USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=23 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= -0.216 K(o=0.12,f=-0.91!) USER MOD Set 1.2: A2126 HIS : no HD1:sc= 0.159 K(o=0.12,f=-1.6) USER MOD Set 1.3: A2130 GLN : amide:sc= 0.0691 K(o=0.12,f=-1.6!) USER MOD Set 1.4: A2133 HIS : no HD1:sc= 0.109 K(o=0.12,f=-2.7!) USER MOD Set 2.1: A2048 HIS : no HD1:sc= 0.627 K(o=-1.3,f=-4.2!) USER MOD Set 2.2: A2049 MET CE :methyl -141:sc= -1.91 (180deg=-3.83!) USER MOD Single : A2047 SER OG : rot 170:sc= 0 USER MOD Single : A2052 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A2055 SER OG : rot 180:sc= -0.0346 USER MOD Single : A2057 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2058 GLN : amide:sc= -0.264 K(o=-0.26,f=-0.8) USER MOD Single : A2059 GLN : amide:sc= -3.08! C(o=-3.1!,f=-7.2!) USER MOD Single : A2061 GLN : amide:sc= 0.066 K(o=0.066,f=-0.45) USER MOD Single : A2062 THR OG1 : rot 76:sc= 0.00206 USER MOD Single : A2065 THR OG1 : rot 76:sc= 0.534 USER MOD Single : A2071 THR OG1 : rot 152:sc= -0.664 USER MOD Single : A2073 THR OG1 : rot 64:sc= 1.26 USER MOD Single : A2077 HIS : no HD1:sc= 0.505 K(o=0.51,f=-5.9!) USER MOD Single : A2078 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-3.7!) USER MOD Single : A2079 THR OG1 : rot 180:sc= 0 USER MOD Single : A2082 SER OG : rot -44:sc= 0.354 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot -141:sc= -1.76! USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 174:sc= 1.02 USER MOD Single : A2104 ASN : amide:sc= -1.66! C(o=-1.7!,f=-1.7!) USER MOD Single : A2105 THR OG1 : rot 180:sc= 0 USER MOD Single : A2107 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A2108 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.26) USER MOD Single : A2109 ASN :FLIP amide:sc= -1.34 F(o=-2.6!,f=-1.3) USER MOD Single : A2110 THR OG1 : rot -82:sc= 1.12 USER MOD Single : A2117 THR OG1 : rot 94:sc= 1.24 USER MOD Single : A2122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2124 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A2129 THR OG1 : rot 59:sc= -0.297 USER MOD Single : A2131 HIS :FLIP no HD1:sc= 0 F(o=-0.85,f=0) USER MOD Single : A2134 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A2137 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A2138 GLN : amide:sc= -0.854 X(o=-0.85,f=-0.36) USER MOD Single : A2139 SER OG : rot -123:sc= 1.3 USER MOD Single : A2140 HIS : no HD1:sc= -0.0937 X(o=-0.094,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A2046 15.738 -6.036 -2.619 1.00 6.58 N ATOM 2 CA GLY A2046 14.686 -5.033 -2.317 1.00 6.00 C ATOM 3 C GLY A2046 13.952 -4.602 -3.566 1.00 4.95 C ATOM 4 O GLY A2046 13.520 -3.450 -3.679 1.00 5.03 O ATOM 0 HA2 GLY A2046 13.976 -5.453 -1.604 1.00 6.00 H new ATOM 0 HA3 GLY A2046 15.138 -4.163 -1.842 1.00 6.00 H new ATOM 10 N SER A2047 13.817 -5.538 -4.501 1.00 4.27 N ATOM 11 CA SER A2047 13.169 -5.294 -5.779 1.00 3.35 C ATOM 12 C SER A2047 13.888 -4.190 -6.565 1.00 3.13 C ATOM 13 O SER A2047 14.905 -4.445 -7.208 1.00 3.47 O ATOM 14 CB SER A2047 11.691 -4.956 -5.571 1.00 3.02 C ATOM 15 OG SER A2047 11.062 -5.920 -4.740 1.00 3.54 O ATOM 0 H SER A2047 14.158 -6.493 -4.389 1.00 4.27 H new ATOM 0 HA SER A2047 13.230 -6.206 -6.373 1.00 3.35 H new ATOM 0 HB2 SER A2047 11.600 -3.967 -5.121 1.00 3.02 H new ATOM 0 HB3 SER A2047 11.184 -4.915 -6.535 1.00 3.02 H new ATOM 0 HG SER A2047 10.169 -5.603 -4.489 1.00 3.54 H new ATOM 21 N HIS A2048 13.377 -2.966 -6.496 1.00 3.12 N ATOM 22 CA HIS A2048 13.953 -1.856 -7.250 1.00 3.29 C ATOM 23 C HIS A2048 14.145 -0.622 -6.373 1.00 2.68 C ATOM 24 O HIS A2048 14.531 0.439 -6.859 1.00 3.15 O ATOM 25 CB HIS A2048 13.065 -1.512 -8.456 1.00 4.29 C ATOM 26 CG HIS A2048 11.672 -1.058 -8.106 1.00 5.00 C ATOM 27 ND1 HIS A2048 11.235 0.234 -8.297 1.00 5.92 N ATOM 28 CD2 HIS A2048 10.605 -1.739 -7.617 1.00 5.21 C ATOM 29 CE1 HIS A2048 9.966 0.327 -7.951 1.00 6.67 C ATOM 30 NE2 HIS A2048 9.554 -0.858 -7.537 1.00 6.28 N ATOM 0 H HIS A2048 12.568 -2.716 -5.928 1.00 3.12 H new ATOM 0 HA HIS A2048 14.934 -2.172 -7.605 1.00 3.29 H new ATOM 0 HB2 HIS A2048 13.552 -0.728 -9.036 1.00 4.29 H new ATOM 0 HB3 HIS A2048 12.995 -2.389 -9.100 1.00 4.29 H new ATOM 0 HD2 HIS A2048 10.586 -2.783 -7.341 1.00 5.21 H new ATOM 0 HE1 HIS A2048 9.364 1.222 -7.998 1.00 6.67 H new ATOM 0 HE2 HIS A2048 8.613 -1.081 -7.212 1.00 6.28 H new ATOM 39 N MET A2049 13.907 -0.777 -5.079 1.00 2.16 N ATOM 40 CA MET A2049 13.812 0.367 -4.174 1.00 2.54 C ATOM 41 C MET A2049 15.155 1.011 -3.914 1.00 3.09 C ATOM 42 O MET A2049 15.387 2.167 -4.260 1.00 3.75 O ATOM 43 CB MET A2049 13.200 -0.063 -2.851 1.00 2.76 C ATOM 44 CG MET A2049 11.838 -0.703 -3.001 1.00 2.18 C ATOM 45 SD MET A2049 10.635 0.381 -3.786 1.00 2.91 S ATOM 46 CE MET A2049 9.256 -0.747 -3.925 1.00 2.37 C ATOM 0 H MET A2049 13.776 -1.683 -4.629 1.00 2.16 H new ATOM 0 HA MET A2049 13.176 1.105 -4.663 1.00 2.54 H new ATOM 0 HB2 MET A2049 13.872 -0.767 -2.360 1.00 2.76 H new ATOM 0 HB3 MET A2049 13.115 0.806 -2.198 1.00 2.76 H new ATOM 0 HG2 MET A2049 11.934 -1.616 -3.589 1.00 2.18 H new ATOM 0 HG3 MET A2049 11.469 -0.994 -2.018 1.00 2.18 H new ATOM 0 HE1 MET A2049 8.751 -0.589 -4.878 1.00 2.37 H new ATOM 0 HE2 MET A2049 9.619 -1.773 -3.873 1.00 2.37 H new ATOM 0 HE3 MET A2049 8.556 -0.568 -3.109 1.00 2.37 H new ATOM 56 N ARG A2050 16.033 0.244 -3.312 1.00 3.38 N ATOM 57 CA ARG A2050 17.337 0.743 -2.901 1.00 4.33 C ATOM 58 C ARG A2050 18.271 0.885 -4.088 1.00 4.19 C ATOM 59 O ARG A2050 19.422 1.301 -3.943 1.00 4.88 O ATOM 60 CB ARG A2050 17.957 -0.167 -1.858 1.00 5.36 C ATOM 61 CG ARG A2050 17.305 -0.037 -0.499 1.00 6.15 C ATOM 62 CD ARG A2050 18.204 -0.612 0.566 1.00 6.73 C ATOM 63 NE ARG A2050 17.692 -0.381 1.914 1.00 7.76 N ATOM 64 CZ ARG A2050 17.517 -1.337 2.826 1.00 8.52 C ATOM 65 NH1 ARG A2050 17.736 -2.614 2.520 1.00 8.48 N ATOM 66 NH2 ARG A2050 17.109 -1.018 4.045 1.00 9.54 N ATOM 0 H ARG A2050 15.871 -0.739 -3.091 1.00 3.38 H new ATOM 0 HA ARG A2050 17.188 1.730 -2.463 1.00 4.33 H new ATOM 0 HB2 ARG A2050 17.881 -1.201 -2.194 1.00 5.36 H new ATOM 0 HB3 ARG A2050 19.019 0.062 -1.769 1.00 5.36 H new ATOM 0 HG2 ARG A2050 17.100 1.012 -0.285 1.00 6.15 H new ATOM 0 HG3 ARG A2050 16.347 -0.556 -0.496 1.00 6.15 H new ATOM 0 HD2 ARG A2050 18.317 -1.684 0.402 1.00 6.73 H new ATOM 0 HD3 ARG A2050 19.196 -0.170 0.477 1.00 6.73 H new ATOM 0 HE ARG A2050 17.452 0.576 2.175 1.00 7.76 H new ATOM 0 HH11 ARG A2050 18.041 -2.868 1.580 1.00 8.48 H new ATOM 0 HH12 ARG A2050 17.599 -3.338 3.225 1.00 8.48 H new ATOM 0 HH21 ARG A2050 16.930 -0.043 4.284 1.00 9.54 H new ATOM 0 HH22 ARG A2050 16.974 -1.748 4.745 1.00 9.54 H new ATOM 80 N LEU A2051 17.777 0.533 -5.262 1.00 3.64 N ATOM 81 CA LEU A2051 18.574 0.620 -6.463 1.00 3.84 C ATOM 82 C LEU A2051 18.242 1.888 -7.235 1.00 3.17 C ATOM 83 O LEU A2051 19.128 2.679 -7.557 1.00 3.42 O ATOM 84 CB LEU A2051 18.333 -0.606 -7.348 1.00 4.74 C ATOM 85 CG LEU A2051 18.662 -1.951 -6.701 1.00 5.66 C ATOM 86 CD1 LEU A2051 18.403 -3.089 -7.676 1.00 6.21 C ATOM 87 CD2 LEU A2051 20.105 -1.974 -6.224 1.00 6.31 C ATOM 0 H LEU A2051 16.829 0.185 -5.405 1.00 3.64 H new ATOM 0 HA LEU A2051 19.625 0.651 -6.175 1.00 3.84 H new ATOM 0 HB2 LEU A2051 17.287 -0.614 -7.653 1.00 4.74 H new ATOM 0 HB3 LEU A2051 18.928 -0.502 -8.255 1.00 4.74 H new ATOM 0 HG LEU A2051 18.012 -2.085 -5.836 1.00 5.66 H new ATOM 0 HD11 LEU A2051 18.643 -4.039 -7.198 1.00 6.21 H new ATOM 0 HD12 LEU A2051 17.353 -3.085 -7.969 1.00 6.21 H new ATOM 0 HD13 LEU A2051 19.027 -2.960 -8.560 1.00 6.21 H new ATOM 0 HD21 LEU A2051 20.321 -2.939 -5.766 1.00 6.31 H new ATOM 0 HD22 LEU A2051 20.771 -1.817 -7.072 1.00 6.31 H new ATOM 0 HD23 LEU A2051 20.259 -1.182 -5.491 1.00 6.31 H new ATOM 99 N ASN A2052 16.967 2.086 -7.536 1.00 2.84 N ATOM 100 CA ASN A2052 16.558 3.271 -8.272 1.00 3.03 C ATOM 101 C ASN A2052 16.070 4.387 -7.352 1.00 2.88 C ATOM 102 O ASN A2052 15.021 4.258 -6.723 1.00 2.92 O ATOM 103 CB ASN A2052 15.463 2.913 -9.277 1.00 3.65 C ATOM 104 CG ASN A2052 14.979 4.117 -10.063 1.00 4.17 C ATOM 105 OD1 ASN A2052 15.742 5.041 -10.352 1.00 4.47 O ATOM 106 ND2 ASN A2052 13.704 4.119 -10.407 1.00 4.71 N ATOM 0 H ASN A2052 16.209 1.451 -7.286 1.00 2.84 H new ATOM 0 HA ASN A2052 17.437 3.642 -8.798 1.00 3.03 H new ATOM 0 HB2 ASN A2052 15.841 2.160 -9.968 1.00 3.65 H new ATOM 0 HB3 ASN A2052 14.621 2.466 -8.748 1.00 3.65 H new ATOM 0 HD21 ASN A2052 13.318 4.905 -10.931 1.00 4.71 H new ATOM 0 HD22 ASN A2052 13.105 3.335 -10.149 1.00 4.71 H new ATOM 113 N GLY A2053 16.828 5.483 -7.327 1.00 3.23 N ATOM 114 CA GLY A2053 16.370 6.770 -6.799 1.00 3.43 C ATOM 115 C GLY A2053 16.012 6.839 -5.312 1.00 2.89 C ATOM 116 O GLY A2053 16.200 7.886 -4.689 1.00 2.97 O ATOM 0 H GLY A2053 17.786 5.504 -7.676 1.00 3.23 H new ATOM 0 HA2 GLY A2053 17.148 7.508 -6.992 1.00 3.43 H new ATOM 0 HA3 GLY A2053 15.493 7.075 -7.370 1.00 3.43 H new ATOM 120 N LEU A2054 15.502 5.769 -4.729 1.00 2.44 N ATOM 121 CA LEU A2054 14.965 5.846 -3.383 1.00 2.06 C ATOM 122 C LEU A2054 15.970 5.474 -2.310 1.00 1.93 C ATOM 123 O LEU A2054 16.739 4.519 -2.442 1.00 2.10 O ATOM 124 CB LEU A2054 13.745 4.950 -3.249 1.00 1.96 C ATOM 125 CG LEU A2054 12.579 5.297 -4.165 1.00 2.68 C ATOM 126 CD1 LEU A2054 11.471 4.289 -3.972 1.00 3.19 C ATOM 127 CD2 LEU A2054 12.075 6.707 -3.894 1.00 3.31 C ATOM 0 H LEU A2054 15.448 4.846 -5.161 1.00 2.44 H new ATOM 0 HA LEU A2054 14.695 6.890 -3.228 1.00 2.06 H new ATOM 0 HB2 LEU A2054 14.047 3.921 -3.446 1.00 1.96 H new ATOM 0 HB3 LEU A2054 13.398 4.988 -2.216 1.00 1.96 H new ATOM 0 HG LEU A2054 12.920 5.261 -5.200 1.00 2.68 H new ATOM 0 HD11 LEU A2054 10.636 4.536 -4.627 1.00 3.19 H new ATOM 0 HD12 LEU A2054 11.840 3.292 -4.215 1.00 3.19 H new ATOM 0 HD13 LEU A2054 11.137 4.310 -2.935 1.00 3.19 H new ATOM 0 HD21 LEU A2054 11.242 6.930 -4.561 1.00 3.31 H new ATOM 0 HD22 LEU A2054 11.741 6.781 -2.859 1.00 3.31 H new ATOM 0 HD23 LEU A2054 12.880 7.421 -4.067 1.00 3.31 H new ATOM 139 N SER A2055 15.957 6.269 -1.259 1.00 1.75 N ATOM 140 CA SER A2055 16.585 5.920 -0.005 1.00 1.71 C ATOM 141 C SER A2055 15.488 5.431 0.942 1.00 1.44 C ATOM 142 O SER A2055 14.308 5.571 0.610 1.00 1.25 O ATOM 143 CB SER A2055 17.300 7.147 0.565 1.00 1.78 C ATOM 144 OG SER A2055 16.412 8.251 0.656 1.00 2.08 O ATOM 0 H SER A2055 15.505 7.184 -1.254 1.00 1.75 H new ATOM 0 HA SER A2055 17.328 5.134 -0.140 1.00 1.71 H new ATOM 0 HB2 SER A2055 17.700 6.914 1.552 1.00 1.78 H new ATOM 0 HB3 SER A2055 18.147 7.407 -0.070 1.00 1.78 H new ATOM 0 HG SER A2055 16.888 9.024 1.024 1.00 2.08 H