5.008 -7.244 1.00 3.84 C ATOM 82 C LEU A2051 14.410 4.377 -6.125 1.00 3.17 C ATOM 83 O LEU A2051 15.401 4.972 -5.703 1.00 3.42 O ATOM 84 CB LEU A2051 13.733 6.539 -7.182 1.00 4.74 C ATOM 85 CG LEU A2051 13.502 7.308 -8.495 1.00 5.66 C ATOM 86 CD1 LEU A2051 14.301 6.691 -9.631 1.00 6.21 C ATOM 87 CD2 LEU A2051 12.026 7.375 -8.850 1.00 6.31 C ATOM 0 H LEU A2051 11.751 4.750 -6.263 1.00 3.64 H new ATOM 0 HA LEU A2051 13.963 4.647 -8.200 1.00 3.84 H new ATOM 0 HB2 LEU A2051 13.034 6.919 -6.437 1.00 4.74 H new ATOM 0 HB3 LEU A2051 14.737 6.769 -6.824 1.00 4.74 H new ATOM 0 HG LEU A2051 13.852 8.329 -8.343 1.00 5.66 H new ATOM 0 HD11 LEU A2051 14.121 7.252 -10.548 1.00 6.21 H new ATOM 0 HD12 LEU A2051 15.363 6.723 -9.388 1.00 6.21 H new ATOM 0 HD13 LEU A2051 13.992 5.655 -9.772 1.00 6.21 H new ATOM 0 HD21 LEU A2051 11.901 7.925 -9.783 1.00 6.31 H new ATOM 0 HD22 LEU A2051 11.634 6.365 -8.969 1.00 6.31 H new ATOM 0 HD23 LEU A2051 11.483 7.883 -8.053 1.00 6.31 H new ATOM 99 N ASN A2052 13.970 3.219 -5.618 1.00 2.84 N ATOM 100 CA ASN A2052 14.521 2.619 -4.381 1.00 3.03 C ATOM 101 C ASN A2052 16.041 2.788 -4.239 1.00 2.88 C ATOM 102 O ASN A2052 16.786 2.815 -5.222 1.00 2.92 O ATOM 103 CB ASN A2052 14.171 1.135 -4.279 1.00 3.65 C ATOM 104 CG ASN A2052 14.418 0.599 -2.880 1.00 4.17 C ATOM 105 OD1 ASN A2052 14.265 1.323 -1.893 1.00 4.47 O ATOM 106 ND2 ASN A2052 14.808 -0.660 -2.781 1.00 4.71 N ATOM 0 H ASN A2052 13.226 2.668 -6.046 1.00 2.84 H new ATOM 0 HA ASN A2052 14.052 3.169 -3.565 1.00 3.03 H new ATOM 0 HB2 ASN A2052 13.125 0.988 -4.546 1.00 3.65 H new ATOM 0 HB3 ASN A2052 14.766 0.570 -4.996 1.00 3.65 H new ATOM 0 HD21 ASN A2052 14.994 -1.066 -1.864 1.00 4.71 H new ATOM 0 HD22 ASN A2052 14.923 -1.226 -3.622 1.00 4.71 H new ATOM 113 N GLY A2053 16.485 2.835 -2.992 1.00 3.23 N ATOM 114 CA GLY A2053 17.823 3.294 -2.678 1.00 3.43 C ATOM 115 C GLY A2053 17.752 4.616 -1.946 1.00 2.89 C ATOM 116 O GLY A2053 18.702 5.400 -1.926 1.00 2.97 O ATOM 0 H GLY A2053 15.933 2.559 -2.180 1.00 3.23 H new ATOM 0 HA2 GLY A2053 18.336 2.555 -2.063 1.00 3.43 H new ATOM 0 HA3 GLY A2053 18.404 3.406 -3.594 1.00 3.43 H new ATOM 120 N LEU A2054 16.592 4.845 -1.347 1.00 2.44 N ATOM 121 CA LEU A2054 16.294 6.068 -0.623 1.00 2.06 C ATOM 122 C LEU A2054 16.508 5.883 0.872 1.00 1.93 C ATOM 123 O LEU A2054 16.692 4.762 1.349 1.00 2.10 O ATOM 124 CB LEU A2054 14.834 6.438 -0.875 1.00 1.96 C ATOM 125 CG LEU A2054 14.516 6.943 -2.279 1.00 2.68 C ATOM 126 CD1 LEU A2054 13.015 6.981 -2.485 1.00 3.19 C ATOM 127 CD2 LEU A2054 15.123 8.319 -2.506 1.00 3.31 C ATOM 0 H LEU A2054 15.822 4.176 -1.352 1.00 2.44 H new ATOM 0 HA LEU A2054 16.961 6.857 -0.972 1.00 2.06 H new ATOM 0 HB2 LEU A2054 14.216 5.563 -0.674 1.00 1.96 H new ATOM 0 HB3 LEU A2054 14.543 7.205 -0.157 1.00 1.96 H new ATOM 0 HG LEU A2054 14.954 6.258 -3.005 1.00 2.68 H new ATOM 0 HD11 LEU A2054 12.795 7.342 -3.489 1.00 3.19 H new ATOM 0 HD12 LEU A2054 12.605 5.978 -2.362 1.00 3.19 H new ATOM 0 HD13 LEU A2054 12.564 7.650 -1.752 1.00 3.19 H new ATOM 0 HD21 LEU A2054 14.884 8.660 -3.513 1.00 3.31 H new ATOM 0 HD22 LEU A2054 14.715 9.021 -1.779 1.00 3.31 H new ATOM 0 HD23 LEU A2054 16.205 8.263 -2.389 1.00 3.31 H new ATOM 139 N SER A2055 16.484 6.989 1.600 1.00 1.75 N ATOM 140 CA SER A2055 16.494 6.946 3.050 1.00 1.71 C ATOM 141 C SER A2055 15.097 6.571 3.547 1.00 1.44 C ATOM 142 O SER A2055 14.120 6.771 2.827 1.00 1.25 O ATOM 143 CB SER A2055 16.922 8.310 3.600 1.00 1.78 C ATOM 144 OG SER A2055 18.172 8.705 3.053 1.00 2.08 O ATOM 0 H SER A2055 16.457 7.930 1.206 1.00 1.75 H new ATOM 0 HA SER A2055 17.205 6.197 3.400 1.00 1.71 H new ATOM 0 HB2 SER A2055 16.164 9.057 3.363 1.00 1.78 H new ATOM 0 HB3 SER A2055 16.994 8.263 4.687 1.00 1.78 H new ATOM 0 HG SER A2055 18.426 9.579 3.416 1.00 2.08 H new ATOM 150 N PRO A2056 14.987 6.009 4.767 1.00 1.48 N ATOM 151 CA PRO A2056 13.715 5.553 5.348 1.00 1.29 C ATOM 152 C PRO A2056 12.516 6.463 5.044 1.00 1.09 C ATOM 153 O PRO A2056 11.518 6.009 4.476 1.00 0.87 O ATOM 154 CB PRO A2056 14.017 5.547 6.840 1.00 1.53 C ATOM 155 CG PRO A2056 15.463 5.197 6.927 1.00 1.78 C ATOM 156 CD PRO A2056 16.117 5.745 5.681 1.00 1.78 C ATOM 0 HA PRO A2056 13.413 4.591 4.934 1.00 1.29 H new ATOM 0 HB2 PRO A2056 13.816 6.520 7.289 1.00 1.53 H new ATOM 0 HB3 PRO A2056 13.400 4.819 7.367 1.00 1.53 H new ATOM 0 HG2 PRO A2056 15.912 5.628 7.822 1.00 1.78 H new ATOM 0 HG3 PRO A2056 15.597 4.117 6.992 1.00 1.78 H new ATOM 0 HD2 PRO A2056 16.679 6.655 5.893 1.00 1.78 H new ATOM 0 HD3 PRO A2056 16.818 5.030 5.251 1.00 1.78 H new ATOM 164 N GLN A2057 12.618 7.741 5.400 1.00 1.22 N ATOM 165 CA GLN A2057 11.513 8.681 5.196 1.00 1.17 C ATOM 166 C GLN A2057 11.289 8.975 3.712 1.00 1.01 C ATOM 167 O GLN A2057 10.152 9.128 3.266 1.00 0.95 O ATOM 168 CB GLN A2057 11.757 9.975 5.962 1.00 1.44 C ATOM 169 CG GLN A2057 11.831 9.779 7.465 1.00 1.66 C ATOM 170 CD GLN A2057 12.024 11.076 8.222 1.00 2.02 C ATOM 171 OE1 GLN A2057 12.629 12.023 7.719 1.00 2.32 O ATOM 172 NE2 GLN A2057 11.509 11.130 9.439 1.00 2.40 N ATOM 0 H GLN A2057 13.448 8.150 5.829 1.00 1.22 H new ATOM 0 HA GLN A2057 10.609 8.210 5.582 1.00 1.17 H new ATOM 0 HB2 GLN A2057 12.688 10.424 5.615 1.00 1.44 H new ATOM 0 HB3 GLN A2057 10.958 10.680 5.734 1.00 1.44 H new ATOM 0 HG2 GLN A2057 10.916 9.297 7.808 1.00 1.66 H new ATOM 0 HG3 GLN A2057 12.654 9.103 7.698 1.00 1.66 H new ATOM 0 HE21 GLN A2057 11.015 10.323 9.820 1.00 2.40 H new ATOM 0 HE22 GLN A2057 11.606 11.978 9.997 1.00 2.40 H new ATOM 181 N GLN A2058 12.379 9.042 2.953 1.00 1.07 N ATOM 182 CA GLN A2058 12.305 9.239 1.506 1.00 1.08 C ATOM 183 C GLN A2058 11.568 8.076 0.851 1.00 0.89 C ATOM 184 O GLN A2058 10.879 8.236 -0.158 1.00 0.84 O ATOM 185 CB GLN A2058 13.707 9.354 0.917 1.00 1.36 C ATOM 186 CG GLN A2058 14.434 10.630 1.294 1.00 1.58 C ATOM 187 CD GLN A2058 15.906 10.581 0.947 1.00 1.86 C ATOM 188 OE1 GLN A2058 16.313 9.897 0.009 1.00 2.40 O ATOM 189 NE2 GLN A2058 16.715 11.306 1.698 1.00 2.23 N ATOM 0 H GLN A2058 13.329 8.963 3.317 1.00 1.07 H new ATOM 0 HA GLN A2058 11.759 10.162 1.311 1.00 1.08 H new ATOM 0 HB2 GLN A2058 14.299 8.500 1.247 1.00 1.36 H new ATOM 0 HB3 GLN A2058 13.639 9.295 -0.169 1.00 1.36 H new ATOM 0 HG2 GLN A2058 13.971 11.473 0.782 1.00 1.58 H new ATOM 0 HG3 GLN A2058 14.322 10.806 2.364 1.00 1.58 H new ATOM 0 HE21 GLN A2058 16.337 11.860 2.467 1.00 2.23 H new ATOM 0 HE22 GLN A2058 17.717 11.312 1.509 1.00 2.23 H new ATOM 198 N GLN A2059 11.731 6.900 1.430 1.00 0.87 N ATOM 199 CA GLN A2059 11.024 5.722 0.974 1.00 0.75 C ATOM 200 C GLN A2059 9.551 5.806 1.371 1.00 0.58 C ATOM 201 O GLN A2059 8.674 5.690 0.523 1.00 0.54 O ATOM 202 CB GLN A2059 11.666 4.464 1.558 1.00 0.80 C ATOM 203 CG GLN A2059 13.107 4.250 1.126 1.00 1.17 C ATOM 204 CD GLN A2059 13.741 3.043 1.789 1.00 1.86 C ATOM 205 OE1 GLN A2059 14.246 3.128 2.907 1.00 2.83 O ATOM 206 NE2 GLN A2059 13.749 1.917 1.094 1.00 1.87 N ATOM 0 H GLN A2059 12.352 6.737 2.223 1.00 0.87 H new ATOM 0 HA GLN A2059 11.087 5.670 -0.113 1.00 0.75 H new ATOM 0 HB2 GLN A2059 11.628 4.520 2.646 1.00 0.80 H new ATOM 0 HB3 GLN A2059 11.076 3.596 1.263 1.00 0.80 H new ATOM 0 HG2 GLN A2059 13.143 4.126 0.044 1.00 1.17 H new ATOM 0 HG3 GLN A2059 13.690 5.139 1.365 1.00 1.17 H new ATOM 0 HE21 GLN A2059 13.320 1.885 0.169 1.00 1.87 H new ATOM 0 HE22 GLN A2059 14.184 1.081 1.483 1.00 1.87 H new ATOM 215 N GLN A2060 9.285 6.034 2.658 1.00 0.54 N ATOM 216 CA GLN A2060 7.914 6.084 3.162 1.00 0.45 C ATOM 217 C GLN A2060 7.046 7.099 2.430 1.00 0.44 C ATOM 218 O GLN A2060 5.892 6.809 2.137 1.00 0.42 O ATOM 219 CB GLN A2060 7.881 6.364 4.658 1.00 0.55 C ATOM 220 CG GLN A2060 8.205 5.142 5.491 1.00 0.57 C ATOM 221 CD GLN A2060 7.435 5.115 6.799 1.00 0.81 C ATOM 222 OE1 GLN A2060 6.329 5.649 6.893 1.00 1.38 O ATOM 223 NE2 GLN A2060 8.007 4.485 7.811 1.00 1.01 N ATOM 0 H GLN A2060 10.001 6.187 3.369 1.00 0.54 H new ATOM 0 HA GLN A2060 7.495 5.096 2.972 1.00 0.45 H new ATOM 0 HB2 GLN A2060 8.593 7.156 4.891 1.00 0.55 H new ATOM 0 HB3 GLN A2060 6.893 6.733 4.932 1.00 0.55 H new ATOM 0 HG2 GLN A2060 7.975 4.243 4.918 1.00 0.57 H new ATOM 0 HG3 GLN A2060 9.274 5.121 5.701 1.00 0.57 H new ATOM 0 HE21 GLN A2060 8.925 4.056 7.692 1.00 1.01 H new ATOM 0 HE22 GLN A2060 7.531 4.428 8.711 1.00 1.01 H new ATOM 232 N GLN A2061 7.581 8.278 2.130 1.00 0.58 N ATOM 233 CA GLN A2061 6.802 9.282 1.404 1.00 0.61 C ATOM 234 C GLN A2061 6.345 8.730 0.055 1.00 0.51 C ATOM 235 O GLN A2061 5.225 8.978 -0.389 1.00 0.45 O ATOM 236 CB GLN A2061 7.599 10.575 1.209 1.00 0.83 C ATOM 237 CG GLN A2061 8.939 10.381 0.536 1.00 0.89 C ATOM 238 CD GLN A2061 9.647 11.686 0.244 1.00 1.29 C ATOM 239 OE1 GLN A2061 10.439 12.156 1.195 1.00 1.75 O flip ATOM 240 NE2 GLN A2061 9.479 12.270 -0.826 1.00 1.97 N flip ATOM 0 H GLN A2061 8.531 8.561 2.371 1.00 0.58 H new ATOM 0 HA GLN A2061 5.923 9.519 2.004 1.00 0.61 H new ATOM 0 HB2 GLN A2061 7.004 11.269 0.616 1.00 0.83 H new ATOM 0 HB3 GLN A2061 7.757 11.041 2.181 1.00 0.83 H new ATOM 0 HG2 GLN A2061 9.573 9.764 1.172 1.00 0.89 H new ATOM 0 HG3 GLN A2061 8.796 9.835 -0.396 1.00 0.89 H new ATOM 0 HE21 GLN A2061 8.859 11.873 -1.532 1.00 1.97 H new ATOM 0 HE22 GLN A2061 9.959 13.151 -1.007 1.00 1.97 H new ATOM 249 N THR A2062 7.223 7.968 -0.577 1.00 0.53 N ATOM 250 CA THR A2062 6.901 7.263 -1.808 1.00 0.50 C ATOM 251 C THR A2062 5.759 6.275 -1.583 1.00 0.39 C ATOM 252 O THR A2062 4.714 6.352 -2.225 1.00 0.42 O ATOM 253 CB THR A2062 8.132 6.497 -2.333 1.00 0.59 C ATOM 254 OG1 THR A2062 9.179 7.420 -2.666 1.00 0.74 O ATOM 255 CG2 THR A2062 7.777 5.648 -3.545 1.00 0.83 C ATOM 0 H THR A2062 8.178 7.821 -0.252 1.00 0.53 H new ATOM 0 HA THR A2062 6.595 8.006 -2.544 1.00 0.50 H new ATOM 