USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 580 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: A2081 GLN : amide:sc= -3.09! C(o=-1.5!,f=-4.2!) USER MOD Set 1.2: A2084 TYR OH : rot 120:sc= 1.58 USER MOD Set 2.1: A2077 THR OG1 : rot 180:sc= 0.823 USER MOD Set 2.2: A2083 THR OG1 : rot -109:sc= 0.527 USER MOD Set 3.1: A2053 GLN : amide:sc= 0.101 K(o=0.2,f=-0.7) USER MOD Set 3.2: A2091 THR OG1 : rot -159:sc= 0.101 USER MOD Single : A2064 THR OG1 : rot 0:sc= 1.22 USER MOD Single : A2068 THR OG1 : rot -170:sc=0.000357 USER MOD Single : A2073 SER OG : rot 81:sc= -1.05 USER MOD Single : A2074 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.079) USER MOD Single : A2076 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.412) USER MOD Single : A2085 THR OG1 : rot 180:sc= 0 USER MOD Single : A2093 THR OG1 : rot 180:sc= 0 USER MOD Single : A2095 THR OG1 : rot 180:sc=-0.00133 USER MOD Single : A2098 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2099 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2103 LYS NZ :NH3+ -133:sc= 0.0615 (180deg=-0.682) USER MOD Single : A2108 THR OG1 : rot 180:sc= 0 USER MOD Single : A2110 LYS NZ :NH3+ -165:sc= 1.26 (180deg=1.02) USER MOD Single : A2114 LYS NZ :NH3+ -166:sc= 1.19 (180deg=0.889) USER MOD Single : A2115 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A2117 THR OG1 : rot 180:sc= 0 USER MOD Single : A2120 THR OG1 : rot 180:sc= 0 USER MOD Single : A2122 THR OG1 : rot 43:sc= 0.487 USER MOD Single : A2123 TYR OH : rot 48:sc= 1.69 USER MOD Single : A2124 SER OG : rot 180:sc= 0 USER MOD Single : A2128 THR OG1 : rot 180:sc= 0.267 USER MOD Single : A2129 LYS NZ :NH3+ 161:sc= -0.0698 (180deg=-0.369) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A2053 -7.371 5.525 8.138 1.00 4.90 N ATOM 2 CA GLN A2053 -6.329 4.473 8.117 1.00 4.58 C ATOM 3 C GLN A2053 -5.589 4.468 6.784 1.00 3.90 C ATOM 4 O GLN A2053 -5.860 3.634 5.921 1.00 4.20 O ATOM 5 CB GLN A2053 -6.950 3.095 8.371 1.00 5.04 C ATOM 6 CG GLN A2053 -7.527 2.931 9.768 1.00 5.47 C ATOM 7 CD GLN A2053 -8.131 1.559 9.997 1.00 6.21 C ATOM 8 OE1 GLN A2053 -7.700 0.567 9.408 1.00 6.51 O ATOM 9 NE2 GLN A2053 -9.130 1.491 10.858 1.00 6.85 N ATOM 0 HA GLN A2053 -5.616 4.693 8.911 1.00 4.58 H new ATOM 0 HB2 GLN A2053 -7.739 2.922 7.639 1.00 5.04 H new ATOM 0 HB3 GLN A2053 -6.191 2.329 8.209 1.00 5.04 H new ATOM 0 HG2 GLN A2053 -6.741 3.104 10.503 1.00 5.47 H new ATOM 0 HG3 GLN A2053 -8.291 3.691 9.932 1.00 5.47 H new ATOM 0 HE21 GLN A2053 -9.458 2.336 11.326 1.00 6.85 H new ATOM 0 HE22 GLN A2053 -9.573 0.594 11.055 1.00 6.85 H new ATOM 18 N GLY A2054 -4.671 5.420 6.622 1.00 3.41 N ATOM 19 CA GLY A2054 -3.842 5.483 5.428 1.00 3.09 C ATOM 20 C GLY A2054 -4.641 5.641 4.150 1.00 2.21 C ATOM 21 O GLY A2054 -4.306 5.042 3.128 1.00 2.29 O ATOM 0 H GLY A2054 -4.486 6.156 7.304 1.00 3.41 H new ATOM 0 HA2 GLY A2054 -3.148 6.319 5.520 1.00 3.09 H new ATOM 0 HA3 GLY A2054 -3.242 4.576 5.363 1.00 3.09 H new ATOM 25 N GLY A2055 -5.705 6.428 4.201 1.00 1.77 N ATOM 26 CA GLY A2055 -6.519 6.636 3.027 1.00 1.45 C ATOM 27 C GLY A2055 -6.904 8.087 2.858 1.00 1.28 C ATOM 28 O GLY A2055 -6.059 8.977 2.959 1.00 1.66 O ATOM 0 H GLY A2055 -6.017 6.925 5.035 1.00 1.77 H new ATOM 0 HA2 GLY A2055 -5.975 6.299 2.144 1.00 1.45 H new ATOM 0 HA3 GLY A2055 -7.420 6.027 3.098 1.00 1.45 H new ATOM 32 N ASP A2056 -8.179 8.324 2.616 1.00 1.08 N ATOM 33 CA ASP A2056 -8.689 9.675 2.442 1.00 1.00 C ATOM 34 C ASP A2056 -9.699 10.002 3.533 1.00 1.03 C ATOM 35 O ASP A2056 -10.667 9.273 3.742 1.00 1.04 O ATOM 36 CB ASP A2056 -9.331 9.845 1.058 1.00 1.12 C ATOM 37 CG ASP A2056 -8.369 10.400 0.025 1.00 1.80 C ATOM 38 OD1 ASP A2056 -7.421 9.690 -0.367 1.00 2.41 O ATOM 39 OD2 ASP A2056 -8.566 11.551 -0.416 1.00 2.42 O ATOM 0 H ASP A2056 -8.887 7.594 2.535 1.00 1.08 H new ATOM 0 HA ASP A2056 -7.850 10.367 2.517 1.00 1.00 H new ATOM 0 HB2 ASP A2056 -9.706 8.880 0.716 1.00 1.12 H new ATOM 0 HB3 ASP A2056 -10.190 10.510 1.141 1.00 1.12 H new ATOM 44 N PRO A2057 -9.461 11.095 4.270 1.00 1.20 N ATOM 45 CA PRO A2057 -10.372 11.560 5.322 1.00 1.36 C ATOM 46 C PRO A2057 -11.678 12.096 4.746 1.00 1.24 C ATOM 47 O PRO A2057 -12.768 11.691 5.148 1.00 1.34 O ATOM 48 CB PRO A2057 -9.592 12.686 6.001 1.00 1.72 C ATOM 49 CG PRO A2057 -8.614 13.152 4.979 1.00 1.71 C ATOM 50 CD PRO A2057 -8.268 11.952 4.148 1.00 1.41 C ATOM 0 HA PRO A2057 -10.658 10.756 6.000 1.00 1.36 H new ATOM 0 HB2 PRO A2057 -10.255 13.494 6.310 1.00 1.72 H new ATOM 0 HB3 PRO A2057 -9.085 12.329 6.898 1.00 1.72 H new ATOM 0 HG2 PRO A2057 -9.043 13.941 4.362 1.00 1.71 H new ATOM 0 HG3 PRO A2057 -7.724 13.566 5.453 1.00 1.71 H new ATOM 0 HD2 PRO A2057 -8.074 12.224 3.111 1.00 1.41 H new ATOM 0 HD3 PRO A2057 -7.374 11.451 4.519 1.00 1.41 H new ATOM 58 N LEU A2058 -11.548 13.023 3.808 1.00 1.18 N ATOM 59 CA LEU A2058 -12.670 13.597 3.098 1.00 1.17 C ATOM 60 C LEU A2058 -13.357 12.600 2.171 1.00 1.00 C ATOM 61 O LEU A2058 -14.427 12.881 1.630 1.00 1.06 O ATOM 62 CB LEU A2058 -12.201 14.825 2.316 1.00 1.35 C ATOM 63 CG LEU A2058 -10.717 14.874 1.936 1.00 1.71 C ATOM 64 CD1 LEU A2058 -10.305 13.607 1.240 1.00 2.34 C ATOM 65 CD2 LEU A2058 -10.438 16.077 1.054 1.00 2.10 C ATOM 0 H LEU A2058 -10.645 13.399 3.518 1.00 1.18 H new ATOM 0 HA LEU A2058 -13.415 13.889 3.839 1.00 1.17 H new ATOM 0 HB2 LEU A2058 -12.789 14.890 1.400 1.00 1.35 H new ATOM 0 HB3 LEU A2058 -12.431 15.712 2.906 1.00 1.35 H new ATOM 0 HG LEU A2058 -10.131 14.968 2.850 1.00 1.71 H new ATOM 0 HD11 LEU A2058 -9.248 13.662 0.979 1.00 2.34 H new ATOM 0 HD12 LEU A2058 -10.471 12.757 1.902 1.00 2.34 H new ATOM 0 HD13 LEU A2058 -10.897 13.481 0.333 1.00 2.34 H new ATOM 0 HD21 LEU A2058 -9.380 16.099 0.792 1.00 2.10 H new ATOM 0 HD22 LEU A2058 -11.035 16.008 0.145 1.00 2.10 H new ATOM 0 HD23 LEU A2058 -10.698 16.990 1.591 1.00 2.10 H new ATOM 77 N VAL A2059 -12.748 11.442 1.989 1.00 0.86 N ATOM 78 CA VAL A2059 -13.311 10.417 1.125 1.00 0.74 C ATOM 79 C VAL A2059 -13.165 9.058 1.783 1.00 0.66 C ATOM 80 O VAL A2059 -12.184 8.351 1.553 1.00 0.62 O ATOM 81 CB VAL A2059 -12.628 10.373 -0.255 1.00 0.75 C ATOM 82 CG1 VAL A2059 -13.463 9.550 -1.222 1.00 0.80 C ATOM 83 CG2 VAL A2059 -12.395 11.772 -0.798 1.00 0.87 C ATOM 0 H VAL A2059 -11.863 11.187 2.428 1.00 0.86 H new ATOM 0 HA VAL A2059 -14.362 10.666 0.975 1.00 0.74 H new ATOM 0 HB VAL A2059 -11.653 9.899 -0.141 1.00 0.75 H new ATOM 0 HG11 VAL A2059 -12.973 9.524 -2.195 1.00 0.80 H new ATOM 0 HG12 VAL A2059 -13.566 8.534 -0.840 1.00 0.80 H new ATOM 0 HG13 VAL A2059 -14.450 10.001 -1.325 1.00 0.80 H new ATOM 0 HG21 VAL A2059 -11.912 11.708 -1.773 1.00 0.87 H new ATOM 0 HG22 VAL A2059 -13.350 12.287 -0.900 1.00 