new ATOM 150 N PRO A2056 15.821 4.843 2.106 1.00 1.48 N ATOM 151 CA PRO A2056 14.810 4.382 3.069 1.00 1.29 C ATOM 152 C PRO A2056 13.715 5.420 3.334 1.00 1.09 C ATOM 153 O PRO A2056 12.530 5.079 3.403 1.00 0.87 O ATOM 154 CB PRO A2056 15.629 4.123 4.331 1.00 1.53 C ATOM 155 CG PRO A2056 16.974 3.739 3.822 1.00 1.78 C ATOM 156 CD PRO A2056 17.193 4.544 2.569 1.00 1.78 C ATOM 0 HA PRO A2056 14.269 3.509 2.703 1.00 1.29 H new ATOM 0 HB2 PRO A2056 15.680 5.011 4.961 1.00 1.53 H new ATOM 0 HB3 PRO A2056 15.190 3.329 4.934 1.00 1.53 H new ATOM 0 HG2 PRO A2056 17.746 3.952 4.562 1.00 1.78 H new ATOM 0 HG3 PRO A2056 17.020 2.671 3.612 1.00 1.78 H new ATOM 0 HD2 PRO A2056 17.756 5.455 2.771 1.00 1.78 H new ATOM 0 HD3 PRO A2056 17.754 3.981 1.823 1.00 1.78 H new ATOM 164 N GLN A2057 14.109 6.683 3.454 1.00 1.22 N ATOM 165 CA GLN A2057 13.158 7.758 3.717 1.00 1.17 C ATOM 166 C GLN A2057 12.291 8.042 2.493 1.00 1.01 C ATOM 167 O GLN A2057 11.086 8.258 2.618 1.00 0.95 O ATOM 168 CB GLN A2057 13.885 9.025 4.151 1.00 1.44 C ATOM 169 CG GLN A2057 14.620 8.877 5.472 1.00 1.66 C ATOM 170 CD GLN A2057 15.359 10.138 5.872 1.00 2.02 C ATOM 171 OE1 GLN A2057 16.525 10.320 5.530 1.00 2.32 O ATOM 172 NE2 GLN A2057 14.685 11.018 6.597 1.00 2.40 N ATOM 0 H GLN A2057 15.079 6.988 3.374 1.00 1.22 H new ATOM 0 HA GLN A2057 12.506 7.432 4.527 1.00 1.17 H new ATOM 0 HB2 GLN A2057 14.598 9.309 3.377 1.00 1.44 H new ATOM 0 HB3 GLN A2057 13.164 9.838 4.234 1.00 1.44 H new ATOM 0 HG2 GLN A2057 13.906 8.615 6.253 1.00 1.66 H new ATOM 0 HG3 GLN A2057 15.329 8.052 5.399 1.00 1.66 H new ATOM 0 HE21 GLN A2057 13.718 10.828 6.860 1.00 2.40 H new ATOM 0 HE22 GLN A2057 15.133 11.885 6.892 1.00 2.40 H new ATOM 181 N GLN A2058 12.905 8.029 1.314 1.00 1.07 N ATOM 182 CA GLN A2058 12.184 8.289 0.070 1.00 1.08 C ATOM 183 C GLN A2058 11.200 7.168 -0.237 1.00 0.89 C ATOM 184 O GLN A2058 10.134 7.401 -0.810 1.00 0.84 O ATOM 185 CB GLN A2058 13.165 8.461 -1.089 1.00 1.36 C ATOM 186 CG GLN A2058 13.962 9.748 -1.013 1.00 1.58 C ATOM 187 CD GLN A2058 13.070 10.974 -1.046 1.00 1.86 C ATOM 188 OE1 GLN A2058 12.014 10.970 -1.680 1.00 2.40 O ATOM 189 NE2 GLN A2058 13.474 12.022 -0.350 1.00 2.23 N ATOM 0 H GLN A2058 13.900 7.841 1.193 1.00 1.07 H new ATOM 0 HA GLN A2058 11.620 9.213 0.195 1.00 1.08 H new ATOM 0 HB2 GLN A2058 13.853 7.616 -1.102 1.00 1.36 H new ATOM 0 HB3 GLN A2058 12.614 8.438 -2.029 1.00 1.36 H new ATOM 0 HG2 GLN A2058 14.553 9.755 -0.097 1.00 1.58 H new ATOM 0 HG3 GLN A2058 14.664 9.789 -1.846 1.00 1.58 H new ATOM 0 HE21 GLN A2058 14.355 11.985 0.162 1.00 2.23 H new ATOM 0 HE22 GLN A2058 12.904 12.868 -0.325 1.00 2.23 H new ATOM 198 N GLN A2059 11.573 5.951 0.138 1.00 0.87 N ATOM 199 CA GLN A2059 10.696 4.799 0.008 1.00 0.75 C ATOM 200 C GLN A2059 9.333 5.075 0.635 1.00 0.58 C ATOM 201 O GLN A2059 8.312 4.949 -0.031 1.00 0.54 O ATOM 202 CB GLN A2059 11.330 3.570 0.657 1.00 0.80 C ATOM 203 CG GLN A2059 12.551 3.047 -0.078 1.00 1.17 C ATOM 204 CD GLN A2059 13.142 1.830 0.603 1.00 1.86 C ATOM 205 OE1 GLN A2059 14.013 1.946 1.460 1.00 2.83 O ATOM 206 NE2 GLN A2059 12.660 0.654 0.240 1.00 1.87 N ATOM 0 H GLN A2059 12.487 5.737 0.538 1.00 0.87 H new ATOM 0 HA GLN A2059 10.553 4.605 -1.055 1.00 0.75 H new ATOM 0 HB2 GLN A2059 11.612 3.817 1.681 1.00 0.80 H new ATOM 0 HB3 GLN A2059 10.585 2.776 0.714 1.00 0.80 H new ATOM 0 HG2 GLN A2059 12.277 2.793 -1.102 1.00 1.17 H new ATOM 0 HG3 GLN A2059 13.304 3.833 -0.135 1.00 1.17 H new ATOM 0 HE21 GLN A2059 11.936 0.599 -0.476 1.00 1.87 H new ATOM 0 HE22 GLN A2059 13.012 -0.198 0.676 1.00 1.87 H new ATOM 215 N GLN A2060 9.317 5.468 1.910 1.00 0.54 N ATOM 216 CA GLN A2060 8.062 5.742 2.605 1.00 0.45 C ATOM 217 C GLN A2060 7.229 6.790 1.882 1.00 0.44 C ATOM 218 O GLN A2060 6.013 6.684 1.844 1.00 0.42 O ATOM 219 CB GLN A2060 8.305 6.191 4.044 1.00 0.55 C ATOM 220 CG GLN A2060 8.840 5.091 4.937 1.00 0.57 C ATOM 221 CD GLN A2060 8.625 5.383 6.412 1.00 0.81 C ATOM 222 OE1 GLN A2060 7.645 6.024 6.793 1.00 1.38 O ATOM 223 NE2 GLN A2060 9.543 4.934 7.252 1.00 1.01 N ATOM 0 H GLN A2060 10.154 5.602 2.477 1.00 0.54 H new ATOM 0 HA GLN A2060 7.507 4.804 2.615 1.00 0.45 H new ATOM 0 HB2 GLN A2060 9.010 7.022 4.043 1.00 0.55 H new ATOM 0 HB3 GLN A2060 7.371 6.566 4.462 1.00 0.55 H new ATOM 0 HG2 GLN A2060 8.352 4.150 4.681 1.00 0.57 H new ATOM 0 HG3 GLN A2060 9.905 4.959 4.747 1.00 0.57 H new ATOM 0 HE21 GLN A2060 10.342 4.406 6.900 1.00 1.01 H new ATOM 0 HE22 GLN A2060 9.452 5.115 8.252 1.00 1.01 H new ATOM 232 N GLN A2061 7.881 7.789 1.302 1.00 0.58 N ATOM 233 CA GLN A2061 7.168 8.833 0.567 1.00 0.61 C ATOM 234 C GLN A2061 6.440 8.220 -0.614 1.00 0.51 C ATOM 235 O GLN A2061 5.236 8.420 -0.805 1.00 0.45 O ATOM 236 CB GLN A2061 8.148 9.888 0.062 1.00 0.83 C ATOM 237 CG GLN A2061 9.188 10.281 1.087 1.00 0.89 C ATOM 238 CD GLN A2061 8.583 10.874 2.342 1.00 1.29 C ATOM 239 OE1 GLN A2061 7.535 11.518 2.300 1.00 1.75 O ATOM 240 NE2 GLN A2061 9.237 10.651 3.470 1.00 1.97 N ATOM 0 H GLN A2061 8.895 7.901 1.324 1.00 0.58 H new ATOM 0 HA GLN A2061 6.450 9.305 1.238 1.00 0.61 H new ATOM 0 HB2 GLN A2061 8.651 9.510 -0.828 1.00 0.83 H new ATOM 0 HB3 GLN A2061 7.592 10.776 -0.239 1.00 0.83 H new ATOM 0 HG2 GLN A2061 9.778 9.404 1.353 1.00 0.89 H new ATOM 0 HG3 GLN A2061 9.873 11.003 0.644 1.00 0.89 H new ATOM 0 HE21 GLN A2061 10.103 10.112 3.460 1.00 1.97 H new ATOM 0 HE22 GLN A2061 8.876 11.018 4.350 1.00 1.97 H new ATOM 249 N THR A2062 7.196 7.468 -1.396 1.00 0.53 N ATOM 250 CA THR A2062 6.654 6.719 -2.514 1.00 0.50 C ATOM 251 C THR A2062 5.495 5.829 -2.070 1.00 0.39 C ATOM 252 O THR A2062 4.382 5.960 -2.569 1.00 0.42 O ATOM 253 CB THR A2062 7.751 5.863 -3.170 1.00 0.59 C ATOM 254 OG1 THR A2062 8.759 6.716 -3.730 1.00 0.74 O ATOM 255 CG2 THR A2062 7.176 4.961 -4.251 1.00 0.83 C ATOM 0 H THR A2062 8.203 7.360 -1.273 1.00 0.53 H new ATOM 0 HA THR A2062 6.277 7.435 -3.244 1.00 0.50 H new ATOM 0 HB THR A2062 8.193 5.228 -2.402 1.00 0.59 H new ATOM 0 HG1 THR A2062 9.328 7.065 -3.012 1.00 0.74 H new ATOM 0 HG21 THR A2062 7.977 4.369 -4.695 1.00 0.83 H new ATOM 0 HG22 THR A2062 6.433 4.295 -3.812 1.00 0.83 H new ATOM 0 HG23 THR A2062 6.706 5.571 -5.022 1.00 0.83 H new ATOM 263 N LEU A2063 5.762 4.940 -1.123 1.00 0.37 N ATOM 264 CA LEU A2063 4.769 4.017 -0.606 1.00 0.29 C ATOM 265 C LEU A2063 3.540 4.727 -0.036 1.00 0.22 C ATOM 266 O LEU A2063 2.417 4.261 -0.224 1.00 0.21 O ATOM 267 CB LEU A2063 5.420 3.140 0.456 1.00 0.30 C ATOM 268 CG LEU A2063 6.248 1.972 -0.086 1.00 0.53 C ATOM 269 CD1 LEU A2063 7.294 2.425 -1.095 1.00 0.92 C ATOM 270 CD2 LEU A2063 6.908 1.228 1.063 1.00 0.79 C ATOM 0 H LEU A2063 6.681 4.841 -0.691 1.00 0.37 H new ATOM 0 HA LEU A2063 4.411 3.407 -1.435 1.00 0.29 H new ATOM 0 HB2 LEU A2063 6.063 3.764 1.076 1.00 0.30 H new ATOM 0 HB3 LEU A2063 4.640 2.742 1.105 1.00 0.30 H new ATOM 0 HG LEU A2063 5.567 1.302 -0.611 1.00 0.53 H new ATOM 0 HD11 LEU A2063 7.855 1.561 -1.450 1.00 0.92 H new ATOM 0 HD12 LEU A2063 6.801 2.909 -1.938 1.00 0.92 H new ATOM 0 HD13 LEU A2063 7.976 3.130 -0.620 1.00 0.92 H new ATOM 0 HD21 LEU A2063 7.495 0.398 0.670 1.00 0.79 H new ATOM 0 HD22 LEU A2063 7.561 1.908 1.609 1.00 0.79 H new ATOM 0 HD23 LEU A2063 6.141 0.843 1.735 1.00 0.79 H new ATOM 282 N ALA A2064 3.751 5.850 0.645 1.00 0.25 N ATOM 283 CA ALA A2064 2.654 6.616 1.233 1.00 0.27 C ATOM 284 C ALA A2064 1.732 7.169 0.155 1.00 0.25 C ATOM 285 O ALA A2064 0.531 7.341 0.372 1.00 0.30 O ATOM 286 CB ALA A2064 3.192 7.750 2.092 1.00 0.37 C ATOM 0 H ALA A2064 4.675 6.252 0.804 1.00 0.25 H new ATOM 0 HA ALA A2064 2.077 5.940 1.864 1.00 0.27 H new ATOM 0 HB1 ALA A2064 2.360 8.308 2.521 1.00 0.37 H new ATOM 0 HB2 ALA A2064 3.805 7.339 2.894 1.00 0.37 H new ATOM 0 HB3 ALA A2064 3.797 8.416 1.477 1.00 0.37 H new ATOM 292 N THR A2065 2.299 7.436 -1.009 1.00 0.24 N ATOM 293 CA THR A2065 1.529 7.947 -2.123 1.00 0.27 C ATOM 294 C THR A2065 1.010 6.783 -2.959 1.00 0.24 C ATOM 295 O THR A2065 -0.083 6.840 -3.515 1.00 0.29 O ATOM 296 CB THR A2065 2.376 8.894 -2.986 1.00 0.35 C ATOM 297 OG1 THR A2065 3.010 9.870 -2.145 1.00 0.40 O ATOM 298 CG2 THR A2065 1.519 9.601 -4.024 1.00 0.42 C ATOM 0 H THR A2065 3.292 7.306 -1.204 1.00 0.24 H new ATOM 0 HA THR A2065 0.684 8.516 -1.735 1.00 0.27 H new ATOM 0 HB THR A2065 3.130 8.303 -3.506 1.00 0.35 H new ATOM 0 HG1 THR A2065 3.768 9.458 -1.680 1.00 0.40 H new ATOM 0 HG21 THR A2065 2.144 10.265 -4.621 1.00 0.42 H new ATOM 0 HG22 THR A2065 1.051 8.862 -4.674 1.00 0.42 H new ATOM 0 HG23 THR A2065 0.747 10.184 -3.522 1.00 0.42 H new ATOM 306 N LEU A2066 1.808 5.722 -3.015 1.00 0.21 N ATOM 307 CA LEU A2066 1.431 4.482 -3.678 1.00 0.21 C ATOM 308 C LEU A2066 0.116 3.961 -3.145 1.00 0.18 C ATOM 309 O LEU A2066 -0.843 3.816 -3.884 1.00 0.20 O ATOM 310 CB LEU A2066 2.507 3.421 -3.456 1.00 0.24 C ATOM 311 CG LEU A2066 2.084 1.979 -3.760 1.00 0.30 C ATOM 312 CD1 LEU A2066 1.622 1.838 -5.204 1.00 0.37 C ATOM 313 CD2 LEU A2066 3.225 1.022 -3.457 1.00 0.36 C ATOM 0 H LEU A2066 2.739 5.700 -2.599 1.00 0.21 H new ATOM 0 HA LEU A2066 1.327 4.691 -4.743 1.00 0.21 H new ATOM 0 HB2 LEU A2066 3.369 3.667 -4.076 1.00 0.24 H new ATOM 0 HB3 LEU A2066 2.836 3.474 -2.418 1.00 0.24 H new ATOM 0 HG LEU A2066 1.241 1.725 -3.118 1.00 0.30 H new ATOM 0 HD11 LEU A2066 1.328 0.806 -5.393 1.00 0.37 H new ATOM 0 HD12 LEU A2066 0.771 2.496 -5.380 1.00 0.37 H new ATOM 0 HD13 LEU A2066 2.436 2.112 -5.875 1.00 0.37 H new ATOM 0 HD21 LEU A2066 2.912 0.001 -3.677 1.00 0.36 H new ATOM 0 HD22 LEU A2066 4.087 1.278 -4.072 1.00 0.36 H new ATOM 0 HD23 LEU A2066 3.495 1.100 -2.404 1.00 0.36 H new ATOM 325 N VAL A2067 0.097 3.672 -1.857 1.00 0.17 N ATOM 326 CA VAL A2067 -1.085 3.122 -1.207 1.00 0.18 C ATOM 327 C VAL A2067 -2.315 3.999 -1.443 1.00 0.19 C ATOM 328 O VAL A2067 -3.408 3.498 -1.708 1.00 0.22 O ATOM 329 CB VAL A2067 -0.849 2.920 0.300 1.00 0.21 C ATOM 330 CG1 VAL A2067 -0.446 4.220 0.981 1.00 0.51 C ATOM 331 CG2 VAL A2067 -2.085 2.334 0.947 1.00 0.64 C ATOM 0 H VAL A2067 0.892 3.809 -1.233 1.00 0.17 H new ATOM 0 HA VAL A2067 -1.275 2.148 -1.657 1.00 0.18 H new ATOM 0 HB VAL A2067 -0.023 2.219 0.422 1.00 0.21 H new ATOM 0 HG11 VAL A2067 -0.288 4.040 2.044 1.00 0.51 H new ATOM 0 HG12 VAL A2067 0.476 4.594 0.535 1.00 0.51 H new ATOM 0 HG13 VAL A2067 -1.237 4.959 0.852 1.00 0.51 H new ATOM 0 HG21 VAL A2067 -1.907 2.195 2.013 1.00 0.64 H new ATOM 0 HG22 VAL A2067 -2.926 3.012 0.805 1.00 0.64 H new ATOM 0 HG23 VAL A2067 -2.314 1.372 0.489 1.00 0.64 H new ATOM 341 N ALA A2068 -2.122 5.305 -1.363 1.00 0.19 N ATOM 342 CA ALA A2068 -3.183 