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: A2059 GLN : amide:sc= -3.24! C(o=-4.1!,f=-5.3!) USER MOD Set 1.2: A2133 HIS : no HD1:sc= -0.889 X(o=-4.1,f=-4.5) USER MOD Single : A2047 SER OG : rot 180:sc= 0.0165 USER MOD Single : A2048 HIS : no HD1:sc=-0.00678 X(o=-0.0068,f=0) USER MOD Single : A2049 MET CE :methyl -162:sc= -0.352 (180deg=-0.742) USER MOD Single : A2052 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.2) USER MOD Single : A2055 SER OG : rot 180:sc= 0 USER MOD Single : A2057 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2058 GLN : amide:sc= -0.0455 X(o=-0.045,f=-0.071) USER MOD Single : A2060 GLN : amide:sc= -2.31! C(o=-2.3!,f=-7.5!) USER MOD Single : A2061 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A2062 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A2065 THR OG1 : rot 58:sc= 1.26 USER MOD Single : A2071 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A2073 THR OG1 : rot 79:sc= 0.362 USER MOD Single : A2077 HIS : no HE2:sc= -7.48! C(o=-7.5!,f=-8.5!) USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2079 THR OG1 : rot -173:sc= 0.169 USER MOD Single : A2082 SER OG : rot -46:sc= 0.249 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+ 156:sc= 0.855 (180deg=0.505) USER MOD Single : A2096 SER OG : rot 180:sc= 0 USER MOD Single : A2098 THR OG1 : rot 180:sc= 0.65 USER MOD Single : A2104 ASN : amide:sc= -1.72 X(o=-1.7,f=-1.8!) USER MOD Single : A2105 THR OG1 : rot 180:sc= 0 USER MOD Single : A2107 THR OG1 : rot 84:sc= 1.15 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.39) USER MOD Single : A2110 THR OG1 : rot -91:sc= 0.388 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A2122 HIS : no HD1:sc= -0.629 X(o=-0.63,f=-1) USER MOD Single : A2124 THR OG1 : rot 180:sc= -0.386 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2129 THR OG1 : rot 78:sc= 1.19 USER MOD Single : A2130 GLN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A2131 HIS :FLIP no HD1:sc= -0.527 F(o=-1.9,f=-0.53) USER MOD Single : A2134 THR OG1 : rot 73:sc= 1.2 USER MOD Single : A2137 THR OG1 : rot -68:sc= 1.08 USER MOD Single : A2138 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A2139 SER OG : rot 180:sc= 0 USER MOD Single : A2140 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A2046 -13.782 -1.587 -9.471 1.00 6.15 N ATOM 2 CA GLY A2046 -15.208 -1.415 -9.100 1.00 5.60 C ATOM 3 C GLY A2046 -15.463 -0.082 -8.432 1.00 5.08 C ATOM 4 O GLY A2046 -14.971 0.948 -8.896 1.00 5.26 O ATOM 0 HA2 GLY A2046 -15.827 -1.497 -9.993 1.00 5.60 H new ATOM 0 HA3 GLY A2046 -15.508 -2.220 -8.429 1.00 5.60 H new ATOM 10 N SER A2047 -16.236 -0.097 -7.349 1.00 4.85 N ATOM 11 CA SER A2047 -16.469 1.105 -6.558 1.00 4.75 C ATOM 12 C SER A2047 -15.133 1.657 -6.075 1.00 3.83 C ATOM 13 O SER A2047 -14.889 2.864 -6.094 1.00 4.09 O ATOM 14 CB SER A2047 -17.364 0.772 -5.364 1.00 5.58 C ATOM 15 OG SER A2047 -18.425 -0.084 -5.751 1.00 6.22 O ATOM 0 H SER A2047 -16.711 -0.929 -7.000 1.00 4.85 H new ATOM 0 HA SER A2047 -16.967 1.856 -7.171 1.00 4.75 H new ATOM 0 HB2 SER A2047 -16.772 0.294 -4.583 1.00 5.58 H new ATOM 0 HB3 SER A2047 -17.769 1.691 -4.940 1.00 5.58 H new ATOM 0 HG SER A2047 -18.984 -0.285 -4.972 1.00 6.22 H new ATOM 21 N HIS A2048 -14.275 0.745 -5.648 1.00 3.01 N ATOM 22 CA HIS A2048 -12.903 1.065 -5.315 1.00 2.15 C ATOM 23 C HIS A2048 -11.982 0.076 -6.021 1.00 1.40 C ATOM 24 O HIS A2048 -12.474 -0.790 -6.747 1.00 1.44 O ATOM 25 CB HIS A2048 -12.691 1.082 -3.798 1.00 2.19 C ATOM 26 CG HIS A2048 -13.206 2.338 -3.161 1.00 2.49 C ATOM 27 ND1 HIS A2048 -14.492 2.474 -2.682 1.00 3.16 N ATOM 28 CD2 HIS A2048 -12.606 3.537 -2.954 1.00 2.35 C ATOM 29 CE1 HIS A2048 -14.659 3.699 -2.215 1.00 3.33 C ATOM 30 NE2 HIS A2048 -13.530 4.362 -2.367 1.00 2.84 N ATOM 0 H HIS A2048 -14.514 -0.239 -5.523 1.00 3.01 H new ATOM 0 HA HIS A2048 -12.663 2.070 -5.663 1.00 2.15 H new ATOM 0 HB2 HIS A2048 -13.192 0.222 -3.355 1.00 2.19 H new ATOM 0 HB3 HIS A2048 -11.628 0.978 -3.582 1.00 2.19 H new ATOM 0 HD2 HIS A2048 -11.588 3.794 -3.205 1.00 2.35 H new ATOM 0 HE1 HIS A2048 -15.567 4.091 -1.782 1.00 3.33 H new ATOM 0 HE2 HIS A2048 -13.370 5.331 -2.092 1.00 2.84 H new ATOM 39 N MET A2049 -10.670 0.198 -5.792 1.00 1.08 N ATOM 40 CA MET A2049 -9.662 -0.440 -6.653 1.00 0.80 C ATOM 41 C MET A2049 -9.982 -1.874 -7.048 1.00 1.56 C ATOM 42 O MET A2049 -10.485 -2.139 -8.138 1.00 2.18 O ATOM 43 CB MET A2049 -8.291 -0.409 -5.973 1.00 0.83 C ATOM 44 CG MET A2049 -8.363 -0.343 -4.483 1.00 1.02 C ATOM 45 SD MET A2049 -6.798 -0.781 -3.701 1.00 1.09 S ATOM 46 CE MET A2049 -6.681 -2.518 -4.109 1.00 0.85 C ATOM 0 H MET A2049 -10.279 0.733 -5.017 1.00 1.08 H new ATOM 0 HA MET A2049 -9.662 0.144 -7.573 1.00 0.80 H new ATOM 0 HB2 MET A2049 -7.731 -1.299 -6.262 1.00 0.83 H new ATOM 0 HB3 MET A2049 -7.732 0.452 -6.340 1.00 0.83 H new ATOM 0 HG2 MET A2049 -8.649 0.664 -4.180 1.00 1.02 H new ATOM 0 HG3 MET A2049 -9.144 -1.016 -4.129 1.00 1.02 H new ATOM 0 HE1 MET A2049 -5.960 -2.999 -3.448 1.00 0.85 H new ATOM 0 HE2 MET A2049 -7.657 -2.988 -3.984 1.00 0.85 H new ATOM 0 HE3 MET A2049 -6.355 -2.628 -5.143 1.00 0.85 H new ATOM 56 N ARG A2050 -9.685 -2.777 -6.161 1.00 2.19 N ATOM 57 CA ARG A2050 -10.014 -4.183 -6.338 1.00 3.02 C ATOM 58 C ARG A2050 -11.128 -4.601 -5.388 1.00 2.45 C ATOM 59 O ARG A2050 -11.662 -5.702 -5.483 1.00 3.04 O ATOM 60 CB ARG A2050 -8.767 -5.039 -6.127 1.00 4.17 C ATOM 61 CG ARG A2050 -8.973 -6.511 -6.414 1.00 5.10 C ATOM 62 CD ARG A2050 -7.934 -7.020 -7.383 1.00 6.03 C ATOM 63 NE ARG A2050 -8.100 -8.441 -7.665 1.00 7.06 N ATOM 64 CZ ARG A2050 -7.474 -9.082 -8.648 1.00 8.09 C ATOM 65 NH1 ARG A2050 -6.625 -8.430 -9.434 1.00 8.33 N ATOM 66 NH2 ARG A2050 -7.695 -10.376 -8.842 1.00 9.04 N ATOM 0 H ARG A2050 -9.205 -2.570 -5.285 1.00 2.19 H new ATOM 0 HA ARG A2050 -10.372 -4.334 -7.356 1.00 3.02 H new ATOM 0 HB2 ARG A2050 -7.969 -4.663 -6.767 1.00 4.17 H new ATOM 0 HB3 ARG A2050 -8.430 -4.924 -5.097 1.00 4.17 H new ATOM 0 HG2 ARG A2050 -8.919 -7.078 -5.485 1.00 5.10 H new ATOM 0 HG3 ARG A2050 -9.970 -6.670 -6.826 1.00 5.10 H new ATOM 0 HD2 ARG A2050 -7.999 -6.456 -8.313 1.00 6.03 H new ATOM 0 HD3 ARG A2050 -6.939 -6.846 -6.973 1.00 6.03 H new ATOM 0 HE ARG A2050 -8.735 -8.976 -7.072 1.00 7.06 H new ATOM 0 HH11 ARG A2050 -6.452 -7.436 -9.284 1.00 8.33 H new ATOM 0 HH12 ARG A2050 -6.146 -8.923 -10.187 1.00 8.33 H new ATOM 0 HH21 ARG A2050 -8.345 -10.879 -8.237 1.00 9.04 H new ATOM 0 HH22 ARG A2050 -7.215 -10.868 -9.596 1.00 9.04 H new ATOM 80 N LEU A2051 -11.487 -3.693 -4.489 1.00 1.40 N ATOM 81 CA LEU A2051 -12.257 -4.043 -3.295 1.00 1.14 C ATOM 82 C LEU A2051 -13.674 -4.522 -3.605 1.00 1.01 C ATOM 83 O LEU A2051 -14.368 -5.016 -2.715 1.00 1.07 O ATOM 84 CB LEU A2051 -12.340 -2.852 -2.339 1.00 1.24 C ATOM 85 CG LEU A2051 -11.014 -2.214 -1.913 1.00 1.66 C ATOM 86 CD1 LEU A2051 -11.197 -1.475 -0.600 1.00 2.23 C ATOM 87 CD2 LEU A2051 -9.893 -3.241 -1.803 1.00 2.25 C ATOM 0 H LEU A2051 -11.257 -2.702 -4.562 1.00 1.40 H new ATOM 0 HA LEU A2051 -11.721 -4.871 -2.832 1.00 1.14 H new ATOM 0 HB2 LEU A2051 -12.952 -2.082 -2.808 1.00 1.24 H new ATOM 0 HB3 LEU A2051 -12.866 -3.174 -1.440 1.00 1.24 H new ATOM 0 HG LEU A2051 -10.720 -1.505 -2.687 1.00 1.66 H new ATOM 0 HD11 LEU A2051 -10.251 -1.023 -0.302 1.00 2.23 H new ATOM 0 HD12 LEU A2051 -11.949 -0.695 -0.723 1.00 2.23 H new ATOM 0 HD13 LEU A2051 -11.523 -2.175 0.169 1.00 2.23 H new ATOM 0 HD21 LEU A2051 -8.972 -2.743 -1.499 1.00 2.25 H new ATOM 0 HD22 LEU A2051 -10.161 -3.994 -1.062 1.00 2.25 H new ATOM 0 HD23 LEU A2051 -9.743 -3.721 -2.770 1.00 2.25 H new ATOM 99 N ASN A2052 -14.105 -4.373 -4.844 1.00 1.58 N ATOM 100 CA ASN A2052 -15.459 -4.751 -5.216 1.00 1.99 C ATOM 101 C ASN A2052 -15.616 -6.271 -5.219 1.00 1.93 C ATOM 102 O ASN A2052 -14.983 -6.983 -6.001 1.00 2.08 O ATOM 103 CB ASN A2052 -15.835 -4.141 -6.574 1.00 2.83 C ATOM 104 CG ASN A2052 -14.937 -4.593 -7.709 1.00 3.47 C ATOM 105 OD1 ASN A2052 -13.849 -4.050 -7.907 1.00 3.92 O ATOM 106 ND2 ASN A2052 -15.399 -5.559 -8.483 1.00 4.07 N ATOM 0 H ASN A2052 -13.543 -3.996 -5.607 1.00 1.58 H new ATOM 0 HA ASN A2052 -16.148 -4.352 -4.471 1.00 1.99 H new ATOM 0 HB2 ASN A2052 -16.866 -4.406 -6.809 1.00 2.83 H new ATOM 0 HB3 ASN A2052 -15.794 -3.054 -6.499 1.00 2.83 H new ATOM 0 HD21 ASN A2052 -14.849 -5.881 -9.279 1.00 4.07 H new ATOM 0 HD22 ASN A2052 -16.305 -5.982 -8.284 1.00 4.07 H new ATOM 113 N GLY A2053 -16.436 -6.760 -4.300 1.00 1.86 N ATOM 114 CA GLY A2053 -16.685 -8.185 -4.195 1.00 1.88 C ATOM 115 C GLY A2053 -16.052 -8.784 -2.956 1.00 1.57 C ATOM 116 O GLY A2053 -16.570 -9.743 -2.383 1.00 1.67 O ATOM 0 H GLY A2053 -16.938 -6.190 -3.619 1.00 1.86 H new ATOM 0 HA2 GLY A2053 -17.760 -8.364 -4.175 1.00 1.88 H new ATOM 0 HA3 GLY A2053 -16.294 -8.687 -5.080 1.00 1.88 H new ATOM 120 N LEU A2054 -14.934 -8.212 -2.532 1.00 1.24 N ATOM 121 CA LEU A2054 -14.231 -8.690 -1.361 1.00 1.05 C ATOM 122 C LEU A2054 -14.834 -8.093 -0.097 1.00 0.93 C ATOM 123 O LEU A2054 -15.221 -6.922 -0.072 1.00 0.98 O ATOM 124 CB LEU A2054 -12.745 -8.317 -1.434 1.00 0.96 C ATOM 125 CG LEU A2054 -11.930 -8.928 -2.583 1.00 1.10 C ATOM 126 CD1 LEU A2054 -12.040 -10.442 -2.581 1.00 1.60 C ATOM 127 CD2 LEU A2054 -12.334 -8.362 -3.935 1.00 1.50 C ATOM 0 H LEU A2054 -14.496 -7.412 -2.988 1.00 1.24 H new ATOM 0 HA LEU A2054 -14.329 -9.775 -1.331 1.00 1.05 H new ATOM 0 HB2 LEU A2054 -12.671 -7.232 -1.505 1.00 0.96 H new ATOM 0 HB3 LEU A2054 -12.276 -8.607 -0.494 1.00 0.96 H new ATOM 0 HG LEU A2054 -10.888 -8.656 -2.416 1.00 1.10 H new ATOM 0 HD11 LEU A2054 -11.454 -10.850 -3.404 1.00 1.60 H new ATOM 0 HD12 LEU A2054 -11.661 -10.833 -1.637 1.00 1.60 H new ATOM 0 HD13 LEU A2054 -13.084 -10.731 -2.700 1.00 1.60 H new ATOM 0 HD21 LEU A2054 -11.731 -8.823 -4.717 1.00 1.50 H new ATOM 0 HD22 LEU A2054 -13.388 -8.572 -4.117 1.00 1.50 H new ATOM 0 HD23 LEU A2054 -12.173 -7.284 -3.941 1.00 1.50 H new ATOM 139 N SER A2055 -14.925 -8.906 0.939 1.00 0.85 N ATOM 140 CA SER A2055 -15.333 -8.433 2.251 1.00 0.80 C ATOM 141 C SER A2055 -14.208 -7.603 2.855 1.00 0.67 C ATOM 142 O SER A2055 -13.059 -7.773 2.479 1.00 0.61 O ATOM 143 CB SER A2055 -15.680 -9.628 3.139 1.00 0.83 C ATOM 144 OG SER A2055 -16.637 -10.459 2.503 1.00 1.18 O ATOM 0 H SER A2055 -14.720 -9.904 0.897 1.00 0.85 H new ATOM 0 HA SER A2055 -16.219 -7.804 2.168 1.00 0.80 H new ATOM 0 HB2 SER A2055 -14.779 -10.201 3.355 1.00 0.83 H new ATOM 0 HB3 SER A2055 -16.072 -9.277 4.094 1.00 0.83 H new ATOM 0 HG SER A2055 -16.847 -11.220 3.084 1.00 1.18 H new ATOM 150 N PRO A2056 -14.537 -6.674 3.764 1.00 0.67 N ATOM 151 CA PRO A2056 -13.585 -5.763 4.403 1.00 0.61 C ATOM 152 C PRO A2056 -12.207 -6.365 4.707 1.00 0.54 C ATOM 153 O PRO A2056 -11.189 -5.781 4.334 1.00 0.50 O ATOM 154 CB PRO A2056 -14.284 -5.386 5.708 1.00 0.71 C ATOM 155 CG PRO A2056 -15.701 -5.856 5.590 