USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=22 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 Single : A2047 SER OG : rot 180:sc= 0 USER MOD Single : A2048 HIS : no HD1:sc= -0.0316 X(o=-0.032,f=0) USER MOD Single : A2049 MET CE :methyl -179:sc= -1.05 (180deg=-1.09) USER MOD Single : A2052 ASN : amide:sc= -0.0379 K(o=-0.038,f=-1.8!) USER MOD Single : A2055 SER OG : rot 70:sc= -0.993 USER MOD Single : A2057 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A2058 GLN : amide:sc= -1.61! C(o=-1.6!,f=-6.6!) USER MOD Single : A2059 GLN : amide:sc= -0.0403 X(o=-0.04,f=-0.28) USER MOD Single : A2060 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A2061 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A2062 THR OG1 : rot 78:sc= 0.941 USER MOD Single : A2065 THR OG1 : rot 75:sc= 1.26 USER MOD Single : A2071 THR OG1 : rot 149:sc= -0.465 USER MOD Single : A2073 THR OG1 : rot 87:sc= 1.1 USER MOD Single : A2077 HIS : no HD1:sc= -1.97 K(o=-2,f=-6.3!) USER MOD Single : A2078 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-3.9!) USER MOD Single : A2079 THR OG1 : rot 180:sc= 0 USER MOD Single : A2082 SER OG : rot -47:sc= 0.491 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot -168:sc= -1.44 USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot -150:sc= -0.142 USER MOD Single : A2104 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.5) USER MOD Single : A2105 THR OG1 : rot 72:sc= 0.597 USER MOD Single : A2107 THR OG1 : rot 88:sc= 0.807 USER MOD Single : A2108 HIS : no HD1:sc= -0.021 X(o=-0.021,f=-0.021) USER MOD Single : A2109 ASN : amide:sc= -2.2! X(o=-2.2!,f=-1.8) USER MOD Single : A2110 THR OG1 : rot 41:sc= -0.033 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.0645 USER MOD Single : A2122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2124 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2129 THR OG1 : rot 64:sc= 0.504 USER MOD Single : A2130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2131 HIS :FLIP no HD1:sc= -0.128 F(o=-1.5,f=-0.13) USER MOD Single : A2133 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-2.1!) USER MOD Single : A2134 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A2137 THR OG1 : rot -59:sc= 1.16 USER MOD Single : A2138 GLN : amide:sc= -0.041 K(o=-0.041,f=-1.2!) USER MOD Single : A2139 SER OG : rot 180:sc= -0.0144 USER MOD Single : A2140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A2046 13.980 -8.142 -8.854 1.00 6.58 N ATOM 2 CA GLY A2046 14.641 -6.813 -8.914 1.00 6.00 C ATOM 3 C GLY A2046 14.207 -5.900 -7.785 1.00 4.95 C ATOM 4 O GLY A2046 13.856 -4.742 -8.014 1.00 5.03 O ATOM 0 HA2 GLY A2046 15.722 -6.946 -8.875 1.00 6.00 H new ATOM 0 HA3 GLY A2046 14.412 -6.339 -9.869 1.00 6.00 H new ATOM 10 N SER A2047 14.236 -6.407 -6.559 1.00 4.27 N ATOM 11 CA SER A2047 13.774 -5.643 -5.411 1.00 3.35 C ATOM 12 C SER A2047 14.803 -5.667 -4.282 1.00 3.13 C ATOM 13 O SER A2047 14.458 -5.564 -3.107 1.00 3.47 O ATOM 14 CB SER A2047 12.438 -6.202 -4.923 1.00 3.02 C ATOM 15 OG SER A2047 11.534 -6.398 -6.002 1.00 3.54 O ATOM 0 H SER A2047 14.574 -7.343 -6.336 1.00 4.27 H new ATOM 0 HA SER A2047 13.640 -4.606 -5.719 1.00 3.35 H new ATOM 0 HB2 SER A2047 12.604 -7.149 -4.408 1.00 3.02 H new ATOM 0 HB3 SER A2047 11.998 -5.518 -4.197 1.00 3.02 H new ATOM 0 HG SER A2047 10.689 -6.758 -5.660 1.00 3.54 H new ATOM 21 N HIS A2048 16.073 -5.772 -4.650 1.00 3.12 N ATOM 22 CA HIS A2048 17.166 -5.730 -3.680 1.00 3.29 C ATOM 23 C HIS A2048 17.583 -4.288 -3.423 1.00 2.68 C ATOM 24 O HIS A2048 18.703 -3.998 -3.013 1.00 3.15 O ATOM 25 CB HIS A2048 18.349 -6.578 -4.145 1.00 4.29 C ATOM 26 CG HIS A2048 18.088 -8.046 -4.044 1.00 5.00 C ATOM 27 ND1 HIS A2048 19.027 -9.012 -4.324 1.00 5.92 N ATOM 28 CD2 HIS A2048 16.968 -8.705 -3.688 1.00 5.21 C ATOM 29 CE1 HIS A2048 18.493 -10.206 -4.144 1.00 6.67 C ATOM 30 NE2 HIS A2048 17.242 -10.047 -3.756 1.00 6.28 N ATOM 0 H HIS A2048 16.375 -5.887 -5.617 1.00 3.12 H new ATOM 0 HA HIS A2048 16.813 -6.157 -2.741 1.00 3.29 H new ATOM 0 HB2 HIS A2048 18.586 -6.327 -5.179 1.00 4.29 H new ATOM 0 HB3 HIS A2048 19.226 -6.328 -3.548 1.00 4.29 H new ATOM 0 HD2 HIS A2048 16.027 -8.258 -3.402 1.00 5.21 H new ATOM 0 HE1 HIS A2048 18.995 -11.151 -4.290 1.00 6.67 H new ATOM 0 HE2 HIS A2048 16.587 -10.799 -3.542 1.00 6.28 H new ATOM 39 N MET A2049 16.651 -3.393 -3.691 1.00 2.16 N ATOM 40 CA MET A2049 16.822 -1.961 -3.489 1.00 2.54 C ATOM 41 C MET A2049 16.715 -1.569 -2.017 1.00 3.09 C ATOM 42 O MET A2049 16.424 -0.414 -1.714 1.00 3.75 O ATOM 43 CB MET A2049 15.770 -1.193 -4.283 1.00 2.76 C ATOM 44 CG MET A2049 14.344 -1.655 -4.039 1.00 2.18 C ATOM 45 SD MET A2049 13.138 -0.696 -4.979 1.00 2.91 S ATOM 46 CE MET A2049 11.605 -1.475 -4.477 1.00 2.37 C ATOM 0 H MET A2049 15.735 -3.643 -4.063 1.00 2.16 H new ATOM 0 HA MET A2049 17.823 -1.706 -3.837 1.00 2.54 H new ATOM 0 HB2 MET A2049 15.844 -0.134 -4.034 1.00 2.76 H new ATOM 0 HB3 MET A2049 15.993 -1.287 -5.346 1.00 2.76 H new ATOM 0 HG2 MET A2049 14.255 -2.708 -4.307 1.00 2.18 H new ATOM 0 HG3 MET A2049 14.117 -1.577 -2.976 1.00 2.18 H new ATOM 0 HE1 MET A2049 10.770 -1.000 -4.991 1.00 2.37 H new ATOM 0 HE2 MET A2049 11.634 -2.534 -4.734 1.00 2.37 H new ATOM 0 HE3 MET A2049 11.477 -1.366 -3.400 1.00 2.37 H new ATOM 56 N ARG A2050 16.953 -2.522 -1.114 1.00 3.38 N ATOM 57 CA ARG A2050 16.636 -2.336 0.303 1.00 4.33 C ATOM 58 C ARG A2050 17.174 -1.017 0.868 1.00 4.19 C ATOM 59 O ARG A2050 16.426 -0.243 1.459 1.00 4.88 O ATOM 60 CB ARG A2050 17.163 -3.486 1.183 1.00 5.36 C ATOM 61 CG ARG A2050 17.524 -4.766 0.452 1.00 6.15 C ATOM 62 CD ARG A2050 18.929 -4.682 -0.098 1.00 6.73 C ATOM 63 NE ARG A2050 19.396 -5.955 -0.643 1.00 7.76 N ATOM 64 CZ ARG A2050 20.565 -6.119 -1.259 1.00 8.52 C ATOM 65 NH1 ARG A2050 21.393 -5.092 -1.407 1.00 8.48 N ATOM 66 NH2 ARG A2050 20.907 -7.317 -1.710 1.00 9.54 N ATOM 0 H ARG A2050 17.363 -3.429 -1.338 1.00 3.38 H new ATOM 0 HA ARG A2050 15.547 -2.321 0.337 1.00 4.33 H new ATOM 0 HB2 ARG A2050 18.045 -3.134 1.717 1.00 5.36 H new ATOM 0 HB3 ARG A2050 16.408 -3.719 1.933 1.00 5.36 H new ATOM 0 HG2 ARG A2050 17.443 -5.615 1.131 1.00 6.15 H new ATOM 0 HG3 ARG A2050 16.819 -4.939 -0.361 1.00 6.15 H new ATOM 0 HD2 ARG A2050 18.965 -3.922 -0.878 1.00 6.73 H new ATOM 0 HD3 ARG A2050 19.606 -4.359 0.693 1.00 6.73 H new ATOM 0 HE ARG A2050 18.789 -6.769 -0.545 1.00 7.76 H new ATOM 0 HH11 ARG A2050 21.135 -4.173 -1.048 1.00 8.48 H new ATOM 0 HH12 ARG A2050 22.288 -5.222 -1.880 1.00 8.48 H new ATOM 0 HH21 ARG A2050 20.276 -8.108 -1.585 1.00 9.54 H new ATOM 0 HH22 ARG A2050 21.801 -7.448 -2.183 1.00 9.54 H new ATOM 80 N LEU A2051 18.466 -0.765 0.701 1.00 3.64 N ATOM 81 CA LEU A2051 19.063 0.471 1.204 1.00 3.84 C ATOM 82 C LEU A2051 19.729 1.263 0.086 1.00 3.17 C ATOM 83 O LEU A2051 20.464 2.214 0.349 1.00 3.42 O ATOM 84 CB LEU A2051 20.095 0.188 2.311 1.00 4.74 C ATOM 85 CG LEU A2051 19.540 -0.146 3.706 1.00 5.66 C ATOM 86 CD1 LEU A2051 18.530 0.900 4.156 1.00 6.21 C ATOM 87 CD2 LEU A2051 18.926 -1.538 3.740 1.00 6.31 C ATOM 0 H LEU A2051 19.117 -1.391 0.227 1.00 3.64 H new ATOM 0 HA LEU A2051 18.249 1.064 1.622 1.00 3.84 H new ATOM 0 HB2 LEU A2051 20.722 -0.643 1.987 1.00 4.74 H new ATOM 0 HB3 LEU A2051 20.743 1.060 2.403 1.00 4.74 H new ATOM 0 HG LEU A2051 20.377 -0.134 4.404 1.00 5.66 H new ATOM 0 HD11 LEU A2051 18.153 0.640 5.145 1.00 6.21 H new ATOM 0 HD12 LEU A2051 19.012 1.877 4.196 1.00 6.21 H new ATOM 0 HD13 LEU A2051 17.701 0.933 3.449 1.00 6.21 H new ATOM 0 HD21 LEU A2051 18.543 -1.743 4.740 1.00 6.31 H new ATOM 0 HD22 LEU A2051 18.109 -1.593 3.021 1.00 6.31 H new ATOM 0 HD23 LEU A2051 19.685 -2.277 3.484 1.00 6.31 H new ATOM 99 N ASN A2052 19.468 0.890 -1.158 1.00 2.84 N ATOM 100 CA ASN A2052 20.178 1.496 -2.281 1.00 3.03 C ATOM 101 C ASN A2052 19.646 2.889 -2.583 1.00 2.88 C ATOM 102 O ASN A2052 18.498 3.045 -2.998 1.00 2.92 O ATOM 103 CB ASN A2052 20.054 0.630 -3.540 1.00 3.65 C ATOM 104 CG ASN A2052 20.819 -0.676 -3.448 1.00 4.17 C ATOM 105 OD1 ASN A2052 20.978 -1.248 -2.373 1.00 4.47 O ATOM 106 ND2 ASN A2052 21.299 -1.156 -4.581 1.00 4.71 N ATOM 0 H ASN A2052 18.781 0.182 -1.416 1.00 2.84 H new ATOM 0 HA ASN A2052 21.227 1.570 -1.994 1.00 3.03 H new ATOM 0 HB2 ASN A2052 19.001 0.414 -3.722 1.00 3.65 H new ATOM 0 HB3 ASN A2052 20.416 1.195 -4.399 1.00 3.65 H new ATOM 0 HD21 ASN A2052 21.823 -2.031 -4.583 1.00 4.71 H new ATOM 0 HD22 ASN A2052 21.146 -0.651 -5.454 1.00 4.71 H new ATOM 113 N GLY A2053 20.504 3.893 -2.398 1.00 3.23 N ATOM 114 CA GLY A2053 20.173 5.276 -2.730 1.00 3.43 C ATOM 115 C GLY A2053 19.046 5.874 -1.897 1.00 2.89 C ATOM 116 O GLY A2053 18.823 7.084 -1.934 1.00 2.97 O ATOM 0 H GLY A2053 21.442 3.770 -2.016 1.00 3.23 H new ATOM 0 HA2 GLY A2053 21.065 5.890 -2.605 1.00 3.43 H new ATOM 0 HA3 GLY A2053 19.896 5.327 -3.783 1.00 3.43 H new ATOM 120 N LEU A2054 18.339 5.039 -1.153 1.00 2.44 N ATOM 121 CA LEU A2054 17.148 5.457 -0.444 1.00 2.06 C ATOM 122 C LEU A2054 17.422 5.702 1.041 1.00 1.93 C ATOM 123 O LEU A2054 18.066 4.894 1.714 1.00 2.10 O ATOM 124 CB LEU A2054 16.058 4.394 -0.645 1.00 1.96 C ATOM 125 CG LEU A2054 15.433 3.825 0.619 1.00 2.68 C ATOM 126 CD1 LEU A2054 14.306 4.709 1.091 1.00 3.19 C ATOM 127 CD2 LEU A2054 14.952 2.415 0.369 1.00 3.31 C ATOM 0 H LEU A2054 18.577 4.055 -1.026 1.00 2.44 H new ATOM 0 HA LEU A2054 16.809 6.410 -0.850 1.00 2.06 H new ATOM 0 HB2 LEU A2054 15.265 4.828 -1.254 1.00 1.96 H new ATOM 0 HB3 LEU A2054 16.485 3.570 -1.217 1.00 1.96 H new ATOM 0 HG LEU A2054 16.186 3.794 1.406 1.00 2.68 H new ATOM 0 HD11 LEU A2054 13.869 4.289 1.997 1.00 3.19 H new ATOM 0 HD12 LEU A2054 14.690 5.707 1.303 1.00 3.19 H new ATOM 0 HD13 LEU A2054 13.543 4.772 0.315 1.00 3.19 H new ATOM 0 HD21 LEU A2054 14.506 2.016 1.280 1.00 3.31 H new ATOM 0 HD22 LEU A2054 14.208 2.420 -0.427 1.00 3.31 H new ATOM 0 HD23 LEU A2054 15.795 1.790 0.074 1.00 3.31 H new ATOM 139 N SER A2055 16.952 6.841 1.525 1.00 1.75 N ATOM 140 CA SER A2055 16.896 7.117 2.951 1.00 1.71 C ATOM 141 C SER A2055 15.462 6.853 3.408 1.00 1.44 C ATOM 142 O SER A2055 14.538 7.157 2.664 1.00 1.25 O ATOM 143 CB SER A2055 17.306 8.570 3.229 1.00 1.78 C ATOM 144 OG SER A2055 17.436 8.820 4.618 1.00 2.08 O ATOM 0 H SER A2055 16.599 7.599 0.941 1.00 1.75 H new ATOM 0 HA SER A2055 17.588 6.478 3.499 1.00 1.71 H new ATOM 0 HB2 SER A2055 18.252 8.783 2.731 1.00 1.78 H new ATOM 0 HB3 SER A2055 16.563 9.246 2.805 1.00 1.78 H new ATOM 0 HG SER A2055 18.222 8.348 4.963 1.00 2.08 H new ATOM 150 N PRO A2056 15.257 6.303 4.622 1.00 1.48 N ATOM 151 