6.251 -1.653 1.00 0.23 C ATOM 343 C ALA A2068 -3.615 6.152 -3.112 1.00 0.23 C ATOM 344 O ALA A2068 -4.797 5.996 -3.405 1.00 0.29 O ATOM 345 CB ALA A2068 -2.729 7.659 -1.329 1.00 0.27 C ATOM 0 H ALA A2068 -1.235 5.734 -1.098 1.00 0.19 H new ATOM 0 HA ALA A2068 -4.043 6.006 -1.029 1.00 0.23 H new ATOM 0 HB1 ALA A2068 -3.533 8.361 -1.551 1.00 0.27 H new ATOM 0 HB2 ALA A2068 -2.472 7.724 -0.272 1.00 0.27 H new ATOM 0 HB3 ALA A2068 -1.855 7.907 -1.931 1.00 0.27 H new ATOM 351 N ALA A2069 -2.653 6.227 -4.025 1.00 0.20 N ATOM 352 CA ALA A2069 -2.944 6.133 -5.449 1.00 0.22 C ATOM 353 C ALA A2069 -3.552 4.786 -5.781 1.00 0.23 C ATOM 354 O ALA A2069 -4.381 4.673 -6.678 1.00 0.29 O ATOM 355 CB ALA A2069 -1.688 6.379 -6.267 1.00 0.25 C ATOM 0 H ALA A2069 -1.665 6.353 -3.803 1.00 0.20 H new ATOM 0 HA ALA A2069 -3.671 6.904 -5.705 1.00 0.22 H new ATOM 0 HB1 ALA A2069 -1.925 6.305 -7.328 1.00 0.25 H new ATOM 0 HB2 ALA A2069 -1.302 7.375 -6.050 1.00 0.25 H new ATOM 0 HB3 ALA A2069 -0.935 5.634 -6.010 1.00 0.25 H new ATOM 361 N ALA A2070 -3.146 3.774 -5.039 1.00 0.21 N ATOM 362 CA ALA A2070 -3.710 2.454 -5.178 1.00 0.24 C ATOM 363 C ALA A2070 -5.187 2.483 -4.819 1.00 0.26 C ATOM 364 O ALA A2070 -6.039 2.226 -5.663 1.00 0.34 O ATOM 365 CB ALA A2070 -2.966 1.461 -4.305 1.00 0.25 C ATOM 0 H ALA A2070 -2.419 3.847 -4.327 1.00 0.21 H new ATOM 0 HA ALA A2070 -3.607 2.134 -6.215 1.00 0.24 H new ATOM 0 HB1 ALA A2070 -3.406 0.471 -4.424 1.00 0.25 H new ATOM 0 HB2 ALA A2070 -1.918 1.430 -4.602 1.00 0.25 H new ATOM 0 HB3 ALA A2070 -3.039 1.768 -3.262 1.00 0.25 H new ATOM 371 N THR A2071 -5.487 2.877 -3.583 1.00 0.24 N ATOM 372 CA THR A2071 -6.850 2.819 -3.075 1.00 0.28 C ATOM 373 C THR A2071 -7.750 3.792 -3.818 1.00 0.31 C ATOM 374 O THR A2071 -8.941 3.534 -4.014 1.00 0.37 O ATOM 375 CB THR A2071 -6.895 3.102 -1.557 1.00 0.30 C ATOM 376 OG1 THR A2071 -8.167 2.729 -1.019 1.00 0.38 O ATOM 377 CG2 THR A2071 -6.637 4.561 -1.241 1.00 0.29 C ATOM 0 H THR A2071 -4.803 3.239 -2.918 1.00 0.24 H new ATOM 0 HA THR A2071 -7.219 1.807 -3.245 1.00 0.28 H new ATOM 0 HB THR A2071 -6.104 2.507 -1.101 1.00 0.30 H new ATOM 0 HG1 THR A2071 -8.065 2.486 -0.075 1.00 0.38 H new ATOM 0 HG21 THR A2071 -6.678 4.713 -0.162 1.00 0.29 H new ATOM 0 HG22 THR A2071 -5.651 4.844 -1.610 1.00 0.29 H new ATOM 0 HG23 THR A2071 -7.396 5.177 -1.723 1.00 0.29 H new ATOM 385 N ALA A2072 -7.175 4.897 -4.250 1.00 0.31 N ATOM 386 CA ALA A2072 -7.922 5.888 -4.996 1.00 0.40 C ATOM 387 C ALA A2072 -8.192 5.417 -6.416 1.00 0.42 C ATOM 388 O ALA A2072 -9.075 5.936 -7.078 1.00 0.54 O ATOM 389 CB ALA A2072 -7.195 7.216 -5.012 1.00 0.47 C ATOM 0 H ALA A2072 -6.194 5.130 -4.097 1.00 0.31 H new ATOM 0 HA ALA A2072 -8.880 6.025 -4.494 1.00 0.40 H new ATOM 0 HB1 ALA A2072 -7.777 7.943 -5.579 1.00 0.47 H new ATOM 0 HB2 ALA A2072 -7.066 7.572 -3.990 1.00 0.47 H new ATOM 0 HB3 ALA A2072 -6.218 7.090 -5.479 1.00 0.47 H new ATOM 395 N THR A2073 -7.428 4.440 -6.877 1.00 0.36 N ATOM 396 CA THR A2073 -7.631 3.877 -8.206 1.00 0.40 C ATOM 397 C THR A2073 -8.609 2.704 -8.175 1.00 0.29 C ATOM 398 O THR A2073 -9.452 2.570 -9.066 1.00 0.34 O ATOM 399 CB THR A2073 -6.294 3.436 -8.838 1.00 0.49 C ATOM 400 OG1 THR A2073 -5.452 4.583 -9.027 1.00 0.60 O ATOM 401 CG2 THR A2073 -6.508 2.736 -10.172 1.00 0.58 C ATOM 0 H THR A2073 -6.661 4.019 -6.352 1.00 0.36 H new ATOM 0 HA THR A2073 -8.062 4.665 -8.823 1.00 0.40 H new ATOM 0 HB THR A2073 -5.818 2.728 -8.160 1.00 0.49 H new ATOM 0 HG1 THR A2073 -5.222 4.967 -8.155 1.00 0.60 H new ATOM 0 HG21 THR A2073 -5.544 2.440 -10.586 1.00 0.58 H new ATOM 0 HG22 THR A2073 -7.126 1.851 -10.023 1.00 0.58 H new ATOM 0 HG23 THR A2073 -7.007 3.415 -10.863 1.00 0.58 H new ATOM 409 N VAL A2074 -8.515 1.866 -7.144 1.00 0.20 N ATOM 410 CA VAL A2074 -9.424 0.724 -7.021 1.00 0.22 C ATOM 411 C VAL A2074 -10.846 1.238 -6.826 1.00 0.27 C ATOM 412 O VAL A2074 -11.810 0.669 -7.336 1.00 0.41 O ATOM 413 CB VAL A2074 -9.036 -0.250 -5.863 1.00 0.27 C ATOM 414 CG1 VAL A2074 -7.555 -0.210 -5.602 1.00 0.78 C ATOM 415 CG2 VAL A2074 -9.777 0.034 -4.572 1.00 0.72 C ATOM 0 H VAL A2074 -7.831 1.952 -6.392 1.00 0.20 H new ATOM 0 HA VAL A2074 -9.349 0.146 -7.942 1.00 0.22 H new ATOM 0 HB VAL A2074 -9.329 -1.244 -6.200 1.00 0.27 H new ATOM 0 HG11 VAL A2074 -7.310 -0.896 -4.792 1.00 0.78 H new ATOM 0 HG12 VAL A2074 -7.019 -0.506 -6.503 1.00 0.78 H new ATOM 0 HG13 VAL A2074 -7.262 0.802 -5.322 1.00 0.78 H new ATOM 0 HG21 VAL A2074 -9.462 -0.677 -3.808 1.00 0.72 H new ATOM 0 HG22 VAL A2074 -9.553 1.047 -4.239 1.00 0.72 H new ATOM 0 HG23 VAL A2074 -10.850 -0.064 -4.739 1.00 0.72 H new ATOM 425 N LEU A2075 -10.954 2.336 -6.086 1.00 0.27 N ATOM 426 CA LEU A2075 -12.236 2.986 -5.855 1.00 0.37 C ATOM 427 C LEU A2075 -12.529 4.046 -6.918 1.00 0.42 C ATOM 428 O LEU A2075 -13.673 4.193 -7.341 1.00 1.24 O ATOM 429 CB LEU A2075 -12.255 3.618 -4.460 1.00 0.44 C ATOM 430 CG LEU A2075 -11.903 2.659 -3.323 1.00 0.51 C ATOM 431 CD1 LEU A2075 -11.999 3.355 -1.979 1.00 0.89 C ATOM 432 CD2 LEU A2075 -12.807 1.442 -3.363 1.00 1.04 C ATOM 0 H LEU A2075 -10.163 2.796 -5.634 1.00 0.27 H new ATOM 0 HA LEU A2075 -13.015 2.227 -5.921 1.00 0.37 H new ATOM 0 HB2 LEU A2075 -11.554 4.453 -4.444 1.00 0.44 H new ATOM 0 HB3 LEU A2075 -13.247 4.031 -4.276 1.00 0.44 H new ATOM 0 HG LEU A2075 -10.872 2.330 -3.457 1.00 0.51 H new ATOM 0 HD11 LEU A2075 -11.744 2.652 -1.186 1.00 0.89 H new ATOM 0 HD12 LEU A2075 -11.306 4.196 -1.955 1.00 0.89 H new ATOM 0 HD13 LEU A2075 -13.016 3.718 -1.829 1.00 0.89 H new ATOM 0 HD21 LEU A2075 -12.545 0.767 -2.548 1.00 1.04 H new ATOM 0 HD22 LEU A2075 -13.845 1.756 -3.255 1.00 1.04 H new ATOM 0 HD23 LEU A2075 -12.681 0.926 -4.315 1.00 1.04 H new ATOM 444 N GLY A2076 -11.499 4.766 -7.353 1.00 1.16 N ATOM 445 CA GLY A2076 -11.681 5.823 -8.343 1.00 1.30 C ATOM 446 C GLY A2076 -12.619 6.906 -7.851 1.00 0.86 C ATOM 447 O GLY A2076 -13.807 6.891 -8.182 1.00 1.11 O ATOM 0 H GLY A2076 -10.537 4.639 -7.039 1.00 1.16 H new ATOM 0 HA2 GLY A2076 -10.714 6.264 -8.585 1.00 1.30 H new ATOM 0 HA3 GLY A2076 -12.075 5.393 -9.264 1.00 1.30 H new ATOM 451 N HIS A2077 -12.098 7.855 -7.071 1.00 0.88 N ATOM 452 CA HIS A2077 -12.970 8.821 -6.399 1.00 0.79 C ATOM 453 C HIS A2077 -12.213 9.938 -5.666 1.00 1.18 C ATOM 454 O HIS A2077 -12.842 10.822 -5.088 1.00 2.09 O ATOM 455 CB HIS A2077 -13.865 8.086 -5.385 1.00 1.03 C ATOM 456 CG HIS A2077 -13.124 7.491 -4.214 1.00 0.93 C ATOM 457 ND1 HIS A2077 -11.746 7.369 -4.162 1.00 1.17 N ATOM 458 CD2 HIS A2077 -13.581 7.006 -3.036 1.00 0.89 C ATOM 459 CE1 HIS A2077 -11.394 6.841 -3.006 1.00 1.04 C ATOM 460 NE2 HIS A2077 -12.487 6.613 -2.306 1.00 0.92 N ATOM 0 H HIS A2077 -11.101 7.975 -6.891 1.00 0.88 H new ATOM 0 HA HIS A2077 -13.558 9.296 -7.184 1.00 0.79 H new ATOM 0 HB2 HIS A2077 -14.614 8.783 -5.009 1.00 1.03 H new ATOM 0 HB3 HIS A2077 -14.401 7.290 -5.902 1.00 1.03 H new ATOM 0 HD2 HIS A2077 -14.614 6.940 -2.728 1.00 0.89 H new ATOM 0 HE1 HIS A2077 -10.383 6.631 -2.688 1.00 1.04 H new ATOM 0 HE2 HIS A2077 -12.516 6.209 -1.370 1.00 0.92 H new ATOM 469 N HIS A2078 -10.882 9.917 -5.670 1.00 1.15 N ATOM 470 CA HIS A2078 -10.137 10.829 -4.802 1.00 1.82 C ATOM 471 C HIS A2078 -8.688 10.991 -5.247 1.00 1.20 C ATOM 472 O HIS A2078 -8.059 10.041 -5.702 1.00 1.46 O ATOM 473 CB HIS A2078 -10.184 10.307 -3.359 1.00 2.98 C ATOM 474 CG HIS A2078 -9.763 11.303 -2.316 1.00 4.08 C ATOM 475 ND1 HIS A2078 -10.619 12.239 -1.778 1.00 5.04 N ATOM 476 CD2 HIS A2078 -8.576 11.486 -1.695 1.00 4.50 C ATOM 477 CE1 HIS A2078 -9.977 12.953 -0.875 1.00 5.96 C ATOM 478 NE2 HIS A2078 -8.735 12.517 -0.802 1.00 5.67 N ATOM 0 H HIS A2078 -10.310 9.299 -6.246 1.00 1.15 H new ATOM 0 HA HIS A2078 -10.607 11.810 -4.865 1.00 1.82 H new ATOM 0 HB2 HIS A2078 -11.200 9.979 -3.139 1.00 2.98 H new ATOM 0 HB3 HIS A2078 -9.542 9.429 -3.284 1.00 2.98 H new ATOM 0 HD2 HIS A2078 -7.670 10.925 -1.869 1.00 4.50 H new ATOM 0 HE1 HIS A2078 -10.398 13.760 -0.293 1.00 5.96 H new ATOM 0 HE2 HIS A2078 -8.012 12.885 -0.184 1.00 5.67 H new ATOM 487 N THR A2079 -8.180 12.210 -5.118 1.00 1.12 N ATOM 488 CA THR A2079 -6.773 12.495 -5.345 1.00 0.78 C ATOM 489 C THR A2079 -5.919 11.788 -4.295 1.00 0.67 C ATOM 490 O THR A2079 -6.052 12.047 -3.100 1.00 0.86 O ATOM 491 CB THR A2079 -6.503 14.008 -5.267 1.00 1.25 C ATOM 492 OG1 THR A2079 -7.348 14.702 -6.190 1.00 1.52 O ATOM 493 CG2 THR A2079 -5.046 14.319 -5.569 1.00 1.42 C ATOM 0 H THR A2079 -8.732 13.026 -4.854 1.00 1.12 H new ATOM 0 HA THR A2079 -6.513 12.134 -6.340 1.00 0.78 H new ATOM 0 HB THR A2079 -6.721 14.341 -4.252 1.00 1.25 H new ATOM 0 HG1 THR A2079 -7.172 15.665 -6.134 1.00 1.52 H new ATOM 0 HG21 THR A2079 -4.883 15.395 -5.507 1.00 1.42 H new ATOM 0 HG22 THR A2079 -4.408 13.813 -4.844 1.00 1.42 H new ATOM 0 HG23 THR A2079 -4.800 13.972 -6.573 1.00 1.42 H new ATOM 501 N PRO A2080 -5.023 10.892 -4.741 1.00 0.48 N ATOM 502 CA PRO A2080 -4.174 10.092 -3.846 1.00 0.48 C ATOM 503 C PRO A2080 -3.337 10.957 -2.919 1.00 0.69 C ATOM 504 O PRO A2080 -3.099 10.610 -1.766 1.00 0.70 O ATOM 505 CB PRO A2080 -3.264 9.337 -4.812 1.00 0.56 C ATOM 506 CG PRO A2080 -4.029 9.286 -6.086 1.00 0.56 C ATOM 507 CD PRO A2080 -4.758 10.587 -6.159 1.00 0.50 C ATOM 0 HA PRO A2080 -4.764 9.450 -3.192 1.00 0.48 H new ATOM 0 HB2 PRO A2080 -2.311 9.850 -4.942 1.00 0.56 H new ATOM 0 HB3 PRO A2080 -3.039 8.336 -4.444 1.00 0.56 H new ATOM 0 HG2 PRO A2080 -3.363 9.159 -6.940 1.00 0.56 H new ATOM 0 HG3 PRO A2080 -4.723 8.445 -6.095 1.00 0.56 H new ATOM 0 HD2 PRO A2080 -4.156 11.362 -6.634 1.00 0.50 H new ATOM 0 HD3 PRO A2080 -5.680 10.502 -6.734 1.00 0.50 H new ATOM 515 N GLU A2081 -2.915 12.097 -3.433 1.00 0.93 N ATOM 516 CA GLU A2081 -2.111 13.034 -2.696 1.00 1.22 C ATOM 517 C GLU A2081 -2.863 13.568 -1.474 1.00 1.21 C ATOM 518 O GLU A2081 -2.261 14.048 -0.514 1.00 1.32 O ATOM 519 CB GLU A2081 -1.741 14.166 -3.645 1.00 1.52 C ATOM 520 CG GLU A2081 -1.106 15.330 -2.956 1.00 2.12 C ATOM 521 CD GLU A2081 -0.660 16.409 -3.911 1.00 2.46 C ATOM 522 OE1 GLU A2081 0.536 16.442 -4.266 1.00 2.53 O ATOM 523 OE2 GLU A2081 -1.503 17.235 -4.313 1.00 2.96 O ATOM 0 H GLU A2081 -3.127 12.395 -4.385 1.00 0.93 H new ATOM 0 HA GLU A2081 -1.213 12.544 -2.320 1.00 1.22 H new ATOM 0 HB2 GLU A2081 -1.058 13.786 -4.405 1.00 1.52 H new ATOM 0 HB3 GLU A2081 -2.638 14.504 -4.163 1.00 1.52 H new ATOM 0 HG2 GLU A2081 -1.814 15.753 -2.243 1.00 2.12 H new ATOM 0 HG3 GLU A2081 -0.247 14.981 -2.383 1.00 2.12 H new ATOM 530 N SER A2082 -4.182 13.465 -1.507 1.00 1.13 N ATOM 531 CA SER A2082 -5.010 14.009 -0.450 1.00 1.23 C ATOM 