USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2077 HIS : no HE2:sc= -4.39 K(o=-4.5,f=-7.3!) USER MOD Set 1.2: A2079 THR OG1 : rot -170:sc= -0.124 USER MOD Set 2.1: A2059 GLN : amide:sc= 2.09 K(o=3.3,f=-2.5!) USER MOD Set 2.2: A2133 HIS : no HD1:sc= 1.19 K(o=3.3,f=-7.2!) USER MOD Single : A2047 SER OG : rot 180:sc= 0 USER MOD Single : A2048 HIS : no HD1:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A2049 MET CE :methyl -136:sc= -1.14 (180deg=-1.81!) USER MOD Single : A2052 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A2055 SER OG : rot 180:sc= 0 USER MOD Single : A2057 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A2058 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.16) USER MOD Single : A2060 GLN : amide:sc= -1.98! C(o=-2!,f=-6.9!) USER MOD Single : A2061 GLN : amide:sc= -0.663 X(o=-0.66,f=-0.42) USER MOD Single : A2062 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A2065 THR OG1 : rot 77:sc= 1.06 USER MOD Single : A2071 THR OG1 : rot 180:sc= -0.301 USER MOD Single : A2073 THR OG1 : rot 74:sc= 0.969 USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2082 SER OG : rot -46:sc= 0.442 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot 180:sc= 0 USER MOD Single : A2090 LYS NZ :NH3+ 159:sc= 0.643 (180deg=0.426) USER MOD Single : A2096 SER OG : rot 180:sc= 0.0261 USER MOD Single : A2098 THR OG1 : rot 180:sc= 0.631 USER MOD Single : A2104 ASN : amide:sc= -2.26! C(o=-2.3!,f=-4!) USER MOD Single : A2105 THR OG1 : rot 74:sc= 0.197 USER MOD Single : A2107 THR OG1 : rot -64:sc= 0.631 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= 0.805 K(o=0.81,f=0) USER MOD Single : A2110 THR OG1 : rot -87:sc= 1.23 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.395 USER MOD Single : A2122 HIS : no HD1:sc= -0.327 K(o=-0.33,f=-1.1) USER MOD Single : A2124 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2129 THR OG1 : rot 86:sc= 0.153 USER MOD Single : A2130 GLN : amide:sc= -0.757 K(o=-0.76,f=-3.4!) USER MOD Single : A2131 HIS : no HE2:sc= -0.254 X(o=-0.25,f=-0.029) USER MOD Single : A2134 THR OG1 : rot 69:sc= 1.02 USER MOD Single : A2137 THR OG1 : rot -104:sc= 1.17 USER MOD Single : A2138 GLN :FLIP amide:sc= -0.0317 F(o=-0.89,f=-0.032) USER MOD Single : A2139 SER OG : rot 53:sc= 0.0503 USER MOD Single : A2140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A2046 -12.187 -0.409 -11.179 1.00 6.15 N ATOM 2 CA GLY A2046 -12.870 0.656 -11.957 1.00 5.60 C ATOM 3 C GLY A2046 -12.561 2.039 -11.425 1.00 5.08 C ATOM 4 O GLY A2046 -13.229 2.511 -10.500 1.00 5.26 O ATOM 0 HA2 GLY A2046 -12.564 0.594 -13.001 1.00 5.60 H new ATOM 0 HA3 GLY A2046 -13.947 0.490 -11.929 1.00 5.60 H new ATOM 10 N SER A2047 -11.540 2.679 -12.005 1.00 4.85 N ATOM 11 CA SER A2047 -11.102 4.023 -11.609 1.00 4.75 C ATOM 12 C SER A2047 -10.455 4.016 -10.221 1.00 3.83 C ATOM 13 O SER A2047 -9.275 4.338 -10.074 1.00 4.09 O ATOM 14 CB SER A2047 -12.274 5.012 -11.650 1.00 5.58 C ATOM 15 OG SER A2047 -12.845 5.069 -12.949 1.00 6.22 O ATOM 0 H SER A2047 -10.991 2.278 -12.766 1.00 4.85 H new ATOM 0 HA SER A2047 -10.349 4.347 -12.327 1.00 4.75 H new ATOM 0 HB2 SER A2047 -13.033 4.712 -10.928 1.00 5.58 H new ATOM 0 HB3 SER A2047 -11.929 6.003 -11.357 1.00 5.58 H new ATOM 0 HG SER A2047 -13.591 5.704 -12.951 1.00 6.22 H new ATOM 21 N HIS A2048 -11.228 3.645 -9.214 1.00 3.01 N ATOM 22 CA HIS A2048 -10.731 3.564 -7.850 1.00 2.15 C ATOM 23 C HIS A2048 -10.686 2.111 -7.406 1.00 1.40 C ATOM 24 O HIS A2048 -11.064 1.209 -8.151 1.00 1.44 O ATOM 25 CB HIS A2048 -11.621 4.359 -6.885 1.00 2.19 C ATOM 26 CG HIS A2048 -11.736 5.821 -7.201 1.00 2.49 C ATOM 27 ND1 HIS A2048 -12.928 6.509 -7.137 1.00 3.16 N ATOM 28 CD2 HIS A2048 -10.802 6.729 -7.564 1.00 2.35 C ATOM 29 CE1 HIS A2048 -12.722 7.775 -7.449 1.00 3.33 C ATOM 30 NE2 HIS A2048 -11.440 7.934 -7.711 1.00 2.84 N ATOM 0 H HIS A2048 -12.211 3.393 -9.317 1.00 3.01 H new ATOM 0 HA HIS A2048 -9.729 3.993 -7.831 1.00 2.15 H new ATOM 0 HB2 HIS A2048 -12.619 3.921 -6.888 1.00 2.19 H new ATOM 0 HB3 HIS A2048 -11.227 4.249 -5.875 1.00 2.19 H new ATOM 0 HD2 HIS A2048 -9.749 6.540 -7.711 1.00 2.35 H new ATOM 0 HE1 HIS A2048 -13.475 8.548 -7.484 1.00 3.33 H new ATOM 0 HE2 HIS A2048 -10.995 8.811 -7.980 1.00 2.84 H new ATOM 39 N MET A2049 -10.246 1.906 -6.179 1.00 1.08 N ATOM 40 CA MET A2049 -10.127 0.580 -5.582 1.00 0.80 C ATOM 41 C MET A2049 -11.449 0.137 -4.955 1.00 1.56 C ATOM 42 O MET A2049 -11.464 -0.371 -3.840 1.00 2.18 O ATOM 43 CB MET A2049 -8.982 0.535 -4.581 1.00 0.83 C ATOM 44 CG MET A2049 -8.360 -0.844 -4.455 1.00 1.02 C ATOM 45 SD MET A2049 -6.669 -0.801 -3.845 1.00 1.09 S ATOM 46 CE MET A2049 -6.233 -2.531 -4.005 1.00 0.85 C ATOM 0 H MET A2049 -9.957 2.661 -5.558 1.00 1.08 H new ATOM 0 HA MET A2049 -9.894 -0.130 -6.376 1.00 0.80 H new ATOM 0 HB2 MET A2049 -8.215 1.248 -4.883 1.00 0.83 H new ATOM 0 HB3 MET A2049 -9.347 0.854 -3.605 1.00 0.83 H new ATOM 0 HG2 MET A2049 -8.967 -1.450 -3.783 1.00 1.02 H new ATOM 0 HG3 MET A2049 -8.377 -1.334 -5.429 1.00 1.02 H new ATOM 0 HE1 MET A2049 -5.707 -2.858 -3.108 1.00 0.85 H new ATOM 0 HE2 MET A2049 -7.139 -3.124 -4.131 1.00 0.85 H new ATOM 0 HE3 MET A2049 -5.588 -2.665 -4.873 1.00 0.85 H new ATOM 56 N ARG A2050 -12.537 0.508 -5.646 1.00 2.19 N ATOM 57 CA ARG A2050 -13.964 0.190 -5.342 1.00 3.02 C ATOM 58 C ARG A2050 -14.283 -1.206 -4.739 1.00 2.45 C ATOM 59 O ARG A2050 -15.443 -1.601 -4.778 1.00 3.04 O ATOM 60 CB ARG A2050 -14.791 0.364 -6.611 1.00 4.17 C ATOM 61 CG ARG A2050 -14.725 1.759 -7.186 1.00 5.10 C ATOM 62 CD ARG A2050 -16.112 2.273 -7.507 1.00 6.03 C ATOM 63 NE ARG A2050 -16.078 3.589 -8.143 1.00 7.06 N ATOM 64 CZ ARG A2050 -16.324 3.799 -9.437 1.00 8.09 C ATOM 65 NH1 ARG A2050 -16.584 2.775 -10.244 1.00 8.33 N ATOM 66 NH2 ARG A2050 -16.306 5.034 -9.927 1.00 9.04 N ATOM 0 H ARG A2050 -12.452 1.076 -6.489 1.00 2.19 H new ATOM 0 HA ARG A2050 -14.219 0.891 -4.547 1.00 3.02 H new ATOM 0 HB2 ARG A2050 -14.444 -0.347 -7.361 1.00 4.17 H new ATOM 0 HB3 ARG A2050 -15.830 0.117 -6.395 1.00 4.17 H new ATOM 0 HG2 ARG A2050 -14.240 2.428 -6.475 1.00 5.10 H new ATOM 0 HG3 ARG A2050 -14.115 1.757 -8.089 1.00 5.10 H new ATOM 0 HD2 ARG A2050 -16.617 1.566 -8.165 1.00 6.03 H new ATOM 0 HD3 ARG A2050 -16.698 2.329 -6.590 1.00 6.03 H new ATOM 0 HE ARG A2050 -15.852 4.396 -7.561 1.00 7.06 H new ATOM 0 HH11 ARG A2050 -16.596 1.824 -9.874 1.00 8.33 H new ATOM 0 HH12 ARG A2050 -16.772 2.940 -11.233 1.00 8.33 H new ATOM 0 HH21 ARG A2050 -16.104 5.823 -9.313 1.00 9.04 H new ATOM 0 HH22 ARG A2050 -16.494 5.193 -10.917 1.00 9.04 H new ATOM 80 N LEU A2051 -13.255 -1.956 -4.341 1.00 1.40 N ATOM 81 CA LEU A2051 -13.300 -3.277 -3.654 1.00 1.14 C ATOM 82 C LEU A2051 -14.397 -3.459 -2.558 1.00 1.01 C ATOM 83 O LEU A2051 -14.139 -4.035 -1.499 1.00 1.07 O ATOM 84 CB LEU A2051 -11.914 -3.470 -3.017 1.00 1.24 C ATOM 85 CG LEU A2051 -11.649 -4.802 -2.317 1.00 1.66 C ATOM 86 CD1 LEU A2051 -11.475 -5.922 -3.331 1.00 2.23 C ATOM 87 CD2 LEU A2051 -10.427 -4.678 -1.423 1.00 2.25 C ATOM 0 H LEU A2051 -12.295 -1.648 -4.494 1.00 1.40 H new ATOM 0 HA LEU A2051 -13.564 -4.019 -4.408 1.00 1.14 H new ATOM 0 HB2 LEU A2051 -11.163 -3.342 -3.796 1.00 1.24 H new ATOM 0 HB3 LEU A2051 -11.761 -2.671 -2.292 1.00 1.24 H new ATOM 0 HG LEU A2051 -12.510 -5.053 -1.697 1.00 1.66 H new ATOM 0 HD11 LEU A2051 -11.287 -6.860 -2.808 1.00 2.23 H new ATOM 0 HD12 LEU A2051 -12.381 -6.015 -3.930 1.00 2.23 H new ATOM 0 HD13 LEU A2051 -10.631 -5.695 -3.983 1.00 2.23 H new ATOM 0 HD21 LEU A2051 -10.242 -5.630 -0.926 1.00 2.25 H new ATOM 0 HD22 LEU A2051 -9.560 -4.409 -2.027 1.00 2.25 H new ATOM 0 HD23 LEU A2051 -10.601 -3.905 -0.674 1.00 2.25 H new ATOM 99 N ASN A2052 -15.602 -2.988 -2.791 1.00 1.58 N ATOM 100 CA ASN A2052 -16.701 -3.190 -1.857 1.00 1.99 C ATOM 101 C ASN A2052 -17.264 -4.594 -2.020 1.00 1.93 C ATOM 102 O ASN A2052 -17.178 -5.183 -3.099 1.00 2.08 O ATOM 103 CB ASN A2052 -17.814 -2.164 -2.093 1.00 2.83 C ATOM 104 CG ASN A2052 -17.364 -0.734 -1.864 1.00 3.47 C ATOM 105 OD1 ASN A2052 -16.474 -0.467 -1.057 1.00 3.92 O ATOM 106 ND2 ASN A2052 -17.990 0.199 -2.565 1.00 4.07 N ATOM 0 H ASN A2052 -15.853 -2.457 -3.625 1.00 1.58 H new ATOM 0 HA ASN A2052 -16.318 -3.062 -0.845 1.00 1.99 H new ATOM 0 HB2 ASN A2052 -18.181 -2.264 -3.114 1.00 2.83 H new ATOM 0 HB3 ASN A2052 -18.651 -2.386 -1.430 1.00 2.83 H new ATOM 0 HD21 ASN A2052 -17.740 1.181 -2.446 1.00 4.07 H new ATOM 0 HD22 ASN A2052 -18.723 -0.064 -3.224 1.00 4.07 H new ATOM 113 N GLY A2053 -17.834 -5.132 -0.956 1.00 1.86 N ATOM 114 CA GLY A2053 -18.396 -6.466 -1.014 1.00 1.88 C ATOM 115 C GLY A2053 -17.574 -7.469 -0.237 1.00 1.57 C ATOM 116 O GLY A2053 -18.106 -8.450 0.285 1.00 1.67 O ATOM 0 H GLY A2053 -17.919 -4.670 -0.051 1.00 1.86 H new ATOM 0 HA2 GLY A2053 -19.412 -6.448 -0.618 1.00 1.88 H new ATOM 0 HA3 GLY A2053 -18.465 -6.784 -2.054 1.00 1.88 H new ATOM 120 N LEU A2054 -16.273 -7.230 -0.166 1.00 1.24 N ATOM 121 CA LEU A2054 -15.385 -8.072 0.618 1.00 1.05 C ATOM 122 C LEU A2054 -15.380 -7.612 2.065 1.00 0.93 C ATOM 123 O LEU A2054 -15.501 -6.419 2.344 1.00 0.98 O ATOM 124 CB LEU A2054 -13.951 -8.035 0.073 1.00 0.96 C ATOM 125 CG LEU A2054 -13.720 -8.711 -1.283 1.00 1.10 C ATOM 126 CD1 LEU A2054 -14.254 -10.131 -1.265 1.00 1.60 C ATOM 127 CD2 LEU A2054 -14.350 -7.912 -2.412 1.00 1.50 C ATOM 0 H LEU A2054 -15.809 -6.457 -0.644 1.00 1.24 H new ATOM 0 HA LEU A2054 -15.754 -9.096 0.552 1.00 1.05 H new ATOM 0 HB2 LEU A2054 -13.643 -6.993 -0.008 1.00 0.96 H new ATOM 0 HB3 LEU A2054 -13.295 -8.505 0.805 1.00 0.96 H new ATOM 0 HG LEU A2054 -12.646 -8.747 -1.463 1.00 1.10 H new ATOM 0 HD11 LEU A2054 -14.082 -10.597 -2.235 1.00 1.60 H new ATOM 0 HD12 LEU A2054 -13.741 -10.703 -0.492 1.00 1.60 H new ATOM 0 HD13 LEU A2054 -15.323 -10.115 -1.055 1.00 1.60 H new ATOM 0 HD21 LEU A2054 -14.169 -8.417 -3.361 1.00 1.50 H new ATOM 0 HD22 LEU A2054 -15.424 -7.829 -2.244 1.00 1.50 H new ATOM 0 HD23 LEU A2054 -13.910 -6.915 -2.442 1.00 1.50 H new ATOM 139 N SER A2055 -15.258 -8.562 2.973 1.00 0.85 N ATOM 140 CA SER A2055 -15.142 -8.257 4.387 1.00 0.80 C ATOM 141 C SER A2055 -13.859 -7.492 4.656 1.00 0.67 C ATOM 142 O SER A2055 -12.873 -7.665 3.940 1.00 0.61 O ATOM 143 CB SER A2055 -15.162 -9.545 5.205 1.00 0.83 C ATOM 144 OG SER A2055 -16.345 -10.284 4.957 1.00 1.18 O ATOM 0 H SER A2055 -15.237 -9.558 2.754 1.00 0.85 H new ATOM 0 HA SER A2055 -15.989 -7.637 4.681 1.00 0.80 H new ATOM 0 HB2 SER A2055 -14.291 -10.152 4.957 1.00 0.83 H new ATOM 0 HB3 SER A2055 -15.093 -9.307 6.267 1.00 0.83 H new ATOM 0 HG SER A2055 -16.335 -11.106 5.491 1.00 1.18 H new ATOM 150 N PRO A2056 -13.880 -6.622 5.668 1.00 0.67 N ATOM 151 CA PRO A2056 -12.742 -5.789 6.054 1.00 0.61 C ATOM 152 C PRO A2056 -11.396 -6.504 5.940 1.00 0.54 C ATOM 153 O PRO A2056 -10.488 -6.011 5.274 1.00 0.50 O ATOM 154 CB PRO A2056 -13.063 -5.458 7.501 1.00 0.71 C ATOM 155 CG PRO A2056 -14.550 -5.374 7.530 1.00 0.86 C ATOM 156 CD PRO A2056 -15.054 -6.357 6.514 1.00 0.81 C ATOM 0 HA PRO A2056 -12.627 -4.922 5.404 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -12.693 -6.228 8.178 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -12.604 -4.518 7.807 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -14.932 -5.612 8.523 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -14.886 -4.365 7.293 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -15.420 -7.268 6.987 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -15.880 -5.945 5.934 1.00 0.81 H new ATOM 164 N GLN A2057 -11.287 -7.679 6.557 1.00 0.58 N ATOM 165 CA GLN A2057 -10.048 -8.448 6.546 1.00 0.60 C ATOM 166 C GLN A2057 -9.655 -8.859 5.128 1.00 0.57 C ATOM 167 O GLN A2057 -8.480 -8.796 4.761 1.00 0.57 O ATOM 168 CB GLN A2057 -10.189 -9.693 7.416 1.00 0.71 C ATOM 169 CG GLN A2057 -8.917 -10.512 7.499 1.00 0.83 C ATOM 170 CD GLN A2057 -9.096 -11.804 8.268 1.00 1.19 C ATOM 171 OE1 GLN A2057 -10.181 -12.383 8.292 1.00 1.63 O ATOM 172 NE2 GLN A2057 -8.029 -12.272 8.889 1.00 1.95 N ATOM 0 H GLN A2057 -12.048 -8.120 7.073 1.00 0.58 H new ATOM 0 HA GLN A2057 -9.262 -7.808 6.948 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -10.487 -9.394 8.421 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -10.990 -10.317 7.019 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -8.572 -10.740 6.491 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -8.138 -9.917 7.975 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -7.148 -11.761 8.844 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -8.086 -13.145 9.414 1.00 1.95 H new ATOM 181 N GLN A2058 -10.638 -9.280 4.339 1.00 0.59 N ATOM 182 CA GLN A2058 -10.393 -9.652 2.951 1.00 0.64 C ATOM 183 C GLN A2058 -9.855 -8.453 2.191 1.00 0.57 C ATOM 184 O GLN A2058 -8.908 -8.562 1.409 1.00 0.59 O ATOM 185 CB GLN A2058 -11.675 -10.152 2.280 1.00 0.75 C ATOM 186 CG GLN A2058 -12.254 -11.406 2.910 1.00 0.83 C ATOM 187 CD GLN A2058 -11.269 -12.559 2.927 1.00 0.99 C ATOM 188 OE1 GLN A2058 -11.191 -13.337 1.980 1.00 1.44 O ATOM 189 NE2 GLN A2058 -10.525 -12.686 4.013 1.00 1.60 N ATOM 0 H GLN A2058 -11.609 -9.372 4.636 1.00 0.59 H new ATOM 0 HA GLN A2058 -9.661 -10.460 2.936 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -12.424 -9.361 2.316 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -11.469 -10.348 1.228 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -12.566 -11.184 3.931 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -13.147 -11.704 2.361 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -10.621 -12.018 4.778 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -9.856 -13.452 4.086 1.00 1.60 H new ATOM 198 N GLN A2059 -10.460 -7.302 2.449 1.00 0.54 N ATOM 199 CA GLN A2059 -10.018 -6.059 1.849 1.00 0.52 C ATOM 200 C GLN A2059 -8.606 -5.718 2.299 1.00 0.47 C ATOM 201 O GLN A2059 -7.798 -5.237 1.506 1.00 0.49 O ATOM 202 CB GLN A2059 -10.967 -4.919 2.206 1.00 0.57 C ATOM 203 CG GLN A2059 -12.343 -5.049 1.595 1.00 0.72 C ATOM 204 CD GLN A2059 -13.267 -3.952 2.063 1.00 1.02 C ATOM 205 OE1 GLN A2059 -13.173 -3.489 3.202 1.00 1.50 O ATOM 206 NE2 GLN A2059 -14.130 -3.501 1.181 1.00 1.19 N ATOM 0 H GLN A2059 -11.261 -7.207 3.073 1.00 0.54 H new ATOM 0 HA GLN A2059 -10.020 -6.189 0.767 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -11.066 -4.869 3.290 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -10.525 -3.977 1.882 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.263 -5.019 0.508 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -12.767 -6.018 1.856 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -14.172 -3.916 0.250 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -14.758 -2.736 1.427 1.00 1.19 H new ATOM 215 N GLN A2060 -8.309 -5.973 3.571 1.00 0.44 N ATOM 216 CA GLN A2060 -6.973 -5.733 4.096 1.00 0.42 C ATOM 217 C GLN A2060 -5.955 -6.528 3.314 1.00 0.39 C ATOM 218 O GLN A2060 -5.084 -5.957 2.692 1.00 0.37 O ATOM 219 CB GLN A2060 -6.863 -6.100 5.576 1.00 0.45 C ATOM 220 CG GLN A2060 -7.843 -5.370 6.464 1.00 0.50 C ATOM 221 CD GLN A2060 -7.686 -5.737 7.927 1.00 0.60 C ATOM 222 OE1 GLN A2060 -8.309 -6.679 8.416 1.00 0.78 O ATOM 223 NE2 GLN A2060 -6.862 -4.989 8.642 1.00 0.95 N ATOM 0 H GLN A2060 -8.973 -6.343 4.251 1.00 0.44 H new ATOM 0 HA GLN A2060 -6.776 -4.666 3.994 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.018 -7.173 5.686 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -5.850 -5.888 5.918 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -7.705 -4.295 6.346 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -8.859 -5.598 6.143 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -6.363 -4.216 8.202 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -6.726 -5.185 9.634 1.00 0.95 H new ATOM 232 N GLN A2061 -6.095 -7.845 3.335 1.00 0.41 N ATOM 233 CA GLN A2061 -5.186 -8.738 2.618 1.00 0.42 C ATOM 234 C GLN A2061 -5.023 -8.331 1.159 1.00 0.43 C ATOM 235 O GLN A2061 -3.955 -8.487 0.573 1.00 0.41 O ATOM 236 CB GLN A2061 -5.707 -10.152 2.697 1.00 0.51 C ATOM 237 CG GLN A2061 -5.690 -10.700 4.105 1.00 0.56 C ATOM 238 CD GLN A2061 -6.416 -12.022 4.230 1.00 0.67 C ATOM 239 OE1 GLN A2061 -6.486 -12.800 3.278 1.00 1.03 O ATOM 240 NE2 GLN A2061 -6.949 -12.294 5.407 1.00 1.32 N ATOM 0 H GLN A2061 -6.836 -8.326 3.845 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.206 -8.671 3.091 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -6.726 -10.182 2.312 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -5.104 -10.794 2.054 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -4.657 -10.827 4.428 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.148 -9.975 4.778 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -6.869 -11.622 6.171 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -7.441 -13.176 5.553 1.00 1.32 H new ATOM 249 N THR A2062 -6.097 -7.828 0.586 1.00 0.49 N ATOM 250 CA THR A2062 -6.070 -7.265 -0.756 1.00 0.55 C ATOM 251 C THR A2062 -5.043 -6.135 -0.864 1.00 0.49 C ATOM 252 O THR A2062 -4.182 -6.140 -1.742 1.00 0.48 O ATOM 253 CB THR A2062 -7.450 -6.712 -1.137 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.430 -7.762 -1.101 1.00 0.73 O ATOM 255 CG2 THR A2062 -7.410 -6.085 -2.522 1.00 0.77 C ATOM 0 H THR A2062 -7.013 -7.796 1.033 1.00 0.49 H new ATOM 0 HA THR A2062 -5.791 -8.069 -1.437 1.00 0.55 H new ATOM 0 HB THR A2062 -7.726 -5.943 -0.415 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.653 -7.969 -0.170 1.00 0.73 H new ATOM 0 HG21 THR A2062 -8.397 -5.698 -2.775 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.687 -5.269 -2.531 1.00 0.77 H new ATOM 0 HG23 THR A2062 -7.117 -6.838 -3.254 1.00 0.77 H new ATOM 263 N LEU A2063 -5.133 -5.184 0.054 1.00 0.50 N ATOM 264 CA LEU A2063 -4.264 -4.020 0.071 1.00 0.53 C ATOM 265 C LEU A2063 -2.920 -4.407 0.648 1.00 0.44 C ATOM 266 O LEU A2063 -1.904 -3.769 0.401 1.00 0.47 O ATOM 267 CB LEU A2063 -4.915 -2.947 0.927 1.00 0.69 C ATOM 268 CG LEU A2063 -6.286 -2.501 0.434 1.00 0.64 C ATOM 269 CD1 LEU A2063 -7.153 -2.076 1.596 1.00 1.32 C ATOM 270 CD2 LEU A2063 -6.150 -1.366 -0.563 1.00 1.22 C ATOM 0 H LEU A2063 -5.816 -5.200 0.812 1.00 0.50 H new ATOM 0 HA LEU A2063 -4.114 -3.640 -0.940 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -5.012 -3.320 1.946 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -4.256 -2.080 0.966 1.00 0.69 H new ATOM 0 HG LEU A2063 -6.762 -3.345 -0.065 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -8.128 -1.761 1.226 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -7.279 -2.914 2.282 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -6.678 -1.246 2.120 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -7.139 -1.061 -0.904 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -5.654 -0.521 -0.086 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -5.559 -1.700 -1.416 1.00 1.22 H new ATOM 282 N ALA A2064 -2.949 -5.485 1.401 1.00 0.39 N ATOM 283 CA ALA A2064 -1.768 -6.060 1.998 1.00 0.38 C ATOM 284 C ALA A2064 -0.887 -6.598 0.890 1.00 0.37 C ATOM 285 O ALA A2064 0.302 -6.302 0.804 1.00 0.51 O ATOM 286 CB ALA A2064 -2.180 -7.170 2.957 1.00 0.38 C ATOM 0 H ALA A2064 -3.807 -5.992 1.618 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.213 -5.310 2.562 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.291 -7.608 3.411 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -2.820 -6.758 3.737 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -2.725 -7.940 2.410 1.00 0.38 H new ATOM 292 N THR A2065 -1.526 -7.367 0.024 1.00 0.28 N ATOM 293 CA THR A2065 -0.914 -7.894 -1.178 1.00 0.28 C ATOM 294 C THR A2065 -0.585 -6.760 -2.151 1.00 0.27 C ATOM 295 O THR A2065 0.430 -6.794 -2.845 1.00 0.25 O ATOM 296 CB THR A2065 -1.877 -8.893 -1.843 1.00 0.36 C ATOM 297 OG1 THR A2065 -2.171 -9.961 -0.932 1.00 0.40 O ATOM 298 CG2 THR A2065 -1.297 -9.459 -3.132 1.00 0.41 C ATOM 0 H THR A2065 -2.500 -7.645 0.141 1.00 0.28 H new ATOM 0 HA THR A2065 0.014 -8.401 -0.913 1.00 0.28 H new ATOM 0 HB THR A2065 -2.793 -8.359 -2.095 1.00 0.36 H new ATOM 0 HG1 THR A2065 -2.820 -9.653 -0.266 1.00 0.40 H new ATOM 0 HG21 THR A2065 -2.006 -10.160 -3.573 1.00 0.41 H new ATOM 0 HG22 THR A2065 -1.107 -8.646 -3.833 1.00 0.41 H new ATOM 0 HG23 THR A2065 -0.362 -9.976 -2.914 1.00 0.41 H new ATOM 306 N LEU A2066 -1.450 -5.751 -2.171 1.00 0.29 N ATOM 307 CA LEU A2066 -1.268 -4.576 -3.003 1.00 0.28 C ATOM 308 C LEU A2066 0.034 -3.886 -2.665 1.00 0.23 C ATOM 309 O LEU A2066 0.933 -3.768 -3.496 1.00 0.22 O ATOM 310 CB LEU A2066 -2.410 -3.604 -2.762 1.00 0.32 C ATOM 311 CG LEU A2066 -2.152 -2.217 -3.303 1.00 0.57 C ATOM 312 CD1 LEU A2066 -2.290 -2.202 -4.806 1.00 0.92 C ATOM 313 CD2 LEU A2066 -3.049 -1.184 -2.647 1.00 1.35 C ATOM 0 H LEU A2066 -2.299 -5.729 -1.607 1.00 0.29 H new ATOM 0 HA LEU A2066 -1.250 -4.889 -4.047 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -3.316 -4.001 -3.221 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -2.598 -3.537 -1.690 1.00 0.32 H new ATOM 0 HG LEU A2066 -1.126 -1.944 -3.056 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -2.101 -1.195 -5.179 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -1.570 -2.893 -5.244 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -3.299 -2.507 -5.082 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -2.834 -0.199 -3.062 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -4.093 -1.437 -2.834 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -2.866 -1.173 -1.573 1.00 1.35 H new ATOM 325 N VAL A2067 0.096 -3.424 -1.432 1.00 0.21 N ATOM 326 CA VAL A2067 1.261 -2.748 -0.903 1.00 0.18 C ATOM 327 C VAL A2067 2.513 -3.597 -1.086 1.00 0.16 C ATOM 328 O VAL A2067 3.580 -3.103 -1.458 1.00 0.17 O ATOM 329 CB VAL A2067 1.066 -2.438 0.594 