CA PRO A2056 13.965 5.753 5.072 1.00 1.29 C ATOM 152 C PRO A2056 12.718 6.501 4.578 1.00 1.09 C ATOM 153 O PRO A2056 11.797 5.875 4.045 1.00 0.87 O ATOM 154 CB PRO A2056 14.076 5.859 6.587 1.00 1.53 C ATOM 155 CG PRO A2056 15.523 5.646 6.871 1.00 1.78 C ATOM 156 CD PRO A2056 16.286 6.156 5.670 1.00 1.78 C ATOM 0 HA PRO A2056 13.817 4.749 4.674 1.00 1.29 H new ATOM 0 HB2 PRO A2056 13.741 6.834 6.942 1.00 1.53 H new ATOM 0 HB3 PRO A2056 13.460 5.110 7.084 1.00 1.53 H new ATOM 0 HG2 PRO A2056 15.822 6.179 7.773 1.00 1.78 H new ATOM 0 HG3 PRO A2056 15.732 4.590 7.041 1.00 1.78 H new ATOM 0 HD2 PRO A2056 16.775 7.106 5.883 1.00 1.78 H new ATOM 0 HD3 PRO A2056 17.066 5.457 5.367 1.00 1.78 H new ATOM 164 N GLN A2057 12.693 7.825 4.725 1.00 1.22 N ATOM 165 CA GLN A2057 11.510 8.611 4.364 1.00 1.17 C ATOM 166 C GLN A2057 11.238 8.596 2.855 1.00 1.01 C ATOM 167 O GLN A2057 10.090 8.720 2.432 1.00 0.95 O ATOM 168 CB GLN A2057 11.642 10.053 4.846 1.00 1.44 C ATOM 169 CG GLN A2057 11.725 10.192 6.358 1.00 1.66 C ATOM 170 CD GLN A2057 11.738 11.639 6.815 1.00 2.02 C ATOM 171 OE1 GLN A2057 11.156 12.516 6.175 1.00 2.32 O ATOM 172 NE2 GLN A2057 12.411 11.903 7.922 1.00 2.40 N ATOM 0 H GLN A2057 13.472 8.374 5.089 1.00 1.22 H new ATOM 0 HA GLN A2057 10.663 8.140 4.863 1.00 1.17 H new ATOM 0 HB2 GLN A2057 12.534 10.494 4.401 1.00 1.44 H new ATOM 0 HB3 GLN A2057 10.788 10.626 4.485 1.00 1.44 H new ATOM 0 HG2 GLN A2057 10.877 9.680 6.813 1.00 1.66 H new ATOM 0 HG3 GLN A2057 12.627 9.695 6.715 1.00 1.66 H new ATOM 0 HE21 GLN A2057 12.880 11.150 8.425 1.00 2.40 H new ATOM 0 HE22 GLN A2057 12.461 12.859 8.273 1.00 2.40 H new ATOM 181 N GLN A2058 12.286 8.418 2.054 1.00 1.07 N ATOM 182 CA GLN A2058 12.166 8.461 0.594 1.00 1.08 C ATOM 183 C GLN A2058 11.199 7.401 0.075 1.00 0.89 C ATOM 184 O GLN A2058 10.300 7.697 -0.714 1.00 0.84 O ATOM 185 CB GLN A2058 13.532 8.274 -0.068 1.00 1.36 C ATOM 186 CG GLN A2058 14.516 9.404 0.201 1.00 1.58 C ATOM 187 CD GLN A2058 14.088 10.728 -0.410 1.00 1.86 C ATOM 188 OE1 GLN A2058 12.899 11.022 -0.540 1.00 2.40 O ATOM 189 NE2 GLN A2058 15.059 11.540 -0.789 1.00 2.23 N ATOM 0 H GLN A2058 13.233 8.242 2.391 1.00 1.07 H new ATOM 0 HA GLN A2058 11.770 9.443 0.335 1.00 1.08 H new ATOM 0 HB2 GLN A2058 13.967 7.338 0.281 1.00 1.36 H new ATOM 0 HB3 GLN A2058 13.391 8.178 -1.145 1.00 1.36 H new ATOM 0 HG2 GLN A2058 14.631 9.528 1.278 1.00 1.58 H new ATOM 0 HG3 GLN A2058 15.494 9.128 -0.194 1.00 1.58 H new ATOM 0 HE21 GLN A2058 16.033 11.263 -0.666 1.00 2.23 H new ATOM 0 HE22 GLN A2058 14.835 12.444 -1.205 1.00 2.23 H new ATOM 198 N GLN A2059 11.383 6.160 0.495 1.00 0.87 N ATOM 199 CA GLN A2059 10.461 5.112 0.101 1.00 0.75 C ATOM 200 C GLN A2059 9.140 5.241 0.844 1.00 0.58 C ATOM 201 O GLN A2059 8.096 4.955 0.285 1.00 0.54 O ATOM 202 CB GLN A2059 11.078 3.732 0.297 1.00 0.80 C ATOM 203 CG GLN A2059 11.917 3.297 -0.895 1.00 1.17 C ATOM 204 CD GLN A2059 11.075 2.829 -2.059 1.00 1.86 C ATOM 205 OE1 GLN A2059 10.673 3.622 -2.908 1.00 2.83 O ATOM 206 NE2 GLN A2059 10.805 1.538 -2.114 1.00 1.87 N ATOM 0 H GLN A2059 12.149 5.859 1.098 1.00 0.87 H new ATOM 0 HA GLN A2059 10.255 5.229 -0.963 1.00 0.75 H new ATOM 0 HB2 GLN A2059 11.700 3.739 1.192 1.00 0.80 H new ATOM 0 HB3 GLN A2059 10.285 3.003 0.465 1.00 0.80 H new ATOM 0 HG2 GLN A2059 12.544 4.129 -1.216 1.00 1.17 H new ATOM 0 HG3 GLN A2059 12.586 2.493 -0.589 1.00 1.17 H new ATOM 0 HE21 GLN A2059 11.157 0.912 -1.390 1.00 1.87 H new ATOM 0 HE22 GLN A2059 10.244 1.166 -2.881 1.00 1.87 H new ATOM 215 N GLN A2060 9.174 5.691 2.092 1.00 0.54 N ATOM 216 CA GLN A2060 7.944 5.891 2.842 1.00 0.45 C ATOM 217 C GLN A2060 7.011 6.880 2.150 1.00 0.44 C ATOM 218 O GLN A2060 5.814 6.641 2.084 1.00 0.42 O ATOM 219 CB GLN A2060 8.241 6.344 4.265 1.00 0.55 C ATOM 220 CG GLN A2060 8.949 5.279 5.076 1.00 0.57 C ATOM 221 CD GLN A2060 9.071 5.639 6.542 1.00 0.81 C ATOM 222 OE1 GLN A2060 8.217 6.329 7.099 1.00 1.38 O ATOM 223 NE2 GLN A2060 10.133 5.174 7.178 1.00 1.01 N ATOM 0 H GLN A2060 10.028 5.921 2.599 1.00 0.54 H new ATOM 0 HA GLN A2060 7.433 4.929 2.883 1.00 0.45 H new ATOM 0 HB2 GLN A2060 8.856 7.243 4.236 1.00 0.55 H new ATOM 0 HB3 GLN A2060 7.308 6.613 4.760 1.00 0.55 H new ATOM 0 HG2 GLN A2060 8.407 4.338 4.982 1.00 0.57 H new ATOM 0 HG3 GLN A2060 9.944 5.117 4.663 1.00 0.57 H new ATOM 0 HE21 GLN A2060 10.818 4.605 6.680 1.00 1.01 H new ATOM 0 HE22 GLN A2060 10.268 5.384 8.167 1.00 1.01 H new ATOM 232 N GLN A2061 7.545 7.977 1.621 1.00 0.58 N ATOM 233 CA GLN A2061 6.702 8.931 0.907 1.00 0.61 C ATOM 234 C GLN A2061 6.197 8.319 -0.394 1.00 0.51 C ATOM 235 O GLN A2061 5.045 8.514 -0.779 1.00 0.45 O ATOM 236 CB GLN A2061 7.434 10.246 0.631 1.00 0.83 C ATOM 237 CG GLN A2061 8.710 10.109 -0.169 1.00 0.89 C ATOM 238 CD GLN A2061 9.372 11.445 -0.437 1.00 1.29 C ATOM 239 OE1 GLN A2061 9.261 12.376 0.360 1.00 1.75 O ATOM 240 NE2 GLN A2061 10.060 11.552 -1.560 1.00 1.97 N ATOM 0 H GLN A2061 8.533 8.224 1.670 1.00 0.58 H new ATOM 0 HA GLN A2061 5.851 9.161 1.547 1.00 0.61 H new ATOM 0 HB2 GLN A2061 6.759 10.916 0.099 1.00 0.83 H new ATOM 0 HB3 GLN A2061 7.669 10.721 1.584 1.00 0.83 H new ATOM 0 HG2 GLN A2061 9.405 9.464 0.369 1.00 0.89 H new ATOM 0 HG3 GLN A2061 8.490 9.619 -1.118 1.00 0.89 H new ATOM 0 HE21 GLN A2061 10.128 10.756 -2.194 1.00 1.97 H new ATOM 0 HE22 GLN A2061 10.523 12.430 -1.793 1.00 1.97 H new ATOM 249 N THR A2062 7.071 7.579 -1.058 1.00 0.53 N ATOM 250 CA THR A2062 6.704 6.827 -2.250 1.00 0.50 C ATOM 251 C THR A2062 5.549 5.875 -1.956 1.00 0.39 C ATOM 252 O THR A2062 4.481 5.980 -2.549 1.00 0.42 O ATOM 253 CB THR A2062 7.907 6.024 -2.788 1.00 0.59 C ATOM 254 OG1 THR A2062 8.983 6.918 -3.108 1.00 0.74 O ATOM 255 CG2 THR A2062 7.520 5.216 -4.021 1.00 0.83 C ATOM 0 H THR A2062 8.050 7.482 -0.789 1.00 0.53 H new ATOM 0 HA THR A2062 6.390 7.545 -3.008 1.00 0.50 H new ATOM 0 HB THR A2062 8.229 5.328 -2.013 1.00 0.59 H new ATOM 0 HG1 THR A2062 9.438 7.190 -2.284 1.00 0.74 H new ATOM 0 HG21 THR A2062 8.387 4.660 -4.379 1.00 0.83 H new ATOM 0 HG22 THR A2062 6.723 4.519 -3.764 1.00 0.83 H new ATOM 0 HG23 THR A2062 7.173 5.890 -4.804 1.00 0.83 H new ATOM 263 N LEU A2063 5.777 4.963 -1.027 1.00 0.37 N ATOM 264 CA LEU A2063 4.799 3.974 -0.630 1.00 0.29 C ATOM 265 C LEU A2063 3.517 4.611 -0.097 1.00 0.22 C ATOM 266 O LEU A2063 2.428 4.113 -0.365 1.00 0.21 O ATOM 267 CB LEU A2063 5.434 3.058 0.412 1.00 0.30 C ATOM 268 CG LEU A2063 6.390 1.996 -0.151 1.00 0.53 C ATOM 269 CD1 LEU A2063 7.360 2.572 -1.178 1.00 0.92 C ATOM 270 CD2 LEU A2063 7.159 1.333 0.983 1.00 0.79 C ATOM 0 H LEU A2063 6.660 4.890 -0.522 1.00 0.37 H new ATOM 0 HA LEU A2063 4.506 3.395 -1.506 1.00 0.29 H new ATOM 0 HB2 LEU A2063 5.979 3.672 1.129 1.00 0.30 H new ATOM 0 HB3 LEU A2063 4.640 2.554 0.963 1.00 0.30 H new ATOM 0 HG LEU A2063 5.781 1.252 -0.666 1.00 0.53 H new ATOM 0 HD11 LEU A2063 8.014 1.781 -1.545 1.00 0.92 H new ATOM 0 HD12 LEU A2063 6.799 2.995 -2.011 1.00 0.92 H new ATOM 0 HD13 LEU A2063 7.962 3.353 -0.712 1.00 0.92 H new ATOM 0 HD21 LEU A2063 7.834 0.581 0.574 1.00 0.79 H new ATOM 0 HD22 LEU A2063 7.736 2.086 1.520 1.00 0.79 H new ATOM 0 HD23 LEU A2063 6.458 0.856 1.668 1.00 0.79 H new ATOM 282 N ALA A2064 3.646 5.714 0.638 1.00 0.25 N ATOM 283 CA ALA A2064 2.482 6.435 1.150 1.00 0.27 C ATOM 284 C ALA A2064 1.659 7.012 0.006 1.00 0.25 C ATOM 285 O ALA A2064 0.435 7.100 0.085 1.00 0.30 O ATOM 286 CB ALA A2064 2.907 7.543 2.102 1.00 0.37 C ATOM 0 H ALA A2064 4.543 6.127 0.892 1.00 0.25 H new ATOM 0 HA ALA A2064 1.864 5.726 1.700 1.00 0.27 H new ATOM 0 HB1 ALA A2064 2.024 8.065 2.470 1.00 0.37 H new ATOM 0 HB2 ALA A2064 3.450 7.112 2.943 1.00 0.37 H new ATOM 0 HB3 ALA A2064 3.552 8.247 1.576 1.00 0.37 H new ATOM 292 N THR A2065 2.338 7.383 -1.066 1.00 0.24 N ATOM 293 CA THR A2065 1.667 7.917 -2.233 1.00 0.27 C ATOM 294 C THR A2065 1.153 6.767 -3.087 1.00 0.24 C ATOM 295 O THR A2065 0.091 6.854 -3.697 1.00 0.29 O ATOM 296 CB THR A2065 2.606 8.817 -3.056 1.00 0.35 C ATOM 297 OG1 THR A2065 3.189 9.815 -2.204 1.00 0.40 O ATOM 298 CG2 THR A2065 1.853 9.496 -4.190 1.00 0.42 C ATOM 0 H THR A2065 3.353 7.323 -1.150 1.00 0.24 H new ATOM 0 HA THR A2065 0.829 8.531 -1.903 1.00 0.27 H new ATOM 0 HB THR A2065 3.390 8.193 -3.485 1.00 0.35 H new ATOM 0 HG1 THR A2065 3.883 9.405 -1.647 1.00 0.40 H new ATOM 0 HG21 THR A2065 2.539 10.126 -4.756 1.00 0.42 H new ATOM 0 HG22 THR A2065 1.428 8.739 -4.849 1.00 0.42 H new ATOM 0 HG23 THR A2065 1.052 10.110 -3.778 1.00 0.42 H new ATOM 306 N LEU A2066 1.919 5.681 -3.100 1.00 0.21 N ATOM 307 CA LEU A2066 1.522 4.451 -3.763 1.00 0.21 C ATOM 308 C LEU A2066 0.208 3.943 -3.211 1.00 0.18 C ATOM 309 O LEU A2066 -0.761 3.814 -3.939 1.00 0.20 O ATOM 310 CB LEU A2066 2.594 3.377 -3.575 1.00 0.24 C ATOM 311 CG LEU A2066 2.156 1.943 -3.904 1.00 0.30 C ATOM 312 CD1 LEU A2066 1.557 1.859 -5.303 1.00 0.37 C ATOM 313 CD2 LEU A2066 3.331 0.983 -3.767 1.00 0.36 C ATOM 0 H LEU A2066 2.833 5.632 -2.650 1.00 0.21 H new ATOM 0 HA LEU A2066 1.403 4.666 -4.825 1.00 0.21 H new ATOM 0 HB2 LEU A2066 3.450 3.629 -4.200 1.00 0.24 H new ATOM 0 HB3 LEU A2066 2.935 3.406 -2.540 1.00 0.24 H new ATOM 0 HG LEU A2066 1.384 1.654 -3.191 1.00 0.30 H new ATOM 0 HD11 LEU A2066 1.256 0.832 -5.509 1.00 0.37 H new ATOM 0 HD12 LEU A2066 0.687 2.512 -5.366 1.00 0.37 H new ATOM 0 HD13 LEU A2066 2.300 2.173 -6.036 1.00 0.37 H new ATOM 0 HD21 LEU A2066 3.003 -0.029 -4.004 1.00 0.36 H new ATOM 0 HD22 LEU A2066 4.124 1.278 -4.454 1.00 0.36 H new ATOM 0 HD23 LEU A2066 3.708 1.013 -2.745 1.00 0.36 H new ATOM 325 N VAL A2067 0.197 3.649 -1.923 1.00 0.17 N ATOM 326 CA VAL A2067 -0.985 3.102 -1.271 1.00 0.18 C ATOM 327 C VAL A2067 -2.204 4.003 -1.478 1.00 0.19 C ATOM 328 O VAL A2067 -3.304 3.520 -1.756 1.00 0.22 O ATOM 329 CB VAL A2067 -0.745 2.860 0.233 1.00 0.21 C ATOM 330 CG1 VAL A2067 -0.342 4.138 0.951 1.00 0.51 C ATOM 331 CG2 VAL A2067 -1.984 2.268 0.864 1.00 0.64 C ATOM 0 H VAL A2067 0.996 3.780 -1.303 1.00 0.17 H new ATOM 0 HA VAL A2067 -1.188 2.139 -1.739 1.00 0.18 H new ATOM 0 HB VAL A2067 0.081 2.156 0.332 1.00 0.21 H new ATOM 0 HG11 VAL A2067 -0.182 3.926 2.008 1.00 0.51 H new ATOM 0 HG12 VAL A2067 0.579 4.525 0.515 1.00 0.51 H new ATOM 0 HG13 VAL A2067 -1.134 4.880 0.845 1.00 0.51 H new ATOM 0 HG21 VAL A2067 -1.807 2.100 1.926 1.00 0.64 H new ATOM 0 HG22 VAL A2067 -2.820 2.957 0.740 1.00 0.64 H new ATOM 0 HG23 VAL A2067 -2.221 1.320 0.381 1.00 0.64 H new ATOM 341 N ALA A2068 -1.998 5.305 -1.361 1.00 0.19 N ATOM 342 CA ALA A2068 -3.049 6.267 -1.631 1.00 0.23 C ATOM 343 C ALA A2068 -3.492 6.188 -3.088 1.00 0.23 C ATOM 344 O ALA A2068 -4.676 6.023 -3.372 1.00 0.29 O ATOM 345 CB ALA A2068 -2.586 7.672 -1.292 1.00 0.27 C ATOM 0 H ALA A2068 -1.109 5.719 -1.080 1.00 0.19 H new ATOM 0 HA ALA A2068 -3.904 6.024 -1.000 1.00 0.23 H new ATOM 0 HB1 ALA A2068 -3.388 8.380 -1.501 1.00 0.27 H new ATOM 0 HB2 ALA A2068 -2.323 7.723 -0.235 1.00 0.27 H new ATOM 0 HB3 ALA A2068 -1.714 7.923 -1.896 1.00 0.27 H new ATOM 351 N ALA A2069 -2.541 6.281 -4.009 1.00 0.20 N ATOM 352 CA ALA A2069 -2.853 6.223 -5.429 1.00 0.22 C ATOM 353 C ALA A2069 -3.451 4.875 -5.788 1.00 0.23 C ATOM 354 O ALA A2069 -4.256 4.771 -6.705 1.00 0.29 O ATOM 355 CB ALA A2069 -1.614 6.507 -6.258 1.00 0.25 C ATOM 0 H ALA A2069 -1.550 6.397 -3.798 1.00 0.20 H new ATOM 0 HA ALA A2069 -3.593 6.991 -5.653 1.00 0.22 H new ATOM 0 HB1 ALA A2069 -1.866 6.459 -7.317 1.00 0.25 H new ATOM 0 HB2 ALA A2069 -1.236 7.501 -6.019 1.00 0.25 H new ATOM 0 HB3 ALA A2069 -0.848 5.765 -6.034 1.00 0.25 H new ATOM 361 N ALA A2070 -3.063 3.852 -5.048 1.00 0.21 N ATOM 362 CA ALA A2070 -3.614 2.531 -5.223 1.00 0.24 C ATOM 363 C ALA A2070 -5.098 2.553 -4.907 1.00 0.26 C ATOM 364 O ALA A2070 -5.927 2.356 -5.791 1.00 0.34 O ATOM 365 CB ALA A2070 -2.899 1.527 -4.337 1.00 0.25 C ATOM 0 H ALA A2070 -2.359 3.918 -4.313 1.00 0.21 H new ATOM 0 HA ALA A2070 -3.472 2.225 -6.260 1.00 0.24 H new ATOM 0 HB1 ALA A2070 -3.331 0.538 -4.486 1.00 0.25 H new ATOM 0 HB2 ALA A2070 -1.840 1.503 -4.595 1.00 0.25 H new ATOM 0 HB3 ALA A2070 -3.011 1.819 -3.293 1.00 0.25 H new ATOM 371 N THR A2071 -5.423 2.878 -3.657 1.00 0.24 N ATOM 372 CA THR A2071 -6.795 2.815 -3.177 1.00 0.28 C ATOM 373 C THR A2071 -7.675 3.812 -3.914 1.00 0.31 C ATOM 374 O THR A2071 -8.849 3.548 -4.193 1.00 0.37 O ATOM 375 CB THR A2071 -6.859 3.064 -1.655 1.00 0.30 C ATOM 376 OG1 THR A2071 -8.156 2.742 -1.150 1.00 0.38 O ATOM 377 CG2 THR A2071 -6.534 4.501 -1.299 1.00 0.29 C ATOM 0 H THR A2071 -4.748 3.189 -2.958 1.00 0.24 H new ATOM 0 HA THR A2071 -7.171 1.812 -3.377 1.00 0.28 H new ATOM 0 HB THR A2071 -6.109 2.418 -1.198 1.00 0.30 H new ATOM 0 HG1 THR A2071 -8.077 2.418 -0.229 1.00 0.38 H new ATOM 0 HG21 THR A2071 -6.591 4.630 -0.218 1.00 0.29 H new ATOM 0 HG22 THR A2071 -5.527 4.742 -1.640 1.00 0.29 H new ATOM 0 HG23 THR A2071 -7.250 5.166 -1.782 1.00 0.29 H new ATOM 385 N ALA A2072 -7.090 4.944 -4.259 1.00 0.31 N ATOM 386 CA ALA A2072 -7.810 5.967 -4.979 1.00 0.40 C ATOM 387 C ALA A2072 -8.168 5.497 -6.377 1.00 0.42 C ATOM 388 O ALA A2072 -9.164 5.936 -6.932 1.00 0.54 O ATOM 389 CB ALA A2072 -7.015 7.261 -5.038 1.00 0.47 C ATOM 0 H ALA A2072 -6.118 5.174 -4.050 1.00 0.31 H new ATOM 0 HA ALA A2072 -8.735 6.164 -4.437 1.00 0.40 H new ATOM 0 HB1 ALA A2072 -7.583 8.012 -5.586 1.00 0.47 H new ATOM 0 HB2 ALA A2072 -6.825 7.617 -4.026 1.00 0.47 H new ATOM 0 HB3 ALA A2072 -6.066 7.082 -5.544 1.00 0.47 H new ATOM 395 N THR A2073 -7.368 4.590 -6.928 1.00 0.36 N ATOM 396 CA THR A2073 -7.593 4.094 -8.280 1.00 0.40 C ATOM 397 C THR A2073 -8.485 2.850 -8.295 1.00 0.29 C ATOM 398 O THR A2073 -9.281 2.671 -9.217 1.00 0.34 O ATOM 399 CB THR A2073 -6.260 3.796 -8.991 1.00 0.49 C ATOM 400 OG1 THR A2073 -5.431 4.965 -8.973 1.00 0.60 O ATOM 401 CG2 THR A2073 -6.487 3.369 -10.434 1.00 0.58 C ATOM 0 H THR A2073 -6.558 4.184 -6.459 1.00 0.36 H new ATOM 0 HA THR A2073 -8.112 4.885 -8.822 1.00 0.40 H new ATOM 0 HB THR A2073 -5.771 2.979 -8.460 1.00 0.49 H new ATOM 0 HG1 THR A2073 -4.915 4.987 -8.140 1.00 0.60 H new ATOM 0 HG21 THR A2073 -5.527 3.166 -10.909 1.00 0.58 H new ATOM 0 HG22 THR A2073 -7.100 2.468 -10.455 1.00 0.58 H new ATOM 0 HG23 THR A2073 -6.997 4.167 -10.974 1.00 0.58 H new ATOM 409 N VAL A2074 -8.374 1.999 -7.273 1.00 0.20 N ATOM 410 CA VAL A2074 -9.214 0.798 -7.201 1.00 0.22 C ATOM 411 C VAL A2074 -10.676 1.221 -7.160 1.00 0.27 C ATOM 412 O VAL A2074 -11.557 0.559 -7.711 1.00 0.41 O ATOM 413 CB VAL A2074 -8.885 -0.111 -5.978 1.00 0.27 C ATOM 414 CG1 VAL A2074 -7.415 -0.079 -5.673 1.00 0.78 C ATOM 415 CG2 VAL A2074 -9.659 0.265 -4.731 1.00 0.72 C ATOM 0 H VAL A2074 -7.723 2.114 -6.496 1.00 0.20 H new ATOM 0 HA VAL A2074 -9.008 0.200 -8.089 1.00 0.22 H new ATOM 0 HB VAL A2074 -9.189 -1.118 -6.263 1.00 0.27 H new ATOM 0 HG11 VAL A2074 -7.207 -0.720 -4.816 1.00 0.78 H new ATOM 0 HG12 VAL A2074 -6.856 -0.437 -6.538 1.00 0.78 H new ATOM 0 HG13 VAL A2074 -7.113 0.943 -5.443 1.00 0.78 H new ATOM 0 HG21 VAL A2074 -9.385 -0.405 -3.916 1.00 0.72 H new ATOM 0 HG22 VAL A2074 -9.422 1.292 -4.451 1.00 0.72 H new ATOM 0 HG23 VAL A2074 -10.728 0.180 -4.927 1.00 0.72 H new ATOM 425 N LEU A2075 -10.902 2.339 -6.489 1.00 0.27 N ATOM 426 CA LEU A2075 -12.211 2.977 -6.451 1.00 0.37 C ATOM 427 C LEU A2075 -12.364 3.989 -7.589 1.00 0.42 C ATOM 428 O LEU A2075 -13.426 4.079 -8.203 1.00 1.24 O ATOM 429 CB LEU A2075 -12.409 3.667 -5.094 1.00 0.44 C ATOM 430 CG LEU A2075 -12.231 2.747 -3.887 1.00 0.51 C ATOM 431 CD1 LEU A2075 -12.525 3.478 -2.591 1.00 0.89 C ATOM 432 CD2 LEU A2075 -13.117 1.528 -4.026 1.00 1.04 C ATOM 0 H LEU A2075 -10.185 2.830 -5.955 1.00 0.27 H new ATOM 0 HA LEU A2075 -12.974 2.210 -6.581 1.00 0.37 H new ATOM 0 HB2 LEU A2075 -11.702 4.493 -5.013 1.00 0.44 H new ATOM 0 HB3 LEU A2075 -13.409 4.099 -5.062 1.00 0.44 H new ATOM 0 HG LEU A2075 -11.191 2.423 -3.855 1.00 0.51 H new ATOM 0 HD11 LEU A2075 -12.390 2.797 -1.751 1.00 0.89 H new ATOM 0 HD12 LEU A2075 -11.844 4.323 -2.487 1.00 0.89 H new ATOM 0 HD13 LEU A2075 -13.553 3.840 -2.603 1.00 0.89 H new ATOM 0 HD21 LEU A2075 -12.982 0.879 -3.160 1.00 1.04 H new ATOM 0 HD22 LEU A2075 -14.159 1.841 -4.086 1.00 1.04 H new ATOM 0 HD23 LEU A2075 -12.849 0.985 -4.932 1.00 1.04 H new ATOM 444 N GLY A2076 -11.302 4.733 -7.876 1.00 1.16 N ATOM 445 CA GLY A2076 -11.378 5.796 -8.869 1.00 1.30 C ATOM 446 C GLY A2076 -12.337 6.880 -8.428 1.00 0.86 C ATOM 447 O GLY A2076 -13.479 6.926 -8.887 1.00 1.11 O ATOM 0 H GLY A2076 -10.387 4.621 -7.440 1.00 1.16 H new ATOM 0 HA2 GLY A2076 -10.388 6.223 -9.027 1.00 1.30 H new ATOM 0 HA3 GLY A2076 -11.703 5.384 -9.824 1.00 1.30 H new ATOM 451 N HIS A2077 -11.884 7.756 -7.532 1.00 0.88 N ATOM 452 CA HIS A2077 -12.815 8.650 -6.847 1.00 0.79 C ATOM 453 C HIS A2077 -12.127 9.762 -6.044 1.00 1.18 C ATOM 454 O HIS A2077 -12.811 10.622 -5.493 1.00 2.09 O ATOM 455 CB HIS A2077 -13.691 7.822 -5.891 1.00 1.03 C ATOM 456 CG HIS A2077 -12.965 7.306 -4.671 1.00 0.93 C ATOM 457 ND1 HIS A2077 -11.612 7.012 -4.649 1.00 1.17 N ATOM 458 CD2 HIS A2077 -13.408 7.083 -3.413 1.00 0.89 C ATOM 459 CE1 HIS A2077 -11.259 6.641 -3.431 1.00 1.04 C ATOM 460 NE2 HIS A2077 -12.332 6.675 -2.663 1.00 0.92 N ATOM 0 H HIS A2077 -10.905 7.865 -7.269 1.00 0.88 H new ATOM 0 HA HIS A2077 -13.407 9.138 -7.622 1.00 0.79 H new ATOM 0 HB2 HIS A2077 -14.533 8.434 -5.567 1.00 1.03 H new ATOM 0 HB3 HIS A2077 -14.105 6.975 -6.438 1.00 1.03 H new ATOM 0 HD2 HIS A2077 -14.422 7.204 -3.062 1.00 0.89 H new ATOM 0 HE1 HIS A2077 -10.265 6.359 -3.118 1.00 1.04 H new ATOM 0 HE2 HIS A2077 -12.358 6.437 -1.672 1.00 0.92 H new ATOM 469 N HIS A2078 -10.800 9.757 -5.959 1.00 1.15 N ATOM 470 CA HIS A2078 -10.131 10.604 -4.974 1.00 1.82 C ATOM 471 C HIS A2078 -8.696 10.921 -5.375 1.00 1.20 C ATOM 472 O HIS A2078 -8.014 10.100 -5.981 1.00 1.46 O ATOM 473 CB HIS A2078 -10.149 9.890 -3.616 1.00 2.98 C ATOM 474 CG HIS A2078 -9.872 10.769 -2.433 1.00 4.08 C ATOM 475 ND1 HIS A2078 -10.842 11.539 -1.830 1.00 5.04 N ATOM 476 CD2 HIS A2078 -8.742 10.963 -1.713 1.00 4.50 C ATOM 477 CE1 HIS A2078 -10.323 12.166 -0.793 1.00 5.96 C ATOM 478 NE2 HIS A2078 -9.050 11.836 -0.697 1.00 5.67 N ATOM 0 H HIS A2078 -10.180 9.194 -6.541 1.00 1.15 H new ATOM 0 HA HIS A2078 -10.666 11.552 -4.915 1.00 1.82 H new ATOM 0 HB2 HIS A2078 -11.124 9.422 -3.481 1.00 2.98 H new ATOM 0 HB3 HIS A2078 -9.411 9.088 -3.634 1.00 2.98 H new ATOM 0 HD2 HIS A2078 -7.778 10.515 -1.902 1.00 4.50 H new ATOM 0 HE1 HIS A2078 -10.852 12.837 -0.133 1.00 5.96 H new ATOM 0 HE2 HIS A2078 -8.401 12.173 0.014 1.00 5.67 H new ATOM 487 N THR A2079 -8.256 12.125 -5.037 1.00 1.12 N ATOM 488 CA THR A2079 -6.865 12.509 -5.192 1.00 0.78 C ATOM 489 C THR A2079 -6.018 11.819 -4.124 1.00 0.67 C ATOM 490 O THR A2079 -6.215 12.042 -2.930 1.00 0.86 O ATOM 491 CB THR A2079 -6.705 14.035 -5.057 1.00 1.25 C ATOM 492 OG1 THR A2079 -7.524 14.695 -6.029 1.00 1.52 O ATOM 493 CG2 THR A2079 -5.252 14.456 -5.233 1.00 1.42 C ATOM 0 H THR A2079 -8.851 12.857 -4.650 1.00 1.12 H new ATOM 0 HA THR A2079 -6.532 12.204 -6.184 1.00 0.78 H new ATOM 0 HB THR A2079 -7.021 14.323 -4.055 1.00 1.25 H new ATOM 0 HG1 THR A2079 -7.421 15.665 -5.939 1.00 1.52 H new ATOM 0 HG21 THR A2079 -5.172 15.538 -5.132 1.00 1.42 H new ATOM 0 HG22 THR A2079 -4.639 13.974 -4.471 1.00 1.42 H new ATOM 0 HG23 THR A2079 -4.904 14.157 -6.222 1.00 1.42 H new ATOM 501 N PRO A2080 -5.074 10.961 -4.550 1.00 0.48 N ATOM 502 CA PRO A2080 -4.212 10.189 -3.642 1.00 0.48 C ATOM 503 C PRO A2080 -3.480 11.068 -2.634 1.00 0.69 C ATOM 504 O PRO A2080 -3.261 10.669 -1.495 1.00 0.70 O ATOM 505 CB PRO A2080 -3.212 9.526 -4.586 1.00 0.56 C ATOM 506 CG PRO A2080 -3.928 9.436 -5.886 1.00 0.56 C ATOM 507 CD PRO A2080 -4.779 10.664 -5.965 1.00 0.50 C ATOM 0 HA PRO A2080 -4.789 9.488 -3.038 1.00 0.48 H new ATOM 0 HB2 PRO A2080 -2.300 10.116 -4.676 1.00 0.56 H new ATOM 0 HB3 PRO A2080 -2.920 8.540 -4.225 1.00 0.56 H new ATOM 0 HG2 PRO A2080 -3.225 9.393 -6.718 1.00 0.56 H new ATOM 0 HG3 PRO A2080 -4.537 8.534 -5.936 1.00 0.56 H new ATOM 0 HD2 PRO A2080 -4.254 11.488 -6.448 1.00 0.50 H new ATOM 0 HD3 PRO A2080 -5.689 10.487 -6.538 1.00 0.50 H new ATOM 515 N GLU A2081 -3.117 12.267 -3.061 1.00 0.93 N ATOM 516 CA GLU A2081 -2.452 13.223 -2.214 1.00 1.22 C ATOM 517 C GLU A2081 -3.331 13.608 -1.021 1.00 1.21 C ATOM 518 O GLU A2081 -2.833 13.981 0.042 1.00 1.32 O ATOM 519 CB GLU A2081 -2.122 14.447 -3.061 1.00 1.52 C ATOM 520 CG GLU A2081 -1.666 15.621 -2.257 1.00 2.12 C ATOM 521 CD GLU A2081 -1.271 16.806 -3.109 1.00 2.46 C ATOM 522 OE1 GLU A2081 -0.118 16.841 -3.585 1.00 2.53 O ATOM 523 OE2 GLU A2081 -2.111 17.708 -3.303 1.00 2.96 O ATOM 0 H GLU A2081 -3.280 12.599 -4.012 1.00 0.93 H new ATOM 0 HA GLU A2081 -1.539 12.788 -1.808 1.00 1.22 H new ATOM 0 HB2 GLU A2081 -1.345 14.184 -3.779 1.00 1.52 H new ATOM 0 HB3 GLU A2081 -3.004 14.730 -3.636 1.00 1.52 H new ATOM 0 HG2 GLU A2081 -2.464 15.920 -1.577 1.00 2.12 H new ATOM 0 HG3 GLU A2081 -0.817 15.324 -1.641 1.00 2.12 H new ATOM 530 N SER A2082 -4.637 13.481 -1.194 1.00 1.13 N ATOM 531 CA SER A2082 -5.584 13.904 -0.180 1.00 1.23 C ATOM 532 C SER A2082 -6.122 12.702 0.606 1.00 0.99 C