1.00 0.86 C ATOM 156 CD PRO A2056 -15.898 -6.380 4.202 1.00 0.81 C ATOM 0 HA PRO A2056 -13.358 -4.931 3.736 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -13.791 -5.854 6.560 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -14.246 -4.309 5.870 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -15.907 -6.635 6.325 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -16.392 -5.038 5.791 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -16.526 -7.271 4.193 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -16.379 -5.644 3.558 1.00 0.81 H new ATOM 164 N GLN A2057 -12.162 -7.509 5.379 1.00 0.58 N ATOM 165 CA GLN A2057 -10.889 -8.137 5.710 1.00 0.60 C ATOM 166 C GLN A2057 -10.183 -8.623 4.448 1.00 0.57 C ATOM 167 O GLN A2057 -8.963 -8.502 4.315 1.00 0.57 O ATOM 168 CB GLN A2057 -11.102 -9.300 6.678 1.00 0.71 C ATOM 169 CG GLN A2057 -9.812 -9.995 7.067 1.00 0.83 C ATOM 170 CD GLN A2057 -10.018 -11.081 8.100 1.00 1.19 C ATOM 171 OE1 GLN A2057 -9.964 -10.825 9.302 1.00 1.63 O ATOM 172 NE2 GLN A2057 -10.240 -12.302 7.642 1.00 1.95 N ATOM 0 H GLN A2057 -12.985 -8.017 5.703 1.00 0.58 H new ATOM 0 HA GLN A2057 -10.257 -7.392 6.193 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -11.594 -8.930 7.578 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -11.775 -10.026 6.222 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -9.356 -10.429 6.177 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -9.111 -9.257 7.457 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -10.277 -12.471 6.637 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -10.374 -13.075 8.294 1.00 1.95 H new ATOM 181 N GLN A2058 -10.962 -9.153 3.516 1.00 0.59 N ATOM 182 CA GLN A2058 -10.434 -9.573 2.225 1.00 0.64 C ATOM 183 C GLN A2058 -9.893 -8.359 1.487 1.00 0.57 C ATOM 184 O GLN A2058 -8.843 -8.417 0.854 1.00 0.59 O ATOM 185 CB GLN A2058 -11.526 -10.237 1.382 1.00 0.75 C ATOM 186 CG GLN A2058 -12.258 -11.363 2.086 1.00 0.83 C ATOM 187 CD GLN A2058 -11.322 -12.406 2.664 1.00 0.99 C ATOM 188 OE1 GLN A2058 -10.893 -12.299 3.812 1.00 1.44 O ATOM 189 NE2 GLN A2058 -11.003 -13.419 1.876 1.00 1.60 N ATOM 0 H GLN A2058 -11.964 -9.303 3.630 1.00 0.59 H new ATOM 0 HA GLN A2058 -9.636 -10.297 2.391 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -12.250 -9.479 1.084 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -11.077 -10.626 0.468 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -12.869 -10.947 2.887 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -12.938 -11.843 1.382 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -11.382 -13.468 0.930 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -10.378 -14.151 2.214 1.00 1.60 H new ATOM 198 N GLN A2059 -10.630 -7.258 1.590 1.00 0.54 N ATOM 199 CA GLN A2059 -10.226 -5.989 1.007 1.00 0.52 C ATOM 200 C GLN A2059 -8.870 -5.567 1.531 1.00 0.47 C ATOM 201 O GLN A2059 -8.032 -5.079 0.776 1.00 0.49 O ATOM 202 CB GLN A2059 -11.245 -4.899 1.325 1.00 0.57 C ATOM 203 CG GLN A2059 -12.580 -5.080 0.635 1.00 0.72 C ATOM 204 CD GLN A2059 -13.516 -3.925 0.907 1.00 1.02 C ATOM 205 OE1 GLN A2059 -13.467 -3.306 1.975 1.00 1.50 O ATOM 206 NE2 GLN A2059 -14.362 -3.616 -0.059 1.00 1.19 N ATOM 0 H GLN A2059 -11.524 -7.223 2.080 1.00 0.54 H new ATOM 0 HA GLN A2059 -10.169 -6.125 -0.073 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -11.406 -4.871 2.403 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -10.829 -3.933 1.039 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.423 -5.175 -0.439 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -13.041 -6.008 0.973 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -14.367 -4.155 -0.925 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -15.011 -2.838 0.061 1.00 1.19 H new ATOM 215 N GLN A2060 -8.661 -5.748 2.829 1.00 0.44 N ATOM 216 CA GLN A2060 -7.377 -5.432 3.431 1.00 0.42 C ATOM 217 C GLN A2060 -6.286 -6.241 2.772 1.00 0.39 C ATOM 218 O GLN A2060 -5.360 -5.679 2.228 1.00 0.37 O ATOM 219 CB GLN A2060 -7.365 -5.722 4.932 1.00 0.45 C ATOM 220 CG GLN A2060 -8.484 -5.062 5.702 1.00 0.50 C ATOM 221 CD GLN A2060 -8.484 -5.440 7.171 1.00 0.60 C ATOM 222 OE1 GLN A2060 -9.114 -6.416 7.575 1.00 0.78 O ATOM 223 NE2 GLN A2060 -7.779 -4.668 7.981 1.00 0.95 N ATOM 0 H GLN A2060 -9.359 -6.109 3.479 1.00 0.44 H new ATOM 0 HA GLN A2060 -7.204 -4.366 3.283 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.423 -6.800 5.082 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -6.412 -5.393 5.346 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -8.395 -3.980 5.609 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -9.440 -5.342 5.259 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -7.270 -3.867 7.607 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -7.744 -4.873 8.979 1.00 0.95 H new ATOM 232 N GLN A2061 -6.413 -7.558 2.814 1.00 0.41 N ATOM 233 CA GLN A2061 -5.431 -8.446 2.199 1.00 0.42 C ATOM 234 C GLN A2061 -5.254 -8.137 0.718 1.00 0.43 C ATOM 235 O GLN A2061 -4.167 -8.280 0.166 1.00 0.41 O ATOM 236 CB GLN A2061 -5.863 -9.881 2.388 1.00 0.51 C ATOM 237 CG GLN A2061 -5.881 -10.287 3.846 1.00 0.56 C ATOM 238 CD GLN A2061 -6.459 -11.667 4.076 1.00 0.67 C ATOM 239 OE1 GLN A2061 -6.342 -12.555 3.229 1.00 1.03 O ATOM 240 NE2 GLN A2061 -7.087 -11.855 5.226 1.00 1.32 N ATOM 0 H GLN A2061 -7.189 -8.040 3.269 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.469 -8.287 2.686 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -6.857 -10.018 1.962 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -5.188 -10.537 1.839 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -4.864 -10.257 4.237 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.462 -9.558 4.412 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -7.160 -11.091 5.898 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -7.498 -12.764 5.440 1.00 1.32 H new ATOM 249 N THR A2062 -6.337 -7.734 0.091 1.00 0.49 N ATOM 250 CA THR A2062 -6.309 -7.224 -1.273 1.00 0.55 C ATOM 251 C THR A2062 -5.300 -6.083 -1.426 1.00 0.49 C ATOM 252 O THR A2062 -4.391 -6.143 -2.258 1.00 0.48 O ATOM 253 CB THR A2062 -7.693 -6.707 -1.687 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.633 -7.789 -1.729 1.00 0.73 O ATOM 255 CG2 THR A2062 -7.627 -6.027 -3.041 1.00 0.77 C ATOM 0 H THR A2062 -7.267 -7.749 0.509 1.00 0.49 H new ATOM 0 HA THR A2062 -6.012 -8.053 -1.915 1.00 0.55 H new ATOM 0 HB THR A2062 -8.022 -5.977 -0.947 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.990 -7.947 -0.830 1.00 0.73 H new ATOM 0 HG21 THR A2062 -8.619 -5.668 -3.316 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.936 -5.185 -2.992 1.00 0.77 H new ATOM 0 HG23 THR A2062 -7.279 -6.739 -3.789 1.00 0.77 H new ATOM 263 N LEU A2063 -5.458 -5.056 -0.604 1.00 0.50 N ATOM 264 CA LEU A2063 -4.638 -3.868 -0.689 1.00 0.53 C ATOM 265 C LEU A2063 -3.312 -4.117 0.010 1.00 0.44 C ATOM 266 O LEU A2063 -2.323 -3.427 -0.211 1.00 0.47 O ATOM 267 CB LEU A2063 -5.398 -2.697 -0.069 1.00 0.69 C ATOM 268 CG LEU A2063 -5.806 -2.846 1.391 1.00 0.64 C ATOM 269 CD1 LEU A2063 -4.734 -2.297 2.308 1.00 1.32 C ATOM 270 CD2 LEU A2063 -7.129 -2.144 1.627 1.00 1.22 C ATOM 0 H LEU A2063 -6.158 -5.028 0.137 1.00 0.50 H new ATOM 0 HA LEU A2063 -4.422 -3.622 -1.729 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -4.781 -1.803 -0.161 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -6.298 -2.525 -0.659 1.00 0.69 H new ATOM 0 HG LEU A2063 -5.925 -3.906 1.617 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -5.048 -2.414 3.345 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -3.803 -2.841 2.146 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -4.578 -1.240 2.093 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -7.417 -2.253 2.673 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -7.027 -1.086 1.387 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -7.895 -2.588 0.991 1.00 1.22 H new ATOM 282 N ALA A2064 -3.328 -5.131 0.846 1.00 0.39 N ATOM 283 CA ALA A2064 -2.146 -5.636 1.507 1.00 0.38 C ATOM 284 C ALA A2064 -1.222 -6.212 0.454 1.00 0.37 C ATOM 285 O ALA A2064 -0.025 -5.929 0.412 1.00 0.51 O ATOM 286 CB ALA A2064 -2.545 -6.710 2.507 1.00 0.38 C ATOM 0 H ALA A2064 -4.179 -5.637 1.090 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.636 -4.836 2.044 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.654 -7.092 3.006 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -3.222 -6.284 3.248 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -3.046 -7.525 1.985 1.00 0.38 H new ATOM 292 N THR A2065 -1.828 -7.015 -0.409 1.00 0.28 N ATOM 293 CA THR A2065 -1.173 -7.556 -1.580 1.00 0.28 C ATOM 294 C THR A2065 -0.670 -6.426 -2.472 1.00 0.27 C ATOM 295 O THR A2065 0.427 -6.502 -3.016 1.00 0.25 O ATOM 296 CB THR A2065 -2.156 -8.440 -2.371 1.00 0.36 C ATOM 297 OG1 THR A2065 -2.599 -9.535 -1.552 1.00 0.40 O ATOM 298 CG2 THR A2065 -1.520 -8.971 -3.650 1.00 0.41 C ATOM 0 H THR A2065 -2.800 -7.309 -0.310 1.00 0.28 H new ATOM 0 HA THR A2065 -0.324 -8.159 -1.258 1.00 0.28 H new ATOM 0 HB THR A2065 -3.012 -7.826 -2.650 1.00 0.36 H new ATOM 0 HG1 THR A2065 -3.026 -9.186 -0.742 1.00 0.40 H new ATOM 0 HG21 THR A2065 -2.240 -9.591 -4.184 1.00 0.41 H new ATOM 0 HG22 THR A2065 -1.221 -8.135 -4.282 1.00 0.41 H new ATOM 0 HG23 THR A2065 -0.643 -9.568 -3.400 1.00 0.41 H new ATOM 306 N LEU A2066 -1.478 -5.375 -2.593 1.00 0.29 N ATOM 307 CA LEU A2066 -1.113 -4.198 -3.363 1.00 0.28 C ATOM 308 C LEU A2066 0.177 -3.626 -2.802 1.00 0.23 C ATOM 309 O LEU A2066 1.187 -3.543 -3.492 1.00 0.22 O ATOM 310 CB LEU A2066 -2.230 -3.156 -3.249 1.00 0.32 C ATOM 311 CG LEU A2066 -2.274 -2.040 -4.297 1.00 0.57 C ATOM 312 CD1 LEU A2066 -2.832 -0.778 -3.668 1.00 0.92 C ATOM 313 CD2 LEU A2066 -0.915 -1.759 -4.923 1.00 1.35 C ATOM 0 H LEU A2066 -2.400 -5.319 -2.160 1.00 0.29 H new ATOM 0 HA LEU A2066 -0.972 -4.464 -4.411 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -3.184 -3.683 -3.280 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -2.155 -2.690 -2.266 1.00 0.32 H new ATOM 0 HG LEU A2066 -2.924 -2.378 -5.104 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -2.864 0.017 -4.413 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -3.840 -0.970 -3.299 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -2.194 -0.472 -2.838 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -1.011 -0.959 -5.657 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -0.212 -1.457 -4.147 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -0.547 -2.660 -5.414 1.00 1.35 H new ATOM 325 N VAL A2067 0.119 -3.255 -1.534 1.00 0.21 N ATOM 326 CA VAL A2067 1.241 -2.651 -0.844 1.00 0.18 C ATOM 327 C VAL A2067 2.503 -3.502 -0.983 1.00 0.16 C ATOM 328 O VAL A2067 3.590 -2.997 -1.274 1.00 0.17 O ATOM 329 CB VAL A2067 0.913 -2.464 0.651 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.140 -2.034 1.431 