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.361 -1.973 1.227 1.00 0.20 C ATOM 331 CG2 VAL A2067 -0.027 -1.395 0.791 1.00 0.22 C ATOM 0 H VAL A2067 -0.670 -3.509 -0.763 1.00 0.21 H new ATOM 0 HA VAL A2067 1.386 -1.815 -1.453 1.00 0.18 H new ATOM 0 HB VAL A2067 0.758 -3.359 1.088 1.00 0.19 H new ATOM 0 HG11 VAL A2067 2.194 -1.761 2.283 1.00 0.20 H new ATOM 0 HG12 VAL A2067 3.115 -2.754 1.128 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.707 -1.069 0.726 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.148 -1.191 1.855 1.00 0.22 H new ATOM 0 HG22 VAL A2067 0.250 -0.476 0.275 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -0.966 -1.771 0.384 1.00 0.22 H new ATOM 341 N ALA A2068 2.358 -4.879 -0.831 1.00 0.15 N ATOM 342 CA ALA A2068 3.441 -5.827 -0.946 1.00 0.15 C ATOM 343 C ALA A2068 3.955 -5.915 -2.382 1.00 0.14 C ATOM 344 O ALA A2068 5.153 -5.789 -2.623 1.00 0.13 O ATOM 345 CB ALA A2068 2.958 -7.170 -0.440 1.00 0.17 C ATOM 0 H ALA A2068 1.473 -5.292 -0.537 1.00 0.15 H new ATOM 0 HA ALA A2068 4.284 -5.496 -0.340 1.00 0.15 H new ATOM 0 HB1 ALA A2068 3.764 -7.900 -0.519 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.653 -7.078 0.602 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.109 -7.500 -1.038 1.00 0.17 H new ATOM 351 N ALA A2069 3.045 -6.113 -3.330 1.00 0.17 N ATOM 352 CA ALA A2069 3.391 -6.139 -4.747 1.00 0.18 C ATOM 353 C ALA A2069 3.989 -4.806 -5.185 1.00 0.19 C ATOM 354 O ALA A2069 4.808 -4.746 -6.107 1.00 0.21 O ATOM 355 CB ALA A2069 2.163 -6.460 -5.586 1.00 0.23 C ATOM 0 H ALA A2069 2.054 -6.259 -3.140 1.00 0.17 H new ATOM 0 HA ALA A2069 4.138 -6.918 -4.899 1.00 0.18 H new ATOM 0 HB1 ALA A2069 2.437 -6.476 -6.641 1.00 0.23 H new ATOM 0 HB2 ALA A2069 1.771 -7.435 -5.298 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.400 -5.699 -5.421 1.00 0.23 H new ATOM 361 N ALA A2070 3.591 -3.742 -4.499 1.00 0.19 N ATOM 362 CA ALA A2070 4.051 -2.411 -4.822 1.00 0.21 C ATOM 363 C ALA A2070 5.525 -2.269 -4.500 1.00 0.20 C ATOM 364 O ALA A2070 6.298 -1.746 -5.303 1.00 0.23 O ATOM 365 CB ALA A2070 3.237 -1.370 -4.069 1.00 0.24 C ATOM 0 H ALA A2070 2.945 -3.783 -3.710 1.00 0.19 H new ATOM 0 HA ALA A2070 3.914 -2.247 -5.891 1.00 0.21 H new ATOM 0 HB1 ALA A2070 3.597 -0.373 -4.324 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.187 -1.459 -4.347 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.344 -1.531 -2.996 1.00 0.24 H new ATOM 371 N THR A2071 5.931 -2.764 -3.336 1.00 0.18 N ATOM 372 CA THR A2071 7.311 -2.610 -2.927 1.00 0.21 C ATOM 373 C THR A2071 8.139 -3.760 -3.465 1.00 0.21 C ATOM 374 O THR A2071 9.339 -3.639 -3.660 1.00 0.27 O ATOM 375 CB THR A2071 7.460 -2.442 -1.404 1.00 0.22 C ATOM 376 OG1 THR A2071 8.807 -2.121 -1.066 1.00 0.28 O ATOM 377 CG2 THR A2071 7.038 -3.683 -0.657 1.00 0.23 C ATOM 0 H THR A2071 5.335 -3.264 -2.676 1.00 0.18 H new ATOM 0 HA THR A2071 7.691 -1.684 -3.358 1.00 0.21 H new ATOM 0 HB THR A2071 6.803 -1.625 -1.107 1.00 0.22 H new ATOM 0 HG1 THR A2071 8.884 -2.016 -0.095 1.00 0.28 H new ATOM 0 HG21 THR A2071 7.159 -3.522 0.414 1.00 0.23 H new ATOM 0 HG22 THR A2071 5.993 -3.901 -0.875 1.00 0.23 H new ATOM 0 HG23 THR A2071 7.657 -4.524 -0.969 1.00 0.23 H new ATOM 385 N ALA A2072 7.479 -4.865 -3.754 1.00 0.18 N ATOM 386 CA ALA A2072 8.077 -5.916 -4.554 1.00 0.22 C ATOM 387 C ALA A2072 8.623 -5.302 -5.835 1.00 0.26 C ATOM 388 O ALA A2072 9.753 -5.574 -6.241 1.00 0.31 O ATOM 389 CB ALA A2072 7.026 -6.963 -4.870 1.00 0.22 C ATOM 0 H ALA A2072 6.526 -5.058 -3.446 1.00 0.18 H new ATOM 0 HA ALA A2072 8.892 -6.394 -4.010 1.00 0.22 H new ATOM 0 HB1 ALA A2072 7.471 -7.755 -5.472 1.00 0.22 H new ATOM 0 HB2 ALA A2072 6.642 -7.385 -3.941 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.209 -6.502 -5.425 1.00 0.22 H new ATOM 395 N THR A2073 7.819 -4.442 -6.438 1.00 0.27 N ATOM 396 CA THR A2073 8.222 -3.694 -7.612 1.00 0.34 C ATOM 397 C THR A2073 9.275 -2.640 -7.250 1.00 0.37 C ATOM 398 O THR A2073 10.345 -2.583 -7.854 1.00 0.43 O ATOM 399 CB THR A2073 7.001 -2.997 -8.240 1.00 0.38 C ATOM 400 OG1 THR A2073 5.990 -3.966 -8.558 1.00 0.40 O ATOM 401 CG2 THR A2073 7.397 -2.234 -9.488 1.00 0.46 C ATOM 0 H THR A2073 6.868 -4.244 -6.125 1.00 0.27 H new ATOM 0 HA THR A2073 8.653 -4.394 -8.328 1.00 0.34 H new ATOM 0 HB THR A2073 6.603 -2.287 -7.515 1.00 0.38 H new ATOM 0 HG1 THR A2073 5.554 -4.266 -7.733 1.00 0.40 H new ATOM 0 HG21 THR A2073 6.518 -1.750 -9.913 1.00 0.46 H new ATOM 0 HG22 THR A2073 8.139 -1.478 -9.232 1.00 0.46 H new ATOM 0 HG23 THR A2073 7.820 -2.924 -10.218 1.00 0.46 H new ATOM 409 N VAL A2074 8.958 -1.830 -6.246 1.00 0.36 N ATOM 410 CA VAL A2074 9.783 -0.712 -5.832 1.00 0.41 C ATOM 411 C VAL A2074 11.211 -1.124 -5.419 1.00 0.47 C ATOM 412 O VAL A2074 12.172 -0.442 -5.776 1.00 0.56 O ATOM 413 CB VAL A2074 9.044 0.041 -4.708 1.00 0.38 C ATOM 414 CG1 VAL A2074 9.870 0.197 -3.448 1.00 0.38 C ATOM 415 CG2 VAL A2074 8.538 1.377 -5.205 1.00 0.37 C ATOM 0 H VAL A2074 8.108 -1.937 -5.692 1.00 0.36 H new ATOM 0 HA VAL A2074 9.930 -0.052 -6.687 1.00 0.41 H new ATOM 0 HB VAL A2074 8.190 -0.575 -4.428 1.00 0.38 H new ATOM 0 HG11 VAL A2074 9.291 0.735 -2.698 1.00 0.38 H new ATOM 0 HG12 VAL A2074 10.136 -0.787 -3.063 1.00 0.38 H new ATOM 0 HG13 VAL A2074 10.778 0.756 -3.675 1.00 0.38 H new ATOM 0 HG21 VAL A2074 8.019 1.893 -4.397 1.00 0.37 H new ATOM 0 HG22 VAL A2074 9.380 1.983 -5.541 1.00 0.37 H new ATOM 0 HG23 VAL A2074 7.850 1.219 -6.035 1.00 0.37 H new ATOM 425 N LEU A2075 11.360 -2.229 -4.683 1.00 0.43 N ATOM 426 CA LEU A2075 12.684 -2.697 -4.285 1.00 0.52 C ATOM 427 C LEU A2075 13.321 -3.500 -5.415 1.00 0.60 C ATOM 428 O LEU A2075 14.532 -3.713 -5.443 1.00 0.74 O ATOM 429 CB LEU A2075 12.593 -3.569 -3.032 1.00 0.49 C ATOM 430 CG LEU A2075 11.531 -3.145 -2.016 1.00 0.44 C ATOM 431 CD1 LEU A2075 11.342 -4.217 -0.961 1.00 0.46 C ATOM 432 CD2 LEU A2075 11.886 -1.820 -1.369 1.00 0.52 C ATOM 0 H LEU A2075 10.587 -2.809 -4.355 1.00 0.43 H new ATOM 0 HA LEU A2075 13.301 -1.825 -4.067 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.390 -4.595 -3.338 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.565 -3.569 -2.538 1.00 0.49 H new ATOM 0 HG LEU A2075 10.591 -3.015 -2.552 1.00 0.44 H new ATOM 0 HD11 LEU A2075 10.583 -3.896 -0.248 1.00 0.46 H new ATOM 0 HD12 LEU A2075 11.024 -5.144 -1.437 1.00 0.46 H new ATOM 0 HD13 LEU A2075 12.284 -4.383 -0.438 1.00 0.46 H new ATOM 0 HD21 LEU A2075 11.112 -1.546 -0.652 1.00 0.52 H new ATOM 0 HD22 LEU A2075 12.842 -1.911 -0.853 1.00 0.52 H new ATOM 0 HD23 LEU A2075 11.960 -1.049 -2.136 1.00 0.52 H new ATOM 444 N GLY A2076 12.481 -3.959 -6.336 1.00 0.57 N ATOM 445 CA GLY A2076 12.964 -4.672 -7.503 1.00 0.67 C ATOM 446 C GLY A2076 13.116 -6.163 -7.280 1.00 0.65 C ATOM 447 O GLY A2076 14.065 -6.769 -7.769 1.00 0.93 O ATOM 0 H GLY A2076 11.468 -3.849 -6.294 1.00 0.57 H new ATOM 0 HA2 GLY A2076 12.276 -4.505 -8.332 1.00 0.67 H new ATOM 0 HA3 GLY A2076 13.927 -4.257 -7.800 1.00 0.67 H new ATOM 451 N HIS A2077 12.179 -6.770 -6.558 1.00 0.51 N ATOM 452 CA HIS A2077 12.246 -8.208 -6.317 1.00 0.66 C ATOM 453 C HIS A2077 10.953 -8.909 -6.750 1.00 0.68 C ATOM 454 O HIS A2077 10.865 -10.132 -6.740 1.00 0.97 O ATOM 455 CB HIS A2077 12.606 -8.506 -4.855 1.00 0.81 C ATOM 456 CG HIS A2077 11.524 -8.305 -3.852 1.00 0.50 C ATOM 457 ND1 HIS A2077 10.770 -9.335 -3.350 1.00 0.54 N ATOM 458 CD2 HIS A2077 11.124 -7.196 -3.202 1.00 0.74 C ATOM 459 CE1 HIS A2077 9.956 -8.868 -2.434 1.00 0.61 C ATOM 460 NE2 HIS A2077 10.151 -7.567 -2.318 1.00 0.80 N ATOM 0 H HIS A2077 11.378 -6.300 -6.136 1.00 0.51 H new ATOM 0 HA HIS A2077 13.046 -8.616 -6.934 1.00 0.66 H new ATOM 0 HB2 HIS A2077 12.944 -9.540 -4.790 1.00 0.81 H new ATOM 0 HB3 HIS A2077 13.451 -7.877 -4.576 1.00 0.81 H new ATOM 0 HD1 HIS A2077 10.833 -10.310 -3.643 1.00 0.54 H new ATOM 0 HD2 HIS A2077 11.503 -6.196 -3.352 1.00 0.74 H new ATOM 0 HE1 HIS A2077 9.244 -9.451 -1.868 1.00 0.61 H new ATOM 469 N HIS A2078 9.955 -8.102 -7.105 1.00 0.62 N ATOM 470 CA HIS A2078 8.747 -8.553 -7.818 1.00 0.69 C ATOM 471 C HIS A2078 7.783 -9.425 -7.004 1.00 0.80 C ATOM 472 O HIS A2078 6.598 -9.486 -7.334 1.00 1.56 O ATOM 473 CB HIS A2078 9.116 -9.260 -9.126 1.00 0.81 C ATOM 474 CG HIS A2078 9.605 -8.321 -10.186 1.00 0.88 C ATOM 475 ND1 HIS A2078 8.763 -7.508 -10.914 1.00 0.93 N ATOM 476 CD2 HIS A2078 10.856 -8.052 -10.627 1.00 0.96 C ATOM 477 CE1 HIS A2078 9.473 -6.782 -11.755 1.00 1.03 C ATOM 478 NE2 HIS A2078 10.744 -7.092 -11.601 1.00 1.05 N ATOM 0 H HIS A2078 9.956 -7.102 -6.906 1.00 0.62 H new ATOM 0 HA HIS A2078 8.198 -7.634 -8.022 1.00 0.69 H new ATOM 0 HB2 HIS A2078 9.887 -10.004 -8.925 1.00 0.81 H new ATOM 0 HB3 HIS A2078 8.244 -9.797 -9.500 1.00 0.81 H new ATOM 0 HD2 HIS A2078 11.771 -8.508 -10.278 1.00 0.96 H new ATOM 0 HE1 HIS A2078 9.079 -6.057 -12.452 1.00 1.03 H new ATOM 0 HE2 HIS A2078 11.520 -6.684 -12.122 1.00 1.05 H new ATOM 487 N THR A2079 8.243 -10.102 -5.963 1.00 0.64 N ATOM 488 CA THR A2079 7.339 -10.943 -5.192 1.00 0.67 C ATOM 489 C THR A2079 6.663 -10.199 -4.045 1.00 0.44 C ATOM 490 O THR A2079 7.323 -9.621 -3.189 1.00 0.54 O ATOM 491 CB THR A2079 8.017 -12.160 -4.592 1.00 1.02 C ATOM 492 OG1 THR A2079 9.278 -11.797 -4.015 1.00 1.82 O ATOM 493 CG2 THR A2079 8.202 -13.256 -5.616 1.00 0.59 C ATOM 0 H THR A2079 9.210 -10.088 -5.638 1.00 0.64 H new ATOM 0 HA THR A2079 6.597 -11.256 -5.926 1.00 0.67 H new ATOM 0 HB THR A2079 7.367 -12.547 -3.807 1.00 1.02 H new ATOM 0 HG1 THR A2079 9.773 -12.608 -3.774 1.00 1.82 H new ATOM 0 HG21 THR A2079 8.691 -14.111 -5.149 1.00 0.59 H new ATOM 0 HG22 THR A2079 7.229 -13.560 -6.003 1.00 0.59 H new ATOM 0 HG23 THR A2079 8.819 -12.888 -6.435 1.00 0.59 H new ATOM 501 N PRO A2080 5.329 -10.216 -4.008 1.00 0.29 N ATOM 502 CA PRO A2080 4.538 -9.642 -2.924 1.00 0.32 C ATOM 503 C PRO A2080 4.381 -10.630 -1.774 1.00 0.45 C ATOM 504 O PRO A2080 4.010 -10.264 -0.660 1.00 0.51 O ATOM 505 CB PRO A2080 3.178 -9.375 -3.594 1.00 0.39 C ATOM 506 CG PRO A2080 3.390 -9.699 -5.039 1.00 0.39 C ATOM 507 CD PRO A2080 4.459 -10.747 -5.039 1.00 0.32 C ATOM 0 HA PRO A2080 4.994 -8.752 -2.490 1.00 0.32 H new ATOM 0 HB2 PRO A2080 2.395 -9.997 -3.160 1.00 0.39 H new ATOM 0 HB3 PRO A2080 2.870 -8.338 -3.463 1.00 0.39 H new ATOM 0 HG2 PRO A2080 2.474 -10.067 -5.501 1.00 0.39 H new ATOM 0 HG3 PRO A2080 3.699 -8.818 -5.602 1.00 0.39 H new ATOM 0 HD2 PRO A2080 4.074 -11.736 -4.791 1.00 0.32 H new ATOM 0 HD3 PRO A2080 4.959 -10.833 -6.004 1.00 0.32 H new ATOM 515 N GLU A2081 4.672 -11.891 -2.059 1.00 0.53 N ATOM 516 CA GLU A2081 4.613 -12.936 -1.056 1.00 0.64 C ATOM 517 C GLU A2081 5.879 -12.936 -0.210 1.00 0.56 C ATOM 518 O GLU A2081 5.892 -13.454 0.906 1.00 0.70 O ATOM 519 CB GLU A2081 4.408 -14.300 -1.716 1.00 0.84 C ATOM 520 CG GLU A2081 5.392 -14.598 -2.834 1.00 0.93 C ATOM 521 CD GLU A2081 5.170 -15.964 -3.444 1.00 1.28 C ATOM 522 OE1 GLU