532 C SER A2082 -5.657 12.889 0.374 1.00 0.99 C ATOM 533 O SER A2082 -6.665 13.101 1.052 1.00 1.06 O ATOM 534 CB SER A2082 -6.070 14.934 -1.060 1.00 1.44 C ATOM 535 OG SER A2082 -6.730 15.698 -0.065 1.00 1.70 O ATOM 0 H SER A2082 -4.700 13.008 -2.257 1.00 1.13 H new ATOM 0 HA SER A2082 -4.386 14.588 0.230 1.00 1.23 H new ATOM 0 HB2 SER A2082 -5.599 15.603 -1.780 1.00 1.44 H new ATOM 0 HB3 SER A2082 -6.801 14.339 -1.608 1.00 1.44 H new ATOM 0 HG SER A2082 -6.949 15.123 0.698 1.00 1.70 H new ATOM 541 N ILE A2083 -5.099 11.685 0.297 1.00 0.76 N ATOM 542 CA ILE A2083 -5.561 10.583 1.122 1.00 0.55 C ATOM 543 C ILE A2083 -4.842 10.584 2.463 1.00 0.43 C ATOM 544 O ILE A2083 -3.616 10.452 2.526 1.00 0.46 O ATOM 545 CB ILE A2083 -5.369 9.231 0.409 1.00 0.45 C ATOM 546 CG1 ILE A2083 -6.234 9.212 -0.853 1.00 0.58 C ATOM 547 CG2 ILE A2083 -5.710 8.071 1.337 1.00 0.42 C ATOM 548 CD1 ILE A2083 -6.424 7.845 -1.463 1.00 0.47 C ATOM 0 H ILE A2083 -4.328 11.451 -0.328 1.00 0.76 H new ATOM 0 HA ILE A2083 -6.628 10.721 1.297 1.00 0.55 H new ATOM 0 HB ILE A2083 -4.323 9.112 0.126 1.00 0.45 H new ATOM 0 HG12 ILE A2083 -7.213 9.628 -0.613 1.00 0.58 H new ATOM 0 HG13 ILE A2083 -5.783 9.868 -1.597 1.00 0.58 H new ATOM 0 HG21 ILE A2083 -5.566 7.128 0.809 1.00 0.42 H new ATOM 0 HG22 ILE A2083 -5.059 8.101 2.211 1.00 0.42 H new ATOM 0 HG23 ILE A2083 -6.749 8.153 1.656 1.00 0.42 H new ATOM 0 HD11 ILE A2083 -7.049 7.927 -2.352 1.00 0.47 H new ATOM 0 HD12 ILE A2083 -5.454 7.432 -1.739 1.00 0.47 H new ATOM 0 HD13 ILE A2083 -6.906 7.188 -0.740 1.00 0.47 H new ATOM 560 N SER A2084 -5.614 10.755 3.525 1.00 0.38 N ATOM 561 CA SER A2084 -5.071 10.844 4.868 1.00 0.32 C ATOM 562 C SER A2084 -4.507 9.498 5.321 1.00 0.29 C ATOM 563 O SER A2084 -5.142 8.456 5.160 1.00 0.31 O ATOM 564 CB SER A2084 -6.158 11.322 5.826 1.00 0.36 C ATOM 565 OG SER A2084 -6.706 12.560 5.398 1.00 0.42 O ATOM 0 H SER A2084 -6.630 10.835 3.479 1.00 0.38 H new ATOM 0 HA SER A2084 -4.251 11.562 4.869 1.00 0.32 H new ATOM 0 HB2 SER A2084 -6.948 10.573 5.888 1.00 0.36 H new ATOM 0 HB3 SER A2084 -5.742 11.431 6.828 1.00 0.36 H new ATOM 0 HG SER A2084 -7.402 12.845 6.027 1.00 0.42 H new ATOM 571 N PRO A2085 -3.301 9.521 5.906 1.00 0.29 N ATOM 572 CA PRO A2085 -2.544 8.312 6.265 1.00 0.28 C ATOM 573 C PRO A2085 -3.176 7.497 7.389 1.00 0.28 C ATOM 574 O PRO A2085 -3.018 6.277 7.443 1.00 0.33 O ATOM 575 CB PRO A2085 -1.203 8.870 6.738 1.00 0.32 C ATOM 576 CG PRO A2085 -1.524 10.240 7.214 1.00 0.36 C ATOM 577 CD PRO A2085 -2.565 10.747 6.264 1.00 0.36 C ATOM 0 HA PRO A2085 -2.490 7.625 5.421 1.00 0.28 H new ATOM 0 HB2 PRO A2085 -0.778 8.261 7.536 1.00 0.32 H new ATOM 0 HB3 PRO A2085 -0.473 8.891 5.929 1.00 0.32 H new ATOM 0 HG2 PRO A2085 -1.898 10.224 8.238 1.00 0.36 H new ATOM 0 HG3 PRO A2085 -0.640 10.877 7.207 1.00 0.36 H new ATOM 0 HD2 PRO A2085 -3.214 11.487 6.732 1.00 0.36 H new ATOM 0 HD3 PRO A2085 -2.119 11.221 5.390 1.00 0.36 H new ATOM 585 N ALA A2086 -3.871 8.174 8.290 1.00 0.30 N ATOM 586 CA ALA A2086 -4.401 7.524 9.485 1.00 0.36 C ATOM 587 C ALA A2086 -5.863 7.108 9.338 1.00 0.30 C ATOM 588 O ALA A2086 -6.522 6.787 10.329 1.00 0.28 O ATOM 589 CB ALA A2086 -4.246 8.447 10.681 1.00 0.47 C ATOM 0 H ALA A2086 -4.082 9.169 8.220 1.00 0.30 H new ATOM 0 HA ALA A2086 -3.825 6.611 9.634 1.00 0.36 H new ATOM 0 HB1 ALA A2086 -4.643 7.959 11.571 1.00 0.47 H new ATOM 0 HB2 ALA A2086 -3.190 8.674 10.831 1.00 0.47 H new ATOM 0 HB3 ALA A2086 -4.794 9.372 10.500 1.00 0.47 H new ATOM 595 N THR A2087 -6.375 7.110 8.120 1.00 0.32 N ATOM 596 CA THR A2087 -7.767 6.743 7.897 1.00 0.28 C ATOM 597 C THR A2087 -7.906 5.248 7.626 1.00 0.24 C ATOM 598 O THR A2087 -6.990 4.606 7.120 1.00 0.28 O ATOM 599 CB THR A2087 -8.368 7.511 6.710 1.00 0.32 C ATOM 600 OG1 THR A2087 -7.874 8.855 6.691 1.00 0.39 O ATOM 601 CG2 THR A2087 -9.886 7.535 6.793 1.00 0.34 C ATOM 0 H THR A2087 -5.857 7.358 7.277 1.00 0.32 H new ATOM 0 HA THR A2087 -8.307 7.003 8.807 1.00 0.28 H new ATOM 0 HB THR A2087 -8.073 7.000 5.794 1.00 0.32 H new ATOM 0 HG1 THR A2087 -8.596 9.465 6.432 1.00 0.39 H new ATOM 0 HG21 THR A2087 -10.288 8.084 5.942 1.00 0.34 H new ATOM 0 HG22 THR A2087 -10.267 6.514 6.779 1.00 0.34 H new ATOM 0 HG23 THR A2087 -10.192 8.024 7.718 1.00 0.34 H new ATOM 609 N ALA A2088 -9.062 4.712 7.961 1.00 0.23 N ATOM 610 CA ALA A2088 -9.373 3.316 7.700 1.00 0.25 C ATOM 611 C ALA A2088 -9.878 3.170 6.280 1.00 0.22 C ATOM 612 O ALA A2088 -10.648 3.997 5.801 1.00 0.25 O ATOM 613 CB ALA A2088 -10.418 2.813 8.682 1.00 0.32 C ATOM 0 H ALA A2088 -9.812 5.228 8.421 1.00 0.23 H new ATOM 0 HA ALA A2088 -8.469 2.720 7.825 1.00 0.25 H new ATOM 0 HB1 ALA A2088 -10.640 1.766 8.473 1.00 0.32 H new ATOM 0 HB2 ALA A2088 -10.037 2.907 9.699 1.00 0.32 H new ATOM 0 HB3 ALA A2088 -11.328 3.404 8.579 1.00 0.32 H new ATOM 619 N PHE A2089 -9.444 2.111 5.610 1.00 0.21 N ATOM 620 CA PHE A2089 -9.785 1.895 4.210 1.00 0.20 C ATOM 621 C PHE A2089 -11.286 1.764 3.998 1.00 0.24 C ATOM 622 O PHE A2089 -11.790 2.071 2.920 1.00 0.26 O ATOM 623 CB PHE A2089 -9.044 0.680 3.649 1.00 0.21 C ATOM 624 CG PHE A2089 -7.661 1.020 3.189 1.00 0.21 C ATOM 625 CD1 PHE A2089 -7.453 2.017 2.261 1.00 0.40 C ATOM 626 CD2 PHE A2089 -6.571 0.316 3.674 1.00 0.44 C ATOM 627 CE1 PHE A2089 -6.181 2.312 1.821 1.00 0.43 C ATOM 628 CE2 PHE A2089 -5.295 0.607 3.240 1.00 0.48 C ATOM 629 CZ PHE A2089 -5.103 1.689 2.364 1.00 0.34 C ATOM 0 H PHE A2089 -8.853 1.385 6.015 1.00 0.21 H new ATOM 0 HA PHE A2089 -9.461 2.779 3.661 1.00 0.20 H new ATOM 0 HB2 PHE A2089 -8.990 -0.095 4.414 1.00 0.21 H new ATOM 0 HB3 PHE A2089 -9.610 0.265 2.815 1.00 0.21 H new ATOM 0 HD1 PHE A2089 -8.295 2.572 1.875 1.00 0.40 H new ATOM 0 HD2 PHE A2089 -6.722 -0.469 4.400 1.00 0.44 H new ATOM 0 HE1 PHE A2089 -6.040 3.044 1.039 1.00 0.43 H new ATOM 0 HE2 PHE A2089 -4.456 0.012 3.568 1.00 0.48 H new ATOM 0 HZ PHE A2089 -4.104 2.023 2.124 1.00 0.34 H new ATOM 639 N LYS A2090 -12.005 1.343 5.026 1.00 0.30 N ATOM 640 CA LYS A2090 -13.443 1.263 4.954 1.00 0.40 C ATOM 641 C LYS A2090 -14.069 2.657 4.996 1.00 0.37 C ATOM 642 O LYS A2090 -15.213 2.849 4.590 1.00 0.47 O ATOM 643 CB LYS A2090 -13.954 0.331 6.049 1.00 0.55 C ATOM 644 CG LYS A2090 -15.046 0.904 6.894 1.00 1.19 C ATOM 645 CD LYS A2090 -14.475 1.732 8.014 1.00 1.79 C ATOM 646 CE LYS A2090 -15.446 2.822 8.407 1.00 2.14 C ATOM 647 NZ LYS A2090 -14.980 3.609 9.579 1.00 2.91 N ATOM 0 H LYS A2090 -11.609 1.052 5.920 1.00 0.30 H new ATOM 0 HA LYS A2090 -13.747 0.835 3.999 1.00 0.40 H new ATOM 0 HB2 LYS A2090 -14.314 -0.588 5.587 1.00 0.55 H new ATOM 0 HB3 LYS A2090 -13.119 0.057 6.694 1.00 0.55 H new ATOM 0 HG2 LYS A2090 -15.703 1.519 6.279 1.00 1.19 H new ATOM 0 HG3 LYS A2090 -15.655 0.099 7.305 1.00 1.19 H new ATOM 0 HD2 LYS A2090 -14.263 1.097 8.874 1.00 1.79 H new ATOM 0 HD3 LYS A2090 -13.528 2.174 7.703 1.00 1.79 H new ATOM 0 HE2 LYS A2090 -15.596 3.492 7.561 1.00 2.14 H new ATOM 0 HE3 LYS A2090 -16.414 2.376 8.635 1.00 2.14 H new ATOM 0 HZ1 LYS A2090 -15.682 4.342 9.806 1.00 2.91 H new ATOM 0 HZ2 LYS A2090 -14.862 2.977 10.397 1.00 2.91 H new ATOM 0 HZ3 LYS A2090 -14.070 4.059 9.355 1.00 2.91 H new ATOM 661 N ASP A2091 -13.301 3.638 5.455 1.00 0.33 N ATOM 662 CA ASP A2091 -13.752 5.019 5.429 1.00 0.35 C ATOM 663 C ASP A2091 -13.537 5.593 4.036 1.00 0.33 C ATOM 664 O ASP A2091 -14.279 6.467 3.589 1.00 0.39 O ATOM 665 CB ASP A2091 -12.995 5.852 6.463 1.00 0.38 C ATOM 666 CG ASP A2091 -13.598 7.227 6.673 1.00 1.03 C ATOM 667 OD1 ASP A2091 -13.243 8.167 5.933 1.00 1.88 O ATOM 668 OD2 ASP A2091 -14.420 7.374 7.601 1.00 1.04 O ATOM 0 H ASP A2091 -12.369 3.502 5.847 1.00 0.33 H new ATOM 0 HA ASP A2091 -14.813 5.051 5.677 1.00 0.35 H new ATOM 0 HB2 ASP A2091 -12.983 5.318 7.413 1.00 0.38 H new ATOM 0 HB3 ASP A2091 -11.958 5.961 6.145 1.00 0.38 H new ATOM 673 N LEU A2092 -12.521 5.082 3.339 1.00 0.30 N ATOM 674 CA LEU A2092 -12.245 5.522 1.983 1.00 0.32 C ATOM 675 C LEU A2092 -13.167 4.822 0.987 1.00 0.30 C ATOM 676 O LEU A2092 -13.405 5.338 -0.104 1.00 0.36 O ATOM 677 CB LEU A2092 -10.783 5.258 1.598 1.00 0.34 C ATOM 678 CG LEU A2092 -9.714 6.103 2.312 1.00 0.35 C ATOM 679 CD1 LEU A2092 -10.279 7.431 2.791 1.00 0.73 C ATOM 680 CD2 LEU A2092 -9.089 5.335 3.463 1.00 0.61 C ATOM 0 H LEU A2092 -11.884 4.369 3.693 1.00 0.30 H new ATOM 0 HA LEU A2092 -12.428 6.596 1.948 1.00 0.32 H new ATOM 0 HB2 LEU A2092 -10.567 4.206 1.787 1.00 0.34 H new ATOM 0 HB3 LEU A2092 -10.680 5.417 0.525 1.00 0.34 H new ATOM 0 HG LEU A2092 -8.932 6.320 1.585 1.00 0.35 H new ATOM 0 HD11 LEU A2092 -9.495 8.001 3.290 1.00 0.73 H new ATOM 0 HD12 LEU A2092 -10.651 7.997 1.937 1.00 0.73 H new ATOM 0 HD13 LEU A2092 -11.096 7.248 3.489 1.00 0.73 H new ATOM 0 HD21 LEU A2092 -8.337 5.956 3.949 1.00 0.61 H new ATOM 0 HD22 LEU A2092 -9.861 5.068 4.184 1.00 0.61 H new ATOM 0 HD23 LEU A2092 -8.619 4.428 3.083 1.00 0.61 H new ATOM 692 N GLY A2093 -13.692 3.656 1.362 1.00 0.26 N ATOM 693 CA GLY A2093 -14.652 2.972 0.507 1.00 0.26 C ATOM 694 C GLY A2093 -14.224 1.565 0.121 1.00 0.22 C ATOM 695 O GLY A2093 -14.826 0.951 -0.755 1.00 0.27 O ATOM 0 H GLY A2093 -13.473 3.176 2.235 1.00 0.26 H new ATOM 0 HA2 GLY A2093 -15.613 2.923 1.019 1.00 0.26 H new ATOM 0 HA3 GLY A2093 -14.803 3.559 -0.399 1.00 0.26 H new ATOM 699 N ILE A2094 -13.188 1.060 0.771 1.00 0.22 N ATOM 700 CA ILE A2094 -12.652 -0.265 0.474 1.00 0.19 C ATOM 701 C ILE A2094 -13.598 -1.381 0.919 1.00 0.18 C ATOM 702 O ILE A2094 -14.007 -1.441 2.081 1.00 0.22 O ATOM 703 CB ILE A2094 -11.271 -0.442 1.149 1.00 0.19 C ATOM 704 CG1 ILE A2094 -10.232 0.451 0.468 1.00 0.24 C ATOM 705 CG2 ILE A2094 -10.813 -1.896 1.143 1.00 0.21 C ATOM 706 CD1 ILE A2094 -10.038 0.159 -1.001 1.00 0.28 C ATOM 0 H ILE A2094 -12.695 1.552 1.516 1.00 0.22 H new ATOM 0 HA ILE A2094 -12.544 -0.339 -0.608 1.00 0.19 H new ATOM 0 HB ILE A2094 -11.373 -0.141 2.192 1.00 0.19 H new ATOM 0 HG12 ILE A2094 -10.531 1.493 0.584 1.00 0.24 H new ATOM 0 HG13 ILE A2094 -9.277 0.335 0.980 1.00 0.24 H new ATOM 0 HG21 ILE A2094 -9.839 -1.973 1.627 1.00 0.21 H new ATOM 0 HG22 ILE A2094 -11.536 -2.507 1.683 1.00 0.21 H new ATOM 0 HG23 ILE A2094 -10.736 -2.249 0.115 1.00 0.21 H new ATOM 0 HD11 ILE A2094 -9.286 0.834 -1.410 1.00 0.28 H new ATOM 0 HD12 ILE A2094 -9.707 -0.872 -1.126 1.00 0.28 H new ATOM 0 HD13 ILE A2094 -10.981 0.304 -1.528 1.00 0.28 H new ATOM 718 N ASP A2095 -13.943 -2.254 -0.026 1.00 0.19 N ATOM 719 CA ASP A2095 -14.739 -3.444 0.261 1.00 0.26 C ATOM 720 C ASP A2095 -13.810 -4.641 0.403 1.00 0.21 C ATOM 721 O ASP A2095 -12.598 -4.470 0.460 1.00 0.23 O ATOM 