0.87 H new ATOM 0 HG23 VAL A2059 -11.755 12.327 -0.112 1.00 0.87 H new ATOM 93 N PRO A2060 -14.134 8.685 2.623 1.00 0.71 N ATOM 94 CA PRO A2060 -14.088 7.425 3.360 1.00 0.72 C ATOM 95 C PRO A2060 -13.918 6.230 2.430 1.00 0.59 C ATOM 96 O PRO A2060 -14.624 6.107 1.425 1.00 0.58 O ATOM 97 CB PRO A2060 -15.440 7.365 4.072 1.00 0.87 C ATOM 98 CG PRO A2060 -15.928 8.772 4.115 1.00 1.04 C ATOM 99 CD PRO A2060 -15.353 9.458 2.909 1.00 0.86 C ATOM 0 HA PRO A2060 -13.241 7.384 4.044 1.00 0.72 H new ATOM 0 HB2 PRO A2060 -16.139 6.723 3.535 1.00 0.87 H new ATOM 0 HB3 PRO A2060 -15.337 6.954 5.076 1.00 0.87 H new ATOM 0 HG2 PRO A2060 -17.017 8.806 4.098 1.00 1.04 H new ATOM 0 HG3 PRO A2060 -15.608 9.266 5.032 1.00 1.04 H new ATOM 0 HD2 PRO A2060 -16.046 9.440 2.068 1.00 0.86 H new ATOM 0 HD3 PRO A2060 -15.126 10.505 3.113 1.00 0.86 H new ATOM 107 N ILE A2061 -12.969 5.368 2.763 1.00 0.62 N ATOM 108 CA ILE A2061 -12.688 4.192 1.957 1.00 0.56 C ATOM 109 C ILE A2061 -13.902 3.279 1.932 1.00 0.51 C ATOM 110 O ILE A2061 -14.395 2.861 2.981 1.00 0.57 O ATOM 111 CB ILE A2061 -11.468 3.413 2.496 1.00 0.69 C ATOM 112 CG1 ILE A2061 -10.250 4.339 2.612 1.00 0.77 C ATOM 113 CG2 ILE A2061 -11.154 2.219 1.603 1.00 0.75 C ATOM 114 CD1 ILE A2061 -9.885 5.036 1.320 1.00 0.76 C ATOM 0 H ILE A2061 -12.379 5.463 3.590 1.00 0.62 H new ATOM 0 HA ILE A2061 -12.457 4.529 0.946 1.00 0.56 H new ATOM 0 HB ILE A2061 -11.711 3.038 3.490 1.00 0.69 H new ATOM 0 HG12 ILE A2061 -10.449 5.091 3.375 1.00 0.77 H new ATOM 0 HG13 ILE A2061 -9.394 3.757 2.954 1.00 0.77 H new ATOM 0 HG21 ILE A2061 -10.291 1.684 2.001 1.00 0.75 H new ATOM 0 HG22 ILE A2061 -12.014 1.550 1.574 1.00 0.75 H new ATOM 0 HG23 ILE A2061 -10.932 2.567 0.594 1.00 0.75 H new ATOM 0 HD11 ILE A2061 -9.015 5.672 1.483 1.00 0.76 H new ATOM 0 HD12 ILE A2061 -9.653 4.292 0.558 1.00 0.76 H new ATOM 0 HD13 ILE A2061 -10.724 5.647 0.987 1.00 0.76 H new ATOM 126 N ASP A2062 -14.391 2.991 0.737 1.00 0.45 N ATOM 127 CA ASP A2062 -15.593 2.192 0.594 1.00 0.43 C ATOM 128 C ASP A2062 -15.321 0.750 0.978 1.00 0.43 C ATOM 129 O ASP A2062 -14.327 0.156 0.563 1.00 0.43 O ATOM 130 CB ASP A2062 -16.139 2.262 -0.825 1.00 0.44 C ATOM 131 CG ASP A2062 -17.490 1.595 -0.930 1.00 0.71 C ATOM 132 OD1 ASP A2062 -17.547 0.410 -1.308 1.00 1.42 O ATOM 133 OD2 ASP A2062 -18.504 2.247 -0.604 1.00 1.40 O ATOM 0 H ASP A2062 -13.976 3.297 -0.143 1.00 0.45 H new ATOM 0 HA ASP A2062 -16.346 2.602 1.267 1.00 0.43 H new ATOM 0 HB2 ASP A2062 -16.221 3.304 -1.134 1.00 0.44 H new ATOM 0 HB3 ASP A2062 -15.440 1.781 -1.509 1.00 0.44 H new ATOM 138 N GLU A2063 -16.218 0.185 1.756 1.00 0.47 N ATOM 139 CA GLU A2063 -15.995 -1.117 2.348 1.00 0.52 C ATOM 140 C GLU A2063 -16.484 -2.245 1.444 1.00 0.51 C ATOM 141 O GLU A2063 -16.327 -3.421 1.774 1.00 0.58 O ATOM 142 CB GLU A2063 -16.684 -1.170 3.708 1.00 0.64 C ATOM 143 CG GLU A2063 -16.240 -0.047 4.632 1.00 0.72 C ATOM 144 CD GLU A2063 -16.979 -0.035 5.952 1.00 0.87 C ATOM 145 OE1 GLU A2063 -18.101 0.509 6.006 1.00 1.55 O ATOM 146 OE2 GLU A2063 -16.430 -0.543 6.951 1.00 1.30 O ATOM 0 H GLU A2063 -17.114 0.609 1.995 1.00 0.47 H new ATOM 0 HA GLU A2063 -14.922 -1.262 2.475 1.00 0.52 H new ATOM 0 HB2 GLU A2063 -17.763 -1.114 3.567 1.00 0.64 H new ATOM 0 HB3 GLU A2063 -16.474 -2.129 4.181 1.00 0.64 H new ATOM 0 HG2 GLU A2063 -15.171 -0.143 4.822 1.00 0.72 H new ATOM 0 HG3 GLU A2063 -16.390 0.909 4.130 1.00 0.72 H new ATOM 153 N THR A2064 -17.065 -1.895 0.302 1.00 0.49 N ATOM 154 CA THR A2064 -17.556 -2.904 -0.625 1.00 0.54 C ATOM 155 C THR A2064 -16.771 -2.900 -1.940 1.00 0.50 C ATOM 156 O THR A2064 -17.009 -3.732 -2.816 1.00 0.59 O ATOM 157 CB THR A2064 -19.063 -2.730 -0.909 1.00 0.60 C ATOM 158 OG1 THR A2064 -19.337 -1.427 -1.443 1.00 0.58 O ATOM 159 CG2 THR A2064 -19.875 -2.938 0.361 1.00 0.69 C ATOM 0 H THR A2064 -17.206 -0.931 -0.001 1.00 0.49 H new ATOM 0 HA THR A2064 -17.405 -3.869 -0.141 1.00 0.54 H new ATOM 0 HB THR A2064 -19.350 -3.481 -1.645 1.00 0.60 H new ATOM 0 HG1 THR A2064 -18.501 -0.921 -1.516 1.00 0.58 H new ATOM 0 HG21 THR A2064 -20.935 -2.811 0.140 1.00 0.69 H new ATOM 0 HG22 THR A2064 -19.702 -3.944 0.743 1.00 0.69 H new ATOM 0 HG23 THR A2064 -19.571 -2.208 1.111 1.00 0.69 H new ATOM 167 N VAL A2065 -15.824 -1.977 -2.075 1.00 0.44 N ATOM 168 CA VAL A2065 -14.984 -1.930 -3.271 1.00 0.43 C ATOM 169 C VAL A2065 -13.852 -2.942 -3.161 1.00 0.37 C ATOM 170 O VAL A2065 -13.811 -3.734 -2.217 1.00 0.46 O ATOM 171 CB VAL A2065 -14.388 -0.530 -3.515 1.00 0.48 C ATOM 172 CG1 VAL A2065 -15.487 0.483 -3.783 1.00 0.82 C ATOM 173 CG2 VAL A2065 -13.524 -0.099 -2.342 1.00 0.57 C ATOM 0 H VAL A2065 -15.619 -1.258 -1.381 1.00 0.44 H new ATOM 0 HA VAL A2065 -15.626 -2.175 -4.117 1.00 0.43 H new ATOM 0 HB VAL A2065 -13.753 -0.580 -4.399 1.00 0.48 H new ATOM 0 HG11 VAL A2065 -15.044 1.464 -3.952 1.00 0.82 H new ATOM 0 HG12 VAL A2065 -16.052 0.182 -4.666 1.00 0.82 H new ATOM 0 HG13 VAL A2065 -16.156 0.530 -2.923 1.00 0.82 H new ATOM 0 HG21 VAL A2065 -13.114 0.892 -2.537 1.00 0.57 H new ATOM 0 HG22 VAL A2065 -14.129 -0.070 -1.436 1.00 0.57 H new ATOM 0 HG23 VAL A2065 -12.708 -0.810 -2.211 1.00 0.57 H new ATOM 183 N GLU A2066 -12.947 -2.928 -4.132 1.00 0.34 N ATOM 184 CA GLU A2066 -11.825 -3.852 -4.136 1.00 0.32 C ATOM 185 C GLU A2066 -10.565 -3.193 -3.580 1.00 0.26 C ATOM 186 O GLU A2066 -10.002 -2.272 -4.186 1.00 0.28 O ATOM 187 CB GLU A2066 -11.554 -4.372 -5.549 1.00 0.40 C ATOM 188 CG GLU A2066 -10.369 -5.318 -5.635 1.00 0.43 C ATOM 189 CD GLU A2066 -10.051 -5.717 -7.058 1.00 0.61 C ATOM 190 OE1 GLU A2066 -9.125 -5.126 -7.657 1.00 0.68 O ATOM 191 OE2 GLU A2066 -10.728 -6.620 -7.592 1.00 0.78 O ATOM 0 H GLU A2066 -12.970 -2.287 -4.925 1.00 0.34 H new ATOM 0 HA GLU A2066 -12.091 -4.691 -3.494 1.00 0.32 H new ATOM 0 HB2 GLU A2066 -12.444 -4.884 -5.915 1.00 0.40 H new ATOM 0 HB3 GLU A2066 -11.379 -3.524 -6.211 1.00 0.40 H new ATOM 0 HG2 GLU A2066 -9.495 -4.842 -5.190 1.00 0.43 H new ATOM 0 HG3 GLU A2066 -10.578 -6.212 -5.048 1.00 0.43 H new ATOM 198 N PRO A2067 -10.152 -3.615 -2.380 1.00 0.27 N ATOM 199 CA PRO A2067 -8.843 -3.328 -1.847 1.00 0.30 C ATOM 200 C PRO A2067 -7.903 -4.523 -2.035 1.00 0.28 C ATOM 201 O PRO A2067 -8.094 -5.581 -1.434 1.00 0.34 O ATOM 202 CB PRO A2067 -9.150 -3.075 -0.369 1.00 0.41 C ATOM 203 CG PRO A2067 -10.424 -3.824 -0.078 1.00 0.45 C ATOM 204 CD PRO A2067 -10.952 -4.348 -1.394 1.00 0.37 C ATOM 0 HA PRO A2067 -8.336 -2.494 -2.332 1.00 0.30 H new ATOM 0 HB2 PRO A2067 -8.336 -3.427 0.265 1.00 0.41 H new ATOM 0 HB3 PRO A2067 -9.269 -2.010 -0.172 1.00 0.41 H new ATOM 0 HG2 PRO A2067 -10.237 -4.645 0.614 1.00 0.45 H new ATOM 0 HG3 PRO A2067 -11.155 -3.168 0.395 1.00 0.45 H new ATOM 0 HD2 