ATOM 533 O SER A2082 -7.179 12.775 1.233 1.00 1.06 O ATOM 534 CB SER A2082 -6.724 14.691 -0.838 1.00 1.44 C ATOM 535 OG SER A2082 -7.558 15.306 0.129 1.00 1.70 O ATOM 0 H SER A2082 -5.065 13.086 -2.032 1.00 1.13 H new ATOM 0 HA SER A2082 -5.074 14.554 0.531 1.00 1.23 H new ATOM 0 HB2 SER A2082 -6.308 15.452 -1.498 1.00 1.44 H new ATOM 0 HB3 SER A2082 -7.319 14.021 -1.459 1.00 1.44 H new ATOM 0 HG SER A2082 -7.789 14.655 0.824 1.00 1.70 H new ATOM 541 N ILE A2083 -5.409 11.585 0.552 1.00 0.76 N ATOM 542 CA ILE A2083 -5.769 10.420 1.341 1.00 0.55 C ATOM 543 C ILE A2083 -5.092 10.467 2.704 1.00 0.43 C ATOM 544 O ILE A2083 -3.866 10.473 2.805 1.00 0.46 O ATOM 545 CB ILE A2083 -5.416 9.121 0.594 1.00 0.45 C ATOM 546 CG1 ILE A2083 -6.233 9.080 -0.697 1.00 0.58 C ATOM 547 CG2 ILE A2083 -5.678 7.897 1.465 1.00 0.42 C ATOM 548 CD1 ILE A2083 -6.272 7.738 -1.377 1.00 0.47 C ATOM 0 H ILE A2083 -4.580 11.463 -0.029 1.00 0.76 H new ATOM 0 HA ILE A2083 -6.848 10.433 1.497 1.00 0.55 H new ATOM 0 HB ILE A2083 -4.353 9.105 0.353 1.00 0.45 H new ATOM 0 HG12 ILE A2083 -7.254 9.388 -0.474 1.00 0.58 H new ATOM 0 HG13 ILE A2083 -5.824 9.812 -1.393 1.00 0.58 H new ATOM 0 HG21 ILE A2083 -5.420 6.994 0.911 1.00 0.42 H new ATOM 0 HG22 ILE A2083 -5.070 7.956 2.368 1.00 0.42 H new ATOM 0 HG23 ILE A2083 -6.732 7.865 1.740 1.00 0.42 H new ATOM 0 HD11 ILE A2083 -6.874 7.807 -2.283 1.00 0.47 H new ATOM 0 HD12 ILE A2083 -5.259 7.432 -1.637 1.00 0.47 H new ATOM 0 HD13 ILE A2083 -6.712 7.002 -0.704 1.00 0.47 H new ATOM 560 N SER A2084 -5.909 10.525 3.742 1.00 0.38 N ATOM 561 CA SER A2084 -5.423 10.662 5.103 1.00 0.32 C ATOM 562 C SER A2084 -4.854 9.344 5.623 1.00 0.29 C ATOM 563 O SER A2084 -5.488 8.293 5.522 1.00 0.31 O ATOM 564 CB SER A2084 -6.560 11.146 5.999 1.00 0.36 C ATOM 565 OG SER A2084 -7.113 12.354 5.498 1.00 0.42 O ATOM 0 H SER A2084 -6.925 10.479 3.665 1.00 0.38 H new ATOM 0 HA SER A2084 -4.615 11.394 5.114 1.00 0.32 H new ATOM 0 HB2 SER A2084 -7.335 10.382 6.057 1.00 0.36 H new ATOM 0 HB3 SER A2084 -6.190 11.302 7.012 1.00 0.36 H new ATOM 0 HG SER A2084 -7.841 12.648 6.084 1.00 0.42 H new ATOM 571 N PRO A2085 -3.647 9.407 6.205 1.00 0.29 N ATOM 572 CA PRO A2085 -2.879 8.225 6.626 1.00 0.28 C ATOM 573 C PRO A2085 -3.524 7.442 7.762 1.00 0.28 C ATOM 574 O PRO A2085 -3.349 6.228 7.863 1.00 0.33 O ATOM 575 CB PRO A2085 -1.555 8.822 7.101 1.00 0.32 C ATOM 576 CG PRO A2085 -1.912 10.203 7.515 1.00 0.36 C ATOM 577 CD PRO A2085 -2.922 10.654 6.507 1.00 0.36 C ATOM 0 HA PRO A2085 -2.795 7.506 5.811 1.00 0.28 H new ATOM 0 HB2 PRO A2085 -1.135 8.253 7.930 1.00 0.32 H new ATOM 0 HB3 PRO A2085 -0.810 8.824 6.306 1.00 0.32 H new ATOM 0 HG2 PRO A2085 -2.325 10.220 8.524 1.00 0.36 H new ATOM 0 HG3 PRO A2085 -1.038 10.854 7.518 1.00 0.36 H new ATOM 0 HD2 PRO A2085 -3.583 11.421 6.910 1.00 0.36 H new ATOM 0 HD3 PRO A2085 -2.450 11.075 5.619 1.00 0.36 H new ATOM 585 N ALA A2086 -4.250 8.138 8.622 1.00 0.30 N ATOM 586 CA ALA A2086 -4.824 7.512 9.808 1.00 0.36 C ATOM 587 C ALA A2086 -6.224 6.955 9.563 1.00 0.30 C ATOM 588 O ALA A2086 -6.810 6.335 10.452 1.00 0.28 O ATOM 589 CB ALA A2086 -4.850 8.503 10.959 1.00 0.47 C ATOM 0 H ALA A2086 -4.457 9.132 8.524 1.00 0.30 H new ATOM 0 HA ALA A2086 -4.186 6.666 10.063 1.00 0.36 H new ATOM 0 HB1 ALA A2086 -5.280 8.026 11.840 1.00 0.47 H new ATOM 0 HB2 ALA A2086 -3.834 8.828 11.182 1.00 0.47 H new ATOM 0 HB3 ALA A2086 -5.455 9.367 10.682 1.00 0.47 H new ATOM 595 N THR A2087 -6.763 7.160 8.370 1.00 0.32 N ATOM 596 CA THR A2087 -8.108 6.690 8.073 1.00 0.28 C ATOM 597 C THR A2087 -8.094 5.232 7.640 1.00 0.24 C ATOM 598 O THR A2087 -7.129 4.742 7.052 1.00 0.28 O ATOM 599 CB THR A2087 -8.775 7.521 6.968 1.00 0.32 C ATOM 600 OG1 THR A2087 -8.476 8.911 7.151 1.00 0.39 O ATOM 601 CG2 THR A2087 -10.287 7.329 6.981 1.00 0.34 C ATOM 0 H THR A2087 -6.297 7.642 7.601 1.00 0.32 H new ATOM 0 HA THR A2087 -8.682 6.798 8.993 1.00 0.28 H new ATOM 0 HB THR A2087 -8.384 7.182 6.009 1.00 0.32 H new ATOM 0 HG1 THR A2087 -9.050 9.449 6.566 1.00 0.39 H new ATOM 0 HG21 THR A2087 -10.737 7.928 6.189 1.00 0.34 H new ATOM 0 HG22 THR A2087 -10.522 6.277 6.818 1.00 0.34 H new ATOM 0 HG23 THR A2087 -10.686 7.644 7.945 1.00 0.34 H new ATOM 609 N ALA A2088 -9.185 4.557 7.928 1.00 0.23 N ATOM 610 CA ALA A2088 -9.359 3.163 7.573 1.00 0.25 C ATOM 611 C ALA A2088 -9.882 3.065 6.155 1.00 0.22 C ATOM 612 O ALA A2088 -10.785 3.805 5.772 1.00 0.25 O ATOM 613 CB ALA A2088 -10.332 2.500 8.532 1.00 0.32 C ATOM 0 H ALA A2088 -9.983 4.961 8.418 1.00 0.23 H new ATOM 0 HA ALA A2088 -8.399 2.652 7.639 1.00 0.25 H new ATOM 0 HB1 ALA A2088 -10.457 1.453 8.257 1.00 0.32 H new ATOM 0 HB2 ALA A2088 -9.943 2.565 9.548 1.00 0.32 H new ATOM 0 HB3 ALA A2088 -11.296 3.006 8.480 1.00 0.32 H new ATOM 619 N PHE A2089 -9.308 2.143 5.383 1.00 0.21 N ATOM 620 CA PHE A2089 -9.696 1.939 3.988 1.00 0.20 C ATOM 621 C PHE A2089 -11.194 1.740 3.838 1.00 0.24 C ATOM 622 O PHE A2089 -11.765 2.091 2.813 1.00 0.26 O ATOM 623 CB PHE A2089 -8.939 0.763 3.382 1.00 0.21 C ATOM 624 CG PHE A2089 -7.549 1.129 2.981 1.00 0.21 C ATOM 625 CD1 PHE A2089 -7.330 2.107 2.025 1.00 0.40 C ATOM 626 CD2 PHE A2089 -6.463 0.518 3.570 1.00 0.44 C ATOM 627 CE1 PHE A2089 -6.049 2.466 1.668 1.00 0.43 C ATOM 628 CE2 PHE A2089 -5.180 0.869 3.213 1.00 0.48 C ATOM 629 CZ PHE A2089 -4.973 1.845 2.262 1.00 0.34 C ATOM 0 H PHE A2089 -8.566 1.521 5.704 1.00 0.21 H new ATOM 0 HA PHE A2089 -9.429 2.845 3.444 1.00 0.20 H new ATOM 0 HB2 PHE A2089 -8.903 -0.053 4.103 1.00 0.21 H new ATOM 0 HB3 PHE A2089 -9.481 0.395 2.511 1.00 0.21 H new ATOM 0 HD1 PHE A2089 -8.172 2.593 1.555 1.00 0.40 H new ATOM 0 HD2 PHE A2089 -6.620 -0.244 4.319 1.00 0.44 H new ATOM 0 HE1 PHE A2089 -5.889 3.232 0.924 1.00 0.43 H new ATOM 0 HE2 PHE A2089 -4.337 0.380 3.678 1.00 0.48 H new ATOM 0 HZ PHE A2089 -3.967 2.123 1.983 1.00 0.34 H new ATOM 639 N LYS A2090 -11.815 1.184 4.865 1.00 0.30 N ATOM 640 CA LYS A2090 -13.259 1.081 4.920 1.00 0.40 C ATOM 641 C LYS A2090 -13.912 2.436 4.646 1.00 0.37 C ATOM 642 O LYS A2090 -14.710 2.574 3.719 1.00 0.47 O ATOM 643 CB LYS A2090 -13.656 0.555 6.277 1.00 0.55 C ATOM 644 CG LYS A2090 -14.873 1.222 6.844 1.00 1.19 C ATOM 645 CD LYS A2090 -15.367 0.480 8.037 1.00 1.79 C ATOM 646 CE LYS A2090 -14.362 0.504 9.172 1.00 2.14 C ATOM 647 NZ LYS A2090 -14.877 -0.183 10.384 1.00 2.91 N ATOM 0 H LYS A2090 -11.335 0.795 5.677 1.00 0.30 H new ATOM 0 HA LYS A2090 -13.605 0.393 4.149 1.00 0.40 H new ATOM 0 HB2 LYS A2090 -13.840 -0.517 6.203 1.00 0.55 H new ATOM 0 HB3 LYS A2090 -12.823 0.688 6.968 1.00 0.55 H new ATOM 0 HG2 LYS A2090 -14.636 2.250 7.120 1.00 1.19 H new ATOM 0 HG3 LYS A2090 -15.656 1.268 6.087 1.00 1.19 H new ATOM 0 HD2 LYS A2090 -16.306 0.918 8.374 1.00 1.79 H new ATOM 0 HD3 LYS A2090 -15.578 -0.553 7.761 1.00 1.79 H new ATOM 0 HE2 LYS A2090 -13.438 0.025 8.849 1.00 2.14 H new ATOM 0 HE3 LYS A2090 -14.116 1.537 9.417 1.00 2.14 H new ATOM 0 HZ1 LYS A2090 -14.160 -0.144 11.136 1.00 2.91 H new ATOM 0 HZ2 LYS A2090 -15.745 0.289 10.708 1.00 2.91 H new ATOM 0 HZ3 LYS A2090 -15.087 -1.176 10.157 1.00 2.91 H new ATOM 661 N ASP A2091 -13.559 3.423 5.464 1.00 0.33 N ATOM 662 CA ASP A2091 -14.045 4.787 5.308 1.00 0.35 C ATOM 663 C ASP A2091 -13.779 5.336 3.904 1.00 0.33 C ATOM 664 O ASP A2091 -14.631 6.016 3.333 1.00 0.39 O ATOM 665 CB ASP A2091 -13.388 5.691 6.349 1.00 0.38 C ATOM 666 CG ASP A2091 -13.973 7.088 6.345 1.00 1.03 C ATOM 667 OD1 ASP A2091 -13.491 7.933 5.562 1.00 1.88 O ATOM 668 OD2 ASP A2091 -14.918 7.351 7.116 1.00 1.04 O ATOM 0 H ASP A2091 -12.927 3.298 6.255 1.00 0.33 H new ATOM 0 HA ASP A2091 -15.125 4.771 5.456 1.00 0.35 H new ATOM 0 HB2 ASP A2091 -13.510 5.251 7.339 1.00 0.38 H new ATOM 0 HB3 ASP A2091 -12.317 5.747 6.155 1.00 0.38 H new ATOM 673 N LEU A2092 -12.604 5.034 3.343 1.00 0.30 N ATOM 674 CA LEU A2092 -12.249 5.531 2.016 1.00 0.32 C ATOM 675 C LEU A2092 -13.100 4.882 0.922 1.00 0.30 C ATOM 676 O LEU A2092 -13.223 5.427 -0.178 1.00 0.36 O ATOM 677 CB LEU A2092 -10.760 5.299 1.709 1.00 0.34 C ATOM 678 CG LEU A2092 -9.751 6.196 2.451 1.00 0.35 C ATOM 679 CD1 LEU A2092 -10.336 7.563 2.767 1.00 0.73 C ATOM 680 CD2 LEU A2092 -9.244 5.522 3.710 1.00 0.61 C ATOM 0 H LEU A2092 -11.891 4.453 3.784 1.00 0.30 H new ATOM 0 HA LEU A2092 -12.447 6.603 2.023 1.00 0.32 H new ATOM 0 HB2 LEU A2092 -10.524 4.260 1.938 1.00 0.34 H new ATOM 0 HB3 LEU A2092 -10.609 5.432 0.638 1.00 0.34 H new ATOM 0 HG LEU A2092 -8.904 6.349 1.782 1.00 0.35 H new ATOM 0 HD11 LEU A2092 -9.593 8.165 3.290 1.00 0.73 H new ATOM 0 HD12 LEU A2092 -10.619 8.061 1.840 1.00 0.73 H new ATOM 0 HD13 LEU A2092 -11.217 7.445 3.398 1.00 0.73 H new ATOM 0 HD21 LEU A2092 -8.534 6.178 4.213 1.00 0.61 H new ATOM 0 HD22 LEU A2092 -10.082 5.317 4.376 1.00 0.61 H new ATOM 0 HD23 LEU A2092 -8.751 4.586 3.448 1.00 0.61 H new ATOM 692 N GLY A2093 -13.680 3.721 1.219 1.00 0.26 N ATOM 693 CA GLY A2093 -14.587 3.081 0.278 1.00 0.26 C ATOM 694 C GLY A2093 -14.207 1.642 -0.013 1.00 0.22 C ATOM 695 O GLY A2093 -14.804 0.990 -0.869 1.00 0.27 O ATOM 0 H GLY A2093 -13.539 3.213 2.092 1.00 0.26 H new ATOM 0 HA2 GLY A2093 -15.600 3.111 0.678 1.00 0.26 H new ATOM 0 HA3 GLY A2093 -14.595 3.646 -0.654 1.00 0.26 H new ATOM 699 N ILE A2094 -13.218 1.150 0.710 1.00 0.22 N ATOM 700 CA ILE A2094 -12.682 -0.185 0.491 1.00 0.19 C ATOM 701 C ILE A2094 -13.498 -1.248 1.213 1.00 0.18 C ATOM 702 O ILE A2094 -13.925 -1.054 2.353 1.00 0.22 O ATOM 703 CB ILE A2094 -11.224 -0.260 0.988 1.00 0.19 C ATOM 704 CG1 ILE A2094 -10.340 0.705 0.198 1.00 0.24 C ATOM 705 CG2 ILE A2094 -10.672 -1.680 0.908 1.00 0.21 C ATOM 706 CD1 ILE A2094 -10.294 0.412 -1.279 1.00 0.28 C ATOM 0 H ILE A2094 -12.763 1.662 1.465 1.00 0.22 H new ATOM 0 HA ILE A2094 -12.728 -0.378 -0.581 1.00 0.19 H new ATOM 0 HB ILE A2094 -11.218 0.035 2.037 1.00 0.19 H new ATOM 0 HG12 ILE A2094 -10.704 1.722 0.347 1.00 0.24 H new ATOM 0 HG13 ILE A2094 -9.327 0.667 0.599 1.00 0.24 H new ATOM 0 HG21 ILE A2094 -9.643 -1.691 1.267 1.00 0.21 H new ATOM 0 HG22 ILE A2094 -11.279 -2.342 1.526 1.00 0.21 H new ATOM 0 HG23 ILE A2094 -10.699 -2.023 -0.126 1.00 0.21 H new ATOM 0 HD11 ILE A2094 -9.648 1.137 -1.774 1.00 0.28 H new ATOM 0 HD12 ILE A2094 -9.901 -0.592 -1.439 1.00 0.28 H new ATOM 0 HD13 ILE A2094 -11.299 0.479 -1.695 1.00 0.28 H new ATOM 718 N ASP A2095 -13.712 -2.363 0.535 1.00 0.19 N ATOM 719 CA ASP A2095 -14.273 -3.551 1.163 1.00 0.26 C ATOM 720 C ASP A2095 -13.542 -4.764 0.632 1.00 0.21 C ATOM 721 O ASP A2095 -12.481 -4.623 0.033 1.00 0.23 O ATOM 722 CB ASP A2095 -15.773 -3.682 0.896 