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: A2126 HIS : no HD1:sc= 0.347 K(o=-0.35,f=-6.5!) USER MOD Set 1.2: A2130 GLN : amide:sc= -0.7 K(o=-0.35,f=-3.6!) USER MOD Set 2.1: A2077 HIS : no HD1:sc= -0.648 K(o=0.67,f=-9.8!) USER MOD Set 2.2: A2079 THR OG1 : rot 94:sc= 1.32 USER MOD Set 3.1: A2058 GLN : amide:sc= -0.781 K(o=-0.79,f=-5.3!) USER MOD Set 3.2: A2061 GLN : amide:sc= -0.0142 X(o=-0.79,f=-0.77) USER MOD Set 4.1: A2059 GLN : amide:sc= -0.284 K(o=-0.5,f=-1.5) USER MOD Set 4.2: A2133 HIS : no HD1:sc= -0.214 K(o=-0.5,f=-1.3) USER MOD Single : A2047 SER OG : rot -150:sc= 0 USER MOD Single : A2048 HIS : no HD1:sc= -0.0484 X(o=-0.048,f=0) USER MOD Single : A2049 MET CE :methyl 175:sc= -3.97! (180deg=-4.18!) USER MOD Single : A2052 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A2055 SER OG : rot 180:sc= 0 USER MOD Single : A2057 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2060 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A2062 THR OG1 : rot 81:sc= -0.566 USER MOD Single : A2065 THR OG1 : rot 93:sc= 1.27 USER MOD Single : A2071 THR OG1 : rot 180:sc= -0.0238 USER MOD Single : A2073 THR OG1 : rot 49:sc= 1.14 USER MOD Single : A2078 HIS :FLIP no HE2:sc= 0.334 F(o=-2.7!,f=0.33) USER MOD Single : A2082 SER OG : rot -37:sc= 0.841 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 180:sc= 0.54 USER MOD Single : A2104 ASN : amide:sc= -1.52! C(o=-1.5!,f=-1.4!) USER MOD Single : A2105 THR OG1 : rot 71:sc= 0.293 USER MOD Single : A2107 THR OG1 : rot 89:sc= 1.13 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= 0.748 K(o=0.75,f=-0.35) USER MOD Single : A2110 THR OG1 : rot -73:sc= 1.19 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A2122 HIS :FLIP no HE2:sc= -0.673 F(o=-1.6,f=-0.67) USER MOD Single : A2124 THR OG1 : rot -170:sc= -2.28! USER MOD Single : A2129 THR OG1 : rot 69:sc= 0.3 USER MOD Single : A2131 HIS : no HD1:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A2134 THR OG1 : rot 70:sc= 1.28 USER MOD Single : A2137 THR OG1 : rot 168:sc= -2.38! USER MOD Single : A2138 GLN : amide:sc= -0.199 K(o=-0.2,f=-0.7) USER MOD Single : A2139 SER OG : rot 39:sc= 0.37 USER MOD Single : A2140 HIS : no HD1:sc= -0.237 K(o=-0.24,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A2046 17.608 -9.474 -2.521 1.00 6.58 N ATOM 2 CA GLY A2046 16.442 -8.859 -1.845 1.00 6.00 C ATOM 3 C GLY A2046 16.017 -7.578 -2.519 1.00 4.95 C ATOM 4 O GLY A2046 16.730 -7.058 -3.376 1.00 5.03 O ATOM 0 HA2 GLY A2046 15.610 -9.563 -1.843 1.00 6.00 H new ATOM 0 HA3 GLY A2046 16.690 -8.657 -0.803 1.00 6.00 H new ATOM 10 N SER A2047 14.871 -7.059 -2.127 1.00 4.27 N ATOM 11 CA SER A2047 14.309 -5.885 -2.765 1.00 3.35 C ATOM 12 C SER A2047 14.950 -4.602 -2.233 1.00 3.13 C ATOM 13 O SER A2047 14.843 -4.280 -1.051 1.00 3.47 O ATOM 14 CB SER A2047 12.800 -5.861 -2.537 1.00 3.02 C ATOM 15 OG SER A2047 12.210 -7.089 -2.936 1.00 3.54 O ATOM 0 H SER A2047 14.307 -7.435 -1.364 1.00 4.27 H new ATOM 0 HA SER A2047 14.516 -5.936 -3.834 1.00 3.35 H new ATOM 0 HB2 SER A2047 12.590 -5.677 -1.483 1.00 3.02 H new ATOM 0 HB3 SER A2047 12.356 -5.039 -3.099 1.00 3.02 H new ATOM 0 HG SER A2047 11.292 -6.928 -3.239 1.00 3.54 H new ATOM 21 N HIS A2048 15.641 -3.890 -3.110 1.00 3.12 N ATOM 22 CA HIS A2048 16.169 -2.568 -2.787 1.00 3.29 C ATOM 23 C HIS A2048 15.493 -1.539 -3.679 1.00 2.68 C ATOM 24 O HIS A2048 15.994 -0.434 -3.869 1.00 3.15 O ATOM 25 CB HIS A2048 17.689 -2.493 -2.980 1.00 4.29 C ATOM 26 CG HIS A2048 18.484 -3.373 -2.068 1.00 5.00 C ATOM 27 ND1 HIS A2048 19.799 -3.701 -2.299 1.00 5.92 N ATOM 28 CD2 HIS A2048 18.147 -3.974 -0.909 1.00 5.21 C ATOM 29 CE1 HIS A2048 20.238 -4.467 -1.322 1.00 6.67 C ATOM 30 NE2 HIS A2048 19.255 -4.651 -0.461 1.00 6.28 N ATOM 0 H HIS A2048 15.851 -4.206 -4.057 1.00 3.12 H new ATOM 0 HA HIS A2048 15.961 -2.366 -1.736 1.00 3.29 H new ATOM 0 HB2 HIS A2048 17.923 -2.757 -4.011 1.00 4.29 H new ATOM 0 HB3 HIS A2048 18.009 -1.461 -2.835 1.00 4.29 H new ATOM 0 HD2 HIS A2048 17.184 -3.931 -0.423 1.00 5.21 H new ATOM 0 HE1 HIS A2048 21.234 -4.876 -1.239 1.00 6.67 H new ATOM 0 HE2 HIS A2048 19.309 -5.204 0.395 1.00 6.28 H new ATOM 39 N MET A2049 14.338 -1.935 -4.205 1.00 2.16 N ATOM 40 CA MET A2049 13.599 -1.172 -5.213 1.00 2.54 C ATOM 41 C MET A2049 13.456 0.308 -4.887 1.00 3.09 C ATOM 42 O MET A2049 13.579 1.160 -5.763 1.00 3.75 O ATOM 43 CB MET A2049 12.214 -1.781 -5.419 1.00 2.76 C ATOM 44 CG MET A2049 11.419 -1.915 -4.138 1.00 2.18 C ATOM 45 SD MET A2049 9.648 -2.091 -4.428 1.00 2.91 S ATOM 46 CE MET A2049 9.057 -2.414 -2.769 1.00 2.37 C ATOM 0 H MET A2049 13.880 -2.807 -3.941 1.00 2.16 H new ATOM 0 HA MET A2049 14.190 -1.234 -6.127 1.00 2.54 H new ATOM 0 HB2 MET A2049 11.655 -1.164 -6.122 1.00 2.76 H new ATOM 0 HB3 MET A2049 12.322 -2.765 -5.875 1.00 2.76 H new ATOM 0 HG2 MET A2049 11.779 -2.780 -3.582 1.00 2.18 H new ATOM 0 HG3 MET A2049 11.595 -1.039 -3.514 1.00 2.18 H new ATOM 0 HE1 MET A2049 7.968 -2.457 -2.773 1.00 2.37 H new ATOM 0 HE2 MET A2049 9.457 -3.366 -2.419 1.00 2.37 H new ATOM 0 HE3 MET A2049 9.386 -1.616 -2.104 1.00 2.37 H new ATOM 56 N ARG A2050 13.194 0.609 -3.637 1.00 3.38 N ATOM 57 CA ARG A2050 12.924 1.981 -3.239 1.00 4.33 C ATOM 58 C ARG A2050 14.096 2.567 -2.463 1.00 4.19 C ATOM 59 O ARG A2050 14.004 3.658 -1.920 1.00 4.88 O ATOM 60 CB ARG A2050 11.641 2.062 -2.409 1.00 5.36 C ATOM 61 CG ARG A2050 10.417 1.513 -3.122 1.00 6.15 C ATOM 62 CD ARG A2050 10.087 2.310 -4.368 1.00 6.73 C ATOM 63 NE ARG A2050 8.980 1.716 -5.121 1.00 7.76 N ATOM 64 CZ ARG A2050 8.211 2.395 -5.973 1.00 8.52 C ATOM 65 NH1 ARG A2050 8.452 3.677 -6.217 1.00 8.48 N ATOM 66 NH2 ARG A2050 7.215 1.782 -6.606 1.00 9.54 N ATOM 0 H ARG A2050 13.161 -0.070 -2.877 1.00 3.38 H new ATOM 0 HA ARG A2050 12.788 2.570 -4.146 1.00 4.33 H new ATOM 0 HB2 ARG A2050 11.785 1.513 -1.479 1.00 5.36 H new ATOM 0 HB3 ARG A2050 11.458 3.102 -2.140 1.00 5.36 H new ATOM 0 HG2 ARG A2050 10.590 0.471 -3.392 1.00 6.15 H new ATOM 0 HG3 ARG A2050 9.564 1.529 -2.444 1.00 6.15 H new ATOM 0 HD2 ARG A2050 9.828 3.331 -4.088 1.00 6.73 H new ATOM 0 HD3 ARG A2050 10.969 2.368 -5.005 1.00 6.73 H new ATOM 0 HE ARG A2050 8.786 0.724 -4.986 1.00 7.76 H new ATOM 0 HH11 ARG A2050 9.228 4.147 -5.752 1.00 8.48 H new ATOM 0 HH12 ARG A2050 7.861 4.192 -6.870 1.00 8.48 H new ATOM 0 HH21 ARG A2050 7.038 0.791 -6.440 1.00 9.54 H new ATOM 0 HH22 ARG A2050 6.628 2.303 -7.257 1.00 9.54 H new ATOM 80 N LEU A2051 15.194 1.827 -2.409 1.00 3.64 N ATOM 81 CA LEU A2051 16.382 2.269 -1.685 1.00 3.84 C ATOM 82 C LEU A2051 17.298 3.068 -2.600 1.00 3.17 C ATOM 83 O LEU A2051 18.258 3.694 -2.149 1.00 3.42 O ATOM 84 CB LEU A2051 17.143 1.075 -1.097 1.00 4.74 C ATOM 85 CG LEU A2051 16.604 0.529 0.230 1.00 5.66 C ATOM 86 CD1 LEU A2051 15.176 0.037 0.086 1.00 6.21 C ATOM 87 CD2 LEU A2051 17.496 -0.588 0.744 1.00 6.31 C ATOM 0 H LEU A2051 15.289 0.916 -2.858 1.00 3.64 H new ATOM 0 HA LEU A2051 16.055 2.908 -0.865 1.00 3.84 H new ATOM 0 HB2 LEU A2051 17.137 0.268 -1.830 1.00 4.74 H new ATOM 0 HB3 LEU A2051 18.183 1.367 -0.953 1.00 4.74 H new ATOM 0 HG LEU A2051 16.607 1.345 0.952 1.00 5.66 H new ATOM 0 HD11 LEU A2051 14.824 -0.344 1.045 1.00 6.21 H new ATOM 0 HD12 LEU A2051 14.538 0.861 -0.234 1.00 6.21 H new ATOM 0 HD13 LEU A2051 15.139 -0.760 -0.657 1.00 6.21 H new ATOM 0 HD21 LEU A2051 17.100 -0.965 1.687 1.00 6.31 H new ATOM 0 HD22 LEU A2051 17.525 -1.396 0.013 1.00 6.31 H new ATOM 0 HD23 LEU A2051 18.504 -0.205 0.901 1.00 6.31 H new ATOM 99 N ASN A2052 16.996 3.037 -3.888 1.00 2.84 N ATOM 100 CA ASN A2052 17.764 3.782 -4.873 1.00 3.03 C ATOM 101 C ASN A2052 17.386 5.258 -4.816 1.00 2.88 C ATOM 102 O ASN A2052 16.236 5.621 -5.063 1.00 2.92 O ATOM 103 CB ASN A2052 17.498 3.211 -6.271 1.00 3.65 C ATOM 104 CG ASN A2052 18.137 4.016 -7.389 1.00 4.17 C ATOM 105 OD1 ASN A2052 19.187 4.636 -7.215 1.00 4.47 O ATOM 106 ND2 ASN A2052 17.502 4.007 -8.552 1.00 4.71 N ATOM 0 H ASN A2052 16.220 2.501 -4.277 1.00 2.84 H new ATOM 0 HA ASN A2052 18.827 3.689 -4.652 1.00 3.03 H new ATOM 0 HB2 ASN A2052 17.871 2.187 -6.313 1.00 3.65 H new ATOM 0 HB3 ASN A2052 16.422 3.166 -6.437 1.00 3.65 H new ATOM 0 HD21 ASN A2052 17.881 4.526 -9.344 1.00 4.71 H new ATOM 0 HD22 ASN A2052 16.634 3.481 -8.655 1.00 4.71 H new ATOM 113 N GLY A2053 18.355 6.097 -4.472 1.00 3.23 N ATOM 114 CA GLY A2053 18.128 7.532 -4.377 1.00 3.43 C ATOM 115 C GLY A2053 17.333 7.935 -3.142 1.00 2.89 C ATOM 116 O GLY A2053 17.525 9.024 -2.600 1.00 2.97 O ATOM 0 H GLY A2053 19.308 5.806 -4.254 1.00 3.23 H new ATOM 0 HA2 GLY A2053 19.090 8.045 -4.365 1.00 3.43 H new ATOM 0 HA3 GLY A2053 17.598 7.869 -5.268 1.00 3.43 H new ATOM 120 N LEU A2054 16.446 7.061 -2.694 1.00 2.44 N ATOM 121 CA LEU A2054 15.591 7.333 -1.559 1.00 2.06 C ATOM 122 C LEU A2054 16.199 6.852 -0.253 1.00 1.93 C ATOM 123 O LEU A2054 16.567 5.683 -0.111 1.00 2.10 O ATOM 124 CB LEU A2054 14.256 6.641 -1.774 1.00 1.96 C ATOM 125 CG LEU A2054 13.087 7.532 -2.178 1.00 2.68 C ATOM 126 CD1 LEU A2054 13.527 8.622 -3.140 1.00 3.19 C ATOM 127 CD2 LEU A2054 12.005 6.674 -2.796 1.00 3.31 C ATOM 0 H LEU A2054 16.301 6.142 -3.111 1.00 2.44 H new ATOM 0 HA LEU A2054 15.465 8.413 -1.485 1.00 2.06 H new ATOM 0 HB2 LEU A2054 14.386 5.879 -2.543 1.00 1.96 H new ATOM 0 HB3 LEU A2054 13.988 6.123 -0.853 1.00 1.96 H new ATOM 0 HG LEU A2054 12.697 8.028 -1.290 1.00 2.68 H new ATOM 0 HD11 LEU A2054 12.669 9.239 -3.408 1.00 3.19 H new ATOM 0 HD12 LEU A2054 14.286 9.243 -2.664 1.00 3.19 H new ATOM 0 HD13 LEU A2054 13.942 8.168 -4.040 1.00 3.19 H new ATOM 0 HD21 LEU A2054 11.164 7.303 -3.088 1.00 3.31 H new ATOM 0 HD22 LEU A2054 12.401 6.166 -3.675 1.00 3.31 H new ATOM 0 HD23 LEU A2054 11.669 5.933 -2.070 1.00 3.31 H new ATOM 139 N SER A2055 16.301 7.766 0.695 1.00 1.75 N ATOM 140 CA SER A2055 16.647 7.421 2.061 1.00 1.71 C ATOM 141 C SER A2055 15.453 6.713 2.708 1.00 1.44 C ATOM 142 O SER A2055 14.347 6.771 2.167 1.00 1.25 O ATOM 143 CB SER A2055 17.008 8.696 2.827 1.00 1.78 C ATOM 144 OG SER A2055 17.996 9.437 2.132 1.00 2.08 O ATOM 0 H SER A2055 16.147 8.762 0.541 1.00 1.75 H new ATOM 0 HA SER A2055 17.507 6.752 2.082 1.00 1.71 H new ATOM 0 HB2 SER A2055 16.117 9.308 2.964 1.00 1.78 H new ATOM 0 HB3 SER A2055 17.373 8.438 3.821 1.00 1.78 H new ATOM 0 HG SER A2055 18.212 10.249 2.637 1.00 2.08 H new ATOM 150 N PRO A2056 15.651 6.024 3.849 1.00 1.48 N ATOM 151 CA PRO A2056 14.578 5.296 4.541 1.00 1.29 C ATOM 152 C PRO A2056 13.249 6.057 4.596 1.00 1.09 C ATOM 153 O PRO A2056 12.203 5.512 4.235 1.00 0.87 O ATOM 154 CB PRO