PRO A2067 -10.816 -5.426 -1.484 1.00 0.37 H new ATOM 0 HD3 PRO A2067 -12.018 -4.150 -1.510 1.00 0.37 H new ATOM 212 N THR A2068 -6.915 -4.365 -2.898 1.00 0.29 N ATOM 213 CA THR A2068 -5.991 -5.441 -3.232 1.00 0.32 C ATOM 214 C THR A2068 -4.593 -4.893 -3.484 1.00 0.39 C ATOM 215 O THR A2068 -4.339 -3.703 -3.328 1.00 0.70 O ATOM 216 CB THR A2068 -6.455 -6.190 -4.502 1.00 0.34 C ATOM 217 OG1 THR A2068 -6.882 -5.250 -5.497 1.00 0.38 O ATOM 218 CG2 THR A2068 -7.581 -7.165 -4.197 1.00 0.36 C ATOM 0 H THR A2068 -6.729 -3.490 -3.388 1.00 0.29 H new ATOM 0 HA THR A2068 -5.973 -6.127 -2.385 1.00 0.32 H new ATOM 0 HB THR A2068 -5.608 -6.763 -4.879 1.00 0.34 H new ATOM 0 HG1 THR A2068 -7.320 -5.728 -6.232 1.00 0.38 H new ATOM 0 HG21 THR A2068 -7.881 -7.673 -5.114 1.00 0.36 H new ATOM 0 HG22 THR A2068 -7.238 -7.901 -3.470 1.00 0.36 H new ATOM 0 HG23 THR A2068 -8.433 -6.621 -3.788 1.00 0.36 H new ATOM 226 N PHE A2069 -3.671 -5.770 -3.816 1.00 0.25 N ATOM 227 CA PHE A2069 -2.380 -5.348 -4.320 1.00 0.26 C ATOM 228 C PHE A2069 -2.358 -5.539 -5.817 1.00 0.27 C ATOM 229 O PHE A2069 -3.001 -6.451 -6.337 1.00 0.31 O ATOM 230 CB PHE A2069 -1.262 -6.129 -3.648 1.00 0.31 C ATOM 231 CG PHE A2069 -1.180 -5.841 -2.185 1.00 0.28 C ATOM 232 CD1 PHE A2069 -2.125 -6.355 -1.316 1.00 1.14 C ATOM 233 CD2 PHE A2069 -0.176 -5.040 -1.680 1.00 1.12 C ATOM 234 CE1 PHE A2069 -2.074 -6.075 0.027 1.00 1.16 C ATOM 235 CE2 PHE A2069 -0.116 -4.761 -0.334 1.00 1.15 C ATOM 236 CZ PHE A2069 -1.071 -5.279 0.519 1.00 0.42 C ATOM 0 H PHE A2069 -3.790 -6.781 -3.746 1.00 0.25 H new ATOM 0 HA PHE A2069 -2.220 -4.294 -4.092 1.00 0.26 H new ATOM 0 HB2 PHE A2069 -1.424 -7.196 -3.799 1.00 0.31 H new ATOM 0 HB3 PHE A2069 -0.312 -5.881 -4.120 1.00 0.31 H new ATOM 0 HD1 PHE A2069 -2.914 -6.985 -1.699 1.00 1.14 H new ATOM 0 HD2 PHE A2069 0.568 -4.629 -2.346 1.00 1.12 H new ATOM 0 HE1 PHE A2069 -2.821 -6.480 0.694 1.00 1.16 H new ATOM 0 HE2 PHE A2069 0.676 -4.138 0.055 1.00 1.15 H new ATOM 0 HZ PHE A2069 -1.028 -5.057 1.575 1.00 0.42 H new ATOM 246 N GLU A2070 -1.617 -4.669 -6.499 1.00 0.30 N ATOM 247 CA GLU A2070 -1.616 -4.605 -7.958 1.00 0.36 C ATOM 248 C GLU A2070 -1.163 -5.927 -8.579 1.00 0.36 C ATOM 249 O GLU A2070 -1.507 -6.237 -9.721 1.00 0.44 O ATOM 250 CB GLU A2070 -0.708 -3.466 -8.422 1.00 0.52 C ATOM 251 CG GLU A2070 -0.740 -3.230 -9.921 1.00 0.66 C ATOM 252 CD GLU A2070 0.216 -2.145 -10.357 1.00 1.36 C ATOM 253 OE1 GLU A2070 1.442 -2.330 -10.205 1.00 2.09 O ATOM 254 OE2 GLU A2070 -0.252 -1.107 -10.866 1.00 2.01 O ATOM 0 H GLU A2070 -1.000 -3.988 -6.055 1.00 0.30 H new ATOM 0 HA GLU A2070 -2.637 -4.418 -8.290 1.00 0.36 H new ATOM 0 HB2 GLU A2070 -1.002 -2.548 -7.913 1.00 0.52 H new ATOM 0 HB3 GLU A2070 0.316 -3.684 -8.120 1.00 0.52 H new ATOM 0 HG2 GLU A2070 -0.491 -4.157 -10.437 1.00 0.66 H new ATOM 0 HG3 GLU A2070 -1.752 -2.960 -10.221 1.00 0.66 H new ATOM 261 N ASP A2071 -0.401 -6.701 -7.821 1.00 0.40 N ATOM 262 CA ASP A2071 0.067 -8.005 -8.277 1.00 0.53 C ATOM 263 C ASP A2071 -0.971 -9.089 -7.984 1.00 0.50 C ATOM 264 O ASP A2071 -0.790 -10.249 -8.354 1.00 0.62 O ATOM 265 CB ASP A2071 1.396 -8.361 -7.608 1.00 0.69 C ATOM 266 CG ASP A2071 1.283 -8.425 -6.100 1.00 1.42 C ATOM 267 OD1 ASP A2071 1.247 -7.353 -5.462 1.00 2.06 O ATOM 268 OD2 ASP A2071 1.225 -9.541 -5.548 1.00 2.15 O ATOM 0 H ASP A2071 -0.091 -6.449 -6.882 1.00 0.40 H new ATOM 0 HA ASP A2071 0.217 -7.951 -9.355 1.00 0.53 H new ATOM 0 HB2 ASP A2071 1.743 -9.323 -7.985 1.00 0.69 H new ATOM 0 HB3 ASP A2071 2.148 -7.621 -7.882 1.00 0.69 H new ATOM 273 N GLY A2072 -2.057 -8.705 -7.323 1.00 0.43 N ATOM 274 CA GLY A2072 -3.123 -9.641 -7.024 1.00 0.48 C ATOM 275 C GLY A2072 -2.946 -10.336 -5.688 1.00 0.48 C ATOM 276 O GLY A2072 -3.389 -11.473 -5.512 1.00 0.63 O ATOM 0 H GLY A2072 -2.218 -7.755 -6.987 1.00 0.43 H new ATOM 0 HA2 GLY A2072 -4.076 -9.111 -7.028 1.00 0.48 H new ATOM 0 HA3 GLY A2072 -3.172 -10.391 -7.813 1.00 0.48 H new ATOM 280 N SER A2073 -2.310 -9.664 -4.739 1.00 0.37 N ATOM 281 CA SER A2073 -2.063 -10.263 -3.428 1.00 0.38 C ATOM 282 C SER A2073 -2.903 -9.589 -2.343 1.00 0.35 C ATOM 283 O SER A2073 -3.675 -8.666 -2.627 1.00 0.38 O ATOM 284 CB SER A2073 -0.573 -10.193 -3.085 1.00 0.46 C ATOM 285 OG SER A2073 -0.070 -8.881 -3.237 1.00 0.89 O ATOM 0 H SER A2073 -1.957 -8.713 -4.847 1.00 0.37 H new ATOM 0 HA SER A2073 -2.361 -11.311 -3.472 1.00 0.38 H new ATOM 0 HB2 SER A2073 -0.418 -10.527 -2.059 1.00 0.46 H new ATOM 0 HB3 SER A2073 -0.017 -10.874 -3.729 1.00 0.46 H new ATOM 0 HG SER A2073 -0.294 -8.351 -2.444 1.00 0.89 H new ATOM 291 N LYS A2074 -2.770 -10.070 -1.103 1.00 0.35 N ATOM 292 CA LYS A2074 -3.532 -9.530 0.021 1.00 0.34 C ATOM 293 C LYS A2074 -2.603 -9.084 1.156 1.00 0.34 C ATOM 294 O LYS A2074 -3.051 -8.531 2.161 1.00 0.42 O ATOM 295 CB LYS A2074 -4.549 -10.560 0.525 1.00 0.39 C ATOM 296 CG LYS A2074 -5.604 -10.940 -0.512 1.00 0.53 C ATOM 297 CD LYS A2074 -6.492 -9.756 -0.885 1.00 0.43 C ATOM 298 CE LYS A2074 -7.471 -10.108 -1.999 1.00 0.55 C ATOM 299 NZ LYS A2074 -8.392 -11.209 -1.610 1.00 1.13 N ATOM 0 H LYS A2074 -2.140 -10.833 -0.855 1.00 0.35 H new ATOM 0 HA LYS A2074 -4.075 -8.652 -0.330 1.00 0.34 H new ATOM 0 HB2 LYS A2074 -4.018 -11.460 0.836 1.00 0.39 H new ATOM 0 HB3 LYS A2074 -5.048 -10.162 1.409 1.00 0.39 H new ATOM 0 HG2 LYS A2074 -5.112 -11.320 -1.407 1.00 0.53 H new ATOM 0 HG3 LYS A2074 -6.222 -11.748 -0.121 1.00 0.53 H new ATOM 0 HD2 LYS A2074 -7.046 -9.426 -0.006 1.00 0.43 H new ATOM 0 HD3 LYS A2074 -5.868 -8.920 -1.201 1.00 0.43 H new ATOM 0 HE2 LYS A2074 -8.054 -9.225 -2.261 1.00 0.55 H new ATOM 0 HE3 LYS A2074 -6.915 -10.399 -2.890 1.00 0.55 H new ATOM 0 HZ1 LYS A2074 -9.114 -11.335 -2.348 1.00 1.13 H new ATOM 0 HZ2 LYS A2074 -7.852 -12.091 -1.500 1.00 1.13 H new ATOM 0 HZ3 LYS A2074 -8.855 -10.972 -0.710 1.00 1.13 H new ATOM 313 N GLU A2075 -1.314 -9.342 0.989 1.00 0.33 N ATOM 314 CA GLU A2075 -0.283 -8.791 1.861 1.00 0.32 C ATOM 315 C GLU A2075 1.056 -8.836 1.151 1.00 0.34 C ATOM 316 O GLU A2075 1.426 -9.852 0.561 1.00 0.47 O ATOM 317 CB GLU A2075 -0.179 -9.540 3.202 1.00 0.36 C ATOM 318 CG GLU A2075 1.145 -9.323 3.916 1.00 0.91 C ATOM 319 CD GLU A2075 1.404 -10.336 5.009 1.00 1.40 C ATOM 320 OE1 GLU A2075 2.080 -11.349 4.731 1.00 2.08 O ATOM 321 OE2 GLU A2075 0.950 -10.121 6.150 1.00 1.88 O ATOM 0 H GLU A2075 -0.952 -9.939 0.246 1.00 0.33 H new ATOM 0 HA GLU A2075 -0.564 -7.762 2.086 1.00 0.32 H new ATOM 0 HB2 GLU A2075 -0.991 -9.217 3.853 1.00 0.36 H new ATOM 0 HB3 GLU A2075 -0.317 -10.607 3.025 1.00 0.36 H new ATOM 0 HG2 GLU A2075 1.955 -9.368 3.188 1.00 0.91 H new ATOM 0 HG3 GLU A2075 1.159 -8.322 4.346 1.00 0.91 H new ATOM 328 N LYS A2076 1.765 -7.730 1.189 1.00 0.35 