0 HB THR A2062 8.478 5.829 -1.544 1.00 0.59 H new ATOM 0 HG1 THR A2062 9.683 7.649 -1.857 1.00 0.74 H new ATOM 0 HG21 THR A2062 8.665 5.120 -3.892 1.00 0.83 H new ATOM 0 HG22 THR A2062 7.009 4.925 -3.270 1.00 0.83 H new ATOM 0 HG23 THR A2062 7.402 6.290 -4.342 1.00 0.83 H new ATOM 263 N LEU A2063 5.979 5.354 -0.659 1.00 0.37 N ATOM 264 CA LEU A2063 5.026 4.310 -0.334 1.00 0.29 C ATOM 265 C LEU A2063 3.681 4.880 0.099 1.00 0.22 C ATOM 266 O LEU A2063 2.636 4.360 -0.282 1.00 0.21 O ATOM 267 CB LEU A2063 5.617 3.432 0.765 1.00 0.30 C ATOM 268 CG LEU A2063 6.697 2.447 0.308 1.00 0.53 C ATOM 269 CD1 LEU A2063 7.774 3.127 -0.518 1.00 0.92 C ATOM 270 CD2 LEU A2063 7.320 1.763 1.511 1.00 0.79 C ATOM 0 H LEU A2063 6.836 5.312 -0.108 1.00 0.37 H new ATOM 0 HA LEU A2063 4.841 3.716 -1.229 1.00 0.29 H new ATOM 0 HB2 LEU A2063 6.040 4.078 1.535 1.00 0.30 H new ATOM 0 HB3 LEU A2063 4.809 2.868 1.231 1.00 0.30 H new ATOM 0 HG LEU A2063 6.215 1.703 -0.327 1.00 0.53 H new ATOM 0 HD11 LEU A2063 8.519 2.391 -0.821 1.00 0.92 H new ATOM 0 HD12 LEU A2063 7.325 3.574 -1.405 1.00 0.92 H new ATOM 0 HD13 LEU A2063 8.253 3.904 0.077 1.00 0.92 H new ATOM 0 HD21 LEU A2063 8.087 1.065 1.176 1.00 0.79 H new ATOM 0 HD22 LEU A2063 7.771 2.512 2.162 1.00 0.79 H new ATOM 0 HD23 LEU A2063 6.550 1.221 2.060 1.00 0.79 H new ATOM 282 N ALA A2064 3.717 5.952 0.881 1.00 0.25 N ATOM 283 CA ALA A2064 2.505 6.621 1.333 1.00 0.27 C ATOM 284 C ALA A2064 1.735 7.197 0.155 1.00 0.25 C ATOM 285 O ALA A2064 0.514 7.337 0.206 1.00 0.30 O ATOM 286 CB ALA A2064 2.843 7.718 2.329 1.00 0.37 C ATOM 0 H ALA A2064 4.580 6.379 1.217 1.00 0.25 H new ATOM 0 HA ALA A2064 1.874 5.883 1.828 1.00 0.27 H new ATOM 0 HB1 ALA A2064 1.926 8.207 2.656 1.00 0.37 H new ATOM 0 HB2 ALA A2064 3.350 7.284 3.191 1.00 0.37 H new ATOM 0 HB3 ALA A2064 3.496 8.451 1.855 1.00 0.37 H new ATOM 292 N THR A2065 2.456 7.521 -0.908 1.00 0.24 N ATOM 293 CA THR A2065 1.837 8.032 -2.115 1.00 0.27 C ATOM 294 C THR A2065 1.345 6.870 -2.969 1.00 0.24 C ATOM 295 O THR A2065 0.284 6.940 -3.584 1.00 0.29 O ATOM 296 CB THR A2065 2.820 8.895 -2.925 1.00 0.35 C ATOM 297 OG1 THR A2065 3.392 9.902 -2.080 1.00 0.40 O ATOM 298 CG2 THR A2065 2.119 9.558 -4.100 1.00 0.42 C ATOM 0 H THR A2065 3.471 7.438 -0.956 1.00 0.24 H new ATOM 0 HA THR A2065 0.994 8.660 -1.827 1.00 0.27 H new ATOM 0 HB THR A2065 3.607 8.247 -3.310 1.00 0.35 H new ATOM 0 HG1 THR A2065 4.151 9.524 -1.588 1.00 0.40 H new ATOM 0 HG21 THR A2065 2.835 10.162 -4.657 1.00 0.42 H new ATOM 0 HG22 THR A2065 1.704 8.792 -4.755 1.00 0.42 H new ATOM 0 HG23 THR A2065 1.315 10.195 -3.732 1.00 0.42 H new ATOM 306 N LEU A2066 2.125 5.794 -2.971 1.00 0.21 N ATOM 307 CA LEU A2066 1.767 4.577 -3.682 1.00 0.21 C ATOM 308 C LEU A2066 0.439 4.032 -3.191 1.00 0.18 C ATOM 309 O LEU A2066 -0.521 3.949 -3.948 1.00 0.20 O ATOM 310 CB LEU A2066 2.850 3.513 -3.494 1.00 0.24 C ATOM 311 CG LEU A2066 2.462 2.106 -3.962 1.00 0.30 C ATOM 312 CD1 LEU A2066 1.983 2.130 -5.406 1.00 0.37 C ATOM 313 CD2 LEU A2066 3.632 1.147 -3.805 1.00 0.36 C ATOM 0 H LEU A2066 3.018 5.743 -2.482 1.00 0.21 H new ATOM 0 HA LEU A2066 1.678 4.823 -4.740 1.00 0.21 H new ATOM 0 HB2 LEU A2066 3.744 3.826 -4.034 1.00 0.24 H new ATOM 0 HB3 LEU A2066 3.115 3.468 -2.438 1.00 0.24 H new ATOM 0 HG LEU A2066 1.642 1.755 -3.336 1.00 0.30 H new ATOM 0 HD11 LEU A2066 1.713 1.121 -5.717 1.00 0.37 H new ATOM 0 HD12 LEU A2066 1.112 2.780 -5.490 1.00 0.37 H new ATOM 0 HD13 LEU A2066 2.780 2.506 -6.047 1.00 0.37 H new ATOM 0 HD21 LEU A2066 3.336 0.154 -4.143 1.00 0.36 H new ATOM 0 HD22 LEU A2066 4.473 1.498 -4.403 1.00 0.36 H new ATOM 0 HD23 LEU A2066 3.927 1.101 -2.757 1.00 0.36 H new ATOM 325 N VAL A2067 0.404 3.664 -1.923 1.00 0.17 N ATOM 326 CA VAL A2067 -0.792 3.090 -1.318 1.00 0.18 C ATOM 327 C VAL A2067 -2.001 4.009 -1.496 1.00 0.19 C ATOM 328 O VAL A2067 -3.115 3.548 -1.762 1.00 0.22 O ATOM 329 CB VAL A2067 -0.564 2.786 0.174 1.00 0.21 C ATOM 330 CG1 VAL A2067 -0.115 4.026 0.932 1.00 0.51 C ATOM 331 CG2 VAL A2067 -1.824 2.219 0.790 1.00 0.64 C ATOM 0 H VAL A2067 1.195 3.752 -1.285 1.00 0.17 H new ATOM 0 HA VAL A2067 -1.001 2.152 -1.833 1.00 0.18 H new ATOM 0 HB VAL A2067 0.232 2.045 0.248 1.00 0.21 H new ATOM 0 HG11 VAL A2067 0.037 3.776 1.982 1.00 0.51 H new ATOM 0 HG12 VAL A2067 0.820 4.393 0.508 1.00 0.51 H new ATOM 0 HG13 VAL A2067 -0.879 4.799 0.850 1.00 0.51 H new ATOM 0 HG21 VAL A2067 -1.650 2.008 1.845 1.00 0.64 H new ATOM 0 HG22 VAL A2067 -2.634 2.942 0.693 1.00 0.64 H new ATOM 0 HG23 VAL A2067 -2.097 1.297 0.276 1.00 0.64 H new ATOM 341 N ALA A2068 -1.770 5.307 -1.363 1.00 0.19 N ATOM 342 CA ALA A2068 -2.795 6.298 -1.620 1.00 0.23 C ATOM 343 C ALA A2068 -3.280 6.202 -3.063 1.00 0.23 C ATOM 344 O ALA A2068 -4.459 5.967 -3.315 1.00 0.29 O ATOM 345 CB ALA A2068 -2.264 7.691 -1.321 1.00 0.27 C ATOM 0 H ALA A2068 -0.872 5.697 -1.076 1.00 0.19 H new ATOM 0 HA ALA A2068 -3.643 6.104 -0.963 1.00 0.23 H new ATOM 0 HB1 ALA A2068 -3.043 8.427 -1.518 1.00 0.27 H new ATOM 0 HB2 ALA A2068 -1.965 7.750 -0.274 1.00 0.27 H new ATOM 0 HB3 ALA A2068 -1.402 7.896 -1.956 1.00 0.27 H new ATOM 351 N ALA A2069 -2.360 6.345 -4.010 1.00 0.20 N ATOM 352 CA ALA A2069 -2.704 6.287 -5.423 1.00 0.22 C ATOM 353 C ALA A2069 -3.334 4.946 -5.779 1.00 0.23 C ATOM 354 O ALA A2069 -4.188 4.864 -6.663 1.00 0.29 O ATOM 355 CB ALA A2069 -1.468 6.540 -6.266 1.00 0.25 C ATOM 0 H ALA A2069 -1.370 6.502 -3.823 1.00 0.20 H new ATOM 0 HA ALA A2069 -3.439 7.064 -5.633 1.00 0.22 H new ATOM 0 HB1 ALA A2069 -1.733 6.495 -7.322 1.00 0.25 H new ATOM 0 HB2 ALA A2069 -1.065 7.526 -6.034 1.00 0.25 H new ATOM 0 HB3 ALA A2069 -0.717 5.781 -6.048 1.00 0.25 H new ATOM 361 N ALA A2070 -2.921 3.905 -5.069 1.00 0.21 N ATOM 362 CA ALA A2070 -3.455 2.573 -5.267 1.00 0.24 C ATOM 363 C ALA A2070 -4.943 2.534 -4.944 1.00 0.26 C ATOM 364 O ALA A2070 -5.754 2.152 -5.783 1.00 0.34 O ATOM 365 CB ALA A2070 -2.700 1.573 -4.416 1.00 0.25 C ATOM 0 H ALA A2070 -2.208 3.964 -4.342 1.00 0.21 H new ATOM 0 HA ALA A2070 -3.328 2.304 -6.316 1.00 0.24 H new ATOM 0 HB1 ALA A2070 -3.112 0.576 -4.575 1.00 0.25 H new ATOM 0 HB2 ALA A2070 -1.647 1.579 -4.696 1.00 0.25 H new ATOM 0 HB3 ALA A2070 -2.798 1.843 -3.364 1.00 0.25 H new ATOM 371 N THR A2071 -5.303 2.980 -3.743 1.00 0.24 N ATOM 372 CA THR A2071 -6.693 2.945 -3.302 1.00 0.28 C ATOM 373 C THR A2071 -7.512 3.973 -4.070 1.00 0.31 C ATOM 374 O THR A2071 -8.728 3.848 -4.225 1.00 0.37 O ATOM 375 CB THR A2071 -6.801 3.196 -1.784 1.00 0.30 C ATOM 376 OG1 THR A2071 -8.087 2.791 -1.304 1.00 0.38 O ATOM 377 CG2 THR A2071 -6.582 4.657 -1.432 1.00 0.29 C ATOM 0 H THR A2071 -4.653 3.369 -3.060 1.00 0.24 H new ATOM 0 HA THR A2071 -7.091 1.951 -3.507 1.00 0.28 H new ATOM 0 HB THR A2071 -6.019 2.606 -1.307 1.00 0.30 H new ATOM 0 HG1 THR A2071 -8.028 2.580 -0.349 1.00 0.38 H new ATOM 0 HG21 THR A2071 -6.667 4.788 -0.353 1.00 0.29 H new ATOM 0 HG22 THR A2071 -5.588 4.965 -1.758 1.00 0.29 H new ATOM 0 HG23 THR A2071 -7.333 5.268 -1.932 1.00 0.29 H new ATOM 385 N ALA A2072 -6.816 4.982 -4.553 1.00 0.31 N ATOM 386 CA ALA A2072 -7.403 5.999 -5.403 1.00 0.40 C ATOM 387 C ALA A2072 -7.707 5.436 -6.784 1.00 0.42 C ATOM 388 O ALA A2072 -8.507 5.993 -7.527 1.00 0.54 O ATOM 389 CB ALA A2072 -6.454 7.179 -5.489 1.00 0.47 C ATOM 0 H ALA A2072 -5.823 5.121 -4.366 1.00 0.31 H new ATOM 0 HA ALA A2072 -8.348 6.333 -4.974 1.00 0.40 H new ATOM 0 HB1 ALA A2072 -6.888 7.949 -6.127 1.00 0.47 H new ATOM 0 HB2 ALA A2072 -6.287 7.585 -4.491 1.00 0.47 H new ATOM 0 HB3 ALA A2072 -5.504 6.852 -5.911 1.00 0.47 H new ATOM 395 N THR A2073 -7.057 4.335 -7.123 1.00 0.36 N ATOM 396 CA THR A2073 -7.311 3.660 -8.385 1.00 0.40 C ATOM 397 C THR A2073 -8.402 2.595 -8.237 1.00 0.29 C ATOM 398 O THR A2073 -9.227 2.406 -9.134 1.00 0.34 O ATOM 399 CB THR A2073 -6.026 3.015 -8.940 1.00 0.49 C ATOM 400 OG1 THR A2073 -4.990 4.002 -9.040 1.00 0.60 O ATOM 401 CG2 THR A2073 -6.272 2.405 -10.311 1.00 0.58 C ATOM 0 H THR A2073 -6.348 3.889 -6.541 1.00 0.36 H new ATOM 0 HA THR A2073 -7.656 4.417 -9.090 1.00 0.40 H new ATOM 0 HB THR A2073 -5.720 2.224 -8.255 1.00 0.49 H new ATOM 0 HG1 THR A2073 -4.573 4.129 -8.162 1.00 0.60 H new ATOM 0 HG21 THR A2073 -5.350 1.956 -10.680 1.00 0.58 H new ATOM 0 HG22 THR A2073 -7.043 1.639 -10.235 1.00 0.58 H new ATOM 0 HG23 THR A2073 -6.599 3.182 -11.002 1.00 0.58 H new ATOM 409 N VAL A2074 -8.409 1.903 -7.102 1.00 0.20 N ATOM 410 CA VAL A2074 -9.395 0.849 -6.872 1.00 0.22 C ATOM 411 C VAL A2074 -10.772 1.468 -6.648 1.00 0.27 C ATOM 412 O VAL A2074 -11.765 1.042 -7.236 1.00 0.41 O ATOM 413 CB VAL A2074 -9.005 -0.089 -5.686 1.00 0.27 C ATOM 414 CG1 VAL A2074 -7.508 -0.243 -5.608 1.00 0.78 C ATOM 415 CG2 VAL A2074 -9.528 0.386 -4.345 1.00 0.72 C ATOM 0 H VAL A2074 -7.753 2.049 -6.335 1.00 0.20 H new ATOM 0 HA VAL A2074 -9.421 0.223 -7.764 1.00 0.22 H new ATOM 0 HB VAL A2074 -9.476 -1.049 -5.895 1.00 0.27 H new ATOM 0 HG11 VAL A2074 -7.253 -0.900 -4.776 1.00 0.78 H new ATOM 0 HG12 VAL A2074 -7.138 -0.674 -6.538 1.00 0.78 H new ATOM 0 HG13 VAL A2074 -7.049 0.734 -5.453 1.00 0.78 H new ATOM 0 HG21 VAL A2074 -9.220 -0.312 -3.566 1.00 0.72 H new ATOM 0 HG22 VAL A2074 -9.124 1.374 -4.126 1.00 0.72 H new ATOM 0 HG23 VAL A2074 -10.616 0.438 -4.377 1.00 0.72 H new ATOM 425 N LEU A2075 -10.812 2.488 -5.804 1.00 0.27 N ATOM 426 CA LEU A2075 -12.039 3.229 -5.539 1.00 0.37 C ATOM 427 C LEU A2075 -12.171 4.424 -6.477 1.00 0.42 C ATOM 428 O LEU A2075 -11.230 4.775 -7.187 1.00 1.24 O ATOM 429 CB LEU A2075 -12.068 3.707 -4.090 1.00 0.44 C ATOM 430 CG LEU A2075 -11.974 2.616 -3.030 1.00 0.51 C ATOM 431 CD1 LEU A2075 -12.157 3.206 -1.643 1.00 0.89 C ATOM 432 CD2 LEU A2075 -13.002 1.532 -3.294 1.00 1.04 C ATOM 0 H LEU A2075 -10.001 2.825 -5.286 1.00 0.27 H new ATOM 0 HA LEU A2075 -12.879 2.557 -5.713 1.00 0.37 H new ATOM 0 HB2 LEU A2075 -11.244 4.404 -3.941 1.00 0.44 H new ATOM 0 HB3 LEU A2075 -12.991 4.265 -3.930 1.00 0.44 H new ATOM 0 HG LEU A2075 -10.982 2.166 -3.081 1.00 0.51 H new ATOM 0 HD11 LEU A2075 -12.087 2.413 -0.898 1.00 0.89 H new ATOM 0 HD12 LEU A2075 -11.380 3.948 -1.458 1.00 0.89 H new ATOM 0 HD13 LEU A2075 -13.136 3.681 -1.576 1.00 0.89 H new ATOM 0 HD21 LEU A2075 -12.922 0.760 -2.528 1.00 1.04 H new ATOM 0 HD22 LEU A2075 -14.002 1.965 -3.269 1.00 1.04 H new ATOM 0 HD23 LEU A2075 -12.822 1.091 -4.274 1.00 1.04 H new ATOM 444 N GLY A2076 -13.336 5.061 -6.450 1.00 1.16 N ATOM 445 CA GLY A2076 -13.597 6.186 -7.326 1.00 1.30 C ATOM 446 C GLY A2076 -13.348 7.521 -6.654 1.00 0.86 C ATOM 447 O GLY A2076 -14.275 8.307 -6.448 1.00 1.11 O ATOM 0 H GLY A2076 -14.109 4.815 -5.832 1.00 1.16 H new ATOM 0 HA2 GLY A2076 -12.966 6.106 -8.211 1.00 1.30 H new ATOM 0 HA3 GLY A2076 -14.631 6.143 -7.667 1.00 1.30 H new ATOM 451 N HIS A2077 -12.093 7.777 -6.314 1.00 0.88 N ATOM 452 CA HIS A2077 -11.696 9.039 -5.692 1.00 0.79 C ATOM 453 C HIS A2077 -10.220 9.296 -5.986 1.00 1.18 C ATOM 454 O HIS A2077 -9.411 9.492 -5.083 1.00 2.09 O ATOM 455 CB HIS A2077 -11.952 9.014 -4.167 1.00 1.03 C ATOM 456 CG HIS A2077 -11.123 8.008 -3.414 1.00 0.93 C ATOM 457 ND1 HIS A2077 -9.968 8.338 -2.739 1.00 1.17 N ATOM 458 CD2 HIS A2077 -11.265 6.676 -3.272 1.00 0.89 C ATOM 459 CE1 HIS A2077 -9.431 7.252 -2.226 1.00 1.04 C ATOM 460 NE2 HIS A2077 -10.198 6.225 -2.532 1.00 0.92 N ATOM 0 H HIS A2077 -11.324 7.123 -6.459 1.00 0.88 H new ATOM 0 HA HIS A2077 -12.297 9.846 -6.110 1.00 0.79 H new ATOM 0 HB2 HIS A2077 -11.754 10.006 -3.761 1.00 1.03 H new ATOM 0 HB3 HIS A2077 -13.007 8.802 -3.991 1.00 1.03 H new ATOM 0 HD1 HIS A2077 -9.587 9.280 -2.651 1.00 1.17 H new ATOM 0 HD2 HIS A2077 -12.069 6.073 -3.667 1.00 0.89 H new ATOM 0 HE1 HIS A2077 -8.517 7.209 -1.652 1.00 1.04 H new ATOM 469 N HIS A2078 -9.867 9.298 -7.258 1.00 1.15 N ATOM 470 CA HIS A2078 -8.463 9.285 -7.636 1.00 1.82 C ATOM 471 C HIS A2078 -7.798 10.656 -7.488 1.00 1.20 C ATOM 472 O HIS A2078 -7.448 11.319 -8.462 1.00 1.46 O ATOM 473 CB HIS A2078 -8.282 8.703 -9.040 1.00 2.98 C ATOM 474 CG HIS A2078 -6.855 8.617 -9.491 1.00 4.08 C ATOM 475 ND1 HIS A2078 -6.339 9.366 -10.524 1.00 5.04 N ATOM 476 CD2 HIS A2078 -5.839 7.851 -9.042 1.00 4.50 C ATOM 477 CE1 HIS A2078 -5.067 9.061 -10.693 1.00 5.96 C ATOM 478 NE2 HIS A2078 -4.737 8.144 -9.806 1.00 5.67 N ATOM 0 H HIS A2078 -10.522 9.308 -8.039 1.00 1.15 H new ATOM 0 HA HIS A2078 -7.947 8.629 -6.935 1.00 1.82 H new ATOM 0 HB2 HIS A2078 -8.720 7.705 -9.067 1.00 2.98 H new ATOM 0 HB3 HIS A2078 -8.839 9.315 -9.749 1.00 2.98 H new ATOM 0 HD2 HIS A2078 -5.884 7.139 -8.231 1.00 4.50 H new ATOM 0 HE1 HIS A2078 -4.408 9.490 -11.433 1.00 5.96 H new ATOM 0 HE2 HIS A2078 -3.814 7.721 -9.704 1.00 5.67 H new ATOM 487 N THR A2079 -7.664 11.070 -6.241 1.00 1.12 N ATOM 488 CA THR A2079 -6.795 12.161 -5.857 1.00 0.78 C ATOM 489 C THR A2079 -6.091 11.766 -4.564 1.00 0.67 C ATOM 490 O THR A2079 -6.633 11.950 -3.474 1.00 0.86 O ATOM 491 CB THR A2079 -7.557 13.482 -5.637 1.00 1.25 C ATOM 492 OG1 THR A2079 -8.426 13.750 -6.748 1.00 1.52 O ATOM 493 CG2 THR A2079 -6.580 14.630 -5.472 1.00 1.42 C ATOM 0 H THR A2079 -8.164 10.650 -5.457 1.00 1.12 H new ATOM 0 HA THR A2079 -6.087 12.335 -6.668 1.00 0.78 H new ATOM 0 HB THR A2079 -8.155 13.385 -4.731 1.00 1.25 H new ATOM 0 HG1 THR A2079 -8.904 14.591 -6.594 1.00 1.52 H new ATOM 0 HG21 THR A2079 -7.131 15.558 -5.317 1.00 1.42 H new ATOM 0 HG22 THR A2079 -5.939 14.441 -4.611 1.00 1.42 H new ATOM 0 HG23 THR A2079 -5.967 14.718 -6.369 1.00 1.42 H new ATOM 501 N PRO A2080 -4.877 11.204 -4.667 1.00 0.48 N ATOM 502 CA PRO A2080 -4.163 10.637 -3.516 1.00 0.48 C ATOM 503 C PRO A2080 -3.841 11.698 -2.472 1.00 0.69 C ATOM 504 O PRO A2080 -3.599 11.392 -1.305 1.00 0.70 O ATOM 505 CB PRO A2080 -2.876 10.068 -4.128 1.00 0.56 C ATOM 506 CG PRO A2080 -3.148 9.974 -5.591 1.00 0.56 C ATOM 507 CD PRO A2080 -4.089 11.100 -5.901 1.00 0.50 C ATOM 0 HA PRO A2080 -4.757 9.887 -2.993 1.00 0.48 H new ATOM 0 HB2 PRO A2080 -2.024 10.717 -3.927 1.00 0.56 H new ATOM 0 HB3 PRO A2080 -2.639 9.091 -3.708 1.00 0.56 H new ATOM 0 HG2 PRO A2080 -2.227 10.063 -6.167 1.00 0.56 H new ATOM 0 HG3 PRO A2080 -3.591 9.011 -5.846 1.00 0.56 H new ATOM 0 HD2 PRO A2080 -3.556 12.025 -6.122 1.00 0.50 H new ATOM 0 HD3 PRO A2080 -4.715 10.879 -6.765 1.00 0.50 H new ATOM 515 N GLU A2081 -3.865 12.947 -2.913 1.00 0.93 N ATOM 516 CA GLU A2081 -3.648 14.092 -2.074 1.00 1.22 C ATOM 517 C GLU A2081 -4.705 14.177 -0.970 1.00 1.21 C ATOM 518 O GLU A2081 -4.416 14.573 0.159 1.00 1.32 O ATOM 519 CB GLU A2081 -3.712 15.319 -2.974 1.00 1.52 C ATOM 520 CG GLU A2081 -3.687 16.613 -2.229 1.00 2.12 C ATOM 521 CD GLU A2081 -3.698 17.818 -3.145 1.00 2.46 C ATOM 522 OE1 GLU A2081 -2.666 18.509 -3.238 1.00 2.53 O ATOM 523 OE2 GLU A2081 -4.740 18.078 -3.780 1.00 2.96 O ATOM 0 H GLU A2081 -4.041 13.187 -3.889 1.00 0.93 H new ATOM 0 HA GLU A2081 -2.680 14.022 -1.577 1.00 1.22 H new ATOM 0 HB2 GLU A2081 -2.872 15.293 -3.668 1.00 1.52 H new ATOM 0 HB3 GLU A2081 -4.622 15.272 -3.573 1.00 1.52 H new ATOM 0 HG2 GLU A2081 -4.549 16.660 -1.564 1.00 2.12 H new ATOM 0 HG3 GLU A2081 -2.797 16.648 -1.601 1.00 2.12 H new ATOM 530 N SER A2082 -5.922 13.770 -1.299 1.00 1.13 N ATOM 531 CA SER A2082 -7.045 13.901 -0.384 1.00 1.23 C ATOM 532 C SER A2082 -7.169 12.662 0.509 1.00 0.99 C ATOM 533 O SER A2082 -8.072 12.567 1.342 1.00 1.06 O ATOM 534 CB SER A2082 -8.330 14.132 -1.185 1.00 1.44 C ATOM 535 OG SER A2082 -9.431 14.422 -0.339 1.00 1.70 O ATOM 0 H SER A2082 -6.157 13.345 -2.196 1.00 1.13 H new ATOM 0 HA SER A2082 -6.876 14.758 0.268 1.00 1.23 H new ATOM 0 HB2 SER A2082 -8.181 14.956 -1.883 1.00 1.44 H new ATOM 0 HB3 SER A2082 -8.552 13.246 -1.780 1.00 1.44 H new ATOM 0 HG SER A2082 -9.317 13.958 0.517 1.00 1.70 H new ATOM 541 N ILE A2083 -6.246 11.725 0.340 1.00 0.76 N ATOM 542 CA ILE A2083 -6.235 10.506 1.132 1.00 0.55 C ATOM 543 C ILE A2083 -5.429 10.711 2.408 1.00 0.43 C ATOM 544 O ILE A2083 -4.219 10.937 2.359 1.00 0.46 O ATOM 545 CB ILE A2083 -5.645 9.332 0.325 1.00 0.45 C ATOM 546 CG1 ILE A2083 -6.411 9.188 -0.993 1.00 0.58 C ATOM 547 CG2 ILE A2083 -5.685 8.035 1.132 1.00 0.42 C ATOM 548 CD1 ILE A2083 -5.994 8.000 -1.824 1.00 0.47 C ATOM 0 H ILE A2083 -5.491 11.788 -0.343 1.00 0.76 H new ATOM 0 HA ILE A2083 -7.265 10.265 1.394 1.00 0.55 H new ATOM 0 HB ILE A2083 -4.598 9.541 0.105 1.00 0.45 H new ATOM 0 HG12 ILE A2083 -7.476 9.109 -0.775 1.00 0.58 H new ATOM 0 HG13 ILE A2083 -6.273 10.095 -1.581 1.00 0.58 H new ATOM 0 HG21 ILE A2083 -5.263 7.224 0.539 1.00 0.42 H new ATOM 0 HG22 ILE A2083 -5.103 8.157 2.046 1.00 0.42 H new ATOM 0 HG23 ILE A2083 -6.718 7.798 1.388 1.00 0.42 H new ATOM 0 HD11 ILE A2083 -6.585 7.971 -2.740 1.00 0.47 H new ATOM 0 HD12 ILE A2083 -4.937 8.086 -2.076 1.00 0.47 H new ATOM 0 HD13 ILE A2083 -6.159 7.084 -1.257 1.00 0.47 H new ATOM 560 N SER A2084 -6.110 10.652 3.543 1.00 0.38 N ATOM 561 CA SER A2084 -5.464 10.839 4.831 1.00 0.32 C ATOM 562 C SER A2084 -4.841 9.528 5.303 1.00 0.29 C ATOM 563 O SER A2084 -5.484 8.479 5.289 1.00 0.31 O ATOM 564 CB SER A2084 -6.477 11.342 5.858 1.00 0.36 C ATOM 565 OG SER A2084 -7.190 12.463 5.360 1.00 0.42 O ATOM 0 H SER A2084 -7.113 10.475 3.597 1.00 0.38 H new ATOM 0 HA SER A2084 -4.674 11.582 4.724 1.00 0.32 H new ATOM 0 HB2 SER A2084 -7.176 10.543 6.107 1.00 0.36 H new ATOM 0 HB3 SER A2084 -5.962 11.614 6.779 1.00 0.36 H new ATOM 0 HG SER A2084 -7.834 12.767 6.034 1.00 0.42 H new ATOM 571 N PRO A2085 -3.574 9.586 5.740 1.00 0.29 N ATOM 572 CA PRO A2085 -2.786 8.400 6.104 1.00 0.28 C ATOM 573 C PRO A2085 -3.354 7.637 7.290 1.00 0.28 C ATOM 574 O PRO A2085 -3.190 6.420 7.391 1.00 0.33 O ATOM 575 CB PRO A2085 -1.424 8.979 6.480 1.00 0.32 C ATOM 576 CG PRO A2085 -1.712 10.390 6.855 1.00 0.36 C ATOM 577 CD PRO A2085 -2.800 10.825 5.924 1.00 0.36 C ATOM 0 HA PRO A2085 -2.767 7.681 5.285 1.00 0.28 H new ATOM 0 HB2 PRO A2085 -0.975 8.432 7.309 1.00 0.32 H new ATOM 0 HB3 PRO A2085 -0.725 8.924 5.645 1.00 0.32 H new ATOM 0 HG2 PRO A2085 -2.029 10.465 7.895 1.00 0.36 H new ATOM 0 HG3 PRO A2085 -0.826 11.016 6.746 1.00 0.36 H new ATOM 0 HD2 PRO A2085 -3.406 11.623 6.353 1.00 0.36 H new ATOM 0 HD3 PRO A2085 -2.402 11.199 4.981 1.00 0.36 H new ATOM 585 N ALA A2086 -4.003 8.362 8.187 1.00 0.30 N ATOM 586 CA ALA A2086 -4.511 7.776 9.421 1.00 0.36 C ATOM 587 C ALA A2086 -5.947 7.273 9.286 1.00 0.30 C ATOM 588 O ALA A2086 -6.516 6.763 10.251 1.00 0.28 O ATOM 589 CB ALA A2086 -4.412 8.784 10.555 1.00 0.47 C ATOM 0 H ALA A2086 -4.192 9.359 8.085 1.00 0.30 H new ATOM 0 HA ALA A2086 -3.890 6.908 9.644 1.00 0.36 H new ATOM 0 HB1 ALA A2086 -4.794 8.337 11.473 1.00 0.47 H new ATOM 0 HB2 ALA A2086 -3.370 9.071 10.697 1.00 0.47 H new ATOM 0 HB3 ALA A2086 -5.001 9.667 10.309 1.00 0.47 H new ATOM 595 N THR A2087 -6.541 7.405 8.110 1.00 0.32 N ATOM 596 CA THR A2087 -7.896 6.915 7.912 1.00 0.28 C ATOM 597 C THR A2087 -7.872 5.454 7.506 1.00 0.24 C ATOM 598 O THR A2087 -6.984 5.009 6.788 1.00 0.28 O ATOM 599 CB THR A2087 -8.651 7.700 6.835 1.00 0.32 C ATOM 600 OG1 THR A2087 -8.354 9.098 6.941 1.00 0.39 O ATOM 601 CG2 THR A2087 -10.155 7.487 6.961 1.00 0.34 C ATOM 0 H THR A2087 -6.115 7.839 7.291 1.00 0.32 H new ATOM 0 HA THR A2087 -8.414 7.045 8.862 1.00 0.28 H new ATOM 0 HB THR A2087 -8.326 7.334 5.861 1.00 0.32 H new ATOM 0 HG1 THR A2087 -9.051 9.616 6.487 1.00 0.39 H new ATOM 0 HG21 THR A2087 -10.669 8.055 6.185 1.00 0.34 H new ATOM 0 HG22 THR A2087 -10.383 6.427 6.847 1.00 0.34 H new ATOM 0 HG23 THR A2087 -10.490 7.827 7.941 1.00 0.34 H new