USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 760 hydrogens (35 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2060 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Set 1.2: A2130 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Set 2.1: A2049 MET CE :methyl -164:sc= -4! (180deg=-4.03!) USER MOD Set 2.2: A2059 GLN :FLIP amide:sc= -1.37 F(o=-8!,f=-5.4) USER MOD Set 3.1: A2047 SER OG : rot 110:sc= -0.268 USER MOD Set 3.2: A2048 HIS :FLIP no HD1:sc= 0.0119 F(o=-0.81,f=-0.26) USER MOD Single : A2052 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A2055 SER OG : rot 180:sc= 0 USER MOD Single : A2057 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2058 GLN : amide:sc= 0.509 K(o=0.51,f=-4.4!) USER MOD Single : A2061 GLN : amide:sc= -0.526 K(o=-0.53,f=-3.8!) USER MOD Single : A2062 THR OG1 : rot -96:sc= 1.05 USER MOD Single : A2065 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A2071 THR OG1 : rot 180:sc= -1.88! USER MOD Single : A2073 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A2077 HIS : no HE2:sc= -1.04 K(o=-1,f=-4.3) USER MOD Single : A2078 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.43) USER MOD Single : A2079 THR OG1 : rot 180:sc= 0 USER MOD Single : A2082 SER OG : rot -17:sc= 0.39 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot -170:sc= -1.7! USER MOD Single : A2090 LYS NZ :NH3+ 167:sc=-0.00213 (180deg=-0.0746) USER MOD Single : A2098 THR OG1 : rot 180:sc= 0.41 USER MOD Single : A2104 ASN : amide:sc= -1.91! C(o=-1.9!,f=-1.7!) USER MOD Single : A2105 THR OG1 : rot 180:sc= 0 USER MOD Single : A2107 THR OG1 : rot 76:sc= -0.533! USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= -0.41 X(o=-0.41,f=-0.44) USER MOD Single : A2110 THR OG1 : rot -79:sc= 1.21 USER MOD Single : A2117 THR OG1 : rot 116:sc= 1.24 USER MOD Single : A2122 HIS : no HD1:sc=-0.00437 X(o=-0.0044,f=0) USER MOD Single : A2124 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A2129 THR OG1 : rot 69:sc= 0.409 USER MOD Single : A2131 HIS : no HD1:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A2133 HIS : no HE2:sc= -0.392 K(o=-0.39,f=-1.8!) USER MOD Single : A2134 THR OG1 : rot 72:sc= 0.643 USER MOD Single : A2137 THR OG1 : rot -83:sc= 0.872 USER MOD Single : A2138 GLN :FLIP amide:sc= -0.155 F(o=-1.1,f=-0.15) USER MOD Single : A2139 SER OG : rot -145:sc= 0.548 USER MOD Single : A2140 HIS : no HD1:sc= 0 X(o=0,f=-0.00042) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A2046 18.273 -4.973 0.416 1.00 6.58 N ATOM 2 CA GLY A2046 17.618 -3.739 -0.082 1.00 6.00 C ATOM 3 C GLY A2046 17.117 -3.894 -1.501 1.00 4.95 C ATOM 4 O GLY A2046 17.456 -4.864 -2.180 1.00 5.03 O ATOM 0 HA2 GLY A2046 16.783 -3.483 0.571 1.00 6.00 H new ATOM 0 HA3 GLY A2046 18.324 -2.910 -0.036 1.00 6.00 H new ATOM 10 N SER A2047 16.326 -2.935 -1.956 1.00 4.27 N ATOM 11 CA SER A2047 15.717 -3.012 -3.271 1.00 3.35 C ATOM 12 C SER A2047 16.268 -1.925 -4.186 1.00 3.13 C ATOM 13 O SER A2047 16.739 -0.885 -3.725 1.00 3.47 O ATOM 14 CB SER A2047 14.193 -2.885 -3.152 1.00 3.02 C ATOM 15 OG SER A2047 13.563 -3.023 -4.416 1.00 3.54 O ATOM 0 H SER A2047 16.091 -2.093 -1.431 1.00 4.27 H new ATOM 0 HA SER A2047 15.959 -3.981 -3.708 1.00 3.35 H new ATOM 0 HB2 SER A2047 13.815 -3.646 -2.470 1.00 3.02 H new ATOM 0 HB3 SER A2047 13.939 -1.917 -2.721 1.00 3.02 H new ATOM 0 HG SER A2047 13.075 -3.872 -4.447 1.00 3.54 H new ATOM 21 N HIS A2048 16.183 -2.180 -5.487 1.00 3.12 N ATOM 22 CA HIS A2048 16.632 -1.242 -6.523 1.00 3.29 C ATOM 23 C HIS A2048 15.708 -0.026 -6.621 1.00 2.68 C ATOM 24 O HIS A2048 15.637 0.619 -7.668 1.00 3.15 O ATOM 25 CB HIS A2048 16.705 -1.943 -7.890 1.00 4.29 C ATOM 26 CG HIS A2048 15.370 -2.365 -8.446 1.00 5.00 C ATOM 27 ND1 HIS A2048 14.330 -3.019 -7.871 1.00 5.92 N flip ATOM 28 CD2 HIS A2048 14.991 -2.125 -9.749 1.00 5.21 C flip ATOM 29 CE1 HIS A2048 13.359 -3.156 -8.829 1.00 6.67 C flip ATOM 30 NE2 HIS A2048 13.778 -2.610 -9.951 1.00 6.28 N flip ATOM 0 H HIS A2048 15.799 -3.048 -5.860 1.00 3.12 H new ATOM 0 HA HIS A2048 17.626 -0.896 -6.238 1.00 3.29 H new ATOM 0 HB2 HIS A2048 17.186 -1.273 -8.603 1.00 4.29 H new ATOM 0 HB3 HIS A2048 17.342 -2.823 -7.800 1.00 4.29 H new ATOM 0 HD2 HIS A2048 15.592 -1.619 -10.490 1.00 5.21 H new ATOM 0 HE1 HIS A2048 12.402 -3.636 -8.686 1.00 6.67 H new ATOM 0 HE2 HIS A2048 13.256 -2.568 -10.826 1.00 6.28 H new ATOM 39 N MET A2049 14.994 0.257 -5.539 1.00 2.16 N ATOM 40 CA MET A2049 13.938 1.258 -5.534 1.00 2.54 C ATOM 41 C MET A2049 14.363 2.579 -6.119 1.00 3.09 C ATOM 42 O MET A2049 13.737 3.052 -7.069 1.00 3.75 O ATOM 43 CB MET A2049 13.370 1.433 -4.140 1.00 2.76 C ATOM 44 CG MET A2049 12.325 0.375 -3.822 1.00 2.18 C ATOM 45 SD MET A2049 10.906 0.501 -4.932 1.00 2.91 S ATOM 46 CE MET A2049 9.831 -0.768 -4.283 1.00 2.37 C ATOM 0 H MET A2049 15.132 -0.203 -4.639 1.00 2.16 H new ATOM 0 HA MET A2049 13.153 0.880 -6.189 1.00 2.54 H new ATOM 0 HB2 MET A2049 14.177 1.379 -3.409 1.00 2.76 H new ATOM 0 HB3 MET A2049 12.924 2.424 -4.050 1.00 2.76 H new ATOM 0 HG2 MET A2049 12.770 -0.616 -3.908 1.00 2.18 H new ATOM 0 HG3 MET A2049 11.993 0.487 -2.790 1.00 2.18 H new ATOM 0 HE1 MET A2049 9.060 -1.003 -5.017 1.00 2.37 H new ATOM 0 HE2 MET A2049 10.414 -1.664 -4.070 1.00 2.37 H new ATOM 0 HE3 MET A2049 9.362 -0.413 -3.365 1.00 2.37 H new ATOM 56 N ARG A2050 15.405 3.194 -5.596 1.00 3.38 N ATOM 57 CA ARG A2050 15.864 4.392 -6.265 1.00 4.33 C ATOM 58 C ARG A2050 16.882 3.998 -7.318 1.00 4.19 C ATOM 59 O ARG A2050 16.602 4.107 -8.510 1.00 4.88 O ATOM 60 CB ARG A2050 16.499 5.383 -5.290 1.00 5.36 C ATOM 61 CG ARG A2050 15.528 6.003 -4.298 1.00 6.15 C ATOM 62 CD ARG A2050 14.416 6.761 -5.002 1.00 6.73 C ATOM 63 NE ARG A2050 13.676 7.628 -4.085 1.00 7.76 N ATOM 64 CZ ARG A2050 12.378 7.493 -3.795 1.00 8.52 C ATOM 65 NH1 ARG A2050 11.675 6.489 -4.305 1.00 8.48 N ATOM 66 NH2 ARG A2050 11.787 8.365 -2.988 1.00 9.54 N ATOM 0 H ARG A2050 15.921 2.908 -4.764 1.00 3.38 H new ATOM 0 HA ARG A2050 15.004 4.883 -6.719 1.00 4.33 H new ATOM 0 HB2 ARG A2050 17.288 4.874 -4.737 1.00 5.36 H new ATOM 0 HB3 ARG A2050 16.974 6.181 -5.861 1.00 5.36 H new ATOM 0 HG2 ARG A2050 15.097 5.221 -3.673 1.00 6.15 H new ATOM 0 HG3 ARG A2050 16.067 6.680 -3.635 1.00 6.15 H new ATOM 0 HD2 ARG A2050 14.840 7.362 -5.806 1.00 6.73 H new ATOM 0 HD3 ARG A2050 13.729 6.051 -5.463 1.00 6.73 H new ATOM 0 HE ARG A2050 14.186 8.389 -3.636 1.00 7.76 H new ATOM 0 HH11 ARG A2050 12.125 5.814 -4.923 1.00 8.48 H new ATOM 0 HH12 ARG A2050 10.685 6.393 -4.079 1.00 8.48 H new ATOM 0 HH21 ARG A2050 12.323 9.136 -2.590 1.00 9.54 H new ATOM 0 HH22 ARG A2050 10.797 8.264 -2.765 1.00 9.54 H new ATOM 80 N LEU A2051 18.060 3.545 -6.887 1.00 3.64 N ATOM 81 CA LEU A2051 18.790 2.494 -7.574 1.00 3.84 C ATOM 82 C LEU A2051 19.387 1.538 -6.549 1.00 3.17 C ATOM 83 O LEU A2051 19.045 0.360 -6.475 1.00 3.42 O ATOM 84 CB LEU A2051 19.899 3.082 -8.447 1.00 4.74 C ATOM 85 CG LEU A2051 19.420 3.883 -9.653 1.00 5.66 C ATOM 86 CD1 LEU A2051 20.596 4.512 -10.371 1.00 6.21 C ATOM 87 CD2 LEU A2051 18.627 2.991 -10.594 1.00 6.31 C ATOM 0 H LEU A2051 18.529 3.899 -6.053 1.00 3.64 H new ATOM 0 HA LEU A2051 18.099 1.953 -8.221 1.00 3.84 H new ATOM 0 HB2 LEU A2051 20.524 3.726 -7.828 1.00 4.74 H new ATOM 0 HB3 LEU A2051 20.532 2.268 -8.800 1.00 4.74 H new ATOM 0 HG LEU A2051 18.767 4.683 -9.306 1.00 5.66 H new ATOM 0 HD11 LEU A2051 20.237 5.080 -11.229 1.00 6.21 H new ATOM 0 HD12 LEU A2051 21.124 5.179 -9.689 1.00 6.21 H new ATOM 0 HD13 LEU A2051 21.275 3.730 -10.712 1.00 6.21 H new ATOM 0 HD21 LEU A2051 18.290 3.574 -11.451 1.00 6.31 H new ATOM 0 HD22 LEU A2051 19.259 2.172 -10.938 1.00 6.31 H new ATOM 0 HD23 LEU A2051 17.762 2.586 -10.069 1.00 6.31 H new ATOM 99 N ASN A2052 20.307 2.099 -5.764 1.00 2.84 N ATOM 100 CA ASN A2052 20.915 1.436 -4.615 1.00 3.03 C ATOM 101 C ASN A2052 20.357 1.952 -3.295 1.00 2.88 C ATOM 102 O ASN A2052 19.921 3.102 -3.232 1.00 2.92 O ATOM 103 CB ASN A2052 22.439 1.605 -4.622 1.00 3.65 C ATOM 104 CG ASN A2052 23.130 0.748 -5.668 1.00 4.17 C ATOM 105 OD1 ASN A2052 22.573 0.455 -6.726 1.00 4.47 O ATOM 106 ND2 ASN A2052 24.353 0.330 -5.378 1.00 4.71 N ATOM 0 H ASN A2052 20.656 3.046 -5.914 1.00 2.84 H new ATOM 0 HA ASN A2052 20.668 0.378 -4.702 1.00 3.03 H new ATOM 0 HB2 ASN A2052 22.681 2.652 -4.802 1.00 3.65 H new ATOM 0 HB3 ASN A2052 22.831 1.352 -3.637 1.00 3.65 H new ATOM 0 HD21 ASN A2052 24.863 -0.254 -6.041 1.00 4.71 H new ATOM 0 HD22 ASN A2052 24.785 0.592 -4.492 1.00 4.71 H new ATOM 113 N GLY A2053 20.361 1.101 -2.267 1.00 3.23 N ATOM 114 CA GLY A2053 20.305 1.563 -0.877 1.00 3.43 C ATOM 115 C GLY A2053 19.372 2.736 -0.613 1.00 2.89 C ATOM 116 O GLY A2053 19.835 3.824 -0.254 1.00 2.97 O ATOM 0 H GLY A2053 20.402 0.087 -2.370 1.00 3.23 H new ATOM 0 HA2 GLY A2053 19.998 0.728 -0.247 1.00 3.43 H new ATOM 0 HA3 GLY A2053 21.311 1.844 -0.565 1.00 3.43 H new ATOM 120 N LEU A2054 18.080 2.547 -0.836 1.00 2.44 N ATOM 121 CA LEU A2054 17.098 3.590 -0.579 1.00 2.06 C ATOM 122 C LEU A2054 17.244 4.135 0.859 1.00 1.93 C ATOM 123 O LEU A2054 17.633 3.417 1.783 1.00 2.10 O ATOM 124 CB LEU A2054 15.686 3.047 -0.905 1.00 1.96 C ATOM 125 CG LEU A2054 14.853 2.462 0.226 1.00 2.68 C ATOM 126 CD1 LEU A2054 15.619 1.439 1.038 1.00 3.19 C ATOM 127 CD2 LEU A2054 14.321 3.578 1.092 1.00 3.31 C ATOM 0 H LEU A2054 17.686 1.678 -1.196 1.00 2.44 H new ATOM 0 HA LEU A2054 17.270 4.447 -1.231 1.00 2.06 H new ATOM 0 HB2 LEU A2054 15.114 3.860 -1.352 1.00 1.96 H new ATOM 0 HB3 LEU A2054 15.795 2.277 -1.669 1.00 1.96 H new ATOM 0 HG LEU A2054 14.013 1.925 -0.214 1.00 2.68 H new ATOM 0 HD11 LEU A2054 14.980 1.052 1.832 1.00 3.19 H new ATOM 0 HD12 LEU A2054 15.930 0.619 0.390 1.00 3.19 H new ATOM 0 HD13 LEU A2054 16.499 1.908 1.477 1.00 3.19 H new ATOM 0 HD21 LEU A2054 13.725 3.158 1.902 1.00 3.31 H new ATOM 0 HD22 LEU A2054 15.154 4.143 1.510 1.00 3.31 H new ATOM 0 HD23 LEU A2054 13.700 4.241 0.490 1.00 3.31 H new ATOM 139 N SER A2055 16.963 5.416 1.029 1.00 1.75 N ATOM 140 CA SER A2055 17.026 6.047 2.342 1.00 1.71 C ATOM 141 C SER A2055 15.648 5.986 2.994 1.00 1.44 C ATOM 142 O SER A2055 14.650 6.192 2.315 1.00 1.25 O ATOM 143 CB SER A2055 17.492 7.496 2.203 1.00 1.78 C ATOM 144 OG SER A2055 18.654 7.579 1.396 1.00 2.08 O ATOM 0 H SER A2055 16.688 6.043 0.273 1.00 1.75 H new ATOM 0 HA SER A2055 17.741 5.517 2.971 1.00 1.71 H new ATOM 0 HB2 SER A2055 16.696 8.098 1.764 1.00 1.78 H new ATOM 0 HB3 SER A2055 17.699 7.912 3.189 1.00 1.78 H new ATOM 0 HG SER A2055 18.933 8.515 1.320 1.00 2.08 H new ATOM 150 N PRO A2056 15.581 