N ATOM 329 CA LYS A2076 3.108 -7.685 0.661 1.00 0.38 C ATOM 330 C LYS A2076 4.088 -7.306 1.750 1.00 0.37 C ATOM 331 O LYS A2076 4.191 -6.140 2.126 1.00 0.37 O ATOM 332 CB LYS A2076 3.208 -6.710 -0.515 1.00 0.44 C ATOM 333 CG LYS A2076 2.875 -7.339 -1.862 1.00 0.88 C ATOM 334 CD LYS A2076 3.776 -8.531 -2.166 1.00 0.91 C ATOM 335 CE LYS A2076 5.248 -8.142 -2.232 1.00 0.88 C ATOM 336 NZ LYS A2076 5.641 -7.669 -3.586 1.00 1.48 N ATOM 0 H LYS A2076 1.432 -6.849 1.581 1.00 0.35 H new ATOM 0 HA LYS A2076 3.360 -8.679 0.293 1.00 0.38 H new ATOM 0 HB2 LYS A2076 2.534 -5.872 -0.339 1.00 0.44 H new ATOM 0 HB3 LYS A2076 4.219 -6.304 -0.554 1.00 0.44 H new ATOM 0 HG2 LYS A2076 1.833 -7.660 -1.866 1.00 0.88 H new ATOM 0 HG3 LYS A2076 2.982 -6.592 -2.649 1.00 0.88 H new ATOM 0 HD2 LYS A2076 3.638 -9.293 -1.399 1.00 0.91 H new ATOM 0 HD3 LYS A2076 3.477 -8.977 -3.115 1.00 0.91 H new ATOM 0 HE2 LYS A2076 5.448 -7.358 -1.502 1.00 0.88 H new ATOM 0 HE3 LYS A2076 5.862 -8.999 -1.955 1.00 0.88 H new ATOM 0 HZ1 LYS A2076 6.527 -8.132 -3.872 1.00 1.48 H new ATOM 0 HZ2 LYS A2076 4.891 -7.905 -4.267 1.00 1.48 H new ATOM 0 HZ3 LYS A2076 5.780 -6.638 -3.567 1.00 1.48 H new ATOM 350 N THR A2077 4.773 -8.304 2.283 1.00 0.45 N ATOM 351 CA THR A2077 5.832 -8.055 3.235 1.00 0.47 C ATOM 352 C THR A2077 7.175 -8.072 2.540 1.00 0.52 C ATOM 353 O THR A2077 7.630 -9.111 2.061 1.00 0.63 O ATOM 354 CB THR A2077 5.860 -9.078 4.383 1.00 0.50 C ATOM 355 OG1 THR A2077 4.604 -9.084 5.076 1.00 0.48 O ATOM 356 CG2 THR A2077 6.985 -8.748 5.358 1.00 0.55 C ATOM 0 H THR A2077 4.613 -9.289 2.071 1.00 0.45 H new ATOM 0 HA THR A2077 5.631 -7.074 3.665 1.00 0.47 H new ATOM 0 HB THR A2077 6.036 -10.067 3.959 1.00 0.50 H new ATOM 0 HG1 THR A2077 4.635 -9.740 5.803 1.00 0.48 H new ATOM 0 HG21 THR A2077 6.993 -9.480 6.165 1.00 0.55 H new ATOM 0 HG22 THR A2077 7.940 -8.775 4.834 1.00 0.55 H new ATOM 0 HG23 THR A2077 6.827 -7.752 5.773 1.00 0.55 H new ATOM 364 N ILE A2078 7.790 -6.917 2.470 1.00 0.51 N ATOM 365 CA ILE A2078 9.118 -6.800 1.922 1.00 0.60 C ATOM 366 C ILE A2078 10.085 -6.460 3.050 1.00 0.60 C ATOM 367 O ILE A2078 9.937 -5.429 3.704 1.00 0.53 O ATOM 368 CB ILE A2078 9.159 -5.734 0.810 1.00 0.67 C ATOM 369 CG1 ILE A2078 8.253 -6.161 -0.351 1.00 0.75 C ATOM 370 CG2 ILE A2078 10.585 -5.520 0.328 1.00 0.80 C ATOM 371 CD1 ILE A2078 8.089 -5.112 -1.428 1.00 1.62 C ATOM 0 H ILE A2078 7.387 -6.036 2.789 1.00 0.51 H new ATOM 0 HA ILE A2078 9.414 -7.747 1.469 1.00 0.60 H new ATOM 0 HB ILE A2078 8.794 -4.789 1.212 1.00 0.67 H new ATOM 0 HG12 ILE A2078 8.660 -7.067 -0.801 1.00 0.75 H new ATOM 0 HG13 ILE A2078 7.270 -6.416 0.045 1.00 0.75 H new ATOM 0 HG21 ILE A2078 10.594 -4.764 -0.457 1.00 0.80 H new ATOM 0 HG22 ILE A2078 11.204 -5.186 1.161 1.00 0.80 H new ATOM 0 HG23 ILE A2078 10.980 -6.456 -0.066 1.00 0.80 H new ATOM 0 HD11 ILE A2078 7.434 -5.494 -2.211 1.00 1.62 H new ATOM 0 HD12 ILE A2078 7.651 -4.212 -0.996 1.00 1.62 H new ATOM 0 HD13 ILE A2078 9.063 -4.873 -1.854 1.00 1.62 H new ATOM 383 N PRO A2079 11.053 -7.359 3.317 1.00 0.72 N ATOM 384 CA PRO A2079 11.988 -7.234 4.445 1.00 0.79 C ATOM 385 C PRO A2079 12.593 -5.839 4.585 1.00 0.74 C ATOM 386 O PRO A2079 13.356 -5.390 3.727 1.00 0.76 O ATOM 387 CB PRO A2079 13.074 -8.253 4.108 1.00 0.94 C ATOM 388 CG PRO A2079 12.370 -9.300 3.319 1.00 0.98 C ATOM 389 CD PRO A2079 11.311 -8.582 2.528 1.00 0.85 C ATOM 0 HA PRO A2079 11.487 -7.405 5.398 1.00 0.79 H new ATOM 0 HB2 PRO A2079 13.881 -7.798 3.533 1.00 0.94 H new ATOM 0 HB3 PRO A2079 13.521 -8.670 5.010 1.00 0.94 H new ATOM 0 HG2 PRO A2079 13.062 -9.823 2.659 1.00 0.98 H new ATOM 0 HG3 PRO A2079 11.926 -10.050 3.974 1.00 0.98 H new ATOM 0 HD2 PRO A2079 11.655 -8.344 1.522 1.00 0.85 H new ATOM 0 HD3 PRO A2079 10.411 -9.187 2.422 1.00 0.85 H new ATOM 397 N GLY A2080 12.225 -5.155 5.663 1.00 0.73 N ATOM 398 CA GLY A2080 12.771 -3.841 5.941 1.00 0.76 C ATOM 399 C GLY A2080 11.984 -2.727 5.282 1.00 0.70 C ATOM 400 O GLY A2080 12.169 -1.554 5.602 1.00 0.94 O ATOM 0 H GLY A2080 11.553 -5.491 6.353 1.00 0.73 H new ATOM 0 HA2 GLY A2080 12.787 -3.680 7.019 1.00 0.76 H new ATOM 0 HA3 GLY A2080 13.805 -3.802 5.597 1.00 0.76 H new ATOM 404 N GLN A2081 11.083 -3.094 4.388 1.00 0.54 N ATOM 405 CA GLN A2081 10.341 -2.122 3.602 1.00 0.53 C ATOM 406 C GLN A2081 8.940 -1.936 4.176 1.00 0.50 C ATOM 407 O GLN A2081 8.360 -0.850 4.107 1.00 0.57 O ATOM 408 CB GLN A2081 10.306 -2.588 2.143 1.00 0.57 C ATOM 409 CG GLN A2081 9.512 -1.703 1.197 1.00 0.95 C ATOM 410 CD GLN A2081 8.148 -2.274 0.865 1.00 1.09 C ATOM 411 OE1 GLN A2081 7.526 -2.951 1.679 1.00 2.02 O ATOM 412 NE2 GLN A2081 7.689 -2.035 -0.352 1.00 0.87 N ATOM 0 H GLN A2081 10.846 -4.065 4.187 1.00 0.54 H new ATOM 0 HA GLN A2081 10.833 -1.150 3.642 1.00 0.53 H new ATOM 0 HB2 GLN A2081 11.330 -2.657 1.776 1.00 0.57 H new ATOM 0 HB3 GLN A2081 9.888 -3.594 2.110 1.00 0.57 H new ATOM 0 HG2 GLN A2081 9.389 -0.717 1.646 1.00 0.95 H new ATOM 0 HG3 GLN A2081 10.077 -1.565 0.275 1.00 0.95 H new ATOM 0 HE21 GLN A2081 8.235 -1.468 -1.001 1.00 0.87 H new ATOM 0 HE22 GLN A2081 6.789 -2.418 -0.642 1.00 0.87 H new ATOM 421 N GLY A2082 8.402 -3.001 4.747 1.00 0.47 N ATOM 422 CA GLY A2082 7.144 -2.898 5.450 1.00 0.50 C ATOM 423 C GLY A2082 6.156 -3.971 5.057 1.00 0.40 C ATOM 424 O GLY A2082 6.500 -4.929 4.358 1.00 0.45 O ATOM 0 H GLY A2082 8.814 -3.934 4.736 1.00 0.47 H new ATOM 0 HA2 GLY A2082 7.328 -2.957 6.523 1.00 0.50 H new ATOM 0 HA3 GLY A2082 6.705 -1.919 5.256 1.00 0.50 H new ATOM 428 N THR A2083 4.929 -3.805 5.521 1.00 0.33 N ATOM 429 CA THR A2083 3.846 -4.714 5.197 1.00 0.29 C ATOM 430 C THR A2083 2.554 -3.934 5.066 1.00 0.25 C ATOM 431 O THR A2083 2.269 -3.030 5.855 1.00 0.30 O ATOM 432 CB THR A2083 3.652 -5.825 6.259 1.00 0.36 C ATOM 433 OG1 THR A2083 4.856 -6.590 6.398 1.00 0.49 O ATOM 434 CG2 THR A2083 2.497 -6.759 5.879 1.00 0.36 C ATOM 0 H THR A2083 4.657 -3.036 6.133 1.00 0.33 H new ATOM 0 HA THR A2083 4.111 -5.199 4.257 1.00 0.29 H new ATOM 0 HB THR A2083 3.412 -5.343 7.207 1.00 0.36 H new ATOM 0 HG1 THR A2083 4.721 -7.485 6.021 1.00 0.49 H new ATOM 0 HG21 THR A2083 2.385 -7.528 6.643 1.00 0.36 H new ATOM 0 HG22 THR A2083 1.574 -6.184 5.804 1.00 0.36 H new ATOM 0 HG23 THR A2083 2.710 -7.229 4.919 1.00 0.36 H new ATOM 442 N TYR A2084 1.798 -4.260 4.051 1.00 0.28 N ATOM 443 CA TYR A2084 0.488 -3.689 3.874 1.00 0.34 C ATOM 444 C TYR A2084 -0.517 -4.824 3.940 1.00 0.32 C ATOM 445 O TYR A2084 -0.353 -5.835 3.259 1.00 0.29 O ATOM 446 CB TYR A2084 0.413 -2.953 2.534 1.00 0.43 C ATOM 447 CG TYR A2084 1.734 -2.343 2.114 1.00 0.44 C ATOM 448 CD1 TYR A2084 2.627 -3.062 1.326 1.00 1.13 C ATOM 449 CD2 TYR A2084 2.097 -1.063 2.513 1.00 1.38 C ATOM 450 CE1 