A2081 4.239 -16.108 -4.259 1.00 1.54 O ATOM 523 OE2 GLU A2081 5.932 -16.897 -3.119 1.00 1.45 O ATOM 0 H GLU A2081 4.953 -12.213 -2.985 1.00 0.53 H new ATOM 0 HA GLU A2081 3.763 -12.739 -0.402 1.00 0.64 H new ATOM 0 HB2 GLU A2081 4.491 -15.077 -0.956 1.00 0.84 H new ATOM 0 HB3 GLU A2081 3.395 -14.351 -2.114 1.00 0.84 H new ATOM 0 HG2 GLU A2081 5.300 -13.837 -3.609 1.00 0.93 H new ATOM 0 HG3 GLU A2081 6.409 -14.536 -2.446 1.00 0.93 H new ATOM 530 N SER A2082 6.935 -12.333 -0.735 1.00 0.43 N ATOM 531 CA SER A2082 8.196 -12.260 -0.015 1.00 0.43 C ATOM 532 C SER A2082 8.289 -10.945 0.752 1.00 0.33 C ATOM 533 O SER A2082 9.375 -10.482 1.097 1.00 0.38 O ATOM 534 CB SER A2082 9.361 -12.403 -0.992 1.00 0.54 C ATOM 535 OG SER A2082 10.595 -12.559 -0.314 1.00 0.63 O ATOM 0 H SER A2082 6.944 -11.889 -1.653 1.00 0.43 H new ATOM 0 HA SER A2082 8.245 -13.077 0.704 1.00 0.43 H new ATOM 0 HB2 SER A2082 9.190 -13.263 -1.640 1.00 0.54 H new ATOM 0 HB3 SER A2082 9.407 -11.524 -1.635 1.00 0.54 H new ATOM 0 HG SER A2082 10.656 -11.902 0.410 1.00 0.63 H new ATOM 541 N ILE A2083 7.136 -10.349 1.009 1.00 0.25 N ATOM 542 CA ILE A2083 7.062 -9.079 1.718 1.00 0.17 C ATOM 543 C ILE A2083 6.628 -9.304 3.159 1.00 0.15 C ATOM 544 O ILE A2083 5.528 -9.799 3.410 1.00 0.22 O ATOM 545 CB ILE A2083 6.059 -8.127 1.037 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.350 -8.048 -0.459 1.00 0.18 C ATOM 547 CG2 ILE A2083 6.115 -6.736 1.666 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.554 -7.216 -0.799 1.00 0.22 C ATOM 0 H ILE A2083 6.230 -10.728 0.735 1.00 0.25 H new ATOM 0 HA ILE A2083 8.054 -8.628 1.697 1.00 0.17 H new ATOM 0 HB ILE A2083 5.053 -8.522 1.182 1.00 0.13 H new ATOM 0 HG12 ILE A2083 6.496 -9.057 -0.845 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.479 -7.635 -0.968 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.398 -6.083 1.168 1.00 0.12 H new ATOM 0 HG22 ILE A2083 5.868 -6.806 2.725 1.00 0.12 H new ATOM 0 HG23 ILE A2083 7.119 -6.326 1.554 1.00 0.12 H new ATOM 0 HD11 ILE A2083 7.697 -7.207 -1.880 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.404 -6.196 -0.445 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.436 -7.640 -0.320 1.00 0.22 H new ATOM 560 N SER A2084 7.500 -8.960 4.092 1.00 0.14 N ATOM 561 CA SER A2084 7.195 -9.080 5.507 1.00 0.14 C ATOM 562 C SER A2084 6.435 -7.845 5.992 1.00 0.12 C ATOM 563 O SER A2084 7.010 -6.761 6.096 1.00 0.12 O ATOM 564 CB SER A2084 8.492 -9.251 6.301 1.00 0.19 C ATOM 565 OG SER A2084 9.230 -10.370 5.833 1.00 0.28 O ATOM 0 H SER A2084 8.431 -8.593 3.892 1.00 0.14 H new ATOM 0 HA SER A2084 6.565 -9.956 5.662 1.00 0.14 H new ATOM 0 HB2 SER A2084 9.098 -8.349 6.214 1.00 0.19 H new ATOM 0 HB3 SER A2084 8.261 -9.379 7.359 1.00 0.19 H new ATOM 0 HG SER A2084 10.055 -10.459 6.354 1.00 0.28 H new ATOM 571 N PRO A2085 5.130 -7.990 6.291 1.00 0.12 N ATOM 572 CA PRO A2085 4.292 -6.867 6.716 1.00 0.12 C ATOM 573 C PRO A2085 4.700 -6.319 8.066 1.00 0.12 C ATOM 574 O PRO A2085 4.500 -5.138 8.354 1.00 0.13 O ATOM 575 CB PRO A2085 2.885 -7.454 6.808 1.00 0.15 C ATOM 576 CG PRO A2085 3.073 -8.929 6.914 1.00 0.15 C ATOM 577 CD PRO A2085 4.375 -9.253 6.232 1.00 0.14 C ATOM 0 HA PRO A2085 4.376 -6.035 6.017 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.353 -7.063 7.675 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.294 -7.196 5.929 1.00 0.15 H new ATOM 0 HG2 PRO A2085 3.096 -9.242 7.958 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.246 -9.459 6.440 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.903 -10.058 6.742 1.00 0.14 H new ATOM 0 HD3 PRO A2085 4.217 -9.576 5.203 1.00 0.14 H new ATOM 585 N ALA A2086 5.262 -7.185 8.888 1.00 0.11 N ATOM 586 CA ALA A2086 5.652 -6.803 10.230 1.00 0.12 C ATOM 587 C ALA A2086 6.933 -5.982 10.220 1.00 0.11 C ATOM 588 O ALA A2086 7.145 -5.136 11.092 1.00 0.14 O ATOM 589 CB ALA A2086 5.820 -8.033 11.101 1.00 0.14 C ATOM 0 H ALA A2086 5.458 -8.157 8.649 1.00 0.11 H new ATOM 0 HA ALA A2086 4.859 -6.182 10.646 1.00 0.12 H new ATOM 0 HB1 ALA A2086 6.113 -7.730 12.106 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.877 -8.578 11.147 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.591 -8.677 10.677 1.00 0.14 H new ATOM 595 N THR A2087 7.787 -6.237 9.242 1.00 0.10 N ATOM 596 CA THR A2087 8.992 -5.458 9.077 1.00 0.11 C ATOM 597 C THR A2087 8.635 -4.116 8.485 1.00 0.10 C ATOM 598 O THR A2087 7.694 -3.992 7.703 1.00 0.10 O ATOM 599 CB THR A2087 9.999 -6.143 8.143 1.00 0.14 C ATOM 600 OG1 THR A2087 10.259 -7.481 8.589 1.00 0.16 O ATOM 601 CG2 THR A2087 11.308 -5.356 8.056 1.00 0.16 C ATOM 0 H THR A2087 7.663 -6.979 8.553 1.00 0.10 H new ATOM 0 HA THR A2087 9.452 -5.351 10.060 1.00 0.11 H new ATOM 0 HB THR A2087 9.559 -6.175 7.146 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.901 -7.908 7.985 1.00 0.16 H new ATOM 0 HG21 THR A2087 11.998 -5.870 7.386 1.00 0.16 H new ATOM 0 HG22 THR A2087 11.106 -4.356 7.672 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.754 -5.281 9.048 1.00 0.16 H new ATOM 609 N ALA A2088 9.396 -3.127 8.854 1.00 0.12 N ATOM 610 CA ALA A2088 9.168 -1.784 8.381 1.00 0.12 C ATOM 611 C ALA A2088 9.802 -1.604 7.024 1.00 0.11 C ATOM 612 O ALA A2088 10.857 -2.177 6.752 1.00 0.12 O ATOM 613 CB ALA A2088 9.703 -0.766 9.363 1.00 0.15 C ATOM 0 H ALA A2088 10.189 -3.223 9.488 1.00 0.12 H new ATOM 0 HA ALA A2088 8.094 -1.624 8.291 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.518 0.239 8.982 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.202 -0.888 10.323 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.775 -0.914 9.492 1.00 0.15 H new ATOM 619 N PHE A2089 9.152 -0.827 6.179 1.00 0.10 N ATOM 620 CA PHE A2089 9.638 -0.582 4.823 1.00 0.09 C ATOM 621 C PHE A2089 11.108 -0.214 4.805 1.00 0.09 C ATOM 622 O PHE A2089 11.846 -0.637 3.916 1.00 0.12 O ATOM 623 CB PHE A2089 8.839 0.531 4.173 1.00 0.09 C ATOM 624 CG PHE A2089 7.523 0.077 3.641 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.463 -0.799 2.569 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.347 0.517 4.210 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.250 -1.226 2.080 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.133 0.097 3.722 1.00 0.12 C ATOM 629 CZ PHE A2089 5.085 -0.776 2.657 1.00 0.10 C ATOM 0 H PHE A2089 8.280 -0.349 6.404 1.00 0.10 H new ATOM 0 HA PHE A2089 9.511 -1.509 4.264 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.674 1.325 4.902 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.423 0.961 3.360 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.377 -1.150 2.113 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.380 1.198 5.047 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.213 -1.912 1.246 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.218 0.451 4.173 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.131 -1.108 2.274 1.00 0.10 H new ATOM 639 N LYS A2090 11.515 0.581 5.781 1.00 0.12 N ATOM 640 CA LYS A2090 12.904 0.935 5.958 1.00 0.16 C ATOM 641 C LYS A2090 13.785 -0.297 5.878 1.00 0.17 C ATOM 642 O LYS A2090 14.588 -0.448 4.957 1.00 0.20 O ATOM 643 CB LYS A2090 13.108 1.591 7.316 1.00 0.21 C ATOM 644 CG LYS A2090 14.557 1.906 7.607 1.00 0.29 C ATOM 645 CD LYS A2090 15.089 2.882 6.591 1.00 0.38 C ATOM 646 CE LYS A2090 16.044 2.210 5.634 1.00 1.54 C ATOM 647 NZ LYS A2090 16.356 3.062 4.456 1.00 1.69 N ATOM 0 H LYS A2090 10.888 0.996 6.470 1.00 0.12 H new ATOM 0 HA LYS A2090 13.178 1.629 5.163 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.526 2.511 7.360 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.722 0.932 8.094 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.652 2.324 8.609 1.00 0.29 H new ATOM 0 HG3 LYS A2090 15.147 0.990 7.587 1.00 0.29 H new ATOM 0 HD2 LYS A2090 14.260 3.319 6.034 1.00 0.38 H new ATOM 0 HD3 LYS A2090 15.597 3.700 7.101 1.00 0.38 H new ATOM 0 HE2 LYS A2090 16.968 1.966 6.158 1.00 1.54 H new ATOM 0 HE3 LYS A2090 15.612 1.269 5.294 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 17.248 2.745 4.025 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 15.588 2.986 3.759 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 16.451 4.052 4.759 1.00 1.69 H new ATOM 661 N ASP A2091 13.608 -1.176 6.848 1.00 0.17 N ATOM 662 CA ASP A2091 14.399 -2.393 6.942 1.00 0.20 C ATOM 663 C ASP A2091 14.237 -3.255 5.692 1.00 0.20 C ATOM 664 O ASP A2091 15.142 -3.999 5.309 1.00 0.32 O ATOM 665 CB ASP A2091 14.006 -3.190 8.186 1.00 0.24 C ATOM 666 CG ASP A2091 14.201 -2.405 9.467 1.00 1.23 C ATOM 667 OD1 ASP A2091 13.249 -1.719 9.901 1.00 2.27 O ATOM 668 OD2 ASP A2091 15.310 -2.459 10.045 1.00 1.15 O ATOM 0 H ASP A2091 12.916 -1.069 7.590 1.00 0.17 H new ATOM 0 HA ASP A2091 15.447 -2.105 7.022 1.00 0.20 H new ATOM 0 HB2 ASP A2091 12.962 -3.492 8.105 1.00 0.24 H new ATOM 0 HB3 ASP A2091 14.599 -4.103 8.230 1.00 0.24 H new ATOM 673 N LEU A2092 13.082 -3.133 5.053 1.00 0.16 N ATOM 674 CA LEU A2092 12.765 -3.891 3.851 1.00 0.18 C ATOM 675 C LEU A2092 13.519 -3.386 2.622 1.00 0.19 C ATOM 676 O LEU A2092 13.576 -4.073 1.604 1.00 0.24 O ATOM 677 CB LEU A2092 11.260 -3.844 3.612 1.00 0.17 C ATOM 678 CG LEU A2092 10.448 -4.548 4.690 1.00 0.19 C ATOM 679 CD1 LEU A2092 8.967 -4.277 4.545 1.00 0.18 C ATOM 680 CD2 LEU A2092 10.714 -6.034 4.636 1.00 0.23 C ATOM 0 H LEU A2092 12.337 -2.505 5.354 1.00 0.16 H new ATOM 0 HA LEU A2092 13.087 -4.920 4.009 1.00 0.18 H new ATOM 0 HB2 LEU A2092 10.943 -2.803 3.552 1.00 0.17 H new ATOM 0 HB3 LEU A2092 11.040 -4.300 2.647 1.00 0.17 H new ATOM 0 HG LEU A2092 10.759 -4.154 5.658 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.423 -4.797 5.333 1.00 0.18 H new ATOM 0 HD12 LEU A2092 8.784 -3.205 4.624 1.00 0.18 H new ATOM 0 HD13 LEU A2092 8.625 -4.633 3.573 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.132 -6.536 5.409 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.428 -6.420 3.658 1.00 0.23 H new ATOM 0 HD23 LEU A2092 11.775 -6.220 4.803 1.00 0.23 H new ATOM 692 N GLY A2093 14.095 -2.198 2.706 1.00 0.16 N ATOM 693 CA GLY A2093 14.889 -1.701 1.599 1.00 0.18 C ATOM 694 C GLY A2093 14.336 -0.436 0.986 1.00 0.15 C ATOM 695 O GLY A2093 14.809 0.006 -0.060 1.00 0.20 O ATOM 0 H GLY A2093 14.030 -1.574 3.510 1.00 0.16 H new ATOM 0 HA2 GLY A2093 15.905 -1.514 1.945 1.00 0.18 H new ATOM 0 HA3 GLY A2093 14.951 -2.472 0.831 1.00 0.18 H new ATOM 699 N ILE A2094 13.327 0.144 1.612 1.00 0.13 N ATOM 700 CA ILE A2094 12.742 1.373 1.123 1.00 0.12 C ATOM 701 C ILE A2094 13.630 2.587 1.399 1.00 0.12 C ATOM 702 O ILE A2094 14.077 2.814 2.530 1.00 0.16 O ATOM 703 CB ILE A2094 11.345 1.561 1.735 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.349 0.673 0.991 1.00 0.18 C ATOM 705 CG2 ILE A2094 10.912 3.017 1.718 1.00 0.18 C ATOM 706 CD1 ILE A2094 9.902 1.239 -0.335 1.00 0.32 C ATOM 0 H ILE A2094 12.897 -0.220 2.462 1.00 0.13 H new ATOM 0 HA ILE A2094 