1.00 0.40 C ATOM 723 CG ASP A2095 -16.471 -4.614 1.879 1.00 0.77 C ATOM 724 OD1 ASP A2095 -15.992 -4.749 3.020 1.00 0.94 O ATOM 725 OD2 ASP A2095 -17.505 -5.206 1.522 1.00 1.07 O ATOM 0 H ASP A2095 -13.504 -2.472 -0.458 1.00 0.19 H new ATOM 0 HA ASP A2095 -14.146 -3.470 2.243 1.00 0.26 H new ATOM 0 HB2 ASP A2095 -16.234 -2.696 0.949 1.00 0.40 H new ATOM 0 HB3 ASP A2095 -15.926 -4.051 -0.118 1.00 0.40 H new ATOM 730 N SER A2096 -14.115 -5.939 0.819 1.00 0.30 N ATOM 731 CA SER A2096 -13.470 -7.188 0.448 1.00 0.35 C ATOM 732 C SER A2096 -13.058 -7.197 -1.018 1.00 0.30 C ATOM 733 O SER A2096 -12.005 -7.726 -1.386 1.00 0.38 O ATOM 734 CB SER A2096 -14.423 -8.348 0.723 1.00 0.51 C ATOM 735 OG SER A2096 -15.778 -7.845 0.667 1.00 0.85 O ATOM 0 H SER A2096 -15.040 -6.056 1.232 1.00 0.30 H new ATOM 0 HA SER A2096 -12.565 -7.294 1.046 1.00 0.35 H new ATOM 0 HB2 SER A2096 -14.281 -9.139 -0.013 1.00 0.51 H new ATOM 0 HB3 SER A2096 -14.219 -8.783 1.702 1.00 0.51 H new ATOM 740 N LEU A2097 -13.901 -6.593 -1.834 1.00 0.29 N ATOM 741 CA LEU A2097 -13.716 -6.529 -3.256 1.00 0.35 C ATOM 742 C LEU A2097 -12.467 -5.744 -3.628 1.00 0.26 C ATOM 743 O LEU A2097 -11.553 -6.263 -4.256 1.00 0.35 O ATOM 744 CB LEU A2097 -14.941 -5.848 -3.830 1.00 0.50 C ATOM 745 CG LEU A2097 -15.010 -5.793 -5.324 1.00 1.06 C ATOM 746 CD1 LEU A2097 -15.443 -7.136 -5.828 1.00 1.39 C ATOM 747 CD2 LEU A2097 -15.958 -4.699 -5.747 1.00 1.65 C ATOM 0 H LEU A2097 -14.749 -6.126 -1.512 1.00 0.29 H new ATOM 0 HA LEU A2097 -13.589 -7.535 -3.657 1.00 0.35 H new ATOM 0 HB2 LEU A2097 -15.828 -6.364 -3.462 1.00 0.50 H new ATOM 0 HB3 LEU A2097 -14.982 -4.829 -3.445 1.00 0.50 H new ATOM 0 HG LEU A2097 -14.034 -5.561 -5.751 1.00 1.06 H new ATOM 0 HD11 LEU A2097 -15.499 -7.115 -6.916 1.00 1.39 H new ATOM 0 HD12 LEU A2097 -14.722 -7.891 -5.516 1.00 1.39 H new ATOM 0 HD13 LEU A2097 -16.423 -7.379 -5.419 1.00 1.39 H new ATOM 0 HD21 LEU A2097 -16.007 -4.661 -6.835 1.00 1.65 H new ATOM 0 HD22 LEU A2097 -16.951 -4.903 -5.346 1.00 1.65 H new ATOM 0 HD23 LEU A2097 -15.602 -3.742 -5.366 1.00 1.65 H new ATOM 759 N THR A2098 -12.437 -4.492 -3.234 1.00 0.19 N ATOM 760 CA THR A2098 -11.358 -3.607 -3.623 1.00 0.16 C ATOM 761 C THR A2098 -10.132 -3.770 -2.744 1.00 0.15 C ATOM 762 O THR A2098 -9.057 -3.270 -3.073 1.00 0.19 O ATOM 763 CB THR A2098 -11.826 -2.157 -3.610 1.00 0.21 C ATOM 764 OG1 THR A2098 -12.605 -1.906 -2.433 1.00 0.26 O ATOM 765 CG2 THR A2098 -12.641 -1.876 -4.856 1.00 0.27 C ATOM 0 H THR A2098 -13.148 -4.061 -2.643 1.00 0.19 H new ATOM 0 HA THR A2098 -11.069 -3.883 -4.637 1.00 0.16 H new ATOM 0 HB THR A2098 -10.960 -1.496 -3.599 1.00 0.21 H new ATOM 0 HG1 THR A2098 -13.269 -1.210 -2.622 1.00 0.26 H new ATOM 0 HG21 THR A2098 -12.975 -0.839 -4.846 1.00 0.27 H new ATOM 0 HG22 THR A2098 -12.027 -2.051 -5.739 1.00 0.27 H new ATOM 0 HG23 THR A2098 -13.508 -2.536 -4.880 1.00 0.27 H new ATOM 773 N ALA A2099 -10.289 -4.473 -1.633 1.00 0.15 N ATOM 774 CA ALA A2099 -9.164 -4.791 -0.776 1.00 0.19 C ATOM 775 C ALA A2099 -8.142 -5.619 -1.542 1.00 0.22 C ATOM 776 O ALA A2099 -6.936 -5.430 -1.393 1.00 0.29 O ATOM 777 CB ALA A2099 -9.631 -5.528 0.468 1.00 0.21 C ATOM 0 H ALA A2099 -11.186 -4.833 -1.306 1.00 0.15 H new ATOM 0 HA ALA A2099 -8.691 -3.861 -0.459 1.00 0.19 H new ATOM 0 HB1 ALA A2099 -8.772 -5.758 1.099 1.00 0.21 H new ATOM 0 HB2 ALA A2099 -10.330 -4.901 1.021 1.00 0.21 H new ATOM 0 HB3 ALA A2099 -10.126 -6.455 0.178 1.00 0.21 H new ATOM 783 N LEU A2100 -8.626 -6.515 -2.394 1.00 0.22 N ATOM 784 CA LEU A2100 -7.729 -7.340 -3.181 1.00 0.27 C ATOM 785 C LEU A2100 -7.139 -6.525 -4.327 1.00 0.26 C ATOM 786 O LEU A2100 -5.962 -6.653 -4.632 1.00 0.29 O ATOM 787 CB LEU A2100 -8.435 -8.615 -3.683 1.00 0.31 C ATOM 788 CG LEU A2100 -9.678 -8.416 -4.556 1.00 0.33 C ATOM 789 CD1 LEU A2100 -9.308 -8.311 -6.028 1.00 0.36 C ATOM 790 CD2 LEU A2100 -10.667 -9.549 -4.340 1.00 0.40 C ATOM 0 H LEU A2100 -9.619 -6.685 -2.554 1.00 0.22 H new ATOM 0 HA LEU A2100 -6.908 -7.669 -2.544 1.00 0.27 H new ATOM 0 HB2 LEU A2100 -7.713 -9.203 -4.249 1.00 0.31 H new ATOM 0 HB3 LEU A2100 -8.721 -9.210 -2.815 1.00 0.31 H new ATOM 0 HG LEU A2100 -10.147 -7.478 -4.259 1.00 0.33 H new ATOM 0 HD11 LEU A2100 -10.212 -8.170 -6.621 1.00 0.36 H new ATOM 0 HD12 LEU A2100 -8.641 -7.462 -6.176 1.00 0.36 H new ATOM 0 HD13 LEU A2100 -8.806 -9.226 -6.343 1.00 0.36 H new ATOM 0 HD21 LEU A2100 -11.544 -9.391 -4.968 1.00 0.40 H new ATOM 0 HD22 LEU A2100 -10.198 -10.497 -4.604 1.00 0.40 H new ATOM 0 HD23 LEU A2100 -10.970 -9.573 -3.293 1.00 0.40 H new ATOM 802 N GLU A2101 -7.956 -5.663 -4.929 1.00 0.24 N ATOM 803 CA GLU A2101 -7.512 -4.806 -6.026 1.00 0.26 C ATOM 804 C GLU A2101 -6.436 -3.831 -5.562 1.00 0.24 C ATOM 805 O GLU A2101 -5.440 -3.608 -6.257 1.00 0.27 O ATOM 806 CB GLU A2101 -8.713 -4.045 -6.579 1.00 0.29 C ATOM 807 CG GLU A2101 -9.827 -4.958 -7.042 1.00 0.35 C ATOM 808 CD GLU A2101 -9.544 -5.600 -8.386 1.00 0.50 C ATOM 809 OE1 GLU A2101 -10.386 -5.463 -9.300 1.00 0.72 O ATOM 810 OE2 GLU A2101 -8.478 -6.231 -8.542 1.00 0.56 O ATOM 0 H GLU A2101 -8.936 -5.539 -4.673 1.00 0.24 H new ATOM 0 HA GLU A2101 -7.077 -5.429 -6.808 1.00 0.26 H new ATOM 0 HB2 GLU A2101 -9.096 -3.374 -5.811 1.00 0.29 H new ATOM 0 HB3 GLU A2101 -8.390 -3.423 -7.414 1.00 0.29 H new ATOM 0 HG2 GLU A2101 -9.983 -5.739 -6.298 1.00 0.35 H new ATOM 0 HG3 GLU A2101 -10.754 -4.388 -7.105 1.00 0.35 H new ATOM 817 N LEU A2102 -6.652 -3.237 -4.398 1.00 0.21 N ATOM 818 CA LEU A2102 -5.657 -2.384 -3.776 1.00 0.22 C ATOM 819 C LEU A2102 -4.352 -3.151 -3.587 1.00 0.24 C ATOM 820 O LEU A2102 -3.298 -2.721 -4.055 1.00 0.27 O ATOM 821 CB LEU A2102 -6.179 -1.906 -2.431 1.00 0.24 C ATOM 822 CG LEU A2102 -5.741 -0.512 -2.004 1.00 0.28 C ATOM 823 CD1 LEU A2102 -6.388 -0.177 -0.692 1.00 0.65 C ATOM 824 CD2 LEU A2102 -4.236 -0.404 -1.883 1.00 0.57 C ATOM 0 H LEU A2102 -7.515 -3.333 -3.864 1.00 0.21 H new ATOM 0 HA LEU A2102 -5.465 -1.525 -4.418 1.00 0.22 H new ATOM 0 HB2 LEU A2102 -7.268 -1.931 -2.456 1.00 0.24 H new ATOM 0 HB3 LEU A2102 -5.861 -2.615 -1.667 1.00 0.24 H new ATOM 0 HG LEU A2102 -6.055 0.196 -2.771 1.00 0.28 H new ATOM 0 HD11 LEU A2102 -6.080 0.820 -0.378 1.00 0.65 H new ATOM 0 HD12 LEU A2102 -7.472 -0.203 -0.804 1.00 0.65 H new ATOM 0 HD13 LEU A2102 -6.083 -0.904 0.060 1.00 0.65 H new ATOM 0 HD21 LEU A2102 -3.967 0.607 -1.576 1.00 0.57 H new ATOM 0 HD22 LEU A2102 -3.879 -1.116 -1.139 1.00 0.57 H new ATOM 0 HD23 LEU A2102 -3.777 -0.625 -2.847 1.00 0.57 H new ATOM 836 N ARG A2103 -4.440 -4.286 -2.898 1.00 0.26 N ATOM 837 CA ARG A2103 -3.292 -5.157 -2.693 1.00 0.34 C ATOM 838 C ARG A2103 -2.631 -5.509 -4.021 1.00 0.35 C ATOM 839 O ARG A2103 -1.409 -5.490 -4.129 1.00 0.43 O ATOM 840 CB ARG A2103 -3.730 -6.431 -1.977 1.00 0.48 C ATOM 841 CG ARG A2103 -2.604 -7.423 -1.786 1.00 0.94 C ATOM 842 CD ARG A2103 -3.099 -8.720 -1.177 1.00 0.77 C ATOM 843 NE ARG A2103 -3.935 -9.482 -2.108 1.00 0.94 N ATOM 844 CZ ARG A2103 -3.460 -10.213 -3.119 1.00 1.48 C ATOM 845 NH1 ARG A2103 -2.153 -10.291 -3.339 1.00 2.43 N ATOM 846 NH2 ARG A2103 -4.299 -10.871 -3.906 1.00 1.60 N ATOM 0 H ARG A2103 -5.302 -4.623 -2.470 1.00 0.26 H new ATOM 0 HA ARG A2103 -2.564 -4.627 -2.078 1.00 0.34 H new ATOM 0 HB2 ARG A2103 -4.144 -6.169 -1.003 1.00 0.48 H new ATOM 0 HB3 ARG A2103 -4.530 -6.904 -2.547 1.00 0.48 H new ATOM 0 HG2 ARG A2103 -2.133 -7.628 -2.747 1.00 0.94 H new ATOM 0 HG3 ARG A2103 -1.840 -6.987 -1.143 1.00 0.94 H new ATOM 0 HD2 ARG A2103 -2.246 -9.328 -0.876 1.00 0.77 H new ATOM 0 HD3 ARG A2103 -3.669 -8.502 -0.274 1.00 0.77 H new ATOM 0 HE ARG A2103 -4.946 -9.452 -1.975 1.00 0.94 H new ATOM 0 HH11 ARG A2103 -1.503 -9.790 -2.733 1.00 2.43 H new ATOM 0 HH12 ARG A2103 -1.799 -10.852 -4.114 1.00 2.43 H new ATOM 0 HH21 ARG A2103 -5.304 -10.818 -3.738 1.00 1.60 H new ATOM 0 HH22 ARG A2103 -3.940 -11.431 -4.680 1.00 1.60 H new ATOM 860 N ASN A2104 -3.447 -5.834 -5.019 1.00 0.33 N ATOM 861 CA ASN A2104 -2.964 -6.114 -6.369 1.00 0.38 C ATOM 862 C ASN A2104 -2.056 -4.995 -6.857 1.00 0.39 C ATOM 863 O ASN A2104 -0.931 -5.237 -7.293 1.00 0.48 O ATOM 864 CB ASN A2104 -4.144 -6.271 -7.335 1.00 0.39 C ATOM 865 CG ASN A2104 -4.872 -7.592 -7.188 1.00 0.43 C ATOM 866 OD1 ASN A2104 -4.293 -8.599 -6.780 1.00 0.47 O ATOM 867 ND2 ASN A2104 -6.150 -7.599 -7.534 1.00 0.44 N ATOM 0 H ASN A2104 -4.459 -5.911 -4.916 1.00 0.33 H new ATOM 0 HA ASN A2104 -2.396 -7.044 -6.339 1.00 0.38 H new ATOM 0 HB2 ASN A2104 -4.849 -5.456 -7.171 1.00 0.39 H new ATOM 0 HB3 ASN A2104 -3.781 -6.177 -8.358 1.00 0.39 H new ATOM 0 HD21 ASN A2104 -6.692 -8.461 -7.467 1.00 0.44 H new ATOM 0 HD22 ASN A2104 -6.593 -6.743 -7.867 1.00 0.44 H new ATOM 874 N THR A2105 -2.544 -3.767 -6.750 1.00 0.33 N ATOM 875 CA THR A2105 -1.793 -2.597 -7.178 1.00 0.39 C ATOM 876 C THR A2105 -0.501 -2.459 -6.366 1.00 0.42 C ATOM 877 O THR A2105 0.573 -2.218 -6.920 1.00 0.51 O ATOM 878 CB THR A2105 -2.639 -1.319 -7.026 1.00 0.41 C ATOM 879 OG1 THR A2105 -3.948 -1.528 -7.584 1.00 0.46 O ATOM 880 CG2 THR A2105 -1.970 -0.142 -7.723 1.00 0.51 C ATOM 0 H THR A2105 -3.465 -3.555 -6.367 1.00 0.33 H new ATOM 0 HA THR A2105 -1.540 -2.729 -8.230 1.00 0.39 H new ATOM 0 HB THR A2105 -2.727 -1.092 -5.964 1.00 0.41 H new ATOM 0 HG1 THR A2105 -4.460 -2.126 -7.001 1.00 0.46 H new ATOM 0 HG21 THR A2105 -2.585 0.750 -7.603 1.00 0.51 H new ATOM 0 HG22 THR A2105 -0.989 0.032 -7.282 1.00 0.51 H new ATOM 0 HG23 THR A2105 -1.857 -0.364 -8.784 1.00 0.51 H new ATOM 888 N LEU A2106 -0.616 -2.641 -5.053 1.00 0.42 N ATOM 889 CA LEU A2106 0.531 -2.570 -4.151 1.00 0.55 C ATOM 890 C LEU A2106 1.571 -3.626 -4.517 1.00 0.54 C ATOM 891 O LEU A2106 2.776 -3.364 -4.507 1.00 0.56 O ATOM 892 CB LEU A2106 0.069 -2.775 -2.704 1.00 0.74 C ATOM 893 CG LEU A2106 -0.984 -1.782 -2.212 1.00 0.44 C ATOM 894 CD1 LEU A2106 -1.371 -2.080 -0.774 1.00 1.13 C ATOM 895 CD2 LEU A2106 -0.480 -0.355 -2.343 1.00 0.81 C ATOM 0 H LEU A2106 -1.501 -2.841 -4.586 1.00 0.42 H new ATOM 0 HA LEU A2106 0.988 -1.585 -4.249 1.00 0.55 H new ATOM 0 HB2 LEU A2106 -0.332 -3.784 -2.607 1.00 0.74 H new ATOM 0 HB3 LEU A2106 0.938 -2.713 -2.049 1.00 0.74 H new ATOM 0 HG LEU A2106 -1.871 -1.890 -2.836 1.00 0.44 H new ATOM 0 HD11 LEU A2106 -2.121 -1.362 -0.443 1.00 1.13 H new ATOM 0 HD12 LEU A2106 -1.780 -3.088 -0.709 1.00 1.13 H new ATOM 0 HD13 LEU A2106 -0.490 -2.004 -0.137 1.00 1.13 H new ATOM 0 HD21 LEU A2106 -1.245 0.335 -1.987 1.00 0.81 H new ATOM 0 HD22 LEU A2106 0.425 -0.232 -1.747 1.00 0.81 H new ATOM 0 HD23 LEU A2106 -0.257 -0.142 -3.389 1.00 0.81 H new ATOM 907 N THR A2107 1.083 -4.810 -4.852 1.00 0.56 N ATOM 908 CA THR A2107 1.927 -5.930 -5.231 1.00 0.62 C ATOM 909 C THR A2107 2.671 -5.638 -6.535 1.00 0.60 C ATOM 910 O THR A2107 3.881 -5.851 -6.641 1.00 0.64 O ATOM 911 CB THR A2107 1.070 -7.206 -5.405 1.00 0.69 C ATOM 912 OG1 THR A2107 0.331 -7.467 -4.206 1.00 0.73 O ATOM 913 CG2 THR A2107 1.927 -8.411 -5.741 1.00 0.81 C ATOM 0 H THR A2107 0.085 -5.021 -4.868 1.00 0.56 H new ATOM 0 HA THR A2107 2.658 -6.084 -4.437 1.00 0.62 H new ATOM 0 HB THR A2107 0.383 -7.033 -6.234 1.00 0.69 H new ATOM 0 HG1 THR A2107 -0.519 -6.981 -4.234 1.00 0.73 H new ATOM 0 HG21 THR A2107 1.291 -9.289 -5.856 1.00 0.81 H new ATOM 0 HG22 THR A2107 2.464 -8.227 -6.672 1.00 0.81 H new ATOM 0 HG23 THR A2107 2.643 -8.584 -4.937 1.00 0.81 H new ATOM 921 N HIS A2108 1.941 -5.116 -7.514 1.00 0.58 N ATOM 922 CA HIS A2108 2.481 -4.904 -8.853 1.00 0.62 C ATOM 923 C HIS A2108 3.459 -3.736 -8.888 1.00 0.60 C ATOM 924 O HIS A2108 4.322 -3.666 -9.762 1.00 0.68 O ATOM 925 CB HIS A2108 1.354 -4.655 -9.859 1.00 0.68 C ATOM 926 CG HIS A2108 0.386 -5.793 -9.998 1.00 1.20 C ATOM 927 ND1 HIS A2108 -0.926 -5.620 -10.381 1.00 1.74 N ATOM 928 CD2 HIS A2108 0.544 -7.123 -9.800 1.00 2.24 C ATOM 929 CE1 HIS A2108 -1.532 -6.791 -10.413 1.00 2.48 C ATOM 930 NE2 HIS A2108 -0.664 -7.719 -10.064 1.00 2.81 N ATOM 0 H HIS A2108 0.968 -4.830 -7.405 1.00 0.58 H new ATOM 0 HA HIS A2108 3.019 -5.811 -9.128 1.00 0.62 H new ATOM 0 HB2 HIS A2108 0.806 -3.762 -9.559 1.00 0.68 H new ATOM 0 HB3 HIS A2108 1.793 -4.446 -10.834 1.00 0.68 H new ATOM 0 HD2 HIS A2108 1.451 -7.622 -9.492 1.00 2.24 H new ATOM 0 HE1 HIS A2108 -2.565 -6.961 -10.680 1.00 2.48 H new ATOM 0 HE2 HIS A2108 -0.858 -8.718 -10.000 1.00 2.81 H new ATOM 939 N ASN A2109 3.322 -2.818 -7.940 1.00 0.57 N ATOM 940 CA ASN A2109 4.171 -1.633 -7.908 1.00 0.64 C ATOM 941 C ASN A2109 5.608 -1.992 -7.557 1.00 0.66 C ATOM 942 O ASN A2109 6.547 -1.522 -8.198 1.00 0.85 O ATOM 943 CB ASN A2109 3.647 -0.612 -6.904 1.00 0.82 C ATOM 944 CG ASN A2109 4.382 0.715 -7.006 1.00 1.61 C ATOM 945 OD1 ASN A2109 3.973 1.605 -7.752 1.00 1.85 O ATOM 946 ND2 ASN A2109 5.468 0.860 -6.260 1.00 2.60 N ATOM 0 H ASN A2109 2.636 -2.870 -7.187 1.00 0.57 H new ATOM 0 HA ASN A2109 4.150 -1.197 -8.907 1.00 0.64 H new ATOM 0 HB2 ASN A2109 2.582 -0.451 -7.073 1.00 0.82 H new ATOM 0 HB3 ASN A2109 3.753 -1.009 -5.894 1.00 0.82 H new ATOM 0 HD21 ASN A2109 5.996 1.732 -6.292 1.00 2.60 H new ATOM 0 HD22 ASN A2109 5.776 0.099 -5.654 1.00 2.60 H new ATOM 953 N THR A2110 5.777 -2.816 -6.535 1.00 0.65 N ATOM 954 CA THR A2110 7.104 -3.159 -6.056 1.00 0.78 C ATOM 955 C THR A2110 7.684 -4.367 -6.787 1.00 0.81 C ATOM 956 O THR A2110 8.873 -4.395 -7.104 1.00 1.02 O ATOM 957 CB THR A2110 7.084 -3.427 -4.545 1.00 0.83 C ATOM 958 OG1 THR A2110 5.858 -4.079 -4.191 1.00 0.72 O ATOM 959 CG2 THR A2110 7.236 -2.130 -3.765 1.00 1.03 C ATOM 0 H THR A2110 5.013 -3.258 -6.023 1.00 0.65 H new ATOM 0 HA THR A2110 7.746 -2.303 -6.262 1.00 0.78 H new ATOM 0 HB THR A2110 7.924 -4.074 -4.291 1.00 0.83 H new ATOM 0 HG1 THR A2110 5.636 -4.749 -4.870 1.00 0.72 H new ATOM 0 HG21 THR A2110 7.219 -2.344 -2.696 1.00 1.03 H new ATOM 0 HG22 THR A2110 8.183 -1.658 -4.026 1.00 1.03 H new ATOM 0 HG23 THR A2110 6.415 -1.458 -4.013 1.00 1.03 H new ATOM 967 N GLY A2111 6.847 -5.363 -7.057 1.00 0.72 N ATOM 968 CA GLY A2111 7.310 -6.540 -7.768 1.00 0.86 C ATOM 969 C GLY A2111 7.295 -7.783 -6.901 1.00 0.88 C ATOM 970 O GLY A2111 7.417 -8.901 -7.404 1.00 1.05 O ATOM 0 H GLY A2111 5.861 -5.377 -6.798 1.00 0.72 H new ATOM 0 HA2 GLY A2111 6.681 -6.703 -8.643 1.00 0.86 H new ATOM 0 HA3 GLY A2111 8.323 -6.366 -8.132 1.00 0.86 H new ATOM 974 N LEU A2112 7.147 -7.588 -5.598 1.00 0.84 N ATOM 975 CA LEU A2112 7.063 -8.702 -4.660 1.00 0.92 C ATOM 976 C LEU A2112 5.673 -9.327 -4.694 1.00 0.80 C ATOM 977 O LEU A2112 4.870 -9.021 -5.574 1.00 0.97 O ATOM 978 CB LEU A2112 7.425 -8.233 -3.237 1.00 1.21 C ATOM 979 CG LEU A2112 6.811 -6.900 -2.772 1.00 1.05 C ATOM 980 CD1 LEU A2112 5.298 -6.988 -2.649 1.00 1.45 C ATOM 981 CD2 LEU A2112 7.419 -6.481 -1.443 1.00 1.34 C ATOM 0 H LEU A2112 7.082 -6.667 -5.164 1.00 0.84 H new ATOM 0 HA LEU A2112 7.781 -9.465 -4.959 1.00 0.92 H new ATOM 0 HB2 LEU A2112 7.123 -9.010 -2.535 1.00 1.21 H new ATOM 0 HB3 LEU A2112 8.510 -8.149 -3.172 1.00 1.21 H new ATOM 0 HG LEU A2112 7.038 -6.149 -3.529 1.00 1.05 H new ATOM 0 HD11 LEU A2112 4.903 -6.027 -2.319 1.00 1.45 H new ATOM 0 HD12 LEU A2112 4.868 -7.243 -3.618 1.00 1.45 H new ATOM 0 HD13 LEU A2112 5.036 -7.757 -1.922 1.00 1.45 H new ATOM 0 HD21 LEU A2112 6.978 -5.537 -1.123 1.00 1.34 H new ATOM 0 HD22 LEU A2112 7.220 -7.247 -0.694 1.00 1.34 H new ATOM 0 HD23 LEU A2112 8.496 -6.358 -1.558 1.00 1.34 H new ATOM 993 N ASP A2113 5.403 -10.213 -3.748 1.00 0.77 N ATOM 994 CA ASP A2113 4.102 -10.860 -3.656 1.00 0.77 C ATOM 995 C ASP A2113 3.486 -10.602 -2.287 1.00 0.92 C ATOM 996 O ASP A2113 4.160 -10.732 -1.264 1.00 1.14 O ATOM 997 CB ASP A2113 4.243 -12.362 -3.900 1.00 0.83 C ATOM 998 CG ASP A2113 2.903 -13.061 -4.010 1.00 0.91 C ATOM 999 OD1 ASP A2113 2.527 -13.802 -3.073 1.00 0.90 O ATOM 1000 OD2 ASP A2113 2.216 -12.875 -5.036 1.00 1.18 O ATOM 0 H ASP A2113 6.069 -10.501 -3.031 1.00 0.77 H new ATOM 0 HA ASP A2113 3.445 -10.443 -4.419 1.00 0.77 H new ATOM 0 HB2 ASP A2113 4.811 -12.526 -4.816 1.00 0.83 H new ATOM 0 HB3 ASP A2113 4.815 -12.807 -3.086 1.00 0.83 H new ATOM 1005 N LEU A2114 2.217 -10.225 -2.269 1.00 1.05 N ATOM 1006 CA LEU A2114 1.544 -9.880 -1.024 1.00 1.34 C ATOM 1007 C LEU A2114 0.465 -10.899 -0.677 1.00 1.00 C ATOM 1008 O LEU A2114 -0.245 -11.388 -1.552 1.00 1.04 O ATOM 1009 CB LEU A2114 0.925 -8.483 -1.124 1.00 1.98 C ATOM 1010 CG LEU A2114 1.925 -7.333 -1.265 1.00 2.33 C ATOM 1011 CD1 LEU A2114 1.195 -6.008 -1.410 1.00 2.71 C ATOM 1012 CD2 LEU A2114 2.861 -7.292 -0.068 1.00 2.95 C ATOM 0 H LEU A2114 1.632 -10.150 -3.101 1.00 1.05 H new ATOM 0 HA LEU A2114 2.290 -9.888 -0.229 1.00 1.34 H new ATOM 0 HB2 LEU A2114 0.250 -8.463 -1.980 1.00 1.98 H new ATOM 0 HB3 LEU A2114 0.318 -8.308 -0.236 1.00 1.98 H new ATOM 0 HG LEU A2114 2.518 -7.502 -2.164 1.00 2.33 H new ATOM 0 HD11 LEU A2114 1.921 -5.201 -1.509 1.00 2.71 H new ATOM 0 HD12 LEU A2114 0.561 -6.037 -2.296 1.00 2.71 H new ATOM 0 HD13 LEU A2114 0.578 -5.834 -0.528 1.00 2.71 H new ATOM 0 HD21 LEU A2114 3.565 -6.468 -0.185 1.00 2.95 H new ATOM 0 HD22 LEU A2114 2.280 -7.147 0.843 1.00 2.95 H new ATOM 0 HD23 LEU A2114 3.409 -8.232 -0.003 1.00 2.95 H new ATOM 1024 N PRO A2115 0.340 -11.229 0.618 1.00 0.85 N ATOM 1025 CA PRO A2115 -0.685 -12.156 1.116 1.00 0.64 C ATOM 1026 C PRO A2115 -2.090 -11.579 0.992 1.00 0.57 C ATOM 1027 O PRO A2115 -2.278 -10.375 1.117 1.00 0.58 O ATOM 1028 CB PRO A2115 -0.330 -12.319 2.597 1.00 0.76 C ATOM 1029 CG PRO A2115 0.451 -11.104 2.948 1.00 0.98 C ATOM 1030 CD PRO A2115 1.199 -10.722 1.704 1.00 1.10 C ATOM 0 HA PRO A2115 -0.693 -13.089 0.552 1.00 0.64 H new ATOM 0 HB2 PRO A2115 -1.228 -12.401 3.210 1.00 0.76 H new ATOM 0 HB3 PRO A2115 0.254 -13.224 2.764 1.00 0.76 H new ATOM 0 HG2 PRO A2115 -0.206 -10.297 3.272 1.00 0.98 H new ATOM 0 HG3 PRO A2115 1.138 -11.305 3.770 1.00 0.98 H new ATOM 0 HD2 PRO A2115 1.339 -9.643 1.635 1.00 1.10 H new ATOM 0 HD3 PRO A2115 2.190 -11.175 1.676 1.00 1.10 H new ATOM 1038 N PRO A2116 -3.099 -12.440 0.767 1.00 0.57 N ATOM 1039 CA PRO A2116 -4.509 -12.023 0.669 1.00 0.62 C ATOM 1040 C PRO A2116 -5.019 -11.381 1.959 1.00 0.58 C ATOM 1041 O PRO A2116 -6.116 -10.823 2.002 1.00 0.68 O ATOM 1042 CB PRO A2116 -5.259 -13.333 0.397 1.00 0.73 C ATOM 1043 CG PRO A2116 -4.328 -14.413 0.832 1.00 0.75 C ATOM 1044 CD PRO A2116 -2.946 -13.891 0.576 1.00 0.63 C ATOM 0 HA PRO A2116 -4.650 -11.267 -0.104 1.00 0.62 H new ATOM 0 HB2 PRO A2116 -6.196 -13.373 0.953 1.00 0.73 H new ATOM 0 HB3 PRO A2116 -5.510 -13.431 -0.659 1.00 0.73 H new ATOM 0 HG2 PRO A2116 -4.468 -14.648 1.887 1.00 0.75 H new ATOM 0 HG3 PRO A2116 -4.508 -15.332 0.274 1.00 0.75 H new ATOM 0 HD2 PRO A2116 -2.220 -14.315 1.269 1.00 0.63 H new ATOM 0 HD3 PRO A2116 -2.604 -14.132 -0.431 1.00 0.63 H new ATOM 1052 N THR A2117 -4.208 -11.459 3.001 1.00 0.54 N ATOM 1053 CA THR A2117 -4.537 -10.882 4.292 1.00 0.59 C ATOM 1054 C THR A2117 -3.899 -9.504 4.441 1.00 0.50 C ATOM 1055 O THR A2117 -3.968 -8.885 5.495 1.00 0.54 O ATOM 1056 CB THR A2117 -4.078 -11.802 5.434 1.00 0.73 C ATOM 1057 OG1 THR A2117 -2.800 -12.373 5.110 1.00 0.74 O ATOM 1058 CG2 THR A2117 -5.095 -12.907 5.682 1.00 0.86 C ATOM 0 H THR A2117 -3.301 -11.925 2.974 1.00 0.54 H new ATOM 0 HA THR A2117 -5.620 -10.775 4.348 1.00 0.59 H new ATOM 0 HB THR A2117 -3.991 -11.209 6.344 1.00 0.73 H new ATOM 0 HG1 THR A2117 -2.508 -12.958 5.840 1.00 0.74 H new ATOM 0 HG21 THR A2117 -4.748 -13.545 6.495 1.00 0.86 H new ATOM 0 HG22 THR A2117 -6.054 -12.465 5.952 1.00 0.86 H new ATOM 0 HG23 THR A2117 -5.212 -13.503 4.777 1.00 0.86 H new ATOM 1066 N LEU A2118 -3.252 -9.062 3.372 1.00 0.45 N ATOM 1067 CA LEU A2118 -2.637 -7.738 3.294 1.00 0.45 C ATOM 1068 C LEU A2118 -3.553 -6.642 3.857 1.00 0.41 C ATOM 1069 O LEU A2118 -3.274 -6.069 4.914 1.00 0.43 O ATOM 1070 CB LEU A2118 -2.310 -7.450 1.827 1.00 0.49 C ATOM 1071 CG LEU A2118 -1.180 -6.464 1.553 1.00 0.40 C ATOM 1072 CD1 LEU A2118 -1.640 -5.033 1.737 1.00 0.70 C ATOM 1073 CD2 LEU A2118 0.014 -6.774 2.431 1.00 0.65 C ATOM 0 H LEU A2118 -3.136 -9.616 2.523 1.00 0.45 H new ATOM 0 HA LEU A2118 -1.732 -7.734 3.901 1.00 0.45 H new ATOM 0 HB2 LEU A2118 -2.061 -8.394 1.343 1.00 0.49 H new ATOM 0 HB3 LEU A2118 -3.213 -7.074 1.346 1.00 0.49 H new ATOM 0 HG LEU A2118 -0.877 -6.574 0.512 1.00 0.40 H new ATOM 0 HD11 LEU A2118 -0.811 -4.355 1.534 1.00 0.70 H new ATOM 0 HD12 LEU A2118 -2.458 -4.822 1.048 1.00 0.70 H new ATOM 0 HD13 LEU A2118 -1.983 -4.890 2.762 1.00 0.70 H new ATOM 0 HD21 LEU A2118 0.813 -6.062 2.224 1.00 0.65 H new ATOM 0 HD22 LEU A2118 -0.276 -6.700 3.479 1.00 0.65 H new ATOM 0 HD23 LEU A2118 0.366 -7.784 2.223 1.00 0.65 H new ATOM 1085 N ILE A2119 -4.645 -6.363 3.150 1.00 0.38 N ATOM 1086 CA ILE A2119 -5.582 -5.319 3.557 1.00 0.40 C ATOM 1087 C ILE A2119 -6.441 -5.819 4.716 1.00 0.42 C ATOM 1088 O ILE A2119 -7.035 -5.042 5.462 1.00 0.50 O ATOM 1089 CB ILE A2119 -6.484 -4.899 2.372 1.00 0.42 C ATOM 1090 CG1 ILE A2119 -5.628 -4.512 1.160 1.00 0.40 C ATOM 1091 CG2 ILE A2119 -7.409 -3.750 2.757 1.00 0.42 C ATOM 1092 CD1 ILE A2119 -4.708 -3.335 1.401 1.00 0.33 C ATOM 0 H ILE A2119 -4.903 -6.847 2.290 1.00 0.38 H new ATOM 0 HA ILE A2119 -5.012 -4.448 3.880 1.00 0.40 H new ATOM 0 HB ILE A2119 -7.106 -5.754 2.107 1.00 0.42 H new ATOM 0 