ATOM 609 N ALA A2088 -8.868 4.728 7.951 1.00 0.23 N ATOM 610 CA ALA A2088 -8.969 3.307 7.673 1.00 0.25 C ATOM 611 C ALA A2088 -9.617 3.097 6.323 1.00 0.22 C ATOM 612 O ALA A2088 -10.592 3.765 5.987 1.00 0.25 O ATOM 613 CB ALA A2088 -9.780 2.619 8.756 1.00 0.32 C ATOM 0 H ALA A2088 -9.632 5.099 8.515 1.00 0.23 H new ATOM 0 HA ALA A2088 -7.969 2.874 7.659 1.00 0.25 H new ATOM 0 HB1 ALA A2088 -9.849 1.553 8.537 1.00 0.32 H new ATOM 0 HB2 ALA A2088 -9.293 2.760 9.721 1.00 0.32 H new ATOM 0 HB3 ALA A2088 -10.781 3.048 8.789 1.00 0.32 H new ATOM 619 N PHE A2089 -9.066 2.161 5.553 1.00 0.21 N ATOM 620 CA PHE A2089 -9.567 1.861 4.211 1.00 0.20 C ATOM 621 C PHE A2089 -11.058 1.563 4.217 1.00 0.24 C ATOM 622 O PHE A2089 -11.746 1.813 3.228 1.00 0.26 O ATOM 623 CB PHE A2089 -8.805 0.694 3.588 1.00 0.21 C ATOM 624 CG PHE A2089 -7.501 1.102 2.975 1.00 0.21 C ATOM 625 CD1 PHE A2089 -7.442 2.151 2.071 1.00 0.40 C ATOM 626 CD2 PHE A2089 -6.336 0.440 3.301 1.00 0.44 C ATOM 627 CE1 PHE A2089 -6.241 2.527 1.509 1.00 0.43 C ATOM 628 CE2 PHE A2089 -5.134 0.811 2.740 1.00 0.48 C ATOM 629 CZ PHE A2089 -5.087 1.858 1.844 1.00 0.34 C ATOM 0 H PHE A2089 -8.267 1.593 5.837 1.00 0.21 H new ATOM 0 HA PHE A2089 -9.403 2.753 3.606 1.00 0.20 H new ATOM 0 HB2 PHE A2089 -8.620 -0.060 4.353 1.00 0.21 H new ATOM 0 HB3 PHE A2089 -9.428 0.228 2.825 1.00 0.21 H new ATOM 0 HD1 PHE A2089 -8.346 2.679 1.804 1.00 0.40 H new ATOM 0 HD2 PHE A2089 -6.366 -0.379 4.004 1.00 0.44 H new ATOM 0 HE1 PHE A2089 -6.206 3.346 0.806 1.00 0.43 H new ATOM 0 HE2 PHE A2089 -4.229 0.282 3.002 1.00 0.48 H new ATOM 0 HZ PHE A2089 -4.145 2.152 1.406 1.00 0.34 H new ATOM 639 N LYS A2090 -11.545 1.032 5.330 1.00 0.30 N ATOM 640 CA LYS A2090 -12.961 0.804 5.524 1.00 0.40 C ATOM 641 C LYS A2090 -13.732 2.094 5.278 1.00 0.37 C ATOM 642 O LYS A2090 -14.715 2.117 4.539 1.00 0.47 O ATOM 643 CB LYS A2090 -13.187 0.323 6.955 1.00 0.55 C ATOM 644 CG LYS A2090 -14.466 -0.463 7.147 1.00 1.19 C ATOM 645 CD LYS A2090 -15.711 0.418 7.169 1.00 1.79 C ATOM 646 CE LYS A2090 -15.735 1.341 8.380 1.00 2.14 C ATOM 647 NZ LYS A2090 -16.994 2.130 8.453 1.00 2.91 N ATOM 0 H LYS A2090 -10.966 0.749 6.121 1.00 0.30 H new ATOM 0 HA LYS A2090 -13.316 0.050 4.822 1.00 0.40 H new ATOM 0 HB2 LYS A2090 -12.343 -0.298 7.256 1.00 0.55 H new ATOM 0 HB3 LYS A2090 -13.201 1.187 7.620 1.00 0.55 H new ATOM 0 HG2 LYS A2090 -14.560 -1.195 6.345 1.00 1.19 H new ATOM 0 HG3 LYS A2090 -14.406 -1.021 8.082 1.00 1.19 H new ATOM 0 HD2 LYS A2090 -15.749 1.015 6.258 1.00 1.79 H new ATOM 0 HD3 LYS A2090 -16.601 -0.212 7.175 1.00 1.79 H new ATOM 0 HE2 LYS A2090 -15.624 0.750 9.289 1.00 2.14 H new ATOM 0 HE3 LYS A2090 -14.883 2.020 8.336 1.00 2.14 H new ATOM 0 HZ1 LYS A2090 -16.970 2.745 9.291 1.00 2.91 H new ATOM 0 HZ2 LYS A2090 -17.088 2.714 7.598 1.00 2.91 H new ATOM 0 HZ3 LYS A2090 -17.806 1.483 8.521 1.00 2.91 H new ATOM 661 N ASP A2091 -13.252 3.166 5.890 1.00 0.33 N ATOM 662 CA ASP A2091 -13.902 4.465 5.807 1.00 0.35 C ATOM 663 C ASP A2091 -13.803 5.053 4.400 1.00 0.33 C ATOM 664 O ASP A2091 -14.737 5.701 3.930 1.00 0.39 O ATOM 665 CB ASP A2091 -13.279 5.428 6.815 1.00 0.38 C ATOM 666 CG ASP A2091 -14.052 6.726 6.918 1.00 1.03 C ATOM 667 OD1 ASP A2091 -13.683 7.695 6.220 1.00 1.88 O ATOM 668 OD2 ASP A2091 -15.027 6.787 7.691 1.00 1.04 O ATOM 0 H ASP A2091 -12.404 3.160 6.456 1.00 0.33 H new ATOM 0 HA ASP A2091 -14.957 4.324 6.041 1.00 0.35 H new ATOM 0 HB2 ASP A2091 -13.240 4.951 7.794 1.00 0.38 H new ATOM 0 HB3 ASP A2091 -12.251 5.641 6.523 1.00 0.38 H new ATOM 673 N LEU A2092 -12.679 4.813 3.721 1.00 0.30 N ATOM 674 CA LEU A2092 -12.475 5.359 2.382 1.00 0.32 C ATOM 675 C LEU A2092 -13.411 4.709 1.364 1.00 0.30 C ATOM 676 O LEU A2092 -13.687 5.287 0.313 1.00 0.36 O ATOM 677 CB LEU A2092 -11.021 5.182 1.917 1.00 0.34 C ATOM 678 CG LEU A2092 -9.978 6.143 2.516 1.00 0.35 C ATOM 679 CD1 LEU A2092 -10.549 7.541 2.710 1.00 0.73 C ATOM 680 CD2 LEU A2092 -9.420 5.605 3.819 1.00 0.61 C ATOM 0 H LEU A2092 -11.905 4.250 4.074 1.00 0.30 H new ATOM 0 HA LEU A2092 -12.701 6.424 2.442 1.00 0.32 H new ATOM 0 HB2 LEU A2092 -10.713 4.162 2.145 1.00 0.34 H new ATOM 0 HB3 LEU A2092 -10.996 5.287 0.832 1.00 0.34 H new ATOM 0 HG LEU A2092 -9.159 6.216 1.801 1.00 0.35 H new ATOM 0 HD11 LEU A2092 -9.784 8.191 3.135 1.00 0.73 H new ATOM 0 HD12 LEU A2092 -10.870 7.939 1.748 1.00 0.73 H new ATOM 0 HD13 LEU A2092 -11.402 7.495 3.387 1.00 0.73 H new ATOM 0 HD21 LEU A2092 -8.686 6.306 4.217 1.00 0.61 H new ATOM 0 HD22 LEU A2092 -10.230 5.480 4.538 1.00 0.61 H new ATOM 0 HD23 LEU A2092 -8.942 4.642 3.640 1.00 0.61 H new ATOM 692 N GLY A2093 -13.903 3.516 1.674 1.00 0.26 N ATOM 693 CA GLY A2093 -14.830 2.855 0.775 1.00 0.26 C ATOM 694 C GLY A2093 -14.357 1.480 0.362 1.00 0.22 C ATOM 695 O GLY A2093 -15.031 0.784 -0.401 1.00 0.27 O ATOM 0 H GLY A2093 -13.680 2.998 2.524 1.00 0.26 H new ATOM 0 HA2 GLY A2093 -15.803 2.770 1.260 1.00 0.26 H new ATOM 0 HA3 GLY A2093 -14.969 3.470 -0.114 1.00 0.26 H new ATOM 699 N ILE A2094 -13.193 1.094 0.861 1.00 0.22 N ATOM 700 CA ILE A2094 -12.611 -0.203 0.560 1.00 0.19 C ATOM 701 C ILE A2094 -13.475 -1.332 1.099 1.00 0.18 C ATOM 702 O ILE A2094 -13.799 -1.368 2.286 1.00 0.22 O ATOM 703 CB ILE A2094 -11.192 -0.317 1.155 1.00 0.19 C ATOM 704 CG1 ILE A2094 -10.231 0.617 0.421 1.00 0.24 C ATOM 705 CG2 ILE A2094 -10.677 -1.753 1.106 1.00 0.21 C ATOM 706 CD1 ILE A2094 -10.043 0.260 -1.032 1.00 0.28 C ATOM 0 H ILE A2094 -12.627 1.670 1.484 1.00 0.22 H new ATOM 0 HA ILE A2094 -12.555 -0.290 -0.525 1.00 0.19 H new ATOM 0 HB ILE A2094 -11.246 -0.019 2.202 1.00 0.19 H new ATOM 0 HG12 ILE A2094 -10.604 1.639 0.491 1.00 0.24 H new ATOM 0 HG13 ILE A2094 -9.263 0.596 0.921 1.00 0.24 H new ATOM 0 HG21 ILE A2094 -9.675 -1.795 1.533 1.00 0.21 H new ATOM 0 HG22 ILE A2094 -11.343 -2.398 1.679 1.00 0.21 H new ATOM 0 HG23 ILE A2094 -10.644 -2.093 0.071 1.00 0.21 H new ATOM 0 HD11 ILE A2094 -9.349 0.963 -1.493 1.00 0.28 H new ATOM 0 HD12 ILE A2094 -9.641 -0.750 -1.109 1.00 0.28 H new ATOM 0 HD13 ILE A2094 -11.003 0.309 -1.546 1.00 0.28 H new ATOM 718 N ASP A2095 -13.859 -2.233 0.214 1.00 0.19 N ATOM 719 CA ASP A2095 -14.568 -3.438 0.612 1.00 0.26 C ATOM 720 C ASP A2095 -13.587 -4.589 0.679 1.00 0.21 C ATOM 721 O ASP A2095 -12.382 -4.379 0.660 1.00 0.23 O ATOM 722 CB ASP A2095 -15.680 -3.794 -0.379 1.00 0.40 C ATOM 723 CG ASP A2095 -16.788 -2.767 -0.425 1.00 0.77 C ATOM 724 OD1 ASP A2095 -17.554 -2.666 0.553 1.00 0.94 O ATOM 725 OD2 ASP A2095 -16.897 -2.049 -1.441 1.00 1.07 O ATOM 0 H ASP A2095 -13.692 -2.154 -0.789 1.00 0.19 H new ATOM 0 HA ASP A2095 -15.023 -3.256 1.586 1.00 0.26 H new ATOM 0 HB2 ASP A2095 -15.250 -3.900 -1.375 1.00 0.40 H new ATOM 0 HB3 ASP A2095 -16.102 -4.762 -0.109 1.00 0.40 H new ATOM 730 N SER A2096 -14.091 -5.802 0.735 1.00 0.30 N ATOM 731 CA SER A2096 -13.227 -6.962 0.616 1.00 0.35 C ATOM 732 C SER A2096 -12.874 -7.158 -0.852 1.00 0.30 C ATOM 733 O SER A2096 -11.884 -7.800 -1.201 1.00 0.38 O ATOM 734 CB SER A2096 -13.920 -8.204 1.181 1.00 0.51 C ATOM 735 OG SER A2096 -15.343 -8.006 1.124 1.00 0.85 O ATOM 0 H SER A2096 -15.081 -6.013 0.860 1.00 0.30 H new ATOM 0 HA SER A2096 -12.314 -6.804 1.190 1.00 0.35 H new ATOM 0 HB2 SER A2096 -13.638 -9.087 0.608 1.00 0.51 H new ATOM 0 HB3 SER A2096 -13.604 -8.378 2.210 1.00 0.51 H new ATOM 740 N LEU A2097 -13.702 -6.557 -1.697 1.00 0.29 N ATOM 741 CA LEU A2097 -13.549 -6.624 -3.142 1.00 0.35 C ATOM 742 C LEU A2097 -12.384 -5.766 -3.599 1.00 0.26 C ATOM 743 O LEU A2097 -11.418 -6.253 -4.170 1.00 0.35 O ATOM 744 CB LEU A2097 -14.833 -6.138 -3.807 1.00 0.50 C ATOM 745 CG LEU A2097 -16.090 -6.759 -3.240 1.00 1.06 C ATOM 746 CD1 LEU A2097 -17.338 -6.131 -3.833 1.00 1.39 C ATOM 747 CD2 LEU A2097 -16.060 -8.234 -3.495 1.00 1.65 C ATOM 0 H LEU A2097 -14.505 -6.005 -1.395 1.00 0.29 H new ATOM 0 HA LEU A2097 -13.350 -7.657 -3.427 1.00 0.35 H new ATOM 0 HB2 LEU A2097 -14.896 -5.055 -3.704 1.00 0.50 H new ATOM 0 HB3 LEU A2097 -14.782 -6.354 -4.874 1.00 0.50 H new ATOM 0 HG LEU A2097 -16.123 -6.575 -2.166 1.00 1.06 H new ATOM 0 HD11 LEU A2097 -18.222 -6.602 -3.403 1.00 1.39 H new ATOM 0 HD12 LEU A2097 -17.350 -5.064 -3.609 1.00 1.39 H new ATOM 0 HD13 LEU A2097 -17.340 -6.275 -4.913 1.00 1.39 H new ATOM 0 HD21 LEU A2097 -16.962 -8.692 -3.090 1.00 1.65 H new ATOM 0 HD22 LEU A2097 -16.011 -8.417 -4.568 1.00 1.65 H new ATOM 0 HD23 LEU A2097 -15.185 -8.669 -3.013 1.00 1.65 H new ATOM 759 N THR A2098 -12.471 -4.484 -3.317 1.00 0.19 N ATOM 760 CA THR A2098 -11.428 -3.553 -3.710 1.00 0.16 C ATOM 761 C THR A2098 -10.182 -3.698 -2.845 1.00 0.15 C ATOM 762 O THR A2098 -9.139 -3.110 -3.134 1.00 0.19 O ATOM 763 CB THR A2098 -11.946 -2.112 -3.678 1.00 0.21 C ATOM 764 OG1 THR A2098 -12.916 -1.965 -2.628 1.00 0.26 O ATOM 765 CG2 THR A2098 -12.564 -1.756 -5.019 1.00 0.27 C ATOM 0 H THR A2098 -13.252 -4.060 -2.817 1.00 0.19 H new ATOM 0 HA THR A2098 -11.144 -3.797 -4.734 1.00 0.16 H new ATOM 0 HB THR A2098 -11.113 -1.436 -3.484 1.00 0.21 H new ATOM 0 HG1 THR A2098 -13.565 -1.274 -2.877 1.00 0.26 H new ATOM 0 HG21 THR A2098 -12.931 -0.730 -4.990 1.00 0.27 H new ATOM 0 HG22 THR A2098 -11.812 -1.851 -5.803 1.00 0.27 H new ATOM 0 HG23 THR A2098 -13.393 -2.432 -5.228 1.00 0.27 H new ATOM 773 N ALA A2099 -10.289 -4.500 -1.795 1.00 0.15 N ATOM 774 CA ALA A2099 -9.144 -4.820 -0.963 1.00 0.19 C ATOM 775 C ALA A2099 -8.140 -5.657 -1.743 1.00 0.22 C ATOM 776 O ALA A2099 -6.936 -5.406 -1.691 1.00 0.29 O ATOM 777 CB ALA A2099 -9.585 -5.554 0.288 1.00 0.21 C ATOM 0 H ALA A2099 -11.161 -4.941 -1.501 1.00 0.15 H new ATOM 0 HA ALA A2099 -8.663 -3.889 -0.665 1.00 0.19 H new ATOM 0 HB1 ALA A2099 -8.713 -5.786 0.900 1.00 0.21 H new ATOM 0 HB2 ALA A2099 -10.270 -4.925 0.856 