12.652 1.294 0.040 1.00 0.12 H new ATOM 0 HB ILE A2094 11.378 1.263 2.783 1.00 0.12 H new ATOM 0 HG12 ILE A2094 10.802 -0.305 0.824 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.474 0.516 1.622 1.00 0.18 H new ATOM 0 HG21 ILE A2094 9.919 3.107 2.159 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.620 3.614 2.293 1.00 0.18 H new ATOM 0 HG23 ILE A2094 10.886 3.377 0.689 1.00 0.18 H new ATOM 0 HD11 ILE A2094 9.196 0.553 -0.804 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.419 2.203 -0.175 1.00 0.32 H new ATOM 0 HD13 ILE A2094 10.767 1.370 -0.985 1.00 0.32 H new ATOM 718 N ASP A2095 13.895 3.345 0.340 1.00 0.15 N ATOM 719 CA ASP A2095 14.628 4.599 0.442 1.00 0.19 C ATOM 720 C ASP A2095 13.649 5.762 0.406 1.00 0.16 C ATOM 721 O ASP A2095 12.447 5.544 0.310 1.00 0.17 O ATOM 722 CB ASP A2095 15.633 4.740 -0.706 1.00 0.28 C ATOM 723 CG ASP A2095 16.877 3.895 -0.523 1.00 1.04 C ATOM 724 OD1 ASP A2095 17.883 4.416 0.008 1.00 1.23 O ATOM 725 OD2 ASP A2095 16.867 2.712 -0.922 1.00 1.86 O ATOM 0 H ASP A2095 13.608 3.107 -0.610 1.00 0.15 H new ATOM 0 HA ASP A2095 15.177 4.604 1.384 1.00 0.19 H new ATOM 0 HB2 ASP A2095 15.147 4.461 -1.641 1.00 0.28 H new ATOM 0 HB3 ASP A2095 15.924 5.786 -0.798 1.00 0.28 H new ATOM 730 N SER A2096 14.150 6.985 0.461 1.00 0.19 N ATOM 731 CA SER A2096 13.286 8.159 0.419 1.00 0.20 C ATOM 732 C SER A2096 12.542 8.242 -0.915 1.00 0.17 C ATOM 733 O SER A2096 11.339 8.522 -0.958 1.00 0.20 O ATOM 734 CB SER A2096 14.124 9.413 0.649 1.00 0.26 C ATOM 735 OG SER A2096 15.319 9.364 -0.112 1.00 1.32 O ATOM 0 H SER A2096 15.146 7.193 0.535 1.00 0.19 H new ATOM 0 HA SER A2096 12.539 8.078 1.208 1.00 0.20 H new ATOM 0 HB2 SER A2096 13.548 10.297 0.374 1.00 0.26 H new ATOM 0 HB3 SER A2096 14.365 9.506 1.708 1.00 0.26 H new ATOM 0 HG SER A2096 15.842 10.177 0.047 1.00 1.32 H new ATOM 741 N LEU A2097 13.272 7.980 -1.992 1.00 0.17 N ATOM 742 CA LEU A2097 12.740 7.965 -3.328 1.00 0.19 C ATOM 743 C LEU A2097 11.650 6.934 -3.453 1.00 0.18 C ATOM 744 O LEU A2097 10.529 7.246 -3.822 1.00 0.24 O ATOM 745 CB LEU A2097 13.887 7.613 -4.247 1.00 0.23 C ATOM 746 CG LEU A2097 13.743 8.029 -5.689 1.00 1.07 C ATOM 747 CD1 LEU A2097 13.451 9.515 -5.779 1.00 1.61 C ATOM 748 CD2 LEU A2097 15.022 7.686 -6.412 1.00 1.55 C ATOM 0 H LEU A2097 14.269 7.769 -1.949 1.00 0.17 H new ATOM 0 HA LEU A2097 12.308 8.933 -3.582 1.00 0.19 H new ATOM 0 HB2 LEU A2097 14.795 8.067 -3.850 1.00 0.23 H new ATOM 0 HB3 LEU A2097 14.031 6.533 -4.216 1.00 0.23 H new ATOM 0 HG LEU A2097 12.910 7.501 -6.153 1.00 1.07 H new ATOM 0 HD11 LEU A2097 13.349 9.803 -6.825 1.00 1.61 H new ATOM 0 HD12 LEU A2097 12.524 9.736 -5.250 1.00 1.61 H new ATOM 0 HD13 LEU A2097 14.270 10.075 -5.327 1.00 1.61 H new ATOM 0 HD21 LEU A2097 14.938 7.979 -7.458 1.00 1.55 H new ATOM 0 HD22 LEU A2097 15.854 8.218 -5.951 1.00 1.55 H new ATOM 0 HD23 LEU A2097 15.199 6.612 -6.349 1.00 1.55 H new ATOM 760 N THR A2098 11.979 5.703 -3.138 1.00 0.14 N ATOM 761 CA THR A2098 11.023 4.633 -3.255 1.00 0.15 C ATOM 762 C THR A2098 9.895 4.727 -2.243 1.00 0.16 C ATOM 763 O THR A2098 8.807 4.220 -2.488 1.00 0.17 O ATOM 764 CB THR A2098 11.687 3.265 -3.204 1.00 0.15 C ATOM 765 OG1 THR A2098 12.903 3.335 -2.445 1.00 0.17 O ATOM 766 CG2 THR A2098 11.955 2.793 -4.619 1.00 0.19 C ATOM 0 H THR A2098 12.899 5.421 -2.800 1.00 0.14 H new ATOM 0 HA THR A2098 10.572 4.751 -4.240 1.00 0.15 H new ATOM 0 HB THR A2098 11.027 2.550 -2.712 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.322 2.450 -2.416 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.431 1.813 -4.592 1.00 0.19 H new ATOM 0 HG22 THR A2098 11.014 2.724 -5.164 1.00 0.19 H new ATOM 0 HG23 THR A2098 12.613 3.502 -5.121 1.00 0.19 H new ATOM 774 N ALA A2099 10.142 5.372 -1.110 1.00 0.16 N ATOM 775 CA ALA A2099 9.062 5.692 -0.186 1.00 0.18 C ATOM 776 C ALA A2099 8.038 6.573 -0.891 1.00 0.21 C ATOM 777 O ALA A2099 6.858 6.607 -0.541 1.00 0.24 O ATOM 778 CB ALA A2099 9.597 6.393 1.054 1.00 0.18 C ATOM 0 H ALA A2099 11.067 5.680 -0.812 1.00 0.16 H new ATOM 0 HA ALA A2099 8.586 4.765 0.133 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.771 6.621 1.728 1.00 0.18 H new ATOM 0 HB2 ALA A2099 10.310 5.742 1.561 1.00 0.18 H new ATOM 0 HB3 ALA A2099 10.094 7.318 0.763 1.00 0.18 H new ATOM 784 N LEU A2100 8.515 7.264 -1.909 1.00 0.20 N ATOM 785 CA LEU A2100 7.693 8.131 -2.717 1.00 0.24 C ATOM 786 C LEU A2100 7.134 7.337 -3.897 1.00 0.20 C ATOM 787 O LEU A2100 5.968 7.476 -4.257 1.00 0.21 O ATOM 788 CB LEU A2100 8.539 9.332 -3.172 1.00 0.30 C ATOM 789 CG LEU A2100 8.445 9.699 -4.648 1.00 0.24 C ATOM 790 CD1 LEU A2100 7.135 10.408 -4.940 1.00 1.03 C ATOM 791 CD2 LEU A2100 9.622 10.554 -5.067 1.00 1.15 C ATOM 0 H LEU A2100 9.493 7.236 -2.197 1.00 0.20 H new ATOM 0 HA LEU A2100 6.846 8.513 -2.147 1.00 0.24 H new ATOM 0 HB2 LEU A2100 8.245 10.201 -2.583 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.583 9.125 -2.936 1.00 0.30 H new ATOM 0 HG LEU A2100 8.473 8.778 -5.230 1.00 0.24 H new ATOM 0 HD11 LEU A2100 7.087 10.662 -5.999 1.00 1.03 H new ATOM 0 HD12 LEU A2100 6.302 9.753 -4.686 1.00 1.03 H new ATOM 0 HD13 LEU A2100 7.074 11.319 -4.345 1.00 1.03 H new ATOM 0 HD21 LEU A2100 9.533 10.803 -6.124 1.00 1.15 H new ATOM 0 HD22 LEU A2100 9.634 11.471 -4.478 1.00 1.15 H new ATOM 0 HD23 LEU A2100 10.548 10.004 -4.901 1.00 1.15 H new ATOM 803 N GLU A2101 7.968 6.479 -4.473 1.00 0.21 N ATOM 804 CA GLU A2101 7.577 5.667 -5.620 1.00 0.20 C ATOM 805 C GLU A2101 6.510 4.653 -5.237 1.00 0.17 C ATOM 806 O GLU A2101 5.643 4.311 -6.043 1.00 0.17 O ATOM 807 CB GLU A2101 8.794 4.948 -6.181 1.00 0.23 C ATOM 808 CG GLU A2101 9.946 5.886 -6.460 1.00 0.28 C ATOM 809 CD GLU A2101 11.072 5.238 -7.233 1.00 0.33 C ATOM 810 OE1 GLU A2101 12.228 5.312 -6.780 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.806 4.660 -8.308 1.00 0.45 O ATOM 0 H GLU A2101 8.927 6.327 -4.161 1.00 0.21 H new ATOM 0 HA GLU A2101 7.161 6.329 -6.380 1.00 0.20 H new ATOM 0 HB2 GLU A2101 9.116 4.182 -5.475 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.516 4.436 -7.102 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.578 6.746 -7.020 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.334 6.264 -5.514 1.00 0.28 H new ATOM 818 N LEU A2102 6.578 4.171 -4.008 1.00 0.16 N ATOM 819 CA LEU A2102 5.644 3.225 -3.513 1.00 0.16 C ATOM 820 C LEU A2102 4.257 3.833 -3.435 1.00 0.16 C ATOM 821 O LEU A2102 3.305 3.312 -4.011 1.00 0.21 O ATOM 822 CB LEU A2102 6.115 2.783 -2.145 1.00 0.22 C ATOM 823 CG LEU A2102 5.503 1.499 -1.694 1.00 0.53 C ATOM 824 CD1 LEU A2102 5.730 0.454 -2.752 1.00 1.09 C ATOM 825 CD2 LEU A2102 6.082 1.057 -0.374 1.00 1.13 C ATOM 0 H LEU A2102 7.296 4.439 -3.335 1.00 0.16 H new ATOM 0 HA LEU A2102 5.583 2.368 -4.184 1.00 0.16 H new ATOM 0 HB2 LEU A2102 7.199 2.675 -2.160 1.00 0.22 H new ATOM 0 HB3 LEU A2102 5.882 3.562 -1.419 1.00 0.22 H new ATOM 0 HG LEU A2102 4.433 1.643 -1.547 1.00 0.53 H new ATOM 0 HD11 LEU A2102 5.287 -0.489 -2.433 1.00 1.09 H new ATOM 0 HD12 LEU A2102 5.268 0.775 -3.685 1.00 1.09 H new ATOM 0 HD13 LEU A2102 6.801 0.318 -2.905 1.00 1.09 H new ATOM 0 HD21 LEU A2102 5.618 0.119 -0.069 1.00 1.13 H new ATOM 0 HD22 LEU A2102 7.157 0.913 -0.478 1.00 1.13 H new ATOM 0 HD23 LEU A2102 5.890 1.819 0.381 1.00 1.13 H new ATOM 837 N ARG A2103 4.163 4.945 -2.723 1.00 0.18 N ATOM 838 CA ARG A2103 2.912 5.691 -2.625 1.00 0.25 C ATOM 839 C ARG A2103 2.418 6.096 -4.015 1.00 0.22 C ATOM 840 O ARG A2103 1.219 6.207 -4.242 1.00 0.24 O ATOM 841 CB ARG A2103 3.078 6.924 -1.721 1.00 0.37 C ATOM 842 CG ARG A2103 3.838 8.076 -2.355 1.00 0.72 C ATOM 843 CD ARG A2103 2.893 9.111 -2.948 1.00 0.65 C ATOM 844 NE ARG A2103 3.572 10.006 -3.884 1.00 1.21 N ATOM 845 CZ ARG A2103 3.313 11.309 -4.006 1.00 1.49 C ATOM 846 NH1 ARG A2103 2.373 11.881 -3.261 1.00 1.92 N ATOM 847 NH2 ARG A2103 3.978 12.037 -4.895 1.00 2.11 N ATOM 0 H ARG A2103 4.939 5.354 -2.202 1.00 0.18 H new ATOM 0 HA ARG A2103 2.162 5.042 -2.172 1.00 0.25 H new ATOM 0 HB2 ARG A2103 2.090 7.277 -1.425 1.00 0.37 H new ATOM 0 HB3 ARG A2103 3.595 6.623 -0.810 1.00 0.37 H new ATOM 0 HG2 ARG A2103 4.474 8.549 -1.606 1.00 0.72 H new ATOM 0 HG3 ARG A2103 4.496 7.693 -3.136 1.00 0.72 H new ATOM 0 HD2 ARG A2103 2.076 8.603 -3.461 1.00 0.65 H new ATOM 0 HD3 ARG A2103 2.449 9.698 -2.144 1.00 0.65 H new ATOM 0 HE ARG A2103 4.293 9.607 -4.485 1.00 1.21 H new ATOM 0 HH11 ARG A2103 1.844 11.323 -2.590 1.00 1.92 H new ATOM 0 HH12 ARG A2103 2.180 12.878 -3.360 1.00 1.92 H new ATOM 0 HH21 ARG A2103 4.687 11.600 -5.484 1.00 2.11 H new ATOM 0 HH22 ARG A2103 3.780 13.033 -4.989 1.00 2.11 H new ATOM 861 N ASN A2104 3.356 6.321 -4.936 1.00 0.21 N ATOM 862 CA ASN A2104 3.029 6.591 -6.331 1.00 0.22 C ATOM 863 C ASN A2104 2.240 5.428 -6.924 1.00 0.23 C ATOM 864 O ASN A2104 1.139 5.609 -7.450 1.00 0.29 O ATOM 865 CB ASN A2104 4.310 6.822 -7.142 1.00 0.23 C ATOM 866 CG ASN A2104 4.918 8.197 -6.940 1.00 0.31 C ATOM 867 OD1 ASN A2104 4.240 9.139 -6.531 1.00 0.40 O ATOM 868 ND2 ASN A2104 6.197 8.328 -7.260 1.00 0.36 N ATOM 0 H ASN A2104 4.356 6.321 -4.735 1.00 0.21 H new ATOM 0 HA ASN A2104 2.416 7.491 -6.375 1.00 0.22 H new ATOM 0 HB2 ASN A2104 5.045 6.065 -6.868 1.00 0.23 H new ATOM 0 HB3 ASN A2104 4.090 6.683 -8.200 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.655 9.235 -7.171 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.724 7.522 -7.595 1.00 0.36 H new ATOM 875 N THR A2105 2.800 4.228 -6.814 1.00 0.21 N ATOM 876 CA THR A2105 2.145 3.020 -7.301 1.00 0.24 C ATOM 877 C THR A2105 0.836 2.770 -6.544 1.00 0.22 C ATOM 878 O THR A2105 -0.173 2.381 -7.139 1.00 0.24 O ATOM 879 CB THR A2105 3.077 1.799 -7.148 1.00 0.28 C ATOM 880 OG1 THR A2105 4.336 2.068 -7.779 1.00 0.33 O ATOM 881 CG2 THR A2105 2.459 0.553 -7.763 1.00 0.28 C ATOM 0 H THR A2105 3.713 4.066 -6.389 1.00 0.21 H new ATOM 0 HA THR A2105 1.918 3.163 -8.358 1.00 0.24 H new ATOM 0 HB THR A2105 3.226 1.619 -6.083 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.847 2.700 -7.232 1.00 0.33 H new ATOM 0 HG21 THR A2105 3.139 -0.290 -7.639 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.514 0.332 -7.266 1.00 0.28 H new ATOM 0 HG23 THR A2105 2.280 0.722 -8.825 1.00 0.28 H new ATOM 889 N LEU A2106 0.856 3.014 -5.238 1.00 0.20 N ATOM 890 CA LEU A2106 -0.324 2.829 -4.401 1.00 0.19 C ATOM 891 C LEU A2106 -1.436 3.792 -4.797 1.00 0.18 C ATOM 892 O LEU A2106 -2.563 3.371 -5.015 1.00 0.22 O ATOM 893 CB LEU A2106 0.026 3.025 -2.924 1.00 0.28 C ATOM 894 CG LEU A2106 1.075 2.062 -2.370 1.00 0.50 C ATOM 895 CD1 LEU A2106 1.379 2.385 -0.916 1.00 1.25 C ATOM 896 CD2 LEU A2106 0.609 0.622 -2.509 1.00 1.47 C ATOM 0 H LEU A2106 1.680 3.342 -4.734 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.678 1.809 -4.552 1.00 0.19 H new ATOM 0 HB2 LEU A2106 0.383 4.045 -2.784 1.00 0.28 H new ATOM 0 HB3 LEU A2106 -0.885 2.923 -2.335 1.00 0.28 H new ATOM 0 HG LEU A2106 1.990 2.183 -2.950 1.00 0.50 H new ATOM 0 HD11 LEU A2106 2.128 1.689 -0.538 1.00 1.25 H new ATOM 0 HD12 LEU A2106 1.759 3.404 -0.841 1.00 1.25 H new ATOM 0 HD13 LEU A2106 0.468 2.294 -0.325 1.00 1.25 H new ATOM 0 HD21 LEU A2106 1.371 -0.047 -2.109 1.00 1.47 H new ATOM 0 HD22 LEU A2106 -0.321 0.486 -1.957 1.00 1.47 H new ATOM 0 HD23 LEU A2106 0.442 0.393 -3.562 1.00 1.47 H new ATOM 908 N THR A2107 -1.115 5.078 -4.908 1.00 0.19 N ATOM 909 CA THR A2107 -2.106 6.094 -5.252 1.00 0.27 C ATOM 910 C THR A2107 -2.711 5.803 -6.633 1.00 0.29 C ATOM 911 O THR A2107 -3.872 6.109 -6.900 1.00 0.33 O ATOM 912 CB THR A2107 -1.473 7.516 -5.188 1.00 0.37 C ATOM 913 OG1 THR A2107 -2.261 8.373 -4.357 1.00 0.67 O ATOM 914 CG2 THR A2107 -1.326 8.155 -6.560 1.00 0.44 C ATOM 0 H THR A2107 -0.173 5.442 -4.764 1.00 0.19 H new ATOM 0 HA THR A2107 -2.915 6.062 -4.523 1.00 0.27 H new ATOM 0 HB THR A2107 -0.475 7.392 -4.768 1.00 0.37 H new ATOM 0 HG1 THR A2107 -3.145 8.497 -4.761 1.00 0.67 H new ATOM 0 HG21 THR A2107 -0.880 9.144 -6.455 1.00 0.44 H new ATOM 0 HG22 THR A2107 -0.685 7.532 -7.185 1.00 0.44 H new ATOM 0 HG23 THR A2107 -2.307 8.247 -7.025 1.00 0.44 H new ATOM 922 N HIS A2108 -1.912 5.169 -7.480 1.00 0.29 N ATOM 923 CA HIS A2108 -2.342 4.742 -8.807 1.00 0.35 C ATOM 924 C HIS A2108 -3.298 3.556 -8.709 1.00 0.35 C ATOM 925 O HIS A2108 -4.340 3.518 -9.359 1.00 0.47 O ATOM 926 CB HIS A2108 -1.104 4.361 -9.608 1.00 0.38 C ATOM 927 CG HIS A2108 -1.369 3.965 -11.025 1.00 0.61 C ATOM 928 ND1 HIS A2108 -1.500 4.864 -12.060 1.00 0.71 N ATOM 929 CD2 HIS A2108 -1.495 2.743 -11.573 1.00 1.06 C ATOM 930 CE1 HIS A2108 -1.693 4.204 -13.186 1.00 1.01 C ATOM 931 NE2 HIS A2108 -1.693 2.910 -12.921 1.00 1.29 N ATOM 0 H HIS A2108 -0.943 4.935 -7.266 1.00 0.29 H new ATOM 0 HA HIS A2108 -2.874 5.554 -9.302 1.00 0.35 H new ATOM 0 HB2 HIS A2108 -0.413 5.204 -9.605 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.602 3.536 -9.103 1.00 0.38 H new ATOM 0 HD2 HIS A2108 -1.449 1.801 -11.047 1.00 1.06 H new ATOM 0 HE1 HIS A2108 -1.828 4.648 -14.161 1.00 1.01 H new ATOM 0 HE2 HIS A2108 -1.819 2.162 -13.603 1.00 1.29 H new ATOM 940 N ASN A2109 -2.917 2.593 -7.889 1.00 0.27 N ATOM 941 CA ASN A2109 -3.687 1.360 -7.710 1.00 0.28 C ATOM 942 C ASN A2109 -4.968 1.582 -6.903 1.00 0.28 C ATOM 943 O ASN A2109 -5.990 0.946 -7.153 1.00 0.36 O ATOM 944 CB ASN A2109 -2.820 0.310 -7.018 1.00 0.28 C ATOM 945 CG ASN A2109 -2.071 -0.568 -8.001 1.00 0.35 C ATOM 946 OD1 ASN A2109 -2.549 -1.634 -8.389 1.00 0.40 O ATOM 947 ND2 ASN A2109 -0.895 -0.128 -8.414 1.00 0.39 N ATOM 0 H ASN A2109 -2.068 2.637 -7.326 1.00 0.27 H new ATOM 0 HA ASN A2109 -3.983 1.014 -8.701 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.105 0.809 -6.364 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.449 -0.315 -6.385 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -0.349 -0.677 -9.078 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -0.533 0.761 -8.069 1.00 0.39 H new ATOM 954 N THR A2110 -4.901 2.486 -5.944 1.00 0.25 N ATOM 955 CA THR A2110 -6.014 2.752 -5.045 1.00 0.26 C ATOM 956 C THR A2110 -6.964 3.772 -5.651 1.00 0.27 C ATOM 957 O THR A2110 -8.162 3.786 -5.359 1.00 0.33 O ATOM 958 CB THR A2110 -5.502 3.260 -3.694 1.00 0.27 C ATOM 959 OG1 THR A2110 -4.683 4.422 -3.886 1.00 0.24 O ATOM 960 CG2 THR A2110 -4.705 2.182 -2.973 1.00 0.29 C ATOM 0 H THR A2110 -4.075 3.057 -5.764 1.00 0.25 H new ATOM 0 HA THR A2110 -6.554 1.818 -4.892 1.00 0.26 H new ATOM 0 HB THR A2110 -6.364 3.521 -3.079 1.00 0.27 H new ATOM 0 HG1 THR A2110 -3.757 4.146 -4.050 1.00 0.24 H new ATOM 0 HG21 THR A2110 -4.353 2.568 -2.017 1.00 0.29 H new ATOM 0 HG22 THR A2110 -5.340 1.313 -2.802 1.00 0.29 H new ATOM 0 HG23 THR A2110 -3.850 1.892 -3.584 1.00 0.29 H new ATOM 968 N GLY A2111 -6.417 4.616 -6.515 1.00 0.23 N ATOM 969 CA GLY A2111 -7.192 5.680 -7.103 1.00 0.26 C ATOM 970 C GLY A2111 -7.319 6.850 -6.153 1.00 0.29 C ATOM 971 O GLY A2111 -8.018 7.822 -6.425 1.00 0.36 O ATOM 0 H GLY A2111 -5.444 4.579 -6.818 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -6.720 6.009 -8.029 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -8.184 5.310 -7.364 1.00 0.26 H new ATOM 975 N LEU A2112 -6.635 6.731 -5.027 1.00 0.28 N ATOM 976 CA LEU A2112 -6.645 7.743 -3.990 1.00 0.34 C ATOM 977 C LEU A2112 -5.516 8.718 -4.192 1.00 0.29 C ATOM 978 O LEU A2112 -4.781 8.661 -5.180 1.00 0.29 O ATOM 979 CB LEU A2112 -6.456 7.068 -2.637 1.00 0.43 C ATOM 980 CG LEU A2112 -7.240 5.781 -2.454 1.00 0.33 C ATOM 981 CD1 LEU A2112 -6.651 4.954 -1.335 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.685 6.081 -2.170 1.00 0.47 C ATOM 0 H LEU A2112 -6.054 5.922 -4.808 1.00 0.28 H new ATOM 0 HA LEU A2112 -7.595 8.276 -4.031 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -5.396 6.855 -2.498 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -6.746 7.768 -1.853 1.00 0.43 H new ATOM 0 HG LEU A2112 -7.177 5.209 -3.380 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -7.227 4.036 -1.219 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -5.616 4.706 -1.572 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -6.685 5.523 -0.406 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -9.232 5.147 -2.042 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -8.761 6.674 -1.259 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.111 6.640 -3.003 1.00 0.47 H new ATOM 994 N ASP A2113 -5.385 9.601 -3.236 1.00 0.28 N ATOM 995 CA ASP A2113 -4.284 10.534 -3.210 1.00 0.28 C ATOM 996 C ASP A2113 -3.607 10.483 -1.864 1.00 0.30 C ATOM 997 O ASP A2113 -4.207 10.778 -0.825 1.00 0.35 O ATOM 998 CB ASP A2113 -4.761 11.933 -3.501 1.00 0.34 C ATOM 999 CG ASP A2113 -3.645 12.961 -3.451 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -2.908 13.106 -4.450 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -3.497 13.635 -2.409 1.00 0.43 O ATOM 0 H ASP A2113 -6.035 9.695 -2.455 1.00 0.28 H new ATOM 0 HA ASP A2113 -3.569 10.252 -3.983 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -5.225 11.955 -4.487 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -5.532 12.206 -2.780 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.374 10.067 -1.901 1.00 0.30 N ATOM 1007 CA LEU A2114 -1.576 9.885 -0.705 1.00 0.30 C ATOM 1008 C LEU A2114 -0.334 10.766 -0.740 1.00 0.30 C ATOM 1009 O LEU A2114 0.163 11.115 -1.812 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.157 8.417 -0.564 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.281 7.408 -0.294 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -3.237 7.924 0.771 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.030 7.052 -1.568 1.00 0.91 C ATOM 0 H LEU A2114 -1.882 9.840 -2.766 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.186 10.172 0.152 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.643 8.119 -1.478 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -0.432 8.345 0.247 1.00 0.32 H new ATOM 0 HG LEU A2114 -1.816 6.496 0.081 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -4.023 7.188 0.942 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -2.691 8.093 1.699 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -3.683 8.861 0.437 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -3.819 6.335 -1.338 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -3.471 7.953 -1.994 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -2.338 6.612 -2.286 1.00 0.91 H new ATOM 1025 N PRO A2115 0.174 11.144 0.442 1.00 0.29 N ATOM 1026 CA PRO A2115 1.408 11.925 0.574 1.00 0.31 C ATOM 1027 C PRO A2115 2.648 11.072 0.341 1.00 0.28 C ATOM 1028 O PRO A2115 2.608 9.849 0.485 1.00 0.25 O ATOM 1029 CB PRO A2115 1.364 12.369 2.034 1.00 0.33 C ATOM 1030 CG PRO A2115 0.667 11.249 2.714 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.420 10.843 1.762 1.00 0.30 C ATOM 0 HA PRO A2115 1.465 12.738 -0.149 1.00 0.31 H new ATOM 0 HB2 PRO A2115 2.365 12.523 2.437 1.00 0.33 H new ATOM 0 HB3 PRO A2115 0.824 13.309 2.152 1.00 0.33 H new ATOM 0 HG2 PRO A2115 1.348 10.422 2.914 1.00 0.29 H new ATOM 0 HG3 PRO A2115 0.256 11.562 3.674 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -0.672 9.787 1.861 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.338 11.407 1.931 1.00 0.30 H new ATOM 1039 N PRO A2116 3.777 11.705 -0.003 1.00 0.33 N ATOM 1040 CA PRO A2116 5.050 11.004 -0.148 1.00 0.36 C ATOM 1041 C PRO A2116 5.658 10.675 1.215 1.00 0.34 C ATOM 1042 O PRO A2116 6.754 10.124 1.306 1.00 0.43 O ATOM 1043 CB PRO A2116 5.915 12.004 -0.915 1.00 0.44 C ATOM 1044 CG PRO A2116 5.383 13.338 -0.521 1.00 0.46 C ATOM 1045 CD PRO A2116 3.907 13.149 -0.285 1.00 0.43 C ATOM 0 HA PRO A2116 4.954 10.046 -0.658 1.00 0.36 H new ATOM 0 HB2 PRO A2116 6.968 11.903 -0.651 1.00 0.44 H new ATOM 0 HB3 PRO A2116 5.840 11.849 -1.991 1.00 0.44 H new ATOM 0 HG2 PRO A2116 5.877 13.704 0.379 1.00 0.46 H new ATOM 0 HG3 PRO A2116 5.561 14.075 -1.304 1.00 0.46 H new ATOM 0 HD2 PRO A2116 3.555 13.753 0.551 1.00 0.43 H new ATOM 0 HD3 PRO A2116 3.322 13.440 -1.157 1.00 0.43 H new ATOM 1053 N THR A2117 4.926 11.027 2.270 1.00 0.27 N ATOM 1054 CA THR A2117 5.349 10.764 3.635 1.00 0.24 C ATOM 1055 C THR A2117 4.609 9.573 4.242 1.00 0.17 C ATOM 1056 O THR A2117 4.784 9.279 5.422 1.00 0.15 O ATOM 1057 CB THR A2117 5.134 12.004 4.520 1.00 0.27 C ATOM 1058 OG1 THR A2117 3.822 12.545 4.294 1.00 0.32 O ATOM 1059 CG2 THR A2117 6.183 13.064 4.227 1.00 0.36 C ATOM 0 H THR A2117 4.026 11.501 2.198 1.00 0.27 H new ATOM 0 HA THR A2117 6.411 10.523 3.597 1.00 0.24 H new ATOM 0 HB THR A2117 5.228 11.702 5.563 1.00 0.27 H new ATOM 0 HG1 THR A2117 3.691 13.333 4.862 1.00 0.32 H new ATOM 0 HG21 THR A2117 6.011 13.932 4.864 1.00 0.36 H new ATOM 0 HG22 THR A2117 7.175 12.659 4.425 1.00 0.36 H new ATOM 0 HG23 THR A2117 6.116 13.363 3.181 1.00 0.36 H new ATOM 1067 N LEU A2118 3.771 8.906 3.438 1.00 0.16 N ATOM 1068 CA LEU A2118 3.088 7.678 3.859 1.00 0.16 C ATOM 1069 C LEU A2118 3.991 6.757 4.649 1.00 0.16 C ATOM 1070 O LEU A2118 3.750 6.472 5.820 1.00 0.19 O ATOM 1071 CB LEU A2118 2.646 6.882 2.647 1.00 0.23 C ATOM 1072 CG LEU A2118 1.308 7.234 2.042 1.00 0.33 C ATOM 1073 CD1 LEU A2118 1.011 6.218 0.963 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.223 7.241 3.106 1.00 0.77 C ATOM 0 H LEU A2118 3.549 9.199 2.487 1.00 0.16 H new ATOM 0 HA LEU A2118 2.248 8.001 4.474 1.00 0.16 H new ATOM 0 HB2 LEU A2118 3.406 6.993 1.874 1.00 0.23 H new ATOM 0 HB3 LEU A2118 2.625 5.828 2.924 1.00 0.23 H new ATOM 0 HG LEU A2118 1.335 8.235 1.612 1.00 0.33 H new ATOM 0 HD11 LEU A2118 0.048 6.445 0.505 1.00 0.79 H new ATOM 0 HD12 LEU A2118 1.792 6.255 0.204 1.00 0.79 H new ATOM 0 HD13 LEU A2118 0.978 5.221 1.401 1.00 0.79 H new ATOM 0 HD21 LEU A2118 -0.733 7.497 2.649 1.00 0.77 H new ATOM 0 HD22 LEU A2118 0.154 6.253 3.562 1.00 0.77 H new ATOM 0 HD23 LEU A2118 0.468 