1.00 0.20 C ATOM 331 CG2 VAL A2067 -0.209 -1.453 0.833 1.00 0.22 C ATOM 0 H VAL A2067 -0.712 -3.366 -0.954 1.00 0.21 H new ATOM 0 HA VAL A2067 1.425 -1.679 -1.303 1.00 0.18 H new ATOM 0 HB VAL A2067 0.582 -3.426 1.041 1.00 0.19 H new ATOM 0 HG11 VAL A2067 1.878 -1.910 2.482 1.00 0.20 H new ATOM 0 HG12 VAL A2067 2.915 -2.794 1.338 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.510 -1.088 1.035 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.425 -1.336 1.895 1.00 0.22 H new ATOM 0 HG22 VAL A2067 0.095 -0.493 0.417 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -1.103 -1.805 0.318 1.00 0.22 H new ATOM 341 N ALA A2068 2.337 -4.798 -0.792 1.00 0.15 N ATOM 342 CA ALA A2068 3.443 -5.734 -0.860 1.00 0.15 C ATOM 343 C ALA A2068 3.995 -5.846 -2.280 1.00 0.14 C ATOM 344 O ALA A2068 5.205 -5.772 -2.489 1.00 0.13 O ATOM 345 CB ALA A2068 2.990 -7.084 -0.337 1.00 0.17 C ATOM 0 H ALA A2068 1.436 -5.229 -0.586 1.00 0.15 H new ATOM 0 HA ALA A2068 4.256 -5.365 -0.235 1.00 0.15 H new ATOM 0 HB1 ALA A2068 3.819 -7.790 -0.387 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.662 -6.982 0.697 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.164 -7.451 -0.945 1.00 0.17 H new ATOM 351 N ALA A2069 3.104 -6.012 -3.250 1.00 0.17 N ATOM 352 CA ALA A2069 3.489 -6.114 -4.649 1.00 0.18 C ATOM 353 C ALA A2069 4.109 -4.813 -5.128 1.00 0.19 C ATOM 354 O ALA A2069 4.934 -4.796 -6.047 1.00 0.21 O ATOM 355 CB ALA A2069 2.283 -6.462 -5.507 1.00 0.23 C ATOM 0 H ALA A2069 2.099 -6.079 -3.088 1.00 0.17 H new ATOM 0 HA ALA A2069 4.229 -6.909 -4.742 1.00 0.18 H new ATOM 0 HB1 ALA A2069 2.588 -6.535 -6.551 1.00 0.23 H new ATOM 0 HB2 ALA A2069 1.869 -7.417 -5.183 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.526 -5.684 -5.403 1.00 0.23 H new ATOM 361 N ALA A2070 3.712 -3.723 -4.486 1.00 0.19 N ATOM 362 CA ALA A2070 4.196 -2.410 -4.834 1.00 0.21 C ATOM 363 C ALA A2070 5.662 -2.284 -4.483 1.00 0.20 C ATOM 364 O ALA A2070 6.465 -1.819 -5.291 1.00 0.23 O ATOM 365 CB ALA A2070 3.386 -1.343 -4.118 1.00 0.24 C ATOM 0 H ALA A2070 3.047 -3.732 -3.713 1.00 0.19 H new ATOM 0 HA ALA A2070 4.082 -2.268 -5.909 1.00 0.21 H new ATOM 0 HB1 ALA A2070 3.762 -0.357 -4.390 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.339 -1.425 -4.409 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.475 -1.481 -3.040 1.00 0.24 H new ATOM 371 N THR A2071 6.030 -2.725 -3.285 1.00 0.18 N ATOM 372 CA THR A2071 7.403 -2.572 -2.855 1.00 0.21 C ATOM 373 C THR A2071 8.236 -3.716 -3.390 1.00 0.21 C ATOM 374 O THR A2071 9.425 -3.573 -3.619 1.00 0.27 O ATOM 375 CB THR A2071 7.534 -2.421 -1.332 1.00 0.22 C ATOM 376 OG1 THR A2071 8.878 -2.110 -0.972 1.00 0.28 O ATOM 377 CG2 THR A2071 7.096 -3.668 -0.609 1.00 0.23 C ATOM 0 H THR A2071 5.411 -3.179 -2.614 1.00 0.18 H new ATOM 0 HA THR A2071 7.785 -1.640 -3.271 1.00 0.21 H new ATOM 0 HB THR A2071 6.879 -1.603 -1.033 1.00 0.22 H new ATOM 0 HG1 THR A2071 8.943 -2.016 0.001 1.00 0.28 H new ATOM 0 HG21 THR A2071 7.203 -3.522 0.466 1.00 0.23 H new ATOM 0 HG22 THR A2071 6.053 -3.877 -0.844 1.00 0.23 H new ATOM 0 HG23 THR A2071 7.715 -4.508 -0.925 1.00 0.23 H new ATOM 385 N ALA A2072 7.588 -4.840 -3.644 1.00 0.18 N ATOM 386 CA ALA A2072 8.196 -5.909 -4.413 1.00 0.22 C ATOM 387 C ALA A2072 8.812 -5.323 -5.677 1.00 0.26 C ATOM 388 O ALA A2072 9.975 -5.570 -5.993 1.00 0.31 O ATOM 389 CB ALA A2072 7.133 -6.934 -4.757 1.00 0.22 C ATOM 0 H ALA A2072 6.638 -5.035 -3.327 1.00 0.18 H new ATOM 0 HA ALA A2072 8.981 -6.398 -3.836 1.00 0.22 H new ATOM 0 HB1 ALA A2072 7.581 -7.742 -5.336 1.00 0.22 H new ATOM 0 HB2 ALA A2072 6.706 -7.338 -3.839 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.347 -6.460 -5.344 1.00 0.22 H new ATOM 395 N THR A2073 8.033 -4.502 -6.358 1.00 0.27 N ATOM 396 CA THR A2073 8.483 -3.811 -7.548 1.00 0.34 C ATOM 397 C THR A2073 9.472 -2.689 -7.206 1.00 0.37 C ATOM 398 O THR A2073 10.525 -2.566 -7.836 1.00 0.43 O ATOM 399 CB THR A2073 7.274 -3.229 -8.296 1.00 0.38 C ATOM 400 OG1 THR A2073 6.382 -4.289 -8.665 1.00 0.40 O ATOM 401 CG2 THR A2073 7.712 -2.466 -9.529 1.00 0.46 C ATOM 0 H THR A2073 7.068 -4.297 -6.099 1.00 0.27 H new ATOM 0 HA THR A2073 8.999 -4.531 -8.183 1.00 0.34 H new ATOM 0 HB THR A2073 6.760 -2.533 -7.634 1.00 0.38 H new ATOM 0 HG1 THR A2073 5.846 -4.551 -7.887 1.00 0.40 H new ATOM 0 HG21 THR A2073 6.836 -2.065 -10.039 1.00 0.46 H new ATOM 0 HG22 THR A2073 8.368 -1.646 -9.236 1.00 0.46 H new ATOM 0 HG23 THR A2073 8.248 -3.137 -10.201 1.00 0.46 H new ATOM 409 N VAL A2074 9.126 -1.885 -6.204 1.00 0.36 N ATOM 410 CA VAL A2074 9.917 -0.748 -5.791 1.00 0.41 C ATOM 411 C VAL A2074 11.339 -1.135 -5.343 1.00 0.47 C ATOM 412 O VAL A2074 12.301 -0.436 -5.669 1.00 0.56 O ATOM 413 CB VAL A2074 9.140 -0.005 -4.688 1.00 0.38 C ATOM 414 CG1 VAL A2074 9.919 0.129 -3.396 1.00 0.38 C ATOM 415 CG2 VAL A2074 8.668 1.339 -5.187 1.00 0.37 C ATOM 0 H VAL A2074 8.276 -2.013 -5.654 1.00 0.36 H new ATOM 0 HA VAL A2074 10.069 -0.089 -6.646 1.00 0.41 H new ATOM 0 HB VAL A2074 8.270 -0.617 -4.449 1.00 0.38 H new ATOM 0 HG11 VAL A2074 9.316 0.662 -2.661 1.00 0.38 H new ATOM 0 HG12 VAL A2074 10.164 -0.862 -3.015 1.00 0.38 H new ATOM 0 HG13 VAL A2074 10.838 0.684 -3.581 1.00 0.38 H new ATOM 0 HG21 VAL A2074 8.121 1.850 -4.395 1.00 0.37 H new ATOM 0 HG22 VAL A2074 9.528 1.941 -5.480 1.00 0.37 H new ATOM 0 HG23 VAL A2074 8.013 1.198 -6.047 1.00 0.37 H new ATOM 425 N LEU A2075 11.478 -2.240 -4.610 1.00 0.43 N ATOM 426 CA LEU A2075 12.791 -2.702 -4.183 1.00 0.52 C ATOM 427 C LEU A2075 13.511 -3.368 -5.347 1.00 0.60 C ATOM 428 O LEU A2075 14.722 -3.236 -5.507 1.00 0.74 O ATOM 429 CB LEU A2075 12.655 -3.686 -3.019 1.00 0.49 C ATOM 430 CG LEU A2075 11.602 -3.295 -1.975 1.00 0.44 C ATOM 431 CD1 LEU A2075 11.402 -4.400 -0.960 1.00 0.46 C ATOM 432 CD2 LEU A2075 11.963 -1.993 -1.282 1.00 0.52 C ATOM 0 H LEU A2075 10.701 -2.826 -4.303 1.00 0.43 H new ATOM 0 HA LEU A2075 13.373 -1.843 -3.849 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.405 -4.669 -3.418 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.622 -3.779 -2.524 1.00 0.49 H new ATOM 0 HG LEU A2075 10.661 -3.144 -2.505 1.00 0.44 H new ATOM 0 HD11 LEU A2075 10.650 -4.094 -0.233 1.00 0.46 H new ATOM 0 HD12 LEU A2075 11.069 -5.305 -1.468 1.00 0.46 H new ATOM 0 HD13 LEU A2075 12.343 -4.598 -0.447 1.00 0.46 H new ATOM 0 HD21 LEU A2075 11.195 -1.746 -0.549 1.00 0.52 H new ATOM 0 HD22 LEU A2075 12.924 -2.103 -0.779 1.00 0.52 H new ATOM 0 HD23 LEU A2075 12.030 -1.194 -2.021 1.00 0.52 H new ATOM 444 N GLY A2076 12.741 -4.069 -6.171 1.00 0.57 N ATOM 445 CA GLY A2076 13.300 -4.694 -7.349 1.00 0.67 C ATOM 446 C GLY A2076 13.300 -6.204 -7.275 1.00 0.65 C ATOM 447 O GLY A2076 14.186 -6.854 -7.823 1.00 0.93 O ATOM 0 H GLY A2076 11.740 -4.214 -6.042 1.00 0.57 H new ATOM 0 HA2 GLY A2076 12.732 -4.379 -8.224 1.00 0.67 H new ATOM 0 HA3 GLY A2076 14.322 -4.343 -7.489 1.00 0.67 H new ATOM 451 N HIS A2077 12.306 -6.774 -6.604 1.00 0.51 N ATOM 452 CA HIS A2077 12.210 -8.224 -6.506 1.00 0.66 C ATOM 453 C HIS A2077 10.879 -8.737 -7.061 1.00 0.68 C ATOM 454 O HIS A2077 10.633 -9.942 -7.111 1.00 0.97 O ATOM 455 CB HIS A2077 12.465 -8.704 -5.070 1.00 0.81 C ATOM 456 CG HIS A2077 11.511 -8.255 -4.020 1.00 0.50 C ATOM 457 ND1 HIS A2077 10.378 -8.949 -3.691 1.00 0.54 N ATOM 458 CD2 HIS A2077 11.594 -7.234 -3.143 1.00 0.74 C ATOM 459 CE1 HIS A2077 9.805 -8.379 -2.657 1.00 0.61 C ATOM 460 NE2 HIS A2077 10.521 -7.333 -2.298 1.00 0.80 N ATOM 0 H HIS A2077 11.565 -6.262 -6.126 1.00 0.51 H new ATOM 0 HA HIS A2077 12.995 -8.652 -7.129 1.00 0.66 H new ATOM 0 HB2 HIS A2077 12.472 -9.794 -5.075 1.00 0.81 H new ATOM 0 HB3 HIS A2077 13.464 -8.380 -4.779 1.00 0.81 H new ATOM 0 HD1 HIS A2077 10.033 -9.779 -4.174 1.00 0.54 H new ATOM 0 HD2 HIS A2077 12.364 -6.478 -3.113 1.00 0.74 H new ATOM 0 HE1 HIS A2077 8.896 -8.713 -2.179 1.00 0.61 H new ATOM 469 N HIS A2078 10.037 -7.792 -7.473 1.00 0.62 N ATOM 470 CA HIS A2078 8.818 -8.054 -8.250 1.00 0.69 C ATOM 471 C HIS A2078 7.702 -8.746 -7.472 1.00 0.80 C ATOM 472 O HIS A2078 6.596 -8.213 -7.409 1.00 1.56 O ATOM 473 CB HIS A2078 9.122 -8.814 -9.538 1.00 0.81 C ATOM 474 CG HIS A2078 9.648 -7.927 -10.623 1.00 0.88 C ATOM 475 ND1 HIS A2078 8.828 -7.204 -11.461 1.00 0.93 N ATOM 476 CD2 HIS A2078 10.915 -7.618 -10.984 1.00 0.96 C ATOM 477 CE1 HIS A2078 9.566 -6.490 -12.290 1.00 1.03 C ATOM 478 NE2 HIS A2078 10.835 -6.723 -12.021 1.00 1.05 N ATOM 0 H HIS A2078 10.182 -6.802 -7.275 1.00 0.62 H new ATOM 0 HA HIS A2078 8.437 -7.064 -8.499 1.00 0.69 H new ATOM 0 HB2 HIS A2078 9.851 -9.597 -9.329 1.00 0.81 H new ATOM 0 HB3 HIS A2078 8.215 -9.308 -9.886 1.00 0.81 H new ATOM 0 HD2 HIS A2078 11.820 -8.004 -10.539 1.00 0.96 H new ATOM 0 HE1 HIS A2078 9.194 -5.828 -13.058 1.00 1.03 H new ATOM 0 HE2 HIS A2078 11.629 -6.305 -12.506 1.00 1.05 H new ATOM 487 N THR A2079 7.945 -9.916 -6.892 1.00 0.64 N ATOM 488 CA THR A2079 6.869 -10.602 -6.189 1.00 0.67 C ATOM 489 C THR A2079 6.773 -10.162 -4.732 1.00 0.44 C ATOM 490 O THR A2079 7.776 -9.900 -4.068 1.00 0.54 O ATOM 491 CB THR A2079 6.959 -12.144 -6.238 1.00 1.02 C ATOM 492 OG1 THR A2079 5.995 -12.754 -5.373 1.00 1.82 O ATOM 493 CG2 THR A2079 8.319 -12.598 -5.824 1.00 0.59 C ATOM 0 H THR A2079 8.845 -10.396 -6.893 1.00 0.64 H new ATOM 0 HA THR A2079 5.969 -10.310 -6.730 1.00 0.67 H new ATOM 0 HB THR A2079 6.757 -12.445 -7.266 1.00 1.02 H new ATOM 0 HG1 THR A2079 6.154 -13.720 -5.336 1.00 1.82 H new ATOM 0 HG21 THR A2079 8.367 -13.686 -5.864 1.00 0.59 H new ATOM 0 HG22 THR A2079 9.064 -12.177 -6.499 1.00 0.59 H new ATOM 0 HG23 THR A2079 8.520 -12.263 -4.807 1.00 0.59 H new ATOM 501 N PRO A2080 5.545 -10.108 -4.227 1.00 0.29 N ATOM 502 CA PRO A2080 5.210 -9.679 -2.873 1.00 0.32 C ATOM 503 C PRO A2080 5.365 -10.810 -1.866 1.00 0.45 C ATOM 504 O PRO A2080 5.153 -10.631 -0.666 1.00 0.51 O ATOM 505 CB PRO A2080 3.728 -9.289 -2.983 1.00 0.39 C ATOM 506 CG PRO A2080 3.328 -9.568 -4.395 1.00 0.39 C ATOM 507 CD PRO A2080 4.357 -10.499 -4.954 1.00 0.32 C ATOM 0 HA PRO A2080 5.860 -8.875 -2.526 1.00 0.32 H new ATOM 0 HB2 PRO A2080 3.121 -9.866 -2.285 1.00 0.39 H new ATOM 0 HB3 PRO A2080 3.583 -8.237 -2.738 1.00 0.39 H new ATOM 0 HG2 PRO A2080 2.336 -10.018 -4.435 1.00 0.39 H new ATOM 0 HG3 PRO A2080 3.284 -8.646 -4.975 1.00 0.39 H new ATOM 0 HD2 PRO A2080 4.099 -11.544 -4.781 1.00 0.32 H new ATOM 0 HD3 PRO A2080 4.478 -10.374 -6.030 1.00 0.32 H new ATOM 515 N GLU A2081 5.749 -11.973 -2.370 1.00 0.53 N ATOM 516 CA GLU A2081 5.862 -13.176 -1.557 1.00 0.64 C ATOM 517 C GLU A2081 7.083 -13.108 -0.642 1.00 0.56 C ATOM 518 O GLU A2081 7.354 -14.021 0.139 1.00 0.70 O ATOM 519 CB GLU A2081 5.943 -14.388 -2.481 1.00 0.84 C ATOM 520 CG GLU A2081 7.308 -14.627 -3.097 1.00 0.93 C ATOM 521 CD GLU A2081 7.258 -15.701 -4.159 1.00 1.28 C ATOM 522 OE1 GLU A2081 6.737 -15.440 -5.259 1.00 1.54 O ATOM 