5.706 4.307 1.00 1.48 N ATOM 151 CA PRO A2056 14.325 5.432 5.025 1.00 1.29 C ATOM 152 C PRO A2056 13.128 6.284 4.590 1.00 1.09 C ATOM 153 O PRO A2056 12.063 5.741 4.281 1.00 0.87 O ATOM 154 CB PRO A2056 14.701 5.728 6.471 1.00 1.53 C ATOM 155 CG PRO A2056 16.136 5.337 6.562 1.00 1.78 C ATOM 156 CD PRO A2056 16.744 5.627 5.213 1.00 1.78 C ATOM 0 HA PRO A2056 13.979 4.416 4.832 1.00 1.29 H new ATOM 0 HB2 PRO A2056 14.559 6.782 6.712 1.00 1.53 H new ATOM 0 HB3 PRO A2056 14.087 5.156 7.167 1.00 1.53 H new ATOM 0 HG2 PRO A2056 16.643 5.900 7.345 1.00 1.78 H new ATOM 0 HG3 PRO A2056 16.235 4.281 6.814 1.00 1.78 H new ATOM 0 HD2 PRO A2056 17.308 6.560 5.221 1.00 1.78 H new ATOM 0 HD3 PRO A2056 17.434 4.840 4.909 1.00 1.78 H new ATOM 164 N GLN A2057 13.301 7.596 4.541 1.00 1.22 N ATOM 165 CA GLN A2057 12.193 8.487 4.224 1.00 1.17 C ATOM 166 C GLN A2057 11.799 8.412 2.747 1.00 1.01 C ATOM 167 O GLN A2057 10.649 8.675 2.410 1.00 0.95 O ATOM 168 CB GLN A2057 12.522 9.922 4.623 1.00 1.44 C ATOM 169 CG GLN A2057 12.699 10.103 6.122 1.00 1.66 C ATOM 170 CD GLN A2057 12.978 11.538 6.513 1.00 2.02 C ATOM 171 OE1 GLN A2057 12.057 12.319 6.758 1.00 2.32 O ATOM 172 NE2 GLN A2057 14.248 11.898 6.584 1.00 2.40 N ATOM 0 H GLN A2057 14.190 8.065 4.715 1.00 1.22 H new ATOM 0 HA GLN A2057 11.334 8.152 4.805 1.00 1.17 H new ATOM 0 HB2 GLN A2057 13.436 10.232 4.116 1.00 1.44 H new ATOM 0 HB3 GLN A2057 11.725 10.580 4.276 1.00 1.44 H new ATOM 0 HG2 GLN A2057 11.799 9.761 6.633 1.00 1.66 H new ATOM 0 HG3 GLN A2057 13.519 9.472 6.465 1.00 1.66 H new ATOM 0 HE21 GLN A2057 14.982 11.222 6.374 1.00 2.40 H new ATOM 0 HE22 GLN A2057 14.494 12.852 6.849 1.00 2.40 H new ATOM 181 N GLN A2058 12.739 8.023 1.884 1.00 1.07 N ATOM 182 CA GLN A2058 12.478 7.906 0.444 1.00 1.08 C ATOM 183 C GLN A2058 11.276 7.019 0.164 1.00 0.89 C ATOM 184 O GLN A2058 10.323 7.426 -0.501 1.00 0.84 O ATOM 185 CB GLN A2058 13.685 7.310 -0.284 1.00 1.36 C ATOM 186 CG GLN A2058 14.884 8.231 -0.368 1.00 1.58 C ATOM 187 CD GLN A2058 14.574 9.523 -1.095 1.00 1.86 C ATOM 188 OE1 GLN A2058 14.684 9.603 -2.318 1.00 2.40 O ATOM 189 NE2 GLN A2058 14.195 10.542 -0.346 1.00 2.23 N ATOM 0 H GLN A2058 13.692 7.782 2.156 1.00 1.07 H new ATOM 0 HA GLN A2058 12.280 8.915 0.082 1.00 1.08 H new ATOM 0 HB2 GLN A2058 13.982 6.392 0.223 1.00 1.36 H new ATOM 0 HB3 GLN A2058 13.384 7.033 -1.294 1.00 1.36 H new ATOM 0 HG2 GLN A2058 15.234 8.459 0.639 1.00 1.58 H new ATOM 0 HG3 GLN A2058 15.698 7.717 -0.879 1.00 1.58 H new ATOM 0 HE21 GLN A2058 14.117 10.431 0.665 1.00 2.23 H new ATOM 0 HE22 GLN A2058 13.980 11.440 -0.778 1.00 2.23 H new ATOM 198 N GLN A2059 11.332 5.798 0.668 1.00 0.87 N ATOM 199 CA GLN A2059 10.286 4.831 0.411 1.00 0.75 C ATOM 200 C GLN A2059 8.987 5.222 1.097 1.00 0.58 C ATOM 201 O GLN A2059 7.915 5.016 0.547 1.00 0.54 O ATOM 202 CB GLN A2059 10.744 3.444 0.830 1.00 0.80 C ATOM 203 CG GLN A2059 11.541 2.741 -0.255 1.00 1.17 C ATOM 204 CD GLN A2059 10.667 2.007 -1.233 1.00 1.86 C ATOM 205 OE1 GLN A2059 10.385 0.754 -0.933 1.00 2.83 O flip ATOM 206 NE2 GLN A2059 10.248 2.557 -2.248 1.00 1.87 N flip ATOM 0 H GLN A2059 12.091 5.456 1.257 1.00 0.87 H new ATOM 0 HA GLN A2059 10.085 4.816 -0.660 1.00 0.75 H new ATOM 0 HB2 GLN A2059 11.353 3.523 1.730 1.00 0.80 H new ATOM 0 HB3 GLN A2059 9.874 2.840 1.086 1.00 0.80 H new ATOM 0 HG2 GLN A2059 12.143 3.475 -0.791 1.00 1.17 H new ATOM 0 HG3 GLN A2059 12.233 2.037 0.207 1.00 1.17 H new ATOM 0 HE21 GLN A2059 10.492 3.529 -2.439 1.00 1.87 H new ATOM 0 HE22 GLN A2059 9.656 2.042 -2.900 1.00 1.87 H new ATOM 215 N GLN A2060 9.075 5.801 2.287 1.00 0.54 N ATOM 216 CA GLN A2060 7.892 6.294 2.973 1.00 0.45 C ATOM 217 C GLN A2060 7.162 7.359 2.155 1.00 0.44 C ATOM 218 O GLN A2060 6.003 7.646 2.415 1.00 0.42 O ATOM 219 CB GLN A2060 8.265 6.841 4.344 1.00 0.55 C ATOM 220 CG GLN A2060 8.752 5.763 5.286 1.00 0.57 C ATOM 221 CD GLN A2060 9.051 6.289 6.678 1.00 0.81 C ATOM 222 OE1 GLN A2060 9.459 7.439 6.847 1.00 1.38 O ATOM 223 NE2 GLN A2060 8.839 5.458 7.687 1.00 1.01 N ATOM 0 H GLN A2060 9.949 5.940 2.794 1.00 0.54 H new ATOM 0 HA GLN A2060 7.210 5.453 3.098 1.00 0.45 H new ATOM 0 HB2 GLN A2060 9.042 7.597 4.231 1.00 0.55 H new ATOM 0 HB3 GLN A2060 7.399 7.337 4.782 1.00 0.55 H new ATOM 0 HG2 GLN A2060 7.999 4.978 5.353 1.00 0.57 H new ATOM 0 HG3 GLN A2060 9.652 5.306 4.874 1.00 0.57 H new ATOM 0 HE21 GLN A2060 8.501 4.513 7.507 1.00 1.01 H new ATOM 0 HE22 GLN A2060 9.014 5.763 8.644 1.00 1.01 H new ATOM 232 N GLN A2061 7.840 7.955 1.181 1.00 0.58 N ATOM 233 CA GLN A2061 7.179 8.870 0.254 1.00 0.61 C ATOM 234 C GLN A2061 6.484 8.068 -0.825 1.00 0.51 C ATOM 235 O GLN A2061 5.266 8.138 -0.994 1.00 0.45 O ATOM 236 CB GLN A2061 8.189 9.798 -0.419 1.00 0.83 C ATOM 237 CG GLN A2061 9.185 10.408 0.523 1.00 0.89 C ATOM 238 CD GLN A2061 10.176 11.305 -0.181 1.00 1.29 C ATOM 239 OE1 GLN A2061 11.215 10.850 -0.662 1.00 1.75 O ATOM 240 NE2 GLN A2061 9.871 12.585 -0.230 1.00 1.97 N ATOM 0 H GLN A2061 8.837 7.824 1.012 1.00 0.58 H new ATOM 0 HA GLN A2061 6.465 9.469 0.820 1.00 0.61 H new ATOM 0 HB2 GLN A2061 8.726 9.238 -1.185 1.00 0.83 H new ATOM 0 HB3 GLN A2061 7.649 10.597 -0.927 1.00 0.83 H new ATOM 0 HG2 GLN A2061 8.656 10.983 1.283 1.00 0.89 H new ATOM 0 HG3 GLN A2061 9.723 9.614 1.041 1.00 0.89 H new ATOM 0 HE21 GLN A2061 8.999 12.918 0.182 1.00 1.97 H new ATOM 0 HE22 GLN A2061 10.507 13.244 -0.680 1.00 1.97 H new ATOM 249 N THR A2062 7.296 7.309 -1.545 1.00 0.53 N ATOM 250 CA THR A2062 6.828 6.437 -2.617 1.00 0.50 C ATOM 251 C THR A2062 5.628 5.608 -2.179 1.00 0.39 C ATOM 252 O THR A2062 4.560 5.678 -2.782 1.00 0.42 O ATOM 253 CB THR A2062 7.960 5.500 -3.090 1.00 0.59 C ATOM 254 OG1 THR A2062 9.053 6.280 -3.588 1.00 0.74 O ATOM 255 CG2 THR A2062 7.478 4.544 -4.173 1.00 0.83 C ATOM 0 H THR A2062 8.306 7.279 -1.403 1.00 0.53 H new ATOM 0 HA THR A2062 6.521 7.077 -3.444 1.00 0.50 H new ATOM 0 HB THR A2062 8.285 4.906 -2.236 1.00 0.59 H new ATOM 0 HG1 THR A2062 8.984 6.355 -4.563 1.00 0.74 H new ATOM 0 HG21 THR A2062 8.301 3.900 -4.482 1.00 0.83 H new ATOM 0 HG22 THR A2062 6.665 3.932 -3.783 1.00 0.83 H new ATOM 0 HG23 THR A2062 7.123 5.115 -5.031 1.00 0.83 H new ATOM 263 N LEU A2063 5.818 4.845 -1.121 1.00 0.37 N ATOM 264 CA LEU A2063 4.801 3.974 -0.574 1.00 0.29 C ATOM 265 C LEU A2063 3.563 4.751 -0.143 1.00 0.22 C ATOM 266 O LEU A2063 2.447 4.367 -0.482 1.00 0.21 O ATOM 267 CB LEU A2063 5.406 3.217 0.604 1.00 0.30 C ATOM 268 CG LEU A2063 6.372 2.079 0.240 1.00 0.53 C ATOM 269 CD1 LEU A2063 7.301 2.449 -0.908 1.00 0.92 C ATOM 270 CD2 LEU A2063 7.191 1.684 1.460 1.00 0.79 C ATOM 0 H LEU A2063 6.700 4.814 -0.609 1.00 0.37 H new ATOM 0 HA LEU A2063 4.474 3.274 -1.343 1.00 0.29 H new ATOM 0 HB2 LEU A2063 5.935 3.930 1.237 1.00 0.30 H new ATOM 0 HB3 LEU A2063 4.594 2.802 1.201 1.00 0.30 H new ATOM 0 HG LEU A2063 5.767 1.235 -0.092 1.00 0.53 H new ATOM 0 HD11 LEU A2063 7.963 1.611 -1.125 1.00 0.92 H new ATOM 0 HD12 LEU A2063 6.710 2.684 -1.793 1.00 0.92 H new ATOM 0 HD13 LEU A2063 7.896 3.318 -0.629 1.00 0.92 H new ATOM 0 HD21 LEU A2063 7.873 0.877 1.194 1.00 0.79 H new ATOM 0 HD22 LEU A2063 7.764 2.544 1.808 1.00 0.79 H new ATOM 0 HD23 LEU A2063 6.523 1.348 2.253 1.00 0.79 H new ATOM 282 N ALA A2064 3.765 5.852 0.580 1.00 0.25 N ATOM 283 CA ALA A2064 2.657 6.691 1.037 1.00 0.27 C ATOM 284 C ALA A2064 1.842 7.220 -0.137 1.00 0.25 C ATOM 285 O ALA A2064 0.628 7.403 -0.032 1.00 0.30 O ATOM 286 CB ALA A2064 3.172 7.852 1.870 1.00 0.37 C ATOM 0 H ALA A2064 4.687 6.184 0.862 1.00 0.25 H new ATOM 0 HA ALA A2064 2.008 6.069 1.654 1.00 0.27 H new ATOM 0 HB1 ALA A2064 2.332 8.464 2.200 1.00 0.37 H new ATOM 0 HB2 ALA A2064 3.705 7.468 2.740 1.00 0.37 H new ATOM 0 HB3 ALA A2064 3.849 8.459 1.269 1.00 0.37 H new ATOM 292 N THR A2065 2.512 7.460 -1.254 1.00 0.24 N ATOM 293 CA THR A2065 1.848 7.963 -2.441 1.00 0.27 C ATOM 294 C THR A2065 1.217 6.802 -3.196 1.00 0.24 C ATOM 295 O THR A2065 0.118 6.912 -3.731 1.00 0.29 O ATOM 296 CB THR A2065 2.833 8.703 -3.364 1.00 0.35 C ATOM 297 OG1 THR A2065 3.674 9.571 -2.589 1.00 0.40 O ATOM 298 CG2 THR A2065 2.086 9.520 -4.409 1.00 0.42 C ATOM 0 H THR A2065 3.516 7.314 -1.361 1.00 0.24 H new ATOM 0 HA THR A2065 1.080 8.671 -2.129 1.00 0.27 H new ATOM 0 HB THR A2065 3.446 7.960 -3.874 1.00 0.35 H new ATOM 0 HG1 THR A2065 4.386 9.046 -2.167 1.00 0.40 H new ATOM 0 HG21 THR A2065 2.803 10.034 -5.050 1.00 0.42 H new ATOM 0 HG22 THR A2065 1.468 8.858 -5.015 1.00 0.42 H new ATOM 0 HG23 THR A2065 1.452 10.254 -3.912 1.00 0.42 H new ATOM 306 N LEU A2066 1.925 5.681 -3.196 1.00 0.21 N ATOM 307 CA LEU A2066 1.470 4.460 -3.839 1.00 0.21 C ATOM 308 C LEU A2066 0.159 3.991 -3.248 1.00 0.18 C ATOM 309 O LEU A2066 -0.848 3.947 -3.935 1.00 0.20 O ATOM 310 CB LEU A2066 2.522 3.364 -3.677 1.00 0.24 C ATOM 311 CG LEU A2066 2.053 1.940 -3.990 1.00 0.30 C ATOM 312 CD1 LEU A2066 1.461 1.855 -5.390 1.00 0.37 C ATOM 313 CD2 LEU A2066 3.210 0.963 -3.838 1.00 0.36 C ATOM 0 H LEU A2066 2.837 5.595 -2.747 1.00 0.21 H new ATOM 0 HA LEU A2066 1.318 4.671 -4.898 1.00 0.21 H new ATOM 0 HB2 LEU A2066 3.367 3.599 -4.324 1.00 0.24 H new ATOM 0 HB3 LEU A2066 2.890 3.388 -2.651 1.00 0.24 H new ATOM 0 HG LEU A2066 1.271 1.672 -3.280 1.00 0.30 H new ATOM 0 HD11 LEU A2066 1.136 0.833 -5.586 1.00 0.37 H new ATOM 0 HD12 LEU A2066 0.607 2.528 -5.465 1.00 0.37 H new ATOM 0 HD13 LEU A2066 2.215 2.143 -6.122 1.00 0.37 H new ATOM 0 HD21 LEU A2066 2.866 -0.046 -4.063 1.00 0.36 H new ATOM 0 HD22 LEU A2066 4.009 1.236 -4.527 1.00 0.36 H new ATOM 0 HD23 LEU A2066 3.585 0.999 -2.815 1.00 0.36 H new ATOM 325 N VAL A2067 0.190 3.644 -1.972 1.00 0.17 N ATOM 326 CA VAL A2067 -0.984 3.119 -1.284 1.00 0.18 C ATOM 327 C VAL A2067 -2.201 4.022 -1.493 1.00 0.19 C ATOM 328 O VAL A2067 -3.313 3.544 -1.733 1.00 0.22 O ATOM 329 CB VAL A2067 -0.705 2.929 0.222 1.00 0.21 C ATOM 330 CG1 VAL A2067 -0.248 4.225 0.875 1.00 0.51 C ATOM 331 CG2 VAL A2067 -1.936 2.398 0.920 1.00 0.64 C ATOM 0 H VAL A2067 1.021 3.716 -1.385 1.00 0.17 H new ATOM 0 HA VAL A2067 -1.208 2.144 -1.717 1.00 0.18 H new ATOM 0 HB VAL A2067 0.103 2.204 0.321 1.00 0.21 H new ATOM 0 HG11 VAL A2067 -0.061 4.052 1.935 1.00 0.51 H new ATOM 0 HG12 VAL A2067 0.669 4.570 0.397 1.00 0.51 H new ATOM 0 HG13 VAL A2067 -1.024 4.983 0.762 1.00 0.51 H new ATOM 0 HG21 VAL A2067 -1.725 2.269 1.982 1.00 0.64 H new ATOM 0 HG22 VAL A2067 -2.757 3.104 0.797 1.00 0.64 H new ATOM 0 HG23 VAL A2067 -2.215 1.438 0.486 1.00 0.64 H new ATOM 341 N ALA A2068 -1.970 5.323 -1.429 1.00 0.19 N ATOM 342 CA ALA A2068 -3.007 6.305 -1.682 