HG12 ILE A2119 -5.029 -5.373 0.863 1.00 0.40 H new ATOM 0 HG13 ILE A2119 -6.287 -4.279 0.324 1.00 0.40 H new ATOM 0 HG21 ILE A2119 -8.029 -3.480 1.902 1.00 0.42 H new ATOM 0 HG22 ILE A2119 -8.047 -4.059 3.585 1.00 0.42 H new ATOM 0 HG23 ILE A2119 -6.813 -2.889 3.060 1.00 0.42 H new ATOM 0 HD11 ILE A2119 -4.139 -3.127 0.495 1.00 0.33 H new ATOM 0 HD12 ILE A2119 -5.300 -2.459 1.667 1.00 0.33 H new ATOM 0 HD13 ILE A2119 -4.022 -3.570 2.215 1.00 0.33 H new ATOM 1104 N PHE A2120 -6.479 -7.134 4.853 1.00 0.46 N ATOM 1105 CA PHE A2120 -7.186 -7.795 5.940 1.00 0.53 C ATOM 1106 C PHE A2120 -6.563 -7.412 7.284 1.00 0.52 C ATOM 1107 O PHE A2120 -7.258 -7.033 8.227 1.00 0.60 O ATOM 1108 CB PHE A2120 -7.100 -9.312 5.725 1.00 0.61 C ATOM 1109 CG PHE A2120 -7.862 -10.152 6.709 1.00 1.47 C ATOM 1110 CD1 PHE A2120 -9.077 -10.709 6.358 1.00 1.67 C ATOM 1111 CD2 PHE A2120 -7.360 -10.391 7.977 1.00 2.50 C ATOM 1112 CE1 PHE A2120 -9.782 -11.488 7.254 1.00 2.55 C ATOM 1113 CE2 PHE A2120 -8.059 -11.168 8.878 1.00 3.49 C ATOM 1114 CZ PHE A2120 -9.272 -11.717 8.517 1.00 3.43 C ATOM 0 H PHE A2120 -6.018 -7.778 4.210 1.00 0.46 H new ATOM 0 HA PHE A2120 -8.230 -7.482 5.949 1.00 0.53 H new ATOM 0 HB2 PHE A2120 -7.463 -9.540 4.723 1.00 0.61 H new ATOM 0 HB3 PHE A2120 -6.051 -9.607 5.759 1.00 0.61 H new ATOM 0 HD1 PHE A2120 -9.480 -10.533 5.372 1.00 1.67 H new ATOM 0 HD2 PHE A2120 -6.410 -9.964 8.264 1.00 2.50 H new ATOM 0 HE1 PHE A2120 -10.731 -11.918 6.968 1.00 2.55 H new ATOM 0 HE2 PHE A2120 -7.657 -11.346 9.864 1.00 3.49 H new ATOM 0 HZ PHE A2120 -9.822 -12.325 9.221 1.00 3.43 H new ATOM 1124 N ASP A2121 -5.242 -7.507 7.351 1.00 0.48 N ATOM 1125 CA ASP A2121 -4.508 -7.274 8.584 1.00 0.49 C ATOM 1126 C ASP A2121 -4.153 -5.808 8.783 1.00 0.45 C ATOM 1127 O ASP A2121 -4.270 -5.284 9.889 1.00 0.51 O ATOM 1128 CB ASP A2121 -3.224 -8.105 8.606 1.00 0.50 C ATOM 1129 CG ASP A2121 -3.453 -9.544 9.022 1.00 1.20 C ATOM 1130 OD1 ASP A2121 -3.643 -9.796 10.231 1.00 1.42 O ATOM 1131 OD2 ASP A2121 -3.419 -10.433 8.149 1.00 2.00 O ATOM 0 H ASP A2121 -4.652 -7.747 6.554 1.00 0.48 H new ATOM 0 HA ASP A2121 -5.166 -7.575 9.399 1.00 0.49 H new ATOM 0 HB2 ASP A2121 -2.770 -8.088 7.615 1.00 0.50 H new ATOM 0 HB3 ASP A2121 -2.512 -7.644 9.291 1.00 0.50 H new ATOM 1136 N HIS A2122 -3.711 -5.137 7.725 1.00 0.38 N ATOM 1137 CA HIS A2122 -3.166 -3.789 7.886 1.00 0.37 C ATOM 1138 C HIS A2122 -3.869 -2.777 6.997 1.00 0.34 C ATOM 1139 O HIS A2122 -3.227 -2.188 6.131 1.00 0.32 O ATOM 1140 CB HIS A2122 -1.665 -3.745 7.541 1.00 0.35 C ATOM 1141 CG HIS A2122 -0.919 -5.008 7.839 1.00 0.45 C ATOM 1142 ND1 HIS A2122 -0.471 -5.342 9.097 1.00 0.63 N ATOM 1143 CD2 HIS A2122 -0.547 -6.030 7.023 1.00 0.51 C ATOM 1144 CE1 HIS A2122 0.143 -6.508 9.048 1.00 0.71 C ATOM 1145 NE2 HIS A2122 0.110 -6.946 7.805 1.00 0.63 N ATOM 0 H HIS A2122 -3.717 -5.491 6.768 1.00 0.38 H new ATOM 0 HA HIS A2122 -3.324 -3.531 8.933 1.00 0.37 H new ATOM 0 HB2 HIS A2122 -1.556 -3.516 6.481 1.00 0.35 H new ATOM 0 HB3 HIS A2122 -1.203 -2.927 8.093 1.00 0.35 H new ATOM 0 HD2 HIS A2122 -0.733 -6.106 5.962 1.00 0.51 H new ATOM 0 HE1 HIS A2122 0.596 -7.018 9.885 1.00 0.71 H new ATOM 0 HE2 HIS A2122 0.509 -7.825 7.477 1.00 0.63 H new ATOM 1154 N PRO A2123 -5.173 -2.521 7.158 1.00 0.36 N ATOM 1155 CA PRO A2123 -5.787 -1.492 6.355 1.00 0.34 C ATOM 1156 C PRO A2123 -5.534 -0.110 6.946 1.00 0.32 C ATOM 1157 O PRO A2123 -6.150 0.286 7.942 1.00 0.36 O ATOM 1158 CB PRO A2123 -7.269 -1.853 6.419 1.00 0.40 C ATOM 1159 CG PRO A2123 -7.445 -2.554 7.730 1.00 0.43 C ATOM 1160 CD PRO A2123 -6.114 -3.165 8.089 1.00 0.41 C ATOM 0 HA PRO A2123 -5.396 -1.448 5.338 1.00 0.34 H new ATOM 0 HB2 PRO A2123 -7.894 -0.962 6.362 1.00 0.40 H new ATOM 0 HB3 PRO A2123 -7.554 -2.497 5.587 1.00 0.40 H new ATOM 0 HG2 PRO A2123 -7.768 -1.854 8.501 1.00 0.43 H new ATOM 0 HG3 PRO A2123 -8.214 -3.323 7.655 1.00 0.43 H new ATOM 0 HD2 PRO A2123 -5.849 -2.966 9.128 1.00 0.41 H new ATOM 0 HD3 PRO A2123 -6.123 -4.248 7.964 1.00 0.41 H new ATOM 1168 N THR A2124 -4.628 0.613 6.306 1.00 0.27 N ATOM 1169 CA THR A2124 -4.365 2.022 6.564 1.00 0.23 C ATOM 1170 C THR A2124 -3.297 2.499 5.583 1.00 0.22 C ATOM 1171 O THR A2124 -2.380 1.735 5.276 1.00 0.26 O ATOM 1172 CB THR A2124 -3.896 2.314 8.008 1.00 0.31 C ATOM 1173 OG1 THR A2124 -3.660 1.097 8.724 1.00 0.50 O ATOM 1174 CG2 THR A2124 -4.924 3.142 8.756 1.00 0.29 C ATOM 0 H THR A2124 -4.037 0.225 5.571 1.00 0.27 H new ATOM 0 HA THR A2124 -5.306 2.556 6.433 1.00 0.23 H new ATOM 0 HB THR A2124 -2.965 2.877 7.940 1.00 0.31 H new ATOM 0 HG1 THR A2124 -3.363 1.305 9.634 1.00 0.50 H new ATOM 0 HG21 THR A2124 -4.570 3.333 9.769 1.00 0.29 H new ATOM 0 HG22 THR A2124 -5.074 4.090 8.239 1.00 0.29 H new ATOM 0 HG23 THR A2124 -5.868 2.599 8.798 1.00 0.29 H new ATOM 1182 N PRO A2125 -3.380 3.729 5.068 1.00 0.19 N ATOM 1183 CA PRO A2125 -2.388 4.234 4.111 1.00 0.18 C ATOM 1184 C PRO A2125 -0.967 4.195 4.686 1.00 0.17 C ATOM 1185 O PRO A2125 -0.064 3.580 4.109 1.00 0.20 O ATOM 1186 CB PRO A2125 -2.837 5.673 3.853 1.00 0.22 C ATOM 1187 CG PRO A2125 -4.283 5.690 4.219 1.00 0.25 C ATOM 1188 CD PRO A2125 -4.428 4.717 5.354 1.00 0.24 C ATOM 0 HA PRO A2125 -2.343 3.630 3.205 1.00 0.18 H new ATOM 0 HB2 PRO A2125 -2.267 6.380 4.457 1.00 0.22 H new ATOM 0 HB3 PRO A2125 -2.689 5.953 2.810 1.00 0.22 H new ATOM 0 HG2 PRO A2125 -4.599 6.689 4.518 1.00 0.25 H new ATOM 0 HG3 PRO A2125 -4.904 5.399 3.372 1.00 0.25 H new ATOM 0 HD2 PRO A2125 -4.278 5.198 6.321 1.00 0.24 H new ATOM 0 HD3 PRO A2125 -5.419 4.262 5.374 1.00 0.24 H new ATOM 1196 N HIS A2126 -0.787 4.818 5.850 1.00 0.23 N ATOM 1197 CA HIS A2126 0.526 4.902 6.487 1.00 0.31 C ATOM 1198 C HIS A2126 1.017 3.531 6.944 1.00 0.29 C ATOM 1199 O HIS A2126 2.205 3.225 6.850 1.00 0.32 O ATOM 1200 CB HIS A2126 0.476 5.857 7.685 1.00 0.45 C ATOM 1201 CG HIS A2126 1.778 5.978 8.425 1.00 0.58 C ATOM 1202 ND1 HIS A2126 2.818 6.774 8.000 1.00 0.65 N ATOM 1203 CD2 HIS A2126 2.204 5.386 9.566 1.00 0.71 C ATOM 1204 CE1 HIS A2126 3.827 6.667 8.844 1.00 0.77 C ATOM 1205 NE2 HIS A2126 3.480 5.831 9.804 1.00 0.80 N ATOM 0 H HIS A2126 -1.536 5.273 6.372 1.00 0.23 H new ATOM 0 HA HIS A2126 1.227 5.285 5.745 1.00 0.31 H new ATOM 0 HB2 HIS A2126 0.175 6.845 7.337 1.00 0.45 H new ATOM 0 HB3 HIS A2126 -0.293 5.515 8.377 1.00 0.45 H new ATOM 0 HD2 HIS A2126 1.644 4.692 10.175 1.00 0.71 H new ATOM 0 HE1 HIS A2126 4.775 7.177 8.763 1.00 0.77 H new ATOM 0 HE2 HIS A2126 4.065 5.560 10.594 1.00 0.80 H new ATOM 1214 N ALA A2127 0.102 2.716 7.447 1.00 0.28 N ATOM 1215 CA ALA A2127 0.459 1.405 7.973 1.00 0.29 C ATOM 1216 C ALA A2127 1.009 0.502 6.878 1.00 0.26 C ATOM 1217 O ALA A2127 2.023 -0.173 7.069 1.00 0.30 O ATOM 1218 CB ALA A2127 -0.738 0.762 8.644 1.00 0.34 C ATOM 0 H ALA A2127 -0.892 2.938 7.503 1.00 0.28 H new ATOM 0 HA ALA A2127 1.244 1.542 8.716 1.00 0.29 H new ATOM 0 HB1 ALA A2127 -0.455 -0.217 9.032 1.00 0.34 H new ATOM 0 HB2 ALA A2127 -1.078 1.393 9.465 1.00 0.34 H new ATOM 0 HB3 ALA A2127 -1.543 0.646 7.918 1.00 0.34 H new ATOM 1224 N LEU A2128 0.347 0.499 5.727 1.00 0.22 N ATOM 1225 CA LEU A2128 0.821 -0.270 4.587 1.00 0.21 C ATOM 1226 C LEU A2128 2.182 0.234 4.126 1.00 0.21 C ATOM 1227 O LEU A2128 3.009 -0.547 3.656 1.00 0.23 O ATOM 1228 CB LEU A2128 -0.176 -0.207 3.432 1.00 0.21 C ATOM 1229 CG LEU A2128 -1.454 -1.011 3.640 1.00 0.37 C ATOM 1230 CD1 LEU A2128 -2.364 -0.867 2.432 1.00 0.60 C ATOM 1231 CD2 LEU A2128 -1.122 -2.473 3.888 1.00 0.64 C ATOM 0 H LEU A2128 -0.515 1.018 5.560 1.00 0.22 H new ATOM 0 HA LEU A2128 0.919 -1.308 4.904 1.00 0.21 H new ATOM 0 HB2 LEU A2128 -0.444 0.835 3.260 1.00 0.21 H new ATOM 0 HB3 LEU A2128 0.316 -0.563 2.527 1.00 0.21 H new ATOM 0 HG LEU A2128 -1.976 -0.624 4.515 1.00 0.37 H new ATOM 0 HD11 LEU A2128 -3.274 -1.445 2.591 1.00 0.60 H new ATOM 0 HD12 LEU A2128 -2.621 0.183 2.293 1.00 0.60 H new ATOM 0 HD13 LEU A2128 -1.851 -1.235 1.544 1.00 0.60 H new ATOM 0 HD21 LEU A2128 -2.044 -3.036 4.035 1.00 0.64 H new ATOM 0 HD22 LEU A2128 -0.585 -2.875 3.029 1.00 0.64 H new ATOM 0 HD23 LEU A2128 -0.499 -2.559 4.778 1.00 0.64 H new ATOM 1243 N THR A2129 2.408 1.538 4.275 1.00 0.21 N ATOM 1244 CA THR A2129 3.696 2.136 3.947 1.00 0.24 C ATOM 1245 C THR A2129 4.812 1.438 4.705 1.00 0.25 C ATOM 1246 O THR A2129 5.802 1.001 4.121 1.00 0.33 O ATOM 1247 CB THR A2129 3.724 3.640 4.289 1.00 0.27 C ATOM 1248 OG1 THR A2129 2.721 4.334 3.538 1.00 0.27 O ATOM 1249 CG2 THR A2129 5.096 4.246 4.008 1.00 0.32 C ATOM 0 H THR A2129 1.713 2.200 4.621 1.00 0.21 H new ATOM 0 HA THR A2129 3.845 2.017 2.874 1.00 0.24 H new ATOM 0 HB THR A2129 3.517 3.747 5.354 1.00 0.27 H new ATOM 0 HG1 THR A2129 1.834 4.010 3.800 1.00 0.27 H new ATOM 0 HG21 THR A2129 5.084 5.307 4.259 1.00 0.32 H new ATOM 0 HG22 THR A2129 5.848 3.739 4.612 1.00 0.32 H new ATOM 0 HG23 THR A2129 5.337 4.126 2.952 1.00 0.32 H new ATOM 1257 N GLN A2130 4.625 1.324 6.006 1.00 0.25 N ATOM 1258 CA GLN A2130 5.599 0.685 6.870 1.00 0.28 C ATOM 1259 C GLN A2130 5.741 -0.790 6.516 1.00 0.23 C ATOM 1260 O GLN A2130 6.849 -1.331 6.503 1.00 0.22 O ATOM 1261 CB GLN A2130 5.162 0.842 8.323 1.00 0.38 C ATOM 1262 CG GLN A2130 4.851 2.281 8.702 1.00 0.52 C ATOM 1263 CD GLN A2130 6.056 3.034 9.235 1.00 1.39 C ATOM 1264 OE1 GLN A2130 6.322 3.027 10.436 1.00 2.22 O ATOM 1265 NE2 GLN A2130 6.782 3.702 8.351 1.00 1.90 N ATOM 0 H GLN A2130 3.798 1.670 6.492 1.00 0.25 H new ATOM 0 HA GLN A2130 6.569 1.161 6.730 1.00 0.28 H new ATOM 0 HB2 GLN A2130 4.279 0.228 8.499 1.00 0.38 H new ATOM 0 HB3 GLN A2130 5.949 0.463 8.975 1.00 0.38 H new ATOM 0 HG2 GLN A2130 4.462 2.804 7.828 1.00 0.52 H new ATOM 0 HG3 GLN A2130 4.063 2.289 9.456 1.00 0.52 H new ATOM 0 HE21 GLN A2130 6.528 3.682 7.363 1.00 1.90 H new ATOM 0 HE22 GLN A2130 7.595 4.236 8.658 1.00 1.90 H new ATOM 1274 N HIS A2131 4.616 -1.429 6.212 1.00 0.25 N ATOM 1275 CA HIS A2131 4.616 -2.835 5.831 1.00 0.27 C ATOM 1276 C HIS A2131 5.456 -3.045 4.580 1.00 0.26 C ATOM 1277 O HIS A2131 6.444 -3.775 4.606 1.00 0.30 O ATOM 1278 CB HIS A2131 3.186 -3.341 5.595 1.00 0.32 C ATOM 1279 CG HIS A2131 3.118 -4.788 5.187 1.00 0.40 C ATOM 1280 ND1 HIS A2131 2.838 -5.358 3.990 1.00 0.52 N flip ATOM 1281 CD2 HIS A2131 3.394 -5.833 6.045 1.00 0.42 C flip ATOM 1282 CE1 HIS A2131 2.956 -6.714 4.147 1.00 0.59 C flip ATOM 1283 NE2 HIS A2131 3.294 -6.976 5.390 1.00 0.53 N flip ATOM 0 H HIS A2131 3.693 -0.995 6.222 1.00 0.25 H new ATOM 0 HA HIS A2131 5.051 -3.406 6.651 1.00 0.27 H new ATOM 0 HB2 HIS A2131 2.605 -3.202 6.507 1.00 0.32 H new ATOM 0 HB3 HIS A2131 2.717 -2.732 4.822 1.00 0.32 H