1.00 0.21 H new ATOM 0 HB3 ALA A2099 -10.089 -6.479 0.008 1.00 0.21 H new ATOM 783 N LEU A2100 -8.636 -6.646 -2.485 1.00 0.22 N ATOM 784 CA LEU A2100 -7.760 -7.482 -3.292 1.00 0.27 C ATOM 785 C LEU A2100 -7.199 -6.679 -4.458 1.00 0.26 C ATOM 786 O LEU A2100 -6.037 -6.833 -4.816 1.00 0.29 O ATOM 787 CB LEU A2100 -8.477 -8.763 -3.767 1.00 0.31 C ATOM 788 CG LEU A2100 -9.822 -8.580 -4.485 1.00 0.33 C ATOM 789 CD1 LEU A2100 -9.633 -8.286 -5.967 1.00 0.36 C ATOM 790 CD2 LEU A2100 -10.694 -9.811 -4.293 1.00 0.40 C ATOM 0 H LEU A2100 -9.626 -6.883 -2.542 1.00 0.22 H new ATOM 0 HA LEU A2100 -6.925 -7.807 -2.671 1.00 0.27 H new ATOM 0 HB2 LEU A2100 -7.805 -9.299 -4.437 1.00 0.31 H new ATOM 0 HB3 LEU A2100 -8.640 -9.402 -2.899 1.00 0.31 H new ATOM 0 HG LEU A2100 -10.321 -7.719 -4.041 1.00 0.33 H new ATOM 0 HD11 LEU A2100 -10.607 -8.163 -6.441 1.00 0.36 H new ATOM 0 HD12 LEU A2100 -9.054 -7.370 -6.085 1.00 0.36 H new ATOM 0 HD13 LEU A2100 -9.103 -9.114 -6.437 1.00 0.36 H new ATOM 0 HD21 LEU A2100 -11.644 -9.667 -4.807 1.00 0.40 H new ATOM 0 HD22 LEU A2100 -10.187 -10.684 -4.704 1.00 0.40 H new ATOM 0 HD23 LEU A2100 -10.877 -9.965 -3.230 1.00 0.40 H new ATOM 802 N GLU A2101 -8.025 -5.801 -5.021 1.00 0.24 N ATOM 803 CA GLU A2101 -7.598 -4.901 -6.085 1.00 0.26 C ATOM 804 C GLU A2101 -6.460 -4.007 -5.627 1.00 0.24 C ATOM 805 O GLU A2101 -5.521 -3.744 -6.381 1.00 0.27 O ATOM 806 CB GLU A2101 -8.778 -4.047 -6.518 1.00 0.29 C ATOM 807 CG GLU A2101 -9.884 -4.856 -7.148 1.00 0.35 C ATOM 808 CD GLU A2101 -9.571 -5.215 -8.582 1.00 0.50 C ATOM 809 OE1 GLU A2101 -10.058 -4.520 -9.495 1.00 0.72 O ATOM 810 OE2 GLU A2101 -8.855 -6.214 -8.807 1.00 0.56 O ATOM 0 H GLU A2101 -9.004 -5.695 -4.753 1.00 0.24 H new ATOM 0 HA GLU A2101 -7.239 -5.499 -6.923 1.00 0.26 H new ATOM 0 HB2 GLU A2101 -9.172 -3.514 -5.653 1.00 0.29 H new ATOM 0 HB3 GLU A2101 -8.435 -3.294 -7.228 1.00 0.29 H new ATOM 0 HG2 GLU A2101 -10.041 -5.767 -6.571 1.00 0.35 H new ATOM 0 HG3 GLU A2101 -10.815 -4.290 -7.110 1.00 0.35 H new ATOM 817 N LEU A2102 -6.551 -3.527 -4.397 1.00 0.21 N ATOM 818 CA LEU A2102 -5.496 -2.719 -3.825 1.00 0.22 C ATOM 819 C LEU A2102 -4.206 -3.522 -3.754 1.00 0.24 C ATOM 820 O LEU A2102 -3.153 -3.046 -4.171 1.00 0.27 O ATOM 821 CB LEU A2102 -5.901 -2.231 -2.441 1.00 0.24 C ATOM 822 CG LEU A2102 -5.650 -0.749 -2.185 1.00 0.28 C ATOM 823 CD1 LEU A2102 -6.218 -0.356 -0.848 1.00 0.65 C ATOM 824 CD2 LEU A2102 -4.171 -0.429 -2.234 1.00 0.57 C ATOM 0 H LEU A2102 -7.347 -3.685 -3.779 1.00 0.21 H new ATOM 0 HA LEU A2102 -5.329 -1.850 -4.461 1.00 0.22 H new ATOM 0 HB2 LEU A2102 -6.962 -2.436 -2.295 1.00 0.24 H new ATOM 0 HB3 LEU A2102 -5.359 -2.811 -1.694 1.00 0.24 H new ATOM 0 HG LEU A2102 -6.146 -0.179 -2.970 1.00 0.28 H new ATOM 0 HD11 LEU A2102 -6.035 0.704 -0.672 1.00 0.65 H new ATOM 0 HD12 LEU A2102 -7.291 -0.545 -0.839 1.00 0.65 H new ATOM 0 HD13 LEU A2102 -5.740 -0.942 -0.063 1.00 0.65 H new ATOM 0 HD21 LEU A2102 -4.023 0.635 -2.048 1.00 0.57 H new ATOM 0 HD22 LEU A2102 -3.648 -1.007 -1.472 1.00 0.57 H new ATOM 0 HD23 LEU A2102 -3.776 -0.684 -3.217 1.00 0.57 H new ATOM 836 N ARG A2103 -4.298 -4.751 -3.248 1.00 0.26 N ATOM 837 CA ARG A2103 -3.139 -5.636 -3.196 1.00 0.34 C ATOM 838 C ARG A2103 -2.602 -5.861 -4.599 1.00 0.35 C ATOM 839 O ARG A2103 -1.401 -5.783 -4.826 1.00 0.43 O ATOM 840 CB ARG A2103 -3.484 -6.988 -2.581 1.00 0.48 C ATOM 841 CG ARG A2103 -4.236 -6.902 -1.273 1.00 0.94 C ATOM 842 CD ARG A2103 -4.290 -8.256 -0.587 1.00 0.77 C ATOM 843 NE ARG A2103 -4.614 -9.328 -1.530 1.00 0.94 N ATOM 844 CZ ARG A2103 -5.747 -10.029 -1.518 1.00 1.48 C ATOM 845 NH1 ARG A2103 -6.709 -9.744 -0.649 1.00 2.43 N ATOM 846 NH2 ARG A2103 -5.926 -11.007 -2.396 1.00 1.60 N ATOM 0 H ARG A2103 -5.157 -5.153 -2.871 1.00 0.26 H new ATOM 0 HA ARG A2103 -2.388 -5.154 -2.570 1.00 0.34 H new ATOM 0 HB2 ARG A2103 -4.082 -7.556 -3.294 1.00 0.48 H new ATOM 0 HB3 ARG A2103 -2.562 -7.547 -2.421 1.00 0.48 H new ATOM 0 HG2 ARG A2103 -3.752 -6.177 -0.618 1.00 0.94 H new ATOM 0 HG3 ARG A2103 -5.249 -6.541 -1.454 1.00 0.94 H new ATOM 0 HD2 ARG A2103 -3.329 -8.464 -0.116 1.00 0.77 H new ATOM 0 HD3 ARG A2103 -5.036 -8.232 0.207 1.00 0.77 H new ATOM 0 HE ARG A2103 -3.924 -9.554 -2.246 1.00 0.94 H new ATOM 0 HH11 ARG A2103 -6.585 -8.982 0.018 1.00 2.43 H new ATOM 0 HH12 ARG A2103 -7.573 -10.287 -0.648 1.00 2.43 H new ATOM 0 HH21 ARG A2103 -5.198 -11.220 -3.077 1.00 1.60 H new ATOM 0 HH22 ARG A2103 -6.792 -11.546 -2.390 1.00 1.60 H new ATOM 860 N ASN A2104 -3.512 -6.139 -5.529 1.00 0.33 N ATOM 861 CA ASN A2104 -3.172 -6.317 -6.940 1.00 0.38 C ATOM 862 C ASN A2104 -2.325 -5.155 -7.439 1.00 0.39 C ATOM 863 O ASN A2104 -1.287 -5.349 -8.074 1.00 0.48 O ATOM 864 CB ASN A2104 -4.448 -6.415 -7.786 1.00 0.39 C ATOM 865 CG ASN A2104 -5.231 -7.692 -7.546 1.00 0.43 C ATOM 866 OD1 ASN A2104 -4.672 -8.719 -7.161 1.00 0.47 O ATOM 867 ND2 ASN A2104 -6.536 -7.641 -7.785 1.00 0.44 N ATOM 0 H ASN A2104 -4.506 -6.247 -5.327 1.00 0.33 H new ATOM 0 HA ASN A2104 -2.601 -7.240 -7.036 1.00 0.38 H new ATOM 0 HB2 ASN A2104 -5.087 -5.559 -7.568 1.00 0.39 H new ATOM 0 HB3 ASN A2104 -4.182 -6.353 -8.841 1.00 0.39 H new ATOM 0 HD21 ASN A2104 -7.112 -8.472 -7.650 1.00 0.44 H new ATOM 0 HD22 ASN A2104 -6.963 -6.771 -8.103 1.00 0.44 H new ATOM 874 N THR A2105 -2.766 -3.948 -7.122 1.00 0.33 N ATOM 875 CA THR A2105 -2.072 -2.746 -7.540 1.00 0.39 C ATOM 876 C THR A2105 -0.725 -2.621 -6.824 1.00 0.42 C ATOM 877 O THR A2105 0.301 -2.357 -7.450 1.00 0.51 O ATOM 878 CB THR A2105 -2.929 -1.494 -7.262 1.00 0.41 C ATOM 879 OG1 THR A2105 -4.275 -1.710 -7.717 1.00 0.46 O ATOM 880 CG2 THR A2105 -2.348 -0.276 -7.961 1.00 0.51 C ATOM 0 H THR A2105 -3.608 -3.777 -6.572 1.00 0.33 H new ATOM 0 HA THR A2105 -1.895 -2.819 -8.613 1.00 0.39 H new ATOM 0 HB THR A2105 -2.930 -1.314 -6.187 1.00 0.41 H new ATOM 0 HG1 THR A2105 -4.729 -2.332 -7.111 1.00 0.46 H new ATOM 0 HG21 THR A2105 -2.969 0.595 -7.751 1.00 0.51 H new ATOM 0 HG22 THR A2105 -1.336 -0.096 -7.598 1.00 0.51 H new ATOM 0 HG23 THR A2105 -2.322 -0.452 -9.036 1.00 0.51 H new ATOM 888 N LEU A2106 -0.736 -2.839 -5.512 1.00 0.42 N ATOM 889 CA LEU A2106 0.472 -2.730 -4.699 1.00 0.55 C ATOM 890 C LEU A2106 1.514 -3.768 -5.110 1.00 0.54 C ATOM 891 O LEU A2106 2.679 -3.440 -5.265 1.00 0.56 O ATOM 892 CB LEU A2106 0.133 -2.891 -3.212 1.00 0.74 C ATOM 893 CG LEU A2106 -0.843 -1.856 -2.650 1.00 0.44 C ATOM 894 CD1 LEU A2106 -1.156 -2.148 -1.190 1.00 1.13 C ATOM 895 CD2 LEU A2106 -0.284 -0.452 -2.803 1.00 0.81 C ATOM 0 H LEU A2106 -1.573 -3.093 -4.987 1.00 0.42 H new ATOM 0 HA LEU A2106 0.894 -1.739 -4.865 1.00 0.55 H new ATOM 0 HB2 LEU A2106 -0.287 -3.885 -3.057 1.00 0.74 H new ATOM 0 HB3 LEU A2106 1.058 -2.843 -2.638 1.00 0.74 H new ATOM 0 HG LEU A2106 -1.770 -1.921 -3.219 1.00 0.44 H new ATOM 0 HD11 LEU A2106 -1.852 -1.400 -0.810 1.00 1.13 H new ATOM 0 HD12 LEU A2106 -1.605 -3.138 -1.105 1.00 1.13 H new ATOM 0 HD13 LEU A2106 -0.235 -2.116 -0.607 1.00 1.13 H new ATOM 0 HD21 LEU A2106 -0.994 0.269 -2.397 1.00 0.81 H new ATOM 0 HD22 LEU A2106 0.660 -0.375 -2.263 1.00 0.81 H new ATOM 0 HD23 LEU A2106 -0.116 -0.240 -3.859 1.00 0.81 H new ATOM 907 N THR A2107 1.088 -5.011 -5.300 1.00 0.56 N ATOM 908 CA THR A2107 1.993 -6.091 -5.681 1.00 0.62 C ATOM 909 C THR A2107 2.741 -5.746 -6.970 1.00 0.60 C ATOM 910 O THR A2107 3.958 -5.928 -7.072 1.00 0.64 O ATOM 911 CB THR A2107 1.211 -7.405 -5.880 1.00 0.69 C ATOM 912 OG1 THR A2107 0.395 -7.666 -4.731 1.00 0.73 O ATOM 913 CG2 THR A2107 2.151 -8.575 -6.101 1.00 0.81 C ATOM 0 H THR A2107 0.115 -5.298 -5.196 1.00 0.56 H new ATOM 0 HA THR A2107 2.716 -6.219 -4.876 1.00 0.62 H new ATOM 0 HB THR A2107 0.583 -7.291 -6.764 1.00 0.69 H new ATOM 0 HG1 THR A2107 -0.463 -7.201 -4.826 1.00 0.73 H new ATOM 0 HG21 THR A2107 1.570 -9.487 -6.238 1.00 0.81 H new ATOM 0 HG22 THR A2107 2.756 -8.393 -6.989 1.00 0.81 H new ATOM 0 HG23 THR A2107 2.803 -8.687 -5.235 1.00 0.81 H new ATOM 921 N HIS A2108 2.004 -5.216 -7.938 1.00 0.58 N ATOM 922 CA HIS A2108 2.571 -4.827 -9.223 1.00 0.62 C ATOM 923 C HIS A2108 3.511 -3.628 -9.074 1.00 0.60 C ATOM 924 O HIS A2108 4.390 -3.412 -9.904 1.00 0.68 O ATOM 925 CB HIS A2108 1.433 -4.503 -10.204 1.00 0.68 C ATOM 926 CG HIS A2108 1.882 -3.962 -11.531 1.00 1.20 C ATOM 927 ND1 HIS A2108 2.422 -4.747 -12.525 1.00 1.74 N ATOM 928 CD2 HIS A2108 1.861 -2.700 -12.024 1.00 2.24 C ATOM 929 CE1 HIS A2108 2.713 -3.994 -13.568 1.00 2.48 C ATOM 930 NE2 HIS A2108 2.381 -2.748 -13.292 1.00 2.81 N ATOM 0 H HIS A2108 1.002 -5.044 -7.856 1.00 0.58 H new ATOM 0 HA HIS A2108 3.160 -5.658 -9.612 1.00 0.62 H new ATOM 0 HB2 HIS A2108 0.850 -5.408 -10.375 1.00 0.68 H new ATOM 0 HB3 HIS A2108 0.766 -3.778 -9.738 1.00 0.68 H new ATOM 0 HD2 HIS A2108 1.501 -1.819 -11.513 1.00 2.24 H new ATOM 0 HE1 HIS A2108 3.150 -4.340 -14.493 1.00 2.48 H new ATOM 0 HE2 HIS A2108 2.493 -1.951 -13.919 1.00 2.81 H new ATOM 939 N ASN A2109 3.328 -2.862 -8.009 1.00 0.57 N ATOM 940 CA ASN A2109 4.080 -1.630 -7.814 1.00 0.64 C ATOM 941 C ASN A2109 5.211 -1.794 -6.805 1.00 0.66 C ATOM 942 O ASN A2109 6.083 -0.933 -6.700 1.00 0.85 O ATOM 943 CB ASN A2109 3.134 -0.521 -7.364 1.00 0.82 C ATOM 944 CG ASN A2109 2.464 0.175 -8.531 1.00 1.61 C ATOM 945 OD1 ASN A2109 3.004 1.124 -9.091 1.00 1.85 O ATOM 946 ND2 ASN A2109 1.285 -0.289 -8.909 1.00 2.60 N ATOM 0 H ASN A2109 2.663 -3.072 -7.264 1.00 0.57 H new ATOM 0 HA ASN A2109 4.537 -1.367 -8.768 1.00 0.64 H new ATOM 0 HB2 ASN A2109 2.371 -0.941 -6.709 1.00 0.82 H new ATOM 0 HB3 ASN A2109 3.689 0.211 -6.778 1.00 0.82 H new ATOM 0 HD21 ASN A2109 0.793 0.144 -9.691 1.00 2.60 H new ATOM 0 HD22 ASN A2109 0.867 -1.080 -8.419 1.00 2.60 H new ATOM 953 N THR A2110 5.195 -2.893 -6.067 1.00 0.65 N ATOM 954 CA