1.00 0.23 C ATOM 343 C ALA A2068 -3.476 6.248 -3.138 1.00 0.23 C ATOM 344 O ALA A2068 -4.649 6.006 -3.410 1.00 0.29 O ATOM 345 CB ALA A2068 -2.497 7.694 -1.340 1.00 0.27 C ATOM 0 H ALA A2068 -1.061 5.725 -1.201 1.00 0.19 H new ATOM 0 HA ALA A2068 -3.863 6.075 -1.048 1.00 0.23 H new ATOM 0 HB1 ALA A2068 -3.281 8.427 -1.532 1.00 0.27 H new ATOM 0 HB2 ALA A2068 -2.217 7.730 -0.287 1.00 0.27 H new ATOM 0 HB3 ALA A2068 -1.627 7.924 -1.955 1.00 0.27 H new ATOM 351 N ALA A2069 -2.554 6.437 -4.073 1.00 0.20 N ATOM 352 CA ALA A2069 -2.897 6.470 -5.491 1.00 0.22 C ATOM 353 C ALA A2069 -3.458 5.129 -5.958 1.00 0.23 C ATOM 354 O ALA A2069 -4.266 5.074 -6.886 1.00 0.29 O ATOM 355 CB ALA A2069 -1.680 6.858 -6.311 1.00 0.25 C ATOM 0 H ALA A2069 -1.562 6.570 -3.876 1.00 0.20 H new ATOM 0 HA ALA A2069 -3.675 7.220 -5.637 1.00 0.22 H new ATOM 0 HB1 ALA A2069 -1.945 6.880 -7.368 1.00 0.25 H new ATOM 0 HB2 ALA A2069 -1.333 7.845 -6.003 1.00 0.25 H new ATOM 0 HB3 ALA A2069 -0.886 6.128 -6.151 1.00 0.25 H new ATOM 361 N ALA A2070 -3.038 4.060 -5.298 1.00 0.21 N ATOM 362 CA ALA A2070 -3.495 2.723 -5.625 1.00 0.24 C ATOM 363 C ALA A2070 -4.973 2.578 -5.316 1.00 0.26 C ATOM 364 O ALA A2070 -5.757 2.213 -6.185 1.00 0.34 O ATOM 365 CB ALA A2070 -2.693 1.684 -4.860 1.00 0.25 C ATOM 0 H ALA A2070 -2.374 4.097 -4.525 1.00 0.21 H new ATOM 0 HA ALA A2070 -3.345 2.560 -6.692 1.00 0.24 H new ATOM 0 HB1 ALA A2070 -3.050 0.687 -5.118 1.00 0.25 H new ATOM 0 HB2 ALA A2070 -1.639 1.772 -5.123 1.00 0.25 H new ATOM 0 HB3 ALA A2070 -2.814 1.847 -3.789 1.00 0.25 H new ATOM 371 N THR A2071 -5.356 2.917 -4.090 1.00 0.24 N ATOM 372 CA THR A2071 -6.729 2.732 -3.647 1.00 0.28 C ATOM 373 C THR A2071 -7.635 3.736 -4.337 1.00 0.31 C ATOM 374 O THR A2071 -8.813 3.485 -4.586 1.00 0.37 O ATOM 375 CB THR A2071 -6.834 2.858 -2.113 1.00 0.30 C ATOM 376 OG1 THR A2071 -8.132 2.462 -1.665 1.00 0.38 O ATOM 377 CG2 THR A2071 -6.559 4.276 -1.648 1.00 0.29 C ATOM 0 H THR A2071 -4.735 3.320 -3.388 1.00 0.24 H new ATOM 0 HA THR A2071 -7.051 1.727 -3.919 1.00 0.28 H new ATOM 0 HB THR A2071 -6.079 2.199 -1.684 1.00 0.30 H new ATOM 0 HG1 THR A2071 -8.181 2.546 -0.690 1.00 0.38 H new ATOM 0 HG21 THR A2071 -6.642 4.325 -0.562 1.00 0.29 H new ATOM 0 HG22 THR A2071 -5.553 4.569 -1.949 1.00 0.29 H new ATOM 0 HG23 THR A2071 -7.284 4.954 -2.099 1.00 0.29 H new ATOM 385 N ALA A2072 -7.044 4.862 -4.678 1.00 0.31 N ATOM 386 CA ALA A2072 -7.712 5.890 -5.449 1.00 0.40 C ATOM 387 C ALA A2072 -7.971 5.411 -6.876 1.00 0.42 C ATOM 388 O ALA A2072 -8.778 5.986 -7.601 1.00 0.54 O ATOM 389 CB ALA A2072 -6.862 7.145 -5.420 1.00 0.47 C ATOM 0 H ALA A2072 -6.082 5.091 -4.427 1.00 0.31 H new ATOM 0 HA ALA A2072 -8.685 6.113 -5.012 1.00 0.40 H new ATOM 0 HB1 ALA A2072 -7.352 7.930 -5.997 1.00 0.47 H new ATOM 0 HB2 ALA A2072 -6.738 7.476 -4.389 1.00 0.47 H new ATOM 0 HB3 ALA A2072 -5.885 6.933 -5.853 1.00 0.47 H new ATOM 395 N THR A2073 -7.280 4.362 -7.277 1.00 0.36 N ATOM 396 CA THR A2073 -7.523 3.743 -8.569 1.00 0.40 C ATOM 397 C THR A2073 -8.571 2.627 -8.461 1.00 0.29 C ATOM 398 O THR A2073 -9.381 2.432 -9.371 1.00 0.34 O ATOM 399 CB THR A2073 -6.218 3.179 -9.165 1.00 0.49 C ATOM 400 OG1 THR A2073 -5.223 4.211 -9.215 1.00 0.60 O ATOM 401 CG2 THR A2073 -6.446 2.636 -10.568 1.00 0.58 C ATOM 0 H THR A2073 -6.544 3.919 -6.727 1.00 0.36 H new ATOM 0 HA THR A2073 -7.907 4.517 -9.234 1.00 0.40 H new ATOM 0 HB THR A2073 -5.879 2.363 -8.526 1.00 0.49 H new ATOM 0 HG1 THR A2073 -4.791 4.291 -8.339 1.00 0.60 H new ATOM 0 HG21 THR A2073 -5.509 2.245 -10.964 1.00 0.58 H new ATOM 0 HG22 THR A2073 -7.187 1.837 -10.533 1.00 0.58 H new ATOM 0 HG23 THR A2073 -6.806 3.437 -11.214 1.00 0.58 H new ATOM 409 N VAL A2074 -8.560 1.910 -7.340 1.00 0.20 N ATOM 410 CA VAL A2074 -9.474 0.782 -7.145 1.00 0.22 C ATOM 411 C VAL A2074 -10.881 1.290 -6.845 1.00 0.27 C ATOM 412 O VAL A2074 -11.880 0.713 -7.278 1.00 0.41 O ATOM 413 CB VAL A2074 -8.995 -0.171 -6.008 1.00 0.27 C ATOM 414 CG1 VAL A2074 -7.491 -0.181 -5.936 1.00 0.78 C ATOM 415 CG2 VAL A2074 -9.561 0.195 -4.648 1.00 0.72 C ATOM 0 H VAL A2074 -7.933 2.087 -6.555 1.00 0.20 H new ATOM 0 HA VAL A2074 -9.485 0.208 -8.071 1.00 0.22 H new ATOM 0 HB VAL A2074 -9.369 -1.163 -6.260 1.00 0.27 H new ATOM 0 HG11 VAL A2074 -7.169 -0.850 -5.138 1.00 0.78 H new ATOM 0 HG12 VAL A2074 -7.084 -0.527 -6.886 1.00 0.78 H new ATOM 0 HG13 VAL A2074 -7.130 0.827 -5.732 1.00 0.78 H new ATOM 0 HG21 VAL A2074 -9.191 -0.505 -3.899 1.00 0.72 H new ATOM 0 HG22 VAL A2074 -9.250 1.206 -4.385 1.00 0.72 H new ATOM 0 HG23 VAL A2074 -10.649 0.148 -4.682 1.00 0.72 H new ATOM 425 N LEU A2075 -10.939 2.377 -6.096 1.00 0.27 N ATOM 426 CA LEU A2075 -12.204 3.006 -5.744 1.00 0.37 C ATOM 427 C LEU A2075 -12.650 3.997 -6.811 1.00 0.42 C ATOM 428 O LEU A2075 -11.938 4.244 -7.786 1.00 1.24 O ATOM 429 CB LEU A2075 -12.076 3.705 -4.391 1.00 0.44 C ATOM 430 CG LEU A2075 -11.747 2.771 -3.229 1.00 0.51 C ATOM 431 CD1 LEU A2075 -11.763 3.518 -1.908 1.00 0.89 C ATOM 432 CD2 LEU A2075 -12.722 1.609 -3.206 1.00 1.04 C ATOM 0 H LEU A2075 -10.118 2.848 -5.716 1.00 0.27 H new ATOM 0 HA LEU A2075 -12.964 2.227 -5.678 1.00 0.37 H new ATOM 0 HB2 LEU A2075 -11.299 4.466 -4.461 1.00 0.44 H new ATOM 0 HB3 LEU A2075 -13.010 4.222 -4.173 1.00 0.44 H new ATOM 0 HG LEU A2075 -10.740 2.379 -3.373 1.00 0.51 H new ATOM 0 HD11 LEU A2075 -11.525 2.829 -1.097 1.00 0.89 H new ATOM 0 HD12 LEU A2075 -11.023 4.318 -1.933 1.00 0.89 H new ATOM 0 HD13 LEU A2075 -12.752 3.945 -1.743 1.00 0.89 H new ATOM 0 HD21 LEU A2075 -12.480 0.948 -2.374 1.00 1.04 H new ATOM 0 HD22 LEU A2075 -13.737 1.988 -3.085 1.00 1.04 H new ATOM 0 HD23 LEU A2075 -12.650 1.055 -4.142 1.00 1.04 H new ATOM 444 N GLY A2076 -13.842 4.554 -6.620 1.00 1.16 N ATOM 445 CA GLY A2076 -14.409 5.468 -7.595 1.00 1.30 C ATOM 446 C GLY A2076 -14.026 6.911 -7.339 1.00 0.86 C ATOM 447 O GLY A2076 -14.653 7.832 -7.861 1.00 1.11 O ATOM 0 H GLY A2076 -14.428 4.387 -5.802 1.00 1.16 H new ATOM 0 HA2 GLY A2076 -14.077 5.180 -8.592 1.00 1.30 H new ATOM 0 HA3 GLY A2076 -15.495 5.377 -7.582 1.00 1.30 H new ATOM 451 N HIS A2077 -12.999 7.106 -6.534 1.00 0.88 N ATOM 452 CA HIS A2077 -12.470 8.433 -6.267 1.00 0.79 C ATOM 453 C HIS A2077 -10.959 8.391 -6.428 1.00 1.18 C ATOM 454 O HIS A2077 -10.305 7.506 -5.882 1.00 2.09 O ATOM 455 CB HIS A2077 -12.853 8.913 -4.851 1.00 1.03 C ATOM 456 CG HIS A2077 -12.211 8.139 -3.730 1.00 0.93 C ATOM 457 ND1 HIS A2077 -10.901 8.322 -3.352 1.00 1.17 N ATOM 458 CD2 HIS A2077 -12.695 7.162 -2.929 1.00 0.89 C ATOM 459 CE1 HIS A2077 -10.599 7.491 -2.380 1.00 1.04 C ATOM 460 NE2 HIS A2077 -11.674 6.773 -2.094 1.00 0.92 N ATOM 0 H HIS A2077 -12.509 6.355 -6.048 1.00 0.88 H new ATOM 0 HA HIS A2077 -12.900 9.142 -6.974 1.00 0.79 H new ATOM 0 HB2 HIS A2077 -12.580 9.964 -4.752 1.00 1.03 H new ATOM 0 HB3 HIS A2077 -13.936 8.853 -4.742 1.00 1.03 H new ATOM 0 HD1 HIS A2077 -10.261 9.001 -3.764 1.00 1.17 H new ATOM 0 HD2 HIS A2077 -13.698 6.762 -2.943 1.00 0.89 H new ATOM 0 HE1 HIS A2077 -9.637 7.408 -1.896 1.00 1.04 H new ATOM 469 N HIS A2078 -10.393 9.319 -7.179 1.00 1.15 N ATOM 470 CA HIS A2078 -8.962 9.288 -7.413 1.00 1.82 C ATOM 471 C HIS A2078 -8.302 10.624 -7.083 1.00 1.20 C ATOM 472 O HIS A2078 -7.717 11.290 -7.934 1.00 1.46 O ATOM 473 CB HIS A2078 -8.654 8.815 -8.842 1.00 2.98 C ATOM 474 CG HIS A2078 -7.191 8.730 -9.175 1.00 4.08 C ATOM 475 ND1 HIS A2078 -6.552 9.607 -10.025 1.00 5.04 N ATOM 476 CD2 HIS A2078 -6.247 7.854 -8.769 1.00 4.50 C ATOM 477 CE1 HIS A2078 -5.279 9.272 -10.126 1.00 5.96 C ATOM 478 NE2 HIS A2078 -5.066 8.211 -9.371 1.00 5.67 N ATOM 0 H HIS A2078 -10.890 10.088 -7.629 1.00 1.15 H new ATOM 0 HA HIS A2078 -8.525 8.560 -6.730 1.00 1.82 H new ATOM 0 HB2 HIS A2078 -9.104 7.833 -8.990 1.00 2.98 H new ATOM 0 HB3 HIS A2078 -9.134 9.495 -9.546 1.00 2.98 H new ATOM 0 HD2 HIS A2078 -6.394 7.024 -8.094 1.00 4.50 H new ATOM 0 HE1 HIS A2078 -4.538 9.780 -10.725 1.00 5.96 H new ATOM 0 HE2 HIS A2078 -4.172 7.735 -9.254 1.00 5.67 H new ATOM 487 N THR A2079 -8.434 11.016 -5.832 1.00 1.12 N ATOM 488 CA THR A2079 -7.625 12.076 -5.269 1.00 0.78 C ATOM 489 C THR A2079 -6.912 11.526 -4.040 1.00 0.67 C ATOM 490 O THR A2079 -7.515 11.397 -2.974 1.00 0.86 O ATOM 491 CB THR A2079 -8.463 13.298 -4.857 1.00 1.25 C ATOM 492 OG1 THR A2079 -9.476 13.559 -5.837 1.00 1.52 O ATOM 493 CG2 THR A2079 -7.581 14.523 -4.704 1.00 1.42 C ATOM 0 H THR A2079 -9.104 10.609 -5.179 1.00 1.12 H new ATOM 0 HA THR A2079 -6.919 12.408 -6.030 1.00 0.78 H new ATOM 0 HB THR A2079 -8.935 13.079 -3.899 1.00 1.25 H new ATOM 0 HG1 THR A2079 -10.004 14.338 -5.563 1.00 1.52 H new ATOM 0 HG21 THR A2079 -8.192 15.377 -4.412 1.00 1.42 H new ATOM 0 HG22 THR A2079 -6.829 14.336 -3.938 1.00 1.42 H new ATOM 0 HG23 THR A2079 -7.088 14.737 -5.652 1.00 1.42 H new ATOM 501 N PRO A2080 -5.624 11.182 -4.168 1.00 0.48 N ATOM 502 CA PRO A2080 -4.864 10.560 -3.082 1.00 0.48 C ATOM 503 C PRO A2080 -4.618 11.555 -1.963 1.00 0.69 C ATOM 504 O PRO A2080 -4.258 11.195 -0.842 1.00 0.70 O ATOM 505 CB PRO A2080 -3.535 10.158 -3.738 1.00 0.56 C ATOM 506 CG PRO A2080 -3.723 10.365 -5.205 1.00 0.56 C ATOM 507 CD PRO A2080 -4.787 11.411 -5.350 1.00 0.50 C ATOM 0 HA PRO A2080 -5.389 9.715 -2.637 1.00 0.48 H new ATOM 0 HB2 PRO A2080 -2.713 10.766 -3.360 1.00 0.56 H new ATOM 0 HB3 PRO A2080 -3.290 9.119 -3.519 1.00 0.56 H new ATOM 0 HG2 PRO A2080 -2.794 10.688 -5.674 1.00 0.56 H new ATOM 0 HG3 PRO A2080 -4.021 9.437 -5.693 1.00 0.56 H new ATOM 0 HD2 PRO A2080 -4.368 12.417 -5.361 1.00 0.50 H new ATOM 0 HD3 PRO A2080 -5.350 11.290 -6.275 1.00 0.50 H new ATOM 515 N GLU A2081 -4.837 12.811 -2.300 1.00 0.93 N ATOM 516 CA GLU A2081 -4.658 13.920 -1.385 1.00 1.22 C ATOM 517 C GLU A2081 -5.655 13.837 -0.240 1.00 1.21 C ATOM 518 O GLU A2081 -5.356 14.192 0.901 1.00 1.32 O ATOM 519 CB GLU A2081 -4.851 15.216 -2.150 1.00 1.52 C ATOM 520 CG GLU A2081 -4.047 15.248 -3.422 1.00 2.12 C ATOM 521 CD GLU A2081 -2.572 15.000 -3.188 1.00 2.46 C ATOM 522 OE1 GLU A2081 -2.137 13.838 -3.308 1.00 2.53 O ATOM 523 OE2 GLU A2081 -1.843 15.960 -2.869 1.00 2.96 O ATOM 0 H GLU A2081 -5.148 13.093 -3.229 1.00 0.93 H new ATOM 0 HA GLU A2081 -3.654 13.882 -0.961 1.00 1.22 H new ATOM 0 HB2 GLU A2081 -5.907 15.343 -2.386 1.00 1.52 H new ATOM 0 HB3 GLU A2081 -4.562 16.056 -1.518 1.00 1.52 H new ATOM 0 HG2 GLU A2081 -4.433 14.496 -4.110 1.00 2.12 H new ATOM 0 HG3 GLU A2081 -4.176 16.217 -3.904 1.00 2.12 H new ATOM 530 N SER A2082 -6.836 13.334 -0.561 1.00 1.13 N ATOM 531 CA SER A2082 -7.918 13.239 0.395 1.00 1.23 C ATOM 532 C SER A2082 -7.805 