7.978 3.871 1.00 0.77 H new ATOM 1086 N ILE A2119 5.016 6.285 3.962 1.00 0.15 N ATOM 1087 CA ILE A2119 5.946 5.298 4.493 1.00 0.18 C ATOM 1088 C ILE A2119 6.582 5.766 5.802 1.00 0.20 C ATOM 1089 O ILE A2119 7.022 4.959 6.614 1.00 0.28 O ATOM 1090 CB ILE A2119 7.070 5.014 3.477 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.523 4.906 2.042 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.826 3.755 3.854 1.00 0.24 C ATOM 1093 CD1 ILE A2119 5.359 3.956 1.858 1.00 0.20 C ATOM 0 H ILE A2119 5.230 6.578 3.009 1.00 0.15 H new ATOM 0 HA ILE A2119 5.372 4.391 4.683 1.00 0.18 H new ATOM 0 HB ILE A2119 7.760 5.857 3.506 1.00 0.19 H new ATOM 0 HG12 ILE A2119 6.215 5.899 1.714 1.00 0.19 H new ATOM 0 HG13 ILE A2119 7.334 4.591 1.385 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.615 3.572 3.124 1.00 0.24 H new ATOM 0 HG22 ILE A2119 8.268 3.878 4.843 1.00 0.24 H new ATOM 0 HG23 ILE A2119 7.140 2.908 3.866 1.00 0.24 H new ATOM 0 HD11 ILE A2119 5.052 3.955 0.812 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.661 2.950 2.148 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.525 4.278 2.481 1.00 0.20 H new ATOM 1105 N PHE A2120 6.628 7.072 5.991 1.00 0.17 N ATOM 1106 CA PHE A2120 7.236 7.661 7.162 1.00 0.19 C ATOM 1107 C PHE A2120 6.232 7.803 8.305 1.00 0.20 C ATOM 1108 O PHE A2120 6.599 7.783 9.479 1.00 0.26 O ATOM 1109 CB PHE A2120 7.802 9.017 6.778 1.00 0.19 C ATOM 1110 CG PHE A2120 9.011 8.893 5.905 1.00 0.24 C ATOM 1111 CD1 PHE A2120 10.071 8.101 6.305 1.00 0.31 C ATOM 1112 CD2 PHE A2120 9.082 9.540 4.684 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.182 7.956 5.508 1.00 0.37 C ATOM 1114 CE2 PHE A2120 10.196 9.402 3.878 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.249 8.608 4.292 1.00 0.38 C ATOM 0 H PHE A2120 6.244 7.752 5.335 1.00 0.17 H new ATOM 0 HA PHE A2120 8.033 7.008 7.518 1.00 0.19 H new ATOM 0 HB2 PHE A2120 7.038 9.595 6.259 1.00 0.19 H new ATOM 0 HB3 PHE A2120 8.062 9.570 7.681 1.00 0.19 H new ATOM 0 HD1 PHE A2120 10.026 7.590 7.255 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.259 10.159 4.358 1.00 0.27 H new ATOM 0 HE1 PHE A2120 12.002 7.333 5.833 1.00 0.37 H new ATOM 0 HE2 PHE A2120 10.244 9.913 2.928 1.00 0.34 H new ATOM 0 HZ PHE A2120 12.122 8.498 3.666 1.00 0.38 H new ATOM 1125 N ASP A2121 4.966 7.955 7.950 1.00 0.17 N ATOM 1126 CA ASP A2121 3.901 8.135 8.936 1.00 0.22 C ATOM 1127 C ASP A2121 3.312 6.792 9.356 1.00 0.20 C ATOM 1128 O ASP A2121 2.970 6.581 10.518 1.00 0.29 O ATOM 1129 CB ASP A2121 2.799 9.022 8.359 1.00 0.29 C ATOM 1130 CG ASP A2121 1.859 9.548 9.424 1.00 0.74 C ATOM 1131 OD1 ASP A2121 0.691 9.115 9.458 1.00 1.34 O ATOM 1132 OD2 ASP A2121 2.290 10.376 10.249 1.00 0.88 O ATOM 0 H ASP A2121 4.645 7.958 6.982 1.00 0.17 H new ATOM 0 HA ASP A2121 4.331 8.614 9.816 1.00 0.22 H new ATOM 0 HB2 ASP A2121 3.252 9.862 7.832 1.00 0.29 H new ATOM 0 HB3 ASP A2121 2.228 8.455 7.624 1.00 0.29 H new ATOM 1137 N HIS A2122 3.212 5.885 8.398 1.00 0.14 N ATOM 1138 CA HIS A2122 2.676 4.549 8.631 1.00 0.14 C ATOM 1139 C HIS A2122 3.638 3.536 8.042 1.00 0.14 C ATOM 1140 O HIS A2122 3.405 3.003 6.957 1.00 0.14 O ATOM 1141 CB HIS A2122 1.307 4.361 7.969 1.00 0.16 C ATOM 1142 CG HIS A2122 0.290 5.396 8.323 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.653 5.223 9.309 1.00 0.34 N ATOM 1144 CD2 HIS A2122 0.058 6.617 7.792 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.419 6.295 9.371 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -1.010 7.157 8.461 1.00 0.40 N ATOM 0 H HIS A2122 3.500 6.052 7.434 1.00 0.14 H new ATOM 0 HA HIS A2122 2.557 4.412 9.706 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.440 4.358 6.887 1.00 0.16 H new ATOM 0 HB3 HIS A2122 0.918 3.381 8.245 1.00 0.16 H new ATOM 0 HD2 HIS A2122 0.611 7.081 6.989 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -2.243 6.442 10.053 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -1.420 8.074 8.284 1.00 0.40 H new ATOM 1155 N PRO A2123 4.736 3.262 8.734 1.00 0.16 N ATOM 1156 CA PRO A2123 5.785 2.444 8.194 1.00 0.17 C ATOM 1157 C PRO A2123 5.615 0.979 8.546 1.00 0.15 C ATOM 1158 O PRO A2123 5.867 0.573 9.676 1.00 0.19 O ATOM 1159 CB PRO A2123 7.017 3.018 8.900 1.00 0.20 C ATOM 1160 CG PRO A2123 6.513 3.706 10.135 1.00 0.25 C ATOM 1161 CD PRO A2123 5.009 3.672 10.088 1.00 0.20 C ATOM 0 HA PRO A2123 5.824 2.466 7.105 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.722 2.227 9.156 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.545 3.718 8.253 1.00 0.20 H new ATOM 0 HG2 PRO A2123 6.880 3.205 11.030 1.00 0.25 H new ATOM 0 HG3 PRO A2123 6.872 4.734 10.175 1.00 0.25 H new ATOM 0 HD2 PRO A2123 4.598 2.969 10.813 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.576 4.648 10.309 1.00 0.20 H new ATOM 1169 N THR A2124 5.140 0.238 7.557 1.00 0.12 N ATOM 1170 CA THR A2124 5.201 -1.212 7.421 1.00 0.10 C ATOM 1171 C THR A2124 4.238 -1.551 6.297 1.00 0.10 C ATOM 1172 O THR A2124 3.327 -0.753 6.049 1.00 0.11 O ATOM 1173 CB THR A2124 4.837 -2.018 8.689 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.753 -1.408 9.394 1.00 0.13 O ATOM 1175 CG2 THR A2124 6.040 -2.163 9.592 1.00 0.11 C ATOM 0 H THR A2124 4.663 0.668 6.764 1.00 0.12 H new ATOM 0 HA THR A2124 6.235 -1.496 7.224 1.00 0.10 H new ATOM 0 HB THR A2124 4.518 -3.012 8.374 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.541 -1.938 10.191 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.763 -2.733 10.479 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.834 -2.685 9.059 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.392 -1.176 9.891 1.00 0.11 H new ATOM 1183 N PRO A2125 4.375 -2.667 5.577 1.00 0.11 N ATOM 1184 CA PRO A2125 3.337 -3.053 4.629 1.00 0.12 C ATOM 1185 C PRO A2125 1.988 -3.145 5.333 1.00 0.13 C ATOM 1186 O PRO A2125 0.964 -2.715 4.800 1.00 0.14 O ATOM 1187 CB PRO A2125 3.789 -4.419 4.118 1.00 0.12 C ATOM 1188 CG PRO A2125 5.259 -4.443 4.353 1.00 0.12 C ATOM 1189 CD PRO A2125 5.510 -3.600 5.577 1.00 0.11 C ATOM 0 HA PRO A2125 3.209 -2.334 3.820 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.289 -5.227 4.653 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.555 -4.544 3.061 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.611 -5.463 4.506 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.796 -4.046 3.492 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.536 -4.204 6.484 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.463 -3.075 5.517 1.00 0.11 H new ATOM 1197 N HIS A2126 2.015 -3.655 6.566 1.00 0.13 N ATOM 1198 CA HIS A2126 0.820 -3.759 7.391 1.00 0.15 C ATOM 1199 C HIS A2126 0.248 -2.382 7.736 1.00 0.14 C ATOM 1200 O HIS A2126 -0.951 -2.177 7.596 1.00 0.16 O ATOM 1201 CB HIS A2126 1.140 -4.573 8.653 1.00 0.18 C ATOM 1202 CG HIS A2126 0.138 -4.437 9.762 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -1.072 -5.094 9.771 1.00 0.35 N ATOM 1204 CD2 HIS A2126 0.173 -3.704 10.900 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -1.738 -4.770 10.863 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -1.005 -3.929 11.566 1.00 0.40 N ATOM 0 H HIS A2126 2.862 -4.004 7.014 1.00 0.13 H new ATOM 0 HA HIS A2126 0.047 -4.279 6.824 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.217 -5.625 8.379 1.00 0.18 H new ATOM 0 HB3 HIS A2126 2.118 -4.268 9.026 1.00 0.18 H new ATOM 0 HD2 HIS A2126 0.979 -3.062 11.223 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -2.718 -5.133 11.135 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -1.270 -3.514 12.459 1.00 0.40 H new ATOM 1215 N ALA A2127 1.093 -1.443 8.168 1.00 0.13 N ATOM 1216 CA ALA A2127 0.620 -0.099 8.538 1.00 0.12 C ATOM 1217 C ALA A2127 -0.132 0.560 7.388 1.00 0.11 C ATOM 1218 O ALA A2127 -1.155 1.215 7.592 1.00 0.11 O ATOM 1219 CB ALA A2127 1.773 0.801 8.980 1.00 0.13 C ATOM 0 H ALA A2127 2.098 -1.582 8.271 1.00 0.13 H new ATOM 0 HA ALA A2127 -0.063 -0.226 9.378 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.386 1.785 9.245 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.267 0.360 9.846 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.490 0.901 8.165 1.00 0.13 H new ATOM 1225 N LEU A2128 0.371 0.383 6.177 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.274 0.936 5.008 1.00 0.11 C ATOM 1227 C LEU A2128 -1.511 0.145 4.631 1.00 0.13 C ATOM 1228 O LEU A2128 -2.484 0.710 4.136 1.00 0.14 O ATOM 1229 CB LEU A2128 0.700 0.973 3.853 1.00 0.11 C ATOM 1230 CG LEU A2128 1.795 2.015 3.988 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.648 2.006 2.743 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.194 3.396 4.239 1.00 0.12 C ATOM 0 H LEU A2128 1.225 -0.140 5.983 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.591 1.952 5.244 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.161 -0.009 3.751 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.147 1.162 2.933 1.00 0.11 H new ATOM 0 HG LEU A2128 2.424 1.773 4.845 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.436 2.753 2.836 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.096 1.020 2.616 1.00 0.12 H new ATOM 0 HD13 LEU A2128 2.029 2.238 1.876 1.00 0.12 H new ATOM 0 HD21 LEU A2128 1.995 4.130 4.333 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.548 3.669 3.405 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.610 3.377 5.159 1.00 0.12 H new ATOM 1244 N THR A2129 -1.481 -1.154 4.891 1.00 0.15 N ATOM 1245 CA THR A2129 -2.633 -2.002 4.651 1.00 0.17 C ATOM 1246 C THR A2129 -3.822 -1.464 5.431 1.00 0.17 C ATOM 1247 O THR A2129 -4.972 -1.559 5.000 1.00 0.20 O ATOM 1248 CB THR A2129 -2.351 -3.460 5.070 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.249 -3.984 4.321 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.567 -4.338 4.849 1.00 0.18 C ATOM 0 H THR A2129 -0.669 -1.642 5.269 1.00 0.15 H new ATOM 0 HA THR A2129 -2.852 -1.995 3.583 1.00 0.17 H new ATOM 0 HB THR A2129 -2.108 -3.460 6.133 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.408 -3.740 4.762 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.338 -5.359 5.153 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.401 -3.961 5.442 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.838 -4.326 3.793 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.515 -0.852 6.565 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.532 -0.257 7.405 1.00 0.18 C ATOM 1260 C GLN A2130 -4.989 1.073 6.810 1.00 0.17 C ATOM 1261 O GLN A2130 -6.188 1.323 6.655 1.00 0.20 O ATOM 1262 CB GLN A2130 -4.001 -0.017 8.823 1.00 0.22 C ATOM 1263 CG GLN A2130 -2.970 -1.031 9.294 1.00 0.28 C ATOM 1264 CD GLN A2130 -2.574 -0.812 10.738 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -1.621 -0.088 11.031 1.00 1.66 O ATOM 1266 NE2 GLN A2130 -3.302 -1.433 11.652 1.00 1.13 N ATOM 0 H GLN A2130 -2.564 -0.757 6.922 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.373 -0.948 7.456 