TYR A2084 3.837 -2.525 0.950 1.00 1.15 C ATOM 451 CE2 TYR A2084 3.309 -0.519 2.136 1.00 1.44 C ATOM 452 CZ TYR A2084 4.174 -1.255 1.355 1.00 0.62 C ATOM 453 OH TYR A2084 5.380 -0.725 0.983 1.00 0.76 O ATOM 0 H TYR A2084 2.070 -4.925 3.327 1.00 0.28 H new ATOM 0 HA TYR A2084 0.270 -2.959 4.654 1.00 0.34 H new ATOM 0 HB2 TYR A2084 0.080 -3.648 1.763 1.00 0.43 H new ATOM 0 HB3 TYR A2084 -0.338 -2.166 2.600 1.00 0.43 H new ATOM 0 HD1 TYR A2084 2.366 -4.059 1.004 1.00 1.13 H new ATOM 0 HD2 TYR A2084 1.422 -0.485 3.127 1.00 1.38 H new ATOM 0 HE1 TYR A2084 4.519 -3.099 0.340 1.00 1.15 H new ATOM 0 HE2 TYR A2084 3.578 0.478 2.452 1.00 1.44 H new ATOM 0 HH TYR A2084 5.232 0.088 0.456 1.00 0.76 H new ATOM 463 N THR A2085 -1.511 -4.695 4.793 1.00 0.39 N ATOM 464 CA THR A2085 -2.460 -5.773 4.997 1.00 0.40 C ATOM 465 C THR A2085 -3.876 -5.343 4.669 1.00 0.41 C ATOM 466 O THR A2085 -4.356 -4.320 5.163 1.00 0.49 O ATOM 467 CB THR A2085 -2.403 -6.297 6.444 1.00 0.46 C ATOM 468 OG1 THR A2085 -2.367 -5.195 7.367 1.00 0.63 O ATOM 469 CG2 THR A2085 -1.186 -7.186 6.653 1.00 0.57 C ATOM 0 H THR A2085 -1.684 -3.861 5.354 1.00 0.39 H new ATOM 0 HA THR A2085 -2.176 -6.575 4.316 1.00 0.40 H new ATOM 0 HB THR A2085 -3.299 -6.891 6.626 1.00 0.46 H new ATOM 0 HG1 THR A2085 -2.333 -5.538 8.284 1.00 0.63 H new ATOM 0 HG21 THR A2085 -1.169 -7.543 7.683 1.00 0.57 H new ATOM 0 HG22 THR A2085 -1.237 -8.037 5.974 1.00 0.57 H new ATOM 0 HG23 THR A2085 -0.280 -6.615 6.452 1.00 0.57 H new ATOM 477 N ILE A2086 -4.534 -6.116 3.821 1.00 0.39 N ATOM 478 CA ILE A2086 -5.923 -5.874 3.495 1.00 0.40 C ATOM 479 C ILE A2086 -6.797 -6.941 4.134 1.00 0.45 C ATOM 480 O ILE A2086 -6.462 -8.127 4.115 1.00 0.55 O ATOM 481 CB ILE A2086 -6.153 -5.821 1.957 1.00 0.47 C ATOM 482 CG1 ILE A2086 -7.642 -5.641 1.600 1.00 0.56 C ATOM 483 CG2 ILE A2086 -5.594 -7.061 1.280 1.00 0.57 C ATOM 484 CD1 ILE A2086 -8.446 -6.928 1.507 1.00 1.18 C ATOM 0 H ILE A2086 -4.123 -6.919 3.346 1.00 0.39 H new ATOM 0 HA ILE A2086 -6.200 -4.899 3.895 1.00 0.40 H new ATOM 0 HB ILE A2086 -5.617 -4.947 1.586 1.00 0.47 H new ATOM 0 HG12 ILE A2086 -8.103 -4.997 2.349 1.00 0.56 H new ATOM 0 HG13 ILE A2086 -7.710 -5.119 0.645 1.00 0.56 H new ATOM 0 HG21 ILE A2086 -5.768 -6.999 0.206 1.00 0.57 H new ATOM 0 HG22 ILE A2086 -4.523 -7.128 1.471 1.00 0.57 H new ATOM 0 HG23 ILE A2086 -6.090 -7.947 1.677 1.00 0.57 H new ATOM 0 HD11 ILE A2086 -9.479 -6.694 1.251 1.00 1.18 H new ATOM 0 HD12 ILE A2086 -8.018 -7.569 0.737 1.00 1.18 H new ATOM 0 HD13 ILE A2086 -8.418 -7.445 2.466 1.00 1.18 H new ATOM 496 N VAL A2087 -7.894 -6.516 4.728 1.00 0.49 N ATOM 497 CA VAL A2087 -8.873 -7.441 5.263 1.00 0.59 C ATOM 498 C VAL A2087 -10.228 -7.178 4.612 1.00 0.58 C ATOM 499 O VAL A2087 -10.513 -6.048 4.199 1.00 0.53 O ATOM 500 CB VAL A2087 -8.986 -7.337 6.803 1.00 0.73 C ATOM 501 CG1 VAL A2087 -7.675 -7.733 7.464 1.00 0.78 C ATOM 502 CG2 VAL A2087 -9.390 -5.938 7.225 1.00 0.80 C ATOM 0 H VAL A2087 -8.131 -5.532 4.853 1.00 0.49 H new ATOM 0 HA VAL A2087 -8.544 -8.454 5.033 1.00 0.59 H new ATOM 0 HB VAL A2087 -9.763 -8.028 7.131 1.00 0.73 H new ATOM 0 HG11 VAL A2087 -7.775 -7.653 8.547 1.00 0.78 H new ATOM 0 HG12 VAL A2087 -7.429 -8.761 7.197 1.00 0.78 H new ATOM 0 HG13 VAL A2087 -6.881 -7.069 7.123 1.00 0.78 H new ATOM 0 HG21 VAL A2087 -9.462 -5.892 8.312 1.00 0.80 H new ATOM 0 HG22 VAL A2087 -8.642 -5.224 6.881 1.00 0.80 H new ATOM 0 HG23 VAL A2087 -10.357 -5.691 6.786 1.00 0.80 H new ATOM 512 N PRO A2088 -11.068 -8.226 4.490 1.00 0.66 N ATOM 513 CA PRO A2088 -12.361 -8.162 3.781 1.00 0.68 C ATOM 514 C PRO A2088 -13.337 -7.140 4.368 1.00 0.66 C ATOM 515 O PRO A2088 -14.448 -6.975 3.864 1.00 0.69 O ATOM 516 CB PRO A2088 -12.931 -9.576 3.932 1.00 0.81 C ATOM 517 CG PRO A2088 -11.761 -10.437 4.251 1.00 0.97 C ATOM 518 CD PRO A2088 -10.817 -9.573 5.033 1.00 0.78 C ATOM 0 HA PRO A2088 -12.217 -7.842 2.749 1.00 0.68 H new ATOM 0 HB2 PRO A2088 -13.678 -9.617 4.725 1.00 0.81 H new ATOM 0 HB3 PRO A2088 -13.422 -9.903 3.015 1.00 0.81 H new ATOM 0 HG2 PRO A2088 -12.064 -11.309 4.831 1.00 0.97 H new ATOM 0 HG3 PRO A2088 -11.289 -10.808 3.341 1.00 0.97 H new ATOM 0 HD2 PRO A2088 -11.020 -9.620 6.103 1.00 0.78 H new ATOM 0 HD3 PRO A2088 -9.780 -9.878 4.891 1.00 0.78 H new ATOM 526 N ASP A2089 -12.924 -6.469 5.435 1.00 0.67 N ATOM 527 CA ASP A2089 -13.691 -5.370 6.003 1.00 0.73 C ATOM 528 C ASP A2089 -13.729 -4.202 5.021 1.00 0.66 C ATOM 529 O ASP A2089 -14.605 -3.342 5.086 1.00 0.73 O ATOM 530 CB ASP A2089 -13.066 -4.935 7.333 1.00 0.85 C ATOM 531 CG ASP A2089 -13.739 -3.724 7.945 1.00 1.59 C ATOM 532 OD1 ASP A2089 -14.743 -3.897 8.663 1.00 2.29 O ATOM 533 OD2 ASP A2089 -13.256 -2.596 7.731 1.00 2.26 O ATOM 0 H ASP A2089 -12.054 -6.670 5.928 1.00 0.67 H new ATOM 0 HA ASP A2089 -14.713 -5.700 6.189 1.00 0.73 H new ATOM 0 HB2 ASP A2089 -13.116 -5.765 8.038 1.00 0.85 H new ATOM 0 HB3 ASP A2089 -12.010 -4.714 7.175 1.00 0.85 H new ATOM 538 N GLY A2090 -12.780 -4.202 4.094 1.00 0.59 N ATOM 539 CA GLY A2090 -12.694 -3.141 3.113 1.00 0.63 C ATOM 540 C GLY A2090 -11.647 -2.125 3.497 1.00 0.70 C ATOM 541 O GLY A2090 -11.593 -1.024 2.952 1.00 0.83 O ATOM 0 H GLY A2090 -12.064 -4.923 4.005 1.00 0.59 H new ATOM 0 HA2 GLY A2090 -12.454 -3.563 2.137 1.00 0.63 H new ATOM 0 HA3 GLY A2090 -13.663 -2.650 3.018 1.00 0.63 H new ATOM 545 N THR A2091 -10.807 -2.509 4.441 1.00 0.70 N ATOM 546 CA THR A2091 -9.786 -1.626 4.959 1.00 0.79 C ATOM 547 C THR A2091 -8.401 -2.225 4.733 1.00 0.60 C ATOM 548 O THR A2091 -8.231 -3.449 4.738 1.00 0.59 O ATOM 549 CB THR A2091 -10.016 -1.348 6.463 1.00 1.05 C ATOM 550 OG1 THR A2091 -9.040 -0.425 6.963 1.00 1.51 O ATOM 551 CG2 THR A2091 -9.967 -2.636 7.270 1.00 0.86 C ATOM 0 H THR A2091 -10.815 -3.436 4.866 1.00 0.70 H new ATOM 0 HA THR A2091 -9.847 -0.679 4.423 1.00 0.79 H new ATOM 0 HB THR A2091 -11.007 -0.908 6.570 1.00 1.05 H new ATOM 0 HG1 THR A2091 -8.977 -0.511 7.937 1.00 1.51 H new ATOM 0 HG21 THR A2091 -10.132 -2.412 8.324 1.00 0.86 H new ATOM 0 HG22 THR A2091 -10.743 -3.316 6.918 1.00 0.86 H new ATOM 0 HG23 THR A2091 -8.991 -3.105 7.147 1.00 0.86 H new ATOM 559 N VAL A2092 -7.424 -1.359 4.500 1.00 0.60 N ATOM 560 CA VAL A2092 -6.051 -1.783 4.279 1.00 0.54 C ATOM 561 C VAL A2092 -5.119 -0.933 5.126 1.00 0.55 C ATOM 562 O VAL A2092 -5.307 0.278 5.236 1.00 0.78 O ATOM 563 CB VAL A2092 -5.634 -1.656 2.794 1.00 0.79 C ATOM 564 CG1 VAL A2092 -4.270 -2.290 2.556 1.00 1.02 C ATOM 565 CG2 VAL A2092 -6.673 -2.276 1.880 1.00 1.18 C ATOM 0 H VAL A2092 -7.561 -0.349 4.459 1.00 0.60 H new ATOM 0 HA VAL A2092 -5.982 -2.834 4.561 1.00 0.54 H new ATOM 0 HB VAL A2092 -5.565 -0.594 2.559 1.00 0.79 H new ATOM 0 HG11 VAL A2092 -4.000 -2.188 1.505 