11.953 1.213 1.00 0.99 C ATOM 533 O SER A2082 -8.558 11.736 2.166 1.00 1.06 O ATOM 534 CB SER A2082 -9.256 13.311 -0.351 1.00 1.44 C ATOM 535 OG SER A2082 -10.361 13.085 0.511 1.00 1.70 O ATOM 0 H SER A2082 -7.067 12.982 -1.490 1.00 1.13 H new ATOM 0 HA SER A2082 -7.860 14.073 1.095 1.00 1.23 H new ATOM 0 HB2 SER A2082 -9.357 14.290 -0.820 1.00 1.44 H new ATOM 0 HB3 SER A2082 -9.264 12.572 -1.152 1.00 1.44 H new ATOM 0 HG SER A2082 -10.050 12.660 1.337 1.00 1.70 H new ATOM 541 N ILE A2083 -6.842 11.116 0.856 1.00 0.76 N ATOM 542 CA ILE A2083 -6.631 9.855 1.550 1.00 0.55 C ATOM 543 C ILE A2083 -5.720 10.067 2.755 1.00 0.43 C ATOM 544 O ILE A2083 -4.495 10.059 2.637 1.00 0.46 O ATOM 545 CB ILE A2083 -6.031 8.793 0.603 1.00 0.45 C ATOM 546 CG1 ILE A2083 -6.891 8.690 -0.663 1.00 0.58 C ATOM 547 CG2 ILE A2083 -5.927 7.441 1.304 1.00 0.42 C ATOM 548 CD1 ILE A2083 -6.437 7.627 -1.636 1.00 0.47 C ATOM 0 H ILE A2083 -6.193 11.288 0.088 1.00 0.76 H new ATOM 0 HA ILE A2083 -7.598 9.489 1.895 1.00 0.55 H new ATOM 0 HB ILE A2083 -5.023 9.096 0.320 1.00 0.45 H new ATOM 0 HG12 ILE A2083 -7.921 8.485 -0.373 1.00 0.58 H new ATOM 0 HG13 ILE A2083 -6.889 9.655 -1.170 1.00 0.58 H new ATOM 0 HG21 ILE A2083 -5.502 6.708 0.619 1.00 0.42 H new ATOM 0 HG22 ILE A2083 -5.285 7.534 2.180 1.00 0.42 H new ATOM 0 HG23 ILE A2083 -6.920 7.115 1.614 1.00 0.42 H new ATOM 0 HD11 ILE A2083 -7.098 7.621 -2.502 1.00 0.47 H new ATOM 0 HD12 ILE A2083 -5.418 7.840 -1.959 1.00 0.47 H new ATOM 0 HD13 ILE A2083 -6.467 6.652 -1.150 1.00 0.47 H new ATOM 560 N SER A2084 -6.337 10.281 3.907 1.00 0.38 N ATOM 561 CA SER A2084 -5.609 10.565 5.135 1.00 0.32 C ATOM 562 C SER A2084 -5.048 9.281 5.744 1.00 0.29 C ATOM 563 O SER A2084 -5.739 8.266 5.825 1.00 0.31 O ATOM 564 CB SER A2084 -6.541 11.264 6.121 1.00 0.36 C ATOM 565 OG SER A2084 -7.155 12.397 5.521 1.00 0.42 O ATOM 0 H SER A2084 -7.351 10.263 4.017 1.00 0.38 H new ATOM 0 HA SER A2084 -4.767 11.219 4.907 1.00 0.32 H new ATOM 0 HB2 SER A2084 -7.307 10.567 6.460 1.00 0.36 H new ATOM 0 HB3 SER A2084 -5.979 11.574 7.002 1.00 0.36 H new ATOM 0 HG SER A2084 -7.749 12.829 6.170 1.00 0.42 H new ATOM 571 N PRO A2085 -3.780 9.326 6.192 1.00 0.29 N ATOM 572 CA PRO A2085 -3.045 8.147 6.679 1.00 0.28 C ATOM 573 C PRO A2085 -3.615 7.564 7.967 1.00 0.28 C ATOM 574 O PRO A2085 -3.496 6.365 8.217 1.00 0.33 O ATOM 575 CB PRO A2085 -1.639 8.688 6.930 1.00 0.32 C ATOM 576 CG PRO A2085 -1.848 10.136 7.191 1.00 0.36 C ATOM 577 CD PRO A2085 -2.954 10.543 6.266 1.00 0.36 C ATOM 0 HA PRO A2085 -3.095 7.329 5.961 1.00 0.28 H new ATOM 0 HB2 PRO A2085 -1.168 8.194 7.780 1.00 0.32 H new ATOM 0 HB3 PRO A2085 -0.991 8.528 6.068 1.00 0.32 H new ATOM 0 HG2 PRO A2085 -2.119 10.314 8.232 1.00 0.36 H new ATOM 0 HG3 PRO A2085 -0.940 10.707 6.996 1.00 0.36 H new ATOM 0 HD2 PRO A2085 -3.517 11.391 6.656 1.00 0.36 H new ATOM 0 HD3 PRO A2085 -2.575 10.835 5.287 1.00 0.36 H new ATOM 585 N ALA A2086 -4.211 8.416 8.786 1.00 0.30 N ATOM 586 CA ALA A2086 -4.799 7.974 10.045 1.00 0.36 C ATOM 587 C ALA A2086 -6.156 7.311 9.825 1.00 0.30 C ATOM 588 O ALA A2086 -6.641 6.567 10.681 1.00 0.28 O ATOM 589 CB ALA A2086 -4.932 9.143 11.007 1.00 0.47 C ATOM 0 H ALA A2086 -4.301 9.416 8.604 1.00 0.30 H new ATOM 0 HA ALA A2086 -4.131 7.231 10.481 1.00 0.36 H new ATOM 0 HB1 ALA A2086 -5.372 8.797 11.942 1.00 0.47 H new ATOM 0 HB2 ALA A2086 -3.947 9.565 11.205 1.00 0.47 H new ATOM 0 HB3 ALA A2086 -5.572 9.907 10.565 1.00 0.47 H new ATOM 595 N THR A2087 -6.760 7.574 8.674 1.00 0.32 N ATOM 596 CA THR A2087 -8.072 7.033 8.359 1.00 0.28 C ATOM 597 C THR A2087 -7.956 5.592 7.875 1.00 0.24 C ATOM 598 O THR A2087 -6.915 5.167 7.379 1.00 0.28 O ATOM 599 CB THR A2087 -8.768 7.880 7.280 1.00 0.32 C ATOM 600 OG1 THR A2087 -8.578 9.274 7.562 1.00 0.39 O ATOM 601 CG2 THR A2087 -10.260 7.582 7.221 1.00 0.34 C ATOM 0 H THR A2087 -6.360 8.161 7.942 1.00 0.32 H new ATOM 0 HA THR A2087 -8.670 7.058 9.270 1.00 0.28 H new ATOM 0 HB THR A2087 -8.325 7.628 6.317 1.00 0.32 H new ATOM 0 HG1 THR A2087 -9.148 9.808 6.971 1.00 0.39 H new ATOM 0 HG21 THR A2087 -10.723 8.196 6.449 1.00 0.34 H new ATOM 0 HG22 THR A2087 -10.412 6.528 6.986 1.00 0.34 H new ATOM 0 HG23 THR A2087 -10.715 7.808 8.186 1.00 0.34 H new ATOM 609 N ALA A2088 -9.037 4.854 8.020 1.00 0.23 N ATOM 610 CA ALA A2088 -9.070 3.449 7.660 1.00 0.25 C ATOM 611 C ALA A2088 -9.612 3.274 6.255 1.00 0.22 C ATOM 612 O ALA A2088 -10.487 4.025 5.824 1.00 0.25 O ATOM 613 CB ALA A2088 -9.939 2.690 8.644 1.00 0.32 C ATOM 0 H ALA A2088 -9.918 5.210 8.391 1.00 0.23 H new ATOM 0 HA ALA A2088 -8.054 3.055 7.693 1.00 0.25 H new ATOM 0 HB1 ALA A2088 -9.962 1.635 8.371 1.00 0.32 H new ATOM 0 HB2 ALA A2088 -9.529 2.796 9.648 1.00 0.32 H new ATOM 0 HB3 ALA A2088 -10.952 3.093 8.621 1.00 0.32 H new ATOM 619 N PHE A2089 -9.099 2.268 5.547 1.00 0.21 N ATOM 620 CA PHE A2089 -9.581 1.948 4.205 1.00 0.20 C ATOM 621 C PHE A2089 -11.081 1.701 4.208 1.00 0.24 C ATOM 622 O PHE A2089 -11.753 1.924 3.206 1.00 0.26 O ATOM 623 CB PHE A2089 -8.844 0.741 3.629 1.00 0.21 C ATOM 624 CG PHE A2089 -7.525 1.101 3.027 1.00 0.21 C ATOM 625 CD1 PHE A2089 -7.452 2.015 1.991 1.00 0.40 C ATOM 626 CD2 PHE A2089 -6.363 0.533 3.496 1.00 0.44 C ATOM 627 CE1 PHE A2089 -6.237 2.354 1.438 1.00 0.43 C ATOM 628 CE2 PHE A2089 -5.145 0.865 2.946 1.00 0.48 C ATOM 629 CZ PHE A2089 -5.083 1.778 1.917 1.00 0.34 C ATOM 0 H PHE A2089 -8.350 1.661 5.881 1.00 0.21 H new ATOM 0 HA PHE A2089 -9.377 2.809 3.568 1.00 0.20 H new ATOM 0 HB2 PHE A2089 -8.689 0.005 4.418 1.00 0.21 H new ATOM 0 HB3 PHE A2089 -9.468 0.268 2.870 1.00 0.21 H new ATOM 0 HD1 PHE A2089 -8.357 2.467 1.612 1.00 0.40 H new ATOM 0 HD2 PHE A2089 -6.407 -0.181 4.305 1.00 0.44 H new ATOM 0 HE1 PHE A2089 -6.190 3.070 0.631 1.00 0.43 H new ATOM 0 HE2 PHE A2089 -4.240 0.410 3.321 1.00 0.48 H new ATOM 0 HZ PHE A2089 -4.129 2.042 1.486 1.00 0.34 H new ATOM 639 N LYS A2090 -11.581 1.233 5.345 1.00 0.30 N ATOM 640 CA LYS A2090 -13.007 1.131 5.596 1.00 0.40 C ATOM 641 C LYS A2090 -13.711 2.418 5.204 1.00 0.37 C ATOM 642 O LYS A2090 -14.552 2.453 4.306 1.00 0.47 O ATOM 643 CB LYS A2090 -13.222 0.918 7.069 1.00 0.55 C ATOM 644 CG LYS A2090 -14.449 0.110 7.377 1.00 1.19 C ATOM 645 CD LYS A2090 -14.667 0.096 8.857 1.00 1.79 C ATOM 646 CE LYS A2090 -15.389 1.348 9.331 1.00 2.14 C ATOM 647 NZ LYS A2090 -16.832 1.331 8.974 1.00 2.91 N ATOM 0 H LYS A2090 -11.002 0.913 6.121 1.00 0.30 H new ATOM 0 HA LYS A2090 -13.408 0.303 5.011 1.00 0.40 H new ATOM 0 HB2 LYS A2090 -12.350 0.416 7.488 1.00 0.55 H new ATOM 0 HB3 LYS A2090 -13.300 1.887 7.562 1.00 0.55 H new ATOM 0 HG2 LYS A2090 -15.316 0.537 6.873 1.00 1.19 H new ATOM 0 HG3 LYS A2090 -14.332 -0.908 7.004 1.00 1.19 H new ATOM 0 HD2 LYS A2090 -15.248 -0.785 9.131 1.00 1.79 H new ATOM 0 HD3 LYS A2090 -13.706 0.015 9.366 1.00 1.79 H new ATOM 0 HE2 LYS A2090 -15.285 1.439 10.412 1.00 2.14 H new ATOM 0 HE3 LYS A2090 -14.917 2.226 8.891 1.00 2.14 H new ATOM 0 HZ1 LYS A2090 -17.328 2.081 9.497 1.00 2.91 H new ATOM 0 HZ2 LYS A2090 -16.939 1.492 7.952 1.00 2.91 H new ATOM 0 HZ3 LYS A2090 -17.240 0.408 9.223 1.00 2.91 H new ATOM 661 N ASP A2091 -13.329 3.476 5.903 1.00 0.33 N ATOM 662 CA ASP A2091 -13.913 4.795 5.721 1.00 0.35 C ATOM 663 C ASP A2091 -13.574 5.385 4.352 1.00 0.33 C ATOM 664 O ASP A2091 -14.338 6.182 3.811 1.00 0.39 O ATOM 665 CB ASP A2091 -13.428 5.721 6.836 1.00 0.38 C ATOM 666 CG ASP A2091 -14.239 6.999 6.929 1.00 1.03 C ATOM 667 OD1 ASP A2091 -13.689 8.080 6.618 1.00 1.88 O ATOM 668 OD2 ASP A2091 -15.435 6.931 7.279 1.00 1.04 O ATOM 0 H ASP A2091 -12.601 3.443 6.616 1.00 0.33 H new ATOM 0 HA ASP A2091 -14.998 4.697 5.768 1.00 0.35 H new ATOM 0 HB2 ASP A2091 -13.478 5.193 7.789 1.00 0.38 H new ATOM 0 HB3 ASP A2091 -12.381 5.971 6.665 1.00 0.38 H new ATOM 673 N LEU A2092 -12.432 4.992 3.788 1.00 0.30 N ATOM 674 CA LEU A2092 -12.029 5.495 2.477 1.00 0.32 C ATOM 675 C LEU A2092 -12.864 4.878 1.353 1.00 0.30 C ATOM 676 O LEU A2092 -12.945 5.443 0.260 1.00 0.36 O ATOM 677 CB LEU A2092 -10.538 5.241 2.216 1.00 0.34 C ATOM 678 CG LEU A2092 -9.547 6.257 2.815 1.00 0.35 C ATOM 679 CD1 LEU A2092 -10.262 7.431 3.467 1.00 0.73 C ATOM 680 CD2 LEU A2092 -8.615 5.582 3.808 1.00 0.61 C ATOM 0 H LEU A2092 -11.777 4.335 4.213 1.00 0.30 H new ATOM 0 HA LEU A2092 -12.206 6.571 2.486 1.00 0.32 H new ATOM 0 HB2 LEU A2092 -10.288 4.253 2.604 1.00 0.34 H new ATOM 0 HB3 LEU A2092 -10.382 5.209 1.138 1.00 0.34 H new ATOM 0 HG LEU A2092 -8.952 6.652 1.991 1.00 0.35 H new ATOM 0 HD11 LEU A2092 -9.526 8.123 3.876 1.00 0.73 H new ATOM 0 HD12 LEU A2092 -10.870 7.946 2.723 1.00 0.73 H new ATOM 0 HD13 LEU A2092 -10.903 7.066 4.270 1.00 0.73 H new ATOM 0 HD21 LEU A2092 -7.924 6.319 4.218 1.00 0.61 H new ATOM 0 HD22 LEU A2092 -9.200 5.144 4.617 1.00 0.61 H new ATOM 0 HD23 LEU A2092 -8.051 4.798 3.303 1.00 0.61 H new ATOM 692 N GLY A2093 -13.475 3.725 1.613 1.00 0.26 N ATOM 693 CA GLY A2093 -14.384 3.145 0.637 1.00 0.26 C ATOM 694 C GLY A2093 -14.023 1.728 0.242 1.00 0.22 C ATOM 695 O GLY A2093 -14.672 1.136 -0.615 1.00 0.27 O ATOM 0 H GLY A2093 -13.360 3.187 2.472 1.00 0.26 H new ATOM 0 HA2 GLY A2093 -15.395 3.154 1.044 1.00 0.26 H new ATOM 0 HA3 GLY A2093 -14.394 3.771 -0.255 1.00 0.26 H new ATOM 699 N ILE A2094 -12.990 1.189 0.859 1.00 0.22 N ATOM 700 CA ILE A2094 -12.516 -0.153 0.555 1.00 0.19 C ATOM 701 C ILE A2094 -13.442 -1.232 1.111 1.00 0.18 C ATOM 702 O ILE A2094 -13.800 -1.217 2.290 1.00 0.22 O ATOM 703 CB ILE A2094 -11.096 -0.351 1.125 1.00 0.19 C ATOM 704 CG1 ILE A2094 -10.088 0.467 0.325 1.00 0.24 C ATOM 705 CG2 ILE A2094 -10.692 -1.820 1.148 1.00 0.21 C ATOM 706 CD1 ILE A2094 -10.005 0.068 -1.128 1.00 0.28 C ATOM 0 H ILE A2094 -12.454 1.665 1.584 1.00 0.22 H new ATOM 0 HA ILE A2094 -12.502 -0.253 -0.530 1.00 0.19 H new ATOM 0 HB ILE A2094 -11.103 0.000 2.157 1.00 0.19 H new ATOM 0 HG12 ILE A2094 -10.356 1.522 0.389 1.00 0.24 H new ATOM 0 HG13 ILE A2094 -9.103 0.360 0.780 1.00 0.24 H new ATOM 0 HG21 ILE A2094 -9.686 -1.914 1.556 1.00 0.21 H new ATOM 0 HG22 ILE A2094 -11.390 -2.380 1.770 1.00 0.21 H new ATOM 0 HG23 ILE A2094 -10.711 -2.218 0.134 1.00 0.21 H new ATOM 0 HD11 ILE A2094 -9.269 0.692 -1.635 1.00 0.28 H new ATOM 0 HD12 ILE A2094 -9.707 -0.978 -1.202 1.00 0.28 H new ATOM 0 HD13 ILE A2094 -10.979 0.202 -1.598 1.00 0.28 H new ATOM 718 N ASP A2095 -13.832 -2.157 0.243 1.00 0.19 N ATOM 719 CA ASP A2095 -14.537 -3.361 0.665 1.00 0.26 C ATOM 720 C ASP A2095 -13.634 -4.552 0.434 1.00 0.21 C ATOM 721 O ASP A2095 -12.444 -4.386 0.217 1.00 0.23 O ATOM 722 CB ASP A2095 -15.835 -3.568 -0.112 1.00 0.40 C ATOM 723 CG ASP A2095 -16.870 -2.497 0.155 1.00 0.77 C ATOM 724 OD1 ASP A2095 -17.490 -2.524 1.237 1.00 0.94 O ATOM 725 OD2 ASP A2095 -17.057 -1.618 -0.711 1.00 1.07 O ATOM 0 H ASP A2095 -13.671 -2.096 -0.762 1.00 0.19 H new ATOM 0 HA ASP A2095 -14.793 -3.253 1.719 1.00 0.26 H new ATOM 0 HB2 ASP A2095 -15.612 -3.590 -1.179 1.00 0.40 H new ATOM 0 HB3 ASP A2095 -16.254 -4.541 0.146 1.00 0.40 H new ATOM 730 N SER A2096 -14.186 -5.750 0.448 1.00 0.30 N ATOM 731 CA SER A2096 -13.371 -6.929 0.204 1.00 0.35 C ATOM 732 C SER A2096 -12.983 -7.016 -1.263 1.00 0.30 C ATOM 733 O SER A2096 -11.882 -7.447 -1.605 1.00 0.38 O ATOM 734 CB SER A2096 -14.097 -8.205 0.635 1.00 0.51 C ATOM 735 OG SER A2096 -15.485 -7.909 0.870 1.00 0.85 O ATOM 0 H SER A2096 -15.174 -5.934 0.622 1.00 0.30 H new ATOM 0 HA SER A2096 -12.465 -6.836 0.803 1.00 0.35 H new ATOM 0 HB2 SER A2096 -14.002 -8.969 -0.137 1.00 0.51 H new ATOM 0 HB3 SER A2096 -13.641 -8.608 1.540 1.00 0.51 H new ATOM 740 N LEU A2097 -13.887 -6.564 -2.116 1.00 0.29 N ATOM 741 CA LEU A2097 -13.688 -6.624 -3.562 1.00 0.35 C ATOM 742 C LEU A2097 -12.485 -5.794 -3.963 1.00 0.26 C ATOM 743 O LEU A2097 -11.623 -6.234 -4.716 1.00 0.35 O ATOM 744 CB LEU A2097 -14.912 -6.093 -4.297 1.00 0.50 C ATOM 745 CG LEU A2097 -16.232 -6.543 -3.729 1.00 1.06 C ATOM 746 CD1 LEU A2097 -17.389 -5.887 -4.460 1.00 1.39 C ATOM 747 CD2 LEU A2097 -16.328 -8.041 -3.793 1.00 1.65 C ATOM 0 H LEU A2097 -14.774 -6.148 -1.833 1.00 0.29 H new ATOM 0 HA LEU A2097 -13.525 -7.667 -3.832 1.00 0.35 H new ATOM 0 HB2 LEU A2097 -14.880 -5.004 -4.287 1.00 0.50 H new ATOM 0 HB3 LEU A2097 -14.856 -6.404 -5.340 1.00 0.50 H new ATOM 0 HG LEU A2097 -16.290 -6.235 -2.685 1.00 1.06 H new ATOM 0 HD11 LEU A2097 -18.331 -6.228 -4.031 1.00 1.39 H new ATOM 0 HD12 LEU A2097 -17.316 -4.804 -4.359 1.00 1.39 H new ATOM 0 HD13 LEU A2097 -17.352 -6.157 -5.515 1.00 1.39 H new ATOM 0 HD21 LEU A2097 -17.285 -8.362 -3.381 1.00 1.65 H new ATOM 0 HD22 LEU A2097 -16.252 -8.366 -4.831 1.00 1.65 H new ATOM 0 HD23 LEU A2097 -15.517 -8.483 -3.214 1.00 1.65 H new ATOM 759 N THR A2098 -12.448 -4.583 -3.451 1.00 0.19 N ATOM 760 CA THR A2098 -11.387 -3.653 -3.773 1.00 0.16 C ATOM 761 C THR A2098 -10.179 -3.819 -2.861 1.00 0.15 C ATOM 762 O THR A2098 -9.110 -3.273 -3.134 1.00 0.19 O ATOM 763 CB THR A2098 -11.902 -2.214 -3.720 1.00 0.21 C ATOM 764 OG1 THR A2098 -12.826 -2.066 -2.632 1.00 0.26 O ATOM 765 CG2 THR A2098 -12.579 -1.858 -5.032 1.00 0.27 C ATOM 0 H THR A2098 -13.147 -4.217 -2.804 1.00 0.19 H new ATOM 0 HA THR A2098 -11.059 -3.877 -4.788 1.00 0.16 H new ATOM 0 HB THR A2098 -11.060 -1.539 -3.563 1.00 0.21 H new ATOM 0 HG1 THR A2098 -13.151 -1.142 -2.602 1.00 0.26 H new ATOM 0 HG21 THR A2098 -12.943 -0.832 -4.987 1.00 0.27 H new ATOM 0 HG22 THR A2098 -11.863 -1.953 -5.848 1.00 0.27 H new ATOM 0 HG23 THR A2098 -13.417 -2.533 -5.204 1.00 0.27 H new ATOM 773 N ALA A2099 -10.341 -4.583 -1.787 1.00 0.15 N ATOM 774 CA ALA A2099 -9.225 -4.888 -0.907 1.00 0.19 C ATOM 775 C ALA A2099 -8.182 -5.700 -1.659 1.00 0.22 C ATOM 776 O ALA A2099 -6.982 -5.456 -1.542 1.00 0.29 O ATOM 777 CB ALA A2099 -9.701 -5.641 0.331 1.00 0.21 C ATOM 0 H ALA A2099 -11.229 -4.999 -1.508 1.00 0.15 H new ATOM 0 HA ALA A2099 -8.774 -3.952 -0.577 1.00 0.19 H new ATOM 0 HB1 ALA A2099 -8.849 -5.858 0.975 1.00 0.21 H new ATOM 0 HB2 ALA A2099 -10.420 -5.029 0.875 1.00 0.21 H new ATOM 0 HB3 ALA A2099 -10.175 -6.575 0.029 1.00 0.21 H new ATOM 783 N LEU A2100 -8.645 -6.650 -2.458 1.00 0.22 N ATOM 784 CA LEU A2100 -7.740 -7.465 -3.242 1.00 0.27 C ATOM 785 C LEU A2100 -7.167 -6.653 -4.400 1.00 0.26 C ATOM 786 O LEU A2100 -5.986 -6.757 -4.697 1.00 0.29 O ATOM 787 CB LEU A2100 -8.430 -8.754 -3.726 1.00 0.31 C ATOM 788 CG LEU A2100 -9.761 -8.582 -4.468 1.00 0.33 C ATOM 789 CD1 LEU A2100 -9.541 -8.391 -5.962 1.00 0.36 C ATOM 790 CD2 LEU A2100 -10.667 -9.777 -4.211 1.00 0.40 C ATOM 0 H LEU A2100 -9.633 -6.871 -2.578 1.00 0.22 H new ATOM 0 HA LEU A2100 -6.908 -7.772 -2.608 1.00 0.27 H new ATOM 0 HB2 LEU A2100 -7.740 -9.284 -4.382 1.00 0.31 H new ATOM 0 HB3 LEU A2100 -8.602 -9.394 -2.861 1.00 0.31 H new ATOM 0 HG LEU A2100 -10.246 -7.684 -4.086 1.00 0.33 H new ATOM 0 HD11 LEU A2100 -10.504 -8.272 -6.459 1.00 0.36 H new ATOM 0 HD12 LEU A2100 -8.934 -7.502 -6.130 1.00 0.36 H new ATOM 0 HD13 LEU A2100 -9.028 -9.263 -6.369 1.00 0.36 H new ATOM 0 HD21 LEU A2100 -11.608 -9.641 -4.744 1.00 0.40 H new ATOM 0 HD22 LEU A2100 -10.179 -10.686 -4.562 1.00 0.40 H new ATOM 0 HD23 LEU A2100 -10.864 -9.861 -3.142 1.00 0.40 H new ATOM 802 N GLU A2101 -8.001 -5.815 -5.015 1.00 0.24 N ATOM 803 CA GLU A2101 -7.576 -4.954 -6.118 1.00 0.26 C ATOM 804 C GLU A2101 -6.468 -4.001 -5.683 1.00 0.24 C ATOM 805 O GLU A2101 -5.499 -3.779 -6.413 1.00 0.27 O ATOM 806 CB GLU A2101 -8.775 -4.155 -6.615 1.00 0.29 C ATOM 807 CG GLU A2101 -9.911 -5.022 -7.113 1.00 0.35 C ATOM 808 CD GLU A2101 -9.670 -5.554 -8.508 1.00 0.50 C ATOM 809 OE1 GLU A2101 -10.346 -5.094 -9.450 1.00 0.72 O ATOM 810 OE2 GLU A2101 -8.808 -6.445 -8.667 1.00 0.56 O ATOM 0 H GLU A2101 -8.985 -5.714 -4.765 1.00 0.24 H new ATOM 0 HA GLU A2101 -7.183 -5.582 -6.918 1.00 0.26 H new ATOM 0 HB2 GLU A2101 -9.139 -3.521 -5.807 1.00 0.29 H new ATOM 0 HB3 GLU A2101 -8.453 -3.494 -7.419 1.00 0.29 H new ATOM 0 HG2 GLU A2101 -10.051 -5.859 -6.429 1.00 0.35 H new ATOM 0 HG3 GLU A2101 -10.835 -4.444 -7.103 1.00 0.35 H new ATOM 817 N LEU A2102 -6.625 -3.430 -4.499 1.00 0.21 N ATOM 818 CA LEU A2102 -5.641 -2.553 -3.938 1.00 0.22 C ATOM 819 C LEU A2102 -4.330 -3.293 -3.708 1.00 0.24 C ATOM 820 O LEU A2102 -3.269 -2.844 -4.145 1.00 0.27 O ATOM 821 CB LEU A2102 -6.204 -1.996 -2.648 1.00 0.24 C ATOM 822 CG LEU A2102 -5.312 -1.016 -1.932 1.00 0.28 C ATOM 823 CD1 LEU A2102 -4.654 -0.054 -2.897 1.00 0.65 C ATOM 824 CD2 LEU A2102 -6.115 -0.256 -0.914 1.00 0.57 C ATOM 0 H LEU A2102 -7.445 -3.570 -3.908 1.00 0.21 H new ATOM 0 HA LEU A2102 -5.419 -1.735 -4.623 1.00 0.22 H new ATOM 0 HB2 LEU A2102 -7.154 -1.507 -2.865 1.00 0.24 H new ATOM 0 HB3 LEU A2102 -6.419 -2.826 -1.975 1.00 0.24 H new ATOM 0 HG LEU A2102 -4.521 -1.577 -1.434 1.00 0.28 H new ATOM 0 HD11 LEU A2102 -4.018 0.638 -2.344 1.00 0.65 H new ATOM 0 HD12 LEU A2102 -4.048 -0.612 -3.611 1.00 0.65 H new ATOM 0 HD13 LEU A2102 -5.421 0.506 -3.432 1.00 0.65 H new ATOM 0 HD21 LEU A2102 -5.469 0.453 -0.396 1.00 0.57 H new ATOM 0 HD22 LEU A2102 -6.919 0.284 -1.414 1.00 0.57 H new ATOM 0 HD23 LEU A2102 -6.541 -0.953 -0.192 1.00 0.57 H new ATOM 836 N ARG A2103 -4.416 -4.437 -3.046 1.00 0.26 N ATOM 837 CA ARG A2103 -3.259 -5.286 -2.835 1.00 0.34 C ATOM 838 C ARG A2103 -2.634 -5.689 -4.168 1.00 0.35 C ATOM 839 O ARG A2103 -1.415 -5.731 -4.296 1.00 0.43 O ATOM 840 CB ARG A2103 -3.670 -6.531 -2.064 1.00 0.48 C ATOM 841 CG ARG A2103 -2.509 -7.441 -1.746 1.00 0.94 C ATOM 842 CD ARG A2103 -2.988 -8.760 -1.180 1.00 0.77 C ATOM 843 NE ARG A2103 -3.510 -9.639 -2.228 1.00 0.94 N ATOM 844 CZ ARG A2103 -4.736 -10.165 -2.236 1.00 1.48 C ATOM 845 NH1 ARG A2103 -5.596 -9.891 -1.263 1.00 2.43 N ATOM 846 NH2 ARG A2103 -5.101 -10.961 -3.231 1.00 1.60 N ATOM 0 H ARG A2103 -5.281 -4.798 -2.645 1.00 0.26 H new ATOM 0 HA ARG A2103 -2.520 -4.728 -2.260 1.00 0.34 H new ATOM 0 HB2 ARG A2103 -4.155 -6.232 -1.135 1.00 0.48 H new ATOM 0 HB3 ARG A2103 -4.408 -7.084 -2.645 1.00 0.48 H new ATOM 0 HG2 ARG A2103 -1.926 -7.620 -2.649 1.00 0.94 H new ATOM 0 HG3 ARG A2103 -1.847 -6.954 -1.030 1.00 0.94 H new ATOM 0 HD2 ARG A2103 -2.165 -9.256 -0.665 1.00 0.77 H new ATOM 0 HD3 ARG A2103 -3.765 -8.577 -0.437 1.00 0.77 H new ATOM 0 HE ARG A2103 -2.892 -9.865 -3.008 1.00 0.94 H new ATOM 0 HH11 ARG A2103 -5.322 -9.273 -0.499 1.00 2.43 H new ATOM 0 HH12 ARG A2103 -6.531 -10.299 -1.279 1.00 2.43 H new ATOM 0 HH21 ARG A2103 -4.446 -11.168 -3.985 1.00 1.60 H new ATOM 0 HH22 ARG A2103 -6.037 -11.366 -3.243 1.00 1.60 H new ATOM 860 N ASN A2104 -3.482 -5.996 -5.146 1.00 0.33 N ATOM 861 CA ASN A2104 -3.041 -6.339 -6.496 1.00 0.38 C ATOM 862 C ASN A2104 -2.069 -5.299 -7.035 1.00 0.39 C ATOM 863 O ASN A2104 -0.985 -5.639 -7.514 1.00 0.48 O ATOM 864 CB ASN A2104 -4.246 -6.456 -7.437 1.00 0.39 C ATOM 865 CG ASN A2104 -5.000 -7.765 -7.289 1.00 0.43 C ATOM 866 OD1 ASN A2104 -4.431 -8.789 -6.908 1.00 0.47 O ATOM 867 ND2 ASN A2104 -6.287 -7.742 -7.608 1.00 0.44 N ATOM 0 H ASN A2104 -4.495 -6.014 -5.025 1.00 0.33 H new ATOM 0 HA ASN A2104 -2.528 -7.300 -6.446 1.00 0.38 H new ATOM 0 HB2 ASN A2104 -4.929 -5.628 -7.246 1.00 0.39 H new ATOM 0 HB3 ASN A2104 -3.904 -6.356 -8.467 1.00 0.39 H new ATOM 0 HD21 ASN A2104 -6.844 -8.594 -7.542 1.00 0.44 H new ATOM 0 HD22 ASN A2104 -6.720 -6.872 -7.919 1.00 0.44 H new ATOM 874 N THR A2105 -2.444 -4.031 -6.928 1.00 0.33 N ATOM 875 CA THR A2105 -1.592 -2.953 -7.400 1.00 0.39 C ATOM 876 C THR A2105 -0.343 -2.844 -6.531 1.00 0.42 C ATOM 877 O THR A2105 0.766 -2.735 -7.044 1.00 0.51 O ATOM 878 CB THR A2105 -2.330 -1.601 -7.401 1.00 0.41 C ATOM 879 OG1 THR A2105 -3.605 -1.742 -8.045 1.00 0.46 O ATOM 880 CG2 THR A2105 -1.507 -0.539 -8.123 1.00 0.51 C ATOM 0 H THR A2105 -3.328 -3.727 -6.520 1.00 0.33 H new ATOM 0 HA THR A2105 -1.309 -3.191 -8.425 1.00 0.39 H new ATOM 0 HB THR A2105 -2.476 -1.287 -6.367 1.00 0.41 H new ATOM 0 HG1 THR A2105 -4.071 -0.880 -8.041 1.00 0.46 H new ATOM 0 HG21 THR A2105 -2.046 0.408 -8.113 1.00 0.51 H new ATOM 0 HG22 THR A2105 -0.548 -0.417 -7.619 1.00 0.51 H new ATOM 0 HG23 THR A2105 -1.338 -0.849 -9.154 1.00 0.51 H new ATOM 888 N LEU A2106 -0.534 -2.903 -5.216 1.00 0.42 N ATOM 889 CA LEU A2106 0.572 -2.802 -4.265 1.00 0.55 C ATOM 890 C LEU A2106 1.623 -3.882 -4.522 1.00 0.54 C ATOM 891 O LEU A2106 2.826 -3.609 -4.518 1.00 0.56 O ATOM 892 CB LEU A2106 0.041 -2.914 -2.832 1.00 0.74 C ATOM 893 CG LEU A2106 -0.949 -1.826 -2.417 1.00 0.44 C ATOM 894 CD1 LEU A2106 -1.412 -2.045 -0.987 1.00 1.13 C ATOM 895 CD2 LEU A2106 -0.330 -0.445 -2.568 1.00 0.81 C ATOM 0 H LEU A2106 -1.449 -3.021 -4.782 1.00 0.42 H new ATOM 0 HA LEU A2106 1.048 -1.830 -4.399 1.00 0.55 H new ATOM 0 HB2 LEU A2106 -0.441 -3.885 -2.715 1.00 0.74 H new ATOM 0 HB3 LEU A2106 0.887 -2.894 -2.145 1.00 0.74 H new ATOM 0 HG LEU A2106 -1.815 -1.886 -3.076 1.00 0.44 H new ATOM 0 HD11 LEU A2106 -2.116 -1.261 -0.709 1.00 1.13 H new ATOM 0 HD12 LEU A2106 -1.900 -3.016 -0.907 1.00 1.13 H new ATOM 0 HD13 LEU A2106 -0.552 -2.015 -0.318 1.00 1.13 H new ATOM 0 HD21 LEU A2106 -1.053 0.313 -2.267 1.00 0.81 H new ATOM 0 HD22 LEU A2106 0.556 -0.372 -1.937 1.00 0.81 H new ATOM 0 HD23 LEU A2106 -0.048 -0.284 -3.609 1.00 0.81 H new ATOM 907 N THR A2107 1.153 -5.099 -4.760 1.00 0.56 N ATOM 908 CA THR A2107 2.022 -6.238 -5.025 1.00 0.62 C ATOM 909 C THR A2107 2.799 -6.043 -6.326 1.00 0.60 C ATOM 910 O THR A2107 4.016 -6.239 -6.380 1.00 0.64 O ATOM 911 CB THR A2107 1.192 -7.535 -5.118 1.00 0.69 C ATOM 912 OG1 THR A2107 0.359 -7.660 -3.960 1.00 0.73 O ATOM 913 CG2 THR A2107 2.084 -8.759 -5.230 1.00 0.81 C ATOM 0 H THR A2107 0.158 -5.325 -4.775 1.00 0.56 H new ATOM 0 HA THR A2107 2.730 -6.316 -4.200 1.00 0.62 H new ATOM 0 HB THR A2107 0.578 -7.476 -6.016 1.00 0.69 H new ATOM 0 HG1 THR A2107 -0.398 -7.042 -4.033 1.00 0.73 H new ATOM 0 HG21 THR A2107 1.466 -9.655 -5.294 1.00 0.81 H new ATOM 0 HG22 THR A2107 2.701 -8.679 -6.125 1.00 0.81 H new ATOM 0 HG23 THR A2107 2.726 -8.823 -4.352 1.00 0.81 H new ATOM 921 N HIS A2108 2.091 -5.632 -7.368 1.00 0.58 N ATOM 922 CA HIS A2108 2.687 -5.470 -8.687 1.00 0.62 C ATOM 923 C HIS A2108 3.598 -4.243 -8.740 1.00 0.60 C ATOM 924 O HIS A2108 4.610 -4.242 -9.440 1.00 0.68 O ATOM 925 CB HIS A2108 1.582 -5.363 -9.745 1.00 0.68 C ATOM 926 CG HIS A2108 2.089 -5.220 -11.148 1.00 1.20 C ATOM 927 ND1 HIS A2108 2.590 -6.275 -11.877 1.00 1.74 N ATOM 928 CD2 HIS A2108 2.177 -4.134 -11.951 1.00 2.24 C ATOM 929 CE1 HIS A2108 2.966 -5.843 -13.067 1.00 2.48 C ATOM 930 NE2 HIS A2108 2.726 -4.549 -13.136 1.00 2.81 N ATOM 0 H HIS A2108 1.098 -5.403 -7.325 1.00 0.58 H new ATOM 0 HA HIS A2108 3.302 -6.346 -8.895 1.00 0.62 H new ATOM 0 HB2 HIS A2108 0.951 -6.250 -9.687 1.00 0.68 H new ATOM 0 HB3 HIS A2108 0.950 -4.507 -9.509 1.00 0.68 H new ATOM 0 HD2 HIS A2108 1.872 -3.128 -11.704 1.00 2.24 H new ATOM 0 HE1 HIS A2108 3.397 -6.448 -13.851 1.00 2.48 H new ATOM 0 HE2 HIS A2108 2.918 -3.953 -13.941 1.00 2.81 H new ATOM 939 N ASN A2109 3.238 -3.213 -7.989 1.00 0.57 N ATOM 940 CA ASN A2109 3.957 -1.944 -8.021 1.00 0.64 C ATOM 941 C ASN A2109 5.316 -2.067 -7.342 1.00 0.66 C ATOM 942 O ASN A2109 6.292 -1.447 -7.770 1.00 0.85 O ATOM 943 CB ASN A2109 3.135 -0.861 -7.323 1.00 0.82 C ATOM 944 CG ASN A2109 3.387 0.525 -7.883 1.00 1.61 C ATOM 945 OD1 ASN A2109 4.303 1.231 -7.458 1.00 1.85 O ATOM 946 ND2 ASN A2109 2.555 0.930 -8.828 1.00 2.60 N ATOM 0 H ASN A2109 2.447 -3.230 -7.345 1.00 0.57 H new ATOM 0 HA ASN A2109 4.114 -1.671 -9.064 1.00 0.64 H new ATOM 0 HB2 ASN A2109 2.075 -1.098 -7.418 1.00 0.82 H new ATOM 0 HB3 ASN A2109 3.368 -0.865 -6.258 1.00 0.82 H new ATOM 0 HD21 ASN A2109 2.658 1.860 -9.234 1.00 2.60 H new ATOM 0 HD22 ASN A2109 1.810 0.312 -9.151 1.00 2.60 H new ATOM 953 N THR A2110 5.379 -2.866 -6.286 1.00 0.65 N ATOM 954 CA THR A2110 6.615 -3.035 -5.538 1.00 0.78 C ATOM 955 C THR A2110 7.463 -4.165 -6.113 1.00 0.81 C ATOM 956 O THR A2110 8.687 -4.055 -6.189 1.00 1.02 O ATOM 957 CB THR A2110 6.337 -3.306 -4.048 1.00 0.83 C ATOM 958 OG1 THR A2110 5.363 -4.347 -3.909 1.00 0.72 O ATOM 959 CG2 THR A2110 5.854 -2.043 -3.351 1.00 1.03 C ATOM 0 H THR A2110 4.590 -3.406 -5.929 1.00 0.65 H new ATOM 0 HA THR A2110 7.169 -2.100 -5.627 1.00 0.78 H new ATOM 0 HB THR A2110 7.268 -3.624 -3.578 1.00 0.83 H new ATOM 0 HG1 THR A2110 4.468 -3.981 -4.068 1.00 0.72 H new ATOM 0 HG21 THR A2110 5.664 -2.258 -2.299 1.00 1.03 H new ATOM 0 HG22 THR A2110 6.617 -1.269 -3.431 1.00 1.03 H new ATOM 0 HG23 THR A2110 4.935 -1.696 -3.823 1.00 1.03 H new ATOM 967 N GLY A2111 6.812 -5.251 -6.514 1.00 0.72 N ATOM 968 CA GLY A2111 7.528 -6.367 -7.101 1.00 0.86 C ATOM 969 C GLY A2111 7.528 -7.585 -6.202 1.00 0.88 C ATOM 970 O GLY A2111 7.627 -8.718 -6.676 1.00 1.05 O ATOM 0 H GLY A2111 5.802 -5.378 -6.443 1.00 0.72 H new ATOM 0 HA2 GLY A2111 7.074 -6.624 -8.058 1.00 0.86 H new ATOM 0 HA3 GLY A2111 8.556 -6.069 -7.306 1.00 0.86 H new ATOM 974 N LEU A2112 7.418 -7.345 -4.903 1.00 0.84 N ATOM 975 CA LEU A2112 7.378 -8.412 -3.913 1.00 0.92 C ATOM 976 C LEU A2112 6.015 -9.076 -3.873 1.00 0.80 C ATOM 977 O LEU A2112 5.129 -8.765 -4.667 1.00 0.97 O ATOM 978 CB LEU A2112 7.716 -7.847 -2.537 1.00 1.21 C ATOM 979 CG LEU A2112 9.142 -7.332 -2.384 1.00 1.05 C ATOM 980 CD1 LEU A2112 9.291 -6.622 -1.060 1.00 1.45 C ATOM 981 CD2 LEU A2112 10.132 -8.475 -2.471 1.00 1.34 C ATOM 0 H LEU A2112 7.354 -6.407 -4.506 1.00 0.84 H new ATOM 0 HA LEU A2112 8.114 -9.165 -4.194 1.00 0.92 H new ATOM 0 HB2 LEU A2112 7.026 -7.033 -2.316 1.00 1.21 H new ATOM 0 HB3 LEU A2112 7.544 -8.622 -1.790 1.00 1.21 H new ATOM 0 HG LEU A2112 9.348 -6.632 -3.193 1.00 1.05 H new ATOM 0 HD11 LEU A2112 10.312 -6.256 -0.956 1.00 1.45 H new ATOM 0 HD12 LEU A2112 8.598 -5.781 -1.018 1.00 1.45 H new ATOM 0 HD13 LEU A2112 9.070 -7.315 -0.248 1.00 1.45 H new ATOM 0 HD21 LEU A2112 11.145 -8.088 -2.360 1.00 1.34 H new ATOM 0 HD22 LEU A2112 9.929 -9.194 -1.677 1.00 1.34 H new ATOM 0 HD23 LEU A2112 10.036 -8.967 -3.439 1.00 1.34 H new ATOM 993 N ASP A2113 5.859 -9.990 -2.932 1.00 0.77 N ATOM 994 CA ASP A2113 4.649 -10.785 -2.828 1.00 0.77 C ATOM 995 C ASP A2113 3.877 -10.432 -1.573 1.00 0.92 C ATOM 996 O ASP A2113 4.412 -10.481 -0.464 1.00 1.14 O ATOM 997 CB ASP A2113 4.993 -12.272 -2.833 1.00 0.83 C ATOM 998 CG ASP A2113 3.781 -13.150 -2.582 1.00 0.91 C ATOM 999 OD1 ASP A2113 3.786 -13.919 -1.594 1.00 0.90 O ATOM 1000 OD2 ASP A2113 2.810 -13.070 -3.369 1.00 1.18 O ATOM 0 H ASP A2113 6.562 -10.201 -2.223 1.00 0.77 H new ATOM 0 HA ASP A2113 4.020 -10.563 -3.690 1.00 0.77 H new ATOM 0 HB2 ASP A2113 5.436 -12.536 -3.793 1.00 0.83 H new ATOM 0 HB3 ASP A2113 5.745 -12.470 -2.070 1.00 0.83 H new ATOM 1005 N LEU A2114 2.623 -10.070 -1.753 1.00 1.05 N ATOM 1006 CA LEU A2114 1.783 -9.674 -0.643 1.00 1.34 C ATOM 1007 C LEU A2114 0.770 -10.758 -0.316 1.00 1.00 C ATOM 1008 O LEU A2114 0.199 -11.389 -1.210 1.00 1.04 O ATOM 1009 CB LEU A2114 1.082 -8.350 -0.957 1.00 1.98 C ATOM 1010 CG LEU A2114 1.751 -7.103 -0.365 1.00 2.33 C ATOM 1011 CD1 LEU A2114 3.262 -7.173 -0.513 1.00 2.71 C ATOM 1012 CD2 LEU A2114 1.217 -5.847 -1.036 1.00 2.95 C ATOM 0 H LEU A2114 2.162 -10.042 -2.663 1.00 1.05 H new ATOM 0 HA LEU A2114 2.414 -9.532 0.234 1.00 1.34 H new ATOM 0 HB2 LEU A2114 1.026 -8.234 -2.039 1.00 1.98 H new ATOM 0 HB3 LEU A2114 0.057 -8.403 -0.589 1.00 1.98 H new ATOM 0 HG LEU A2114 1.513 -7.065 0.698 1.00 2.33 H new ATOM 0 HD11 LEU A2114 3.711 -6.277 -0.085 1.00 2.71 H new ATOM 0 HD12 LEU A2114 3.638 -8.052 0.009 1.00 2.71 H new ATOM 0 HD13 LEU A2114 3.521 -7.240 -1.570 1.00 2.71 H new ATOM 0 HD21 LEU A2114 1.701 -4.971 -0.605 1.00 2.95 H new ATOM 0 HD22 LEU A2114 1.426 -5.889 -2.105 1.00 2.95 H new ATOM 0 HD23 LEU A2114 0.140 -5.780 -0.879 1.00 2.95 H new ATOM 1024 N PRO A2115 0.564 -10.997 0.982 1.00 0.85 N ATOM 1025 CA PRO A2115 -0.393 -11.991 1.468 1.00 0.64 C ATOM 1026 C PRO A2115 -1.821 -11.607 1.121 1.00 0.57 C ATOM 1027 O PRO A2115 -2.168 -10.431 1.115 1.00 0.58 O ATOM 1028 CB PRO A2115 -0.206 -11.976 2.988 1.00 0.76 C ATOM 1029 CG PRO A2115 0.475 -10.686 3.299 1.00 0.98 C ATOM 1030 CD PRO A2115 1.258 -10.302 2.077 1.00 1.10 C ATOM 0 HA PRO A2115 -0.223 -12.970 1.019 1.00 0.64 H new ATOM 0 HB2 PRO A2115 -1.165 -12.046 3.501 1.00 0.76 H new ATOM 0 HB3 PRO A2115 0.394 -12.825 3.317 1.00 0.76 H new ATOM 0 HG2 PRO A2115 -0.254 -9.915 3.549 1.00 0.98 H new ATOM 0 HG3 PRO A2115 1.133 -10.794 4.161 1.00 0.98 H new ATOM 0 HD2 PRO A2115 1.261 -9.222 1.927 1.00 1.10 H new ATOM 0 HD3 PRO A2115 2.299 -10.616 2.154 1.00 1.10 H new ATOM 1038 N PRO A2116 -2.673 -12.605 0.842 1.00 0.57 N ATOM 1039 CA PRO A2116 -4.076 -12.380 0.473 1.00 0.62 C ATOM 1040 C PRO A2116 -4.863 -11.656 1.564 1.00 0.58 C ATOM 1041 O PRO A2116 -5.959 -11.162 1.322 1.00 0.68 O ATOM 1042 CB PRO A2116 -4.632 -13.793 0.261 1.00 0.73 C ATOM 1043 CG PRO A2116 -3.677 -14.696 0.963 1.00 0.75 C ATOM 1044 CD PRO A2116 -2.337 -14.036 0.853 1.00 0.63 C ATOM 0 HA PRO A2116 -4.159 -11.741 -0.406 1.00 0.62 H new ATOM 0 HB2 PRO A2116 -5.637 -13.887 0.672 1.00 0.73 H new ATOM 0 HB3 PRO A2116 -4.697 -14.036 -0.800 1.00 0.73 H new ATOM 0 HG2 PRO A2116 -3.962 -14.832 2.006 1.00 0.75 H new ATOM 0 HG3 PRO A2116 -3.665 -15.685 0.505 1.00 0.75 H new ATOM 0 HD2 PRO A2116 -1.691 -14.292 1.692 1.00 0.63 H new ATOM 0 HD3 PRO A2116 -1.813 -14.335 -0.055 1.00 0.63 H new ATOM 1052 N THR A2117 -4.292 -11.588 2.757 1.00 0.54 N ATOM 1053 CA THR A2117 -4.927 -10.906 3.872 1.00 0.59 C ATOM 1054 C THR A2117 -4.339 -9.515 4.081 1.00 0.50 C ATOM 1055 O THR A2117 -4.654 -8.849 5.051 1.00 0.54 O ATOM 1056 CB THR A2117 -4.815 -11.722 5.168 1.00 0.73 C ATOM 1057 OG1 THR A2117 -3.460 -12.142 5.370 1.00 0.74 O ATOM 1058 CG2 THR A2117 -5.738 -12.928 5.122 1.00 0.86 C ATOM 0 H THR A2117 -3.385 -12.000 2.977 1.00 0.54 H new ATOM 0 HA THR A2117 -5.982 -10.802 3.620 1.00 0.59 H new ATOM 0 HB THR A2117 -5.117 -11.090 6.003 1.00 0.73 H new ATOM 0 HG1 THR A2117 -3.105 -11.723 6.181 1.00 0.74 H new ATOM 0 HG21 THR A2117 -5.644 -13.493 6.049 1.00 0.86 H new ATOM 0 HG22 THR A2117 -6.769 -12.593 5.004 1.00 0.86 H new ATOM 0 HG23 THR A2117 -5.464 -13.564 4.280 1.00 0.86 H new ATOM 1066 N LEU A2118 -3.458 -9.113 3.170 1.00 0.45 N ATOM 1067 CA LEU A2118 -2.790 -7.804 3.201 1.00 0.45 C ATOM 1068 C LEU A2118 -3.698 -6.675 3.716 1.00 0.41 C ATOM 1069 O LEU A2118 -3.462 -6.121 4.793 1.00 0.43 O ATOM 1070 CB LEU A2118 -2.303 -7.483 1.785 1.00 0.49 C ATOM 1071 CG LEU A2118 -1.190 -6.448 1.656 1.00 0.40 C ATOM 1072 CD1 LEU A2118 -1.742 -5.036 1.696 1.00 0.70 C ATOM 1073 CD2 LEU A2118 -0.150 -6.661 2.738 1.00 0.65 C ATOM 0 H LEU A2118 -3.180 -9.691 2.377 1.00 0.45 H new ATOM 0 HA LEU A2118 -1.957 -7.865 3.901 1.00 0.45 H new ATOM 0 HB2 LEU A2118 -1.959 -8.410 1.326 1.00 0.49 H new ATOM 0 HB3 LEU A2118 -3.157 -7.137 1.203 1.00 0.49 H new ATOM 0 HG LEU A2118 -0.711 -6.580 0.686 1.00 0.40 H new ATOM 0 HD11 LEU A2118 -0.923 -4.323 1.602 1.00 0.70 H new ATOM 0 HD12 LEU A2118 -2.442 -4.896 0.873 1.00 0.70 H new ATOM 0 HD13 LEU A2118 -2.258 -4.874 2.642 1.00 0.70 H new ATOM 0 HD21 LEU A2118 0.639 -5.916 2.636 1.00 0.65 H new ATOM 0 HD22 LEU A2118 -0.618 -6.561 3.717 1.00 0.65 H new ATOM 0 HD23 LEU A2118 0.278 -7.659 2.640 1.00 0.65 H new ATOM 1085 N ILE A2119 -4.732 -6.345 2.947 1.00 0.38 N ATOM 1086 CA ILE A2119 -5.633 -5.245 3.293 1.00 0.40 C ATOM 1087 C ILE A2119 -6.565 -5.655 4.435 1.00 0.42 C ATOM 1088 O ILE A2119 -7.153 -4.819 5.113 1.00 0.50 O ATOM 1089 CB ILE A2119 -6.468 -4.816 2.061 1.00 0.42 C ATOM 1090 CG1 ILE A2119 -5.550 -4.451 0.886 1.00 0.40 C ATOM 1091 CG2 ILE A2119 -7.391 -3.646 2.392 1.00 0.42 C ATOM 1092 CD1 ILE A2119 -4.721 -3.205 1.107 1.00 0.33 C ATOM 0 H ILE A2119 -4.969 -6.824 2.078 1.00 0.38 H new ATOM 0 HA ILE A2119 -5.027 -4.399 3.618 1.00 0.40 H new ATOM 0 HB ILE A2119 -7.089 -5.664 1.773 1.00 0.42 H new