THR A2110 6.196 -3.136 -5.038 1.00 0.78 C ATOM 955 C THR A2110 7.233 -4.153 -5.510 1.00 0.81 C ATOM 956 O THR A2110 8.308 -4.297 -4.916 1.00 1.02 O ATOM 957 CB THR A2110 5.534 -3.626 -3.737 1.00 0.83 C ATOM 958 OG1 THR A2110 4.742 -4.790 -4.001 1.00 0.72 O ATOM 959 CG2 THR A2110 4.651 -2.539 -3.143 1.00 1.03 C ATOM 0 H THR A2110 4.499 -3.633 -6.161 1.00 0.65 H new ATOM 0 HA THR A2110 6.703 -2.191 -4.840 1.00 0.78 H new ATOM 0 HB THR A2110 6.320 -3.872 -3.023 1.00 0.83 H new ATOM 0 HG1 THR A2110 3.920 -4.528 -4.467 1.00 0.72 H new ATOM 0 HG21 THR A2110 4.192 -2.905 -2.224 1.00 1.03 H new ATOM 0 HG22 THR A2110 5.256 -1.660 -2.922 1.00 1.03 H new ATOM 0 HG23 THR A2110 3.871 -2.273 -3.857 1.00 1.03 H new ATOM 967 N GLY A2111 6.891 -4.875 -6.568 1.00 0.72 N ATOM 968 CA GLY A2111 7.836 -5.768 -7.204 1.00 0.86 C ATOM 969 C GLY A2111 7.815 -7.172 -6.640 1.00 0.88 C ATOM 970 O GLY A2111 8.015 -8.141 -7.367 1.00 1.05 O ATOM 0 H GLY A2111 5.967 -4.857 -7.000 1.00 0.72 H new ATOM 0 HA2 GLY A2111 7.621 -5.811 -8.272 1.00 0.86 H new ATOM 0 HA3 GLY A2111 8.840 -5.357 -7.097 1.00 0.86 H new ATOM 974 N LEU A2112 7.550 -7.287 -5.355 1.00 0.84 N ATOM 975 CA LEU A2112 7.537 -8.572 -4.687 1.00 0.92 C ATOM 976 C LEU A2112 6.125 -9.047 -4.401 1.00 0.80 C ATOM 977 O LEU A2112 5.146 -8.387 -4.751 1.00 0.97 O ATOM 978 CB LEU A2112 8.360 -8.490 -3.400 1.00 1.21 C ATOM 979 CG LEU A2112 8.494 -7.092 -2.783 1.00 1.05 C ATOM 980 CD1 LEU A2112 7.146 -6.522 -2.378 1.00 1.45 C ATOM 981 CD2 LEU A2112 9.429 -7.138 -1.592 1.00 1.34 C ATOM 0 H LEU A2112 7.338 -6.496 -4.747 1.00 0.84 H new ATOM 0 HA LEU A2112 7.987 -9.308 -5.353 1.00 0.92 H new ATOM 0 HB2 LEU A2112 7.910 -9.152 -2.660 1.00 1.21 H new ATOM 0 HB3 LEU A2112 9.359 -8.874 -3.605 1.00 1.21 H new ATOM 0 HG LEU A2112 8.912 -6.431 -3.542 1.00 1.05 H new ATOM 0 HD11 LEU A2112 7.285 -5.531 -1.945 1.00 1.45 H new ATOM 0 HD12 LEU A2112 6.504 -6.448 -3.256 1.00 1.45 H new ATOM 0 HD13 LEU A2112 6.680 -7.177 -1.642 1.00 1.45 H new ATOM 0 HD21 LEU A2112 9.518 -6.141 -1.161 1.00 1.34 H new ATOM 0 HD22 LEU A2112 9.031 -7.823 -0.843 1.00 1.34 H new ATOM 0 HD23 LEU A2112 10.412 -7.483 -1.914 1.00 1.34 H new ATOM 993 N ASP A2113 6.044 -10.200 -3.768 1.00 0.77 N ATOM 994 CA ASP A2113 4.781 -10.858 -3.505 1.00 0.77 C ATOM 995 C ASP A2113 4.056 -10.199 -2.338 1.00 0.92 C ATOM 996 O ASP A2113 4.681 -9.548 -1.496 1.00 1.14 O ATOM 997 CB ASP A2113 5.049 -12.333 -3.221 1.00 0.83 C ATOM 998 CG ASP A2113 3.784 -13.144 -3.032 1.00 0.91 C ATOM 999 OD1 ASP A2113 3.691 -13.887 -2.032 1.00 0.90 O ATOM 1000 OD2 ASP A2113 2.865 -13.025 -3.873 1.00 1.18 O ATOM 0 H ASP A2113 6.857 -10.709 -3.420 1.00 0.77 H new ATOM 0 HA ASP A2113 4.133 -10.768 -4.377 1.00 0.77 H new ATOM 0 HB2 ASP A2113 5.624 -12.756 -4.044 1.00 0.83 H new ATOM 0 HB3 ASP A2113 5.664 -12.418 -2.325 1.00 0.83 H new ATOM 1005 N LEU A2114 2.744 -10.363 -2.298 1.00 1.05 N ATOM 1006 CA LEU A2114 1.929 -9.731 -1.277 1.00 1.34 C ATOM 1007 C LEU A2114 0.833 -10.694 -0.812 1.00 1.00 C ATOM 1008 O LEU A2114 0.167 -11.325 -1.635 1.00 1.04 O ATOM 1009 CB LEU A2114 1.311 -8.452 -1.843 1.00 1.98 C ATOM 1010 CG LEU A2114 1.092 -7.323 -0.837 1.00 2.33 C ATOM 1011 CD1 LEU A2114 2.423 -6.834 -0.285 1.00 2.71 C ATOM 1012 CD2 LEU A2114 0.333 -6.177 -1.488 1.00 2.95 C ATOM 0 H LEU A2114 2.220 -10.931 -2.964 1.00 1.05 H new ATOM 0 HA LEU A2114 2.551 -9.477 -0.419 1.00 1.34 H new ATOM 0 HB2 LEU A2114 1.953 -8.083 -2.642 1.00 1.98 H new ATOM 0 HB3 LEU A2114 0.351 -8.703 -2.295 1.00 1.98 H new ATOM 0 HG LEU A2114 0.498 -7.708 -0.008 1.00 2.33 H new ATOM 0 HD11 LEU A2114 2.247 -6.030 0.430 1.00 2.71 H new ATOM 0 HD12 LEU A2114 2.935 -7.657 0.214 1.00 2.71 H new ATOM 0 HD13 LEU A2114 3.042 -6.464 -1.102 1.00 2.71 H new ATOM 0 HD21 LEU A2114 0.184 -5.379 -0.760 1.00 2.95 H new ATOM 0 HD22 LEU A2114 0.906 -5.795 -2.333 1.00 2.95 H new ATOM 0 HD23 LEU A2114 -0.635 -6.534 -1.838 1.00 2.95 H new ATOM 1024 N PRO A2115 0.641 -10.822 0.512 1.00 0.85 N ATOM 1025 CA PRO A2115 -0.329 -11.762 1.094 1.00 0.64 C ATOM 1026 C PRO A2115 -1.780 -11.353 0.850 1.00 0.57 C ATOM 1027 O PRO A2115 -2.099 -10.168 0.763 1.00 0.58 O ATOM 1028 CB PRO A2115 -0.025 -11.703 2.592 1.00 0.76 C ATOM 1029 CG PRO A2115 0.591 -10.366 2.803 1.00 0.98 C ATOM 1030 CD PRO A2115 1.362 -10.064 1.550 1.00 1.10 C ATOM 0 HA PRO A2115 -0.233 -12.753 0.650 1.00 0.64 H new ATOM 0 HB2 PRO A2115 -0.933 -11.818 3.185 1.00 0.76 H new ATOM 0 HB3 PRO A2115 0.654 -12.502 2.890 1.00 0.76 H new ATOM 0 HG2 PRO A2115 -0.172 -9.609 2.984 1.00 0.98 H new ATOM 0 HG3 PRO A2115 1.247 -10.372 3.673 1.00 0.98 H new ATOM 0 HD2 PRO A2115 1.373 -8.996 1.333 1.00 1.10 H new ATOM 0 HD3 PRO A2115 2.401 -10.383 1.631 1.00 1.10 H new ATOM 1038 N PRO A2116 -2.685 -12.343 0.755 1.00 0.57 N ATOM 1039 CA PRO A2116 -4.119 -12.099 0.555 1.00 0.62 C ATOM 1040 C PRO A2116 -4.789 -11.511 1.796 1.00 0.58 C ATOM 1041 O PRO A2116 -5.947 -11.099 1.759 1.00 0.68 O ATOM 1042 CB PRO A2116 -4.680 -13.491 0.255 1.00 0.73 C ATOM 1043 CG PRO A2116 -3.733 -14.431 0.917 1.00 0.75 C ATOM 1044 CD PRO A2116 -2.378 -13.786 0.820 1.00 0.63 C ATOM 0 HA PRO A2116 -4.300 -11.372 -0.237 1.00 0.62 H new ATOM 0 HB2 PRO A2116 -5.690 -13.604 0.649 1.00 0.73 H new ATOM 0 HB3 PRO A2116 -4.734 -13.673 -0.818 1.00 0.73 H new ATOM 0 HG2 PRO A2116 -4.012 -14.599 1.957 1.00 0.75 H new ATOM 0 HG3 PRO A2116 -3.739 -15.403 0.424 1.00 0.75 H new ATOM 0 HD2 PRO A2116 -1.757 -14.025 1.683 1.00 0.63 H new ATOM 0 HD3 PRO A2116 -1.837 -14.121 -0.065 1.00 0.63 H new ATOM 1052 N THR A2117 -4.051 -11.469 2.890 1.00 0.54 N ATOM 1053 CA THR A2117 -4.551 -10.915 4.136 1.00 0.59 C ATOM 1054 C THR A2117 -4.034 -9.499 4.331 1.00 0.50 C ATOM 1055 O THR A2117 -4.248 -8.885 5.368 1.00 0.54 O ATOM 1056 CB THR A2117 -4.158 -11.791 5.334 1.00 0.73 C ATOM 1057 OG1 THR A2117 -2.786 -12.187 5.216 1.00 0.74 O ATOM 1058 CG2 THR A2117 -5.050 -13.019 5.413 1.00 0.86 C ATOM 0 H THR A2117 -3.093 -11.816 2.941 1.00 0.54 H new ATOM 0 HA THR A2117 -5.639 -10.891 4.077 1.00 0.59 H new ATOM 0 HB THR A2117 -4.287 -11.212 6.248 1.00 0.73 H new ATOM 0 HG1 THR A2117 -2.539 -12.744 5.983 1.00 0.74 H new ATOM 0 HG21 THR A2117 -4.756 -13.628 6.268 1.00 0.86 H new ATOM 0 HG22 THR A2117 -6.088 -12.708 5.529 1.00 0.86 H new ATOM 0 HG23 THR A2117 -4.946 -13.604 4.499 1.00 0.86 H new ATOM 1066 N LEU A2118 -3.330 -9.013 3.315 1.00 0.45 N ATOM 1067 CA LEU A2118 -2.741 -7.677 3.301 1.00 0.45 C ATOM 1068 C LEU A2118 -3.690 -6.612 3.866 1.00 0.41 C ATOM 1069 O LEU A2118 -3.413 -6.021 4.913 1.00 0.43 O ATOM 1070 CB LEU A2118 -2.365 -7.346 1.855 1.00 0.49 C ATOM 1071 CG LEU A2118 -1.312 -6.267 1.648 1.00 0.40 C ATOM 1072 CD1 LEU A2118 -1.934 -4.887 1.619 1.00 0.70 C ATOM 1073 CD2 LEU A2118 -0.254 -6.366 2.720 1.00 0.65 C ATOM 0 H LEU A2118 -3.149 -9.544 2.463 1.00 0.45 H new ATOM 0 HA LEU A2118 -1.861 -7.672 3.944 1.00 0.45 H new ATOM 0 HB2 LEU A2118 -2.012 -8.260 1.378 1.00 0.49 H new ATOM 0 HB3 LEU A2118 -3.270 -7.042 1.330 1.00 0.49 H new ATOM 0 HG LEU A2118 -0.841 -6.428 0.678 1.00 0.40 H new ATOM 0 HD11 LEU A2118 -1.155 -4.140 1.470 1.00 0.70 H new ATOM 0 HD12 LEU A2118 -2.653 -4.829 0.802 1.00 0.70 H new ATOM 0 HD13 LEU A2118 -2.442 -4.697 2.564 1.00 0.70 H new ATOM 0 HD21 LEU A2118 0.496 -5.590 2.564 1.00 0.65 H new ATOM 0 HD22 LEU A2118 -0.715 -6.234 3.699 1.00 0.65 H new ATOM 0 HD23 LEU A2118 0.222 -7.345 2.672 1.00 0.65 H new ATOM 1085 N ILE A2119 -4.807 -6.383 3.182 1.00 0.38 N ATOM 1086 CA ILE A2119 -5.760 -5.358 3.598 1.00 0.40 C ATOM 1087 C ILE A2119 -6.595 -5.857 4.774 1.00 0.42 C ATOM 1088 O ILE A2119 -7.061 -5.078 5.598 1.00 0.50 O ATOM 1089 CB ILE A2119 -6.689 -4.946 2.434 1.00 0.42 C ATOM 1090 CG1 ILE A2119 -5.869 -4.513 1.216 1.00 0.40 C ATOM 1091 CG2 ILE A2119 -7.628 -3.823 2.858 1.00 0.42 C ATOM 1092 CD1 ILE A2119 -5.047 -3.263 1.443 1.00 0.33 C ATOM 0 H ILE A2119 -5.075 -6.892 2.339 1.00 0.38 H new ATOM 0 HA ILE A2119 -5.190 -4.481 3.906 1.00 0.40 H new ATOM 0 HB ILE A2119 -7.289 -5.814 2.162 1.00 0.42 H new ATOM 0 HG12 ILE A2119 -5.203 -5.327 0.931 1.00 0.40 H new ATOM 0 HG13 ILE A2119 -6.544 -4.345 0.377 1.00 0.40 H new ATOM 0 HG21 ILE A2119 -8.271 -3.551 2.021 1.00 0.42 H new ATOM 0 HG22 ILE A2119 -8.242 -4.158 3.694 1.00 0.42 H new ATOM 0 HG23 ILE A2119 -7.043 -2.955 3.163 1.00 0.42 H new ATOM 0 HD11 ILE A2119 -4.495 -3.021 0.535 1.00 0.33 H new ATOM 0 HD12 ILE A2119 -5.708 -2.434 1.698 1.00 0.33 H new ATOM 0 HD13 ILE A2119 -4.346 -3.432 2.260 1.00 0.33 H new ATOM 1104 N PHE A2120 -6.771 -7.170 4.839 1.00 0.46 N ATOM 1105 CA PHE A2120 -7.452 -7.814 5.959 1.00 0.53 C ATOM 1106 C PHE A2120 -6.790 -7.434 7.279 1.00 0.52 C ATOM 1107 O PHE A2120 -7.454 -7.043 8.240 1.00 0.60 O ATOM 1108 CB PHE A2120 -7.402 -9.336 5.770 1.00 0.61 C ATOM 1109 CG PHE A2120 -7.792 -10.142 6.981 1.00 1.47 C ATOM 1110 CD1 PHE A2120 -9.122 -10.413 7.261 1.00 1.67 C ATOM 1111 CD2 PHE A2120 -6.821 -10.635 7.840 1.00 2.50 C ATOM 1112 CE1 PHE A2120 -9.475 -11.156 8.370 1.00 2.55 C ATOM 1113 CE2 PHE A2120 -7.168 -11.378 8.952 1.00 3.49 C ATOM 1114 CZ PHE A2120 -8.496 -11.638 9.217 1.00 3.43 C ATOM 0 H PHE A2120 -6.448 -7.818 4.121 1.00 0.46 H new ATOM 0 HA PHE A2120 -8.489 -7.479 5.986 1.00 0.53 H new ATOM 0 HB2 PHE A2120 -8.061 -9.606 4.945 1.00 0.61 H new ATOM 0 HB3 PHE A2120 -6.391 -9.617 5.475 1.00 0.61 H new ATOM 0 HD1 PHE A2120 -9.892 -10.038 6.603 1.00 1.67 H new ATOM 0 HD2 PHE A2120 -5.779 -10.435 7.637 1.00 2.50 H new ATOM 0 HE1 PHE A2120 -10.516 -11.360 8.575 1.00 2.55 H new ATOM 0 HE2 PHE A2120 -6.401 -11.754 9.612 1.00 3.49 H new ATOM 0 HZ PHE A2120 -8.770 -12.218 10.086 1.00 3.43 H new ATOM 1124 N ASP A2121 -5.476 -7.558 7.303 1.00 0.48 N ATOM 1125 CA ASP A2121 -4.699 -7.343 8.514 1.00 0.49 C