A2056 15.148 5.111 5.942 1.00 1.53 C ATOM 155 CG PRO A2056 16.615 4.984 5.724 1.00 1.78 C ATOM 156 CD PRO A2056 16.943 5.877 4.554 1.00 1.78 C ATOM 0 HA PRO A2056 14.326 4.369 4.025 1.00 1.29 H new ATOM 0 HB2 PRO A2056 14.912 5.960 6.583 1.00 1.53 H new ATOM 0 HB3 PRO A2056 14.739 4.224 6.425 1.00 1.53 H new ATOM 0 HG2 PRO A2056 17.169 5.287 6.613 1.00 1.78 H new ATOM 0 HG3 PRO A2056 16.890 3.950 5.514 1.00 1.78 H new ATOM 0 HD2 PRO A2056 17.331 6.841 4.883 1.00 1.78 H new ATOM 0 HD3 PRO A2056 17.701 5.431 3.911 1.00 1.78 H new ATOM 164 N GLN A2057 13.288 7.308 5.036 1.00 1.22 N ATOM 165 CA GLN A2057 12.083 8.109 5.163 1.00 1.17 C ATOM 166 C GLN A2057 11.539 8.556 3.805 1.00 1.01 C ATOM 167 O GLN A2057 10.328 8.696 3.634 1.00 0.95 O ATOM 168 CB GLN A2057 12.358 9.307 6.037 1.00 1.44 C ATOM 169 CG GLN A2057 11.143 9.736 6.813 1.00 1.66 C ATOM 170 CD GLN A2057 11.351 11.033 7.561 1.00 2.02 C ATOM 171 OE1 GLN A2057 11.110 12.115 7.028 1.00 2.32 O ATOM 172 NE2 GLN A2057 11.799 10.937 8.802 1.00 2.40 N ATOM 0 H GLN A2057 14.145 7.789 5.311 1.00 1.22 H new ATOM 0 HA GLN A2057 11.318 7.485 5.624 1.00 1.17 H new ATOM 0 HB2 GLN A2057 13.165 9.071 6.731 1.00 1.44 H new ATOM 0 HB3 GLN A2057 12.702 10.135 5.417 1.00 1.44 H new ATOM 0 HG2 GLN A2057 10.302 9.848 6.129 1.00 1.66 H new ATOM 0 HG3 GLN A2057 10.875 8.952 7.522 1.00 1.66 H new ATOM 0 HE21 GLN A2057 11.987 10.020 9.207 1.00 2.40 H new ATOM 0 HE22 GLN A2057 11.957 11.780 9.354 1.00 2.40 H new ATOM 181 N GLN A2058 12.432 8.767 2.837 1.00 1.07 N ATOM 182 CA GLN A2058 12.018 9.170 1.490 1.00 1.08 C ATOM 183 C GLN A2058 11.169 8.072 0.860 1.00 0.89 C ATOM 184 O GLN A2058 10.267 8.336 0.060 1.00 0.84 O ATOM 185 CB GLN A2058 13.230 9.452 0.594 1.00 1.36 C ATOM 186 CG GLN A2058 14.192 10.497 1.136 1.00 1.58 C ATOM 187 CD GLN A2058 13.628 11.905 1.124 1.00 1.86 C ATOM 188 OE1 GLN A2058 12.427 12.117 1.281 1.00 2.40 O ATOM 189 NE2 GLN A2058 14.496 12.880 0.913 1.00 2.23 N ATOM 0 H GLN A2058 13.440 8.667 2.958 1.00 1.07 H new ATOM 0 HA GLN A2058 11.435 10.087 1.579 1.00 1.08 H new ATOM 0 HB2 GLN A2058 13.775 8.521 0.440 1.00 1.36 H new ATOM 0 HB3 GLN A2058 12.874 9.778 -0.383 1.00 1.36 H new ATOM 0 HG2 GLN A2058 14.465 10.232 2.158 1.00 1.58 H new ATOM 0 HG3 GLN A2058 15.108 10.476 0.546 1.00 1.58 H new ATOM 0 HE21 GLN A2058 15.485 12.664 0.787 1.00 2.23 H new ATOM 0 HE22 GLN A2058 14.177 13.848 0.876 1.00 2.23 H new ATOM 198 N GLN A2059 11.483 6.834 1.215 1.00 0.87 N ATOM 199 CA GLN A2059 10.692 5.694 0.806 1.00 0.75 C ATOM 200 C GLN A2059 9.260 5.836 1.303 1.00 0.58 C ATOM 201 O GLN A2059 8.323 5.722 0.524 1.00 0.54 O ATOM 202 CB GLN A2059 11.311 4.409 1.351 1.00 0.80 C ATOM 203 CG GLN A2059 12.745 4.186 0.904 1.00 1.17 C ATOM 204 CD GLN A2059 13.408 3.030 1.622 1.00 1.86 C ATOM 205 OE1 GLN A2059 12.753 2.066 2.015 1.00 2.83 O ATOM 206 NE2 GLN A2059 14.714 3.123 1.808 1.00 1.87 N ATOM 0 H GLN A2059 12.290 6.598 1.792 1.00 0.87 H new ATOM 0 HA GLN A2059 10.679 5.649 -0.283 1.00 0.75 H new ATOM 0 HB2 GLN A2059 11.279 4.434 2.440 1.00 0.80 H new ATOM 0 HB3 GLN A2059 10.705 3.561 1.034 1.00 0.80 H new ATOM 0 HG2 GLN A2059 12.762 3.999 -0.170 1.00 1.17 H new ATOM 0 HG3 GLN A2059 13.321 5.095 1.078 1.00 1.17 H new ATOM 0 HE21 GLN A2059 15.221 3.940 1.466 1.00 1.87 H new ATOM 0 HE22 GLN A2059 15.214 2.378 2.293 1.00 1.87 H new ATOM 215 N GLN A2060 9.099 6.106 2.597 1.00 0.54 N ATOM 216 CA GLN A2060 7.776 6.210 3.200 1.00 0.45 C ATOM 217 C GLN A2060 6.855 7.156 2.441 1.00 0.44 C ATOM 218 O GLN A2060 5.745 6.773 2.102 1.00 0.42 O ATOM 219 CB GLN A2060 7.863 6.641 4.656 1.00 0.55 C ATOM 220 CG GLN A2060 8.366 5.547 5.570 1.00 0.57 C ATOM 221 CD GLN A2060 7.955 5.772 7.009 1.00 0.81 C ATOM 222 OE1 GLN A2060 6.892 5.328 7.433 1.00 1.38 O ATOM 223 NE2 GLN A2060 8.793 6.460 7.766 1.00 1.01 N ATOM 0 H GLN A2060 9.871 6.257 3.247 1.00 0.54 H new ATOM 0 HA GLN A2060 7.344 5.211 3.146 1.00 0.45 H new ATOM 0 HB2 GLN A2060 8.524 7.504 4.734 1.00 0.55 H new ATOM 0 HB3 GLN A2060 6.878 6.963 4.993 1.00 0.55 H new ATOM 0 HG2 GLN A2060 7.981 4.586 5.230 1.00 0.57 H new ATOM 0 HG3 GLN A2060 9.453 5.495 5.508 1.00 0.57 H new ATOM 0 HE21 GLN A2060 9.666 6.810 7.372 1.00 1.01 H new ATOM 0 HE22 GLN A2060 8.566 6.640 8.744 1.00 1.01 H new ATOM 232 N GLN A2061 7.303 8.377 2.165 1.00 0.58 N ATOM 233 CA GLN A2061 6.450 9.331 1.455 1.00 0.61 C ATOM 234 C GLN A2061 6.068 8.792 0.079 1.00 0.51 C ATOM 235 O GLN A2061 4.934 8.955 -0.368 1.00 0.45 O ATOM 236 CB GLN A2061 7.114 10.702 1.318 1.00 0.83 C ATOM 237 CG GLN A2061 8.496 10.671 0.702 1.00 0.89 C ATOM 238 CD GLN A2061 8.965 12.043 0.276 1.00 1.29 C ATOM 239 OE1 GLN A2061 8.756 12.457 -0.866 1.00 1.75 O ATOM 240 NE2 GLN A2061 9.587 12.762 1.189 1.00 1.97 N ATOM 0 H GLN A2061 8.229 8.726 2.414 1.00 0.58 H new ATOM 0 HA GLN A2061 5.547 9.459 2.051 1.00 0.61 H new ATOM 0 HB2 GLN A2061 6.474 11.343 0.711 1.00 0.83 H new ATOM 0 HB3 GLN A2061 7.180 11.160 2.305 1.00 0.83 H new ATOM 0 HG2 GLN A2061 9.202 10.255 1.420 1.00 0.89 H new ATOM 0 HG3 GLN A2061 8.491 10.007 -0.162 1.00 0.89 H new ATOM 0 HE21 GLN A2061 9.739 12.380 2.123 1.00 1.97 H new ATOM 0 HE22 GLN A2061 9.916 13.700 0.962 1.00 1.97 H new ATOM 249 N THR A2062 7.018 8.143 -0.576 1.00 0.53 N ATOM 250 CA THR A2062 6.763 7.469 -1.841 1.00 0.50 C ATOM 251 C THR A2062 5.684 6.401 -1.673 1.00 0.39 C ATOM 252 O THR A2062 4.642 6.453 -2.318 1.00 0.42 O ATOM 253 CB THR A2062 8.047 6.815 -2.382 1.00 0.59 C ATOM 254 OG1 THR A2062 9.026 7.825 -2.662 1.00 0.74 O ATOM 255 CG2 THR A2062 7.763 5.993 -3.634 1.00 0.83 C ATOM 0 H THR A2062 7.981 8.068 -0.249 1.00 0.53 H new ATOM 0 HA THR A2062 6.419 8.219 -2.553 1.00 0.50 H new ATOM 0 HB THR A2062 8.434 6.139 -1.620 1.00 0.59 H new ATOM 0 HG1 THR A2062 9.481 8.079 -1.832 1.00 0.74 H new ATOM 0 HG21 THR A2062 8.689 5.544 -3.992 1.00 0.83 H new ATOM 0 HG22 THR A2062 7.046 5.207 -3.398 1.00 0.83 H new ATOM 0 HG23 THR A2062 7.350 6.640 -4.408 1.00 0.83 H new ATOM 263 N LEU A2063 5.949 5.443 -0.795 1.00 0.37 N ATOM 264 CA LEU A2063 5.028 4.365 -0.497 1.00 0.29 C ATOM 265 C LEU A2063 3.658 4.889 -0.065 1.00 0.22 C ATOM 266 O LEU A2063 2.633 4.327 -0.442 1.00 0.21 O ATOM 267 CB LEU A2063 5.642 3.486 0.593 1.00 0.30 C ATOM 268 CG LEU A2063 6.716 2.497 0.118 1.00 0.53 C ATOM 269 CD1 LEU A2063 7.773 3.166 -0.747 1.00 0.92 C ATOM 270 CD2 LEU A2063 7.373 1.820 1.313 1.00 0.79 C ATOM 0 H LEU A2063 6.820 5.396 -0.266 1.00 0.37 H new ATOM 0 HA LEU A2063 4.866 3.779 -1.402 1.00 0.29 H new ATOM 0 HB2 LEU A2063 6.080 4.133 1.353 1.00 0.30 H new ATOM 0 HB3 LEU A2063 4.842 2.923 1.075 1.00 0.30 H new ATOM 0 HG LEU A2063 6.216 1.749 -0.497 1.00 0.53 H new ATOM 0 HD11 LEU A2063 8.510 2.426 -1.058 1.00 0.92 H new ATOM 0 HD12 LEU A2063 7.301 3.600 -1.628 1.00 0.92 H new ATOM 0 HD13 LEU A2063 8.267 3.952 -0.175 1.00 0.92 H new ATOM 0 HD21 LEU A2063 8.133 1.121 0.963 1.00 0.79 H new ATOM 0 HD22 LEU A2063 7.838 2.574 1.948 1.00 0.79 H new ATOM 0 HD23 LEU A2063 6.619 1.280 1.885 1.00 0.79 H new ATOM 282 N ALA A2064 3.652 5.971 0.706 1.00 0.25 N ATOM 283 CA ALA A2064 2.412 6.592 1.163 1.00 0.27 C ATOM 284 C ALA A2064 1.644 7.201 -0.003 1.00 0.25 C ATOM 285 O ALA A2064 0.418 7.305 0.033 1.00 0.30 O ATOM 286 CB ALA A2064 2.703 7.657 2.208 1.00 0.37 C ATOM 0 H ALA A2064 4.498 6.440 1.030 1.00 0.25 H new ATOM 0 HA ALA A2064 1.794 5.815 1.613 1.00 0.27 H new ATOM 0 HB1 ALA A2064 1.767 8.109 2.537 1.00 0.37 H new ATOM 0 HB2 ALA A2064 3.206 7.202 3.061 1.00 0.37 H new ATOM 0 HB3 ALA A2064 3.345 8.425 1.776 1.00 0.37 H new ATOM 292 N THR A2065 2.370 7.592 -1.038 1.00 0.24 N ATOM 293 CA THR A2065 1.753 8.149 -2.228 1.00 0.27 C ATOM 294 C THR A2065 1.349 7.015 -3.164 1.00 0.24 C ATOM 295 O THR A2065 0.327 7.087 -3.849 1.00 0.29 O ATOM 296 CB THR A2065 2.704 9.120 -2.950 1.00 0.35 C ATOM 297 OG1 THR A2065 3.217 10.078 -2.014 1.00 0.40 O ATOM 298 CG2 THR A2065 1.987 9.850 -4.076 1.00 0.42 C ATOM 0 H THR A2065 3.388 7.533 -1.077 1.00 0.24 H new ATOM 0 HA THR A2065 0.869 8.713 -1.929 1.00 0.27 H new ATOM 0 HB THR A2065 3.523 8.541 -3.377 1.00 0.35 H new ATOM 0 HG1 THR A2065 4.073 9.761 -1.657 1.00 0.40 H new ATOM 0 HG21 THR A2065 2.682 10.530 -4.569 1.00 0.42 H new ATOM 0 HG22 THR A2065 1.613 9.125 -4.799 1.00 0.42 H new ATOM 0 HG23 THR A2065 1.152 10.419 -3.667 1.00 0.42 H new ATOM 306 N LEU A2066 2.159 5.964 -3.168 1.00 0.21 N ATOM 307 CA LEU A2066 1.854 4.751 -3.906 1.00 0.21 C ATOM 308 C LEU A2066 0.539 4.162 -3.437 1.00 0.18 C ATOM 309 O LEU A2066 -0.411 4.055 -4.202 1.00 0.20 O ATOM 310 CB LEU A2066 2.961 3.710 -3.721 1.00 0.24 C ATOM 311 CG LEU A2066 2.614 2.312 -4.243 1.00 0.30 C ATOM 312 CD1 LEU A2066 2.197 2.375 -5.704 1.00 0.37 C ATOM 313 CD2 LEU A2066 3.782 1.356 -4.064 1.00 0.36 C ATOM 0 H LEU A2066 3.043 5.931 -2.660 1.00 0.21 H new ATOM 0 HA LEU A2066 1.781 5.014 -4.961 1.00 0.21 H new ATOM 0 HB2 LEU A2066 3.860 4.060 -4.228 1.00 0.24 H new ATOM 0 HB3 LEU A2066 3.201 3.638 -2.660 1.00 0.24 H new ATOM 0 HG LEU A2066 1.775 1.934 -3.658 1.00 0.30 H new ATOM 0 HD11 LEU A2066 1.955 1.373 -6.057 1.00 0.37 H new ATOM 0 HD12 LEU A2066 1.322 3.017 -5.805 1.00 0.37 H new ATOM 0 HD13 LEU A2066 3.015 2.781 -6.299 1.00 0.37 H new ATOM 0 HD21 LEU A2066 3.508 0.371 -4.443 1.00 0.36 H new ATOM 0 HD22 LEU A2066 4.645 1.729 -4.615 1.00 0.36 H new ATOM 0 HD23 LEU A2066 4.032 1.281 -3.006 1.00 0.36 H new ATOM 325 N VAL A2067 0.501 3.785 -2.172 1.00 0.17 N ATOM 326 CA VAL A2067 -0.680 3.167 -1.591 1.00 0.18 C ATOM 327 C VAL A2067 -1.908 4.071 -1.716 1.00 0.19 C ATOM 328 O VAL A2067 -3.015 3.594 -1.971 1.00 0.22 O ATOM 329 CB VAL A2067 -0.452 2.785 -0.122 1.00 0.21 C ATOM 330 CG1 VAL A2067 -0.137 3.998 0.740 1.00 0.51 C ATOM 331 CG2 VAL A2067 -1.666 2.062 0.400 1.00 0.64 C ATOM 0 H VAL A2067 1.279 3.896 -1.522 1.00 0.17 H new ATOM 0 HA VAL A2067 -0.868 2.255 -2.157 1.00 0.18 H new ATOM 0 HB VAL A2067 0.416 2.127 -0.071 1.00 0.21 H new ATOM 0 HG11 VAL A2067 0.017 3.681 1.772 1.00 0.51 H new ATOM 0 HG12 VAL A2067 0.767 4.482 0.370 1.00 0.51 H new ATOM 0 HG13 VAL A2067 -0.969 4.701 0.697 1.00 0.51 H new ATOM 0 HG21 VAL A2067 -1.507 1.790 1.443 1.00 0.64 H new ATOM 0 HG22 VAL A2067 -2.537 2.712 0.324 1.00 0.64 H new ATOM 0 HG23 VAL A2067 -1.834 1.160 -0.189 1.00 0.64 H new ATOM 341 N ALA A2068 -1.711 5.372 -1.540 1.00 0.19 N ATOM 342 CA ALA A2068 -2.779 6.334 -1.761 1.00 0.23 C ATOM 343 C ALA A2068 -3.301 6.218 -3.187 1.00 0.23 C ATOM 344 O ALA A2068 -4.496 6.061 -3.406 1.00 0.29 O ATOM 345 CB ALA A2068 -2.300 7.751 -1.477 1.00 0.27 C ATOM 0 H ALA A2068 -0.825 