ATOM 0 HG12 ILE A2119 -4.881 -5.288 0.690 1.00 0.40 H new ATOM 0 HG13 ILE A2119 -6.160 -4.314 -0.007 1.00 0.40 H new ATOM 0 HG21 ILE A2119 -7.962 -3.371 1.505 1.00 0.42 H new ATOM 0 HG22 ILE A2119 -8.076 -3.937 3.189 1.00 0.42 H new ATOM 0 HG23 ILE A2119 -6.795 -2.794 2.719 1.00 0.42 H new ATOM 0 HD11 ILE A2119 -4.102 -3.020 0.229 1.00 0.33 H new ATOM 0 HD12 ILE A2119 -5.381 -2.353 1.272 1.00 0.33 H new ATOM 0 HD13 ILE A2119 -4.082 -3.343 1.979 1.00 0.33 H new ATOM 1104 N PHE A2120 -6.671 -6.956 4.648 1.00 0.46 N ATOM 1105 CA PHE A2120 -7.515 -7.510 5.689 1.00 0.53 C ATOM 1106 C PHE A2120 -6.870 -7.308 7.059 1.00 0.52 C ATOM 1107 O PHE A2120 -7.537 -6.951 8.028 1.00 0.60 O ATOM 1108 CB PHE A2120 -7.738 -9.002 5.413 1.00 0.61 C ATOM 1109 CG PHE A2120 -8.498 -9.278 4.143 1.00 1.47 C ATOM 1110 CD1 PHE A2120 -9.813 -9.713 4.184 1.00 1.67 C ATOM 1111 CD2 PHE A2120 -7.896 -9.106 2.911 1.00 2.50 C ATOM 1112 CE1 PHE A2120 -10.509 -9.973 3.021 1.00 2.55 C ATOM 1113 CE2 PHE A2120 -8.587 -9.362 1.743 1.00 3.49 C ATOM 1114 CZ PHE A2120 -9.908 -9.778 1.802 1.00 3.43 C ATOM 0 H PHE A2120 -6.172 -7.658 4.101 1.00 0.46 H new ATOM 0 HA PHE A2120 -8.476 -6.997 5.690 1.00 0.53 H new ATOM 0 HB2 PHE A2120 -6.770 -9.501 5.362 1.00 0.61 H new ATOM 0 HB3 PHE A2120 -8.279 -9.440 6.252 1.00 0.61 H new ATOM 0 HD1 PHE A2120 -10.300 -9.850 5.138 1.00 1.67 H new ATOM 0 HD2 PHE A2120 -6.872 -8.767 2.861 1.00 2.50 H new ATOM 0 HE1 PHE A2120 -11.527 -10.330 3.070 1.00 2.55 H new ATOM 0 HE2 PHE A2120 -8.100 -9.239 0.787 1.00 3.49 H new ATOM 0 HZ PHE A2120 -10.463 -9.948 0.891 1.00 3.43 H new ATOM 1124 N ASP A2121 -5.562 -7.523 7.117 1.00 0.48 N ATOM 1125 CA ASP A2121 -4.807 -7.414 8.353 1.00 0.49 C ATOM 1126 C ASP A2121 -4.475 -5.968 8.680 1.00 0.45 C ATOM 1127 O ASP A2121 -4.642 -5.526 9.816 1.00 0.51 O ATOM 1128 CB ASP A2121 -3.499 -8.201 8.252 1.00 0.50 C ATOM 1129 CG ASP A2121 -3.695 -9.701 8.236 1.00 1.20 C ATOM 1130 OD1 ASP A2121 -4.410 -10.217 9.120 1.00 1.42 O ATOM 1131 OD2 ASP A2121 -3.152 -10.369 7.333 1.00 2.00 O ATOM 0 H ASP A2121 -4.997 -7.778 6.307 1.00 0.48 H new ATOM 0 HA ASP A2121 -5.433 -7.823 9.146 1.00 0.49 H new ATOM 0 HB2 ASP A2121 -2.974 -7.902 7.345 1.00 0.50 H new ATOM 0 HB3 ASP A2121 -2.859 -7.935 9.093 1.00 0.50 H new ATOM 1136 N HIS A2122 -3.995 -5.228 7.687 1.00 0.38 N ATOM 1137 CA HIS A2122 -3.498 -3.875 7.934 1.00 0.37 C ATOM 1138 C HIS A2122 -4.171 -2.860 7.025 1.00 0.34 C ATOM 1139 O HIS A2122 -3.500 -2.268 6.182 1.00 0.32 O ATOM 1140 CB HIS A2122 -1.975 -3.778 7.693 1.00 0.35 C ATOM 1141 CG HIS A2122 -1.215 -5.056 7.885 1.00 0.45 C ATOM 1142 ND1 HIS A2122 -0.696 -5.460 9.097 1.00 0.63 N ATOM 1143 CD2 HIS A2122 -0.870 -6.017 6.991 1.00 0.51 C ATOM 1144 CE1 HIS A2122 -0.066 -6.611 8.940 1.00 0.71 C ATOM 1145 NE2 HIS A2122 -0.159 -6.969 7.674 1.00 0.63 N ATOM 0 H HIS A2122 -3.939 -5.534 6.716 1.00 0.38 H new ATOM 0 HA HIS A2122 -3.727 -3.655 8.977 1.00 0.37 H new ATOM 0 HB2 HIS A2122 -1.806 -3.423 6.676 1.00 0.35 H new ATOM 0 HB3 HIS A2122 -1.564 -3.025 8.366 1.00 0.35 H new ATOM 0 HD2 HIS A2122 -1.111 -6.029 5.938 1.00 0.51 H new ATOM 0 HE1 HIS A2122 0.440 -7.165 9.717 1.00 0.71 H new ATOM 0 HE2 HIS A2122 0.235 -7.818 7.268 1.00 0.63 H new ATOM 1154 N PRO A2123 -5.484 -2.607 7.144 1.00 0.36 N ATOM 1155 CA PRO A2123 -6.078 -1.587 6.311 1.00 0.34 C ATOM 1156 C PRO A2123 -5.820 -0.197 6.883 1.00 0.32 C ATOM 1157 O PRO A2123 -6.453 0.227 7.853 1.00 0.36 O ATOM 1158 CB PRO A2123 -7.568 -1.930 6.356 1.00 0.40 C ATOM 1159 CG PRO A2123 -7.775 -2.638 7.659 1.00 0.43 C ATOM 1160 CD PRO A2123 -6.452 -3.255 8.045 1.00 0.41 C ATOM 0 HA PRO A2123 -5.672 -1.568 5.300 1.00 0.34 H new ATOM 0 HB2 PRO A2123 -8.180 -1.030 6.297 1.00 0.40 H new ATOM 0 HB3 PRO A2123 -7.851 -2.564 5.515 1.00 0.40 H new ATOM 0 HG2 PRO A2123 -8.113 -1.942 8.426 1.00 0.43 H new ATOM 0 HG3 PRO A2123 -8.544 -3.405 7.563 1.00 0.43 H new ATOM 0 HD2 PRO A2123 -6.213 -3.066 9.091 1.00 0.41 H new ATOM 0 HD3 PRO A2123 -6.461 -4.337 7.911 1.00 0.41 H new ATOM 1168 N THR A2124 -4.898 0.507 6.239 1.00 0.27 N ATOM 1169 CA THR A2124 -4.581 1.900 6.529 1.00 0.23 C ATOM 1170 C THR A2124 -3.527 2.382 5.536 1.00 0.22 C ATOM 1171 O THR A2124 -2.677 1.588 5.129 1.00 0.26 O ATOM 1172 CB THR A2124 -4.063 2.115 7.966 1.00 0.31 C ATOM 1173 OG1 THR A2124 -3.763 0.858 8.585 1.00 0.50 O ATOM 1174 CG2 THR A2124 -5.077 2.874 8.807 1.00 0.29 C ATOM 0 H THR A2124 -4.336 0.116 5.483 1.00 0.27 H new ATOM 0 HA THR A2124 -5.505 2.471 6.435 1.00 0.23 H new ATOM 0 HB THR A2124 -3.151 2.709 7.904 1.00 0.31 H new ATOM 0 HG1 THR A2124 -3.434 1.012 9.495 1.00 0.50 H new ATOM 0 HG21 THR A2124 -4.685 3.011 9.815 1.00 0.29 H new ATOM 0 HG22 THR A2124 -5.267 3.848 8.356 1.00 0.29 H new ATOM 0 HG23 THR A2124 -6.007 2.308 8.854 1.00 0.29 H new ATOM 1182 N PRO A2125 -3.546 3.652 5.123 1.00 0.19 N ATOM 1183 CA PRO A2125 -2.580 4.162 4.141 1.00 0.18 C ATOM 1184 C PRO A2125 -1.132 4.085 4.645 1.00 0.17 C ATOM 1185 O PRO A2125 -0.278 3.434 4.030 1.00 0.20 O ATOM 1186 CB PRO A2125 -3.011 5.618 3.932 1.00 0.22 C ATOM 1187 CG PRO A2125 -4.418 5.676 4.425 1.00 0.25 C ATOM 1188 CD PRO A2125 -4.489 4.691 5.553 1.00 0.24 C ATOM 0 HA PRO A2125 -2.585 3.573 3.224 1.00 0.18 H new ATOM 0 HB2 PRO A2125 -2.370 6.303 4.486 1.00 0.22 H new ATOM 0 HB3 PRO A2125 -2.948 5.902 2.881 1.00 0.22 H new ATOM 0 HG2 PRO A2125 -4.674 6.680 4.764 1.00 0.25 H new ATOM 0 HG3 PRO A2125 -5.122 5.418 3.634 1.00 0.25 H new ATOM 0 HD2 PRO A2125 -4.195 5.139 6.502 1.00 0.24 H new ATOM 0 HD3 PRO A2125 -5.496 4.296 5.685 1.00 0.24 H new ATOM 1196 N HIS A2126 -0.867 4.715 5.788 1.00 0.23 N ATOM 1197 CA HIS A2126 0.491 4.795 6.324 1.00 0.31 C ATOM 1198 C HIS A2126 0.965 3.444 6.851 1.00 0.29 C ATOM 1199 O HIS A2126 2.143 3.110 6.742 1.00 0.32 O ATOM 1200 CB HIS A2126 0.573 5.839 7.441 1.00 0.45 C ATOM 1201 CG HIS A2126 1.944 5.980 8.038 1.00 0.58 C ATOM 1202 ND1 HIS A2126 2.971 6.674 7.431 1.00 0.65 N ATOM 1203 CD2 HIS A2126 2.460 5.486 9.189 1.00 0.71 C ATOM 1204 CE1 HIS A2126 4.056 6.594 8.181 1.00 0.77 C ATOM 1205 NE2 HIS A2126 3.772 5.882 9.253 1.00 0.80 N ATOM 0 H HIS A2126 -1.574 5.177 6.360 1.00 0.23 H new ATOM 0 HA HIS A2126 1.144 5.094 5.504 1.00 0.31 H new ATOM 0 HB2 HIS A2126 0.257 6.805 7.047 1.00 0.45 H new ATOM 0 HB3 HIS A2126 -0.131 5.571 8.229 1.00 0.45 H new ATOM 0 HD2 HIS A2126 1.935 4.890 9.921 1.00 0.71 H new ATOM 0 HE1 HIS A2126 5.014 7.037 7.954 1.00 0.77 H new ATOM 0 HE2 HIS A2126 4.422 5.661 10.008 1.00 0.80 H new ATOM 1214 N ALA A2127 0.055 2.685 7.437 1.00 0.28 N ATOM 1215 CA ALA A2127 0.401 1.393 8.013 1.00 0.29 C ATOM 1216 C ALA A2127 0.919 0.431 6.948 1.00 0.26 C ATOM 1217 O ALA A2127 1.928 -0.247 7.153 1.00 0.30 O ATOM 1218 CB ALA A2127 -0.791 0.812 8.742 1.00 0.34 C ATOM 0 H ALA A2127 -0.929 2.939 7.527 1.00 0.28 H new ATOM 0 HA ALA A2127 1.207 1.543 8.732 1.00 0.29 H new ATOM 0 HB1 ALA A2127 -0.521 -0.154 9.169 1.00 0.34 H new ATOM 0 HB2 ALA A2127 -1.095 1.489 9.540 1.00 0.34 H new ATOM 0 HB3 ALA A2127 -1.617 0.682 8.043 1.00 0.34 H new ATOM 1224 N LEU A2128 0.233 0.375 5.807 1.00 0.22 N ATOM 1225 CA LEU A2128 0.719 -0.392 4.670 1.00 0.21 C ATOM 1226 C LEU A2128 2.097 0.099 4.241 1.00 0.21 C ATOM 1227 O LEU A2128 2.964 -0.700 3.882 1.00 0.23 O ATOM 1228 CB LEU A2128 -0.242 -0.289 3.492 1.00 0.21 C ATOM 1229 CG LEU A2128 -1.546 -1.061 3.639 1.00 0.37 C ATOM 1230 CD1 LEU A2128 -2.347 -0.968 2.354 1.00 0.60 C ATOM 1231 CD2 LEU A2128 -1.265 -2.515 3.995 1.00 0.64 C ATOM 0 H LEU A2128 -0.656 0.850 5.650 1.00 0.22 H new ATOM 0 HA LEU A2128 0.788 -1.435 4.981 1.00 0.21 H new ATOM 0 HB2 LEU A2128 -0.479 0.763 3.330 1.00 0.21 H new ATOM 0 HB3 LEU A2128 0.270 -0.642 2.597 1.00 0.21 H new ATOM 0 HG LEU A2128 -2.130 -0.621 4.447 1.00 0.37 H new ATOM 0 HD11 LEU A2128 -3.279 -1.522 2.465 1.00 0.60 H new ATOM 0 HD12 LEU A2128 -2.570 0.077 2.139 1.00 0.60 H new ATOM 0 HD13 LEU A2128 -1.769 -1.392 1.533 1.00 0.60 H new ATOM 0 HD21 LEU A2128 -2.207 -3.053 4.097 1.00 0.64 H new ATOM 0 HD22 LEU A2128 -0.668 -2.974 3.207 1.00 0.64 H new ATOM 0 HD23 LEU A2128 -0.718 -2.560 4.937 1.00 0.64 H new ATOM 1243 N THR A2129 2.283 1.418 4.285 1.00 0.21 N ATOM 1244 CA THR A2129 3.564 2.031 3.960 1.00 0.24 C ATOM 1245 C THR A2129 4.678 1.411 4.786 1.00 0.25 C ATOM 1246 O THR A2129 5.716 1.028 4.258 1.00 0.33 O ATOM 1247 CB THR A2129 3.532 3.559 4.197 1.00 0.27 C ATOM 1248 OG1 THR A2129 2.574 4.169 3.318 1.00 0.27 O ATOM 1249 CG2 THR A2129 4.906 4.195 3.982 1.00 0.32 C ATOM 0 H THR A2129 1.555 2.084 4.545 1.00 0.21 H new ATOM 0 HA THR A2129 3.756 1.848 2.903 1.00 0.24 H new ATOM 0 HB THR A2129 3.243 3.728 5.234 1.00 0.27 H new ATOM 0 HG1 THR A2129 1.669 3.903 3.585 1.00 0.27 H new ATOM 0 HG21 THR A2129 4.841 5.269 4.158 1.00 0.32 H new ATOM 0 HG22 THR A2129 5.623 3.756 4.676 1.00 0.32 H new ATOM 0 HG23 THR A2129 5.234 4.014 2.959 1.00 0.32 H new ATOM 1257 N GLN A2130 4.434 1.289 6.074 1.00 0.25 N ATOM 1258 CA GLN A2130 5.399 0.714 6.992 1.00 0.28 C ATOM 1259 C GLN A2130 5.684 -0.748 6.660 1.00 0.23 C ATOM 1260 O GLN A2130 6.838 -1.178 6.681 1.00 0.22 O ATOM 1261 CB GLN A2130 4.864 0.849 8.406 1.00 0.38 C ATOM 1262 CG GLN A2130 4.485 2.278 8.737 1.00 0.52 C ATOM 1263 CD GLN A2130 5.679 3.125 9.124 1.00 1.39 C ATOM 1264 OE1 GLN A2130 6.317 3.747 8.275 1.00 2.22 O ATOM 1265 NE2 GLN A2130 5.984 3.160 10.408 1.00 1.90 N ATOM 0 H GLN A2130 3.563 1.585 6.515 1.00 0.25 H new ATOM 0 HA GLN A2130 6.343 1.251 6.900 1.00 0.28 H new ATOM 0 HB2 GLN A2130 3.992 0.206 8.526 1.00 0.38 H new ATOM 0 HB3 GLN A2130 5.617 0.501 9.113 1.00 0.38 H new ATOM 0 HG2 GLN A2130 3.990 2.727 7.876 1.00 0.52 H new ATOM 0 HG3 GLN A2130 3.764 2.278 9.555 1.00 0.52 H new ATOM 0 HE21 GLN A2130 5.429 2.629 11.079 1.00 1.90 H new ATOM 0 HE22 GLN A2130 6.775 3.718 10.729 1.00 1.90 H new ATOM 1274 N HIS A2131 4.635 -1.501 6.338 1.00 0.25 N ATOM 1275 CA HIS A2131 4.791 -2.906 5.966 1.00 0.27 C ATOM 1276 C HIS A2131 5.691 -3.035 4.747 1.00 0.26 C ATOM 1277 O HIS A2131 6.711 -3.722 4.784 1.00 0.30 O ATOM 1278 CB HIS A2131 3.433 -3.556 5.671 1.00 0.32 C ATOM 1279 CG HIS A2131 3.544 -4.958 5.137 1.00 0.40 C ATOM 1280 ND1 HIS A2131 4.257 -5.957 5.766 1.00 0.52 N ATOM 1281 CD2 HIS A2131 3.071 -5.507 3.992 1.00 0.42 C ATOM 1282 CE1 HIS A2131 4.225 -7.053 5.031 1.00 0.59 C ATOM 1283 NE2 HIS A2131 3.510 -6.807 3.950 1.00 0.53 N ATOM 0 H HIS A2131 3.672 -1.165 6.327 1.00 0.25 H new ATOM 0 HA HIS A2131 5.248 -3.423 6.810 1.00 0.27 H new ATOM 0 HB2 HIS A2131 2.839 -3.569 6.585 1.00 0.32 H new ATOM 0 HB3 HIS A2131 2.894 -2.942 4.949 1.00 0.32 H new ATOM 0 HD2 HIS