523 OE2 GLU A2081 7.760 -16.816 -3.901 1.00 1.45 O ATOM 0 H GLU A2081 5.991 -12.110 -3.351 1.00 0.53 H new ATOM 0 HA GLU A2081 4.984 -13.263 -0.917 1.00 0.64 H new ATOM 0 HB2 GLU A2081 5.653 -15.276 -1.919 1.00 0.84 H new ATOM 0 HB3 GLU A2081 5.214 -14.266 -3.282 1.00 0.84 H new ATOM 0 HG2 GLU A2081 7.678 -13.699 -3.534 1.00 0.93 H new ATOM 0 HG3 GLU A2081 8.014 -14.917 -2.318 1.00 0.93 H new ATOM 530 N SER A2082 7.813 -12.015 -0.752 1.00 0.43 N ATOM 531 CA SER A2082 8.995 -11.792 0.059 1.00 0.43 C ATOM 532 C SER A2082 8.814 -10.538 0.918 1.00 0.33 C ATOM 533 O SER A2082 9.771 -9.996 1.468 1.00 0.38 O ATOM 534 CB SER A2082 10.215 -11.655 -0.853 1.00 0.54 C ATOM 535 OG SER A2082 11.429 -11.723 -0.129 1.00 0.63 O ATOM 0 H SER A2082 7.605 -11.259 -1.404 1.00 0.43 H new ATOM 0 HA SER A2082 9.147 -12.640 0.726 1.00 0.43 H new ATOM 0 HB2 SER A2082 10.196 -12.444 -1.604 1.00 0.54 H new ATOM 0 HB3 SER A2082 10.164 -10.706 -1.387 1.00 0.54 H new ATOM 0 HG SER A2082 11.369 -11.152 0.665 1.00 0.63 H new ATOM 541 N ILE A2083 7.572 -10.077 1.026 1.00 0.25 N ATOM 542 CA ILE A2083 7.269 -8.873 1.790 1.00 0.17 C ATOM 543 C ILE A2083 6.759 -9.228 3.177 1.00 0.15 C ATOM 544 O ILE A2083 5.675 -9.797 3.321 1.00 0.22 O ATOM 545 CB ILE A2083 6.208 -8.010 1.075 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.602 -7.789 -0.378 1.00 0.18 C ATOM 547 CG2 ILE A2083 6.033 -6.668 1.777 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.851 -6.964 -0.544 1.00 0.22 C ATOM 0 H ILE A2083 6.760 -10.519 0.594 1.00 0.25 H new ATOM 0 HA ILE A2083 8.195 -8.305 1.875 1.00 0.17 H new ATOM 0 HB ILE A2083 5.258 -8.543 1.111 1.00 0.13 H new ATOM 0 HG12 ILE A2083 6.749 -8.757 -0.857 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.780 -7.297 -0.898 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.280 -6.079 1.253 1.00 0.12 H new ATOM 0 HG22 ILE A2083 5.713 -6.834 2.806 1.00 0.12 H new ATOM 0 HG23 ILE A2083 6.981 -6.130 1.775 1.00 0.12 H new ATOM 0 HD11 ILE A2083 8.072 -6.847 -1.605 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.701 -5.982 -0.094 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.686 -7.464 -0.053 1.00 0.22 H new ATOM 560 N SER A2084 7.550 -8.908 4.189 1.00 0.14 N ATOM 561 CA SER A2084 7.149 -9.115 5.570 1.00 0.14 C ATOM 562 C SER A2084 6.406 -7.885 6.089 1.00 0.12 C ATOM 563 O SER A2084 7.004 -6.823 6.255 1.00 0.12 O ATOM 564 CB SER A2084 8.382 -9.385 6.432 1.00 0.19 C ATOM 565 OG SER A2084 9.141 -10.460 5.902 1.00 0.28 O ATOM 0 H SER A2084 8.479 -8.502 4.078 1.00 0.14 H new ATOM 0 HA SER A2084 6.483 -9.976 5.622 1.00 0.14 H new ATOM 0 HB2 SER A2084 8.999 -8.488 6.483 1.00 0.19 H new ATOM 0 HB3 SER A2084 8.075 -9.619 7.451 1.00 0.19 H new ATOM 0 HG SER A2084 9.926 -10.616 6.467 1.00 0.28 H new ATOM 571 N PRO A2085 5.094 -8.015 6.348 1.00 0.12 N ATOM 572 CA PRO A2085 4.260 -6.897 6.799 1.00 0.12 C ATOM 573 C PRO A2085 4.674 -6.371 8.154 1.00 0.12 C ATOM 574 O PRO A2085 4.457 -5.199 8.471 1.00 0.13 O ATOM 575 CB PRO A2085 2.853 -7.480 6.888 1.00 0.15 C ATOM 576 CG PRO A2085 3.035 -8.959 6.930 1.00 0.15 C ATOM 577 CD PRO A2085 4.321 -9.257 6.214 1.00 0.14 C ATOM 0 HA PRO A2085 4.344 -6.053 6.114 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.336 -7.123 7.779 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.250 -7.183 6.030 1.00 0.15 H new ATOM 0 HG2 PRO A2085 3.074 -9.315 7.960 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.198 -9.466 6.449 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.842 -10.103 6.663 1.00 0.14 H new ATOM 0 HD3 PRO A2085 4.147 -9.509 5.168 1.00 0.14 H new ATOM 585 N ALA A2086 5.249 -7.248 8.955 1.00 0.11 N ATOM 586 CA ALA A2086 5.670 -6.877 10.292 1.00 0.12 C ATOM 587 C ALA A2086 6.947 -6.045 10.262 1.00 0.11 C ATOM 588 O ALA A2086 7.163 -5.200 11.131 1.00 0.14 O ATOM 589 CB ALA A2086 5.863 -8.114 11.151 1.00 0.14 C ATOM 0 H ALA A2086 5.435 -8.219 8.704 1.00 0.11 H new ATOM 0 HA ALA A2086 4.883 -6.264 10.731 1.00 0.12 H new ATOM 0 HB1 ALA A2086 6.179 -7.817 12.151 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.923 -8.663 11.215 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.626 -8.752 10.704 1.00 0.14 H new ATOM 595 N THR A2087 7.790 -6.282 9.267 1.00 0.10 N ATOM 596 CA THR A2087 9.000 -5.505 9.104 1.00 0.11 C ATOM 597 C THR A2087 8.656 -4.156 8.521 1.00 0.10 C ATOM 598 O THR A2087 7.719 -4.017 7.736 1.00 0.10 O ATOM 599 CB THR A2087 10.005 -6.189 8.167 1.00 0.14 C ATOM 600 OG1 THR A2087 10.274 -7.523 8.618 1.00 0.16 O ATOM 601 CG2 THR A2087 11.310 -5.398 8.069 1.00 0.16 C ATOM 0 H THR A2087 7.654 -7.007 8.563 1.00 0.10 H new ATOM 0 HA THR A2087 9.456 -5.406 10.089 1.00 0.11 H new ATOM 0 HB THR A2087 9.559 -6.226 7.173 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.915 -7.950 8.012 1.00 0.16 H new ATOM 0 HG21 THR A2087 11.997 -5.912 7.397 1.00 0.16 H new ATOM 0 HG22 THR A2087 11.103 -4.400 7.682 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.761 -5.317 9.058 1.00 0.16 H new ATOM 609 N ALA A2088 9.424 -3.176 8.902 1.00 0.12 N ATOM 610 CA ALA A2088 9.228 -1.833 8.418 1.00 0.12 C ATOM 611 C ALA A2088 9.849 -1.695 7.050 1.00 0.11 C ATOM 612 O ALA A2088 10.903 -2.269 6.778 1.00 0.12 O ATOM 613 CB ALA A2088 9.817 -0.824 9.382 1.00 0.15 C ATOM 0 H ALA A2088 10.201 -3.281 9.554 1.00 0.12 H new ATOM 0 HA ALA A2088 8.159 -1.634 8.343 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.658 0.183 8.997 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.332 -0.922 10.353 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.886 -1.006 9.491 1.00 0.15 H new ATOM 619 N PHE A2089 9.172 -0.944 6.195 1.00 0.10 N ATOM 620 CA PHE A2089 9.630 -0.704 4.828 1.00 0.09 C ATOM 621 C PHE A2089 11.090 -0.307 4.783 1.00 0.09 C ATOM 622 O PHE A2089 11.805 -0.667 3.850 1.00 0.12 O ATOM 623 CB PHE A2089 8.803 0.394 4.184 1.00 0.09 C ATOM 624 CG PHE A2089 7.489 -0.078 3.654 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.432 -0.945 2.576 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.312 0.344 4.235 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.219 -1.380 2.089 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.099 -0.086 3.751 1.00 0.12 C ATOM 629 CZ PHE A2089 5.052 -0.951 2.679 1.00 0.10 C ATOM 0 H PHE A2089 8.291 -0.483 6.425 1.00 0.10 H new ATOM 0 HA PHE A2089 9.509 -1.639 4.280 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.628 1.182 4.916 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.375 0.838 3.369 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.347 -1.283 2.113 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.343 1.018 5.078 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.184 -2.055 1.247 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.183 0.254 4.211 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.099 -1.292 2.302 1.00 0.10 H new ATOM 639 N LYS A2090 11.513 0.460 5.775 1.00 0.12 N ATOM 640 CA LYS A2090 12.903 0.820 5.925 1.00 0.16 C ATOM 641 C LYS A2090 13.793 -0.406 5.821 1.00 0.17 C ATOM 642 O LYS A2090 14.576 -0.542 4.881 1.00 0.20 O ATOM 643 CB LYS A2090 13.133 1.476 7.279 1.00 0.21 C ATOM 644 CG LYS A2090 14.586 1.795 7.537 1.00 0.29 C ATOM 645 CD LYS A2090 15.093 2.777 6.512 1.00 0.38 C ATOM 646 CE LYS A2090 16.028 2.114 5.529 1.00 1.54 C ATOM 647 NZ LYS A2090 16.399 3.022 4.411 1.00 1.69 N ATOM 0 H LYS A2090 10.901 0.846 6.493 1.00 0.12 H new ATOM 0 HA LYS A2090 13.154 1.517 5.126 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.549 2.394 7.336 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.766 0.815 8.064 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.703 2.210 8.538 1.00 0.29 H new ATOM 0 HG3 LYS A2090 15.179 0.881 7.500 1.00 0.29 H new ATOM 0 HD2 LYS A2090 14.250 3.214 5.977 1.00 0.38 H new ATOM 0 HD3 LYS A2090 15.610 3.595 7.014 1.00 0.38 H new ATOM 0 HE2 LYS A2090 16.930 1.792 6.048 1.00 1.54 H new ATOM 0 HE3 LYS A2090 15.555 1.218 5.126 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 17.306 2.718 4.004 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 15.662 2.989 3.678 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 16.488 3.994 4.769 1.00 1.69 H new ATOM 661 N ASP A2091 13.653 -1.291 6.795 1.00 0.17 N ATOM 662 CA ASP A2091 14.456 -2.506 6.853 1.00 0.20 C ATOM 663 C ASP A2091 14.279 -3.348 5.591 1.00 0.20 C ATOM 664 O ASP A2091 15.190 -4.058 5.164 1.00 0.32 O ATOM 665 CB ASP A2091 14.101 -3.334 8.088 1.00 0.24 C ATOM 666 CG ASP A2091 14.961 -4.577 8.219 1.00 1.23 C ATOM 667 OD1 ASP A2091 14.489 -5.670 7.846 1.00 2.27 O ATOM 668 OD2 ASP A2091 16.111 -4.469 8.686 1.00 1.15 O ATOM 0 H ASP A2091 12.987 -1.191 7.561 1.00 0.17 H new ATOM 0 HA ASP A2091 15.501 -2.205 6.921 1.00 0.20 H new ATOM 0 HB2 ASP A2091 14.218 -2.719 8.980 1.00 0.24 H new ATOM 0 HB3 ASP A2091 13.052 -3.625 8.037 1.00 0.24 H new ATOM 673 N LEU A2092 13.103 -3.246 4.989 1.00 0.16 N ATOM 674 CA LEU A2092 12.781 -3.982 3.776 1.00 0.18 C ATOM 675 C LEU A2092 13.528 -3.435 2.560 1.00 0.19 C ATOM 676 O LEU A2092 13.622 -4.104 1.531 1.00 0.24 O ATOM 677 CB LEU A2092 11.272 -3.951 3.556 1.00 0.17 C ATOM 678 CG LEU A2092 10.482 -4.675 4.646 1.00 0.19 C ATOM 679 CD1 LEU A2092 8.995 -4.414 4.536 1.00 0.18 C ATOM 680 CD2 LEU A2092 10.757 -6.160 4.580 1.00 0.23 C ATOM 0 H LEU A2092 12.346 -2.651 5.327 1.00 0.16 H new ATOM 0 HA LEU A2092 13.107 -5.015 3.900 1.00 0.18 H new ATOM 0 HB2 LEU A2092 10.941 -2.914 3.507 1.00 0.17 H new ATOM 0 HB3 LEU A2092 11.044 -4.404 2.591 1.00 0.17 H new ATOM 0 HG LEU A2092 10.811 -4.285 5.609 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.472 -4.948 5.330 1.00 0.18 H new ATOM 0 HD12 LEU A2092 8.805 -3.345 4.631 1.00 0.18 H new ATOM 0 HD13 LEU A2092 8.635 -4.761 3.567 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.191 -6.670 5.360 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.457 -6.543 3.604 1.00 0.23 H new ATOM 0 HD23 LEU A2092 11.822 -6.340 4.728 1.00 0.23 H new ATOM 692 N GLY A2093 14.072 -2.230 2.678 1.00 0.16 N ATOM 693 CA GLY A2093 14.903 -1.697 1.617 1.00 0.18 C ATOM 694 C GLY A2093 14.406 -0.380 1.056 1.00 0.15 C ATOM 695 O GLY A2093 15.007 0.164 0.126 1.00 0.20 O ATOM 0 H GLY A2093 13.953 -1.616 3.484 1.00 0.16 H new ATOM 0 HA2 GLY A2093 15.916 -1.561 1.995 1.00 0.18 H new ATOM 0 HA3 GLY A2093 14.959 -2.427 0.810 1.00 0.18 H new ATOM 699 N ILE A2094 13.315 0.140 1.602 1.00 0.13 N ATOM 700 CA ILE A2094 12.758 1.396 1.132 1.00 0.12 C ATOM 701 C ILE A2094 13.678 2.584 1.407 1.00 0.12 C ATOM 702 O ILE A2094 14.190 2.759 2.519 1.00 0.16 O ATOM 703 CB ILE A2094 11.366 1.628 1.752 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.336 0.793 0.992 1.00 0.18 C ATOM 705 CG2 ILE A2094 10.992 3.102 1.754 1.00 0.18 C ATOM 706 CD1 ILE A2094 9.970 1.361 -0.357 1.00 0.32 C ATOM 0 H ILE A2094 12.800 -0.290 2.370 1.00 0.13 H new ATOM 0 HA ILE A2094 12.659 1.320 0.049 1.00 0.12 H new ATOM 