5.782 -1.246 1.00 0.19 H new ATOM 0 HA ALA A2068 -3.593 6.111 -1.072 1.00 0.23 H new ATOM 0 HB1 ALA A2068 -3.116 8.452 -1.649 1.00 0.27 H new ATOM 0 HB2 ALA A2068 -1.972 7.823 -0.440 1.00 0.27 H new ATOM 0 HB3 ALA A2068 -1.468 7.993 -2.138 1.00 0.27 H new ATOM 351 N ALA A2069 -2.397 6.255 -4.157 1.00 0.20 N ATOM 352 CA ALA A2069 -2.779 6.102 -5.550 1.00 0.22 C ATOM 353 C ALA A2069 -3.368 4.719 -5.799 1.00 0.23 C ATOM 354 O ALA A2069 -4.244 4.555 -6.638 1.00 0.29 O ATOM 355 CB ALA A2069 -1.584 6.342 -6.452 1.00 0.25 C ATOM 0 H ALA A2069 -1.398 6.389 -4.003 1.00 0.20 H new ATOM 0 HA ALA A2069 -3.544 6.843 -5.781 1.00 0.22 H new ATOM 0 HB1 ALA A2069 -1.884 6.224 -7.493 1.00 0.25 H new ATOM 0 HB2 ALA A2069 -1.207 7.353 -6.295 1.00 0.25 H new ATOM 0 HB3 ALA A2069 -0.800 5.622 -6.217 1.00 0.25 H new ATOM 361 N ALA A2070 -2.894 3.734 -5.052 1.00 0.21 N ATOM 362 CA ALA A2070 -3.378 2.368 -5.175 1.00 0.24 C ATOM 363 C ALA A2070 -4.840 2.263 -4.761 1.00 0.26 C ATOM 364 O ALA A2070 -5.666 1.734 -5.506 1.00 0.34 O ATOM 365 CB ALA A2070 -2.523 1.431 -4.345 1.00 0.25 C ATOM 0 H ALA A2070 -2.167 3.858 -4.347 1.00 0.21 H new ATOM 0 HA ALA A2070 -3.305 2.076 -6.223 1.00 0.24 H new ATOM 0 HB1 ALA A2070 -2.896 0.412 -4.446 1.00 0.25 H new ATOM 0 HB2 ALA A2070 -1.491 1.476 -4.693 1.00 0.25 H new ATOM 0 HB3 ALA A2070 -2.566 1.731 -3.298 1.00 0.25 H new ATOM 371 N THR A2071 -5.164 2.788 -3.583 1.00 0.24 N ATOM 372 CA THR A2071 -6.526 2.720 -3.077 1.00 0.28 C ATOM 373 C THR A2071 -7.406 3.735 -3.793 1.00 0.31 C ATOM 374 O THR A2071 -8.633 3.638 -3.788 1.00 0.37 O ATOM 375 CB THR A2071 -6.580 2.919 -1.546 1.00 0.30 C ATOM 376 OG1 THR A2071 -7.811 2.411 -1.024 1.00 0.38 O ATOM 377 CG2 THR A2071 -6.448 4.370 -1.148 1.00 0.29 C ATOM 0 H THR A2071 -4.504 3.262 -2.966 1.00 0.24 H new ATOM 0 HA THR A2071 -6.910 1.721 -3.282 1.00 0.28 H new ATOM 0 HB THR A2071 -5.734 2.372 -1.130 1.00 0.30 H new ATOM 0 HG1 THR A2071 -7.833 2.541 -0.053 1.00 0.38 H new ATOM 0 HG21 THR A2071 -6.492 4.455 -0.062 1.00 0.29 H new ATOM 0 HG22 THR A2071 -5.494 4.760 -1.504 1.00 0.29 H new ATOM 0 HG23 THR A2071 -7.262 4.944 -1.590 1.00 0.29 H new ATOM 385 N ALA A2072 -6.764 4.704 -4.414 1.00 0.31 N ATOM 386 CA ALA A2072 -7.452 5.619 -5.309 1.00 0.40 C ATOM 387 C ALA A2072 -7.796 4.922 -6.616 1.00 0.42 C ATOM 388 O ALA A2072 -8.878 5.108 -7.138 1.00 0.54 O ATOM 389 CB ALA A2072 -6.622 6.866 -5.557 1.00 0.47 C ATOM 0 H ALA A2072 -5.764 4.880 -4.316 1.00 0.31 H new ATOM 0 HA ALA A2072 -8.381 5.931 -4.833 1.00 0.40 H new ATOM 0 HB1 ALA A2072 -7.160 7.533 -6.230 1.00 0.47 H new ATOM 0 HB2 ALA A2072 -6.439 7.375 -4.611 1.00 0.47 H new ATOM 0 HB3 ALA A2072 -5.670 6.586 -6.009 1.00 0.47 H new ATOM 395 N THR A2073 -6.891 4.096 -7.121 1.00 0.36 N ATOM 396 CA THR A2073 -7.107 3.409 -8.391 1.00 0.40 C ATOM 397 C THR A2073 -8.274 2.420 -8.307 1.00 0.29 C ATOM 398 O THR A2073 -9.032 2.257 -9.265 1.00 0.34 O ATOM 399 CB THR A2073 -5.828 2.676 -8.854 1.00 0.49 C ATOM 400 OG1 THR A2073 -4.754 3.616 -8.984 1.00 0.60 O ATOM 401 CG2 THR A2073 -6.043 1.975 -10.186 1.00 0.58 C ATOM 0 H THR A2073 -6.000 3.884 -6.673 1.00 0.36 H new ATOM 0 HA THR A2073 -7.359 4.173 -9.126 1.00 0.40 H new ATOM 0 HB THR A2073 -5.581 1.924 -8.104 1.00 0.49 H new ATOM 0 HG1 THR A2073 -4.707 4.172 -8.178 1.00 0.60 H new ATOM 0 HG21 THR A2073 -5.124 1.469 -10.483 1.00 0.58 H new ATOM 0 HG22 THR A2073 -6.845 1.243 -10.087 1.00 0.58 H new ATOM 0 HG23 THR A2073 -6.314 2.710 -10.944 1.00 0.58 H new ATOM 409 N VAL A2074 -8.424 1.777 -7.158 1.00 0.20 N ATOM 410 CA VAL A2074 -9.516 0.827 -6.962 1.00 0.22 C ATOM 411 C VAL A2074 -10.858 1.536 -6.797 1.00 0.27 C ATOM 412 O VAL A2074 -11.788 1.317 -7.573 1.00 0.41 O ATOM 413 CB VAL A2074 -9.273 -0.102 -5.754 1.00 0.27 C ATOM 414 CG1 VAL A2074 -8.513 -1.320 -6.187 1.00 0.78 C ATOM 415 CG2 VAL A2074 -8.491 0.582 -4.659 1.00 0.72 C ATOM 0 H VAL A2074 -7.810 1.892 -6.352 1.00 0.20 H new ATOM 0 HA VAL A2074 -9.547 0.216 -7.864 1.00 0.22 H new ATOM 0 HB VAL A2074 -10.253 -0.376 -5.363 1.00 0.27 H new ATOM 0 HG11 VAL A2074 -8.346 -1.969 -5.328 1.00 0.78 H new ATOM 0 HG12 VAL A2074 -9.087 -1.857 -6.942 1.00 0.78 H new ATOM 0 HG13 VAL A2074 -7.553 -1.020 -6.606 1.00 0.78 H new ATOM 0 HG21 VAL A2074 -8.344 -0.110 -3.830 1.00 0.72 H new ATOM 0 HG22 VAL A2074 -7.521 0.896 -5.046 1.00 0.72 H new ATOM 0 HG23 VAL A2074 -9.042 1.455 -4.310 1.00 0.72 H new ATOM 425 N LEU A2075 -10.953 2.358 -5.769 1.00 0.27 N ATOM 426 CA LEU A2075 -12.138 3.167 -5.512 1.00 0.37 C ATOM 427 C LEU A2075 -12.429 4.132 -6.654 1.00 0.42 C ATOM 428 O LEU A2075 -11.574 4.919 -7.039 1.00 1.24 O ATOM 429 CB LEU A2075 -11.948 3.958 -4.229 1.00 0.44 C ATOM 430 CG LEU A2075 -12.157 3.156 -2.948 1.00 0.51 C ATOM 431 CD1 LEU A2075 -11.200 1.993 -2.866 1.00 0.89 C ATOM 432 CD2 LEU A2075 -12.030 4.047 -1.728 1.00 1.04 C ATOM 0 H LEU A2075 -10.209 2.487 -5.083 1.00 0.27 H new ATOM 0 HA LEU A2075 -12.985 2.487 -5.420 1.00 0.37 H new ATOM 0 HB2 LEU A2075 -10.941 4.374 -4.221 1.00 0.44 H new ATOM 0 HB3 LEU A2075 -12.640 4.800 -4.231 1.00 0.44 H new ATOM 0 HG LEU A2075 -13.169 2.751 -2.971 1.00 0.51 H new ATOM 0 HD11 LEU A2075 -11.375 1.442 -1.942 1.00 0.89 H new ATOM 0 HD12 LEU A2075 -11.357 1.332 -3.718 1.00 0.89 H new ATOM 0 HD13 LEU A2075 -10.175 2.364 -2.879 1.00 0.89 H new ATOM 0 HD21 LEU A2075 -12.183 3.454 -0.827 1.00 1.04 H new ATOM 0 HD22 LEU A2075 -11.036 4.493 -1.705 1.00 1.04 H new ATOM 0 HD23 LEU A2075 -12.780 4.836 -1.774 1.00 1.04 H new ATOM 444 N GLY A2076 -13.668 4.094 -7.136 1.00 1.16 N ATOM 445 CA GLY A2076 -14.072 4.832 -8.328 1.00 1.30 C ATOM 446 C GLY A2076 -13.734 6.317 -8.318 1.00 0.86 C ATOM 447 O GLY A2076 -13.494 6.896 -9.374 1.00 1.11 O ATOM 0 H GLY A2076 -14.420 3.551 -6.711 1.00 1.16 H new ATOM 0 HA2 GLY A2076 -13.599 4.374 -9.197 1.00 1.30 H new ATOM 0 HA3 GLY A2076 -15.149 4.722 -8.456 1.00 1.30 H new ATOM 451 N HIS A2077 -13.716 6.940 -7.144 1.00 0.88 N ATOM 452 CA HIS A2077 -13.425 8.376 -7.045 1.00 0.79 C ATOM 453 C HIS A2077 -11.984 8.681 -7.473 1.00 1.18 C ATOM 454 O HIS A2077 -11.713 9.747 -8.014 1.00 2.09 O ATOM 455 CB HIS A2077 -13.666 8.889 -5.611 1.00 1.03 C ATOM 456 CG HIS A2077 -12.669 8.404 -4.597 1.00 0.93 C ATOM 457 ND1 HIS A2077 -11.453 9.016 -4.388 1.00 1.17 N ATOM 458 CD2 HIS A2077 -12.700 7.347 -3.755 1.00 0.89 C ATOM 459 CE1 HIS A2077 -10.777 8.351 -3.471 1.00 1.04 C ATOM 460 NE2 HIS A2077 -11.511 7.334 -3.065 1.00 0.92 N ATOM 0 H HIS A2077 -13.897 6.482 -6.251 1.00 0.88 H new ATOM 0 HA HIS A2077 -14.104 8.894 -7.722 1.00 0.79 H new ATOM 0 HB2 HIS A2077 -13.652 9.979 -5.622 1.00 1.03 H new ATOM 0 HB3 HIS A2077 -14.664 8.586 -5.294 1.00 1.03 H new ATOM 0 HD2 HIS A2077 -13.510 6.642 -3.645 1.00 0.89 H new ATOM 0 HE1 HIS A2077 -9.788 8.598 -3.113 1.00 1.04 H new ATOM 0 HE2 HIS A2077 -11.242 6.651 -2.357 1.00 0.92 H new ATOM 469 N HIS A2078 -11.088 7.722 -7.245 1.00 1.15 N ATOM 470 CA HIS A2078 -9.649 7.867 -7.515 1.00 1.82 C ATOM 471 C HIS A2078 -9.103 9.240 -7.097 1.00 1.20 C ATOM 472 O HIS A2078 -8.894 10.115 -7.940 1.00 1.46 O ATOM 473 CB HIS A2078 -9.289 7.646 -8.992 1.00 2.98 C ATOM 474 CG HIS A2078 -10.113 6.648 -9.754 1.00 4.08 C ATOM 475 ND1 HIS A2078 -10.344 5.339 -9.536 1.00 5.04 N flip ATOM 476 CD2 HIS A2078 -10.752 6.951 -10.939 1.00 4.50 C flip ATOM 477 CE1 HIS A2078 -11.104 4.876 -10.579 1.00 5.96 C flip ATOM 478 NE2 HIS A2078 -11.338 5.869 -11.411 1.00 5.67 N flip ATOM 0 H HIS A2078 -11.339 6.810 -6.863 1.00 1.15 H new ATOM 0 HA HIS A2078 -9.185 7.088 -6.910 1.00 1.82 H new ATOM 0 HB2 HIS A2078 -9.360 8.605 -9.505 1.00 2.98 H new ATOM 0 HB3 HIS A2078 -8.246 7.333 -9.043 1.00 2.98 H new ATOM 0 HD1 HIS A2078 -10.014 4.792 -8.741 1.00 5.04 H new ATOM 0 HD2 HIS A2078 -10.769 7.924 -11.407 1.00 4.50 H new ATOM 0 HE1 HIS A2078 -11.454 3.861 -10.699 1.00 5.96 H new ATOM 487 N THR A2079 -8.848 9.419 -5.807 1.00 1.12 N ATOM 488 CA THR A2079 -8.285 10.673 -5.314 1.00 0.78 C ATOM 489 C THR A2079 -7.334 10.412 -4.153 1.00 0.67 C ATOM 490 O THR A2079 -7.775 10.222 -3.021 1.00 0.86 O ATOM 491 CB THR A2079 -9.378 11.638 -4.824 1.00 1.25 C ATOM 492 OG1 THR A2079 -10.618 11.355 -5.484 1.00 1.52 O ATOM 493 CG2 THR A2079 -8.973 13.079 -5.086 1.00 1.42 C ATOM 0 H THR A2079 -9.020 8.718 -5.086 1.00 1.12 H new ATOM 0 HA THR A2079 -7.754 11.126 -6.151 1.00 0.78 H new ATOM 0 HB THR A2079 -9.504 11.499 -3.750 1.00 1.25 H new ATOM 0 HG1 THR A2079 -11.151 10.746 -4.931 1.00 1.52 H new ATOM 0 HG21 THR A2079 -9.758 13.748 -4.733 1.00 1.42 H new ATOM 0 HG22 THR A2079 -8.045 13.298 -4.558 1.00 1.42 H new ATOM 0 HG23 THR A2079 -8.825 13.227 -6.156 1.00 1.42 H new ATOM 501 N PRO A2080 -6.019 10.397 -4.414 1.00 0.48 N ATOM 502 CA PRO A2080 -5.008 10.150 -3.383 1.00 0.48 C ATOM 503 C PRO A2080 -4.867 11.330 -2.428 1.00 0.69 C ATOM 504 O PRO A2080 -4.375 11.192 -1.309 1.00 0.70 O ATOM 505 CB PRO A2080 -3.709 9.948 -4.180 1.00 0.56 C ATOM 506 CG PRO A2080 -4.125 9.839 -5.612 1.00 0.56 C ATOM 507 CD PRO A2080 -5.407 10.607 -5.730 1.00 0.50 C ATOM 0 HA PRO A2080 -5.268 9.297 -2.756 1.00 0.48 H new ATOM 0 HB2 PRO A2080 -3.026 10.785 -4.033 1.00 0.56 H new ATOM 0 HB3 PRO A2080 -3.186 9.049 -3.855 1.00 0.56 H new ATOM 0 HG2 PRO A2080 -3.362 10.250 -6.272 1.00 0.56 H new ATOM 0 HG3 PRO A2080 -4.267 8.797 -5.899 1.00 0.56 H new ATOM 0 HD2 PRO A2080 -5.231 11.663 -5.933 1.00 0.50 H new ATOM 0 HD3 PRO A2080 -6.035 10.228 -6.536 1.00 0.50 H new ATOM 515 N GLU A2081 -5.329 12.481 -2.884 1.00 0.93 N ATOM 516 CA GLU A2081 -5.240 13.719 -2.152 1.00 1.22 C ATOM 517 C GLU A2081 -6.015 13.665 -0.834 1.00 1.21 C ATOM 518 O GLU A2081 -5.573 14.205 0.179 1.00 1.32 O ATOM 519 CB GLU A2081 -5.783 14.820 -3.053 1.00 1.52 C ATOM 520 CG GLU A2081 -6.230 16.043 -2.314 1.00 2.12 C ATOM 521 CD GLU A2081 -6.697 17.139 -3.240 1.00 2.46 C ATOM 522 OE1 GLU A2081 -5.889 18.035 -3.558 1.00 2.53 O ATOM 523 OE2 GLU A2081 -7.877 17.116 -3.646 1.00 2.96 O ATOM 0 H GLU A2081 -5.784 12.576 -3.792 1.00 0.93 H new ATOM 0 HA GLU A2081 -4.201 13.912 -1.884 1.00 1.22 H new ATOM 0 HB2 GLU A2081 -5.012 15.102 -3.770 1.00 1.52 H new ATOM 0 HB3 GLU A2081 -6.623 14.426 -3.626 1.00 1.52 H new ATOM 0 HG2 GLU A2081 -7.039 15.777 -1.634 1.00 2.12 H new ATOM 0 HG3 GLU A2081 -5.408 16.414 -1.702 1.00 2.12 H new ATOM 530 N SER A2082 -7.158 12.997 -0.850 1.00 1.13 N ATOM 531 CA SER A2082 -8.046 12.985 0.304 1.00 1.23 C ATOM 532 C SER A2082 -7.883 11.697 1.111 1.00 0.99 C ATOM 533 O SER A2082 -8.752 11.331 1.907 1.00 1.06 O ATOM 534 CB SER A2082 -9.497 13.159 -0.163 1.00 1.44 C ATOM 535 OG SER