ATOM 1126 C ASP A2121 -4.414 -5.863 8.749 1.00 0.45 C ATOM 1127 O ASP A2121 -4.633 -5.352 9.846 1.00 0.51 O ATOM 1128 CB ASP A2121 -3.373 -8.098 8.429 1.00 0.50 C ATOM 1129 CG ASP A2121 -2.747 -8.341 9.791 1.00 1.20 C ATOM 1130 OD1 ASP A2121 -2.581 -7.364 10.549 1.00 1.42 O ATOM 1131 OD2 ASP A2121 -2.419 -9.503 10.112 1.00 2.00 O ATOM 0 H ASP A2121 -4.917 -7.810 6.488 1.00 0.48 H new ATOM 0 HA ASP A2121 -5.291 -7.717 9.349 1.00 0.49 H new ATOM 0 HB2 ASP A2121 -3.536 -9.055 7.933 1.00 0.50 H new ATOM 0 HB3 ASP A2121 -2.677 -7.532 7.810 1.00 0.50 H new ATOM 1136 N HIS A2122 -3.929 -5.173 7.722 1.00 0.38 N ATOM 1137 CA HIS A2122 -3.437 -3.806 7.908 1.00 0.37 C ATOM 1138 C HIS A2122 -4.121 -2.821 6.968 1.00 0.34 C ATOM 1139 O HIS A2122 -3.458 -2.265 6.093 1.00 0.32 O ATOM 1140 CB HIS A2122 -1.917 -3.713 7.642 1.00 0.35 C ATOM 1141 CG HIS A2122 -1.133 -4.964 7.916 1.00 0.45 C ATOM 1142 ND1 HIS A2122 -0.864 -6.031 7.119 1.00 0.63 N flip ATOM 1143 CD2 HIS A2122 -0.490 -5.211 9.109 1.00 0.51 C flip ATOM 1144 CE1 HIS A2122 -0.071 -6.887 7.844 1.00 0.71 C flip ATOM 1145 NE2 HIS A2122 0.139 -6.368 9.038 1.00 0.63 N flip ATOM 0 H HIS A2122 -3.865 -5.527 6.767 1.00 0.38 H new ATOM 0 HA HIS A2122 -3.661 -3.550 8.943 1.00 0.37 H new ATOM 0 HB2 HIS A2122 -1.765 -3.431 6.600 1.00 0.35 H new ATOM 0 HB3 HIS A2122 -1.508 -2.908 8.253 1.00 0.35 H new ATOM 0 HD2 HIS A2122 -0.500 -4.558 9.969 1.00 0.51 H new ATOM 0 HE1 HIS A2122 0.317 -7.832 7.493 1.00 0.71 H new ATOM 0 HE2 HIS A2122 0.695 -6.790 9.782 1.00 0.63 H new ATOM 1154 N PRO A2123 -5.431 -2.559 7.087 1.00 0.36 N ATOM 1155 CA PRO A2123 -6.031 -1.571 6.217 1.00 0.34 C ATOM 1156 C PRO A2123 -5.808 -0.156 6.744 1.00 0.32 C ATOM 1157 O PRO A2123 -6.459 0.284 7.692 1.00 0.36 O ATOM 1158 CB PRO A2123 -7.515 -1.938 6.261 1.00 0.40 C ATOM 1159 CG PRO A2123 -7.724 -2.592 7.591 1.00 0.43 C ATOM 1160 CD PRO A2123 -6.391 -3.151 8.031 1.00 0.41 C ATOM 0 HA PRO A2123 -5.609 -1.575 5.212 1.00 0.34 H new ATOM 0 HB2 PRO A2123 -8.142 -1.053 6.156 1.00 0.40 H new ATOM 0 HB3 PRO A2123 -7.777 -2.613 5.446 1.00 0.40 H new ATOM 0 HG2 PRO A2123 -8.098 -1.872 8.319 1.00 0.43 H new ATOM 0 HG3 PRO A2123 -8.468 -3.385 7.517 1.00 0.43 H new ATOM 0 HD2 PRO A2123 -6.162 -2.875 9.060 1.00 0.41 H new ATOM 0 HD3 PRO A2123 -6.379 -4.240 7.983 1.00 0.41 H new ATOM 1168 N THR A2124 -4.893 0.548 6.094 1.00 0.27 N ATOM 1169 CA THR A2124 -4.639 1.966 6.323 1.00 0.23 C ATOM 1170 C THR A2124 -3.559 2.424 5.348 1.00 0.22 C ATOM 1171 O THR A2124 -2.648 1.646 5.057 1.00 0.26 O ATOM 1172 CB THR A2124 -4.188 2.286 7.769 1.00 0.31 C ATOM 1173 OG1 THR A2124 -3.986 1.082 8.515 1.00 0.50 O ATOM 1174 CG2 THR A2124 -5.211 3.150 8.486 1.00 0.29 C ATOM 0 H THR A2124 -4.292 0.142 5.377 1.00 0.27 H new ATOM 0 HA THR A2124 -5.579 2.496 6.166 1.00 0.23 H new ATOM 0 HB THR A2124 -3.248 2.833 7.701 1.00 0.31 H new ATOM 0 HG1 THR A2124 -3.700 1.305 9.425 1.00 0.50 H new ATOM 0 HG21 THR A2124 -4.866 3.358 9.499 1.00 0.29 H new ATOM 0 HG22 THR A2124 -5.337 4.088 7.946 1.00 0.29 H new ATOM 0 HG23 THR A2124 -6.165 2.625 8.528 1.00 0.29 H new ATOM 1182 N PRO A2125 -3.620 3.651 4.822 1.00 0.19 N ATOM 1183 CA PRO A2125 -2.609 4.136 3.881 1.00 0.18 C ATOM 1184 C PRO A2125 -1.206 4.091 4.493 1.00 0.17 C ATOM 1185 O PRO A2125 -0.321 3.389 4.000 1.00 0.20 O ATOM 1186 CB PRO A2125 -3.032 5.580 3.601 1.00 0.22 C ATOM 1187 CG PRO A2125 -4.476 5.630 3.960 1.00 0.25 C ATOM 1188 CD PRO A2125 -4.649 4.659 5.092 1.00 0.24 C ATOM 0 HA PRO A2125 -2.556 3.525 2.980 1.00 0.18 H new ATOM 0 HB2 PRO A2125 -2.452 6.285 4.197 1.00 0.22 H new ATOM 0 HB3 PRO A2125 -2.875 5.842 2.555 1.00 0.22 H new ATOM 0 HG2 PRO A2125 -4.770 6.636 4.259 1.00 0.25 H new ATOM 0 HG3 PRO A2125 -5.100 5.355 3.110 1.00 0.25 H new ATOM 0 HD2 PRO A2125 -4.501 5.137 6.060 1.00 0.24 H new ATOM 0 HD3 PRO A2125 -5.648 4.223 5.101 1.00 0.24 H new ATOM 1196 N HIS A2126 -1.034 4.805 5.606 1.00 0.23 N ATOM 1197 CA HIS A2126 0.267 4.908 6.269 1.00 0.31 C ATOM 1198 C HIS A2126 0.731 3.571 6.841 1.00 0.29 C ATOM 1199 O HIS A2126 1.926 3.297 6.900 1.00 0.32 O ATOM 1200 CB HIS A2126 0.208 5.955 7.387 1.00 0.45 C ATOM 1201 CG HIS A2126 1.446 6.012 8.234 1.00 0.58 C ATOM 1202 ND1 HIS A2126 2.684 6.352 7.737 1.00 0.65 N ATOM 1203 CD2 HIS A2126 1.634 5.734 9.546 1.00 0.71 C ATOM 1204 CE1 HIS A2126 3.579 6.273 8.702 1.00 0.77 C ATOM 1205 NE2 HIS A2126 2.969 5.903 9.808 1.00 0.80 N ATOM 0 H HIS A2126 -1.782 5.322 6.069 1.00 0.23 H new ATOM 0 HA HIS A2126 0.990 5.214 5.513 1.00 0.31 H new ATOM 0 HB2 HIS A2126 0.038 6.936 6.944 1.00 0.45 H new ATOM 0 HB3 HIS A2126 -0.648 5.741 8.027 1.00 0.45 H new ATOM 0 HD2 HIS A2126 0.875 5.435 10.253 1.00 0.71 H new ATOM 0 HE1 HIS A2126 4.635 6.477 8.602 1.00 0.77 H new ATOM 0 HE2 HIS A2126 3.417 5.764 10.714 1.00 0.80 H new ATOM 1214 N ALA A2127 -0.203 2.748 7.278 1.00 0.28 N ATOM 1215 CA ALA A2127 0.152 1.487 7.910 1.00 0.29 C ATOM 1216 C ALA A2127 0.711 0.507 6.891 1.00 0.26 C ATOM 1217 O ALA A2127 1.679 -0.201 7.170 1.00 0.30 O ATOM 1218 CB ALA A2127 -1.040 0.902 8.635 1.00 0.34 C ATOM 0 H ALA A2127 -1.205 2.925 7.209 1.00 0.28 H new ATOM 0 HA ALA A2127 0.933 1.680 8.645 1.00 0.29 H new ATOM 0 HB1 ALA A2127 -0.755 -0.041 9.101 1.00 0.34 H new ATOM 0 HB2 ALA A2127 -1.377 1.599 9.402 1.00 0.34 H new ATOM 0 HB3 ALA A2127 -1.848 0.726 7.924 1.00 0.34 H new ATOM 1224 N LEU A2128 0.108 0.465 5.709 1.00 0.22 N ATOM 1225 CA LEU A2128 0.668 -0.303 4.614 1.00 0.21 C ATOM 1226 C LEU A2128 2.044 0.227 4.250 1.00 0.21 C ATOM 1227 O LEU A2128 2.940 -0.540 3.910 1.00 0.23 O ATOM 1228 CB LEU A2128 -0.243 -0.252 3.395 1.00 0.21 C ATOM 1229 CG LEU A2128 -1.528 -1.062 3.510 1.00 0.37 C ATOM 1230 CD1 LEU A2128 -2.270 -1.043 2.185 1.00 0.60 C ATOM 1231 CD2 LEU A2128 -1.219 -2.491 3.939 1.00 0.64 C ATOM 0 H LEU A2128 -0.762 0.951 5.489 1.00 0.22 H new ATOM 0 HA LEU A2128 0.757 -1.340 4.938 1.00 0.21 H new ATOM 0 HB2 LEU A2128 -0.504 0.788 3.200 1.00 0.21 H new ATOM 0 HB3 LEU A2128 0.315 -0.608 2.529 1.00 0.21 H new ATOM 0 HG LEU A2128 -2.165 -0.612 4.271 1.00 0.37 H new ATOM 0 HD11 LEU A2128 -3.188 -1.624 2.274 1.00 0.60 H new ATOM 0 HD12 LEU A2128 -2.516 -0.015 1.920 1.00 0.60 H new ATOM 0 HD13 LEU A2128 -1.640 -1.477 1.409 1.00 0.60 H new ATOM 0 HD21 LEU A2128 -2.148 -3.056 4.017 1.00 0.64 H new ATOM 0 HD22 LEU A2128 -0.569 -2.960 3.200 1.00 0.64 H new ATOM 0 HD23 LEU A2128 -0.719 -2.480 4.907 1.00 0.64 H new ATOM 1243 N THR A2129 2.205 1.544 4.338 1.00 0.21 N ATOM 1244 CA THR A2129 3.491 2.186 4.103 1.00 0.24 C ATOM 1245 C THR A2129 4.576 1.551 4.967 1.00 0.25 C ATOM 1246 O THR A2129 5.709 1.363 4.527 1.00 0.33 O ATOM 1247 CB THR A2129 3.410 3.696 4.408 1.00 0.27 C ATOM 1248 OG1 THR A2129 2.355 4.291 3.643 1.00 0.27 O ATOM 1249 CG2 THR A2129 4.722 4.398 4.097 1.00 0.32 C ATOM 0 H THR A2129 1.452 2.191 4.573 1.00 0.21 H new ATOM 0 HA THR A2129 3.746 2.048 3.052 1.00 0.24 H new ATOM 0 HB THR A2129 3.206 3.812 5.473 1.00 0.27 H new ATOM 0 HG1 THR A2129 1.495 3.916 3.926 1.00 0.27 H new ATOM 0 HG21 THR A2129 4.629 5.460 4.324 1.00 0.32 H new ATOM 0 HG22 THR A2129 5.518 3.966 4.703 1.00 0.32 H new ATOM 0 HG23 THR A2129 4.961 4.272 3.041 1.00 0.32 H new ATOM 1257 N GLN A2130 4.199 1.191 6.181 1.00 0.25 N ATOM 1258 CA GLN A2130 5.125 0.584 7.127 1.00 0.28 C ATOM 1259 C GLN A2130 5.461 -0.838 6.693 1.00 0.23 C ATOM 1260 O GLN A2130 6.626 -1.238 6.683 1.00 0.22 O ATOM 1261 CB GLN A2130 4.519 0.566 8.536 1.00 0.38 C ATOM 1262 CG GLN A2130 3.814 1.859 8.923 1.00 0.52 C ATOM 1263 CD GLN A2130 3.303 1.847 10.351 1.00 1.39 C ATOM 1264 OE1 GLN A2130 3.878 1.202 11.228 1.00 2.22 O ATOM 1265 NE2 GLN A2130 2.220 2.568 10.597 1.00 1.90 N ATOM 0 H GLN A2130 3.251 1.309 6.539 1.00 0.25 H new ATOM 0 HA GLN A2130 6.038 1.179 7.145 1.00 0.28 H new ATOM 0 HB2 GLN A2130 3.809 -0.258 8.604 1.00 0.38 H new ATOM 0 HB3 GLN A2130 5.310 0.365 9.258 1.00 0.38 H new ATOM 0 HG2 GLN A2130 4.502 2.695 8.796 1.00 0.52 H new ATOM 0 HG3 GLN A2130 2.978 2.028 8.244 1.00 0.52 H new ATOM 0 HE21 GLN A2130 1.772 3.089 9.843 1.00 1.90 H new ATOM 0 HE22 GLN A2130 1.834 2.603 11.540 1.00 1.90 H new ATOM 1274 N HIS A2131 4.432 -1.591 6.313 1.00 0.25 N ATOM 1275 CA HIS A2131 4.613 -2.974 5.886 1.00 0.27 C ATOM 1276 C HIS A2131 5.410 -3.035 4.589 1.00 0.26 C ATOM 1277 O HIS A2131 6.325 -3.846 4.444 1.00 0.30 O ATOM 1278 CB HIS A2131 3.263 -3.679 5.691 1.00 0.32 C ATOM 1279 CG HIS A2131 3.411 -5.084 5.184 1.00 0.40 C ATOM 1280 ND1 HIS A2131 4.170 -6.039 5.823 1.00 0.52 N ATOM 1281 CD2 HIS A2131 2.947 -5.671 4.056 1.00 0.42 C ATOM 1282 CE1 HIS A2131 4.175 -7.146 5.110 1.00 0.59 C ATOM 1283 NE2 HIS A2131 3.438 -6.951 4.035 1.00 0.53 N ATOM 0 H HIS A2131 3.465 -1.266 6.292 1.00 0.25 H new ATOM 0 HA HIS A2131 5.164 -3.489 6.673 1.00 0.27 H new ATOM 0 HB2 HIS A2131 2.725 -3.694 6.639 1.00 0.32 H new ATOM 0 HB3 HIS A2131 2.657 -3.106 4.990 1.00 0.32 H new ATOM 0 HD2 HIS A2131 2.310 -5.216 3.312 1.00 0.42 H new ATOM 0 HE1 HIS A2131 4.695 -8.058 5.363 1.00 0.59 H new ATOM 0 HE2 HIS A2131 3.261 -7.641 3.305 1.00 0.53 H new ATOM 1292 N LEU A2132 5.057 -2.183 3.643 1.00 0.27 N ATOM 1293 CA LEU A2132 5.728 -2.173 2.358 1.00 0.33 C ATOM 1294 C LEU A2132 7.123 -1.575 2.475 1.00 0.35 C ATOM 1295 O LEU A2132 7.976 -1.822 1.627 1.00 0.47 O ATOM 1296 CB LEU A2132 4.903 -1.436 1.296 1.00 0.36 C ATOM 1297 CG LEU A2132 3.786 -2.261 0.633 1.00 0.42 C ATOM 1298 CD1 LEU A2132 4.319 -3.604 0.156 1.00 0.48 C ATOM 1299 CD2 LEU A2132 2.611 -2.469 1.577 1.00 0.42 C ATOM 0 H LEU A2132 4.313 -1.492 3.741 1.00 0.27 H new ATOM 0 HA LEU A2132 5.829 -3.209 2.034 1.00 0.33 H new ATOM 0 HB2 LEU A2132 4.456 -0.555 1.756 1.00 0.36 H new ATOM 0 HB3 LEU A2132 5.579 -1.081 0.518 1.00 0.36 H new ATOM 0 HG LEU A2132 3.431 -1.696 -0.229 1.00 0.42 H new ATOM 0 HD11 LEU A2132 3.513 -4.171 -0.309 1.00 0.48 H new ATOM 0 HD12 LEU A2132 5.115 -3.442 -0.571 1.00 0.48 H new ATOM 0 HD13 LEU A2132 4.711 -4.162 1.006 1.00 0.48 H new ATOM 0 HD21 LEU A2132 1.841 -3.055 1.076 1.00 0.42 H new ATOM 0 HD22 LEU A2132 2.949 -2.999 2.467 1.00 0.42 H new ATOM 0 HD23 LEU A2132 2.200 -1.501 1.865 1.00 0.42 H new ATOM 1311 N HIS A2133 7.365 -0.801 3.529 1.00 0.28 N ATOM 1312 CA HIS A2133 8.706 -0.301 3.787 1.00 0.34 C ATOM 1313 C HIS A2133 9.591 -1.446 4.257 1.00 0.38 C ATOM 1314 O HIS A2133 10.795 -1.453 4.008 1.00 0.55 O ATOM 1315 CB HIS A2133 8.685 0.834 4.816 1.00 0.36 C ATOM 1316 CG HIS A2133 10.032 1.438 5.083 1.00 0.47 C ATOM 1317 ND1 HIS A2133 10.587 1.529 6.340 1.00 0.59 N ATOM 1318 CD2 HIS A2133 10.935 1.990 4.238 1.00 0.53 C ATOM 1319 CE1 HIS A2133 11.768 2.110 6.260 1.00 0.67 C ATOM 1320 NE2 HIS A2133 12.007 2.400 4.993 1.00 0.63 N ATOM 0 H HIS A2133 6.660 -0.511 4.207 1.00 0.28 H new ATOM 0 HA HIS A2133 9.114 0.108 2.863 1.00 0.34 H new ATOM 0 HB2 HIS A2133 8.010 1.615 4.467 1.00 0.36 H new ATOM 0 HB3 HIS A2133 8.276 0.455 5.752 1.00 0.36 H new ATOM 0 HD1 HIS A2133 10.151 1.198 7.201 1.00 0.59 H new ATOM 0 HD2 HIS A2133 10.831 2.090 3.168 1.00 0.53 H new ATOM 0 HE1 HIS A2133 12.428 2.314 7.090 1.00 0.67 H new ATOM 1329 N THR A2134 8.980 -2.421 4.918 1.00 0.32 N ATOM 1330 CA THR A2134 9.679 -3.636 5.298 1.00 0.43 C ATOM 1331 C THR A2134 9.990 -4.458 4.052 1.00 0.51 C ATOM 1332 O THR A2134 11.095 -4.968 3.888 1.00 0.66 O ATOM 1333 CB THR A2134 8.839 -4.479 6.276 1.00 0.55 C ATOM 1334 OG1 THR A2134 8.402 -3.662 7.372 1.00 0.59 O ATOM 1335 CG2 THR A2134 9.645 -5.657 6.804 1.00 0.74 C ATOM 0 H THR A2134 8.001 -2.391 5.201 1.00 0.32 H new ATOM 0 HA THR A2134 10.606 -3.355 5.798 1.00 0.43 H new ATOM 0 HB THR A2134 7.972 -4.865 5.740 1.00 0.55 H new ATOM 0 HG1 THR A2134 7.737 -3.016 7.054 1.00 0.59 H new ATOM 0 HG21 THR A2134 9.032 -6.238 7.493 1.00 0.74 H new ATOM 0 HG22 THR A2134 9.954 -6.289 5.971 1.00 0.74 H new ATOM 0 HG23 THR A2134 10.528 -5.289 7.327 1.00 0.74 H new ATOM 1343 N ARG A2135 9.007 -4.547 3.160 1.00 0.52 N ATOM 1344 CA ARG A2135 9.176 -5.242 1.889 1.00 0.71 C ATOM 1345 C ARG A2135 10.285 -4.576 1.073 1.00 0.88 C ATOM 1346 O ARG A2135 11.084 -5.238 0.420 1.00 1.12 O ATOM 1347 CB ARG A2135 7.864 -5.228 1.097 1.00 0.76 C ATOM 1348 CG ARG A2135 6.683 -5.798 1.863 1.00 0.74 C ATOM 1349 CD ARG A2135 6.880 -7.265 2.194 1.00 0.86 C ATOM 1350 NE ARG A2135 6.673 -8.140 1.036 1.00 1.75 N ATOM 1351 CZ ARG A2135 7.270 -9.324 0.888 1.00 2.11 C ATOM 1352 NH1 ARG A2135 8.119 -9.757 1.808 1.00 1.86 N ATOM 1353 NH2 ARG A2135 7.004 -10.082 -0.169 1.00 3.18 N ATOM 0 H ARG A2135 8.080 -4.144 3.296 1.00 0.52 H new ATOM 0 HA ARG A2135 9.453 -6.277 2.090 1.00 0.71 H new ATOM 0 HB2 ARG A2135 7.636 -4.203 0.806 1.00 0.76 H new ATOM 0 HB3 ARG A2135 7.999 -5.798 0.178 1.00 0.76 H new ATOM 0 HG2 ARG A2135 6.541 -5.234 2.785 1.00 0.74 H new ATOM 0 HG3 ARG A2135 5.775 -5.678 1.273 1.00 0.74 H new ATOM 0 HD2 ARG A2135 7.888 -7.414 2.581 1.00 0.86 H new ATOM 0 HD3 ARG A2135 6.189 -7.550 2.987 1.00 0.86 H new ATOM 0 HE ARG A2135 6.037 -7.826 0.303 1.00 1.75 H new ATOM 0 HH11 ARG A2135 8.316 -9.185 2.629 1.00 1.86 H new ATOM 0 HH12 ARG A2135 8.575 -10.662 1.695 1.00 1.86 H new ATOM 0 HH21 ARG A2135 6.340 -9.760 -0.873 1.00 3.18 H new ATOM 0 HH22 ARG A2135 7.464 -10.986 -0.277 1.00 3.18 H new ATOM 1367 N LEU A2136 10.307 -3.251 1.117 1.00 0.92 N ATOM 1368 CA LEU A2136 11.304 -2.461 0.429 1.00 1.20 C ATOM 1369 C LEU A2136 12.691 -2.640 1.035 1.00 1.16 C ATOM 1370 O LEU A2136 13.676 -2.773 0.311 1.00 1.43 O ATOM 1371 CB LEU A2136 10.910 -0.989 0.483 1.00 1.43 C ATOM 1372 CG LEU A2136 11.579 -0.125 -0.569 1.00 1.71 C ATOM 1373 CD1 LEU A2136 11.374 -0.761 -1.924 1.00 2.17 C ATOM 1374 CD2 LEU A2136 11.013 1.283 -0.547 1.00 2.37 C ATOM 0 H LEU A2136 9.627 -2.696 1.636 1.00 0.92 H new ATOM 0 HA LEU A2136 11.347 -2.804 -0.605 1.00 1.20 H new ATOM 0 HB2 LEU A2136 9.829 -0.910 0.368 1.00 1.43 H new ATOM 0 HB3 LEU A2136 11.155 -0.595 1.469 1.00 1.43 H new ATOM 0 HG LEU A2136 12.646 -0.054 -0.357 1.00 1.71 H new ATOM 0 HD11 LEU A2136 11.851 -0.149 -2.689 1.00 2.17 H new ATOM 0 HD12 LEU A2136 11.816 -1.757 -1.929 1.00 2.17 H new ATOM 0 HD13 LEU A2136 10.307 -0.837 -2.133 1.00 2.17 H new ATOM 0 HD21 LEU A2136 11.507 1.886 -1.309 1.00 2.37 H new ATOM 0 HD22 LEU A2136 9.943 1.248 -0.749 1.00 2.37 H new ATOM 0 HD23 LEU A2136 11.183 1.728 0.433 1.00 2.37 H new ATOM 1386 N THR A2137 12.767 -2.642 2.361 1.00 0.96 N ATOM 1387 CA THR A2137 14.044 -2.787 3.047 1.00 1.08 C ATOM 1388 C THR A2137 14.574 -4.214 2.923 1.00 1.17 C ATOM 1389 O THR A2137 15.724 -4.495 3.269 1.00 1.41 O ATOM 1390 CB THR A2137 13.938 -2.385 4.530 1.00 1.13 C ATOM 1391 OG1 THR A2137 12.756 -2.942 5.113 1.00 1.23 O ATOM 1392 CG2 THR A2137 13.918 -0.870 4.679 1.00 1.15 C ATOM 0 H THR A2137 11.962 -2.545 2.980 1.00 0.96 H new ATOM 0 HA THR A2137 14.749 -2.111 2.563 1.00 1.08 H new ATOM 0 HB THR A2137 14.813 -2.776 5.049 1.00 1.13 H new ATOM 0 HG1 THR A2137 12.006 -2.324 4.986 1.00 1.23 H new ATOM 0 HG21 THR A2137 13.843 -0.609 5.735 1.00 1.15 H new ATOM 0 HG22 THR A2137 14.836 -0.452 4.266 1.00 1.15 H new ATOM 0 HG23 THR A2137 13.061 -0.463 4.143 1.00 1.15 H new ATOM 1400 N GLN A2138 13.724 -5.105 2.429 1.00 1.17 N ATOM 1401 CA GLN A2138 14.129 -6.449 2.071 1.00 1.45 C ATOM 1402 C GLN A2138 15.043 -6.415 0.847 1.00 1.71 C ATOM 1403 O GLN A2138 15.762 -7.375 0.564 1.00 2.00 O ATOM 1404 CB GLN A2138 12.891 -7.295 1.799 1.00 1.78 C ATOM 1405 CG GLN A2138 12.184 -7.773 3.059 1.00 1.32 C ATOM 1406 CD GLN A2138 13.038 -8.694 3.912 1.00 1.91 C ATOM 1407 OE1 GLN A2138 13.893 -9.479 3.275 1.00 2.46 O flip ATOM 1408 NE2 GLN A2138 12.917 -8.713 5.135 1.00 2.57 N flip ATOM 0 H GLN A2138 12.736 -4.912 2.267 1.00 1.17 H new ATOM 0 HA GLN A2138 14.685 -6.894 2.896 1.00 1.45 H new ATOM 0 HB2 GLN A2138 12.190 -6.714 1.199 1.00 1.78 H new ATOM 0 HB3 GLN A2138 13.178 -8.162 1.204 1.00 1.78 H new ATOM 0 HG2 GLN A2138 11.890 -6.908 3.653 1.00 1.32 H new ATOM 0 HG3 GLN A2138 11.268 -8.294 2.779 1.00 1.32 H new ATOM 0 HE21 GLN A2138 12.247 -8.093 5.591 1.00 2.57 H new ATOM 0 HE22 GLN A2138 13.486 -9.349 5.694 1.00 2.57 H new ATOM 1417 N SER A2139 14.985 -5.289 0.128 1.00 1.82 N ATOM 1418 CA SER A2139 15.890 -5.001 -0.979 1.00 2.34 C ATOM 1419 C SER A2139 15.744 -6.035 -2.098 1.00 2.85 C ATOM 1420 O SER A2139 14.701 -6.677 -2.234 1.00 3.41 O ATOM 1421 CB SER A2139 17.329 -4.942 -0.456 1.00 2.99 C ATOM 1422 OG SER A2139 18.219 -4.398 -1.419 1.00 3.48 O ATOM 0 H SER A2139 14.303 -4.551 0.302 1.00 1.82 H new ATOM 0 HA SER A2139 15.631 -4.033 -1.407 1.00 2.34 H new ATOM 0 HB2 SER A2139 17.361 -4.338 0.451 1.00 2.99 H new ATOM 0 HB3 SER A2139 17.658 -5.945 -0.183 1.00 2.99 H new ATOM 0 HG SER A2139 19.126 -4.375 -1.050 1.00 3.48 H new ATOM 1428 N HIS A2140 16.776 -6.159 -2.917 1.00 3.20 N ATOM 1429 CA HIS A2140 16.795 -7.139 -3.989 1.00 4.12 C ATOM 1430 C HIS A2140 18.071 -7.967 -3.906 1.00 4.36 C ATOM 1431 O HIS A2140 19.124 -7.501 -4.380 1.00 4.66 O ATOM 1432 CB HIS A2140 16.650 -6.473 -5.373 1.00 4.76 C ATOM 1433 CG HIS A2140 17.664 -5.410 -5.675 1.00 5.33 C ATOM 1434 ND1 HIS A2140 18.555 -5.488 -6.724 1.00 6.07 N ATOM 1435 CD2 HIS A2140 17.910 -4.233 -5.063 1.00 5.72 C ATOM 1436 CE1 HIS A2140 19.305 -4.402 -6.741 1.00 6.78 C ATOM 1437 NE2 HIS A2140 18.932 -3.625 -5.744 1.00 6.61 N ATOM 1438 OXT HIS A2140 18.023 -9.070 -3.323 1.00 4.63 O ATOM 0 H HIS A2140 17.618 -5.587 -2.858 1.00 3.20 H new ATOM 0 HA HIS A2140 15.937 -7.800 -3.866 1.00 4.12 H new ATOM 0 HB2 HIS A2140 16.716 -7.245 -6.140 1.00 4.76 H new ATOM 0 HB3 HIS A2140 15.654 -6.035 -5.446 1.00 4.76 H new ATOM 0 HD2 HIS A2140 17.397 -3.842 -4.197 1.00 5.72 H new ATOM 0 HE1 HIS A2140 20.090 -4.187 -7.451 1.00 6.78 H new ATOM 0 HE2 HIS A2140 19.338 -2.718 -5.516 1.00 6.61 H new TER 1447 HIS A2140 HETATM 1448 P24 66S A2201 -16.124 -7.813 2.491 1.00 1.26 P HETATM 1449 O26 66S A2201 -15.264 -8.069 3.670 1.00 2.02 O HETATM 1450 O23 66S A2201 -16.757 -6.477 2.590 1.00 2.14 O HETATM 1451 O27 66S A2201 -17.198 -8.957 2.295 1.00 1.51 O HETATM 1452 C28 66S A2201 -18.001 -8.926 1.099 1.00 1.76 C HETATM 1453 C29 66S A2201 -19.269 -9.790 1.317 1.00 2.58 C HETATM 1454 C30 66S A2201 -20.389 -8.899 1.859 1.00 3.17 C HETATM 1455 C31 66S A2201 -18.975 -10.904 2.345 1.00 3.36 C HETATM 1456 C32 66S A2201 -19.725 -10.426 -0.042 1.00 3.14 C HETATM 1457 O33 66S A2201 -20.430 -9.464 -0.805 1.00 3.66 O HETATM 1458 C34 66S A2201 -18.545 -10.888 -0.879 1.00 3.77 C HETATM 1459 O35 66S A2201 -18.218 -10.327 -1.911 1.00 4.48 O HETATM 1460 N36 66S A2201 -17.883 -11.956 -0.408 1.00 3.99 N HETATM 1461 C37 66S A2201 -16.593 -12.395 -0.951 1.00 4.65 C HETATM 1462 C38 66S A2201 -15.435 -11.494 -0.469 1.00 5.05 C HETATM 1463 C39 66S A2201 -14.130 -12.244 -0.523 1.00 5.31 C HETATM 1464 O40 66S A2201 -13.968 -13.252 -1.194 1.00 6.12 O HETATM 1465 N41 66S A2201 -13.144 -11.730 0.218 1.00 4.83 N HETATM 1466 C42 66S A2201 -11.946 -11.136 -0.372 1.00 4.77 C HETATM 1467 C43 66S A2201 -10.717 -11.373 0.507 1.00 4.00 C HETATM 1468 S1 66S A2201 -11.144 -11.418 2.264 1.00 3.68 S HETATM 1469 C1 66S A2201 -10.677 -9.795 2.749 1.00 3.22 C HETATM 1470 O1 66S A2201 -9.726 -9.209 2.252 1.00 3.95 O HETATM 1471 C2 66S A2201 -11.549 -9.198 3.826 1.00 2.52 C HETATM 1472 C3 66S A2201 -10.727 -8.281 4.738 1.00 2.11 C HETATM 1473 C4 66S A2201 -11.191 -6.824 4.602 1.00 1.89 C HETATM 1474 C5 66S A2201 -12.627 -6.663 5.130 1.00 1.41 C HETATM 1475 C6 66S A2201 -12.723 -5.436 6.047 1.00 1.16 C HETATM 1476 C7 66S A2201 -13.899 -4.550 5.620 1.00 1.33 C HETATM 1477 C8 66S A2201 -13.494 -3.676 4.429 1.00 1.42 C