0 HB ILE A2094 11.386 1.312 2.795 1.00 0.12 H new ATOM 0 HG12 ILE A2094 10.727 -0.216 0.858 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.433 0.707 1.597 1.00 0.18 H new ATOM 0 HG21 ILE A2094 10.005 3.226 2.198 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.725 3.662 2.335 1.00 0.18 H new ATOM 0 HG23 ILE A2094 10.978 3.475 0.730 1.00 0.18 H new ATOM 0 HD11 ILE A2094 9.235 0.715 -0.837 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.548 2.358 -0.230 1.00 0.32 H new ATOM 0 HD13 ILE A2094 10.862 1.421 -0.981 1.00 0.32 H new ATOM 718 N ASP A2095 13.891 3.378 0.364 1.00 0.15 N ATOM 719 CA ASP A2095 14.631 4.625 0.470 1.00 0.19 C ATOM 720 C ASP A2095 13.648 5.781 0.336 1.00 0.16 C ATOM 721 O ASP A2095 12.498 5.543 -0.017 1.00 0.17 O ATOM 722 CB ASP A2095 15.704 4.695 -0.626 1.00 0.28 C ATOM 723 CG ASP A2095 16.577 5.928 -0.528 1.00 1.04 C ATOM 724 OD1 ASP A2095 17.495 5.944 0.315 1.00 1.23 O ATOM 725 OD2 ASP A2095 16.351 6.883 -1.299 1.00 1.86 O ATOM 0 H ASP A2095 13.555 3.174 -0.577 1.00 0.15 H new ATOM 0 HA ASP A2095 15.134 4.684 1.435 1.00 0.19 H new ATOM 0 HB2 ASP A2095 16.333 3.807 -0.567 1.00 0.28 H new ATOM 0 HB3 ASP A2095 15.219 4.678 -1.602 1.00 0.28 H new ATOM 730 N SER A2096 14.064 7.011 0.607 1.00 0.19 N ATOM 731 CA SER A2096 13.151 8.151 0.525 1.00 0.20 C ATOM 732 C SER A2096 12.513 8.258 -0.866 1.00 0.17 C ATOM 733 O SER A2096 11.358 8.664 -1.002 1.00 0.20 O ATOM 734 CB SER A2096 13.885 9.444 0.865 1.00 0.26 C ATOM 735 OG SER A2096 14.446 9.382 2.166 1.00 1.32 O ATOM 0 H SER A2096 15.017 7.247 0.883 1.00 0.19 H new ATOM 0 HA SER A2096 12.354 7.991 1.251 1.00 0.20 H new ATOM 0 HB2 SER A2096 14.673 9.622 0.133 1.00 0.26 H new ATOM 0 HB3 SER A2096 13.195 10.286 0.802 1.00 0.26 H new ATOM 0 HG SER A2096 14.913 10.221 2.361 1.00 1.32 H new ATOM 741 N LEU A2097 13.262 7.864 -1.889 1.00 0.17 N ATOM 742 CA LEU A2097 12.778 7.911 -3.260 1.00 0.19 C ATOM 743 C LEU A2097 11.692 6.886 -3.454 1.00 0.18 C ATOM 744 O LEU A2097 10.591 7.205 -3.876 1.00 0.24 O ATOM 745 CB LEU A2097 13.918 7.621 -4.225 1.00 0.23 C ATOM 746 CG LEU A2097 15.174 8.462 -4.012 1.00 1.07 C ATOM 747 CD1 LEU A2097 16.232 8.107 -5.039 1.00 1.61 C ATOM 748 CD2 LEU A2097 14.850 9.946 -4.072 1.00 1.55 C ATOM 0 H LEU A2097 14.212 7.507 -1.792 1.00 0.17 H new ATOM 0 HA LEU A2097 12.380 8.906 -3.458 1.00 0.19 H new ATOM 0 HB2 LEU A2097 14.186 6.568 -4.141 1.00 0.23 H new ATOM 0 HB3 LEU A2097 13.561 7.779 -5.243 1.00 0.23 H new ATOM 0 HG LEU A2097 15.566 8.240 -3.019 1.00 1.07 H new ATOM 0 HD11 LEU A2097 17.120 8.716 -4.872 1.00 1.61 H new ATOM 0 HD12 LEU A2097 16.492 7.053 -4.944 1.00 1.61 H new ATOM 0 HD13 LEU A2097 15.845 8.296 -6.040 1.00 1.61 H new ATOM 0 HD21 LEU A2097 15.761 10.524 -3.917 1.00 1.55 H new ATOM 0 HD22 LEU A2097 14.429 10.187 -5.048 1.00 1.55 H new ATOM 0 HD23 LEU A2097 14.128 10.192 -3.294 1.00 1.55 H new ATOM 760 N THR A2098 12.001 5.653 -3.132 1.00 0.14 N ATOM 761 CA THR A2098 11.032 4.591 -3.275 1.00 0.15 C ATOM 762 C THR A2098 9.887 4.697 -2.279 1.00 0.16 C ATOM 763 O THR A2098 8.797 4.204 -2.543 1.00 0.17 O ATOM 764 CB THR A2098 11.667 3.206 -3.223 1.00 0.15 C ATOM 765 OG1 THR A2098 12.852 3.232 -2.411 1.00 0.17 O ATOM 766 CG2 THR A2098 11.989 2.759 -4.636 1.00 0.19 C ATOM 0 H THR A2098 12.909 5.360 -2.771 1.00 0.14 H new ATOM 0 HA THR A2098 10.609 4.722 -4.271 1.00 0.15 H new ATOM 0 HB THR A2098 10.971 2.497 -2.774 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.250 2.337 -2.384 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.444 1.769 -4.610 1.00 0.19 H new ATOM 0 HG22 THR A2098 11.072 2.721 -5.224 1.00 0.19 H new ATOM 0 HG23 THR A2098 12.683 3.465 -5.092 1.00 0.19 H new ATOM 774 N ALA A2099 10.123 5.333 -1.141 1.00 0.16 N ATOM 775 CA ALA A2099 9.034 5.666 -0.229 1.00 0.18 C ATOM 776 C ALA A2099 8.048 6.588 -0.935 1.00 0.21 C ATOM 777 O ALA A2099 6.866 6.656 -0.596 1.00 0.24 O ATOM 778 CB ALA A2099 9.562 6.331 1.032 1.00 0.18 C ATOM 0 H ALA A2099 11.048 5.627 -0.827 1.00 0.16 H new ATOM 0 HA ALA A2099 8.529 4.745 0.064 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.729 6.569 1.694 1.00 0.18 H new ATOM 0 HB2 ALA A2099 10.248 5.654 1.541 1.00 0.18 H new ATOM 0 HB3 ALA A2099 10.088 7.248 0.767 1.00 0.18 H new ATOM 784 N LEU A2100 8.552 7.269 -1.947 1.00 0.20 N ATOM 785 CA LEU A2100 7.759 8.169 -2.745 1.00 0.24 C ATOM 786 C LEU A2100 7.153 7.391 -3.914 1.00 0.20 C ATOM 787 O LEU A2100 5.996 7.589 -4.274 1.00 0.21 O ATOM 788 CB LEU A2100 8.654 9.328 -3.223 1.00 0.30 C ATOM 789 CG LEU A2100 8.568 9.665 -4.707 1.00 0.24 C ATOM 790 CD1 LEU A2100 7.284 10.413 -5.010 1.00 1.03 C ATOM 791 CD2 LEU A2100 9.770 10.467 -5.156 1.00 1.15 C ATOM 0 H LEU A2100 9.529 7.209 -2.235 1.00 0.20 H new ATOM 0 HA LEU A2100 6.940 8.594 -2.165 1.00 0.24 H new ATOM 0 HB2 LEU A2100 8.397 10.220 -2.652 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.689 9.085 -2.985 1.00 0.30 H new ATOM 0 HG LEU A2100 8.563 8.728 -5.264 1.00 0.24 H new ATOM 0 HD11 LEU A2100 7.240 10.645 -6.074 1.00 1.03 H new ATOM 0 HD12 LEU A2100 6.429 9.794 -4.738 1.00 1.03 H new ATOM 0 HD13 LEU A2100 7.258 11.339 -4.436 1.00 1.03 H new ATOM 0 HD21 LEU A2100 9.681 10.692 -6.219 1.00 1.15 H new ATOM 0 HD22 LEU A2100 9.818 11.398 -4.590 1.00 1.15 H new ATOM 0 HD23 LEU A2100 10.678 9.889 -4.983 1.00 1.15 H new ATOM 803 N GLU A2101 7.942 6.483 -4.475 1.00 0.21 N ATOM 804 CA GLU A2101 7.513 5.665 -5.604 1.00 0.20 C ATOM 805 C GLU A2101 6.440 4.667 -5.190 1.00 0.17 C ATOM 806 O GLU A2101 5.535 4.355 -5.960 1.00 0.17 O ATOM 807 CB GLU A2101 8.709 4.922 -6.185 1.00 0.23 C ATOM 808 CG GLU A2101 9.875 5.838 -6.483 1.00 0.28 C ATOM 809 CD GLU A2101 10.983 5.164 -7.259 1.00 0.33 C ATOM 810 OE1 GLU A2101 12.135 5.171 -6.784 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.713 4.642 -8.359 1.00 0.45 O ATOM 0 H GLU A2101 8.894 6.293 -4.162 1.00 0.21 H new ATOM 0 HA GLU A2101 7.087 6.327 -6.359 1.00 0.20 H new ATOM 0 HB2 GLU A2101 9.028 4.150 -5.484 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.407 4.415 -7.101 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.517 6.698 -7.048 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.278 6.219 -5.544 1.00 0.28 H new ATOM 818 N LEU A2102 6.548 4.166 -3.973 1.00 0.16 N ATOM 819 CA LEU A2102 5.637 3.203 -3.460 1.00 0.16 C ATOM 820 C LEU A2102 4.240 3.784 -3.341 1.00 0.16 C ATOM 821 O LEU A2102 3.283 3.254 -3.902 1.00 0.21 O ATOM 822 CB LEU A2102 6.148 2.754 -2.109 1.00 0.22 C ATOM 823 CG LEU A2102 5.584 1.443 -1.673 1.00 0.53 C ATOM 824 CD1 LEU A2102 5.830 0.425 -2.752 1.00 1.09 C ATOM 825 CD2 LEU A2102 6.191 0.990 -0.368 1.00 1.13 C ATOM 0 H LEU A2102 7.285 4.430 -3.319 1.00 0.16 H new ATOM 0 HA LEU A2102 5.572 2.353 -4.140 1.00 0.16 H new ATOM 0 HB2 LEU A2102 7.235 2.681 -2.145 1.00 0.22 H new ATOM 0 HB3 LEU A2102 5.904 3.512 -1.365 1.00 0.22 H new ATOM 0 HG LEU A2102 4.512 1.555 -1.509 1.00 0.53 H new ATOM 0 HD11 LEU A2102 5.422 -0.538 -2.444 1.00 1.09 H new ATOM 0 HD12 LEU A2102 5.345 0.747 -3.673 1.00 1.09 H new ATOM 0 HD13 LEU A2102 6.902 0.327 -2.922 1.00 1.09 H new ATOM 0 HD21 LEU A2102 5.759 0.032 -0.079 1.00 1.13 H new ATOM 0 HD22 LEU A2102 7.269 0.880 -0.487 1.00 1.13 H new ATOM 0 HD23 LEU A2102 5.985 1.730 0.405 1.00 1.13 H new ATOM 837 N ARG A2103 4.136 4.880 -2.609 1.00 0.18 N ATOM 838 CA ARG A2103 2.874 5.607 -2.492 1.00 0.25 C ATOM 839 C ARG A2103 2.362 6.008 -3.875 1.00 0.22 C ATOM 840 O ARG A2103 1.162 6.144 -4.076 1.00 0.24 O ATOM 841 CB ARG A2103 3.035 6.843 -1.593 1.00 0.37 C ATOM 842 CG ARG A2103 3.908 7.946 -2.176 1.00 0.72 C ATOM 843 CD ARG A2103 3.087 9.014 -2.894 1.00 0.65 C ATOM 844 NE ARG A2103 3.938 9.986 -3.585 1.00 1.21 N ATOM 845 CZ ARG A2103 3.596 11.258 -3.821 1.00 1.49 C ATOM 846 NH1 ARG A2103 2.422 11.726 -3.419 1.00 1.92 N ATOM 847 NH2 ARG A2103 4.431 12.070 -4.461 1.00 2.11 N ATOM 0 H ARG A2103 4.909 5.290 -2.084 1.00 0.18 H new ATOM 0 HA ARG A2103 2.140 4.948 -2.029 1.00 0.25 H new ATOM 0 HB2 ARG A2103 2.047 7.253 -1.383 1.00 0.37 H new ATOM 0 HB3 ARG A2103 3.459 6.529 -0.639 1.00 0.37 H new ATOM 0 HG2 ARG A2103 4.485 8.411 -1.377 1.00 0.72 H new ATOM 0 HG3 ARG A2103 4.623 7.510 -2.874 1.00 0.72 H new ATOM 0 HD2 ARG A2103 2.422 8.537 -3.614 1.00 0.65 H new ATOM 0 HD3 ARG A2103 2.456 9.533 -2.172 1.00 0.65 H new ATOM 0 HE ARG A2103 4.853 9.672 -3.908 1.00 1.21 H new ATOM 0 HH11 ARG A2103 1.771 11.115 -2.925 1.00 1.92 H new ATOM 0 HH12 ARG A2103 2.170 12.697 -3.603 1.00 1.92 H new ATOM 0 HH21 ARG A2103 5.338 11.725 -4.775 1.00 2.11 H new ATOM 0 HH22 ARG A2103 4.165 13.039 -4.638 1.00 2.11 H new ATOM 861 N ASN A2104 3.280 6.191 -4.820 1.00 0.21 N ATOM 862 CA ASN A2104 2.920 6.480 -6.199 1.00 0.22 C ATOM 863 C ASN A2104 2.172 5.298 -6.811 1.00 0.23 C ATOM 864 O ASN A2104 1.104 5.465 -7.401 1.00 0.29 O ATOM 865 CB ASN A2104 4.174 6.807 -7.018 1.00 0.23 C ATOM 866 CG ASN A2104 4.577 8.267 -6.927 1.00 0.31 C ATOM 867 OD1 ASN A2104 3.746 9.139 -6.679 1.00 0.40 O ATOM 868 ND2 ASN A2104 5.855 8.550 -7.137 1.00 0.36 N ATOM 0 H ASN A2104 4.285 6.143 -4.651 1.00 0.21 H new ATOM 0 HA ASN A2104 2.262 7.349 -6.214 1.00 0.22 H new ATOM 0 HB2 ASN A2104 5.000 6.186 -6.672 1.00 0.23 H new ATOM 0 HB3 ASN A2104 3.997 6.549 -8.062 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.177 9.517 -7.095 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.517 7.801 -7.340 1.00 0.36 H new ATOM 875 N THR A2105 2.727 4.101 -6.643 1.00 0.21 N ATOM 876 CA THR A2105 2.084 2.875 -7.103 1.00 0.24 C ATOM 877 C THR A2105 0.743 2.674 -6.397 1.00 0.22 C ATOM 878 O THR A2105 -0.250 2.287 -7.018 1.00 0.24 O ATOM 879 CB THR A2105 2.989 1.657 -6.834 1.00 0.28 C ATOM 880 OG1 THR A2105 4.321 1.927 -7.288 1.00 0.33 O ATOM 881 CG2 THR A2105 2.456 0.418 -7.535 1.00 0.28 C ATOM 0 H THR A2105 3.628 3.954 -6.188 1.00 0.21 H new ATOM 0 HA THR A2105 1.914 2.967 -8.176 1.00 0.24 H new ATOM 0 HB THR A2105 2.998 1.472 -5.760 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.891 1.149 -7.112 1.00 0.33 H new ATOM 0 HG21 THR A2105 3.113 -0.427 -7.329 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.453 0.196 -7.169 1.00 0.28 H new ATOM 0 HG23 THR A2105 2.419 0.596 -8.610 1.00 0.28 H new ATOM 889 N LEU A2106 0.728 2.946 -5.097 1.00 0.20 N ATOM 890 CA LEU A2106 -0.492 2.867 -4.300 1.00 0.19 C ATOM 891 C LEU A2106 -1.547 3.835 -4.825 1.00 0.18 C ATOM 892 O LEU A2106 -2.679 3.440 -5.069 1.00 0.22 O ATOM 893 CB LEU A2106 -0.185 3.174 -2.829 1.00 0.28 C ATOM 894 CG LEU A2106 0.253 1.982 -1.963 1.00 0.50 C ATOM 895 CD1 LEU A2106 1.353 1.174 -2.630 1.00 1.25 C ATOM 896 CD2 LEU A2106 0.721 2.472 -0.604 1.00 1.47 C ATOM 0 H LEU A2106 1.554 3.226 -4.568 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.885 1.853 -4.378 1.00 0.19 H new ATOM 0 HB2 LEU A2106 0.600 3.930 -2.793 1.00 0.28 H new ATOM 0 HB3 LEU A2106 -1.074 3.616 -2.379 1.00 0.28 H new ATOM 0 