A2082 -10.398 13.221 0.932 1.00 1.70 O ATOM 0 H SER A2082 -7.493 12.457 -1.648 1.00 1.13 H new ATOM 0 HA SER A2082 -7.782 13.815 0.959 1.00 1.23 H new ATOM 0 HB2 SER A2082 -9.582 14.070 -0.756 1.00 1.44 H new ATOM 0 HB3 SER A2082 -9.772 12.329 -0.814 1.00 1.44 H new ATOM 0 HG SER A2082 -10.100 12.608 1.636 1.00 1.70 H new ATOM 541 N ILE A2083 -6.770 11.008 0.911 1.00 0.76 N ATOM 542 CA ILE A2083 -6.513 9.778 1.628 1.00 0.55 C ATOM 543 C ILE A2083 -5.641 10.041 2.845 1.00 0.43 C ATOM 544 O ILE A2083 -4.410 10.004 2.777 1.00 0.46 O ATOM 545 CB ILE A2083 -5.852 8.738 0.715 1.00 0.45 C ATOM 546 CG1 ILE A2083 -6.671 8.615 -0.566 1.00 0.58 C ATOM 547 CG2 ILE A2083 -5.742 7.397 1.426 1.00 0.42 C ATOM 548 CD1 ILE A2083 -6.188 7.538 -1.493 1.00 0.47 C ATOM 0 H ILE A2083 -6.035 11.282 0.259 1.00 0.76 H new ATOM 0 HA ILE A2083 -7.470 9.379 1.964 1.00 0.55 H new ATOM 0 HB ILE A2083 -4.841 9.058 0.464 1.00 0.45 H new ATOM 0 HG12 ILE A2083 -7.710 8.417 -0.304 1.00 0.58 H new ATOM 0 HG13 ILE A2083 -6.651 9.570 -1.092 1.00 0.58 H new ATOM 0 HG21 ILE A2083 -5.271 6.671 0.763 1.00 0.42 H new ATOM 0 HG22 ILE A2083 -5.139 7.511 2.327 1.00 0.42 H new ATOM 0 HG23 ILE A2083 -6.738 7.047 1.698 1.00 0.42 H new ATOM 0 HD11 ILE A2083 -6.820 7.512 -2.381 1.00 0.47 H new ATOM 0 HD12 ILE A2083 -5.159 7.745 -1.786 1.00 0.47 H new ATOM 0 HD13 ILE A2083 -6.234 6.574 -0.986 1.00 0.47 H new ATOM 560 N SER A2084 -6.300 10.319 3.954 1.00 0.38 N ATOM 561 CA SER A2084 -5.624 10.631 5.195 1.00 0.32 C ATOM 562 C SER A2084 -5.059 9.363 5.832 1.00 0.29 C ATOM 563 O SER A2084 -5.772 8.379 6.026 1.00 0.31 O ATOM 564 CB SER A2084 -6.604 11.326 6.136 1.00 0.36 C ATOM 565 OG SER A2084 -7.189 12.454 5.501 1.00 0.42 O ATOM 0 H SER A2084 -7.318 10.334 4.018 1.00 0.38 H new ATOM 0 HA SER A2084 -4.787 11.300 4.995 1.00 0.32 H new ATOM 0 HB2 SER A2084 -7.384 10.627 6.439 1.00 0.36 H new ATOM 0 HB3 SER A2084 -6.086 11.639 7.043 1.00 0.36 H new ATOM 0 HG SER A2084 -7.816 12.887 6.117 1.00 0.42 H new ATOM 571 N PRO A2085 -3.757 9.388 6.168 1.00 0.29 N ATOM 572 CA PRO A2085 -3.019 8.222 6.679 1.00 0.28 C ATOM 573 C PRO A2085 -3.570 7.686 7.992 1.00 0.28 C ATOM 574 O PRO A2085 -3.478 6.491 8.268 1.00 0.33 O ATOM 575 CB PRO A2085 -1.605 8.764 6.889 1.00 0.32 C ATOM 576 CG PRO A2085 -1.799 10.229 7.047 1.00 0.36 C ATOM 577 CD PRO A2085 -2.891 10.574 6.086 1.00 0.36 C ATOM 0 HA PRO A2085 -3.084 7.381 5.988 1.00 0.28 H new ATOM 0 HB2 PRO A2085 -1.137 8.326 7.771 1.00 0.32 H new ATOM 0 HB3 PRO A2085 -0.960 8.536 6.040 1.00 0.32 H new ATOM 0 HG2 PRO A2085 -2.077 10.483 8.070 1.00 0.36 H new ATOM 0 HG3 PRO A2085 -0.884 10.776 6.820 1.00 0.36 H new ATOM 0 HD2 PRO A2085 -3.417 11.484 6.376 1.00 0.36 H new ATOM 0 HD3 PRO A2085 -2.511 10.733 5.077 1.00 0.36 H new ATOM 585 N ALA A2086 -4.128 8.572 8.802 1.00 0.30 N ATOM 586 CA ALA A2086 -4.683 8.181 10.092 1.00 0.36 C ATOM 587 C ALA A2086 -5.992 7.411 9.936 1.00 0.30 C ATOM 588 O ALA A2086 -6.436 6.732 10.861 1.00 0.28 O ATOM 589 CB ALA A2086 -4.892 9.403 10.971 1.00 0.47 C ATOM 0 H ALA A2086 -4.209 9.567 8.591 1.00 0.30 H new ATOM 0 HA ALA A2086 -3.964 7.516 10.570 1.00 0.36 H new ATOM 0 HB1 ALA A2086 -5.307 9.094 11.931 1.00 0.47 H new ATOM 0 HB2 ALA A2086 -3.937 9.903 11.133 1.00 0.47 H new ATOM 0 HB3 ALA A2086 -5.582 10.090 10.481 1.00 0.47 H new ATOM 595 N THR A2087 -6.602 7.501 8.764 1.00 0.32 N ATOM 596 CA THR A2087 -7.882 6.854 8.530 1.00 0.28 C ATOM 597 C THR A2087 -7.693 5.444 7.976 1.00 0.24 C ATOM 598 O THR A2087 -6.666 5.125 7.383 1.00 0.28 O ATOM 599 CB THR A2087 -8.740 7.669 7.550 1.00 0.32 C ATOM 600 OG1 THR A2087 -8.611 9.068 7.837 1.00 0.39 O ATOM 601 CG2 THR A2087 -10.204 7.264 7.648 1.00 0.34 C ATOM 0 H THR A2087 -6.232 8.014 7.964 1.00 0.32 H new ATOM 0 HA THR A2087 -8.393 6.794 9.491 1.00 0.28 H new ATOM 0 HB THR A2087 -8.388 7.468 6.538 1.00 0.32 H new ATOM 0 HG1 THR A2087 -9.159 9.583 7.208 1.00 0.39 H new ATOM 0 HG21 THR A2087 -10.793 7.854 6.945 1.00 0.34 H new ATOM 0 HG22 THR A2087 -10.306 6.206 7.408 1.00 0.34 H new ATOM 0 HG23 THR A2087 -10.564 7.442 8.661 1.00 0.34 H new ATOM 609 N ALA A2088 -8.700 4.617 8.178 1.00 0.23 N ATOM 610 CA ALA A2088 -8.695 3.243 7.705 1.00 0.25 C ATOM 611 C ALA A2088 -9.360 3.162 6.346 1.00 0.22 C ATOM 612 O ALA A2088 -10.359 3.836 6.101 1.00 0.25 O ATOM 613 CB ALA A2088 -9.439 2.360 8.689 1.00 0.32 C ATOM 0 H ALA A2088 -9.550 4.879 8.677 1.00 0.23 H new ATOM 0 HA ALA A2088 -7.664 2.900 7.620 1.00 0.25 H new ATOM 0 HB1 ALA A2088 -9.433 1.331 8.331 1.00 0.32 H new ATOM 0 HB2 ALA A2088 -8.951 2.408 9.662 1.00 0.32 H new ATOM 0 HB3 ALA A2088 -10.469 2.706 8.782 1.00 0.32 H new ATOM 619 N PHE A2089 -8.810 2.319 5.471 1.00 0.21 N ATOM 620 CA PHE A2089 -9.343 2.152 4.119 1.00 0.20 C ATOM 621 C PHE A2089 -10.809 1.764 4.140 1.00 0.24 C ATOM 622 O PHE A2089 -11.530 2.030 3.186 1.00 0.26 O ATOM 623 CB PHE A2089 -8.564 1.101 3.340 1.00 0.21 C ATOM 624 CG PHE A2089 -7.266 1.575 2.759 1.00 0.21 C ATOM 625 CD1 PHE A2089 -6.890 2.909 2.812 1.00 0.40 C ATOM 626 CD2 PHE A2089 -6.414 0.670 2.160 1.00 0.44 C ATOM 627 CE1 PHE A2089 -5.689 3.322 2.286 1.00 0.43 C ATOM 628 CE2 PHE A2089 -5.210 1.082 1.629 1.00 0.48 C ATOM 629 CZ PHE A2089 -4.848 2.409 1.697 1.00 0.34 C ATOM 0 H PHE A2089 -7.995 1.741 5.675 1.00 0.21 H new ATOM 0 HA PHE A2089 -9.238 3.117 3.624 1.00 0.20 H new ATOM 0 HB2 PHE A2089 -8.363 0.257 4.000 1.00 0.21 H new ATOM 0 HB3 PHE A2089 -9.193 0.730 2.531 1.00 0.21 H new ATOM 0 HD1 PHE A2089 -7.548 3.631 3.272 1.00 0.40 H new ATOM 0 HD2 PHE A2089 -6.693 -0.372 2.106 1.00 0.44 H new ATOM 0 HE1 PHE A2089 -5.407 4.363 2.336 1.00 0.43 H new ATOM 0 HE2 PHE A2089 -4.552 0.365 1.161 1.00 0.48 H new ATOM 0 HZ PHE A2089 -3.903 2.732 1.287 1.00 0.34 H new ATOM 639 N LYS A2090 -11.231 1.120 5.217 1.00 0.30 N ATOM 640 CA LYS A2090 -12.637 0.839 5.438 1.00 0.40 C ATOM 641 C LYS A2090 -13.452 2.127 5.317 1.00 0.37 C ATOM 642 O LYS A2090 -14.358 2.228 4.487 1.00 0.47 O ATOM 643 CB LYS A2090 -12.813 0.204 6.806 1.00 0.55 C ATOM 644 CG LYS A2090 -14.017 0.716 7.547 1.00 1.19 C ATOM 645 CD LYS A2090 -14.407 -0.216 8.646 1.00 1.79 C ATOM 646 CE LYS A2090 -13.275 -0.433 9.635 1.00 2.14 C ATOM 647 NZ LYS A2090 -13.688 -1.289 10.778 1.00 2.91 N ATOM 0 H LYS A2090 -10.614 0.781 5.955 1.00 0.30 H new ATOM 0 HA LYS A2090 -12.998 0.142 4.682 1.00 0.40 H new ATOM 0 HB2 LYS A2090 -12.899 -0.876 6.689 1.00 0.55 H new ATOM 0 HB3 LYS A2090 -11.921 0.390 7.403 1.00 0.55 H new ATOM 0 HG2 LYS A2090 -13.802 1.701 7.961 1.00 1.19 H new ATOM 0 HG3 LYS A2090 -14.850 0.836 6.855 1.00 1.19 H new ATOM 0 HD2 LYS A2090 -15.275 0.184 9.170 1.00 1.79 H new ATOM 0 HD3 LYS A2090 -14.705 -1.174 8.220 1.00 1.79 H new ATOM 0 HE2 LYS A2090 -12.431 -0.895 9.123 1.00 2.14 H new ATOM 0 HE3 LYS A2090 -12.932 0.531 10.010 1.00 2.14 H new ATOM 0 HZ1 LYS A2090 -12.885 -1.411 11.428 1.00 2.91 H new ATOM 0 HZ2 LYS A2090 -14.477 -0.837 11.283 1.00 2.91 H new ATOM 0 HZ3 LYS A2090 -13.991 -2.219 10.424 1.00 2.91 H new ATOM 661 N ASP A2091 -13.112 3.105 6.152 1.00 0.33 N ATOM 662 CA ASP A2091 -13.715 4.429 6.094 1.00 0.35 C ATOM 663 C ASP A2091 -13.549 5.067 4.713 1.00 0.33 C ATOM 664 O ASP A2091 -14.484 5.679 4.196 1.00 0.39 O ATOM 665 CB ASP A2091 -13.093 5.329 7.163 1.00 0.38 C ATOM 666 CG ASP A2091 -13.722 6.711 7.203 1.00 1.03 C ATOM 667 OD1 ASP A2091 -13.206 7.632 6.535 1.00 1.88 O ATOM 668 OD2 ASP A2091 -14.741 6.886 7.904 1.00 1.04 O ATOM 0 H ASP A2091 -12.412 3.000 6.886 1.00 0.33 H new ATOM 0 HA ASP A2091 -14.783 4.319 6.282 1.00 0.35 H new ATOM 0 HB2 ASP A2091 -13.202 4.856 8.139 1.00 0.38 H new ATOM 0 HB3 ASP A2091 -12.024 5.426 6.974 1.00 0.38 H new ATOM 673 N LEU A2092 -12.370 4.915 4.104 1.00 0.30 N ATOM 674 CA LEU A2092 -12.114 5.531 2.806 1.00 0.32 C ATOM 675 C LEU A2092 -12.941 4.886 1.689 1.00 0.30 C ATOM 676 O LEU A2092 -13.212 5.529 0.677 1.00 0.36 O ATOM 677 CB LEU A2092 -10.625 5.467 2.432 1.00 0.34 C ATOM 678 CG LEU A2092 -9.690 6.493 3.097 1.00 0.35 C ATOM 679 CD1 LEU A2092 -10.394 7.814 3.363 1.00 0.73 C ATOM 680 CD2 LEU A2092 -9.092 5.946 4.376 1.00 0.61 C ATOM 0 H LEU A2092 -11.590 4.379 4.484 1.00 0.30 H new ATOM 0 HA LEU A2092 -12.413 6.574 2.904 1.00 0.32 H new ATOM 0 HB2 LEU A2092 -10.258 4.469 2.673 1.00 0.34 H new ATOM 0 HB3 LEU A2092 -10.542 5.585 1.352 1.00 0.34 H new ATOM 0 HG LEU A2092 -8.880 6.684 2.393 1.00 0.35 H new ATOM 0 HD11 LEU A2092 -9.698 8.509 3.833 1.00 0.73 H new ATOM 0 HD12 LEU A2092 -10.746 8.235 2.421 1.00 0.73 H new ATOM 0 HD13 LEU A2092 -11.243 7.647 4.026 1.00 0.73 H new ATOM 0 HD21 LEU A2092 -8.437 6.695 4.821 1.00 0.61 H new ATOM 0 HD22 LEU A2092 -9.891 5.702 5.076 1.00 0.61 H new ATOM 0 HD23 LEU A2092 -8.517 5.047 4.153 1.00 0.61 H new ATOM 692 N GLY A2093 -13.369 3.640 1.872 1.00 0.26 N ATOM 693 CA GLY A2093 -14.260 3.036 0.896 1.00 0.26 C ATOM 694 C GLY A2093 -13.845 1.649 0.431 1.00 0.22 C ATOM 695 O GLY A2093 -14.553 1.033 -0.362 1.00 0.27 O ATOM 0 H GLY A2093 -13.121 3.046 2.663 1.00 0.26 H new ATOM 0 HA2 GLY A2093 -15.260 2.977 1.325 1.00 0.26 H new ATOM 0 HA3 GLY A2093 -14.324 3.692 0.028 1.00 0.26 H new ATOM 699 N ILE A2094 -12.707 1.155 0.904 1.00 0.22 N ATOM 700 CA ILE A2094 -12.277 -0.203 0.590 1.00 0.19 C ATOM 701 C ILE A2094 -13.292 -1.227 1.079 1.00 0.18 C ATOM 702 O ILE A2094 -13.625 -1.281 2.266 1.00 0.22 O ATOM 703 CB ILE A2094 -10.888 -0.514 1.199 1.00 0.19 C ATOM 704 CG1 ILE A2094 -9.798 0.180 0.397 1.00 0.24 C ATOM 705 CG2 ILE A2094 -10.627 -2.017 1.264 1.00 0.21 C ATOM 706 CD1 ILE A2094 -9.699 -0.331 -1.005 1.00 0.28 C ATOM 0 H ILE A2094 -12.066 1.673 1.505 1.00 0.22 H new ATOM 0 HA ILE A2094 -12.202 -0.270 -0.495 1.00 0.19 H new ATOM 0 HB ILE A2094 -10.877 -0.133 2.220 1.00 0.19 H new ATOM 0 HG12 ILE A2094 -9.995 1.252 0.376 1.00 0.24 H new ATOM 0 HG13 ILE A2094 -8.840 0.042 0.898 1.00 0.24 H new ATOM 0 HG21 ILE A2094 -9.643 -2.197 1.697 1.00 0.21 H new ATOM 0 HG22 ILE A2094 -11.388 -2.492 1.883 1.00 0.21 H new ATOM 0 HG23 ILE A2094 -10.663 -2.436 0.259 1.00 0.21 H new ATOM 0 HD11 ILE A2094 -8.905 0.200 -1.531 1.00 0.28 H new ATOM 0 HD12 ILE A2094 -9.473 -1.397 -0.989 1.00 0.28 H new ATOM 0 HD13 ILE A2094 -10.646 -0.168 -1.519 1.00 0.28 H new ATOM 718 N ASP A2095 -13.797 -2.026 0.152 1.00 0.19 N ATOM 719 CA ASP A2095 -14.746 -3.073 0.484 1.00 0.26 C ATOM 720 C ASP A2095 -14.049 -4.422 0.448 1.00 0.21 C ATOM 721 O ASP A2095 -12.825 -4.493 0.448 1.00 0.23 O ATOM 722 CB ASP A2095 -15.923 -3.097 -0.495 1.00 0.40 C ATOM 723 CG ASP A2095 -16.671 -1.781 -0.577 1.00 0.77 C ATOM 724 OD1 ASP A2095 -17.325 -1.393 0.415 1.00 0.94 O ATOM 725 OD2 ASP A2095 -16.625 -1.137 -1.646 1.00 1.07 O ATOM 0 H ASP A2095 -13.563 -1.968 -0.839 1.00 0.19 H new ATOM 0 HA ASP A2095 -15.131 -2.869 1.483 1.00 0.26 H new ATOM 0 HB2 ASP A2095 -15.554 -3.358 -1.487 1.00 0.40 H new ATOM 0 HB3 ASP A2095 -16.618 -3.882 -0.196 1.00 0.40 H new ATOM 730 N SER A2096 -14.828 -5.484 0.389 1.00 0.30 N ATOM 731 CA SER A2096 -14.286 -6.831 0.320 1.00 0.35 C ATOM 732 C SER A2096 -13.618 -7.066 -1.027 1.00 0.30 C ATOM 733 O SER A2096 -12.600 -7.752 -1.128 1.00 0.38 O ATOM 734 CB SER A2096 -15.403 -7.852 0.546 1.00 0.51 C ATOM 735 OG SER A2096 -16.617 -7.351 -0.058 1.00 0.85 O ATOM 0 H SER A2096 -15.847 -5.441 0.387 1.00 0.30 H new ATOM 0 HA SER A2096 -13.535 -6.950 1.101 1.00 0.35 H new ATOM 0 HB2 SER A2096 -15.131 -8.813 0.108 1.00 0.51 H new ATOM 0 HB3 SER A2096 -15.552 -8.019 1.613 1.00 0.51 H new ATOM 740 N LEU A2097 -14.189 -6.453 -2.050 1.00 0.29 N ATOM 741 CA LEU A2097 -13.726 -6.624 -3.423 1.00 0.35 C ATOM 742 C LEU A2097 -12.425 -5.882 -3.650 1.00 0.26 C ATOM 743 O LEU A2097 -11.397 -6.471 -3.980 1.00 0.35 O ATOM 744 CB LEU A2097 -14.773 -6.099 -4.403 1.00 0.50 C ATOM 745 CG LEU A2097 -16.170 -6.636 -4.187 1.00 1.06 C ATOM 746 CD1 LEU A2097 -17.159 -6.003 -5.153 1.00 1.39 C ATOM 747 CD2 LEU A2097 -16.154 -8.130 -4.336 1.00 1.65 C ATOM 0 H LEU A2097 -14.986 -5.823 -1.956 1.00 0.29 H new ATOM 0 HA LEU A2097 -13.565 -7.689 -3.590 1.00 0.35 H new ATOM 0 HB2 LEU A2097 -14.802 -5.012 -4.333 1.00 0.50 H new ATOM 0 HB3 LEU A2097 -14.457 -6.345 -5.417 1.00 0.50 H new ATOM 0 HG LEU A2097 -16.496 -6.379 -3.179 1.00 1.06 H new ATOM 0 HD11 LEU A2097 -18.154 -6.409 -4.973 1.00 1.39 H new ATOM 0 HD12 LEU A2097 -17.175 -4.924 -5.002 1.00 1.39 H new ATOM 0 HD13 LEU A2097 -16.858 -6.222 -6.177 1.00 1.39 H new ATOM 0 HD21 LEU A2097 -17.159 -8.522 -4.181 1.00 1.65 H new ATOM 0 HD22 LEU A2097 -15.813 -8.392 -5.337 1.00 1.65 H new ATOM 0 HD23 LEU A2097 -15.478 -8.562 -3.598 1.00 1.65 H new ATOM 759 N THR A2098 -12.481 -4.580 -3.452 1.00 0.19 N ATOM 760 CA THR A2098 -11.351 -3.710 -3.730 1.00 0.16 C ATOM 761 C THR A2098 -10.177 -3.953 -2.791 1.00 0.15 C ATOM 762 O THR A2098 -9.072 -3.470 -3.035 1.00 0.19 O ATOM 763 CB THR A2098 -11.770 -2.235 -3.691 1.00 0.21 C ATOM 764 OG1 THR A2098 -12.751 -2.025 -2.659 1.00 0.26 O ATOM 765 CG2 THR A2098 -12.337 -1.824 -5.039 1.00 0.27 C ATOM 0 H THR A2098 -13.305 -4.096 -3.096 1.00 0.19 H new ATOM 0 HA THR A2098 -11.013 -3.956 -4.737 1.00 0.16 H new ATOM 0 HB THR A2098 -10.894 -1.624 -3.472 1.00 0.21 H new ATOM 0 HG1 THR A2098 -13.010 -1.080 -2.642 1.00 0.26 H new ATOM 0 HG21 THR A2098 -12.633 -0.775 -5.005 1.00 0.27 H new ATOM 0 HG22 THR A2098 -11.579 -1.962 -5.810 1.00 0.27 H new ATOM 0 HG23 THR A2098 -13.207 -2.439 -5.271 1.00 0.27 H new ATOM 773 N ALA A2099 -10.408 -4.723 -1.737 1.00 0.15 N ATOM 774 CA ALA A2099 -9.336 -5.103 -0.831 1.00 0.19 C ATOM 775 C ALA A2099 -8.285 -5.931 -1.560 1.00 0.22 C ATOM 776 O ALA A2099 -7.086 -5.757 -1.351 1.00 0.29 O ATOM 777 CB ALA A2099 -9.888 -5.870 0.359 1.00 0.21 C ATOM 0 H ALA A2099 -11.325 -5.095 -1.490 1.00 0.15 H new ATOM 0 HA ALA A2099 -8.861 -4.193 -0.463 1.00 0.19 H new ATOM 0 HB1 ALA A2099 -9.070 -6.145 1.025 1.00 0.21 H new ATOM 0 HB2 ALA A2099 -10.599 -5.244 0.897 1.00 0.21 H new ATOM 0 HB3 ALA A2099 -10.391 -6.772 0.009 1.00 0.21 H new ATOM 783 N LEU A2100 -8.725 -6.823 -2.434 1.00 0.22 N ATOM 784 CA LEU A2100 -7.791 -7.661 -3.163 1.00 0.27 C ATOM 785 C LEU A2100 -7.236 -6.916 -4.376 1.00 0.26 C ATOM 786 O LEU A2100 -6.054 -7.032 -4.689 1.00 0.29 O ATOM 787 CB LEU A2100 -8.436 -9.003 -3.554 1.00 0.31 C ATOM 788 CG LEU A2100 -9.716 -8.930 -4.391 1.00 0.33 C ATOM 789 CD1 LEU A2100 -9.401 -8.999 -5.877 1.00 0.36 C ATOM 790 CD2 LEU A2100 -10.671 -10.046 -3.997 1.00 0.40 C ATOM 0 H LEU A2100 -9.708 -6.983 -2.653 1.00 0.22 H new ATOM 0 HA LEU A2100 -6.951 -7.893 -2.508 1.00 0.27 H new ATOM 0 HB2 LEU A2100 -7.700 -9.586 -4.107 1.00 0.31 H new ATOM 0 HB3 LEU A2100 -8.658 -9.554 -2.640 1.00 0.31 H new ATOM 0 HG LEU A2100 -10.197 -7.972 -4.192 1.00 0.33 H new ATOM 0 HD11 LEU A2100 -10.328 -8.945 -6.448 1.00 0.36 H new ATOM 0 HD12 LEU A2100 -8.756 -8.164 -6.151 1.00 0.36 H new ATOM 0 HD13 LEU A2100 -8.893 -9.938 -6.098 1.00 0.36 H new ATOM 0 HD21 LEU A2100 -11.576 -9.981 -4.601 1.00 0.40 H new ATOM 0 HD22 LEU A2100 -10.192 -11.011 -4.164 1.00 0.40 H new ATOM 0 HD23 LEU A2100 -10.930 -9.948 -2.943 1.00 0.40 H new ATOM 802 N GLU A2101 -8.083 -6.120 -5.028 1.00 0.24 N ATOM 803 CA GLU A2101 -7.675 -5.333 -6.191 1.00 0.26 C ATOM 804 C GLU A2101 -6.587 -4.325 -5.823 1.00 0.24 C ATOM 805 O GLU A2101 -5.645 -4.100 -6.588 1.00 0.27 O ATOM 806 CB GLU A2101 -8.880 -4.587 -6.747 1.00 0.29 C ATOM 807 CG GLU A2101 -10.070 -5.471 -7.043 1.00 0.35 C ATOM 808 CD GLU A2101 -9.917 -6.238 -8.339 1.00 0.50 C ATOM 809 OE1 GLU A2101 -10.749 -6.031 -9.247 1.00 0.72 O ATOM 810 OE2 GLU A2101 -8.958 -7.027 -8.468 1.00 0.56 O ATOM 0 H GLU A2101 -9.062 -6.003 -4.768 1.00 0.24 H new ATOM 0 HA GLU A2101 -7.275 -6.016 -6.940 1.00 0.26 H new ATOM 0 HB2 GLU A2101 -9.180 -3.819 -6.033 1.00 0.29 H new ATOM 0 HB3 GLU A2101 -8.586 -4.074 -7.662 1.00 0.29 H new ATOM 0 HG2 GLU A2101 -10.208 -6.175 -6.222 1.00 0.35 H new ATOM 0 HG3 GLU A2101 -10.970 -4.858 -7.092 1.00 0.35 H new ATOM 817 N LEU A2102 -6.736 -3.704 -4.659 1.00 0.21 N ATOM 818 CA LEU A2102 -5.755 -2.759 -4.160 1.00 0.22 C ATOM 819 C LEU A2102 -4.407 -3.455 -4.026 1.00 0.24 C ATOM 820 O LEU A2102 -3.399 -3.011 -4.577 1.00 0.27 O ATOM 821 CB LEU A2102 -6.198 -2.252 -2.799 1.00 0.24 C ATOM 822 CG LEU A2102 -5.749 -0.845 -2.430 1.00 0.28 C ATOM 823 CD1 LEU A2102 -6.304 -0.500 -1.082 1.00 0.65 C ATOM 824 CD2 LEU A2102 -4.237 -0.711 -2.415 1.00 0.57 C ATOM 0 H LEU A2102 -7.536 -3.843 -4.041 1.00 0.21 H new ATOM 0 HA LEU A2102 -5.665 -1.922 -4.852 1.00 0.22 H new ATOM 0 HB2 LEU A2102 -7.287 -2.287 -2.758 1.00 0.24 H new ATOM 0 HB3 LEU A2102 -5.828 -2.941 -2.039 1.00 0.24 H new ATOM 0 HG LEU A2102 -6.124 -0.157 -3.188 1.00 0.28 H new ATOM 0 HD11 LEU A2102 -5.989 0.506 -0.806 1.00 0.65 H new ATOM 0 HD12 LEU A2102 -7.393 -0.544 -1.115 1.00 0.65 H new ATOM 0 HD13 LEU A2102 -5.934 -1.211 -0.343 1.00 0.65 H new ATOM 0 HD21 LEU A2102 -3.965 0.310 -2.147 1.00 0.57 H new ATOM 0 HD22 LEU A2102 -3.818 -1.402 -1.684 1.00 0.57 H new ATOM 0 HD23 LEU A2102 -3.841 -0.944 -3.404 1.00 0.57 H new ATOM 836 N ARG A2103 -4.416 -4.554 -3.279 1.00 0.26 N ATOM 837 CA ARG A2103 -3.238 -5.375 -3.083 1.00 0.34 C ATOM 838 C ARG A2103 -2.648 -5.806 -4.421 1.00 0.35 C ATOM 839 O ARG A2103 -1.435 -5.799 -4.596 1.00 0.43 O ATOM 840 CB ARG A2103 -3.609 -6.604 -2.269 1.00 0.48 C ATOM 841 CG ARG A2103 -2.423 -7.476 -1.938 1.00 0.94 C ATOM 842 CD ARG A2103 -2.862 -8.801 -1.350 1.00 0.77 C ATOM 843 NE ARG A2103 -3.338 -9.721 -2.385 1.00 0.94 N ATOM 844 CZ ARG A2103 -4.568 -10.235 -2.433 1.00 1.48 C ATOM 845 NH1 ARG A2103 -5.477 -9.903 -1.525 1.00 2.43 N ATOM 846 NH2 ARG A2103 -4.890 -11.081 -3.401 1.00 1.60 N ATOM 0 H ARG A2103 -5.245 -4.897 -2.793 1.00 0.26 H new ATOM 0 HA ARG A2103 -2.490 -4.789 -2.550 1.00 0.34 H new ATOM 0 HB2 ARG A2103 -4.089 -6.288 -1.343 1.00 0.48 H new ATOM 0 HB3 ARG A2103 -4.341 -7.192 -2.823 1.00 0.48 H new ATOM 0 HG2 ARG A2103 -1.836 -7.652 -2.839 1.00 0.94 H new ATOM 0 HG3 ARG A2103 -1.775 -6.959 -1.231 1.00 0.94 H new ATOM 0 HD2 ARG A2103 -2.029 -9.255 -0.814 1.00 0.77 H new ATOM 0 HD3 ARG A2103 -3.655 -8.631 -0.621 1.00 0.77 H new ATOM 0 HE ARG A2103 -2.683 -9.987 -3.121 1.00 0.94 H new ATOM 0 HH11 ARG A2103 -5.238 -9.248 -0.780 1.00 2.43 H new ATOM 0 HH12 ARG A2103 -6.414 -10.302 -1.572 1.00 2.43 H new ATOM 0 HH21 ARG A2103 -4.198 -11.337 -4.106 1.00 1.60 H new ATOM 0 HH22 ARG A2103 -5.829 -11.476 -3.441 1.00 1.60 H new ATOM 860 N ASN A2104 -3.516 -6.186 -5.352 1.00 0.33 N ATOM 861 CA ASN A2104 -3.106 -6.537 -6.709 1.00 0.38 C ATOM 862 C ASN A2104 -2.239 -5.439 -7.318 1.00 0.39 C ATOM 863 O ASN A2104 -1.235 -5.714 -7.975 1.00 0.48 O ATOM 864 CB ASN A2104 -4.338 -6.774 -7.589 1.00 0.39 C ATOM 865 CG ASN A2104 -5.004 -8.109 -7.322 1.00 0.43 C ATOM 866 OD1 ASN A2104 -4.354 -9.070 -6.909 1.00 0.47 O ATOM 867 ND2 ASN A2104 -6.302 -8.183 -7.573 1.00 0.44 N ATOM 0 H ASN A2104 -4.520 -6.260 -5.189 1.00 0.33 H new ATOM 0 HA ASN A2104 -2.518 -7.454 -6.659 1.00 0.38 H new ATOM 0 HB2 ASN A2104 -5.059 -5.974 -7.420 1.00 0.39 H new ATOM 0 HB3 ASN A2104 -4.045 -6.723 -8.638 1.00 0.39 H new ATOM 0 HD21 ASN A2104 -6.801 -9.060 -7.425 1.00 0.44 H new ATOM 0 HD22 ASN A2104 -6.803 -7.363 -7.914 1.00 0.44 H new ATOM 874 N THR A2105 -2.622 -4.195 -7.075 1.00 0.33 N ATOM 875 CA THR A2105 -1.868 -3.055 -7.567 1.00 0.39 C ATOM 876 C THR A2105 -0.563 -2.892 -6.777 1.00 0.42 C ATOM 877 O THR A2105 0.508 -2.701 -7.354 1.00 0.51 O ATOM 878 CB THR A2105 -2.708 -1.764 -7.473 1.00 0.41 C ATOM 879 OG1 THR A2105 -3.996 -1.978 -8.071 1.00 0.46 O ATOM 880 CG2 THR A2105 -2.012 -0.605 -8.173 1.00 0.51 C ATOM 0 H THR A2105 -3.454 -3.950 -6.538 1.00 0.33 H new ATOM 0 HA THR A2105 -1.624 -3.236 -8.614 1.00 0.39 H new ATOM 0 HB THR A2105 -2.826 -1.512 -6.419 1.00 0.41 H new ATOM 0 HG1 THR A2105 -4.524 -2.578 -7.504 1.00 0.46 H new ATOM 0 HG21 THR A2105 -2.626 0.292 -8.091 1.00 0.51 H new ATOM 0 HG22 THR A2105 -1.044 -0.426 -7.705 1.00 0.51 H new ATOM 0 HG23 THR A2105 -1.866 -0.850 -9.225 1.00 0.51 H new ATOM 888 N LEU A2106 -0.665 -2.991 -5.454 1.00 0.42 N ATOM 889 CA LEU A2106 0.493 -2.881 -4.565 1.00 0.55 C ATOM 890 C LEU A2106 1.543 -3.945 -4.871 1.00 0.54 C ATOM 891 O LEU A2106 2.732 -3.644 -4.947 1.00 0.56 O ATOM 892 CB LEU A2106 0.048 -3.012 -3.107 1.00 0.74 C ATOM 893 CG LEU A2106 -0.882 -1.911 -2.607 1.00 0.44 C ATOM 894 CD1 LEU A2106 -1.295 -2.180 -1.169 1.00 1.13 C ATOM 895 CD2 LEU A2106 -0.209 -0.553 -2.727 1.00 0.81 C ATOM 0 H LEU A2106 -1.548 -3.149 -4.968 1.00 0.42 H new ATOM 0 HA LEU A2106 0.942 -1.902 -4.731 1.00 0.55 H new ATOM 0 HB2 LEU A2106 -0.453 -3.972 -2.982 1.00 0.74 H new ATOM 0 HB3 LEU A2106 0.935 -3.031 -2.474 1.00 0.74 H new ATOM 0 HG LEU A2106 -1.779 -1.905 -3.227 1.00 0.44 H new ATOM 0 HD11 LEU A2106 -1.958 -1.386 -0.826 1.00 1.13 H new ATOM 0 HD12 LEU A2106 -1.815 -3.137 -1.113 1.00 1.13 H new ATOM 0 HD13 LEU A2106 -0.409 -2.211 -0.536 1.00 1.13 H new ATOM 0 HD21 LEU A2106 -0.886 0.222 -2.366 1.00 0.81 H new ATOM 0 HD22 LEU A2106 0.703 -0.545 -2.130 1.00 0.81 H new ATOM 0 HD23 LEU A2106 0.039 -0.361 -3.771 1.00 0.81 H new ATOM 907 N THR A2107 1.097 -5.181 -5.048 1.00 0.56 N ATOM 908 CA THR A2107 1.997 -6.294 -5.328 1.00 0.62 