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.559 0.978 8.867 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -4.841 -0.024 9.517 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -3.373 -2.037 9.178 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -2.084 -0.967 8.662 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -4.083 -2.024 11.367 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -3.082 -1.321 12.642 1.00 1.13 H new ATOM 1275 N HIS A2131 -4.022 1.918 6.457 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.323 3.260 5.979 1.00 0.18 C ATOM 1277 C HIS A2131 -5.075 3.232 4.655 1.00 0.18 C ATOM 1278 O HIS A2131 -6.120 3.863 4.525 1.00 0.19 O ATOM 1279 CB HIS A2131 -3.042 4.082 5.842 1.00 0.23 C ATOM 1280 CG HIS A2131 -3.291 5.499 5.433 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -4.071 6.369 6.162 1.00 0.32 N ATOM 1282 CD2 HIS A2131 -2.872 6.189 4.351 1.00 0.27 C ATOM 1283 CE1 HIS A2131 -4.124 7.532 5.544 1.00 0.35 C ATOM 1284 NE2 HIS A2131 -3.402 7.455 4.439 1.00 0.31 N ATOM 0 H HIS A2131 -3.027 1.695 6.494 1.00 0.16 H new ATOM 0 HA HIS A2131 -4.970 3.732 6.719 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.509 4.074 6.793 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.391 3.608 5.108 1.00 0.23 H new ATOM 0 HD1 HIS A2131 -4.535 6.148 7.043 1.00 0.32 H new ATOM 0 HD2 HIS A2131 -2.237 5.815 3.561 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -4.666 8.402 5.883 1.00 0.35 H new ATOM 1293 N LEU A2132 -4.543 2.518 3.672 1.00 0.19 N ATOM 1294 CA LEU A2132 -5.197 2.419 2.377 1.00 0.21 C ATOM 1295 C LEU A2132 -6.580 1.786 2.504 1.00 0.21 C ATOM 1296 O LEU A2132 -7.500 2.165 1.786 1.00 0.26 O ATOM 1297 CB LEU A2132 -4.336 1.646 1.370 1.00 0.26 C ATOM 1298 CG LEU A2132 -3.129 2.419 0.813 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -3.538 3.826 0.426 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -1.996 2.472 1.816 1.00 0.64 C ATOM 0 H LEU A2132 -3.666 2.002 3.747 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.322 3.434 1.999 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -3.975 0.735 1.848 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -4.967 1.339 0.536 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.776 1.889 -0.072 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -2.673 4.361 0.033 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -4.315 3.782 -0.337 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -3.920 4.348 1.303 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -1.159 3.025 1.390 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -2.337 2.970 2.724 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -1.676 1.458 2.057 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.742 0.863 3.449 1.00 0.20 N ATOM 1313 CA HIS A2133 -8.041 0.242 3.683 1.00 0.21 C ATOM 1314 C HIS A2133 -9.022 1.291 4.157 1.00 0.21 C ATOM 1315 O HIS A2133 -10.193 1.289 3.780 1.00 0.27 O ATOM 1316 CB HIS A2133 -7.940 -0.886 4.718 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.238 -1.605 4.939 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.792 -1.797 6.184 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -10.102 -2.164 4.055 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -10.936 -2.442 6.061 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -11.149 -2.676 4.780 1.00 0.31 N ATOM 0 H HIS A2133 -5.996 0.531 4.060 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.389 -0.193 2.746 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -7.186 -1.603 4.392 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.596 -0.471 5.665 1.00 0.21 H new ATOM 0 HD2 HIS A2133 -9.987 -2.200 2.982 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.588 -2.730 6.872 1.00 0.30 H new ATOM 0 HE2 HIS A2133 -11.959 -3.159 4.392 1.00 0.31 H new ATOM 1330 N THR A2134 -8.521 2.197 4.970 1.00 0.18 N ATOM 1331 CA THR A2134 -9.327 3.271 5.495 1.00 0.22 C ATOM 1332 C THR A2134 -9.719 4.253 4.387 1.00 0.26 C ATOM 1333 O THR A2134 -10.826 4.773 4.374 1.00 0.34 O ATOM 1334 CB THR A2134 -8.578 4.007 6.624 1.00 0.26 C ATOM 1335 OG1 THR A2134 -8.179 3.067 7.635 1.00 0.27 O ATOM 1336 CG2 THR A2134 -9.440 5.092 7.254 1.00 0.36 C ATOM 0 H THR A2134 -7.550 2.208 5.282 1.00 0.18 H new ATOM 0 HA THR A2134 -10.239 2.839 5.906 1.00 0.22 H new ATOM 0 HB THR A2134 -7.700 4.482 6.187 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.478 2.481 7.279 1.00 0.27 H new ATOM 0 HG21 THR A2134 -8.879 5.589 8.045 1.00 0.36 H new ATOM 0 HG22 THR A2134 -9.719 5.822 6.494 1.00 0.36 H new ATOM 0 HG23 THR A2134 -10.340 4.643 7.674 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.833 4.446 3.417 1.00 0.27 N ATOM 1345 CA ARG A2135 -9.024 5.470 2.410 1.00 0.32 C ATOM 1346 C ARG A2135 -10.191 5.142 1.477 1.00 0.40 C ATOM 1347 O ARG A2135 -10.978 6.025 1.139 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.734 5.657 1.621 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.576 6.125 2.477 1.00 0.28 C ATOM 1350 CD ARG A2135 -6.813 7.527 3.007 1.00 0.33 C ATOM 1351 NE ARG A2135 -6.299 8.559 2.107 1.00 0.85 N ATOM 1352 CZ ARG A2135 -6.290 9.861 2.400 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -6.826 10.289 3.534 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -5.763 10.738 1.554 1.00 1.64 N ATOM 0 H ARG A2135 -7.976 3.903 3.311 1.00 0.27 H new ATOM 0 HA ARG A2135 -9.276 6.402 2.915 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -7.467 4.714 1.144 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -7.904 6.381 0.824 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -6.437 5.437 3.311 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.657 6.106 1.891 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -7.882 7.680 3.157 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -6.336 7.629 3.982 1.00 0.33 H new ATOM 0 HE ARG A2135 -5.926 8.267 1.204 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -7.245 9.623 4.183 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -6.819 11.284 3.758 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -5.361 10.418 0.673 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -5.760 11.731 1.785 1.00 1.64 H new ATOM 1368 N LEU A2136 -10.305 3.881 1.048 1.00 0.41 N ATOM 1369 CA LEU A2136 -11.414 3.465 0.221 1.00 0.51 C ATOM 1370 C LEU A2136 -12.730 3.471 0.987 1.00 0.58 C ATOM 1371 O LEU A2136 -13.776 3.835 0.450 1.00 0.85 O ATOM 1372 CB LEU A2136 -11.162 2.068 -0.306 1.00 0.54 C ATOM 1373 CG LEU A2136 -10.142 1.960 -1.430 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -10.471 2.925 -2.557 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -8.727 2.172 -0.930 1.00 0.75 C ATOM 0 H LEU A2136 -9.638 3.141 1.266 1.00 0.41 H new ATOM 0 HA LEU A2136 -11.493 4.177 -0.600 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -10.830 1.442 0.522 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -12.108 1.656 -0.658 1.00 0.54 H new ATOM 0 HG LEU A2136 -10.198 0.945 -1.823 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -9.727 2.828 -3.348 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -11.458 2.694 -2.957 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -10.464 3.946 -2.175 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -8.030 2.087 -1.764 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -8.643 3.164 -0.487 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -8.489 1.418 -0.180 1.00 0.75 H new ATOM 1387 N THR A2137 -12.665 3.071 2.247 1.00 0.43 N ATOM 1388 CA THR A2137 -13.854 2.809 3.028 1.00 0.47 C ATOM 1389 C THR A2137 -14.456 4.084 3.617 1.00 0.54 C ATOM 1390 O THR A2137 -15.671 4.183 3.798 1.00 0.68 O ATOM 1391 CB THR A2137 -13.532 1.799 4.141 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.422 2.265 4.919 1.00 0.39 O ATOM 1393 CG2 THR A2137 -13.191 0.440 3.545 1.00 0.42 C ATOM 0 H THR A2137 -11.791 2.921 2.751 1.00 0.43 H new ATOM 0 HA THR A2137 -14.604 2.388 2.358 1.00 0.47 H new ATOM 0 HB THR A2137 -14.410 1.699 4.779 1.00 0.43 H new ATOM 0 HG1 THR A2137 -11.618 1.758 4.679 1.00 0.39 H new ATOM 0 HG21 THR A2137 -12.966 -0.263 4.347 1.00 0.42 H new ATOM 0 HG22 THR A2137 -14.040 0.072 2.968 1.00 0.42 H new ATOM 0 HG23 THR A2137 -12.323 0.536 2.893 1.00 0.42 H new ATOM 1401 N GLN A2138 -13.610 5.057 3.907 1.00 0.58 N ATOM 1402 CA GLN A2138 -14.062 6.330 4.431 1.00 0.69 C ATOM 1403 C GLN A2138 -14.606 7.207 3.310 1.00 0.88 C ATOM 1404 O GLN A2138 -14.202 7.071 2.152 1.00 1.05 O ATOM 1405 CB GLN A2138 -12.911 7.027 5.133 1.00 1.02 C ATOM 1406 CG GLN A2138 -12.396 6.267 6.339 1.00 0.66 C ATOM 1407 CD GLN A2138 -13.393 6.174 7.478 1.00 1.28 C ATOM 1408 OE1 GLN A2138 -14.188 7.211 7.665 1.00 1.87 O flip ATOM 1409 NE2 GLN A2138 -13.427 5.183 8.206 1.00 1.96 N flip ATOM 0 H GLN A2138 -12.600 4.987 3.787 1.00 0.58 H new ATOM 0 HA GLN A2138 -14.866 6.154 5.146 1.00 0.69 H new ATOM 0 HB2 GLN A2138 -12.094 7.168 4.425 1.00 1.02 H new ATOM 0 HB3 GLN A2138 -13.234 8.019 5.448 1.00 1.02 H new ATOM 0 HG2 GLN A2138 -12.118 5.260 6.030 1.00 0.66 H new ATOM 0 HG3 GLN A2138 -11.489 6.751 6.701 1.00 0.66 H new ATOM 0 HE21 GLN A2138 -12.797 4.400 8.031 1.00 1.96 H new ATOM 0 HE22 GLN A2138 -14.085 5.144 8.984 1.00 1.96 H new ATOM 1418 N SER A2139 -15.527 8.095 3.653 1.00 1.14 N ATOM 1419 CA SER A2139 -16.088 9.025 2.688 1.00 1.51 C ATOM 1420 C SER A2139 -15.109 10.165 2.425 1.00 1.92 C ATOM 1421 O SER A2139 -15.255 11.275 2.945 1.00 2.53 O ATOM 1422 CB SER A2139 -17.432 9.556 3.187 1.00 2.30 C ATOM 1423 OG SER A2139 -17.371 9.905 4.563 1.00 3.10 O ATOM 0 H SER A2139 -15.902 8.190 4.597 1.00 1.14 H new ATOM 0 HA SER A2139 -16.259 8.502 1.747 1.00 1.51 H new ATOM 0 HB2 SER A2139 -17.721 10.428 2.601 1.00 2.30 H new ATOM 0 HB3 SER A2139 -18.203 8.800 3.035 1.00 2.30 H new ATOM 0 HG SER A2139 -16.614 10.509 4.714 1.00 3.10 H new ATOM 1429 N HIS A2140 -14.093 9.866 1.633 1.00 2.46 N ATOM 1430 CA HIS A2140 -13.051 10.826 1.318 1.00 3.43 C ATOM 1431 C HIS A2140 -13.196 11.299 -0.123 1.00 3.95 C ATOM 1432 O HIS A2140 -12.546 10.711 -1.015 1.00 4.42 O ATOM 1433 CB HIS A2140 -11.678 10.187 1.547 1.00 4.34 C ATOM 1434 CG HIS A2140 -10.527 11.136 1.428 1.00 5.24 C ATOM 1435 ND1 HIS A2140 -9.755 11.248 0.292 1.00 6.03 N ATOM 1436 CD2 HIS A2140 -10.008 12.007 2.319 1.00 5.82 C ATOM 1437 CE1 HIS A2140 -8.811 12.147 0.492 1.00 6.90 C ATOM 1438 NE2 HIS A2140 -8.941 12.624 1.715 1.00 6.81 N ATOM 1439 OXT HIS A2140 -13.982 12.235 -0.367 1.00 4.31 O ATOM 0 H HIS A2140 -13.968 8.955 1.192 1.00 2.46 H new ATOM 0 HA HIS A2140 -13.145 11.693 1.972 1.00 3.43 H new ATOM 0 HB2 HIS A2140 -11.661 9.737 2.540 1.00 4.34 H new ATOM 0 HB3 HIS A2140 -11.543 9.379 0.828 1.00 4.34 H new ATOM 0 HD2 HIS A2140 -10.366 12.186 3.322 1.00 5.82 H new ATOM 0 HE1 HIS A2140 -8.059 12.443 -0.224 1.00 6.90 H new ATOM 0 HE2 HIS A2140 -8.346 13.334 2.142 1.00 6.81 H new TER 1448 HIS A2140