722 CB ASP A2095 -15.736 -3.731 -0.866 1.00 0.40 C ATOM 723 CG ASP A2095 -16.744 -2.625 -1.090 1.00 0.77 C ATOM 724 OD1 ASP A2095 -17.717 -2.537 -0.314 1.00 0.94 O ATOM 725 OD2 ASP A2095 -16.557 -1.818 -2.021 1.00 1.07 O ATOM 0 H ASP A2095 -13.680 -2.157 -1.007 1.00 0.19 H new ATOM 0 HA ASP A2095 -15.294 -3.269 1.183 1.00 0.26 H new ATOM 0 HB2 ASP A2095 -15.185 -3.900 -1.791 1.00 0.40 H new ATOM 0 HB3 ASP A2095 -16.269 -4.655 -0.640 1.00 0.40 H new ATOM 730 N SER A2096 -14.351 -5.855 0.436 1.00 0.30 N ATOM 731 CA SER A2096 -13.473 -7.018 0.440 1.00 0.35 C ATOM 732 C SER A2096 -12.970 -7.284 -0.974 1.00 0.30 C ATOM 733 O SER A2096 -11.907 -7.873 -1.177 1.00 0.38 O ATOM 734 CB SER A2096 -14.170 -8.264 0.997 1.00 0.51 C ATOM 735 OG SER A2096 -15.557 -7.979 1.307 1.00 0.85 O ATOM 0 H SER A2096 -15.351 -6.055 0.459 1.00 0.30 H new ATOM 0 HA SER A2096 -12.631 -6.799 1.096 1.00 0.35 H new ATOM 0 HB2 SER A2096 -14.114 -9.074 0.270 1.00 0.51 H new ATOM 0 HB3 SER A2096 -13.654 -8.605 1.895 1.00 0.51 H new ATOM 740 N LEU A2097 -13.740 -6.814 -1.943 1.00 0.29 N ATOM 741 CA LEU A2097 -13.408 -6.980 -3.353 1.00 0.35 C ATOM 742 C LEU A2097 -12.301 -6.026 -3.740 1.00 0.26 C ATOM 743 O LEU A2097 -11.276 -6.415 -4.288 1.00 0.35 O ATOM 744 CB LEU A2097 -14.632 -6.709 -4.221 1.00 0.50 C ATOM 745 CG LEU A2097 -15.875 -7.457 -3.805 1.00 1.06 C ATOM 746 CD1 LEU A2097 -17.072 -7.041 -4.643 1.00 1.39 C ATOM 747 CD2 LEU A2097 -15.622 -8.934 -3.922 1.00 1.65 C ATOM 0 H LEU A2097 -14.610 -6.308 -1.777 1.00 0.29 H new ATOM 0 HA LEU A2097 -13.076 -8.006 -3.511 1.00 0.35 H new ATOM 0 HB2 LEU A2097 -14.844 -5.640 -4.203 1.00 0.50 H new ATOM 0 HB3 LEU A2097 -14.395 -6.970 -5.252 1.00 0.50 H new ATOM 0 HG LEU A2097 -16.109 -7.213 -2.769 1.00 1.06 H new ATOM 0 HD11 LEU A2097 -17.953 -7.596 -4.320 1.00 1.39 H new ATOM 0 HD12 LEU A2097 -17.251 -5.973 -4.518 1.00 1.39 H new ATOM 0 HD13 LEU A2097 -16.873 -7.255 -5.693 1.00 1.39 H new ATOM 0 HD21 LEU A2097 -16.516 -9.481 -3.623 1.00 1.65 H new ATOM 0 HD22 LEU A2097 -15.374 -9.180 -4.955 1.00 1.65 H new ATOM 0 HD23 LEU A2097 -14.792 -9.213 -3.273 1.00 1.65 H new ATOM 759 N THR A2098 -12.516 -4.765 -3.440 1.00 0.19 N ATOM 760 CA THR A2098 -11.542 -3.738 -3.750 1.00 0.16 C ATOM 761 C THR A2098 -10.345 -3.787 -2.804 1.00 0.15 C ATOM 762 O THR A2098 -9.316 -3.158 -3.060 1.00 0.19 O ATOM 763 CB THR A2098 -12.188 -2.348 -3.744 1.00 0.21 C ATOM 764 OG1 THR A2098 -13.239 -2.297 -2.768 1.00 0.26 O ATOM 765 CG2 THR A2098 -12.742 -2.030 -5.124 1.00 0.27 C ATOM 0 H THR A2098 -13.360 -4.423 -2.980 1.00 0.19 H new ATOM 0 HA THR A2098 -11.171 -3.937 -4.755 1.00 0.16 H new ATOM 0 HB THR A2098 -11.432 -1.607 -3.485 1.00 0.21 H new ATOM 0 HG1 THR A2098 -13.580 -1.381 -2.702 1.00 0.26 H new ATOM 0 HG21 THR A2098 -13.200 -1.041 -5.113 1.00 0.27 H new ATOM 0 HG22 THR A2098 -11.933 -2.047 -5.854 1.00 0.27 H new ATOM 0 HG23 THR A2098 -13.491 -2.774 -5.395 1.00 0.27 H new ATOM 773 N ALA A2099 -10.475 -4.554 -1.727 1.00 0.15 N ATOM 774 CA ALA A2099 -9.359 -4.799 -0.825 1.00 0.19 C ATOM 775 C ALA A2099 -8.224 -5.495 -1.571 1.00 0.22 C ATOM 776 O ALA A2099 -7.067 -5.082 -1.494 1.00 0.29 O ATOM 777 CB ALA A2099 -9.807 -5.631 0.370 1.00 0.21 C ATOM 0 H ALA A2099 -11.344 -5.017 -1.458 1.00 0.15 H new ATOM 0 HA ALA A2099 -8.995 -3.841 -0.453 1.00 0.19 H new ATOM 0 HB1 ALA A2099 -8.958 -5.803 1.032 1.00 0.21 H new ATOM 0 HB2 ALA A2099 -10.588 -5.098 0.912 1.00 0.21 H new ATOM 0 HB3 ALA A2099 -10.196 -6.588 0.022 1.00 0.21 H new ATOM 783 N LEU A2100 -8.562 -6.537 -2.322 1.00 0.22 N ATOM 784 CA LEU A2100 -7.554 -7.285 -3.062 1.00 0.27 C ATOM 785 C LEU A2100 -7.016 -6.461 -4.228 1.00 0.26 C ATOM 786 O LEU A2100 -5.833 -6.527 -4.539 1.00 0.29 O ATOM 787 CB LEU A2100 -8.101 -8.646 -3.533 1.00 0.31 C ATOM 788 CG LEU A2100 -9.412 -8.625 -4.328 1.00 0.33 C ATOM 789 CD1 LEU A2100 -9.167 -8.333 -5.802 1.00 0.36 C ATOM 790 CD2 LEU A2100 -10.150 -9.944 -4.167 1.00 0.40 C ATOM 0 H LEU A2100 -9.516 -6.880 -2.434 1.00 0.22 H new ATOM 0 HA LEU A2100 -6.722 -7.489 -2.388 1.00 0.27 H new ATOM 0 HB2 LEU A2100 -7.338 -9.125 -4.147 1.00 0.31 H new ATOM 0 HB3 LEU A2100 -8.245 -9.276 -2.656 1.00 0.31 H new ATOM 0 HG LEU A2100 -10.030 -7.821 -3.927 1.00 0.33 H new ATOM 0 HD11 LEU A2100 -10.118 -8.326 -6.334 1.00 0.36 H new ATOM 0 HD12 LEU A2100 -8.686 -7.360 -5.905 1.00 0.36 H new ATOM 0 HD13 LEU A2100 -8.521 -9.104 -6.223 1.00 0.36 H new ATOM 0 HD21 LEU A2100 -11.078 -9.913 -4.737 1.00 0.40 H new ATOM 0 HD22 LEU A2100 -9.525 -10.758 -4.535 1.00 0.40 H new ATOM 0 HD23 LEU A2100 -10.376 -10.108 -3.113 1.00 0.40 H new ATOM 802 N GLU A2101 -7.888 -5.672 -4.852 1.00 0.24 N ATOM 803 CA GLU A2101 -7.497 -4.789 -5.948 1.00 0.26 C ATOM 804 C GLU A2101 -6.423 -3.804 -5.511 1.00 0.24 C ATOM 805 O GLU A2101 -5.458 -3.562 -6.235 1.00 0.27 O ATOM 806 CB GLU A2101 -8.723 -4.036 -6.440 1.00 0.29 C ATOM 807 CG GLU A2101 -9.767 -4.939 -7.048 1.00 0.35 C ATOM 808 CD GLU A2101 -9.453 -5.289 -8.486 1.00 0.50 C ATOM 809 OE1 GLU A2101 -10.034 -4.670 -9.404 1.00 0.72 O ATOM 810 OE2 GLU A2101 -8.624 -6.199 -8.708 1.00 0.56 O ATOM 0 H GLU A2101 -8.879 -5.627 -4.614 1.00 0.24 H new ATOM 0 HA GLU A2101 -7.082 -5.396 -6.753 1.00 0.26 H new ATOM 0 HB2 GLU A2101 -9.165 -3.489 -5.607 1.00 0.29 H new ATOM 0 HB3 GLU A2101 -8.415 -3.297 -7.179 1.00 0.29 H new ATOM 0 HG2 GLU A2101 -9.840 -5.854 -6.461 1.00 0.35 H new ATOM 0 HG3 GLU A2101 -10.740 -4.451 -6.999 1.00 0.35 H new ATOM 817 N LEU A2102 -6.608 -3.227 -4.333 1.00 0.21 N ATOM 818 CA LEU A2102 -5.620 -2.337 -3.753 1.00 0.22 C ATOM 819 C LEU A2102 -4.278 -3.051 -3.635 1.00 0.24 C ATOM 820 O LEU A2102 -3.256 -2.571 -4.131 1.00 0.27 O ATOM 821 CB LEU A2102 -6.102 -1.890 -2.382 1.00 0.24 C ATOM 822 CG LEU A2102 -5.680 -0.493 -1.945 1.00 0.28 C ATOM 823 CD1 LEU A2102 -6.347 -0.167 -0.641 1.00 0.65 C ATOM 824 CD2 LEU A2102 -4.179 -0.378 -1.797 1.00 0.57 C ATOM 0 H LEU A2102 -7.440 -3.362 -3.759 1.00 0.21 H new ATOM 0 HA LEU A2102 -5.490 -1.465 -4.394 1.00 0.22 H new ATOM 0 HB2 LEU A2102 -7.191 -1.939 -2.368 1.00 0.24 H new ATOM 0 HB3 LEU A2102 -5.741 -2.604 -1.642 1.00 0.24 H new ATOM 0 HG LEU A2102 -5.987 0.214 -2.716 1.00 0.28 H new ATOM 0 HD11 LEU A2102 -6.051 0.832 -0.320 1.00 0.65 H new ATOM 0 HD12 LEU A2102 -7.429 -0.201 -0.767 1.00 0.65 H new ATOM 0 HD13 LEU A2102 -6.047 -0.894 0.113 1.00 0.65 H new ATOM 0 HD21 LEU A2102 -3.921 0.634 -1.484 1.00 0.57 H new ATOM 0 HD22 LEU A2102 -3.832 -1.089 -1.048 1.00 0.57 H new ATOM 0 HD23 LEU A2102 -3.701 -0.595 -2.752 1.00 0.57 H new ATOM 836 N ARG A2103 -4.297 -4.204 -2.976 1.00 0.26 N ATOM 837 CA ARG A2103 -3.110 -5.028 -2.827 1.00 0.34 C ATOM 838 C ARG A2103 -2.498 -5.363 -4.183 1.00 0.35 C ATOM 839 O ARG A2103 -1.278 -5.381 -4.330 1.00 0.43 O ATOM 840 CB ARG A2103 -3.461 -6.319 -2.100 1.00 0.48 C ATOM 841 CG ARG A2103 -2.270 -7.231 -1.932 1.00 0.94 C ATOM 842 CD ARG A2103 -2.668 -8.577 -1.365 1.00 0.77 C ATOM 843 NE ARG A2103 -3.330 -9.422 -2.356 1.00 0.94 N ATOM 844 CZ ARG A2103 -2.693 -10.286 -3.147 1.00 1.48 C ATOM 845 NH1 ARG A2103 -1.369 -10.396 -3.094 1.00 2.43 N ATOM 846 NH2 ARG A2103 -3.383 -11.034 -3.993 1.00 1.60 N ATOM 0 H ARG A2103 -5.131 -4.589 -2.534 1.00 0.26 H new ATOM 0 HA ARG A2103 -2.380 -4.463 -2.246 1.00 0.34 H new ATOM 0 HB2 ARG A2103 -3.872 -6.079 -1.119 1.00 0.48 H new ATOM 0 HB3 ARG A2103 -4.240 -6.843 -2.653 1.00 0.48 H new ATOM 0 HG2 ARG A2103 -1.782 -7.373 -2.896 1.00 0.94 H new ATOM 0 HG3 ARG A2103 -1.542 -6.760 -1.272 1.00 0.94 H new ATOM 0 HD2 ARG A2103 -1.781 -9.087 -0.990 1.00 0.77 H new ATOM 0 HD3 ARG A2103 -3.334 -8.428 -0.515 1.00 0.77 H new ATOM 0 HE ARG A2103 -4.343 -9.346 -2.449 1.00 0.94 H new ATOM 0 HH11 ARG A2103 -0.835 -9.818 -2.446 1.00 2.43 H new ATOM 0 HH12 ARG A2103 -0.888 -11.059 -3.702 1.00 2.43 H new ATOM 0 HH21 ARG A2103 -4.398 -10.948 -4.038 1.00 1.60 H new ATOM 0 HH22 ARG A2103 -2.899 -11.696 -4.600 1.00 1.60 H new ATOM 860 N ASN A2104 -3.354 -5.647 -5.156 1.00 0.33 N ATOM 861 CA ASN A2104 -2.923 -5.924 -6.520 1.00 0.38 C ATOM 862 C ASN A2104 -1.994 -4.826 -7.022 1.00 0.39 C ATOM 863 O ASN A2104 -0.884 -5.104 -7.473 1.00 0.48 O ATOM 864 CB ASN A2104 -4.140 -6.068 -7.444 1.00 0.39 C ATOM 865 CG ASN A2104 -4.834 -7.409 -7.292 1.00 0.43 C ATOM 866 OD1 ASN A2104 -4.211 -8.407 -6.930 1.00 0.47 O ATOM 867 ND2 ASN A2104 -6.128 -7.448 -7.583 1.00 0.44 N ATOM 0 H ASN A2104 -4.364 -5.692 -5.022 1.00 0.33 H new ATOM 0 HA ASN A2104 -2.372 -6.864 -6.525 1.00 0.38 H new ATOM 0 HB2 ASN A2104 -4.850 -5.269 -7.230 1.00 0.39 H new ATOM 0 HB3 ASN A2104 -3.822 -5.943 -8.479 1.00 0.39 H new ATOM 0 HD21 ASN A2104 -6.641 -8.327 -7.510 1.00 0.44 H new ATOM 0 HD22 ASN A2104 -6.610 -6.599 -7.880 1.00 0.44 H new ATOM 874 N THR A2105 -2.433 -3.579 -6.903 1.00 0.33 N ATOM 875 CA THR A2105 -1.623 -2.442 -7.313 1.00 0.39 C ATOM 876 C THR A2105 -0.333 -2.368 -6.491 1.00 0.42 C ATOM 877 O THR A2105 0.757 -2.187 -7.038 1.00 0.51 O ATOM 878 CB THR A2105 -2.404 -1.122 -7.153 1.00 0.41 C ATOM 879 OG1 THR A2105 -3.674 -1.226 -7.807 1.00 0.46 O ATOM 880 CG2 THR A2105 -1.623 0.045 -7.736 1.00 0.51 C ATOM 0 H THR A2105 -3.347 -3.331 -6.525 1.00 0.33 H new ATOM 0 HA THR A2105 -1.371 -2.582 -8.364 1.00 0.39 H new ATOM 0 HB THR A2105 -2.554 -0.940 -6.089 1.00 0.41 H new ATOM 0 HG1 THR A2105 -4.166 -0.385 -7.701 1.00 0.46 H new ATOM 0 HG21 THR A2105 -2.195 0.964 -7.611 1.00 0.51 H new ATOM 0 HG22 THR A2105 -0.668 0.138 -7.219 1.00 0.51 H new ATOM 0 HG23 THR A2105 -1.445 -0.130 -8.797 1.00 0.51 H new ATOM 888 N LEU A2106 -0.468 -2.538 -5.179 1.00 0.42 N ATOM 889 CA LEU A2106 0.666 -2.454 -4.263 1.00 0.55 C ATOM 890 C LEU A2106 1.731 -3.492 -4.602 1.00 0.54 C ATOM 891 O LEU A2106 2.925 -3.186 -4.634 1.00 0.56 O ATOM 892 CB LEU A2106 0.193 -2.655 -2.817 1.00 0.74 C ATOM 893 CG LEU A2106 -0.894 -1.690 -2.343 1.00 0.44 C ATOM 894 CD1 LEU A2106 -1.256 -1.957 -0.889 1.00 1.13 C ATOM 895 CD2 LEU A2106 -0.452 -0.249 -2.525 1.00 0.81 C ATOM 0 H LEU A2106 -1.359 -2.736 -4.723 1.00 0.42 H new ATOM 0 HA LEU A2106 1.107 -1.463 -4.369 1.00 0.55 H new ATOM 0 HB2 LEU A2106 -0.179 -3.674 -2.713 1.00 0.74 H new ATOM 0 HB3 LEU A2106 1.053 -2.560 -2.155 1.00 0.74 H new ATOM 0 HG LEU A2106 -1.782 -1.856 -2.953 1.00 0.44 H new ATOM 0 HD11 LEU A2106 -2.031 -1.259 -0.573 1.00 1.13 H new ATOM 0 HD12 LEU A2106 -1.624 -2.978 -0.787 1.00 1.13 H new ATOM 0 HD13 LEU A2106 -0.373 -1.826 -0.264 1.00 1.13 H new ATOM 0 HD21 LEU A2106 -1.241 0.420 -2.181 1.00 0.81 H new ATOM 0 HD22 LEU A2106 0.454 -0.070 -1.945 1.00 0.81 H new ATOM 0 HD23 LEU A2106 -0.251 -0.061 -3.580 1.00 0.81 H