new ATOM 0 HD2 HIS A2131 3.652 -5.732 7.089 1.00 0.42 H new ATOM 0 HE1 HIS A2131 2.797 -7.450 3.373 1.00 0.59 H new ATOM 0 HE2 HIS A2131 3.452 -7.904 5.782 1.00 0.53 H new ATOM 1292 N LEU A2132 5.066 -2.382 3.496 1.00 0.27 N ATOM 1293 CA LEU A2132 5.760 -2.519 2.216 1.00 0.33 C ATOM 1294 C LEU A2132 7.210 -2.062 2.321 1.00 0.35 C ATOM 1295 O LEU A2132 8.085 -2.593 1.635 1.00 0.47 O ATOM 1296 CB LEU A2132 5.046 -1.736 1.107 1.00 0.36 C ATOM 1297 CG LEU A2132 3.903 -2.472 0.392 1.00 0.42 C ATOM 1298 CD1 LEU A2132 4.387 -3.798 -0.178 1.00 0.48 C ATOM 1299 CD2 LEU A2132 2.722 -2.689 1.326 1.00 0.42 C ATOM 0 H LEU A2132 4.272 -1.743 3.476 1.00 0.27 H new ATOM 0 HA LEU A2132 5.747 -3.578 1.957 1.00 0.33 H new ATOM 0 HB2 LEU A2132 4.647 -0.817 1.537 1.00 0.36 H new ATOM 0 HB3 LEU A2132 5.786 -1.444 0.362 1.00 0.36 H new ATOM 0 HG LEU A2132 3.568 -1.845 -0.435 1.00 0.42 H new ATOM 0 HD11 LEU A2132 3.561 -4.302 -0.680 1.00 0.48 H new ATOM 0 HD12 LEU A2132 5.189 -3.615 -0.893 1.00 0.48 H new ATOM 0 HD13 LEU A2132 4.758 -4.428 0.630 1.00 0.48 H new ATOM 0 HD21 LEU A2132 1.928 -3.212 0.793 1.00 0.42 H new ATOM 0 HD22 LEU A2132 3.039 -3.286 2.181 1.00 0.42 H new ATOM 0 HD23 LEU A2132 2.351 -1.725 1.674 1.00 0.42 H new ATOM 1311 N HIS A2133 7.469 -1.086 3.187 1.00 0.28 N ATOM 1312 CA HIS A2133 8.822 -0.598 3.382 1.00 0.34 C ATOM 1313 C HIS A2133 9.680 -1.696 3.997 1.00 0.38 C ATOM 1314 O HIS A2133 10.725 -2.048 3.454 1.00 0.55 O ATOM 1315 CB HIS A2133 8.812 0.657 4.263 1.00 0.36 C ATOM 1316 CG HIS A2133 10.153 1.303 4.444 1.00 0.47 C ATOM 1317 ND1 HIS A2133 10.812 1.354 5.651 1.00 0.59 N ATOM 1318 CD2 HIS A2133 10.945 1.952 3.559 1.00 0.53 C ATOM 1319 CE1 HIS A2133 11.949 2.007 5.502 1.00 0.67 C ATOM 1320 NE2 HIS A2133 12.058 2.381 4.242 1.00 0.63 N ATOM 0 H HIS A2133 6.762 -0.623 3.759 1.00 0.28 H new ATOM 0 HA HIS A2133 9.251 -0.325 2.418 1.00 0.34 H new ATOM 0 HB2 HIS A2133 8.128 1.385 3.827 1.00 0.36 H new ATOM 0 HB3 HIS A2133 8.415 0.394 5.243 1.00 0.36 H new ATOM 0 HD2 HIS A2133 10.740 2.105 2.510 1.00 0.53 H new ATOM 0 HE1 HIS A2133 12.670 2.203 6.282 1.00 0.67 H new ATOM 0 HE2 HIS A2133 12.838 2.902 3.841 1.00 0.63 H new ATOM 1329 N THR A2134 9.205 -2.261 5.101 1.00 0.32 N ATOM 1330 CA THR A2134 9.916 -3.315 5.810 1.00 0.43 C ATOM 1331 C THR A2134 10.205 -4.499 4.896 1.00 0.51 C ATOM 1332 O THR A2134 11.299 -5.052 4.929 1.00 0.66 O ATOM 1333 CB THR A2134 9.095 -3.788 7.028 1.00 0.55 C ATOM 1334 OG1 THR A2134 8.735 -2.660 7.838 1.00 0.59 O ATOM 1335 CG2 THR A2134 9.878 -4.779 7.870 1.00 0.74 C ATOM 0 H THR A2134 8.316 -2.001 5.529 1.00 0.32 H new ATOM 0 HA THR A2134 10.866 -2.904 6.151 1.00 0.43 H new ATOM 0 HB THR A2134 8.198 -4.283 6.656 1.00 0.55 H new ATOM 0 HG1 THR A2134 7.848 -2.337 7.574 1.00 0.59 H new ATOM 0 HG21 THR A2134 9.272 -5.093 8.720 1.00 0.74 H new ATOM 0 HG22 THR A2134 10.133 -5.649 7.265 1.00 0.74 H new ATOM 0 HG23 THR A2134 10.792 -4.308 8.231 1.00 0.74 H new ATOM 1343 N ARG A2135 9.234 -4.854 4.060 1.00 0.52 N ATOM 1344 CA ARG A2135 9.357 -6.004 3.176 1.00 0.71 C ATOM 1345 C ARG A2135 10.687 -6.030 2.441 1.00 0.88 C ATOM 1346 O ARG A2135 11.449 -6.986 2.564 1.00 1.12 O ATOM 1347 CB ARG A2135 8.211 -6.013 2.171 1.00 0.76 C ATOM 1348 CG ARG A2135 6.849 -6.060 2.832 1.00 0.74 C ATOM 1349 CD ARG A2135 6.533 -7.423 3.427 1.00 0.86 C ATOM 1350 NE ARG A2135 7.602 -7.979 4.256 1.00 1.75 N ATOM 1351 CZ ARG A2135 7.537 -8.108 5.581 1.00 2.11 C ATOM 1352 NH1 ARG A2135 6.502 -7.627 6.256 1.00 1.86 N ATOM 1353 NH2 ARG A2135 8.521 -8.709 6.228 1.00 3.18 N ATOM 0 H ARG A2135 8.348 -4.356 3.978 1.00 0.52 H new ATOM 0 HA ARG A2135 9.312 -6.897 3.800 1.00 0.71 H new ATOM 0 HB2 ARG A2135 8.275 -5.122 1.546 1.00 0.76 H new ATOM 0 HB3 ARG A2135 8.319 -6.874 1.511 1.00 0.76 H new ATOM 0 HG2 ARG A2135 6.805 -5.306 3.618 1.00 0.74 H new ATOM 0 HG3 ARG A2135 6.085 -5.802 2.099 1.00 0.74 H new ATOM 0 HD2 ARG A2135 5.627 -7.343 4.028 1.00 0.86 H new ATOM 0 HD3 ARG A2135 6.318 -8.119 2.617 1.00 0.86 H new ATOM 0 HE ARG A2135 8.454 -8.289 3.789 1.00 1.75 H new ATOM 0 HH11 ARG A2135 5.746 -7.153 5.761 1.00 1.86 H new ATOM 0 HH12 ARG A2135 6.462 -7.731 7.270 1.00 1.86 H new ATOM 0 HH21 ARG A2135 9.324 -9.071 5.713 1.00 3.18 H new ATOM 0 HH22 ARG A2135 8.477 -8.811 7.242 1.00 3.18 H new ATOM 1367 N LEU A2136 10.969 -4.975 1.699 1.00 0.92 N ATOM 1368 CA LEU A2136 12.147 -4.937 0.865 1.00 1.20 C ATOM 1369 C LEU A2136 13.358 -4.375 1.589 1.00 1.16 C ATOM 1370 O LEU A2136 14.476 -4.798 1.328 1.00 1.43 O ATOM 1371 CB LEU A2136 11.842 -4.111 -0.365 1.00 1.43 C ATOM 1372 CG LEU A2136 10.745 -4.686 -1.244 1.00 1.71 C ATOM 1373 CD1 LEU A2136 10.451 -3.737 -2.378 1.00 2.17 C ATOM 1374 CD2 LEU A2136 11.138 -6.061 -1.764 1.00 2.37 C ATOM 0 H LEU A2136 10.394 -4.133 1.660 1.00 0.92 H new ATOM 0 HA LEU A2136 12.400 -5.960 0.588 1.00 1.20 H new ATOM 0 HB2 LEU A2136 11.553 -3.107 -0.053 1.00 1.43 H new ATOM 0 HB3 LEU A2136 12.752 -4.011 -0.957 1.00 1.43 H new ATOM 0 HG LEU A2136 9.839 -4.806 -0.650 1.00 1.71 H new ATOM 0 HD11 LEU A2136 9.663 -4.153 -3.006 1.00 2.17 H new ATOM 0 HD12 LEU A2136 10.125 -2.778 -1.975 1.00 2.17 H new ATOM 0 HD13 LEU A2136 11.352 -3.592 -2.974 1.00 2.17 H new ATOM 0 HD21 LEU A2136 10.338 -6.455 -2.391 1.00 2.37 H new ATOM 0 HD22 LEU A2136 12.053 -5.980 -2.351 1.00 2.37 H new ATOM 0 HD23 LEU A2136 11.304 -6.734 -0.923 1.00 2.37 H new ATOM 1386 N THR A2137 13.145 -3.446 2.510 1.00 0.96 N ATOM 1387 CA THR A2137 14.273 -2.766 3.146 1.00 1.08 C ATOM 1388 C THR A2137 14.920 -3.661 4.190 1.00 1.17 C ATOM 1389 O THR A2137 16.130 -3.612 4.409 1.00 1.41 O ATOM 1390 CB THR A2137 13.868 -1.428 3.791 1.00 1.13 C ATOM 1391 OG1 THR A2137 12.867 -1.641 4.794 1.00 1.23 O ATOM 1392 CG2 THR A2137 13.344 -0.463 2.739 1.00 1.15 C ATOM 0 H THR A2137 12.224 -3.148 2.831 1.00 0.96 H new ATOM 0 HA THR A2137 14.990 -2.548 2.355 1.00 1.08 H new ATOM 0 HB THR A2137 14.753 -0.994 4.257 1.00 1.13 H new ATOM 0 HG1 THR A2137 12.082 -2.065 4.388 1.00 1.23 H new ATOM 0 HG21 THR A2137 13.063 0.477 3.215 1.00 1.15 H new ATOM 0 HG22 THR A2137 14.121 -0.276 1.997 1.00 1.15 H new ATOM 0 HG23 THR A2137 12.472 -0.897 2.250 1.00 1.15 H new ATOM 1400 N GLN A2138 14.101 -4.486 4.818 1.00 1.17 N ATOM 1401 CA GLN A2138 14.572 -5.442 5.796 1.00 1.45 C ATOM 1402 C GLN A2138 15.014 -6.731 5.099 1.00 1.71 C ATOM 1403 O GLN A2138 15.710 -7.565 5.684 1.00 2.00 O ATOM 1404 CB GLN A2138 13.466 -5.688 6.828 1.00 1.78 C ATOM 1405 CG GLN A2138 12.995 -7.120 6.885 1.00 1.32 C ATOM 1406 CD GLN A2138 12.190 -7.434 8.131 1.00 1.91 C ATOM 1407 OE1 GLN A2138 12.384 -6.829 9.184 1.00 2.46 O ATOM 1408 NE2 GLN A2138 11.287 -8.396 8.021 1.00 2.57 N ATOM 0 H GLN A2138 13.093 -4.510 4.663 1.00 1.17 H new ATOM 0 HA GLN A2138 15.443 -5.050 6.322 1.00 1.45 H new ATOM 0 HB2 GLN A2138 13.829 -5.395 7.813 1.00 1.78 H new ATOM 0 HB3 GLN A2138 12.617 -5.045 6.597 1.00 1.78 H new ATOM 0 HG2 GLN A2138 12.388 -7.331 6.005 1.00 1.32 H new ATOM 0 HG3 GLN A2138 13.860 -7.782 6.842 1.00 1.32 H new ATOM 0 HE21 GLN A2138 11.157 -8.874 7.129 1.00 2.57 H new ATOM 0 HE22 GLN A2138 10.722 -8.659 8.828 1.00 2.57 H new ATOM 1417 N SER A2139 14.640 -6.861 3.829 1.00 1.82 N ATOM 1418 CA SER A2139 14.990 -8.029 3.031 1.00 2.34 C ATOM 1419 C SER A2139 16.471 -8.003 2.662 1.00 2.85 C ATOM 1420 O SER A2139 17.132 -6.966 2.766 1.00 3.41 O ATOM 1421 CB SER A2139 14.131 -8.074 1.766 1.00 2.99 C ATOM 1422 OG SER A2139 14.362 -9.252 1.008 1.00 3.48 O ATOM 0 H SER A2139 14.089 -6.164 3.328 1.00 1.82 H new ATOM 0 HA SER A2139 14.799 -8.925 3.622 1.00 2.34 H new ATOM 0 HB2 SER A2139 13.078 -8.021 2.041 1.00 2.99 H new ATOM 0 HB3 SER A2139 14.345 -7.200 1.151 1.00 2.99 H new ATOM 0 HG SER A2139 13.794 -9.244 0.210 1.00 3.48 H new ATOM 1428 N HIS A2140 16.990 -9.144 2.243 1.00 3.20 N ATOM 1429 CA HIS A2140 18.379 -9.249 1.839 1.00 4.12 C ATOM 1430 C HIS A2140 18.465 -9.428 0.329 1.00 4.36 C ATOM 1431 O HIS A2140 18.471 -10.585 -0.140 1.00 4.66 O ATOM 1432 CB HIS A2140 19.050 -10.414 2.562 1.00 4.76 C ATOM 1433 CG HIS A2140 20.509 -10.556 2.264 1.00 5.33 C ATOM 1434 ND1 HIS A2140 21.030 -11.598 1.530 1.00 6.07 N ATOM 1435 CD2 HIS A2140 21.559 -9.782 2.614 1.00 5.72 C ATOM 1436 CE1 HIS A2140 22.339 -11.458 1.441 1.00 6.78 C ATOM 1437 NE2 HIS A2140 22.687 -10.362 2.090 1.00 6.61 N ATOM 1438 OXT HIS A2140 18.501 -8.414 -0.388 1.00 4.63 O ATOM 0 H HIS A2140 16.465 -10.016 2.174 1.00 3.20 H new ATOM 0 HA HIS A2140 18.903 -8.332 2.110 1.00 4.12 H new ATOM 0 HB2 HIS A2140 18.920 -10.285 3.636 1.00 4.76 H new ATOM 0 HB3 HIS A2140 18.542 -11.339 2.289 1.00 4.76 H new ATOM 0 HD2 HIS A2140 21.518 -8.875 3.198 1.00 5.72 H new ATOM 0 HE1 HIS A2140 23.012 -12.127 0.925 1.00 6.78 H new ATOM 0 HE2 HIS A2140 23.638 -10.005 2.186 1.00 6.61 H new TER 1447 HIS A2140 HETATM 1448 P24 66S A2201 -16.727 -8.419 -0.457 1.00 1.26 P HETATM 1449 O26 66S A2201 -16.011 -8.666 -1.718 1.00 2.02 O HETATM 1450 O23 66S A2201 -17.418 -9.649 -0.011 1.00 2.14 O HETATM 1451 O27 66S A2201 -17.720 -7.193 -0.570 1.00 1.51 O HETATM 1452 C28 66S A2201 -17.518 -6.259 -1.658 1.00 1.76 C HETATM 1453 C29 66S A2201 -18.750 -5.302 -1.763 1.00 2.58 C HETATM 1454 C30 66S A2201 -19.875 -5.807 -0.841 1.00 3.17 C HETATM 1455 C31 66S A2201 -19.255 -5.294 -3.219 1.00 3.36 C HETATM 1456 C32 66S A2201 -18.311 -3.845 -1.349 1.00 3.14 C HETATM 1457 O33 66S A2201 -17.889 -3.138 -2.499 1.00 3.66 O HETATM 1458 C34 66S A2201 -19.446 -3.054 -0.723 1.00 3.77 C HETATM 1459 O35 66S A2201 -20.345 -2.572 -1.380 1.00 4.48 O HETATM 1460 N36 66S A2201 -19.388 -2.915 0.613 1.00 3.99 N HETATM 1461 C37 66S A2201 -18.788 -1.731 1.270 1.00 4.65 C HETATM 1462 C38 66S A2201 -18.557 -1.975 2.784 1.00 5.05 C HETATM 1463 C39 66S A2201 -17.577 -0.964 3.354 1.00 5.31 C HETATM 1464 O40 66S A2201 -17.844 0.217 3.489 1.00 6.12 O HETATM 1465 N41 66S A2201 -16.380 -1.459 3.710 1.00 4.83 N HETATM 1466 C42 66S A2201 -16.165 -2.145 4.980 1.00 4.77 C HETATM 1467 C43 66S A2201 -14.668 -2.399 5.254 1.00 4.00 C HETATM 1468 S1 66S A2201 -14.390 -3.027 6.957 1.00 3.68 S HETATM 1469 C1 66S A2201 -12.779 -2.371 7.316 1.00 3.22 C HETATM 1470 O1 66S A2201 -12.557 -1.698 8.301 1.00 3.95 O HETATM 1471 C2 66S A2201 -11.722 -2.713 6.313 1.00 2.52 C HETATM 1472 C3 66S A2201 -10.612 -3.576 6.960 1.00 2.11 C HETATM 1473 C4 66S A2201 -11.222 -4.724 7.818 1.00 1.89 C HETATM 1474 C5 66S A2201 -11.998 -5.730 6.930 1.00 1.41 C HETATM 1475 C6 66S A2201 -11.207 -6.054 5.642 1.00 1.16 C HETATM 1476 C7 66S A2201 -12.168 -6.200 4.446 1.00 1.33 C HETATM 1477 C8 66S A2201 -13.034 -4.942 4.307 1.00 1.42 C