C ATOM 909 C THR A2107 2.780 -6.030 -6.614 1.00 0.60 C ATOM 910 O THR A2107 3.983 -6.279 -6.692 1.00 0.64 O ATOM 911 CB THR A2107 1.219 -7.620 -5.466 1.00 0.69 C ATOM 912 OG1 THR A2107 0.312 -7.771 -4.366 1.00 0.73 O ATOM 913 CG2 THR A2107 2.168 -8.809 -5.498 1.00 0.81 C ATOM 0 H THR A2107 0.112 -5.440 -5.002 1.00 0.56 H new ATOM 0 HA THR A2107 2.688 -6.381 -4.490 1.00 0.62 H new ATOM 0 HB THR A2107 0.664 -7.589 -6.403 1.00 0.69 H new ATOM 0 HG1 THR A2107 -0.548 -7.358 -4.592 1.00 0.73 H new ATOM 0 HG21 THR A2107 1.594 -9.730 -5.596 1.00 0.81 H new ATOM 0 HG22 THR A2107 2.845 -8.712 -6.347 1.00 0.81 H new ATOM 0 HG23 THR A2107 2.746 -8.838 -4.574 1.00 0.81 H new ATOM 921 N HIS A2108 2.087 -5.480 -7.603 1.00 0.58 N ATOM 922 CA HIS A2108 2.687 -5.174 -8.895 1.00 0.62 C ATOM 923 C HIS A2108 3.638 -3.978 -8.793 1.00 0.60 C ATOM 924 O HIS A2108 4.601 -3.873 -9.550 1.00 0.68 O ATOM 925 CB HIS A2108 1.575 -4.893 -9.915 1.00 0.68 C ATOM 926 CG HIS A2108 2.064 -4.571 -11.294 1.00 1.20 C ATOM 927 ND1 HIS A2108 2.450 -5.532 -12.201 1.00 1.74 N ATOM 928 CD2 HIS A2108 2.218 -3.382 -11.921 1.00 2.24 C ATOM 929 CE1 HIS A2108 2.819 -4.950 -13.325 1.00 2.48 C ATOM 930 NE2 HIS A2108 2.688 -3.646 -13.182 1.00 2.81 N ATOM 0 H HIS A2108 1.099 -5.235 -7.533 1.00 0.58 H new ATOM 0 HA HIS A2108 3.273 -6.032 -9.224 1.00 0.62 H new ATOM 0 HB2 HIS A2108 0.921 -5.763 -9.969 1.00 0.68 H new ATOM 0 HB3 HIS A2108 0.970 -4.061 -9.554 1.00 0.68 H new ATOM 0 HD2 HIS A2108 2.010 -2.407 -11.506 1.00 2.24 H new ATOM 0 HE1 HIS A2108 3.169 -5.456 -14.213 1.00 2.48 H new ATOM 0 HE2 HIS A2108 2.902 -2.947 -13.894 1.00 2.81 H new ATOM 939 N ASN A2109 3.369 -3.088 -7.847 1.00 0.57 N ATOM 940 CA ASN A2109 4.161 -1.875 -7.686 1.00 0.64 C ATOM 941 C ASN A2109 5.346 -2.105 -6.756 1.00 0.66 C ATOM 942 O ASN A2109 6.241 -1.262 -6.645 1.00 0.85 O ATOM 943 CB ASN A2109 3.274 -0.748 -7.158 1.00 0.82 C ATOM 944 CG ASN A2109 2.582 0.008 -8.275 1.00 1.61 C ATOM 945 OD1 ASN A2109 3.104 0.999 -8.787 1.00 1.85 O ATOM 946 ND2 ASN A2109 1.408 -0.455 -8.670 1.00 2.60 N ATOM 0 H ASN A2109 2.606 -3.184 -7.177 1.00 0.57 H new ATOM 0 HA ASN A2109 4.560 -1.592 -8.660 1.00 0.64 H new ATOM 0 HB2 ASN A2109 2.525 -1.163 -6.484 1.00 0.82 H new ATOM 0 HB3 ASN A2109 3.879 -0.055 -6.573 1.00 0.82 H new ATOM 0 HD21 ASN A2109 0.903 0.012 -9.423 1.00 2.60 H new ATOM 0 HD22 ASN A2109 1.008 -1.279 -8.221 1.00 2.60 H new ATOM 953 N THR A2110 5.345 -3.244 -6.088 1.00 0.65 N ATOM 954 CA THR A2110 6.434 -3.603 -5.200 1.00 0.78 C ATOM 955 C THR A2110 7.301 -4.700 -5.818 1.00 0.81 C ATOM 956 O THR A2110 8.526 -4.674 -5.712 1.00 1.02 O ATOM 957 CB THR A2110 5.905 -4.054 -3.825 1.00 0.83 C ATOM 958 OG1 THR A2110 4.904 -5.064 -3.993 1.00 0.72 O ATOM 959 CG2 THR A2110 5.315 -2.876 -3.063 1.00 1.03 C ATOM 0 H THR A2110 4.599 -3.938 -6.144 1.00 0.65 H new ATOM 0 HA THR A2110 7.048 -2.714 -5.055 1.00 0.78 H new ATOM 0 HB THR A2110 6.740 -4.460 -3.253 1.00 0.83 H new ATOM 0 HG1 THR A2110 4.080 -4.655 -4.332 1.00 0.72 H new ATOM 0 HG21 THR A2110 4.947 -3.216 -2.095 1.00 1.03 H new ATOM 0 HG22 THR A2110 6.084 -2.118 -2.913 1.00 1.03 H new ATOM 0 HG23 THR A2110 4.491 -2.449 -3.634 1.00 1.03 H new ATOM 967 N GLY A2111 6.660 -5.663 -6.468 1.00 0.72 N ATOM 968 CA GLY A2111 7.391 -6.692 -7.182 1.00 0.86 C ATOM 969 C GLY A2111 7.679 -7.906 -6.327 1.00 0.88 C ATOM 970 O GLY A2111 8.027 -8.967 -6.843 1.00 1.05 O ATOM 0 H GLY A2111 5.645 -5.750 -6.513 1.00 0.72 H new ATOM 0 HA2 GLY A2111 6.818 -6.997 -8.057 1.00 0.86 H new ATOM 0 HA3 GLY A2111 8.331 -6.278 -7.545 1.00 0.86 H new ATOM 974 N LEU A2112 7.536 -7.751 -5.020 1.00 0.84 N ATOM 975 CA LEU A2112 7.782 -8.842 -4.094 1.00 0.92 C ATOM 976 C LEU A2112 6.492 -9.598 -3.815 1.00 0.80 C ATOM 977 O LEU A2112 5.464 -9.348 -4.448 1.00 0.97 O ATOM 978 CB LEU A2112 8.421 -8.316 -2.798 1.00 1.21 C ATOM 979 CG LEU A2112 7.743 -7.111 -2.126 1.00 1.05 C ATOM 980 CD1 LEU A2112 6.454 -7.507 -1.423 1.00 1.45 C ATOM 981 CD2 LEU A2112 8.696 -6.471 -1.137 1.00 1.34 C ATOM 0 H LEU A2112 7.250 -6.878 -4.577 1.00 0.84 H new ATOM 0 HA LEU A2112 8.486 -9.539 -4.548 1.00 0.92 H new ATOM 0 HB2 LEU A2112 8.450 -9.134 -2.078 1.00 1.21 H new ATOM 0 HB3 LEU A2112 9.454 -8.046 -3.015 1.00 1.21 H new ATOM 0 HG LEU A2112 7.487 -6.395 -2.907 1.00 1.05 H new ATOM 0 HD11 LEU A2112 6.006 -6.627 -0.961 1.00 1.45 H new ATOM 0 HD12 LEU A2112 5.759 -7.929 -2.149 1.00 1.45 H new ATOM 0 HD13 LEU A2112 6.672 -8.249 -0.655 1.00 1.45 H new ATOM 0 HD21 LEU A2112 8.210 -5.618 -0.664 1.00 1.34 H new ATOM 0 HD22 LEU A2112 8.973 -7.199 -0.375 1.00 1.34 H new ATOM 0 HD23 LEU A2112 9.591 -6.135 -1.660 1.00 1.34 H new ATOM 993 N ASP A2113 6.548 -10.523 -2.875 1.00 0.77 N ATOM 994 CA ASP A2113 5.411 -11.379 -2.597 1.00 0.77 C ATOM 995 C ASP A2113 4.892 -11.161 -1.186 1.00 0.92 C ATOM 996 O ASP A2113 5.609 -11.359 -0.204 1.00 1.14 O ATOM 997 CB ASP A2113 5.783 -12.843 -2.809 1.00 0.83 C ATOM 998 CG ASP A2113 4.636 -13.781 -2.487 1.00 0.91 C ATOM 999 OD1 ASP A2113 4.696 -14.466 -1.446 1.00 0.90 O ATOM 1000 OD2 ASP A2113 3.664 -13.832 -3.267 1.00 1.18 O ATOM 0 H ASP A2113 7.367 -10.700 -2.293 1.00 0.77 H new ATOM 0 HA ASP A2113 4.613 -11.116 -3.292 1.00 0.77 H new ATOM 0 HB2 ASP A2113 6.091 -12.991 -3.844 1.00 0.83 H new ATOM 0 HB3 ASP A2113 6.640 -13.092 -2.183 1.00 0.83 H new ATOM 1005 N LEU A2114 3.644 -10.740 -1.105 1.00 1.05 N ATOM 1006 CA LEU A2114 2.990 -10.491 0.166 1.00 1.34 C ATOM 1007 C LEU A2114 1.709 -11.350 0.256 1.00 1.00 C ATOM 1008 O LEU A2114 1.388 -12.058 -0.703 1.00 1.04 O ATOM 1009 CB LEU A2114 2.742 -8.965 0.364 1.00 1.98 C ATOM 1010 CG LEU A2114 2.031 -8.169 -0.752 1.00 2.33 C ATOM 1011 CD1 LEU A2114 2.922 -7.975 -1.966 1.00 2.71 C ATOM 1012 CD2 LEU A2114 0.725 -8.824 -1.148 1.00 2.95 C ATOM 0 H LEU A2114 3.055 -10.561 -1.918 1.00 1.05 H new ATOM 0 HA LEU A2114 3.633 -10.792 0.993 1.00 1.34 H new ATOM 0 HB2 LEU A2114 2.160 -8.842 1.277 1.00 1.98 H new ATOM 0 HB3 LEU A2114 3.710 -8.495 0.538 1.00 1.98 H new ATOM 0 HG LEU A2114 1.809 -7.182 -0.345 1.00 2.33 H new ATOM 0 HD11 LEU A2114 2.383 -7.410 -2.727 1.00 2.71 H new ATOM 0 HD12 LEU A2114 3.819 -7.428 -1.675 1.00 2.71 H new ATOM 0 HD13 LEU A2114 3.205 -8.948 -2.369 1.00 2.71 H new ATOM 0 HD21 LEU A2114 0.249 -8.240 -1.935 1.00 2.95 H new ATOM 0 HD22 LEU A2114 0.920 -9.833 -1.512 1.00 2.95 H new ATOM 0 HD23 LEU A2114 0.065 -8.872 -0.282 1.00 2.95 H new ATOM 1024 N PRO A2115 0.958 -11.316 1.378 1.00 0.85 N ATOM 1025 CA PRO A2115 -0.155 -12.227 1.604 1.00 0.64 C ATOM 1026 C PRO A2115 -1.480 -11.681 1.085 1.00 0.57 C ATOM 1027 O PRO A2115 -1.670 -10.469 0.982 1.00 0.58 O ATOM 1028 CB PRO A2115 -0.200 -12.333 3.129 1.00 0.76 C ATOM 1029 CG PRO A2115 0.415 -11.071 3.650 1.00 0.98 C ATOM 1030 CD PRO A2115 1.087 -10.375 2.493 1.00 1.10 C ATOM 0 HA PRO A2115 -0.016 -13.175 1.084 1.00 0.64 H new ATOM 0 HB2 PRO A2115 -1.225 -12.442 3.482 1.00 0.76 H new ATOM 0 HB3 PRO A2115 0.351 -13.207 3.476 1.00 0.76 H new ATOM 0 HG2 PRO A2115 -0.347 -10.429 4.092 1.00 0.98 H new ATOM 0 HG3 PRO A2115 1.138 -11.294 4.434 1.00 0.98 H new ATOM 0 HD2 PRO A2115 0.606 -9.423 2.268 1.00 1.10 H new ATOM 0 HD3 PRO A2115 2.133 -10.159 2.712 1.00 1.10 H new ATOM 1038 N PRO A2116 -2.427 -12.579 0.769 1.00 0.57 N ATOM 1039 CA PRO A2116 -3.772 -12.195 0.330 1.00 0.62 C ATOM 1040 C PRO A2116 -4.555 -11.490 1.437 1.00 0.58 C ATOM 1041 O PRO A2116 -5.607 -10.905 1.195 1.00 0.68 O ATOM 1042 CB PRO A2116 -4.435 -13.529 -0.031 1.00 0.73 C ATOM 1043 CG PRO A2116 -3.662 -14.560 0.714 1.00 0.75 C ATOM 1044 CD PRO A2116 -2.254 -14.045 0.796 1.00 0.63 C ATOM 0 HA PRO A2116 -3.743 -11.489 -0.500 1.00 0.62 H new ATOM 0 HB2 PRO A2116 -5.486 -13.538 0.259 1.00 0.73 H new ATOM 0 HB3 PRO A2116 -4.399 -13.709 -1.105 1.00 0.73 H new ATOM 0 HG2 PRO A2116 -4.079 -14.716 1.709 1.00 0.75 H new ATOM 0 HG3 PRO A2116 -3.697 -15.520 0.200 1.00 0.75 H new ATOM 0 HD2 PRO A2116 -1.757 -14.375 1.709 1.00 0.63 H new ATOM 0 HD3 PRO A2116 -1.648 -14.394 -0.040 1.00 0.63 H new ATOM 1052 N THR A2117 -4.014 -11.534 2.645 1.00 0.54 N ATOM 1053 CA THR A2117 -4.636 -10.903 3.797 1.00 0.59 C ATOM 1054 C THR A2117 -4.101 -9.490 3.992 1.00 0.50 C ATOM 1055 O THR A2117 -4.453 -8.812 4.951 1.00 0.54 O ATOM 1056 CB THR A2117 -4.388 -11.729 5.067 1.00 0.73 C ATOM 1057 OG1 THR A2117 -3.011 -12.128 5.118 1.00 0.74 O ATOM 1058 CG2 THR A2117 -5.284 -12.957 5.097 1.00 0.86 C ATOM 0 H THR A2117 -3.134 -12.007 2.853 1.00 0.54 H new ATOM 0 HA THR A2117 -5.709 -10.852 3.612 1.00 0.59 H new ATOM 0 HB THR A2117 -4.623 -11.113 5.935 1.00 0.73 H new ATOM 0 HG1 THR A2117 -2.853 -12.654 5.930 1.00 0.74 H new ATOM 0 HG21 THR A2117 -5.090 -13.527 6.006 1.00 0.86 H new ATOM 0 HG22 THR A2117 -6.328 -12.646 5.079 1.00 0.86 H new ATOM 0 HG23 THR A2117 -5.076 -13.580 4.227 1.00 0.86 H new ATOM 1066 N LEU A2118 -3.232 -9.082 3.073 1.00 0.45 N ATOM 1067 CA LEU A2118 -2.641 -7.742 3.043 1.00 0.45 C ATOM 1068 C LEU A2118 -3.622 -6.642 3.486 1.00 0.41 C ATOM 1069 O LEU A2118 -3.467 -6.062 4.563 1.00 0.43 O ATOM 1070 CB LEU A2118 -2.153 -7.477 1.617 1.00 0.49 C ATOM 1071 CG LEU A2118 -1.067 -6.418 1.438 1.00 0.40 C ATOM 1072 CD1 LEU A2118 -1.647 -5.020 1.483 1.00 0.70 C ATOM 1073 CD2 LEU A2118 0.021 -6.592 2.476 1.00 0.65 C ATOM 0 H LEU A2118 -2.911 -9.682 2.313 1.00 0.45 H new ATOM 0 HA LEU A2118 -1.816 -7.711 3.755 1.00 0.45 H new ATOM 0 HB2 LEU A2118 -1.781 -8.416 1.207 1.00 0.49 H new ATOM 0 HB3 LEU A2118 -3.013 -7.185 1.014 1.00 0.49 H new ATOM 0 HG LEU A2118 -0.623 -6.554 0.452 1.00 0.40 H new ATOM 0 HD11 LEU A2118 -0.848 -4.290 1.353 1.00 0.70 H new ATOM 0 HD12 LEU A2118 -2.379 -4.904 0.683 1.00 0.70 H new ATOM 0 HD13 LEU A2118 -2.132 -4.858 2.445 1.00 0.70 H new ATOM 0 HD21 LEU A2118 0.786 -5.829 2.333 1.00 0.65 H new ATOM 0 HD22 LEU A2118 -0.408 -6.493 3.473 1.00 0.65 H new ATOM 0 HD23 LEU A2118 0.470 -7.580 2.371 1.00 0.65 H new ATOM 1085 N ILE A2119 -4.632 -6.364 2.662 1.00 0.38 N ATOM 1086 CA ILE A2119 -5.577 -5.285 2.948 1.00 0.40 C ATOM 1087 C ILE A2119 -6.587 -5.730 3.999 1.00 0.42 C ATOM 1088 O ILE A2119 -7.196 -4.915 4.686 1.00 0.50 O ATOM 1089 CB ILE A2119 -6.315 -4.841 1.661 1.00 0.42 C ATOM 1090 CG1 ILE A2119 -5.307 -4.418 0.591 1.00 0.40 C ATOM 1091 CG2 ILE A2119 -7.289 -3.704 1.943 1.00 0.42 C ATOM 1092 CD1 ILE A2119 -4.516 -3.183 0.952 1.00 0.33 C ATOM 0 H ILE A2119 -4.816 -6.868 1.795 1.00 0.38 H new ATOM 0 HA ILE A2119 -5.013 -4.435 3.333 1.00 0.40 H new ATOM 0 HB ILE A2119 -6.889 -5.692 1.295 1.00 0.42 H new ATOM 0 HG12 ILE A2119 -4.615 -5.241 0.411 1.00 0.40 H