1.00 1.02 H new ATOM 0 HG12 VAL A2092 -3.524 -1.790 3.173 1.00 1.02 H new ATOM 0 HG13 VAL A2092 -4.309 -3.347 2.819 1.00 1.02 H new ATOM 0 HG21 VAL A2092 -6.354 -2.172 0.843 1.00 1.18 H new ATOM 0 HG22 VAL A2092 -6.785 -3.333 2.121 1.00 1.18 H new ATOM 0 HG23 VAL A2092 -7.628 -1.769 2.018 1.00 1.18 H new ATOM 575 N THR A2093 -4.127 -1.564 5.724 1.00 0.47 N ATOM 576 CA THR A2093 -3.172 -0.867 6.545 1.00 0.53 C ATOM 577 C THR A2093 -1.908 -0.564 5.744 1.00 0.44 C ATOM 578 O THR A2093 -1.155 -1.472 5.386 1.00 0.41 O ATOM 579 CB THR A2093 -2.818 -1.714 7.778 1.00 0.71 C ATOM 580 OG1 THR A2093 -4.014 -2.062 8.490 1.00 1.46 O ATOM 581 CG2 THR A2093 -1.876 -0.964 8.694 1.00 0.71 C ATOM 0 H THR A2093 -3.966 -2.569 5.652 1.00 0.47 H new ATOM 0 HA THR A2093 -3.615 0.073 6.874 1.00 0.53 H new ATOM 0 HB THR A2093 -2.320 -2.622 7.440 1.00 0.71 H new ATOM 0 HG1 THR A2093 -3.782 -2.603 9.274 1.00 1.46 H new ATOM 0 HG21 THR A2093 -1.640 -1.583 9.559 1.00 0.71 H new ATOM 0 HG22 THR A2093 -0.958 -0.726 8.156 1.00 0.71 H new ATOM 0 HG23 THR A2093 -2.350 -0.041 9.027 1.00 0.71 H new ATOM 589 N PHE A2094 -1.698 0.710 5.442 1.00 0.46 N ATOM 590 CA PHE A2094 -0.521 1.134 4.697 1.00 0.42 C ATOM 591 C PHE A2094 0.639 1.382 5.665 1.00 0.43 C ATOM 592 O PHE A2094 0.713 2.434 6.302 1.00 0.52 O ATOM 593 CB PHE A2094 -0.823 2.411 3.876 1.00 0.51 C ATOM 594 CG PHE A2094 -1.748 2.209 2.689 1.00 0.47 C ATOM 595 CD1 PHE A2094 -1.942 3.224 1.748 1.00 1.21 C ATOM 596 CD2 PHE A2094 -2.418 1.009 2.504 1.00 1.26 C ATOM 597 CE1 PHE A2094 -2.776 3.033 0.664 1.00 1.23 C ATOM 598 CE2 PHE A2094 -3.255 0.823 1.422 1.00 1.27 C ATOM 599 CZ PHE A2094 -3.432 1.834 0.503 1.00 0.55 C ATOM 0 H PHE A2094 -2.328 1.469 5.702 1.00 0.46 H new ATOM 0 HA PHE A2094 -0.242 0.344 4.000 1.00 0.42 H new ATOM 0 HB2 PHE A2094 -1.265 3.155 4.539 1.00 0.51 H new ATOM 0 HB3 PHE A2094 0.119 2.825 3.517 1.00 0.51 H new ATOM 0 HD1 PHE A2094 -1.434 4.169 1.870 1.00 1.21 H new ATOM 0 HD2 PHE A2094 -2.283 0.209 3.216 1.00 1.26 H new ATOM 0 HE1 PHE A2094 -2.913 3.825 -0.058 1.00 1.23 H new ATOM 0 HE2 PHE A2094 -3.772 -0.117 1.296 1.00 1.27 H new ATOM 0 HZ PHE A2094 -4.086 1.686 -0.344 1.00 0.55 H new ATOM 609 N THR A2095 1.528 0.399 5.797 1.00 0.37 N ATOM 610 CA THR A2095 2.696 0.536 6.660 1.00 0.39 C ATOM 611 C THR A2095 3.971 0.647 5.823 1.00 0.37 C ATOM 612 O THR A2095 4.512 -0.358 5.355 1.00 0.37 O ATOM 613 CB THR A2095 2.809 -0.649 7.637 1.00 0.47 C ATOM 614 OG1 THR A2095 1.596 -0.766 8.396 1.00 0.58 O ATOM 615 CG2 THR A2095 3.986 -0.468 8.586 1.00 0.58 C ATOM 0 H THR A2095 1.461 -0.499 5.318 1.00 0.37 H new ATOM 0 HA THR A2095 2.573 1.449 7.243 1.00 0.39 H new ATOM 0 HB THR A2095 2.972 -1.556 7.055 1.00 0.47 H new ATOM 0 HG1 THR A2095 1.669 -1.522 9.016 1.00 0.58 H new ATOM 0 HG21 THR A2095 4.041 -1.320 9.264 1.00 0.58 H new ATOM 0 HG22 THR A2095 4.910 -0.401 8.011 1.00 0.58 H new ATOM 0 HG23 THR A2095 3.851 0.447 9.163 1.00 0.58 H new ATOM 623 N PRO A2096 4.454 1.885 5.629 1.00 0.50 N ATOM 624 CA PRO A2096 5.589 2.177 4.755 1.00 0.61 C ATOM 625 C PRO A2096 6.950 2.088 5.452 1.00 0.69 C ATOM 626 O PRO A2096 7.045 2.109 6.683 1.00 0.81 O ATOM 627 CB PRO A2096 5.301 3.617 4.339 1.00 0.88 C ATOM 628 CG PRO A2096 4.635 4.229 5.524 1.00 0.98 C ATOM 629 CD PRO A2096 3.915 3.115 6.243 1.00 0.69 C ATOM 0 HA PRO A2096 5.669 1.459 3.938 1.00 0.61 H new ATOM 0 HB2 PRO A2096 6.219 4.146 4.084 1.00 0.88 H new ATOM 0 HB3 PRO A2096 4.657 3.654 3.460 1.00 0.88 H new ATOM 0 HG2 PRO A2096 5.368 4.701 6.178 1.00 0.98 H new ATOM 0 HG3 PRO A2096 3.935 5.006 5.216 1.00 0.98 H new ATOM 0 HD2 PRO A2096 4.107 3.143 7.316 1.00 0.69 H new ATOM 0 HD3 PRO A2096 2.835 3.187 6.111 1.00 0.69 H new ATOM 637 N ASP A2097 7.996 1.978 4.636 1.00 0.89 N ATOM 638 CA ASP A2097 9.390 1.967 5.094 1.00 1.14 C ATOM 639 C ASP A2097 9.848 3.358 5.560 1.00 1.37 C ATOM 640 O ASP A2097 10.929 3.829 5.203 1.00 1.39 O ATOM 641 CB ASP A2097 10.301 1.472 3.955 1.00 1.24 C ATOM 642 CG ASP A2097 10.460 2.479 2.821 1.00 2.06 C ATOM 643 OD1 ASP A2097 9.450 3.093 2.410 1.00 2.61 O ATOM 644 OD2 ASP A2097 11.593 2.661 2.332 1.00 2.72 O ATOM 0 H ASP A2097 7.902 1.893 3.624 1.00 0.89 H new ATOM 0 HA ASP A2097 9.459 1.293 5.948 1.00 1.14 H new ATOM 0 HB2 ASP A2097 11.284 1.238 4.363 1.00 1.24 H new ATOM 0 HB3 ASP A2097 9.894 0.545 3.552 1.00 1.24 H new ATOM 649 N LYS A2098 9.044 4.000 6.390 1.00 1.89 N ATOM 650 CA LYS A2098 9.326 5.363 6.825 1.00 2.37 C ATOM 651 C LYS A2098 10.526 5.403 7.775 1.00 2.32 C ATOM 652 O LYS A2098 11.041 6.471 8.103 1.00 2.66 O ATOM 653 CB LYS A2098 8.086 5.957 7.490 1.00 3.03 C ATOM 654 CG LYS A2098 8.210 7.434 7.822 1.00 3.48 C ATOM 655 CD LYS A2098 6.893 8.003 8.317 1.00 4.03 C ATOM 656 CE LYS A2098 5.832 7.978 7.228 1.00 4.43 C ATOM 657 NZ LYS A2098 4.571 8.624 7.665 1.00 4.81 N ATOM 0 H LYS A2098 8.189 3.601 6.778 1.00 1.89 H new ATOM 0 HA LYS A2098 9.581 5.962 5.951 1.00 2.37 H new ATOM 0 HB2 LYS A2098 7.229 5.814 6.831 1.00 3.03 H new ATOM 0 HB3 LYS A2098 7.879 5.405 8.407 1.00 3.03 H new ATOM 0 HG2 LYS A2098 8.978 7.574 8.583 1.00 3.48 H new ATOM 0 HG3 LYS A2098 8.535 7.981 6.937 1.00 3.48 H new ATOM 0 HD2 LYS A2098 6.547 7.429 9.177 1.00 4.03 H new ATOM 0 HD3 LYS A2098 7.043 9.028 8.657 1.00 4.03 H new ATOM 0 HE2 LYS A2098 6.211 8.486 6.341 1.00 4.43 H new ATOM 0 HE3 LYS A2098 5.630 6.946 6.942 1.00 4.43 H new ATOM 0 HZ1 LYS A2098 3.875 8.585 6.893 1.00 4.81 H new ATOM 0 HZ2 LYS A2098 4.195 8.124 8.496 1.00 4.81 H new ATOM 0 HZ3 LYS A2098 4.757 9.617 7.913 1.00 4.81 H new ATOM 671 N GLN A2099 10.968 4.233 8.204 1.00 2.03 N ATOM 672 CA GLN A2099 12.123 4.121 9.086 1.00 2.09 C ATOM 673 C GLN A2099 13.258 3.358 8.399 1.00 1.67 C ATOM 674 O GLN A2099 14.118 2.778 9.063 1.00 1.81 O ATOM 675 CB GLN A2099 11.722 3.399 10.371 1.00 2.41 C ATOM 676 CG GLN A2099 10.652 4.118 11.177 1.00 2.99 C ATOM 677 CD GLN A2099 10.038 3.227 12.234 1.00 3.86 C ATOM 678 OE1 GLN A2099 10.531 3.143 13.358 1.00 4.40 O ATOM 679 NE2 GLN A2099 8.952 2.556 11.883 1.00 4.42 N ATOM 0 H GLN A2099 10.543 3.340 7.955 1.00 2.03 H new ATOM 0 HA GLN A2099 12.475 5.125 9.325 1.00 2.09 H new ATOM 0 HB2 GLN A2099 11.363 2.402 10.118 1.00 2.41 H new ATOM 0 HB3 GLN A2099 12.607 3.270 10.994 1.00 2.41 H new ATOM 0 HG2 GLN A2099 11.087 4.997 11.653 1.00 2.99 H new ATOM 0 HG3 GLN A2099 9.871 4.473 10.505 1.00 2.99 H new ATOM 0 HE21 GLN A2099 8.575 2.653 10.940 1.00 4.42 H new ATOM 0 HE22 GLN A2099 8.493 1.942 12.555 1.00 4.42 H new ATOM 688 N PHE A2100 13.263 3.369 7.073 1.00 1.40 N ATOM 689 CA PHE A2100 14.208 2.563 6.309 1.00 1.20 C ATOM 690 C PHE A2100 15.197 3.431 5.537 1.00 1.31 C ATOM 691 O PHE A2100 14.845 4.493 5.020 1.00 1.72 O ATOM 692 CB PHE A2100 13.438 