HG LEU A2106 -0.610 1.328 -1.839 1.00 0.50 H new ATOM 0 HD11 LEU A2106 1.634 0.341 -1.986 1.00 1.25 H new ATOM 0 HD12 LEU A2106 0.994 0.789 -3.585 1.00 1.25 H new ATOM 0 HD13 LEU A2106 2.221 1.811 -2.799 1.00 1.25 H new ATOM 0 HD21 LEU A2106 1.029 1.621 0.003 1.00 1.47 H new ATOM 0 HD22 LEU A2106 1.564 3.151 -0.733 1.00 1.47 H new ATOM 0 HD23 LEU A2106 -0.094 2.997 -0.106 1.00 1.47 H new ATOM 908 N THR A2107 -1.167 5.097 -5.006 1.00 0.19 N ATOM 909 CA THR A2107 -2.040 6.107 -5.536 1.00 0.27 C ATOM 910 C THR A2107 -2.578 5.697 -6.908 1.00 0.29 C ATOM 911 O THR A2107 -3.758 5.878 -7.212 1.00 0.33 O ATOM 912 CB THR A2107 -1.245 7.413 -5.637 1.00 0.37 C ATOM 913 OG1 THR A2107 -0.827 7.833 -4.334 1.00 0.67 O ATOM 914 CG2 THR A2107 -2.059 8.489 -6.278 1.00 0.44 C ATOM 0 H THR A2107 -0.232 5.437 -4.782 1.00 0.19 H new ATOM 0 HA THR A2107 -2.899 6.239 -4.878 1.00 0.27 H new ATOM 0 HB THR A2107 -0.368 7.230 -6.258 1.00 0.37 H new ATOM 0 HG1 THR A2107 0.005 7.375 -4.094 1.00 0.67 H new ATOM 0 HG21 THR A2107 -1.470 9.404 -6.337 1.00 0.44 H new ATOM 0 HG22 THR A2107 -2.347 8.178 -7.282 1.00 0.44 H new ATOM 0 HG23 THR A2107 -2.954 8.671 -5.683 1.00 0.44 H new ATOM 922 N HIS A2108 -1.698 5.130 -7.716 1.00 0.29 N ATOM 923 CA HIS A2108 -2.054 4.607 -9.028 1.00 0.35 C ATOM 924 C HIS A2108 -3.113 3.514 -8.910 1.00 0.35 C ATOM 925 O HIS A2108 -4.136 3.541 -9.591 1.00 0.47 O ATOM 926 CB HIS A2108 -0.794 4.057 -9.688 1.00 0.38 C ATOM 927 CG HIS A2108 -0.976 3.599 -11.098 1.00 0.61 C ATOM 928 ND1 HIS A2108 -0.930 4.441 -12.186 1.00 0.71 N ATOM 929 CD2 HIS A2108 -1.180 2.363 -11.589 1.00 1.06 C ATOM 930 CE1 HIS A2108 -1.099 3.737 -13.289 1.00 1.01 C ATOM 931 NE2 HIS A2108 -1.253 2.470 -12.954 1.00 1.29 N ATOM 0 H HIS A2108 -0.712 5.018 -7.481 1.00 0.29 H new ATOM 0 HA HIS A2108 -2.474 5.408 -9.636 1.00 0.35 H new ATOM 0 HB2 HIS A2108 -0.024 4.828 -9.668 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.424 3.221 -9.094 1.00 0.38 H new ATOM 0 HD2 HIS A2108 -1.270 1.454 -11.014 1.00 1.06 H new ATOM 0 HE1 HIS A2108 -1.110 4.131 -14.295 1.00 1.01 H new ATOM 0 HE2 HIS A2108 -1.402 1.698 -13.603 1.00 1.29 H new ATOM 940 N ASN A2109 -2.853 2.564 -8.029 1.00 0.27 N ATOM 941 CA ASN A2109 -3.727 1.402 -7.846 1.00 0.28 C ATOM 942 C ASN A2109 -5.048 1.749 -7.155 1.00 0.28 C ATOM 943 O ASN A2109 -6.113 1.304 -7.585 1.00 0.36 O ATOM 944 CB ASN A2109 -3.000 0.327 -7.045 1.00 0.28 C ATOM 945 CG ASN A2109 -2.398 -0.745 -7.929 1.00 0.35 C ATOM 946 OD1 ASN A2109 -3.056 -1.728 -8.273 1.00 0.40 O ATOM 947 ND2 ASN A2109 -1.140 -0.566 -8.290 1.00 0.39 N ATOM 0 H ASN A2109 -2.035 2.569 -7.419 1.00 0.27 H new ATOM 0 HA ASN A2109 -3.973 1.034 -8.842 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.211 0.791 -6.453 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.696 -0.133 -6.344 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -0.675 -1.258 -8.878 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -0.634 0.264 -7.981 1.00 0.39 H new ATOM 954 N THR A2110 -4.976 2.543 -6.096 1.00 0.25 N ATOM 955 CA THR A2110 -6.139 2.850 -5.273 1.00 0.26 C ATOM 956 C THR A2110 -6.977 3.937 -5.915 1.00 0.27 C ATOM 957 O THR A2110 -8.182 4.020 -5.700 1.00 0.33 O ATOM 958 CB THR A2110 -5.711 3.293 -3.862 1.00 0.27 C ATOM 959 OG1 THR A2110 -4.836 4.425 -3.951 1.00 0.24 O ATOM 960 CG2 THR A2110 -5.007 2.164 -3.126 1.00 0.29 C ATOM 0 H THR A2110 -4.115 2.991 -5.784 1.00 0.25 H new ATOM 0 HA THR A2110 -6.737 1.942 -5.191 1.00 0.26 H new ATOM 0 HB THR A2110 -6.608 3.564 -3.305 1.00 0.27 H new ATOM 0 HG1 THR A2110 -3.907 4.117 -4.004 1.00 0.24 H new ATOM 0 HG21 THR A2110 -4.715 2.504 -2.132 1.00 0.29 H new ATOM 0 HG22 THR A2110 -5.682 1.313 -3.035 1.00 0.29 H new ATOM 0 HG23 THR A2110 -4.119 1.865 -3.682 1.00 0.29 H new ATOM 968 N GLY A2111 -6.325 4.769 -6.709 1.00 0.23 N ATOM 969 CA GLY A2111 -7.020 5.822 -7.406 1.00 0.26 C ATOM 970 C GLY A2111 -7.228 7.044 -6.537 1.00 0.29 C ATOM 971 O GLY A2111 -7.827 8.027 -6.965 1.00 0.36 O ATOM 0 H GLY A2111 -5.321 4.731 -6.883 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -6.454 6.102 -8.294 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -7.987 5.453 -7.748 1.00 0.26 H new ATOM 975 N LEU A2112 -6.708 6.981 -5.321 1.00 0.28 N ATOM 976 CA LEU A2112 -6.862 8.059 -4.357 1.00 0.34 C ATOM 977 C LEU A2112 -5.726 9.043 -4.481 1.00 0.29 C ATOM 978 O LEU A2112 -5.048 9.125 -5.508 1.00 0.29 O ATOM 979 CB LEU A2112 -6.849 7.517 -2.932 1.00 0.43 C ATOM 980 CG LEU A2112 -7.198 6.050 -2.769 1.00 0.33 C ATOM 981 CD1 LEU A2112 -6.680 5.579 -1.435 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.694 5.815 -2.869 1.00 0.47 C ATOM 0 H LEU A2112 -6.170 6.186 -4.976 1.00 0.28 H new ATOM 0 HA LEU A2112 -7.814 8.547 -4.565 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -5.857 7.681 -2.512 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -7.548 8.104 -2.336 1.00 0.43 H new ATOM 0 HG LEU A2112 -6.732 5.484 -3.575 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -6.923 4.525 -1.302 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -5.598 5.710 -1.398 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -7.143 6.161 -0.639 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -8.904 4.752 -2.747 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -9.204 6.378 -2.087 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.050 6.146 -3.845 1.00 0.47 H new ATOM 994 N ASP A2113 -5.544 9.787 -3.414 1.00 0.28 N ATOM 995 CA ASP A2113 -4.489 10.767 -3.321 1.00 0.28 C ATOM 996 C ASP A2113 -3.755 10.580 -2.014 1.00 0.30 C ATOM 997 O ASP A2113 -4.359 10.586 -0.940 1.00 0.35 O ATOM 998 CB ASP A2113 -5.067 12.166 -3.419 1.00 0.34 C ATOM 999 CG ASP A2113 -4.034 13.251 -3.202 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -3.050 13.303 -3.970 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -4.194 14.054 -2.258 1.00 0.43 O ATOM 0 H ASP A2113 -6.129 9.728 -2.581 1.00 0.28 H new ATOM 0 HA ASP A2113 -3.788 10.633 -4.145 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -5.522 12.297 -4.401 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -5.862 12.277 -2.682 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.463 10.387 -2.126 1.00 0.30 N ATOM 1007 CA LEU A2114 -1.628 10.008 -0.997 1.00 0.30 C ATOM 1008 C LEU A2114 -0.342 10.825 -0.980 1.00 0.30 C ATOM 1009 O LEU A2114 0.186 11.185 -2.031 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.287 8.519 -1.088 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.489 7.585 -1.246 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -2.026 6.153 -1.440 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.406 7.701 -0.038 1.00 0.91 C ATOM 0 H LEU A2114 -1.953 10.487 -3.004 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.178 10.205 -0.077 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.615 8.367 -1.933 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -0.740 8.232 -0.190 1.00 0.32 H new ATOM 0 HG LEU A2114 -3.050 7.881 -2.132 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -2.893 5.502 -1.551 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -1.407 6.089 -2.335 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -1.444 5.838 -0.574 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -4.257 7.032 -0.162 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -2.857 7.427 0.863 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -3.761 8.728 0.052 1.00 0.91 H new ATOM 1025 N PRO A2115 0.182 11.104 0.221 1.00 0.29 N ATOM 1026 CA PRO A2115 1.411 11.883 0.407 1.00 0.31 C ATOM 1027 C PRO A2115 2.667 11.041 0.203 1.00 0.28 C ATOM 1028 O PRO A2115 2.632 9.817 0.337 1.00 0.25 O ATOM 1029 CB PRO A2115 1.311 12.306 1.870 1.00 0.33 C ATOM 1030 CG PRO A2115 0.612 11.166 2.523 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.388 10.670 1.511 1.00 0.30 C ATOM 0 HA PRO A2115 1.493 12.704 -0.305 1.00 0.31 H new ATOM 0 HB2 PRO A2115 2.296 12.474 2.306 1.00 0.33 H new ATOM 0 HB3 PRO A2115 0.751 13.235 1.980 1.00 0.33 H new ATOM 0 HG2 PRO A2115 1.316 10.380 2.797 1.00 0.29 H new ATOM 0 HG3 PRO A2115 0.116 11.484 3.440 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -0.501 9.587 1.556 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.375 11.100 1.678 1.00 0.30 H new ATOM 1039 N PRO A2116 3.803 11.685 -0.107 1.00 0.33 N ATOM 1040 CA PRO A2116 5.082 10.994 -0.237 1.00 0.36 C ATOM 1041 C PRO A2116 5.684 10.678 1.127 1.00 0.34 C ATOM 1042 O PRO A2116 6.769 10.109 1.229 1.00 0.43 O ATOM 1043 CB PRO A2116 5.942 11.993 -1.005 1.00 0.44 C ATOM 1044 CG PRO A2116 5.408 13.325 -0.615 1.00 0.46 C ATOM 1045 CD PRO A2116 3.933 13.135 -0.364 1.00 0.43 C ATOM 0 HA PRO A2116 4.996 10.031 -0.740 1.00 0.36 H new ATOM 0 HB2 PRO A2116 6.995 11.895 -0.741 1.00 0.44 H new ATOM 0 HB3 PRO A2116 5.867 11.835 -2.081 1.00 0.44 H new ATOM 0 HG2 PRO A2116 5.909 13.698 0.278 1.00 0.46 H new ATOM 0 HG3 PRO A2116 5.577 14.057 -1.404 1.00 0.46 H new ATOM 0 HD2 PRO A2116 3.593 13.724 0.488 1.00 0.43 H new ATOM 0 HD3 PRO A2116 3.338 13.444 -1.223 1.00 0.43 H new ATOM 1053 N THR A2117 4.961 11.062 2.173 1.00 0.27 N ATOM 1054 CA THR A2117 5.364 10.778 3.537 1.00 0.24 C ATOM 1055 C THR A2117 4.581 9.600 4.102 1.00 0.17 C ATOM 1056 O THR A2117 4.751 9.232 5.260 1.00 0.15 O ATOM 1057 CB THR A2117 5.148 12.009 4.427 1.00 0.27 C ATOM 1058 OG1 THR A2117 3.865 12.582 4.142 1.00 0.32 O ATOM 1059 CG2 THR A2117 6.238 13.040 4.190 1.00 0.36 C ATOM 0 H THR A2117 4.084 11.576 2.096 1.00 0.27 H new ATOM 0 HA THR A2117 6.424 10.523 3.525 1.00 0.24 H new ATOM 0 HB THR A2117 5.189 11.700 5.472 1.00 0.27 H new ATOM 0 HG1 THR A2117 3.724 13.368 4.711 1.00 0.32 H new ATOM 0 HG21 THR A2117 6.066 13.905 4.831 1.00 0.36 H new ATOM 0 HG22 THR A2117 7.209 12.603 4.423 1.00 0.36 H new ATOM 0 HG23 THR A2117 6.222 13.353 3.146 1.00 0.36 H new ATOM 1067 N LEU A2118 3.717 9.023 3.268 1.00 0.16 N ATOM 1068 CA LEU A2118 2.922 7.864 3.612 1.00 0.16 C ATOM 1069 C LEU A2118 3.731 6.789 4.328 1.00 0.16 C ATOM 1070 O LEU A2118 3.399 6.381 5.441 1.00 0.19 O ATOM 1071 CB LEU A2118 2.398 7.306 2.312 1.00 0.23 C ATOM 1072 CG LEU A2118 1.208 6.394 2.422 1.00 0.33 C ATOM 1073 CD1 LEU A2118 0.083 7.107 3.137 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.804 5.983 1.034 1.00 0.77 C ATOM 0 H LEU A2118 3.553 9.360 2.319 1.00 0.16 H new ATOM 0 HA LEU A2118 2.127 8.162 4.295 1.00 0.16 H new ATOM 0 HB2 LEU A2118 2.134 8.140 1.661 1.00 0.23 H new ATOM 0 HB3 LEU A2118 3.205 6.762 1.821 1.00 0.23 H new ATOM 0 HG LEU A2118 1.453 5.504 3.001 1.00 0.33 H new ATOM 0 HD11 LEU A2118 -0.778 6.443 3.215 1.00 0.79 H new ATOM 0 HD12 LEU A2118 0.411 7.394 4.136 1.00 0.79 H new ATOM 0 HD13 LEU A2118 -0.197 7.999 2.577 1.00 0.79 H new ATOM 0 HD21 LEU A2118 -0.059 5.320 1.088 1.00 0.77 H new ATOM 0 HD22 LEU A2118 0.546 6.868 0.453 1.00 0.77 H new ATOM 0 HD23 LEU A2118 1.632 5.463 0.553 1.00 