new ATOM 907 N THR A2107 1.287 -4.713 -4.867 1.00 0.56 N ATOM 908 CA THR A2107 2.187 -5.811 -5.188 1.00 0.62 C ATOM 909 C THR A2107 2.906 -5.556 -6.511 1.00 0.60 C ATOM 910 O THR A2107 4.111 -5.783 -6.634 1.00 0.64 O ATOM 911 CB THR A2107 1.414 -7.141 -5.282 1.00 0.69 C ATOM 912 OG1 THR A2107 0.606 -7.322 -4.111 1.00 0.73 O ATOM 913 CG2 THR A2107 2.368 -8.317 -5.433 1.00 0.81 C ATOM 0 H THR A2107 0.300 -4.969 -4.866 1.00 0.56 H new ATOM 0 HA THR A2107 2.923 -5.877 -4.387 1.00 0.62 H new ATOM 0 HB THR A2107 0.774 -7.100 -6.163 1.00 0.69 H new ATOM 0 HG1 THR A2107 -0.198 -6.766 -4.179 1.00 0.73 H new ATOM 0 HG21 THR A2107 1.797 -9.243 -5.497 1.00 0.81 H new ATOM 0 HG22 THR A2107 2.959 -8.192 -6.340 1.00 0.81 H new ATOM 0 HG23 THR A2107 3.032 -8.360 -4.570 1.00 0.81 H new ATOM 921 N HIS A2108 2.162 -5.054 -7.490 1.00 0.58 N ATOM 922 CA HIS A2108 2.705 -4.825 -8.824 1.00 0.62 C ATOM 923 C HIS A2108 3.676 -3.650 -8.823 1.00 0.60 C ATOM 924 O HIS A2108 4.589 -3.585 -9.646 1.00 0.68 O ATOM 925 CB HIS A2108 1.574 -4.576 -9.828 1.00 0.68 C ATOM 926 CG HIS A2108 0.631 -5.735 -9.970 1.00 1.20 C ATOM 927 ND1 HIS A2108 -0.665 -5.602 -10.421 1.00 1.74 N ATOM 928 CD2 HIS A2108 0.799 -7.052 -9.707 1.00 2.24 C ATOM 929 CE1 HIS A2108 -1.251 -6.784 -10.426 1.00 2.48 C ATOM 930 NE2 HIS A2108 -0.385 -7.681 -9.997 1.00 2.81 N ATOM 0 H HIS A2108 1.180 -4.798 -7.385 1.00 0.58 H new ATOM 0 HA HIS A2108 3.250 -5.720 -9.124 1.00 0.62 H new ATOM 0 HB2 HIS A2108 1.011 -3.696 -9.517 1.00 0.68 H new ATOM 0 HB3 HIS A2108 2.007 -4.349 -10.802 1.00 0.68 H new ATOM 0 HD2 HIS A2108 1.699 -7.521 -9.337 1.00 2.24 H new ATOM 0 HE1 HIS A2108 -2.268 -6.983 -10.730 1.00 2.48 H new ATOM 0 HE2 HIS A2108 -0.566 -8.680 -9.897 1.00 2.81 H new ATOM 939 N ASN A2109 3.477 -2.725 -7.893 1.00 0.57 N ATOM 940 CA ASN A2109 4.357 -1.572 -7.768 1.00 0.64 C ATOM 941 C ASN A2109 5.663 -1.955 -7.089 1.00 0.66 C ATOM 942 O ASN A2109 6.751 -1.608 -7.556 1.00 0.85 O ATOM 943 CB ASN A2109 3.691 -0.453 -6.965 1.00 0.82 C ATOM 944 CG ASN A2109 4.595 0.762 -6.847 1.00 1.61 C ATOM 945 OD1 ASN A2109 5.396 0.806 -5.791 1.00 1.85 O flip ATOM 946 ND2 ASN A2109 4.576 1.648 -7.699 1.00 2.60 N flip ATOM 0 H ASN A2109 2.715 -2.751 -7.215 1.00 0.57 H new ATOM 0 HA ASN A2109 4.563 -1.216 -8.777 1.00 0.64 H new ATOM 0 HB2 ASN A2109 2.755 -0.166 -7.445 1.00 0.82 H new ATOM 0 HB3 ASN A2109 3.439 -0.818 -5.969 1.00 0.82 H new ATOM 0 HD21 ASN A2109 3.944 1.575 -8.496 1.00 2.60 H new ATOM 0 HD22 ASN A2109 5.192 2.456 -7.608 1.00 2.60 H new ATOM 953 N THR A2110 5.549 -2.665 -5.978 1.00 0.65 N ATOM 954 CA THR A2110 6.707 -2.984 -5.167 1.00 0.78 C ATOM 955 C THR A2110 7.608 -3.999 -5.858 1.00 0.81 C ATOM 956 O THR A2110 8.829 -3.862 -5.838 1.00 1.02 O ATOM 957 CB THR A2110 6.283 -3.496 -3.782 1.00 0.83 C ATOM 958 OG1 THR A2110 5.256 -4.487 -3.918 1.00 0.72 O ATOM 959 CG2 THR A2110 5.779 -2.342 -2.925 1.00 1.03 C ATOM 0 H THR A2110 4.666 -3.030 -5.620 1.00 0.65 H new ATOM 0 HA THR A2110 7.277 -2.064 -5.035 1.00 0.78 H new ATOM 0 HB THR A2110 7.149 -3.945 -3.295 1.00 0.83 H new ATOM 0 HG1 THR A2110 4.388 -4.046 -4.029 1.00 0.72 H new ATOM 0 HG21 THR A2110 5.482 -2.718 -1.946 1.00 1.03 H new ATOM 0 HG22 THR A2110 6.573 -1.605 -2.804 1.00 1.03 H new ATOM 0 HG23 THR A2110 4.921 -1.876 -3.410 1.00 1.03 H new ATOM 967 N GLY A2111 7.003 -4.997 -6.488 1.00 0.72 N ATOM 968 CA GLY A2111 7.769 -5.962 -7.253 1.00 0.86 C ATOM 969 C GLY A2111 7.890 -7.299 -6.554 1.00 0.88 C ATOM 970 O GLY A2111 7.958 -8.344 -7.207 1.00 1.05 O ATOM 0 H GLY A2111 5.995 -5.156 -6.483 1.00 0.72 H new ATOM 0 HA2 GLY A2111 7.297 -6.106 -8.225 1.00 0.86 H new ATOM 0 HA3 GLY A2111 8.766 -5.563 -7.439 1.00 0.86 H new ATOM 974 N LEU A2112 7.903 -7.278 -5.229 1.00 0.84 N ATOM 975 CA LEU A2112 7.987 -8.506 -4.452 1.00 0.92 C ATOM 976 C LEU A2112 6.607 -9.121 -4.266 1.00 0.80 C ATOM 977 O LEU A2112 5.612 -8.612 -4.782 1.00 0.97 O ATOM 978 CB LEU A2112 8.666 -8.253 -3.096 1.00 1.21 C ATOM 979 CG LEU A2112 8.202 -7.022 -2.300 1.00 1.05 C ATOM 980 CD1 LEU A2112 6.757 -7.154 -1.838 1.00 1.45 C ATOM 981 CD2 LEU A2112 9.113 -6.823 -1.106 1.00 1.34 C ATOM 0 H LEU A2112 7.857 -6.426 -4.670 1.00 0.84 H new ATOM 0 HA LEU A2112 8.601 -9.216 -5.005 1.00 0.92 H new ATOM 0 HB2 LEU A2112 8.517 -9.135 -2.473 1.00 1.21 H new ATOM 0 HB3 LEU A2112 9.739 -8.161 -3.267 1.00 1.21 H new ATOM 0 HG LEU A2112 8.255 -6.155 -2.958 1.00 1.05 H new ATOM 0 HD11 LEU A2112 6.471 -6.263 -1.280 1.00 1.45 H new ATOM 0 HD12 LEU A2112 6.106 -7.264 -2.706 1.00 1.45 H new ATOM 0 HD13 LEU A2112 6.658 -8.030 -1.198 1.00 1.45 H new ATOM 0 HD21 LEU A2112 8.786 -5.951 -0.540 1.00 1.34 H new ATOM 0 HD22 LEU A2112 9.074 -7.705 -0.467 1.00 1.34 H new ATOM 0 HD23 LEU A2112 10.136 -6.669 -1.450 1.00 1.34 H new ATOM 993 N ASP A2113 6.553 -10.219 -3.532 1.00 0.77 N ATOM 994 CA ASP A2113 5.303 -10.931 -3.330 1.00 0.77 C ATOM 995 C ASP A2113 4.917 -10.898 -1.861 1.00 0.92 C ATOM 996 O ASP A2113 5.751 -11.134 -0.982 1.00 1.14 O ATOM 997 CB ASP A2113 5.421 -12.376 -3.816 1.00 0.83 C ATOM 998 CG ASP A2113 4.092 -13.111 -3.797 1.00 0.91 C ATOM 999 OD1 ASP A2113 3.819 -13.838 -2.818 1.00 0.90 O ATOM 1000 OD2 ASP A2113 3.318 -12.976 -4.772 1.00 1.18 O ATOM 0 H ASP A2113 7.359 -10.636 -3.067 1.00 0.77 H new ATOM 0 HA ASP A2113 4.524 -10.437 -3.911 1.00 0.77 H new ATOM 0 HB2 ASP A2113 5.821 -12.382 -4.830 1.00 0.83 H new ATOM 0 HB3 ASP A2113 6.135 -12.909 -3.188 1.00 0.83 H new ATOM 1005 N LEU A2114 3.661 -10.588 -1.605 1.00 1.05 N ATOM 1006 CA LEU A2114 3.150 -10.493 -0.251 1.00 1.34 C ATOM 1007 C LEU A2114 1.786 -11.213 -0.165 1.00 1.00 C ATOM 1008 O LEU A2114 1.290 -11.687 -1.190 1.00 1.04 O ATOM 1009 CB LEU A2114 3.118 -9.006 0.218 1.00 1.98 C ATOM 1010 CG LEU A2114 2.382 -7.962 -0.648 1.00 2.33 C ATOM 1011 CD1 LEU A2114 3.127 -7.681 -1.942 1.00 2.71 C ATOM 1012 CD2 LEU A2114 0.958 -8.387 -0.933 1.00 2.95 C ATOM 0 H LEU A2114 2.967 -10.395 -2.328 1.00 1.05 H new ATOM 0 HA LEU A2114 3.816 -11.002 0.446 1.00 1.34 H new ATOM 0 HB2 LEU A2114 2.669 -8.984 1.211 1.00 1.98 H new ATOM 0 HB3 LEU A2114 4.150 -8.674 0.327 1.00 1.98 H new ATOM 0 HG LEU A2114 2.351 -7.036 -0.074 1.00 2.33 H new ATOM 0 HD11 LEU A2114 2.578 -6.941 -2.525 1.00 2.71 H new ATOM 0 HD12 LEU A2114 4.121 -7.298 -1.713 1.00 2.71 H new ATOM 0 HD13 LEU A2114 3.217 -8.602 -2.518 1.00 2.71 H new ATOM 0 HD21 LEU A2114 0.468 -7.630 -1.545 1.00 2.95 H new ATOM 0 HD22 LEU A2114 0.962 -9.338 -1.466 1.00 2.95 H new ATOM 0 HD23 LEU A2114 0.417 -8.500 0.007 1.00 2.95 H new ATOM 1024 N PRO A2115 1.142 -11.305 1.019 1.00 0.85 N ATOM 1025 CA PRO A2115 -0.019 -12.173 1.204 1.00 0.64 C ATOM 1026 C PRO A2115 -1.310 -11.546 0.703 1.00 0.57 C ATOM 1027 O PRO A2115 -1.462 -10.327 0.704 1.00 0.58 O ATOM 1028 CB PRO A2115 -0.085 -12.359 2.716 1.00 0.76 C ATOM 1029 CG PRO A2115 0.574 -11.158 3.307 1.00 0.98 C ATOM 1030 CD PRO A2115 1.437 -10.536 2.240 1.00 1.10 C ATOM 0 HA PRO A2115 0.084 -13.101 0.642 1.00 0.64 H new ATOM 0 HB2 PRO A2115 -1.118 -12.443 3.054 1.00 0.76 H new ATOM 0 HB3 PRO A2115 0.425 -13.273 3.019 1.00 0.76 H new ATOM 0 HG2 PRO A2115 -0.173 -10.446 3.658 1.00 0.98 H new ATOM 0 HG3 PRO A2115 1.177 -11.439 4.171 1.00 0.98 H new ATOM 0 HD2 PRO A2115 1.203 -9.480 2.108 1.00 1.10 H new ATOM 0 HD3 PRO A2115 2.494 -10.598 2.500 1.00 1.10 H new ATOM 1038 N PRO A2116 -2.268 -12.390 0.280 1.00 0.57 N ATOM 1039 CA PRO A2116 -3.583 -11.939 -0.191 1.00 0.62 C ATOM 1040 C PRO A2116 -4.384 -11.265 0.915 1.00 0.58 C ATOM 1041 O PRO A2116 -5.347 -10.549 0.652 1.00 0.68 O ATOM 1042 CB PRO A2116 -4.273 -13.230 -0.640 1.00 0.73 C ATOM 1043 CG PRO A2116 -3.568 -14.316 0.094 1.00 0.75 C ATOM 1044 CD PRO A2116 -2.144 -13.858 0.224 1.00 0.63 C ATOM 0 HA PRO A2116 -3.498 -11.195 -0.983 1.00 0.62 H new ATOM 0 HB2 PRO A2116 -5.336 -13.215 -0.398 1.00 0.73 H new ATOM 0 HB3 PRO A2116 -4.194 -13.366 -1.719 1.00 0.73 H new ATOM 0 HG2 PRO A2116 -4.017 -14.483 1.073 1.00 0.75 H new ATOM 0 HG3 PRO A2116 -3.628 -15.259 -0.449 1.00 0.75 H new ATOM 0 HD2 PRO A2116 -1.673 -14.257 1.122 1.00 0.63 H new ATOM 0 HD3 PRO A2116 -1.538 -14.179 -0.623 1.00 0.63 H new ATOM 1052 N THR A2117 -3.961 -11.486 2.153 1.00 0.54 N ATOM 1053 CA THR A2117 -4.614 -10.890 3.302 1.00 0.59 C ATOM 1054 C THR A2117 -3.999 -9.540 3.638 1.00 0.50 C ATOM 1055 O THR A2117 -4.345 -8.939 4.634 1.00 0.54 O ATOM 1056 CB THR A2117 -4.537 -11.806 4.532 1.00 0.73 C ATOM 1057 OG1 THR A2117 -3.191 -12.267 4.714 1.00 0.74 O ATOM 1058 CG2 THR A2117 -5.480 -12.986 4.382 1.00 0.86 C ATOM 0 H THR A2117 -3.163 -12.078 2.384 1.00 0.54 H new ATOM 0 HA THR A2117 -5.662 -10.751 3.036 1.00 0.59 H new ATOM 0 HB THR A2117 -4.840 -11.236 5.410 1.00 0.73 H new ATOM 0 HG1 THR A2117 -2.722 -11.670 5.334 1.00 0.74 H new ATOM 0 HG21 THR A2117 -5.410 -13.622 5.264 1.00 0.86 H new ATOM 0 HG22 THR A2117 -6.503 -12.623 4.277 1.00 0.86 H new ATOM 0 HG23 THR A2117 -5.206 -13.561 3.497 1.00 0.86 H new ATOM 1066 N LEU A2118 -3.060 -9.106 2.803 1.00 0.45 N ATOM 1067 CA LEU A2118 -2.398 -7.801 2.929 1.00 0.45 C ATOM 1068 C LEU A2118 -3.321 -6.713 3.504 1.00 0.41 C ATOM 1069 O LEU A2118 -3.059 -6.167 4.579 1.00 0.43 O ATOM 1070 CB LEU A2118 -1.908 -7.388 1.540 1.00 0.49 C ATOM 1071 CG LEU A2118 -0.820 -6.321 1.474 1.00 0.40 C ATOM 1072 CD1 LEU A2118 -1.401 -4.928 1.638 1.00 0.70 C ATOM 1073 CD2 LEU A2118 0.246 -6.602 2.510 1.00 0.65 C ATOM 0 H LEU A2118 -2.730 -9.653 2.008 1.00 0.45 H new ATOM 0 HA LEU A2118 -1.571 -7.902 3.631 1.00 0.45 H new ATOM 0 HB2 LEU A2118 -1.538 -8.279 1.033 1.00 0.49 H new ATOM 0 HB3 LEU A2118 -2.766 -7.031 0.971 1.00 0.49 H new ATOM 0 HG LEU A2118 -0.358 -6.359 0.487 1.00 0.40 H new ATOM 0 HD11 LEU A2118 -0.600 -4.191 1.586 1.00 0.70 H new ATOM 0 HD12 LEU A2118 -2.121 -4.738 0.842 1.00 0.70 H new ATOM 0 HD13 LEU A2118 -1.900 -4.853 2.604 1.00 0.70 H new ATOM 0 HD21 LEU A2118 1.018 -5.835 2.455 1.00 0.65 H new ATOM 0 HD22 LEU A2118 -0.202 -6.595 3.504 1.00 0.65 H new ATOM 0 HD23 LEU A2118 0.691 -7.579 2.319 1.00 0.65 H new ATOM 1085 N ILE A2119 -4.399 -6.416 2.787 1.00 0.38 N ATOM 1086 CA ILE A2119 -5.323 -5.354 3.179 1.00 0.40 C ATOM 1087 C ILE A2119 -6.197 -5.799 4.353 1.00 0.42 C ATOM 1088 O ILE A2119 -6.669 -4.984 5.144 1.00 0.50 O ATOM 1089 CB ILE A2119 -6.207 -4.948 1.977 1.00 0.42 C ATOM 1090 CG1 ILE A2119 -5.335 -4.426 0.836 1.00 0.40 C ATOM 1091 CG2 ILE A2119 -7.237 -3.902 2.371 1.00 0.42 C ATOM 1092 CD1 ILE A2119 -4.599 -3.149 1.169 1.00 0.33 C ATOM 0 H ILE A2119 -4.657 -6.898 1.926 1.00 0.38 H new ATOM 0 HA ILE A2119 -4.739 -4.490 3.497 1.00 0.40 H new ATOM 0 HB ILE A2119 -6.744 -5.835 1.642 1.00 0.42 H new ATOM 0 HG12 ILE A2119 -4.609 -5.193 0.565 1.00 0.40 H new ATOM 0 HG13 ILE A2119 -5.961 -4.256 -0.040 1.00 0.40 H new ATOM 0 HG21 ILE A2119 -7.841 -3.640 1.502 1.00 0.42 H new ATOM 0 HG22 ILE A2119 -7.882 -4.303 3.153 1.00 0.42 H new ATOM 0 HG23 ILE A2119 -6.728 -3.012 2.741 1.00 0.42 H new ATOM 0 HD11 ILE A2119 -4.001 -2.840 0.312 1.00 0.33 H new ATOM 0 HD12 ILE A2119 -5.319 -2.367 1.411 1.00 0.33 H new ATOM 0 HD13 ILE A2119 -3.946 -3.318 2.025 1.00 0.33 H new ATOM 1104 N PHE A2120 -6.377 -7.104 4.468 1.00 0.46 N ATOM 1105 CA PHE A2120 -7.166 -7.695 5.534 1.00 0.53 C ATOM 1106 C PHE A2120 -6.403 -7.630 6.856 1.00 0.52 C ATOM 1107 O PHE A2120 -6.990 -7.508 7.928 1.00 0.60 O ATOM 1108 CB PHE A2120 -7.481 -9.151 5.172 1.00 0.61 C ATOM 1109 CG PHE A2120 -8.340 -9.302 3.942 1.00 1.47 C ATOM 1110 CD1 PHE A2120 -9.682 -9.640 4.050 1.00 1.67 C ATOM 1111 CD2 PHE A2120 -7.805 -9.106 2.679 1.00 2.50 C ATOM 1112 CE1 PHE A2120 -10.470 -9.784 2.924 1.00 2.55 C ATOM 1113 CE2 PHE A2120 -8.590 -9.248 1.550 1.00 3.49 C ATOM 1114 CZ PHE A2120 -9.927 -9.576 1.675 1.00 3.43 C ATOM 0 H PHE A2120 -5.978 -7.785 3.822 1.00 0.46 H new ATOM 0 HA PHE A2120 -8.096 -7.139 5.651 1.00 0.53 H new ATOM 0 HB2 PHE A2120 -6.545 -9.688 5.018 1.00 0.61 H new ATOM 0 HB3 PHE A2120 -7.984 -9.624 6.015 1.00 0.61 H new ATOM 0 HD1 PHE A2120 -10.116 -9.792 5.027 1.00 1.67 H new ATOM 0 HD2 PHE A2120 -6.764 -8.839 2.575 1.00 2.50 H new ATOM 0 HE1 PHE A2120 -11.510 -10.059 3.023 1.00 2.55 H new ATOM 0 HE2 PHE A2120 -8.159 -9.103 0.571 1.00 3.49 H new ATOM 0 HZ PHE A2120 -10.545 -9.669 0.794 1.00 3.43 H new ATOM 1124 N ASP A2121 -5.085 -7.717 6.760 1.00 0.48 N ATOM 1125 CA ASP A2121 -4.213 -7.677 7.917 1.00 0.49 C ATOM 1126 C ASP A2121 -3.982 -6.247 8.380 1.00 0.45 C ATOM 1127 O ASP A2121 -4.168 -5.932 9.556 1.00 0.51 O ATOM 1128 CB ASP A2121 -2.858 -8.321 7.597 1.00 0.50 C ATOM 1129 CG ASP A2121 -2.920 -9.828 7.438 1.00 1.20 C ATOM 1130 OD1 ASP A2121 -3.491 -10.498 8.320 1.00 1.42 O ATOM 1131 OD2 ASP A2121 -2.365 -10.354 6.446 1.00 2.00 O ATOM 0 H ASP A2121 -4.591 -7.818 5.873 1.00 0.48 H new ATOM 0 HA ASP A2121 -4.705 -8.236 8.713 1.00 0.49 H new ATOM 0 HB2 ASP A2121 -2.466 -7.884 6.679 1.00 0.50 H new ATOM 0 HB3 ASP A2121 -2.153 -8.077 8.392 1.00 0.50 H new ATOM 1136 N HIS A2122 -3.582 -5.378 7.456 1.00 0.38 N ATOM 1137 CA HIS A2122 -3.163 -4.023 7.821 1.00 0.37 C ATOM 1138 C HIS A2122 -3.919 -2.971 7.028 1.00 0.34 C ATOM 1139 O HIS A2122 -3.337 -2.353 6.138 1.00 0.32 O ATOM 1140 CB HIS A2122 -1.664 -3.811 7.538 1.00 0.35 C ATOM 1141 CG HIS A2122 -0.802 -5.012 7.766 1.00 0.45 C ATOM 1142 ND1 HIS A2122 -0.352 -5.397 9.007 1.00 0.63 N ATOM 1143 CD2 HIS A2122 -0.307 -5.921 6.888 1.00 0.51 C ATOM 1144 CE1 HIS A2122 0.382 -6.487 8.887 1.00 0.71 C ATOM 1145 NE2 HIS A2122 0.425 -6.828 7.613 1.00 0.63 N ATOM 0 H HIS A2122 -3.538 -5.582 6.458 1.00 0.38 H new ATOM 0 HA HIS A2122 -3.374 -3.917 8.885 1.00 0.37 H new ATOM 0 HB2 HIS A2122 -1.547 -3.489 6.503 1.00 0.35 H new ATOM 0 HB3 HIS A2122 -1.302 -2.998 8.167 1.00 0.35 H new ATOM 0 HD2 HIS A2122 -0.460 -5.929 5.819 1.00 0.51 H new ATOM 0 HE1 HIS A2122 0.867 -7.012 9.697 1.00 0.71 H new ATOM 0 HE2 HIS A2122 0.921 -7.633 7.230 1.00 0.63 H new ATOM 1154 N PRO A2123 -5.206 -2.720 7.289 1.00 0.36 N ATOM 1155 CA PRO A2123 -5.873 -1.667 6.556 1.00 0.34 C ATOM 1156 C PRO A2123 -5.579 -0.295 7.153 1.00 0.32 C ATOM 1157 O PRO A2123 -6.125 0.084 8.192 1.00 0.36 O ATOM 1158 CB PRO A2123 -7.348 -2.021 6.722 1.00 0.40 C ATOM 1159 CG PRO A2123 -7.434 -2.776 8.015 1.00 0.43 C ATOM 1160 CD PRO A2123 -6.079 -3.397 8.258 1.00 0.41 C ATOM 0 HA PRO A2123 -5.550 -1.605 5.517 1.00 0.34 H new ATOM 0 HB2 PRO A2123 -7.967 -1.124 6.749 1.00 0.40 H new ATOM 0 HB3 PRO A2123 -7.703 -2.628 5.889 1.00 0.40 H new ATOM 0 HG2 PRO A2123 -7.704 -2.109 8.833 1.00 0.43 H new ATOM 0 HG3 PRO A2123 -8.206 -3.544 7.962 1.00 0.43 H new ATOM 0 HD2 PRO A2123 -5.742 -3.235 9.282 1.00 0.41 H new ATOM 0 HD3 PRO A2123 -6.098 -4.475 8.095 1.00 0.41 H new ATOM 1168 N THR A2124 -4.712 0.435 6.467 1.00 0.27 N ATOM 1169 CA THR A2124 -4.457 1.851 6.699 1.00 0.23 C ATOM 1170 C THR A2124 -3.423 2.323 5.681 1.00 0.22 C ATOM 1171 O THR A2124 -2.490 1.573 5.385 1.00 0.26 O ATOM 1172 CB THR A2124 -3.960 2.177 8.128 1.00 0.31 C ATOM 1173 OG1 THR A2124 -3.661 0.980 8.855 1.00 0.50 O ATOM 1174 CG2 THR A2124 -4.994 2.983 8.894 1.00 0.29 C ATOM 0 H THR A2124 -4.149 0.047 5.710 1.00 0.27 H new ATOM 0 HA THR A2124 -5.408 2.372 6.587 1.00 0.23 H new ATOM 0 HB THR A2124 -3.050 2.768 8.026 1.00 0.31 H new ATOM 0 HG1 THR A2124 -3.348 1.213 9.754 1.00 0.50 H new ATOM 0 HG21 THR A2124 -4.619 3.198 9.895 1.00 0.29 H new ATOM 0 HG22 THR A2124 -5.187 3.919 8.370 1.00 0.29 H new ATOM 0 HG23 THR A2124 -5.919 2.411 8.968 1.00 0.29 H new ATOM 1182 N PRO A2125 -3.550 3.528 5.120 1.00 0.19 N ATOM 1183 CA PRO A2125 -2.612 4.012 4.103 1.00 0.18 C ATOM 1184 C PRO A2125 -1.159 3.977 4.591 1.00 0.17 C ATOM 1185 O PRO A2125 -0.307 3.299 4.007 1.00 0.20 O ATOM 1186 CB PRO A2125 -3.068 5.449 3.847 1.00 0.22 C ATOM 1187 CG PRO A2125 -4.498 5.469 4.264 1.00 0.25 C ATOM 1188 CD PRO A2125 -4.597 4.512 5.417 1.00 0.24 C ATOM 0 HA PRO A2125 -2.622 3.390 3.208 1.00 0.18 H new ATOM 0 HB2 PRO A2125 -2.477 6.161 4.423 1.00 0.22 H new ATOM 0 HB3 PRO A2125 -2.957 5.719 2.797 1.00 0.22 H new ATOM 0 HG2 PRO A2125 -4.806 6.472 4.560 1.00 0.25 H new ATOM 0 HG3 PRO A2125 -5.149 5.164 3.445 1.00 0.25 H new ATOM 0 HD2 PRO A2125 -4.424 5.010 6.371 1.00 0.24 H new ATOM 0 HD3 PRO A2125 -5.582 4.049 5.474 1.00 0.24 H new ATOM 1196 N HIS A2126 -0.893 4.677 5.691 1.00 0.23 N ATOM 1197 CA HIS A2126 0.464 4.793 6.224 1.00 0.31 C ATOM 1198 C HIS A2126 0.969 3.469 6.792 1.00 0.29 C ATOM 1199 O HIS A2126 2.168 3.187 6.760 1.00 0.32 O ATOM 1200 CB HIS A2126 0.509 5.870 7.308 1.00 0.45 C ATOM 1201 CG HIS A2126 1.870 6.085 7.898 1.00 0.58 C ATOM 1202 ND1 HIS A2126 2.817 6.916 7.337 1.00 0.65 N ATOM 1203 CD2 HIS A2126 2.444 5.564 9.006 1.00 0.71 C ATOM 1204 CE1 HIS A2126 3.911 6.892 8.074 1.00 0.77 C ATOM 1205 NE2 HIS A2126 3.711 6.080 9.093 1.00 0.80 N ATOM 0 H HIS A2126 -1.600 5.174 6.232 1.00 0.23 H new ATOM 0 HA HIS A2126 1.118 5.072 5.398 1.00 0.31 H new ATOM 0 HB2 HIS A2126 0.154 6.810 6.886 1.00 0.45 H new ATOM 0 HB3 HIS A2126 -0.182 5.598 8.105 1.00 0.45 H new ATOM 0 HD2 HIS A2126 1.988 4.869 9.696 1.00 0.71 H new ATOM 0 HE1 HIS A2126 4.818 7.444 7.876 1.00 0.77 H new ATOM 0 HE2 HIS A2126 4.388 5.870 9.826 1.00 0.80 H new ATOM 1214 N ALA A2127 0.061 2.667 7.320 1.00 0.28 N ATOM 1215 CA ALA A2127 0.439 1.399 7.924 1.00 0.29 C ATOM 1216 C ALA A2127 0.967 0.440 6.870 1.00 0.26 C ATOM 1217 O ALA A2127 1.947 -0.275 7.099 1.00 0.30 O ATOM 1218 CB ALA A2127 -0.738 0.797 8.661 1.00 0.34 C ATOM 0 H ALA A2127 -0.939 2.869 7.344 1.00 0.28 H new ATOM 0 HA ALA A2127 1.237 1.581 8.644 1.00 0.29 H new ATOM 0 HB1 ALA A2127 -0.441 -0.152 9.108 1.00 0.34 H new ATOM 0 HB2 ALA A2127 -1.065 1.481 9.444 1.00 0.34 H new ATOM 0 HB3 ALA A2127 -1.557 0.628 7.962 1.00 0.34 H new ATOM 1224 N LEU A2128 0.318 0.433 5.713 1.00 0.22 N ATOM 1225 CA LEU A2128 0.802 -0.327 4.576 1.00 0.21 C ATOM 1226 C LEU A2128 2.154 0.198 4.121 1.00 0.21 C ATOM 1227 O LEU A2128 3.021 -0.579 3.719 1.00 0.23 O ATOM 1228 CB LEU A2128 -0.195 -0.270 3.427 1.00 0.21 C ATOM 1229 CG LEU A2128 -1.483 -1.047 3.659 1.00 0.37 C ATOM 1230 CD1 LEU A2128 -2.386 -0.928 2.446 1.00 0.60 C ATOM 1231 CD2 LEU A2128 -1.171 -2.505 3.957 1.00 0.64 C ATOM 0 H LEU A2128 -0.546 0.947 5.540 1.00 0.22 H new ATOM 0 HA LEU A2128 0.916 -1.366 4.886 1.00 0.21 H new ATOM 0 HB2 LEU A2128 -0.446 0.773 3.234 1.00 0.21 H new ATOM 0 HB3 LEU A2128 0.287 -0.653 2.527 1.00 0.21 H new ATOM 0 HG LEU A2128 -2.002 -0.626 4.520 1.00 0.37 H new ATOM 0 HD11 LEU A2128 -3.305 -1.487 2.621 1.00 0.60 H new ATOM 0 HD12 LEU A2128 -2.626 0.121 2.273 1.00 0.60 H new ATOM 0 HD13 LEU A2128 -1.876 -1.332 1.572 1.00 0.60 H new ATOM 0 HD21 LEU A2128 -2.101 -3.050 4.121 1.00 0.64 H new ATOM 0 HD22 LEU A2128 -0.638 -2.943 3.113 1.00 0.64 H new ATOM 0 HD23 LEU A2128 -0.550 -2.569 4.851 1.00 0.64 H new ATOM 1243 N THR A2129 2.327 1.520 4.193 1.00 0.21 N ATOM 1244 CA THR A2129 3.611 2.138 3.903 1.00 0.24 C ATOM 1245 C THR A2129 4.702 1.473 4.717 1.00 0.25 C ATOM 1246 O THR A2129 5.697 1.013 4.178 1.00 0.33 O ATOM 1247 CB THR A2129 3.602 3.652 4.214 1.00 0.27 C ATOM 1248 OG1 THR A2129 2.567 4.300 3.462 1.00 0.27 O ATOM 1249 CG2 THR A2129 4.954 4.293 3.903 1.00 0.32 C ATOM 0 H THR A2129 1.591 2.178 4.450 1.00 0.21 H new ATOM 0 HA THR A2129 3.802 2.007 2.838 1.00 0.24 H new ATOM 0 HB THR A2129 3.408 3.776 5.279 1.00 0.27 H new ATOM 0 HG1 THR A2129 1.700 3.904 3.690 1.00 0.27 H new ATOM 0 HG21 THR A2129 4.913 5.358 4.133 1.00 0.32 H new ATOM 0 HG22 THR A2129 5.728 3.821 4.507 1.00 0.32 H new ATOM 0 HG23 THR A2129 5.186 4.159 2.846 1.00 0.32 H new ATOM 1257 N GLN A2130 4.477 1.405 6.013 1.00 0.25 N ATOM 1258 CA GLN A2130 5.422 0.802 6.934 1.00 0.28 C ATOM 1259 C GLN A2130 5.613 -0.683 6.662 1.00 0.23 C ATOM 1260 O GLN A2130 6.745 -1.170 6.644 1.00 0.22 O ATOM 1261 CB GLN A2130 4.923 1.013 8.352 1.00 0.38 C ATOM 1262 CG GLN A2130 4.758 2.475 8.702 1.00 0.52 C ATOM 1263 CD GLN A2130 6.037 3.085 9.231 1.00 1.39 C ATOM 1264 OE1 GLN A2130 6.843 2.409 9.871 1.00 2.22 O ATOM 1265 NE2 GLN A2130 6.245 4.358 8.953 1.00 1.90 N ATOM 0 H GLN A2130 3.634 1.766 6.459 1.00 0.25 H new ATOM 0 HA GLN A2130 6.392 1.280 6.797 1.00 0.28 H new ATOM 0 HB2 GLN A2130 3.967 0.504 8.476 1.00 0.38 H new ATOM 0 HB3 GLN A2130 5.622 0.553 9.051 1.00 0.38 H new ATOM 0 HG2 GLN A2130 4.435 3.024 7.818 1.00 0.52 H new ATOM 0 HG3 GLN A2130 3.971 2.581 9.449 1.00 0.52 H new ATOM 0 HE21 GLN A2130 5.552 4.883 8.420 1.00 1.90 H new ATOM 0 HE22 GLN A2130 7.099 4.817 9.271 1.00 1.90 H new ATOM 1274 N HIS A2131 4.514 -1.397 6.446 1.00 0.25 N ATOM 1275 CA HIS A2131 4.590 -2.830 6.187 1.00 0.27 C ATOM 1276 C HIS A2131 5.456 -3.098 4.970 1.00 0.26 C ATOM 1277 O HIS A2131 6.476 -3.777 5.064 1.00 0.30 O ATOM 1278 CB HIS A2131 3.201 -3.439 5.971 1.00 0.32 C ATOM 1279 CG HIS A2131 3.246 -4.910 5.660 1.00 0.40 C ATOM 1280 ND1 HIS A2131 2.849 -5.593 4.562 1.00 0.52 N flip ATOM 1281 CD2 HIS A2131 3.798 -5.848 6.506 1.00 0.42 C flip ATOM 1282 CE1 HIS A2131 3.173 -6.912 4.758 1.00 0.59 C flip ATOM 1283 NE2 HIS A2131 3.747 -7.039 5.937 1.00 0.53 N flip ATOM 0 H HIS A2131 3.569 -1.012 6.445 1.00 0.25 H new ATOM 0 HA HIS A2131 5.035 -3.299 7.065 1.00 0.27 H new ATOM 0 HB2 HIS A2131 2.598 -3.281 6.865 1.00 0.32 H new ATOM 0 HB3 HIS A2131 