new ATOM 0 HG13 ILE A2119 -5.838 -4.238 -0.344 1.00 0.40 H new ATOM 0 HG21 ILE A2119 -7.790 -3.417 1.019 1.00 0.42 H new ATOM 0 HG22 ILE A2119 -8.031 -4.033 2.671 1.00 0.42 H new ATOM 0 HG23 ILE A2119 -6.744 -2.848 2.341 1.00 0.42 H new ATOM 0 HD11 ILE A2119 -3.823 -2.946 0.145 1.00 0.33 H new ATOM 0 HD12 ILE A2119 -5.197 -2.346 1.103 1.00 0.33 H new ATOM 0 HD13 ILE A2119 -3.956 -3.365 1.869 1.00 0.33 H new ATOM 1104 N PHE A2120 -6.727 -7.037 4.135 1.00 0.46 N ATOM 1105 CA PHE A2120 -7.643 -7.625 5.091 1.00 0.53 C ATOM 1106 C PHE A2120 -7.176 -7.337 6.513 1.00 0.52 C ATOM 1107 O PHE A2120 -7.985 -7.143 7.421 1.00 0.60 O ATOM 1108 CB PHE A2120 -7.721 -9.138 4.870 1.00 0.61 C ATOM 1109 CG PHE A2120 -8.380 -9.559 3.581 1.00 1.47 C ATOM 1110 CD1 PHE A2120 -9.419 -10.478 3.572 1.00 1.67 C ATOM 1111 CD2 PHE A2120 -7.962 -9.020 2.376 1.00 2.50 C ATOM 1112 CE1 PHE A2120 -10.025 -10.851 2.387 1.00 2.55 C ATOM 1113 CE2 PHE A2120 -8.564 -9.389 1.189 1.00 3.49 C ATOM 1114 CZ PHE A2120 -9.596 -10.364 1.214 1.00 3.43 C ATOM 0 H PHE A2120 -6.207 -7.720 3.584 1.00 0.46 H new ATOM 0 HA PHE A2120 -8.631 -7.187 4.948 1.00 0.53 H new ATOM 0 HB2 PHE A2120 -6.711 -9.546 4.895 1.00 0.61 H new ATOM 0 HB3 PHE A2120 -8.266 -9.584 5.702 1.00 0.61 H new ATOM 0 HD1 PHE A2120 -9.759 -10.908 4.503 1.00 1.67 H new ATOM 0 HD2 PHE A2120 -7.155 -8.302 2.364 1.00 2.50 H new ATOM 0 HE1 PHE A2120 -10.854 -11.543 2.406 1.00 2.55 H new ATOM 0 HE2 PHE A2120 -8.254 -8.943 0.256 1.00 3.49 H new ATOM 0 HZ PHE A2120 -10.034 -10.712 0.290 1.00 3.43 H new ATOM 1124 N ASP A2121 -5.862 -7.310 6.691 1.00 0.48 N ATOM 1125 CA ASP A2121 -5.267 -7.120 8.004 1.00 0.49 C ATOM 1126 C ASP A2121 -4.938 -5.657 8.251 1.00 0.45 C ATOM 1127 O ASP A2121 -5.235 -5.117 9.314 1.00 0.51 O ATOM 1128 CB ASP A2121 -3.983 -7.940 8.130 1.00 0.50 C ATOM 1129 CG ASP A2121 -3.573 -8.167 9.573 1.00 1.20 C ATOM 1130 OD1 ASP A2121 -3.183 -7.185 10.241 1.00 1.42 O ATOM 1131 OD2 ASP A2121 -3.645 -9.318 10.053 1.00 2.00 O ATOM 0 H ASP A2121 -5.185 -7.418 5.936 1.00 0.48 H new ATOM 0 HA ASP A2121 -5.995 -7.452 8.744 1.00 0.49 H new ATOM 0 HB2 ASP A2121 -4.123 -8.904 7.640 1.00 0.50 H new ATOM 0 HB3 ASP A2121 -3.177 -7.429 7.604 1.00 0.50 H new ATOM 1136 N HIS A2122 -4.329 -5.007 7.261 1.00 0.38 N ATOM 1137 CA HIS A2122 -3.819 -3.653 7.458 1.00 0.37 C ATOM 1138 C HIS A2122 -4.448 -2.666 6.482 1.00 0.34 C ATOM 1139 O HIS A2122 -3.735 -2.092 5.661 1.00 0.32 O ATOM 1140 CB HIS A2122 -2.284 -3.589 7.266 1.00 0.35 C ATOM 1141 CG HIS A2122 -1.549 -4.865 7.574 1.00 0.45 C ATOM 1142 ND1 HIS A2122 -1.313 -5.965 6.812 1.00 0.63 N flip ATOM 1143 CD2 HIS A2122 -0.940 -5.107 8.786 1.00 0.51 C flip ATOM 1144 CE1 HIS A2122 -0.574 -6.832 7.576 1.00 0.71 C flip ATOM 1145 NE2 HIS A2122 -0.364 -6.293 8.760 1.00 0.63 N flip ATOM 0 H HIS A2122 -4.178 -5.390 6.328 1.00 0.38 H new ATOM 0 HA HIS A2122 -4.080 -3.382 8.481 1.00 0.37 H new ATOM 0 HB2 HIS A2122 -2.074 -3.307 6.234 1.00 0.35 H new ATOM 0 HB3 HIS A2122 -1.887 -2.797 7.900 1.00 0.35 H new ATOM 0 HD1 HIS A2122 -1.626 -6.117 5.853 1.00 0.63 H new ATOM 0 HD2 HIS A2122 -0.935 -4.430 9.627 1.00 0.51 H new ATOM 0 HE1 HIS A2122 -0.221 -7.802 7.258 1.00 0.71 H new ATOM 1154 N PRO A2123 -5.768 -2.413 6.524 1.00 0.36 N ATOM 1155 CA PRO A2123 -6.324 -1.411 5.639 1.00 0.34 C ATOM 1156 C PRO A2123 -6.083 -0.024 6.214 1.00 0.32 C ATOM 1157 O PRO A2123 -6.779 0.421 7.128 1.00 0.36 O ATOM 1158 CB PRO A2123 -7.814 -1.753 5.631 1.00 0.40 C ATOM 1159 CG PRO A2123 -8.077 -2.414 6.947 1.00 0.43 C ATOM 1160 CD PRO A2123 -6.776 -3.025 7.405 1.00 0.41 C ATOM 0 HA PRO A2123 -5.886 -1.407 4.641 1.00 0.34 H new ATOM 0 HB2 PRO A2123 -8.422 -0.856 5.513 1.00 0.40 H new ATOM 0 HB3 PRO A2123 -8.060 -2.416 4.802 1.00 0.40 H new ATOM 0 HG2 PRO A2123 -8.440 -1.690 7.676 1.00 0.43 H new ATOM 0 HG3 PRO A2123 -8.847 -3.179 6.847 1.00 0.43 H new ATOM 0 HD2 PRO A2123 -6.578 -2.803 8.454 1.00 0.41 H new ATOM 0 HD3 PRO A2123 -6.787 -4.110 7.306 1.00 0.41 H new ATOM 1168 N THR A2124 -5.126 0.667 5.618 1.00 0.27 N ATOM 1169 CA THR A2124 -4.685 1.975 6.078 1.00 0.23 C ATOM 1170 C THR A2124 -3.624 2.506 5.121 1.00 0.22 C ATOM 1171 O THR A2124 -2.834 1.718 4.604 1.00 0.26 O ATOM 1172 CB THR A2124 -4.100 1.910 7.508 1.00 0.31 C ATOM 1173 OG1 THR A2124 -3.837 0.545 7.868 1.00 0.50 O ATOM 1174 CG2 THR A2124 -5.040 2.542 8.526 1.00 0.29 C ATOM 0 H THR A2124 -4.628 0.333 4.793 1.00 0.27 H new ATOM 0 HA THR A2124 -5.549 2.639 6.100 1.00 0.23 H new ATOM 0 HB THR A2124 -3.168 2.476 7.514 1.00 0.31 H new ATOM 0 HG1 THR A2124 -3.618 0.495 8.822 1.00 0.50 H new ATOM 0 HG21 THR A2124 -4.596 2.478 9.520 1.00 0.29 H new ATOM 0 HG22 THR A2124 -5.205 3.588 8.269 1.00 0.29 H new ATOM 0 HG23 THR A2124 -5.993 2.012 8.519 1.00 0.29 H new ATOM 1182 N PRO A2125 -3.567 3.814 4.859 1.00 0.19 N ATOM 1183 CA PRO A2125 -2.555 4.371 3.959 1.00 0.18 C ATOM 1184 C PRO A2125 -1.141 4.235 4.524 1.00 0.17 C ATOM 1185 O PRO A2125 -0.289 3.561 3.938 1.00 0.20 O ATOM 1186 CB PRO A2125 -2.944 5.851 3.832 1.00 0.22 C ATOM 1187 CG PRO A2125 -4.335 5.944 4.368 1.00 0.25 C ATOM 1188 CD PRO A2125 -4.466 4.847 5.383 1.00 0.24 C ATOM 0 HA PRO A2125 -2.534 3.847 3.004 1.00 0.18 H new ATOM 0 HB2 PRO A2125 -2.262 6.486 4.397 1.00 0.22 H new ATOM 0 HB3 PRO A2125 -2.900 6.181 2.794 1.00 0.22 H new ATOM 0 HG2 PRO A2125 -4.513 6.919 4.823 1.00 0.25 H new ATOM 0 HG3 PRO A2125 -5.068 5.826 3.570 1.00 0.25 H new ATOM 0 HD2 PRO A2125 -4.167 5.178 6.378 1.00 0.24 H new ATOM 0 HD3 PRO A2125 -5.492 4.489 5.462 1.00 0.24 H new ATOM 1196 N HIS A2126 -0.906 4.840 5.685 1.00 0.23 N ATOM 1197 CA HIS A2126 0.434 4.890 6.262 1.00 0.31 C ATOM 1198 C HIS A2126 0.877 3.522 6.772 1.00 0.29 C ATOM 1199 O HIS A2126 2.060 3.191 6.730 1.00 0.32 O ATOM 1200 CB HIS A2126 0.487 5.913 7.401 1.00 0.45 C ATOM 1201 CG HIS A2126 1.846 6.064 8.017 1.00 0.58 C ATOM 1202 ND1 HIS A2126 2.864 6.792 7.439 1.00 0.65 N ATOM 1203 CD2 HIS A2126 2.355 5.559 9.163 1.00 0.71 C ATOM 1204 CE1 HIS A2126 3.939 6.722 8.201 1.00 0.77 C ATOM 1205 NE2 HIS A2126 3.657 5.983 9.254 1.00 0.80 N ATOM 0 H HIS A2126 -1.624 5.301 6.244 1.00 0.23 H new ATOM 0 HA HIS A2126 1.120 5.195 5.472 1.00 0.31 H new ATOM 0 HB2 HIS A2126 0.161 6.882 7.022 1.00 0.45 H new ATOM 0 HB3 HIS A2126 -0.222 5.618 8.175 1.00 0.45 H new ATOM 0 HD2 HIS A2126 1.833 4.937 9.875 1.00 0.71 H new ATOM 0 HE1 HIS A2126 4.890 7.192 7.996 1.00 0.77 H new ATOM 0 HE2 HIS A2126 4.301 5.762 10.013 1.00 0.80 H new ATOM 1214 N ALA A2127 -0.065 2.736 7.261 1.00 0.28 N ATOM 1215 CA ALA A2127 0.256 1.430 7.811 1.00 0.29 C ATOM 1216 C ALA A2127 0.742 0.477 6.729 1.00 0.26 C ATOM 1217 O ALA A2127 1.673 -0.300 6.953 1.00 0.30 O ATOM 1218 CB ALA A2127 -0.937 0.857 8.537 1.00 0.34 C ATOM 0 H ALA A2127 -1.056 2.977 7.289 1.00 0.28 H new ATOM 0 HA ALA A2127 1.069 1.556 8.526 1.00 0.29 H new ATOM 0 HB1 ALA A2127 -0.680 -0.121 8.943 1.00 0.34 H new ATOM 0 HB2 ALA A2127 -1.223 1.524 9.350 1.00 0.34 H new ATOM 0 HB3 ALA A2127 -1.771 0.754 7.842 1.00 0.34 H new ATOM 1224 N LEU A2128 0.114 0.531 5.555 1.00 0.22 N ATOM 1225 CA LEU A2128 0.612 -0.211 4.412 1.00 0.21 C ATOM 1226 C LEU A2128 2.004 0.284 4.045 1.00 0.21 C ATOM 1227 O LEU A2128 2.885 -0.507 3.707 1.00 0.23 O ATOM 1228 CB LEU A2128 -0.318 -0.067 3.211 1.00 0.21 C ATOM 1229 CG LEU A2128 -1.621 -0.854 3.295 1.00 0.37 C ATOM 1230 CD1 LEU A2128 -2.364 -0.760 1.980 1.00 0.60 C ATOM 1231 CD2 LEU A2128 -1.346 -2.308 3.662 1.00 0.64 C ATOM 0 H LEU A2128 -0.730 1.076 5.377 1.00 0.22 H new ATOM 0 HA LEU A2128 0.655 -1.266 4.684 1.00 0.21 H new ATOM 0 HB2 LEU A2128 -0.558 0.988 3.084 1.00 0.21 H new ATOM 0 HB3 LEU A2128 0.220 -0.382 2.317 1.00 0.21 H new ATOM 0 HG LEU A2128 -2.245 -0.424 4.078 1.00 0.37 H new ATOM 0 HD11 LEU A2128 -3.294 -1.324 2.046 1.00 0.60 H new ATOM 0 HD12 LEU A2128 -2.588 0.284 1.763 1.00 0.60 H new ATOM 0 HD13 LEU A2128 -1.746 -1.172 1.183 1.00 0.60 H new ATOM 0 HD21 LEU A2128 -2.288 -2.854 3.717 1.00 0.64 H new ATOM 0 HD22 LEU A2128 -0.708 -2.761 2.903 1.00 0.64 H new ATOM 0 HD23 LEU A2128 -0.845 -2.351 4.629 1.00 0.64 H new ATOM 1243 N THR A2129 2.187 1.604 4.129 1.00 0.21 N ATOM 1244 CA THR A2129 3.486 2.224 3.902 1.00 0.24 C ATOM 1245 C THR A2129 4.552 1.568 4.759 1.00 0.25 C ATOM 1246 O THR A2129 5.567 1.103 4.253 1.00 0.33 O ATOM 1247 CB THR A2129 3.445 3.733 4.218 1.00 0.27 C ATOM 1248 OG1 THR A2129 2.478 4.381 3.386 1.00 0.27 O ATOM 1249 CG2 THR A2129 4.813 4.382 4.031 1.00 0.32 C ATOM 0 H THR A2129 1.443 2.265 4.355 1.00 0.21 H new ATOM 0 HA THR A2129 3.731 2.087 2.849 1.00 0.24 H new ATOM 0 HB THR A2129 3.160 3.848 5.264 1.00 0.27 H new ATOM 0 HG1 THR A2129 1.577 4.100 3.651 1.00 0.27 H new ATOM 0 HG21 THR A2129 4.746 5.445 4.262 1.00 0.32 H new ATOM 0 HG22 THR A2129 5.534 3.910 4.698 1.00 0.32 H new ATOM 0 HG23 THR A2129 5.138 4.255 2.998 1.00 0.32 H new ATOM 1257 N GLN A2130 4.295 1.515 6.053 1.00 0.25 N ATOM 1258 CA GLN A2130 5.224 0.922 7.000 1.00 0.28 C ATOM 1259 C GLN A2130 5.480 -0.539 6.659 1.00 0.23 C ATOM 1260 O GLN A2130 6.612 -1.007 6.721 1.00 0.22 O ATOM 1261 CB GLN A2130 4.668 1.027 8.418 1.00 0.38 C ATOM 1262 CG GLN A2130 4.251 2.432 8.817 1.00 0.52 C ATOM 1263 CD GLN A2130 5.322 3.197 9.578 1.00 1.39 C ATOM 1264 OE1 GLN A2130 5.014 4.011 10.447 1.00 2.22 O ATOM 1265 NE2 GLN A2130 6.580 2.960 9.258 1.00 1.90 N ATOM 0 H GLN A2130 3.442 1.879 6.476 1.00 0.25 H new ATOM 0 HA GLN A2130 6.166 1.467 6.940 1.00 0.28 H new ATOM 0 HB2 GLN A2130 3.808 0.364 8.510 1.00 0.38 H new ATOM 0 HB3 GLN A2130 5.422 0.670 9.120 1.00 0.38 H new ATOM 0 HG2 GLN A2130 3.987 2.991 7.919 1.00 0.52 H new ATOM 0 HG3 GLN A2130 3.353 2.374 9.432 1.00 0.52 H new ATOM 0 HE21 GLN A2130 6.802 2.278 8.532 1.00 1.90 H new ATOM 0 HE22 GLN A2130 7.330 3.458 9.736 1.00 1.90 H new ATOM 1274 N HIS A2131 4.428 -1.249 6.274 1.00 0.25 N ATOM 1275 CA HIS A2131 4.542 -2.669 5.967 1.00 0.27 C ATOM 1276 C HIS A2131 5.472 -2.895 4.785 1.00 0.26 C ATOM 1277 O HIS A2131 6.442 -3.647 4.878 1.00 0.30 O ATOM 1278 CB HIS A2131 3.170 -3.276 5.670 1.00 0.32 C ATOM 1279 CG HIS A2131 3.236 -4.738 5.348 1.00 0.40 C ATOM 1280 ND1 HIS A2131 3.859 -5.659 6.161 1.00 0.52 N ATOM 1281 CD2 HIS A2131 2.802 -5.426 4.268 1.00 0.42 C ATOM 1282 CE1 HIS A2131 3.813 -6.846 5.593 1.00 0.59 C ATOM 1283 NE2 HIS A2131 3.176 -6.734 4.445 1.00 0.53 N ATOM 0 H HIS A2131 3.488 -0.867 6.167 1.00 0.25 H new ATOM 0 HA HIS A2131 4.961 -3.163 6.843 1.00 0.27 H new ATOM 0 HB2 HIS A2131 2.519 -3.128 6.531 1.00 0.32 H new ATOM 0 HB3 HIS A2131 2.717 -2.745 4.833 1.00 0.32 H new ATOM 0 HD2 HIS