0.77 H new ATOM 1086 N ILE A2119 4.788 6.340 3.664 1.00 0.15 N ATOM 1087 CA ILE A2119 5.651 5.281 4.183 1.00 0.18 C ATOM 1088 C ILE A2119 6.270 5.671 5.528 1.00 0.20 C ATOM 1089 O ILE A2119 6.651 4.816 6.321 1.00 0.28 O ATOM 1090 CB ILE A2119 6.789 4.959 3.187 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.239 4.819 1.761 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.530 3.692 3.596 1.00 0.24 C ATOM 1093 CD1 ILE A2119 5.115 3.821 1.618 1.00 0.20 C ATOM 0 H ILE A2119 5.073 6.697 2.752 1.00 0.15 H new ATOM 0 HA ILE A2119 5.023 4.401 4.321 1.00 0.18 H new ATOM 0 HB ILE A2119 7.495 5.789 3.206 1.00 0.19 H new ATOM 0 HG12 ILE A2119 5.887 5.794 1.424 1.00 0.19 H new ATOM 0 HG13 ILE A2119 7.054 4.527 1.098 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.325 3.488 2.879 1.00 0.24 H new ATOM 0 HG22 ILE A2119 7.962 3.827 4.588 1.00 0.24 H new ATOM 0 HG23 ILE A2119 6.834 2.853 3.614 1.00 0.24 H new ATOM 0 HD11 ILE A2119 4.788 3.787 0.579 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.464 2.834 1.921 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.280 4.120 2.251 1.00 0.20 H new ATOM 1105 N PHE A2120 6.366 6.966 5.775 1.00 0.17 N ATOM 1106 CA PHE A2120 6.961 7.479 6.990 1.00 0.19 C ATOM 1107 C PHE A2120 5.916 7.654 8.090 1.00 0.20 C ATOM 1108 O PHE A2120 6.219 7.537 9.277 1.00 0.26 O ATOM 1109 CB PHE A2120 7.646 8.797 6.666 1.00 0.19 C ATOM 1110 CG PHE A2120 8.901 8.584 5.880 1.00 0.24 C ATOM 1111 CD1 PHE A2120 9.945 7.824 6.383 1.00 0.31 C ATOM 1112 CD2 PHE A2120 9.046 9.185 4.644 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.112 7.670 5.661 1.00 0.37 C ATOM 1114 CE2 PHE A2120 10.203 9.032 3.918 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.214 8.105 4.426 1.00 0.38 C ATOM 0 H PHE A2120 6.033 7.689 5.137 1.00 0.17 H new ATOM 0 HA PHE A2120 7.694 6.766 7.368 1.00 0.19 H new ATOM 0 HB2 PHE A2120 6.965 9.433 6.101 1.00 0.19 H new ATOM 0 HB3 PHE A2120 7.880 9.324 7.591 1.00 0.19 H new ATOM 0 HD1 PHE A2120 9.845 7.348 7.347 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.240 9.782 4.244 1.00 0.27 H new ATOM 0 HE1 PHE A2120 11.958 7.182 6.121 1.00 0.37 H new ATOM 0 HE2 PHE A2120 10.361 9.579 3.001 1.00 0.34 H new ATOM 0 HZ PHE A2120 12.030 7.784 3.796 1.00 0.38 H new ATOM 1125 N ASP A2121 4.687 7.931 7.679 1.00 0.17 N ATOM 1126 CA ASP A2121 3.574 8.117 8.608 1.00 0.22 C ATOM 1127 C ASP A2121 3.067 6.770 9.110 1.00 0.20 C ATOM 1128 O ASP A2121 2.639 6.632 10.256 1.00 0.29 O ATOM 1129 CB ASP A2121 2.439 8.869 7.910 1.00 0.29 C ATOM 1130 CG ASP A2121 1.366 9.354 8.867 1.00 0.74 C ATOM 1131 OD1 ASP A2121 0.182 9.013 8.670 1.00 1.34 O ATOM 1132 OD2 ASP A2121 1.708 10.054 9.841 1.00 0.88 O ATOM 0 H ASP A2121 4.430 8.033 6.697 1.00 0.17 H new ATOM 0 HA ASP A2121 3.924 8.698 9.461 1.00 0.22 H new ATOM 0 HB2 ASP A2121 2.853 9.724 7.375 1.00 0.29 H new ATOM 0 HB3 ASP A2121 1.984 8.217 7.165 1.00 0.29 H new ATOM 1137 N HIS A2122 3.116 5.781 8.230 1.00 0.14 N ATOM 1138 CA HIS A2122 2.690 4.421 8.545 1.00 0.14 C ATOM 1139 C HIS A2122 3.676 3.439 7.948 1.00 0.14 C ATOM 1140 O HIS A2122 3.431 2.870 6.884 1.00 0.14 O ATOM 1141 CB HIS A2122 1.307 4.113 7.975 1.00 0.16 C ATOM 1142 CG HIS A2122 0.221 5.007 8.465 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.588 4.693 9.531 1.00 0.34 N ATOM 1144 CD2 HIS A2122 -0.193 6.211 8.020 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.456 5.666 9.721 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -1.240 6.605 8.817 1.00 0.40 N ATOM 0 H HIS A2122 3.453 5.897 7.274 1.00 0.14 H new ATOM 0 HA HIS A2122 2.649 4.331 9.630 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.353 4.181 6.888 1.00 0.16 H new ATOM 0 HB3 HIS A2122 1.049 3.082 8.219 1.00 0.16 H new ATOM 0 HD2 HIS A2122 0.222 6.763 7.190 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -2.217 5.692 10.487 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -1.763 7.476 8.726 1.00 0.40 H new ATOM 1155 N PRO A2123 4.803 3.222 8.610 1.00 0.16 N ATOM 1156 CA PRO A2123 5.847 2.398 8.076 1.00 0.17 C ATOM 1157 C PRO A2123 5.706 0.953 8.509 1.00 0.15 C ATOM 1158 O PRO A2123 5.993 0.605 9.650 1.00 0.19 O ATOM 1159 CB PRO A2123 7.098 3.020 8.708 1.00 0.20 C ATOM 1160 CG PRO A2123 6.619 3.841 9.872 1.00 0.25 C ATOM 1161 CD PRO A2123 5.121 3.712 9.922 1.00 0.20 C ATOM 0 HA PRO A2123 5.853 2.371 6.986 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.793 2.247 9.037 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.630 3.641 7.987 1.00 0.20 H new ATOM 0 HG2 PRO A2123 7.067 3.489 10.801 1.00 0.25 H new ATOM 0 HG3 PRO A2123 6.911 4.884 9.753 1.00 0.25 H new ATOM 0 HD2 PRO A2123 4.800 3.021 10.701 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.639 4.668 10.125 1.00 0.20 H new ATOM 1169 N THR A2124 5.201 0.170 7.573 1.00 0.12 N ATOM 1170 CA THR A2124 5.257 -1.283 7.494 1.00 0.10 C ATOM 1171 C THR A2124 4.257 -1.649 6.413 1.00 0.10 C ATOM 1172 O THR A2124 3.319 -0.873 6.203 1.00 0.11 O ATOM 1173 CB THR A2124 4.928 -2.046 8.800 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.855 -1.422 9.507 1.00 0.13 O ATOM 1175 CG2 THR A2124 6.146 -2.146 9.686 1.00 0.11 C ATOM 0 H THR A2124 4.697 0.566 6.779 1.00 0.12 H new ATOM 0 HA THR A2124 6.284 -1.581 7.284 1.00 0.10 H new ATOM 0 HB THR A2124 4.615 -3.053 8.522 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.667 -1.925 10.327 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.890 -2.686 10.597 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.937 -2.679 9.158 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.492 -1.145 9.943 1.00 0.11 H new ATOM 1183 N PRO A2125 4.390 -2.761 5.693 1.00 0.11 N ATOM 1184 CA PRO A2125 3.349 -3.150 4.749 1.00 0.12 C ATOM 1185 C PRO A2125 2.000 -3.252 5.455 1.00 0.13 C ATOM 1186 O PRO A2125 0.970 -2.848 4.913 1.00 0.14 O ATOM 1187 CB PRO A2125 3.809 -4.506 4.224 1.00 0.12 C ATOM 1188 CG PRO A2125 5.280 -4.531 4.470 1.00 0.12 C ATOM 1189 CD PRO A2125 5.523 -3.693 5.697 1.00 0.11 C ATOM 0 HA PRO A2125 3.211 -2.427 3.945 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.307 -5.322 4.744 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.583 -4.617 3.163 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.631 -5.552 4.622 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.823 -4.132 3.614 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.543 -4.300 6.602 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.477 -3.168 5.644 1.00 0.11 H new ATOM 1197 N HIS A2126 2.028 -3.736 6.699 1.00 0.13 N ATOM 1198 CA HIS A2126 0.823 -3.851 7.506 1.00 0.15 C ATOM 1199 C HIS A2126 0.266 -2.480 7.896 1.00 0.14 C ATOM 1200 O HIS A2126 -0.938 -2.272 7.809 1.00 0.16 O ATOM 1201 CB HIS A2126 1.104 -4.708 8.746 1.00 0.18 C ATOM 1202 CG HIS A2126 0.005 -4.698 9.771 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -1.190 -5.359 9.599 1.00 0.35 N ATOM 1204 CD2 HIS A2126 -0.077 -4.087 10.976 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -1.959 -5.155 10.651 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -1.308 -4.387 11.504 1.00 0.40 N ATOM 0 H HIS A2126 2.877 -4.054 7.166 1.00 0.13 H new ATOM 0 HA HIS A2126 0.058 -4.342 6.905 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.279 -5.736 8.430 1.00 0.18 H new ATOM 0 HB3 HIS A2126 2.024 -4.357 9.214 1.00 0.18 H new ATOM 0 HD2 HIS A2126 0.685 -3.476 11.437 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -2.954 -5.550 10.791 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -1.661 -4.069 12.406 1.00 0.40 H new ATOM 1215 N ALA A2127 1.127 -1.546 8.312 1.00 0.13 N ATOM 1216 CA ALA A2127 0.663 -0.204 8.696 1.00 0.12 C ATOM 1217 C ALA A2127 -0.111 0.446 7.556 1.00 0.11 C ATOM 1218 O ALA A2127 -1.148 1.076 7.769 1.00 0.11 O ATOM 1219 CB ALA A2127 1.827 0.697 9.118 1.00 0.13 C ATOM 0 H ALA A2127 2.134 -1.688 8.392 1.00 0.13 H new ATOM 0 HA ALA A2127 0.000 -0.324 9.553 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.445 1.680 9.394 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.339 0.254 9.972 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.527 0.800 8.289 1.00 0.13 H new ATOM 1225 N LEU A2128 0.389 0.279 6.343 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.274 0.811 5.176 1.00 0.11 C ATOM 1227 C LEU A2128 -1.522 0.018 4.836 1.00 0.13 C ATOM 1228 O LEU A2128 -2.484 0.571 4.308 1.00 0.14 O ATOM 1229 CB LEU A2128 0.682 0.822 4.005 1.00 0.11 C ATOM 1230 CG LEU A2128 1.776 1.870 4.100 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.605 1.849 2.840 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.175 3.251 4.342 1.00 0.12 C ATOM 0 H LEU A2128 1.255 -0.223 6.146 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.585 1.832 5.396 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.144 -0.162 3.919 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.114 0.988 3.089 1.00 0.11 H new ATOM 0 HG LEU A2128 2.423 1.640 4.946 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.390 2.602 2.909 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.056 0.864 2.717 1.00 0.12 H new ATOM 0 HD13 LEU A2128 1.969 2.066 1.982 1.00 0.12 H new ATOM 0 HD21 LEU A2128 1.974 3.989 4.407 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.510 3.508 3.517 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.611 3.244 5.274 1.00 0.12 H new ATOM 1244 N THR A2129 -1.521 -1.264 5.165 1.00 0.15 N ATOM 1245 CA THR A2129 -2.691 -2.092 4.943 1.00 0.17 C ATOM 1246 C THR A2129 -3.852 -1.551 5.765 1.00 0.17 C ATOM 1247 O THR A2129 -5.020 -1.694 5.402 1.00 0.20 O ATOM 1248 CB THR A2129 -2.433 -3.567 5.315 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.303 -4.065 4.584 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.647 -4.426 5.002 1.00 0.18 C ATOM 0 H THR A2129 -0.728 -1.749 5.584 1.00 0.15 H new ATOM 0 HA THR A2129 -2.931 -2.058 3.880 1.00 0.17 H new ATOM 0 HB THR A2129 -2.233 -3.616 6.385 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.476 -3.743 5.000 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.440 -5.461 5.273 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.504 -4.066 5.571 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.869 -4.368 3.936 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.513 -0.902 6.863 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.514 -0.300 7.713 1.00 0.18 C ATOM 1260 C GLN A2130 -4.949 1.049 7.142 1.00 0.17 C ATOM 1261 O GLN A2130 -6.143 1.330 7.017 1.00 0.20 O ATOM 1262 CB GLN A2130 -3.983 -0.119 9.140 1.00 0.22 C ATOM 1263 CG GLN A2130 -3.023 -1.211 9.590 1.00 0.28 C ATOM 1264 CD GLN A2130 -2.929 -1.325 11.095 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -3.687 -2.066 11.720 1.00 1.66 O ATOM 1266 NE2 GLN A2130 -1.995 -0.601 11.686 1.00 1.13 N ATOM 0 H GLN A2130 -2.553 -0.780 7.184 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.375 -0.967 7.749 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.478 