A2131 2.461 -5.013 3.250 1.00 0.42 H new ATOM 0 HE1 HIS A2131 4.703 -7.991 5.273 1.00 0.59 H new ATOM 0 HE2 HIS A2131 3.315 -7.475 3.204 1.00 0.53 H new ATOM 1292 N LEU A2132 5.304 -2.367 3.672 1.00 0.27 N ATOM 1293 CA LEU A2132 6.067 -2.420 2.430 1.00 0.33 C ATOM 1294 C LEU A2132 7.450 -1.808 2.613 1.00 0.35 C ATOM 1295 O LEU A2132 8.409 -2.224 1.968 1.00 0.47 O ATOM 1296 CB LEU A2132 5.325 -1.718 1.287 1.00 0.36 C ATOM 1297 CG LEU A2132 4.245 -2.554 0.583 1.00 0.42 C ATOM 1298 CD1 LEU A2132 4.808 -3.896 0.138 1.00 0.48 C ATOM 1299 CD2 LEU A2132 3.032 -2.755 1.478 1.00 0.42 C ATOM 0 H LEU A2132 4.469 -1.783 3.632 1.00 0.27 H new ATOM 0 HA LEU A2132 6.183 -3.471 2.165 1.00 0.33 H new ATOM 0 HB2 LEU A2132 4.860 -0.814 1.681 1.00 0.36 H new ATOM 0 HB3 LEU A2132 6.056 -1.402 0.543 1.00 0.36 H new ATOM 0 HG LEU A2132 3.923 -2.003 -0.301 1.00 0.42 H new ATOM 0 HD11 LEU A2132 4.027 -4.472 -0.358 1.00 0.48 H new ATOM 0 HD12 LEU A2132 5.634 -3.733 -0.555 1.00 0.48 H new ATOM 0 HD13 LEU A2132 5.168 -4.446 1.008 1.00 0.48 H new ATOM 0 HD21 LEU A2132 2.286 -3.350 0.951 1.00 0.42 H new ATOM 0 HD22 LEU A2132 3.333 -3.274 2.388 1.00 0.42 H new ATOM 0 HD23 LEU A2132 2.606 -1.786 1.737 1.00 0.42 H new ATOM 1311 N HIS A2133 7.554 -0.833 3.504 1.00 0.28 N ATOM 1312 CA HIS A2133 8.833 -0.200 3.788 1.00 0.34 C ATOM 1313 C HIS A2133 9.810 -1.222 4.354 1.00 0.38 C ATOM 1314 O HIS A2133 10.971 -1.262 3.957 1.00 0.55 O ATOM 1315 CB HIS A2133 8.647 0.972 4.758 1.00 0.36 C ATOM 1316 CG HIS A2133 9.916 1.693 5.083 1.00 0.47 C ATOM 1317 ND1 HIS A2133 10.394 1.840 6.363 1.00 0.59 N ATOM 1318 CD2 HIS A2133 10.805 2.307 4.277 1.00 0.53 C ATOM 1319 CE1 HIS A2133 11.527 2.514 6.330 1.00 0.67 C ATOM 1320 NE2 HIS A2133 11.806 2.810 5.074 1.00 0.63 N ATOM 0 H HIS A2133 6.770 -0.464 4.042 1.00 0.28 H new ATOM 0 HA HIS A2133 9.245 0.192 2.858 1.00 0.34 H new ATOM 0 HB2 HIS A2133 7.938 1.679 4.327 1.00 0.36 H new ATOM 0 HB3 HIS A2133 8.204 0.600 5.682 1.00 0.36 H new ATOM 0 HD1 HIS A2133 9.943 1.484 7.206 1.00 0.59 H new ATOM 0 HD2 HIS A2133 10.742 2.389 3.202 1.00 0.53 H new ATOM 0 HE1 HIS A2133 12.127 2.780 7.188 1.00 0.67 H new ATOM 1329 N THR A2134 9.325 -2.059 5.260 1.00 0.32 N ATOM 1330 CA THR A2134 10.135 -3.114 5.839 1.00 0.43 C ATOM 1331 C THR A2134 10.422 -4.195 4.804 1.00 0.51 C ATOM 1332 O THR A2134 11.501 -4.774 4.781 1.00 0.66 O ATOM 1333 CB THR A2134 9.425 -3.730 7.059 1.00 0.55 C ATOM 1334 OG1 THR A2134 9.011 -2.687 7.952 1.00 0.59 O ATOM 1335 CG2 THR A2134 10.339 -4.695 7.794 1.00 0.74 C ATOM 0 H THR A2134 8.368 -2.025 5.610 1.00 0.32 H new ATOM 0 HA THR A2134 11.080 -2.679 6.164 1.00 0.43 H new ATOM 0 HB THR A2134 8.555 -4.283 6.705 1.00 0.55 H new ATOM 0 HG1 THR A2134 8.254 -2.203 7.561 1.00 0.59 H new ATOM 0 HG21 THR A2134 9.812 -5.115 8.651 1.00 0.74 H new ATOM 0 HG22 THR A2134 10.636 -5.499 7.121 1.00 0.74 H new ATOM 0 HG23 THR A2134 11.227 -4.164 8.139 1.00 0.74 H new ATOM 1343 N ARG A2135 9.453 -4.444 3.934 1.00 0.52 N ATOM 1344 CA ARG A2135 9.597 -5.447 2.887 1.00 0.71 C ATOM 1345 C ARG A2135 10.779 -5.146 1.969 1.00 0.88 C ATOM 1346 O ARG A2135 11.683 -5.959 1.825 1.00 1.12 O ATOM 1347 CB ARG A2135 8.325 -5.521 2.051 1.00 0.76 C ATOM 1348 CG ARG A2135 7.136 -6.102 2.785 1.00 0.74 C ATOM 1349 CD ARG A2135 7.440 -7.487 3.323 1.00 0.86 C ATOM 1350 NE ARG A2135 8.100 -7.444 4.629 1.00 1.75 N ATOM 1351 CZ ARG A2135 9.078 -8.266 5.012 1.00 2.11 C ATOM 1352 NH1 ARG A2135 9.602 -9.143 4.164 1.00 1.86 N ATOM 1353 NH2 ARG A2135 9.548 -8.189 6.249 1.00 3.18 N ATOM 0 H ARG A2135 8.554 -3.962 3.933 1.00 0.52 H new ATOM 0 HA ARG A2135 9.779 -6.402 3.379 1.00 0.71 H new ATOM 0 HB2 ARG A2135 8.071 -4.519 1.706 1.00 0.76 H new ATOM 0 HB3 ARG A2135 8.521 -6.123 1.164 1.00 0.76 H new ATOM 0 HG2 ARG A2135 6.857 -5.444 3.608 1.00 0.74 H new ATOM 0 HG3 ARG A2135 6.280 -6.151 2.112 1.00 0.74 H new ATOM 0 HD2 ARG A2135 6.513 -8.054 3.406 1.00 0.86 H new ATOM 0 HD3 ARG A2135 8.076 -8.018 2.615 1.00 0.86 H new ATOM 0 HE ARG A2135 7.790 -6.735 5.293 1.00 1.75 H new ATOM 0 HH11 ARG A2135 9.257 -9.194 3.205 1.00 1.86 H new ATOM 0 HH12 ARG A2135 10.350 -9.765 4.471 1.00 1.86 H new ATOM 0 HH21 ARG A2135 9.162 -7.505 6.900 1.00 3.18 H new ATOM 0 HH22 ARG A2135 10.296 -8.814 6.550 1.00 3.18 H new ATOM 1367 N LEU A2136 10.756 -3.973 1.353 1.00 0.92 N ATOM 1368 CA LEU A2136 11.761 -3.584 0.376 1.00 1.20 C ATOM 1369 C LEU A2136 13.142 -3.422 0.996 1.00 1.16 C ATOM 1370 O LEU A2136 14.155 -3.663 0.339 1.00 1.43 O ATOM 1371 CB LEU A2136 11.340 -2.293 -0.316 1.00 1.43 C ATOM 1372 CG LEU A2136 10.313 -2.445 -1.442 1.00 1.71 C ATOM 1373 CD1 LEU A2136 10.818 -3.417 -2.488 1.00 2.17 C ATOM 1374 CD2 LEU A2136 8.957 -2.888 -0.917 1.00 2.37 C ATOM 0 H LEU A2136 10.040 -3.265 1.517 1.00 0.92 H new ATOM 0 HA LEU A2136 11.831 -4.388 -0.356 1.00 1.20 H new ATOM 0 HB2 LEU A2136 10.931 -1.617 0.435 1.00 1.43 H new ATOM 0 HB3 LEU A2136 12.230 -1.814 -0.724 1.00 1.43 H new ATOM 0 HG LEU A2136 10.181 -1.465 -1.900 1.00 1.71 H new ATOM 0 HD11 LEU A2136 10.077 -3.515 -3.282 1.00 2.17 H new ATOM 0 HD12 LEU A2136 11.753 -3.046 -2.908 1.00 2.17 H new ATOM 0 HD13 LEU A2136 10.988 -4.391 -2.028 1.00 2.17 H new ATOM 0 HD21 LEU A2136 8.258 -2.983 -1.748 1.00 2.37 H new ATOM 0 HD22 LEU A2136 9.058 -3.850 -0.415 1.00 2.37 H new ATOM 0 HD23 LEU A2136 8.581 -2.148 -0.210 1.00 2.37 H new ATOM 1386 N THR A2137 13.185 -3.016 2.253 1.00 0.96 N ATOM 1387 CA THR A2137 14.451 -2.851 2.944 1.00 1.08 C ATOM 1388 C THR A2137 15.015 -4.213 3.335 1.00 1.17 C ATOM 1389 O THR A2137 16.229 -4.413 3.376 1.00 1.41 O ATOM 1390 CB THR A2137 14.288 -1.960 4.185 1.00 1.13 C ATOM 1391 OG1 THR A2137 13.244 -2.466 5.024 1.00 1.23 O ATOM 1392 CG2 THR A2137 13.968 -0.530 3.775 1.00 1.15 C ATOM 0 H THR A2137 12.362 -2.796 2.814 1.00 0.96 H new ATOM 0 HA THR A2137 15.151 -2.360 2.268 1.00 1.08 H new ATOM 0 HB THR A2137 15.227 -1.967 4.738 1.00 1.13 H new ATOM 0 HG1 THR A2137 12.377 -2.150 4.694 1.00 1.23 H new ATOM 0 HG21 THR A2137 13.856 0.088 4.666 1.00 1.15 H new ATOM 0 HG22 THR A2137 14.779 -0.137 3.161 1.00 1.15 H new ATOM 0 HG23 THR A2137 13.040 -0.514 3.204 1.00 1.15 H new ATOM 1400 N GLN A2138 14.111 -5.146 3.607 1.00 1.17 N ATOM 1401 CA GLN A2138 14.463 -6.530 3.849 1.00 1.45 C ATOM 1402 C GLN A2138 14.814 -7.230 2.543 1.00 1.71 C ATOM 1403 O GLN A2138 15.607 -8.174 2.522 1.00 2.00 O ATOM 1404 CB GLN A2138 13.287 -7.238 4.512 1.00 1.78 C ATOM 1405 CG GLN A2138 13.218 -7.048 6.016 1.00 1.32 C ATOM 1406 CD GLN A2138 14.403 -7.656 6.750 1.00 1.91 C ATOM 1407 OE1 GLN A2138 14.947 -8.743 6.220 1.00 2.46 O flip ATOM 1408 NE2 GLN A2138 14.817 -7.157 7.797 1.00 2.57 N flip ATOM 0 H GLN A2138 13.110 -4.958 3.665 1.00 1.17 H new ATOM 0 HA GLN A2138 15.334 -6.565 4.504 1.00 1.45 H new ATOM 0 HB2 GLN A2138 12.360 -6.874 4.068 1.00 1.78 H new ATOM 0 HB3 GLN A2138 13.348 -8.304 4.294 1.00 1.78 H new ATOM 0 HG2 GLN A2138 13.168 -5.982 6.239 1.00 1.32 H new ATOM 0 HG3 GLN A2138 12.298 -7.496 6.391 1.00 1.32 H new ATOM 0 HE21 GLN A2138 14.372 -6.320 8.174 1.00 2.57 H new ATOM 0 HE22 GLN A2138 15.605 -7.581 8.287 1.00 2.57 H new ATOM 1417 N SER A2139 14.209 -6.735 1.461 1.00 1.82 N ATOM 1418 CA SER A2139 14.354 -7.285 0.113 1.00 2.34 C ATOM 1419 C SER A2139 14.038 -8.782 0.076 1.00 2.85 C ATOM 1420 O SER A2139 13.351 -9.302 0.959 1.00 3.41 O ATOM 1421 CB SER A2139 15.746 -6.980 -0.469 1.00 2.99 C ATOM 1422 OG SER A2139 16.797 -7.333 0.412 1.00 3.48 O ATOM 0 H SER A2139 13.592 -5.924 1.499 1.00 1.82 H new ATOM 0 HA SER A2139 13.620 -6.790 -0.523 1.00 2.34 H new ATOM 0 HB2 SER A2139 15.868 -7.519 -1.408 1.00 2.99 H new ATOM 0 HB3 SER A2139 15.813 -5.917 -0.701 1.00 2.99 H new ATOM 0 HG SER A2139 17.533 -6.693 0.316 1.00 3.48 H new ATOM 1428 N HIS A2140 14.503 -9.456 -0.969 1.00 3.20 N ATOM 1429 CA HIS A2140 14.251 -10.882 -1.143 1.00 4.12 C ATOM 1430 C HIS A2140 14.856 -11.688 -0.005 1.00 4.36 C ATOM 1431 O HIS A2140 16.100 -11.745 0.085 1.00 4.66 O ATOM 1432 CB HIS A2140 14.813 -11.368 -2.474 1.00 4.76 C ATOM 1433 CG HIS A2140 14.161 -10.745 -3.664 1.00 5.33 C ATOM 1434 ND1 HIS A2140 14.860 -10.303 -4.768 1.00 6.07 N ATOM 1435 CD2 HIS A2140 12.860 -10.491 -3.922 1.00 5.72 C ATOM 1436 CE1 HIS A2140 14.015 -9.804 -5.648 1.00 6.78 C ATOM 1437 NE2 HIS A2140 12.797 -9.908 -5.158 1.00 6.61 N ATOM 1438 OXT HIS A2140 14.090 -12.274 0.786 1.00 4.63 O ATOM 0 H HIS A2140 15.060 -9.035 -1.713 1.00 3.20 H new ATOM 0 HA HIS A2140 13.171 -11.030 -1.137 1.00 4.12 H new ATOM 0 HB2 HIS A2140 15.882 -11.158 -2.505 1.00 4.76 H new ATOM 0 HB3 HIS A2140 14.699 -12.450 -2.533 1.00 4.76 H new ATOM 0 HD2 HIS A2140 12.024 -10.708 -3.273 1.00 5.72 H new ATOM 0 HE1 HIS A2140 14.277 -9.382 -6.607 1.00 6.78 H new ATOM 0 HE2 HIS A2140 11.943 -9.603 -5.625 1.00 6.61 H new TER 1447 HIS A2140 HETATM 1448 P24 66S A2201 -16.526 -9.073 0.640 1.00 1.26 P HETATM 1449 O26 66S A2201 -16.897 -9.212 -0.777 1.00 2.02 O HETATM 1450 O23 66S A2201 -16.040 -10.366 1.167 1.00 2.14 O HETATM 1451 O27 66S A2201 -17.711 -8.493 1.509 1.00 1.51 O HETATM 1452 C28 66S A2201 -18.727 -7.731 0.829 1.00 1.76 C HETATM 1453 C29 66S A2201 -19.962 -7.579 1.748 1.00 2.58 C HETATM 1454 C30 66S A2201 -19.740 -8.346 3.069 1.00 3.17 C HETATM 1455 C31 66S A2201 -21.190 -8.165 1.031 1.00 3.36 C HETATM 1456 C32 66S A2201 -20.213 -6.054 2.038 1.00 3.14 C HETATM 1457 O33 66S A2201 -21.530 -5.880 2.533 1.00 3.66 O HETATM 1458 C34 66S A2201 -19.252 -5.502 3.083 1.00 3.77 C HETATM 1459 O35 66S A2201 -19.499 -5.515 4.274 1.00 4.48 O HETATM 1460 N36 66S A2201 -18.105 -4.993 2.609 1.00 3.99 N HETATM 1461 C37 66S A2201 -16.796 -5.594 2.897 1.00 4.65 C HETATM 1462 C38 66S A2201 -16.186 -5.043 4.202 1.00 5.05 C HETATM 1463 C39 66S A2201 -16.150 -6.115 5.282 1.00 5.31 C HETATM 1464 O40 66S A2201 -15.564 -5.966 6.337 1.00 6.12 O HETATM 1465 N41 66S A2201 -16.809 -7.252 4.999 1.00 4.83 N HETATM 1466 C42 66S A2201 -16.172 -8.572 5.044 1.00 4.77 C HETATM 1467 C43 66S A2201 -14.999 -8.672 4.053 1.00 4.00 C HETATM 1468 S1 66S A2201 -13.878 -10.054 4.446 1.00 3.68 S HETATM 1469 C1 66S A2201 -13.458 -9.668 6.108 1.00 3.22 C HETATM 1470 O1 66S A2201 -14.107 -10.071 7.050 1.00 3.95 O HETATM 1471 C2 66S A2201 -12.236 -8.800 6.261 1.00 2.52 C HETATM 1472 C3 66S A2201 -12.623 -7.319 6.211 1.00 2.11 C HETATM 1473 C4 66S A2201 -12.300 -6.634 7.543 1.00 1.89 C HETATM 1474 C5 66S A2201 -11.162 -5.622 7.359 1.00 1.41 C HETATM 1475 C6 66S A2201 -11.725 -4.265 6.943 1.00 1.16 C HETATM 1476 C7 66S A2201 -11.410 -3.986 5.465 1.00 1.33 C HETATM 1477 C8 66S A2201 -12.653 -3.436 4.754 1.00 1.42 C