A2131 2.262 -5.022 3.424 1.00 0.42 H new ATOM 0 HE1 HIS A2131 4.227 -7.757 5.999 1.00 0.59 H new ATOM 0 HE2 HIS A2131 2.991 -7.497 3.793 1.00 0.53 H new ATOM 1292 N LEU A2132 5.176 -2.240 3.675 1.00 0.27 N ATOM 1293 CA LEU A2132 5.989 -2.388 2.474 1.00 0.33 C ATOM 1294 C LEU A2132 7.354 -1.732 2.655 1.00 0.35 C ATOM 1295 O LEU A2132 8.311 -2.074 1.962 1.00 0.47 O ATOM 1296 CB LEU A2132 5.273 -1.832 1.239 1.00 0.36 C ATOM 1297 CG LEU A2132 4.201 -2.751 0.629 1.00 0.42 C ATOM 1298 CD1 LEU A2132 4.754 -4.153 0.398 1.00 0.48 C ATOM 1299 CD2 LEU A2132 2.959 -2.806 1.506 1.00 0.42 C ATOM 0 H LEU A2132 4.385 -1.604 3.578 1.00 0.27 H new ATOM 0 HA LEU A2132 6.144 -3.455 2.311 1.00 0.33 H new ATOM 0 HB2 LEU A2132 4.806 -0.884 1.507 1.00 0.36 H new ATOM 0 HB3 LEU A2132 6.019 -1.615 0.475 1.00 0.36 H new ATOM 0 HG LEU A2132 3.915 -2.331 -0.335 1.00 0.42 H new ATOM 0 HD11 LEU A2132 3.977 -4.784 -0.034 1.00 0.48 H new ATOM 0 HD12 LEU A2132 5.602 -4.102 -0.286 1.00 0.48 H new ATOM 0 HD13 LEU A2132 5.079 -4.577 1.348 1.00 0.48 H new ATOM 0 HD21 LEU A2132 2.219 -3.463 1.049 1.00 0.42 H new ATOM 0 HD22 LEU A2132 3.226 -3.190 2.491 1.00 0.42 H new ATOM 0 HD23 LEU A2132 2.541 -1.805 1.608 1.00 0.42 H new ATOM 1311 N HIS A2133 7.444 -0.803 3.597 1.00 0.28 N ATOM 1312 CA HIS A2133 8.717 -0.189 3.939 1.00 0.34 C ATOM 1313 C HIS A2133 9.571 -1.180 4.725 1.00 0.38 C ATOM 1314 O HIS A2133 10.789 -1.230 4.563 1.00 0.55 O ATOM 1315 CB HIS A2133 8.480 1.091 4.746 1.00 0.36 C ATOM 1316 CG HIS A2133 9.724 1.833 5.106 1.00 0.47 C ATOM 1317 ND1 HIS A2133 10.027 2.221 6.389 1.00 0.59 N ATOM 1318 CD2 HIS A2133 10.730 2.285 4.332 1.00 0.53 C ATOM 1319 CE1 HIS A2133 11.165 2.882 6.388 1.00 0.67 C ATOM 1320 NE2 HIS A2133 11.617 2.937 5.150 1.00 0.63 N ATOM 0 H HIS A2133 6.650 -0.459 4.137 1.00 0.28 H new ATOM 0 HA HIS A2133 9.250 0.078 3.026 1.00 0.34 H new ATOM 0 HB2 HIS A2133 7.830 1.752 4.173 1.00 0.36 H new ATOM 0 HB3 HIS A2133 7.946 0.835 5.661 1.00 0.36 H new ATOM 0 HD2 HIS A2133 10.821 2.157 3.263 1.00 0.53 H new ATOM 0 HE1 HIS A2133 11.648 3.308 7.255 1.00 0.67 H new ATOM 0 HE2 HIS A2133 12.481 3.389 4.851 1.00 0.63 H new ATOM 1329 N THR A2134 8.911 -1.986 5.549 1.00 0.32 N ATOM 1330 CA THR A2134 9.584 -3.004 6.338 1.00 0.43 C ATOM 1331 C THR A2134 10.134 -4.101 5.431 1.00 0.51 C ATOM 1332 O THR A2134 11.154 -4.715 5.734 1.00 0.66 O ATOM 1333 CB THR A2134 8.630 -3.618 7.386 1.00 0.55 C ATOM 1334 OG1 THR A2134 8.064 -2.580 8.197 1.00 0.59 O ATOM 1335 CG2 THR A2134 9.356 -4.612 8.279 1.00 0.74 C ATOM 0 H THR A2134 7.901 -1.951 5.687 1.00 0.32 H new ATOM 0 HA THR A2134 10.411 -2.527 6.864 1.00 0.43 H new ATOM 0 HB THR A2134 7.840 -4.146 6.851 1.00 0.55 H new ATOM 0 HG1 THR A2134 7.432 -2.055 7.663 1.00 0.59 H new ATOM 0 HG21 THR A2134 8.657 -5.026 9.006 1.00 0.74 H new ATOM 0 HG22 THR A2134 9.765 -5.417 7.669 1.00 0.74 H new ATOM 0 HG23 THR A2134 10.167 -4.106 8.803 1.00 0.74 H new ATOM 1343 N ARG A2135 9.461 -4.321 4.303 1.00 0.52 N ATOM 1344 CA ARG A2135 9.897 -5.314 3.324 1.00 0.71 C ATOM 1345 C ARG A2135 11.339 -5.059 2.900 1.00 0.88 C ATOM 1346 O ARG A2135 12.148 -5.979 2.789 1.00 1.12 O ATOM 1347 CB ARG A2135 9.008 -5.267 2.080 1.00 0.76 C ATOM 1348 CG ARG A2135 7.555 -5.613 2.343 1.00 0.74 C ATOM 1349 CD ARG A2135 7.416 -6.993 2.949 1.00 0.86 C ATOM 1350 NE ARG A2135 8.057 -8.035 2.148 1.00 1.75 N ATOM 1351 CZ ARG A2135 8.170 -9.303 2.543 1.00 2.11 C ATOM 1352 NH1 ARG A2135 7.700 -9.673 3.727 1.00 1.86 N ATOM 1353 NH2 ARG A2135 8.760 -10.197 1.760 1.00 3.18 N ATOM 0 H ARG A2135 8.609 -3.823 4.044 1.00 0.52 H new ATOM 0 HA ARG A2135 9.823 -6.294 3.795 1.00 0.71 H new ATOM 0 HB2 ARG A2135 9.060 -4.268 1.647 1.00 0.76 H new ATOM 0 HB3 ARG A2135 9.406 -5.957 1.336 1.00 0.76 H new ATOM 0 HG2 ARG A2135 7.119 -4.874 3.015 1.00 0.74 H new ATOM 0 HG3 ARG A2135 6.994 -5.566 1.410 1.00 0.74 H new ATOM 0 HD2 ARG A2135 7.852 -6.991 3.948 1.00 0.86 H new ATOM 0 HD3 ARG A2135 6.358 -7.229 3.063 1.00 0.86 H new ATOM 0 HE ARG A2135 8.438 -7.778 1.238 1.00 1.75 H new ATOM 0 HH11 ARG A2135 7.252 -8.987 4.335 1.00 1.86 H new ATOM 0 HH12 ARG A2135 7.786 -10.643 4.029 1.00 1.86 H new ATOM 0 HH21 ARG A2135 9.129 -9.915 0.852 1.00 3.18 H new ATOM 0 HH22 ARG A2135 8.844 -11.166 2.066 1.00 3.18 H new ATOM 1367 N LEU A2136 11.643 -3.791 2.674 1.00 0.92 N ATOM 1368 CA LEU A2136 12.929 -3.378 2.156 1.00 1.20 C ATOM 1369 C LEU A2136 13.950 -3.216 3.271 1.00 1.16 C ATOM 1370 O LEU A2136 15.138 -3.493 3.090 1.00 1.43 O ATOM 1371 CB LEU A2136 12.753 -2.061 1.424 1.00 1.43 C ATOM 1372 CG LEU A2136 11.645 -2.056 0.376 1.00 1.71 C ATOM 1373 CD1 LEU A2136 11.442 -0.663 -0.175 1.00 2.17 C ATOM 1374 CD2 LEU A2136 11.967 -3.027 -0.743 1.00 2.37 C ATOM 0 H LEU A2136 10.999 -3.019 2.847 1.00 0.92 H new ATOM 0 HA LEU A2136 13.301 -4.146 1.478 1.00 1.20 H new ATOM 0 HB2 LEU A2136 12.546 -1.280 2.155 1.00 1.43 H new ATOM 0 HB3 LEU A2136 13.694 -1.802 0.939 1.00 1.43 H new ATOM 0 HG LEU A2136 10.719 -2.376 0.854 1.00 1.71 H new ATOM 0 HD11 LEU A2136 10.648 -0.679 -0.921 1.00 2.17 H new ATOM 0 HD12 LEU A2136 11.165 0.012 0.635 1.00 2.17 H new ATOM 0 HD13 LEU A2136 12.366 -0.316 -0.637 1.00 2.17 H new ATOM 0 HD21 LEU A2136 11.165 -3.010 -1.481 1.00 2.37 H new ATOM 0 HD22 LEU A2136 12.904 -2.737 -1.218 1.00 2.37 H new ATOM 0 HD23 LEU A2136 12.063 -4.033 -0.335 1.00 2.37 H new ATOM 1386 N THR A2137 13.484 -2.764 4.425 1.00 0.96 N ATOM 1387 CA THR A2137 14.360 -2.545 5.560 1.00 1.08 C ATOM 1388 C THR A2137 14.768 -3.876 6.186 1.00 1.17 C ATOM 1389 O THR A2137 15.731 -3.949 6.945 1.00 1.41 O ATOM 1390 CB THR A2137 13.691 -1.642 6.611 1.00 1.13 C ATOM 1391 OG1 THR A2137 12.409 -2.171 6.967 1.00 1.23 O ATOM 1392 CG2 THR A2137 13.528 -0.220 6.077 1.00 1.15 C ATOM 0 H THR A2137 12.504 -2.542 4.598 1.00 0.96 H new ATOM 0 HA THR A2137 15.255 -2.039 5.199 1.00 1.08 H new ATOM 0 HB THR A2137 14.330 -1.613 7.494 1.00 1.13 H new ATOM 0 HG1 THR A2137 12.075 -1.710 7.764 1.00 1.23 H new ATOM 0 HG21 THR A2137 13.053 0.401 6.836 1.00 1.15 H new ATOM 0 HG22 THR A2137 14.507 0.191 5.832 1.00 1.15 H new ATOM 0 HG23 THR A2137 12.907 -0.237 5.181 1.00 1.15 H new ATOM 1400 N GLN A2138 14.017 -4.923 5.855 1.00 1.17 N ATOM 1401 CA GLN A2138 14.341 -6.278 6.262 1.00 1.45 C ATOM 1402 C GLN A2138 15.665 -6.731 5.654 1.00 1.71 C ATOM 1403 O GLN A2138 16.526 -7.276 6.346 1.00 2.00 O ATOM 1404 CB GLN A2138 13.222 -7.222 5.833 1.00 1.78 C ATOM 1405 CG GLN A2138 12.147 -7.418 6.886 1.00 1.32 C ATOM 1406 CD GLN A2138 11.044 -8.350 6.429 1.00 1.91 C ATOM 1407 OE1 GLN A2138 11.261 -9.234 5.596 1.00 2.46 O ATOM 1408 NE2 GLN A2138 9.855 -8.173 6.980 1.00 2.57 N ATOM 0 H GLN A2138 13.167 -4.851 5.296 1.00 1.17 H new ATOM 0 HA GLN A2138 14.442 -6.298 7.347 1.00 1.45 H new ATOM 0 HB2 GLN A2138 12.761 -6.834 4.925 1.00 1.78 H new ATOM 0 HB3 GLN A2138 13.653 -8.191 5.583 1.00 1.78 H new ATOM 0 HG2 GLN A2138 12.601 -7.817 7.793 1.00 1.32 H new ATOM 0 HG3 GLN A2138 11.716 -6.451 7.144 1.00 1.32 H new ATOM 0 HE21 GLN A2138 9.716 -7.430 7.665 1.00 2.57 H new ATOM 0 HE22 GLN A2138 9.077 -8.779 6.720 1.00 2.57 H new ATOM 1417 N SER A2139 15.820 -6.500 4.358 1.00 1.82 N ATOM 1418 CA SER A2139 17.036 -6.874 3.654 1.00 2.34 C ATOM 1419 C SER A2139 18.158 -5.874 3.931 1.00 2.85 C ATOM 1420 O SER A2139 18.166 -4.765 3.391 1.00 3.41 O ATOM 1421 CB SER A2139 16.751 -6.969 2.153 1.00 2.99 C ATOM 1422 OG SER A2139 15.913 -5.905 1.724 1.00 3.48 O ATOM 0 H SER A2139 15.115 -6.053 3.772 1.00 1.82 H new ATOM 0 HA SER A2139 17.367 -7.848 4.015 1.00 2.34 H new ATOM 0 HB2 SER A2139 17.689 -6.943 1.599 1.00 2.99 H new ATOM 0 HB3 SER A2139 16.275 -7.924 1.930 1.00 2.99 H new ATOM 0 HG SER A2139 16.173 -5.079 2.183 1.00 3.48 H new ATOM 1428 N HIS A2140 19.095 -6.266 4.784 1.00 3.20 N ATOM 1429 CA HIS A2140 20.202 -5.396 5.158 1.00 4.12 C ATOM 1430 C HIS A2140 21.419 -5.681 4.293 1.00 4.36 C ATOM 1431 O HIS A2140 21.648 -4.925 3.326 1.00 4.66 O ATOM 1432 CB HIS A2140 20.556 -5.569 6.631 1.00 4.76 C ATOM 1433 CG HIS A2140 19.438 -5.233 7.563 1.00 5.33 C ATOM 1434 ND1 HIS A2140 18.853 -6.158 8.396 1.00 6.07 N ATOM 1435 CD2 HIS A2140 18.798 -4.066 7.791 1.00 5.72 C ATOM 1436 CE1 HIS A2140 17.898 -5.575 9.095 1.00 6.78 C ATOM 1437 NE2 HIS A2140 17.843 -4.303 8.748 1.00 6.61 N ATOM 1438 OXT HIS A2140 22.133 -6.666 4.571 1.00 4.63 O ATOM 0 H HIS A2140 19.110 -7.183 5.231 1.00 3.20 H new ATOM 0 HA HIS A2140 19.889 -4.365 4.997 1.00 4.12 H new ATOM 0 HB2 HIS A2140 20.862 -6.601 6.803 1.00 4.76 H new ATOM 0 HB3 HIS A2140 21.414 -4.939 6.865 1.00 4.76 H new ATOM 0 HD2 HIS A2140 19.000 -3.121 7.309 1.00 5.72 H new ATOM 0 HE1 HIS A2140 17.268 -6.057 9.827 1.00 6.78 H new ATOM 0 HE2 HIS A2140 17.198 -3.611 9.128 1.00 6.61 H new TER 1447 HIS A2140 HETATM 1448 P24 66S A2201 -17.793 -6.881 0.893 1.00 1.26 P HETATM 1449 O26 66S A2201 -17.350 -6.715 2.301 1.00 2.02 O HETATM 1450 O23 66S A2201 -18.435 -5.642 0.403 1.00 2.14 O HETATM 1451 O27 66S A2201 -18.738 -8.140 0.722 1.00 1.51 O HETATM 1452 C28 66S A2201 -19.399 -8.314 -0.554 1.00 1.76 C HETATM 1453 C29 66S A2201 -20.688 -9.161 -0.360 1.00 2.58 C HETATM 1454 C30 66S A2201 -21.908 -8.320 -0.768 1.00 3.17 C HETATM 1455 C31 66S A2201 -20.833 -9.564 1.112 1.00 3.36 C HETATM 1456 C32 66S A2201 -20.629 -10.451 -1.250 1.00 3.14 C HETATM 1457 O33 66S A2201 -21.171 -10.173 -2.539 1.00 3.66 O HETATM 1458 C34 66S A2201 -19.204 -10.943 -1.443 1.00 3.77 C HETATM 1459 O35 66S A2201 -18.532 -10.639 -2.413 1.00 4.48 O HETATM 1460 N36 66S A2201 -18.731 -11.743 -0.476 1.00 3.99 N HETATM 1461 C37 66S A2201 -17.297 -11.924 -0.234 1.00 4.65 C HETATM 1462 C38 66S A2201 -16.720 -13.077 -1.076 1.00 5.05 C HETATM 1463 C39 66S A2201 -15.366 -12.700 -1.621 1.00 5.31 C HETATM 1464 O40 66S A2201 -15.193 -12.299 -2.759 1.00 6.12 O HETATM 1465 N41 66S A2201 -14.351 -12.835 -0.766 1.00 4.83 N HETATM 1466 C42 66S A2201 -13.147 -12.018 -0.849 1.00 4.77 C HETATM 1467 C43 66S A2201 -12.934 -11.211 0.427 1.00 4.00 C HETATM 1468 S1 66S A2201 -13.409 -12.150 1.907 1.00 3.68 S HETATM 1469 C1 66S A2201 -14.331 -10.930 2.762 1.00 3.22 C HETATM 1470 O1 66S A2201 -15.473 -10.651 2.458 1.00 3.95 O HETATM 1471 C2 66S A2201 -13.589 -10.261 3.889 1.00 2.52 C HETATM 1472 C3 66S A2201 -13.690 -8.739 3.753 1.00 2.11 C HETATM 1473 C4 66S A2201 -13.549 -8.063 5.122 1.00 1.89 C HETATM 1474 C5 66S A2201 -13.652 -6.539 4.968 1.00 1.41 C HETATM 1475 C6 66S A2201 -12.595 -5.846 5.828 1.00 1.16 C HETATM 1476 C7 66S A2201 -11.413 -5.408 4.961 1.00 1.33 C HETATM 1477 C8 66S A2201 -10.440 -4.584 5.789 1.00 1.42 C