2.704 -2.916 5.154 1.00 0.32 H new ATOM 0 HD2 HIS A2131 4.209 -5.641 7.483 1.00 0.42 H new ATOM 0 HE1 HIS A2131 2.988 -7.715 4.060 1.00 0.59 H new ATOM 0 HE2 HIS A2131 4.093 -7.909 6.342 1.00 0.53 H new ATOM 1292 N LEU A2132 5.056 -2.543 3.836 1.00 0.27 N ATOM 1293 CA LEU A2132 5.782 -2.765 2.594 1.00 0.33 C ATOM 1294 C LEU A2132 7.179 -2.167 2.666 1.00 0.35 C ATOM 1295 O LEU A2132 8.110 -2.705 2.077 1.00 0.47 O ATOM 1296 CB LEU A2132 5.022 -2.207 1.385 1.00 0.36 C ATOM 1297 CG LEU A2132 3.904 -3.105 0.828 1.00 0.42 C ATOM 1298 CD1 LEU A2132 4.424 -4.509 0.540 1.00 0.48 C ATOM 1299 CD2 LEU A2132 2.718 -3.155 1.778 1.00 0.42 C ATOM 0 H LEU A2132 4.238 -1.939 3.749 1.00 0.27 H new ATOM 0 HA LEU A2132 5.872 -3.843 2.461 1.00 0.33 H new ATOM 0 HB2 LEU A2132 4.587 -1.247 1.664 1.00 0.36 H new ATOM 0 HB3 LEU A2132 5.738 -2.013 0.587 1.00 0.36 H new ATOM 0 HG LEU A2132 3.565 -2.669 -0.112 1.00 0.42 H new ATOM 0 HD11 LEU A2132 3.614 -5.124 0.147 1.00 0.48 H new ATOM 0 HD12 LEU A2132 5.228 -4.456 -0.194 1.00 0.48 H new ATOM 0 HD13 LEU A2132 4.802 -4.953 1.461 1.00 0.48 H new ATOM 0 HD21 LEU A2132 1.943 -3.797 1.359 1.00 0.42 H new ATOM 0 HD22 LEU A2132 3.039 -3.554 2.740 1.00 0.42 H new ATOM 0 HD23 LEU A2132 2.321 -2.150 1.917 1.00 0.42 H new ATOM 1311 N HIS A2133 7.334 -1.076 3.410 1.00 0.28 N ATOM 1312 CA HIS A2133 8.642 -0.458 3.573 1.00 0.34 C ATOM 1313 C HIS A2133 9.599 -1.440 4.225 1.00 0.38 C ATOM 1314 O HIS A2133 10.720 -1.620 3.763 1.00 0.55 O ATOM 1315 CB HIS A2133 8.531 0.815 4.413 1.00 0.36 C ATOM 1316 CG HIS A2133 9.821 1.545 4.607 1.00 0.47 C ATOM 1317 ND1 HIS A2133 10.407 1.731 5.837 1.00 0.59 N ATOM 1318 CD2 HIS A2133 10.613 2.178 3.717 1.00 0.53 C ATOM 1319 CE1 HIS A2133 11.501 2.452 5.694 1.00 0.67 C ATOM 1320 NE2 HIS A2133 11.652 2.738 4.415 1.00 0.63 N ATOM 0 H HIS A2133 6.576 -0.606 3.905 1.00 0.28 H new ATOM 0 HA HIS A2133 9.028 -0.187 2.590 1.00 0.34 H new ATOM 0 HB2 HIS A2133 7.816 1.487 3.938 1.00 0.36 H new ATOM 0 HB3 HIS A2133 8.124 0.556 5.391 1.00 0.36 H new ATOM 0 HD2 HIS A2133 10.457 2.234 2.650 1.00 0.53 H new ATOM 0 HE1 HIS A2133 12.163 2.758 6.491 1.00 0.67 H new ATOM 0 HE2 HIS A2133 12.414 3.284 4.013 1.00 0.63 H new ATOM 1329 N THR A2134 9.125 -2.095 5.277 1.00 0.32 N ATOM 1330 CA THR A2134 9.914 -3.086 5.985 1.00 0.43 C ATOM 1331 C THR A2134 10.180 -4.293 5.085 1.00 0.51 C ATOM 1332 O THR A2134 11.242 -4.903 5.147 1.00 0.66 O ATOM 1333 CB THR A2134 9.193 -3.543 7.268 1.00 0.55 C ATOM 1334 OG1 THR A2134 8.718 -2.397 7.988 1.00 0.59 O ATOM 1335 CG2 THR A2134 10.124 -4.349 8.160 1.00 0.74 C ATOM 0 H THR A2134 8.190 -1.954 5.659 1.00 0.32 H new ATOM 0 HA THR A2134 10.864 -2.629 6.262 1.00 0.43 H new ATOM 0 HB THR A2134 8.354 -4.177 6.981 1.00 0.55 H new ATOM 0 HG1 THR A2134 7.845 -2.127 7.634 1.00 0.59 H new ATOM 0 HG21 THR A2134 9.590 -4.659 9.058 1.00 0.74 H new ATOM 0 HG22 THR A2134 10.470 -5.231 7.622 1.00 0.74 H new ATOM 0 HG23 THR A2134 10.980 -3.736 8.441 1.00 0.74 H new ATOM 1343 N ARG A2135 9.214 -4.612 4.231 1.00 0.52 N ATOM 1344 CA ARG A2135 9.351 -5.722 3.295 1.00 0.71 C ATOM 1345 C ARG A2135 10.514 -5.474 2.335 1.00 0.88 C ATOM 1346 O ARG A2135 11.231 -6.395 1.945 1.00 1.12 O ATOM 1347 CB ARG A2135 8.063 -5.898 2.495 1.00 0.76 C ATOM 1348 CG ARG A2135 6.844 -6.181 3.354 1.00 0.74 C ATOM 1349 CD ARG A2135 6.962 -7.499 4.100 1.00 0.86 C ATOM 1350 NE ARG A2135 7.956 -7.474 5.173 1.00 1.75 N ATOM 1351 CZ ARG A2135 8.864 -8.431 5.374 1.00 2.11 C ATOM 1352 NH1 ARG A2135 8.956 -9.455 4.534 1.00 1.86 N ATOM 1353 NH2 ARG A2135 9.682 -8.357 6.419 1.00 3.18 N ATOM 0 H ARG A2135 8.325 -4.116 4.167 1.00 0.52 H new ATOM 0 HA ARG A2135 9.549 -6.628 3.867 1.00 0.71 H new ATOM 0 HB2 ARG A2135 7.883 -4.996 1.910 1.00 0.76 H new ATOM 0 HB3 ARG A2135 8.195 -6.716 1.787 1.00 0.76 H new ATOM 0 HG2 ARG A2135 6.710 -5.371 4.070 1.00 0.74 H new ATOM 0 HG3 ARG A2135 5.954 -6.200 2.725 1.00 0.74 H new ATOM 0 HD2 ARG A2135 5.990 -7.757 4.521 1.00 0.86 H new ATOM 0 HD3 ARG A2135 7.222 -8.286 3.392 1.00 0.86 H new ATOM 0 HE ARG A2135 7.955 -6.675 5.807 1.00 1.75 H new ATOM 0 HH11 ARG A2135 8.331 -9.513 3.730 1.00 1.86 H new ATOM 0 HH12 ARG A2135 9.652 -10.184 4.692 1.00 1.86 H new ATOM 0 HH21 ARG A2135 9.615 -7.570 7.065 1.00 3.18 H new ATOM 0 HH22 ARG A2135 10.377 -9.087 6.575 1.00 3.18 H new ATOM 1367 N LEU A2136 10.693 -4.212 1.976 1.00 0.92 N ATOM 1368 CA LEU A2136 11.685 -3.808 1.000 1.00 1.20 C ATOM 1369 C LEU A2136 13.036 -3.529 1.664 1.00 1.16 C ATOM 1370 O LEU A2136 14.088 -3.776 1.073 1.00 1.43 O ATOM 1371 CB LEU A2136 11.171 -2.563 0.273 1.00 1.43 C ATOM 1372 CG LEU A2136 9.801 -2.724 -0.386 1.00 1.71 C ATOM 1373 CD1 LEU A2136 9.152 -1.366 -0.589 1.00 2.17 C ATOM 1374 CD2 LEU A2136 9.929 -3.460 -1.716 1.00 2.37 C ATOM 0 H LEU A2136 10.150 -3.438 2.357 1.00 0.92 H new ATOM 0 HA LEU A2136 11.841 -4.617 0.286 1.00 1.20 H new ATOM 0 HB2 LEU A2136 11.121 -1.739 0.985 1.00 1.43 H new ATOM 0 HB3 LEU A2136 11.895 -2.281 -0.491 1.00 1.43 H new ATOM 0 HG LEU A2136 9.167 -3.317 0.273 1.00 1.71 H new ATOM 0 HD11 LEU A2136 8.177 -1.495 -1.059 1.00 2.17 H new ATOM 0 HD12 LEU A2136 9.027 -0.874 0.376 1.00 2.17 H new ATOM 0 HD13 LEU A2136 9.785 -0.752 -1.230 1.00 2.17 H new ATOM 0 HD21 LEU A2136 8.944 -3.565 -2.170 1.00 2.37 H new ATOM 0 HD22 LEU A2136 10.578 -2.894 -2.384 1.00 2.37 H new ATOM 0 HD23 LEU A2136 10.357 -4.448 -1.545 1.00 2.37 H new ATOM 1386 N THR A2137 13.005 -3.026 2.899 1.00 0.96 N ATOM 1387 CA THR A2137 14.229 -2.703 3.625 1.00 1.08 C ATOM 1388 C THR A2137 14.875 -3.953 4.216 1.00 1.17 C ATOM 1389 O THR A2137 16.092 -3.996 4.420 1.00 1.41 O ATOM 1390 CB THR A2137 13.965 -1.685 4.754 1.00 1.13 C ATOM 1391 OG1 THR A2137 12.883 -2.133 5.579 1.00 1.23 O ATOM 1392 CG2 THR A2137 13.645 -0.311 4.184 1.00 1.15 C ATOM 0 H THR A2137 12.146 -2.835 3.415 1.00 0.96 H new ATOM 0 HA THR A2137 14.912 -2.260 2.901 1.00 1.08 H new ATOM 0 HB THR A2137 14.869 -1.606 5.358 1.00 1.13 H new ATOM 0 HG1 THR A2137 12.724 -1.481 6.293 1.00 1.23 H new ATOM 0 HG21 THR A2137 13.463 0.388 5.000 1.00 1.15 H new ATOM 0 HG22 THR A2137 14.486 0.040 3.586 1.00 1.15 H new ATOM 0 HG23 THR A2137 12.756 -0.375 3.556 1.00 1.15 H new ATOM 1400 N GLN A2138 14.057 -4.968 4.477 1.00 1.17 N ATOM 1401 CA GLN A2138 14.532 -6.234 5.017 1.00 1.45 C ATOM 1402 C GLN A2138 15.471 -6.938 4.047 1.00 1.71 C ATOM 1403 O GLN A2138 16.202 -7.854 4.423 1.00 2.00 O ATOM 1404 CB GLN A2138 13.344 -7.131 5.345 1.00 1.78 C ATOM 1405 CG GLN A2138 12.865 -7.003 6.781 1.00 1.32 C ATOM 1406 CD GLN A2138 13.890 -7.500 7.783 1.00 1.91 C ATOM 1407 OE1 GLN A2138 13.901 -8.678 8.145 1.00 2.46 O ATOM 1408 NE2 GLN A2138 14.757 -6.612 8.238 1.00 2.57 N ATOM 0 H GLN A2138 13.050 -4.935 4.320 1.00 1.17 H new ATOM 0 HA GLN A2138 15.094 -6.026 5.928 1.00 1.45 H new ATOM 0 HB2 GLN A2138 12.520 -6.890 4.673 1.00 1.78 H new ATOM 0 HB3 GLN A2138 13.618 -8.168 5.153 1.00 1.78 H new ATOM 0 HG2 GLN A2138 12.633 -5.959 6.991 1.00 1.32 H new ATOM 0 HG3 GLN A2138 11.940 -7.566 6.903 1.00 1.32 H new ATOM 0 HE21 GLN A2138 14.715 -5.646 7.914 1.00 2.57 H new ATOM 0 HE22 GLN A2138 15.468 -6.893 8.913 1.00 2.57 H new ATOM 1417 N SER A2139 15.444 -6.512 2.798 1.00 1.82 N ATOM 1418 CA SER A2139 16.363 -7.024 1.808 1.00 2.34 C ATOM 1419 C SER A2139 17.604 -6.136 1.754 1.00 2.85 C ATOM 1420 O SER A2139 17.731 -5.261 0.891 1.00 3.41 O ATOM 1421 CB SER A2139 15.679 -7.102 0.447 1.00 2.99 C ATOM 1422 OG SER A2139 16.567 -7.556 -0.563 1.00 3.48 O ATOM 0 H SER A2139 14.792 -5.810 2.448 1.00 1.82 H new ATOM 0 HA SER A2139 16.673 -8.032 2.084 1.00 2.34 H new ATOM 0 HB2 SER A2139 14.823 -7.774 0.508 1.00 2.99 H new ATOM 0 HB3 SER A2139 15.293 -6.119 0.177 1.00 2.99 H new ATOM 0 HG SER A2139 16.613 -6.891 -1.281 1.00 3.48 H new ATOM 1428 N HIS A2140 18.495 -6.336 2.712 1.00 3.20 N ATOM 1429 CA HIS A2140 19.750 -5.605 2.755 1.00 4.12 C ATOM 1430 C HIS A2140 20.828 -6.407 2.040 1.00 4.36 C ATOM 1431 O HIS A2140 21.435 -7.287 2.679 1.00 4.66 O ATOM 1432 CB HIS A2140 20.156 -5.317 4.202 1.00 4.76 C ATOM 1433 CG HIS A2140 21.411 -4.503 4.343 1.00 5.33 C ATOM 1434 ND1 HIS A2140 21.406 -3.155 4.627 1.00 6.07 N ATOM 1435 CD2 HIS A2140 22.715 -4.857 4.246 1.00 5.72 C ATOM 1436 CE1 HIS A2140 22.648 -2.717 4.693 1.00 6.78 C ATOM 1437 NE2 HIS A2140 23.461 -3.730 4.466 1.00 6.61 N ATOM 1438 OXT HIS A2140 21.053 -6.164 0.839 1.00 4.63 O ATOM 0 H HIS A2140 18.370 -7.003 3.474 1.00 3.20 H new ATOM 0 HA HIS A2140 19.625 -4.648 2.248 1.00 4.12 H new ATOM 0 HB2 HIS A2140 19.339 -4.793 4.698 1.00 4.76 H new ATOM 0 HB3 HIS A2140 20.291 -6.264 4.724 1.00 4.76 H new ATOM 0 HD2 HIS A2140 23.096 -5.845 4.034 1.00 5.72 H new ATOM 0 HE1 HIS A2140 22.949 -1.700 4.898 1.00 6.78 H new ATOM 0 HE2 HIS A2140 24.480 -3.682 4.456 1.00 6.61 H new TER 1447 HIS A2140 HETATM 1448 P24 66S A2201 -16.428 -9.213 1.805 1.00 1.26 P HETATM 1449 O26 66S A2201 -16.042 -10.459 1.110 1.00 2.02 O HETATM 1450 O23 66S A2201 -16.339 -9.389 3.273 1.00 2.14 O HETATM 1451 O27 66S A2201 -17.877 -8.693 1.358 1.00 1.51 O HETATM 1452 C28 66S A2201 -18.534 -9.338 0.217 1.00 1.76 C HETATM 1453 C29 66S A2201 -19.635 -10.337 0.721 1.00 2.58 C HETATM 1454 C30 66S A2201 -18.976 -11.482 1.500 1.00 3.17 C HETATM 1455 C31 66S A2201 -20.364 -10.928 -0.491 1.00 3.36 C HETATM 1456 C32 66S A2201 -20.680 -9.611 1.645 1.00 3.14 C HETATM 1457 O33 66S A2201 -20.122 -9.420 2.948 1.00 3.66 O HETATM 1458 C34 66S A2201 -21.092 -8.240 1.097 1.00 3.77 C HETATM 1459 O35 66S A2201 -21.124 -7.963 -0.092 1.00 4.48 O HETATM 1460 N36 66S A2201 -21.422 -7.346 2.035 1.00 3.99 N HETATM 1461 C37 66S A2201 -21.410 -5.902 1.784 1.00 4.65 C HETATM 1462 C38 66S A2201 -21.099 -5.103 3.061 1.00 5.05 C HETATM 1463 C39 66S A2201 -20.124 -3.991 2.754 1.00 5.31 C HETATM 1464 O40 66S A2201 -20.397 -3.046 2.034 1.00 6.12 O HETATM 1465 N41 66S A2201 -18.927 -4.110 3.338 1.00 4.83 N HETATM 1466 C42 66S A2201 -17.981 -5.177 2.988 1.00 4.77 C HETATM 1467 C43 66S A2201 -16.533 -4.670 2.988 1.00 4.00 C HETATM 1468 S1 66S A2201 -16.408 -2.976 3.633 1.00 3.68 S HETATM 1469 C1 66S A2201 -15.965 -3.312 5.289 1.00 3.22 C HETATM 1470 O1 66S A2201 -16.794 -3.465 6.162 1.00 3.95 O HETATM 1471 C2 66S A2201 -14.485 -3.393 5.537 1.00 2.52 C HETATM 1472 C3 66S A2201 -14.089 -4.832 5.888 1.00 2.11 C HETATM 1473 C4 66S A2201 -13.402 -4.884 7.266 1.00 1.89 C HETATM 1474 C5 66S A2201 -12.344 -5.997 7.278 1.00 1.41 C HETATM 1475 C6 66S A2201 -10.929 -5.394 7.376 1.00 1.16 C HETATM 1476 C7 66S A2201 -10.442 -4.930 5.993 1.00 1.33 C HETATM 1477 C8 66S A2201 -10.396 -3.413 5.950 1.00 1.42 C