0.844 9.209 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -4.827 -0.086 9.829 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -3.347 -2.166 9.177 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -2.032 -1.008 9.183 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -1.388 0.000 11.129 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -1.881 -0.644 12.699 1.00 1.13 H new ATOM 1275 N HIS A2131 -3.972 1.878 6.773 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.262 3.224 6.294 1.00 0.18 C ATOM 1277 C HIS A2131 -4.983 3.204 4.950 1.00 0.18 C ATOM 1278 O HIS A2131 -6.008 3.860 4.789 1.00 0.19 O ATOM 1279 CB HIS A2131 -2.978 4.048 6.194 1.00 0.23 C ATOM 1280 CG HIS A2131 -3.211 5.461 5.751 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -2.843 6.098 4.619 1.00 0.32 N flip ATOM 1282 CD2 HIS A2131 -3.920 6.381 6.492 1.00 0.27 C flip ATOM 1283 CE1 HIS A2131 -3.330 7.377 4.692 1.00 0.35 C flip ATOM 1284 NE2 HIS A2131 -3.980 7.521 5.831 1.00 0.31 N flip ATOM 0 H HIS A2131 -2.980 1.641 6.797 1.00 0.16 H new ATOM 0 HA HIS A2131 -4.927 3.691 7.020 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.484 4.056 7.165 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.297 3.563 5.494 1.00 0.23 H new ATOM 0 HD2 HIS A2131 -4.358 6.198 7.462 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -3.203 8.142 3.940 1.00 0.35 H new ATOM 0 HE2 HIS A2131 -4.449 8.370 6.147 1.00 0.31 H new ATOM 1293 N LEU A2132 -4.445 2.471 3.984 1.00 0.19 N ATOM 1294 CA LEU A2132 -5.067 2.378 2.668 1.00 0.21 C ATOM 1295 C LEU A2132 -6.446 1.741 2.743 1.00 0.21 C ATOM 1296 O LEU A2132 -7.325 2.069 1.946 1.00 0.26 O ATOM 1297 CB LEU A2132 -4.179 1.615 1.680 1.00 0.26 C ATOM 1298 CG LEU A2132 -3.010 2.421 1.104 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -3.487 3.787 0.662 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -1.893 2.564 2.119 1.00 0.64 C ATOM 0 H LEU A2132 -3.584 1.934 4.085 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.186 3.398 2.302 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -3.781 0.732 2.180 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -4.799 1.262 0.856 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.619 1.881 0.241 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -2.648 4.351 0.254 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -4.255 3.674 -0.104 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -3.903 4.321 1.516 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -1.077 3.140 1.683 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -2.269 3.079 3.003 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -1.529 1.576 2.401 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.653 0.856 3.713 1.00 0.20 N ATOM 1313 CA HIS A2133 -7.964 0.262 3.899 1.00 0.21 C ATOM 1314 C HIS A2133 -8.926 1.335 4.369 1.00 0.21 C ATOM 1315 O HIS A2133 -10.081 1.370 3.961 1.00 0.27 O ATOM 1316 CB HIS A2133 -7.927 -0.895 4.906 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.233 -1.627 4.992 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.868 -1.913 6.180 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -10.035 -2.117 4.012 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -11.003 -2.543 5.930 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -11.127 -2.679 4.622 1.00 0.31 N ATOM 0 H HIS A2133 -5.940 0.541 4.371 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.297 -0.151 2.947 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -7.141 -1.594 4.621 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.667 -0.507 5.891 1.00 0.21 H new ATOM 0 HD2 HIS A2133 -9.848 -2.072 2.949 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.710 -2.888 6.670 1.00 0.30 H new ATOM 0 HE2 HIS A2133 -11.908 -3.129 4.144 1.00 0.31 H new ATOM 1330 N THR A2134 -8.420 2.215 5.213 1.00 0.18 N ATOM 1331 CA THR A2134 -9.184 3.338 5.719 1.00 0.22 C ATOM 1332 C THR A2134 -9.479 4.347 4.611 1.00 0.26 C ATOM 1333 O THR A2134 -10.558 4.923 4.567 1.00 0.34 O ATOM 1334 CB THR A2134 -8.425 4.013 6.873 1.00 0.26 C ATOM 1335 OG1 THR A2134 -8.145 3.041 7.891 1.00 0.27 O ATOM 1336 CG2 THR A2134 -9.224 5.157 7.468 1.00 0.36 C ATOM 0 H THR A2134 -7.465 2.170 5.567 1.00 0.18 H new ATOM 0 HA THR A2134 -10.137 2.964 6.092 1.00 0.22 H new ATOM 0 HB THR A2134 -7.495 4.421 6.478 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.439 2.436 7.581 1.00 0.27 H new ATOM 0 HG21 THR A2134 -8.658 5.612 8.281 1.00 0.36 H new ATOM 0 HG22 THR A2134 -9.418 5.904 6.699 1.00 0.36 H new ATOM 0 HG23 THR A2134 -10.171 4.778 7.853 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.532 4.527 3.700 1.00 0.27 N ATOM 1345 CA ARG A2135 -8.701 5.467 2.595 1.00 0.32 C ATOM 1346 C ARG A2135 -9.804 5.001 1.637 1.00 0.40 C ATOM 1347 O ARG A2135 -10.664 5.780 1.236 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.386 5.630 1.829 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.247 6.191 2.661 1.00 0.28 C ATOM 1350 CD ARG A2135 -6.504 7.637 3.043 1.00 0.33 C ATOM 1351 NE ARG A2135 -6.189 8.577 1.966 1.00 0.85 N ATOM 1352 CZ ARG A2135 -6.919 9.662 1.693 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -8.017 9.916 2.395 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -6.547 10.497 0.729 1.00 1.64 N ATOM 0 H ARG A2135 -7.638 4.036 3.703 1.00 0.27 H new ATOM 0 HA ARG A2135 -8.993 6.429 3.017 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -7.087 4.660 1.432 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -7.555 6.286 0.975 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -6.122 5.591 3.562 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.315 6.121 2.100 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -7.551 7.752 3.324 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -5.909 7.886 3.921 1.00 0.33 H new ATOM 0 HE ARG A2135 -5.366 8.393 1.392 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -8.303 9.283 3.142 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -8.575 10.744 2.187 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -5.700 10.311 0.192 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -7.109 11.324 0.525 1.00 1.64 H new ATOM 1368 N LEU A2136 -9.761 3.725 1.270 1.00 0.41 N ATOM 1369 CA LEU A2136 -10.710 3.145 0.339 1.00 0.51 C ATOM 1370 C LEU A2136 -12.102 2.937 0.938 1.00 0.58 C ATOM 1371 O LEU A2136 -13.056 2.682 0.204 1.00 0.85 O ATOM 1372 CB LEU A2136 -10.162 1.809 -0.146 1.00 0.54 C ATOM 1373 CG LEU A2136 -8.908 1.907 -1.007 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -8.352 0.535 -1.312 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -9.220 2.635 -2.291 1.00 0.75 C ATOM 0 H LEU A2136 -9.063 3.065 1.613 1.00 0.41 H new ATOM 0 HA LEU A2136 -10.830 3.850 -0.483 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -9.943 1.186 0.721 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -10.938 1.299 -0.716 1.00 0.54 H new ATOM 0 HG LEU A2136 -8.154 2.465 -0.451 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -7.458 0.633 -1.928 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -8.097 0.030 -0.380 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -9.099 -0.049 -1.849 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -8.319 2.701 -2.900 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -9.990 2.092 -2.839 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -9.577 3.639 -2.062 1.00 0.75 H new ATOM 1387 N THR A2137 -12.226 3.006 2.251 1.00 0.43 N ATOM 1388 CA THR A2137 -13.504 2.770 2.886 1.00 0.47 C ATOM 1389 C THR A2137 -14.073 4.051 3.481 1.00 0.54 C ATOM 1390 O THR A2137 -15.185 4.471 3.151 1.00 0.68 O ATOM 1391 CB THR A2137 -13.372 1.684 3.961 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.373 2.051 4.924 1.00 0.39 O ATOM 1393 CG2 THR A2137 -12.997 0.354 3.324 1.00 0.42 C ATOM 0 H THR A2137 -11.462 3.222 2.892 1.00 0.43 H new ATOM 0 HA THR A2137 -14.201 2.423 2.123 1.00 0.47 H new ATOM 0 HB THR A2137 -14.333 1.583 4.465 1.00 0.43 H new ATOM 0 HG1 THR A2137 -11.489 2.029 4.502 1.00 0.39 H new ATOM 0 HG21 THR A2137 -12.907 -0.408 4.098 1.00 0.42 H new ATOM 0 HG22 THR A2137 -13.770 0.060 2.614 1.00 0.42 H new ATOM 0 HG23 THR A2137 -12.045 0.456 2.802 1.00 0.42 H new ATOM 1401 N GLN A2138 -13.296 4.669 4.341 1.00 0.58 N ATOM 1402 CA GLN A2138 -13.675 5.916 4.970 1.00 0.69 C ATOM 1403 C GLN A2138 -13.301 7.095 4.072 1.00 0.88 C ATOM 1404 O GLN A2138 -12.266 7.082 3.407 1.00 1.05 O ATOM 1405 CB GLN A2138 -13.017 6.023 6.349 1.00 1.02 C ATOM 1406 CG GLN A2138 -12.265 7.312 6.542 1.00 0.66 C ATOM 1407 CD GLN A2138 -12.273 7.805 7.973 1.00 1.28 C ATOM 1408 OE1 GLN A2138 -11.256 7.448 8.734 1.00 1.87 O flip ATOM 1409 NE2 GLN A2138 -13.181 8.525 8.386 1.00 1.96 N flip ATOM 0 H GLN A2138 -12.380 4.321 4.626 1.00 0.58 H new ATOM 0 HA GLN A2138 -14.756 5.940 5.111 1.00 0.69 H new ATOM 0 HB2 GLN A2138 -13.784 5.937 7.119 1.00 1.02 H new ATOM 0 HB3 GLN A2138 -12.333 5.185 6.485 1.00 1.02 H new ATOM 0 HG2 GLN A2138 -11.233 7.174 6.219 1.00 0.66 H new ATOM 0 HG3 GLN A2138 -12.700 8.077 5.900 1.00 0.66 H new ATOM 0 HE21 GLN A2138 -13.951 8.780 7.768 1.00 1.96 H new ATOM 0 HE22 GLN A2138 -13.164 8.867 9.347 1.00 1.96 H new ATOM 1418 N SER A2139 -14.164 8.098 4.031 1.00 1.14 N ATOM 1419 CA SER A2139 -13.927 9.274 3.212 1.00 1.51 C ATOM 1420 C SER A2139 -14.178 10.546 4.015 1.00 1.92 C ATOM 1421 O SER A2139 -14.881 10.522 5.028 1.00 2.53 O ATOM 1422 CB SER A2139 -14.824 9.237 1.983 1.00 2.30 C ATOM 1423 OG SER A2139 -14.771 7.963 1.358 1.00 3.10 O ATOM 0 H SER A2139 -15.037 8.120 4.558 1.00 1.14 H new ATOM 0 HA SER A2139 -12.885 9.274 2.891 1.00 1.51 H new ATOM 0 HB2 SER A2139 -15.851 9.464 2.270 1.00 2.30 H new ATOM 0 HB3 SER A2139 -14.513 10.007 1.277 1.00 2.30 H new ATOM 0 HG SER A2139 -15.356 7.960 0.571 1.00 3.10 H new ATOM 1429 N HIS A2140 -13.585 11.645 3.577 1.00 2.46 N ATOM 1430 CA HIS A2140 -13.766 12.926 4.236 1.00 3.43 C ATOM 1431 C HIS A2140 -14.279 13.952 3.244 1.00 3.95 C ATOM 1432 O HIS A2140 -15.504 14.167 3.194 1.00 4.42 O ATOM 1433 CB HIS A2140 -12.457 13.407 4.859 1.00 4.34 C ATOM 1434 CG HIS A2140 -11.957 12.529 5.955 1.00 5.24 C ATOM 1435 ND1 HIS A2140 -10.786 11.808 5.875 1.00 6.03 N ATOM 1436 CD2 HIS A2140 -12.476 12.265 7.166 1.00 5.82 C ATOM 1437 CE1 HIS A2140 -10.611 11.137 6.997 1.00 6.90 C ATOM 1438 NE2 HIS A2140 -11.624 11.397 7.799 1.00 6.81 N ATOM 1439 OXT HIS A2140 -13.459 14.515 2.489 1.00 4.31 O ATOM 0 H HIS A2140 -12.971 11.674 2.763 1.00 2.46 H new ATOM 0 HA HIS A2140 -14.499 12.802 5.033 1.00 3.43 H new ATOM 0 HB2 HIS A2140 -11.696 13.471 4.081 1.00 4.34 H new ATOM 0 HB3 HIS A2140 -12.599 14.415 5.249 1.00 4.34 H new ATOM 0 HD2 HIS A2140 -13.396 12.664 7.567 1.00 5.82 H new ATOM 0 HE1 HIS A2140 -9.779 10.485 7.220 1.00 6.90 H new ATOM 0 HE2 HIS A2140 -11.753 11.015 8.736 1.00 6.81 H new TER 1448 HIS A2140