1.657 5.350 1.00 1.32 C ATOM 693 CG PHE A2100 14.297 0.719 4.553 1.00 1.46 C ATOM 694 CD1 PHE A2100 15.012 -0.291 5.177 1.00 1.93 C ATOM 695 CD2 PHE A2100 14.375 0.838 3.176 1.00 2.04 C ATOM 696 CE1 PHE A2100 15.789 -1.163 4.442 1.00 2.23 C ATOM 697 CE2 PHE A2100 15.151 -0.030 2.437 1.00 2.36 C ATOM 698 CZ PHE A2100 15.859 -1.032 3.070 1.00 2.18 C ATOM 0 H PHE A2100 12.625 3.926 6.504 1.00 1.40 H new ATOM 0 HA PHE A2100 14.785 1.957 7.008 1.00 1.20 H new ATOM 0 HB2 PHE A2100 12.718 1.072 5.922 1.00 1.32 H new ATOM 0 HB3 PHE A2100 12.867 2.280 4.662 1.00 1.32 H new ATOM 0 HD1 PHE A2100 14.961 -0.397 6.251 1.00 1.93 H new ATOM 0 HD2 PHE A2100 13.822 1.619 2.675 1.00 2.04 H new ATOM 0 HE1 PHE A2100 16.341 -1.946 4.940 1.00 2.23 H new ATOM 0 HE2 PHE A2100 15.205 0.074 1.363 1.00 2.36 H new ATOM 0 HZ PHE A2100 16.467 -1.712 2.492 1.00 2.18 H new ATOM 708 N VAL A2101 16.443 2.970 5.478 1.00 1.55 N ATOM 709 CA VAL A2101 17.489 3.645 4.721 1.00 1.92 C ATOM 710 C VAL A2101 18.248 2.637 3.854 1.00 2.31 C ATOM 711 O VAL A2101 19.048 1.845 4.355 1.00 2.68 O ATOM 712 CB VAL A2101 18.474 4.391 5.657 1.00 2.35 C ATOM 713 CG1 VAL A2101 19.671 4.932 4.888 1.00 2.67 C ATOM 714 CG2 VAL A2101 17.764 5.529 6.373 1.00 2.45 C ATOM 0 H VAL A2101 16.754 2.122 5.952 1.00 1.55 H new ATOM 0 HA VAL A2101 17.012 4.384 4.078 1.00 1.92 H new ATOM 0 HB VAL A2101 18.838 3.674 6.392 1.00 2.35 H new ATOM 0 HG11 VAL A2101 20.341 5.449 5.575 1.00 2.67 H new ATOM 0 HG12 VAL A2101 20.203 4.107 4.415 1.00 2.67 H new ATOM 0 HG13 VAL A2101 19.327 5.628 4.123 1.00 2.67 H new ATOM 0 HG21 VAL A2101 18.468 6.043 7.027 1.00 2.45 H new ATOM 0 HG22 VAL A2101 17.371 6.232 5.639 1.00 2.45 H new ATOM 0 HG23 VAL A2101 16.943 5.129 6.968 1.00 2.45 H new ATOM 724 N GLY A2102 17.976 2.663 2.558 1.00 2.55 N ATOM 725 CA GLY A2102 18.625 1.756 1.629 1.00 3.15 C ATOM 726 C GLY A2102 17.981 1.818 0.260 1.00 3.22 C ATOM 727 O GLY A2102 18.276 2.718 -0.525 1.00 3.84 O ATOM 0 H GLY A2102 17.309 3.304 2.127 1.00 2.55 H new ATOM 0 HA2 GLY A2102 19.682 2.010 1.548 1.00 3.15 H new ATOM 0 HA3 GLY A2102 18.570 0.737 2.013 1.00 3.15 H new ATOM 731 N LYS A2103 17.112 0.856 -0.027 1.00 2.91 N ATOM 732 CA LYS A2103 16.274 0.899 -1.219 1.00 3.06 C ATOM 733 C LYS A2103 15.157 -0.142 -1.103 1.00 2.39 C ATOM 734 O LYS A2103 15.415 -1.336 -0.919 1.00 2.33 O ATOM 735 CB LYS A2103 17.088 0.702 -2.521 1.00 3.80 C ATOM 736 CG LYS A2103 17.520 -0.730 -2.819 1.00 4.59 C ATOM 737 CD LYS A2103 18.574 -1.232 -1.849 1.00 5.33 C ATOM 738 CE LYS A2103 18.812 -2.724 -2.019 1.00 6.21 C ATOM 739 NZ LYS A2103 17.571 -3.509 -1.786 1.00 6.78 N ATOM 0 H LYS A2103 16.969 0.030 0.555 1.00 2.91 H new ATOM 0 HA LYS A2103 15.833 1.894 -1.281 1.00 3.06 H new ATOM 0 HB2 LYS A2103 16.492 1.064 -3.359 1.00 3.80 H new ATOM 0 HB3 LYS A2103 17.979 1.328 -2.469 1.00 3.80 H new ATOM 0 HG2 LYS A2103 16.650 -1.385 -2.776 1.00 4.59 H new ATOM 0 HG3 LYS A2103 17.910 -0.784 -3.835 1.00 4.59 H new ATOM 0 HD2 LYS A2103 19.507 -0.692 -2.010 1.00 5.33 H new ATOM 0 HD3 LYS A2103 18.258 -1.026 -0.826 1.00 5.33 H new ATOM 0 HE2 LYS A2103 19.184 -2.921 -3.025 1.00 6.21 H new ATOM 0 HE3 LYS A2103 19.585 -3.051 -1.324 1.00 6.21 H new ATOM 0 HZ1 LYS A2103 17.780 -4.311 -1.158 1.00 6.78 H new ATOM 0 HZ2 LYS A2103 16.853 -2.900 -1.343 1.00 6.78 H new ATOM 0 HZ3 LYS A2103 17.210 -3.865 -2.694 1.00 6.78 H new ATOM 753 N PRO A2104 13.898 0.307 -1.149 1.00 2.06 N ATOM 754 CA PRO A2104 12.739 -0.580 -1.066 1.00 1.50 C ATOM 755 C PRO A2104 12.457 -1.284 -2.390 1.00 1.35 C ATOM 756 O PRO A2104 12.704 -0.738 -3.465 1.00 1.62 O ATOM 757 CB PRO A2104 11.601 0.375 -0.714 1.00 1.62 C ATOM 758 CG PRO A2104 11.997 1.674 -1.324 1.00 2.21 C ATOM 759 CD PRO A2104 13.501 1.723 -1.267 1.00 2.43 C ATOM 0 HA PRO A2104 12.882 -1.383 -0.343 1.00 1.50 H new ATOM 0 HB2 PRO A2104 10.650 0.023 -1.114 1.00 1.62 H new ATOM 0 HB3 PRO A2104 11.479 0.465 0.365 1.00 1.62 H new ATOM 0 HG2 PRO A2104 11.644 1.745 -2.353 1.00 2.21 H new ATOM 0 HG3 PRO A2104 11.559 2.510 -0.778 1.00 2.21 H new ATOM 0 HD2 PRO A2104 13.920 2.182 -2.162 1.00 2.43 H new ATOM 0 HD3 PRO A2104 13.850 2.308 -0.416 1.00 2.43 H new ATOM 767 N ASP A2105 11.945 -2.501 -2.303 1.00 1.04 N ATOM 768 CA ASP A2105 11.618 -3.276 -3.490 1.00 0.98 C ATOM 769 C ASP A2105 10.270 -2.825 -4.052 1.00 0.79 C ATOM 770 O ASP A2105 9.382 -2.412 -3.298 1.00 0.78 O ATOM 771 CB ASP A2105 11.607 -4.774 -3.162 1.00 1.06 C ATOM 772 CG ASP A2105 12.959 -5.270 -2.683 1.00 1.66 C ATOM 773 OD1 ASP A2105 13.833 -5.547 -3.530 1.00 2.16 O ATOM 774 OD2 ASP A2105 13.160 -5.384 -1.454 1.00 2.33 O ATOM 0 H ASP A2105 11.746 -2.975 -1.422 1.00 1.04 H new ATOM 0 HA ASP A2105 12.380 -3.105 -4.250 1.00 0.98 H new ATOM 0 HB2 ASP A2105 10.858 -4.970 -2.395 1.00 1.06 H new ATOM 0 HB3 ASP A2105 11.310 -5.335 -4.048 1.00 1.06 H new ATOM 779 N PRO A2106 10.113 -2.879 -5.386 1.00 0.77 N ATOM 780 CA PRO A2106 8.944 -2.321 -6.081 1.00 0.73 C ATOM 781 C PRO A2106 7.641 -3.067 -5.798 1.00 0.61 C ATOM 782 O PRO A2106 7.557 -4.289 -5.946 1.00 0.74 O ATOM 783 CB PRO A2106 9.314 -2.444 -7.561 1.00 0.87 C ATOM 784 CG PRO A2106 10.302 -3.555 -7.617 1.00 1.03 C ATOM 785 CD PRO A2106 11.071 -3.491 -6.327 1.00 0.93 C ATOM 0 HA PRO A2106 8.746 -1.302 -5.749 1.00 0.73 H new ATOM 0 HB2 PRO A2106 8.437 -2.664 -8.171 1.00 0.87 H new ATOM 0 HB3 PRO A2106 9.741 -1.516 -7.940 1.00 0.87 H new ATOM 0 HG2 PRO A2106 9.801 -4.517 -7.726 1.00 1.03 H new ATOM 0 HG3 PRO A2106 10.967 -3.443 -8.474 1.00 1.03 H new ATOM 0 HD2 PRO A2106 11.382 -4.482 -5.996 1.00 0.93 H new ATOM 0 HD3 PRO A2106 11.975 -2.890 -6.428 1.00 0.93 H new ATOM 793 N VAL A2107 6.624 -2.309 -5.419 1.00 0.48 N ATOM 794 CA VAL A2107 5.302 -2.849 -5.153 1.00 0.37 C ATOM 795 C VAL A2107 4.268 -1.730 -5.279 1.00 0.35 C ATOM 796 O VAL A2107 4.618 -0.551 -5.227 1.00 0.60 O ATOM 797 CB VAL A2107 5.218 -3.487 -3.743 1.00 0.41 C ATOM 798 CG1 VAL A2107 5.138 -2.422 -2.675 1.00 0.54 C ATOM 799 CG2 VAL A2107 4.032 -4.425 -3.625 1.00 0.46 C ATOM 0 H VAL A2107 6.693 -1.300 -5.287 1.00 0.48 H new ATOM 0 HA VAL A2107 5.099 -3.633 -5.883 1.00 0.37 H new ATOM 0 HB VAL A2107 6.129 -4.068 -3.597 1.00 0.41 H new ATOM 0 HG11 VAL A2107 5.080 -2.894 -1.694 1.00 0.54 H new ATOM 0 HG12 VAL A2107 6.026 -1.792 -2.722 1.00 0.54 H new ATOM 0 HG13 VAL A2107 4.250 -1.811 -2.837 1.00 0.54 H new ATOM 0 HG21 VAL A2107 4.005 -4.854 -2.623 1.00 0.46 H new ATOM 0 HG22 VAL A2107 3.111 -3.872 -3.808 1.00 0.46 H new ATOM 0 HG23 VAL A2107 4.126 -5.225 -4.359 1.00 0.46 H new ATOM 809 N THR A2108 3.015 -2.094 -5.473 1.00 0.32 N ATOM 810 CA THR A2108 1.942 -1.116 -5.551 1.00 0.30 C ATOM 811 C THR A2108 0.695 -1.639 -4.852 1.00 0.30 C ATOM 812 O THR A2108 0.177 -2.708 -5.187 1.00 0.33 O ATOM 813 CB THR A2108 1.599 -0.748 -7.010 1.00 0.33 C ATOM 814 OG1 THR A2108 2.792 -0.375 -7.711 1.00 0.37 O ATOM 815 CG2 THR A2108 0.598 0.401 -7.060 1.00 0.35 C ATOM 0 H THR A2108 2.712 -3.062 -5.580 1.00 0.32 H new ATOM 0 HA THR A2108 2.294 -0.214 -5.050 1.00 0.30 H new ATOM 0 HB THR A2108 1.151 -1.620 -7.486 1.00 0.33 H new ATOM 0 HG1 THR A2108 2.569 -0.144 -8.637 1.00 0.37 H new ATOM 0 HG21 THR A2108 0.372 0.642 -8.099 1.00 0.35 H new ATOM 0 HG22 THR A2108 -0.318 0.108 -6.548 1.00 0.35 H new ATOM 0 HG23 THR A2108 1.024 1.276 -6.569 1.00 0.35 H new ATOM 823 N VAL A2109 0.231 -0.888 -3.873 1.00 0.38 N ATOM 824 CA VAL A2109 -0.974 -1.241 -3.143 1.00 0.46 C ATOM 825 C VAL A2109 -2.171 -0.570 -3.810 1.00 0.52 C ATOM 826 O VAL A2109 -2.106 0.609 -4.128 1.00 0.61 O ATOM 827 CB VAL A2109 -0.870 -0.795 -1.672 1.00 0.60 C ATOM 828 CG1 VAL A2109 -1.946 -1.463 -0.829 1.00 0.76 C ATOM 829 CG2 VAL A2109 0.523 -1.090 -1.123 1.00 0.61 C ATOM 0 H VAL A2109 0.673 -0.023 -3.562 1.00 0.38 H new ATOM 0 HA VAL A2109 -1.099 -2.324 -3.160 1.00 0.46 H new ATOM 0 HB VAL A2109 -1.031 0.282 -1.624 1.00 0.60 H new ATOM 0 HG11 VAL A2109 -1.854 -1.134 0.206 1.00 0.76 H new ATOM 0 HG12 VAL A2109 -2.930 -1.189 -1.211 1.00 0.76 H new ATOM 0 HG13 VAL A2109 -1.826 -2.545 -0.877 1.00 0.76 H new ATOM 0 HG21 VAL A2109 0.580 -0.769 -0.083 1.00 0.61 H new ATOM 0 HG22 VAL A2109 0.719 -2.161 -1.183 1.00 0.61 H new ATOM 0 HG23 VAL A2109 1.267 -0.551 -1.710 1.00 0.61 H new ATOM 839 N LYS A2110 -3.249 -1.312 -4.029 1.00 0.53 N ATOM 840 CA LYS A2110 -4.354 -0.824 -4.850 1.00 0.63 C ATOM 841 C LYS A2110 -5.684 -0.905 -4.100 1.00 0.70 C ATOM 842 O LYS A2110 -6.209 -1.985 -3.877 1.00 0.99 O ATOM 843 CB LYS A2110 -4.433 -1.673 -6.134 1.00 0.67 C ATOM 844 CG LYS A2110 -5.186 -1.037 -7.308 1.00 0.85 C ATOM 845 CD LYS A2110 -6.662 -0.771 -7.016 1.00 1.03 C ATOM 846 CE LYS A2110 -7.443 -2.044 -6.696 1.00 1.11 C ATOM 847 NZ LYS A2110 -7.548 -2.963 -7.858 1.00 1.63 N ATOM 0 H LYS A2110 -3.383 -2.250 -3.652 1.00 0.53 H new ATOM 0 HA LYS A2110 -4.170 0.222 -5.095 1.00 0.63 H new ATOM 0 HB2 LYS A2110 -3.418 -1.902 -6.459 1.00 0.67 H new ATOM 0 HB3 LYS A2110 -4.911 -2.622 -5.891 1.00 0.67 H new ATOM 0 HG2 LYS A2110 -4.702 -0.097 -7.573 1.00 0.85 H new ATOM 0 HG3 LYS A2110 -5.108 -1.692 -8.176 1.00 0.85 H new ATOM 0 HD2 LYS A2110 -6.742 -0.081 -6.176 1.00 1.03 H new ATOM 0 HD3 LYS A2110 -7.115 -0.280 -7.877 1.00 1.03 H new ATOM 0 HE2 LYS A2110 -6.958 -2.564 -5.870 1.00 1.11 H new ATOM 0 HE3 LYS A2110 -8.444 -1.775 -6.360 1.00 1.11 H new ATOM 0 HZ1 LYS A2110 -8.285 -3.673 -7.673 1.00 1.63 H new ATOM 0 HZ2 LYS A2110 -7.796 -2.419 -8.709 1.00 1.63 H new ATOM 0 HZ3 LYS A2110 -6.636 -3.441 -8.006 1.00 1.63 H new ATOM 861 N ARG A2111 -6.240 0.228 -3.723 1.00 0.52 N ATOM 862 CA ARG A2111 -7.612 0.249 -3.237 1.00 0.54 C ATOM 863 C ARG A2111 -8.280 1.555 -3.617 1.00 0.44 C ATOM 864 O ARG A2111 -7.687 2.622 -3.489 1.00 0.47 O ATOM 865 CB ARG A2111 -7.687 0.030 -1.724 1.00 0.62 C ATOM 866 CG ARG A2111 -6.946 1.066 -0.905 1.00 0.62 C ATOM 867 CD ARG A2111 -7.343 0.990 0.556 1.00 0.87 C ATOM 868 NE ARG A2111 -6.562 1.898 1.387 1.00 1.86 N ATOM 869 CZ ARG A2111 -6.829 2.145 2.668 1.00 2.47 C ATOM 870 NH1 ARG A2111 -7.911 1.627 3.239 1.00 2.41 N ATOM 871 NH2 ARG A2111 -6.029 2.929 3.367 1.00 3.47 N ATOM 0 H ARG A2111 -5.775 1.136 -3.741 1.00 0.52 H new ATOM 0 HA ARG A2111 -8.143 -0.577 -3.711 1.00 0.54 H new ATOM 0 HB2 ARG A2111 -8.734 0.026 -1.421 1.00 0.62 H new ATOM 0 HB3 ARG A2111 -7.284 -0.956 -1.491 1.00 0.62 H new ATOM 0 HG2 ARG A2111 -5.871 0.911 -1.002 1.00 0.62 H new ATOM 0 HG3 ARG A2111 -7.160 2.062 -1.292 1.00 0.62 H new ATOM 0 HD2 ARG A2111 -8.402 1.229 0.656 1.00 0.87 H new ATOM 0 HD3 ARG A2111 -7.211 -0.031 0.914 1.00 0.87 H new ATOM 0 HE ARG A2111 -5.765 2.372 0.963 1.00 1.86 H new ATOM 0 HH11 ARG A2111 -8.541 1.037 2.696 1.00 2.41 H new ATOM 0 HH12 ARG A2111 -8.111 1.819 4.221 1.00 2.41 H new ATOM 0 HH21 ARG A2111 -5.208 3.344 2.926 1.00 3.47 H new ATOM 0 HH22 ARG A2111 -6.232 3.120 4.348 1.00 3.47 H new ATOM 885 N VAL A2112 -9.505 1.470 -4.100 1.00 0.35 N ATOM 886 CA VAL A2112 -10.228 2.664 -4.513 1.00 0.28 C ATOM 887 C VAL A2112 -11.193 3.113 -3.426 1.00 0.25 C ATOM 888 O VAL A2112 -11.617 2.319 -2.588 1.00 0.29 O ATOM 889 CB VAL A2112 -10.999 2.444 -5.834 1.00 0.31 C ATOM 890 CG1 VAL A2112 -10.040 2.098 -6.962 1.00 0.40 C ATOM 891 CG2 VAL A2112 -12.057 1.364 -5.677 1.00 0.32 C ATOM 0 H VAL A2112 -10.019 0.597 -4.217 1.00 0.35 H new ATOM 0 HA VAL A2112 -9.485 3.443 -4.680 1.00 0.28 H new ATOM 0 HB VAL A2112 -11.506 3.375 -6.087 1.00 0.31 H new ATOM 0 HG11 VAL A2112 -10.602 1.947 -7.884 1.00 0.40 H new ATOM 0 HG12 VAL A2112 -9.330 2.914 -7.099 1.00 0.40 H new ATOM 0 HG13 VAL A2112 -9.499 1.185 -6.713 1.00 0.40 H new ATOM 0 HG21 VAL A2112 -12.584 1.231 -6.622 1.00 0.32 H new ATOM 0 HG22 VAL A2112 -11.580 0.426 -5.392 1.00 0.32 H new ATOM 0 HG23 VAL A2112 -12.767 1.660 -4.905 1.00 0.32 H new ATOM 901 N ASP A2113 -11.505 4.398 -3.428 1.00 0.26 N ATOM 902 CA ASP A2113 -12.447 4.962 -2.472 1.00 0.31 C ATOM 903 C ASP A2113 -13.855 5.009 -3.062 1.00 0.33 C ATOM 904 O ASP A2113 -14.104 4.434 -4.125 1.00 0.34 O ATOM 905 CB ASP A2113 -12.003 6.362 -2.024 1.00 0.40 C ATOM 906 CG ASP A2113 -11.756 7.319 -3.181 1.00 0.55 C ATOM 907 OD1 ASP A2113 -12.534 7.305 -4.157 1.00 0.85 O ATOM 908 OD2 ASP A2113 -10.788 8.102 -3.110 1.00 1.46 O ATOM 0 H ASP A2113 -11.118 5.075 -4.085 1.00 0.26 H new ATOM 0 HA ASP A2113 -12.464 4.314 -1.595 1.00 0.31 H new ATOM 0 HB2 ASP A2113 -12.766 6.784 -1.370 1.00 0.40 H new ATOM 0 HB3 ASP A2113 -11.090 6.274 -1.434 1.00 0.40 H new ATOM 913 N LYS A2114 -14.771 5.692 -2.384 1.00 0.40 N ATOM 914 CA LYS A2114 -16.158 5.784 -2.843 1.00 0.46 C ATOM 915 C LYS A2114 -16.278 6.538 -4.166 1.00 0.52 C ATOM 916 O LYS A2114 -17.241 6.359 -4.910 1.00 0.65 O ATOM 917 CB LYS A2114 -17.029 6.455 -1.782 1.00 0.55 C ATOM 918 CG LYS A2114 -17.291 5.576 -0.575 1.00 0.58 C ATOM 919 CD LYS A2114 -18.183 6.265 0.442 1.00 0.69 C ATOM 920 CE LYS A2114 -18.543 5.326 1.579 1.00 0.83 C ATOM 921 NZ LYS A2114 -19.367 4.175 1.115 1.00 1.72 N ATOM 0 H LYS A2114 -14.581 6.191 -1.515 1.00 0.40 H new ATOM 0 HA LYS A2114 -16.508 4.765 -3.009 1.00 0.46 H new ATOM 0 HB2 LYS A2114 -16.545 7.375 -1.454 1.00 0.55 H new ATOM 0 HB3 LYS A2114 -17.982 6.738 -2.230 1.00 0.55 H new ATOM 0 HG2 LYS A2114 -17.759 4.646 -0.898 1.00 0.58 H new ATOM 0 HG3 LYS A2114 -16.343 5.310 -0.106 1.00 0.58 H new ATOM 0 HD2 LYS A2114 -17.675 7.144 0.839 1.00 0.69 H new ATOM 0 HD3 LYS A2114 -19.092 6.616 -0.046 1.00 0.69 H new ATOM 0 HE2 LYS A2114 -17.630 4.954 2.044 1.00 0.83 H new ATOM 0 HE3 LYS A2114 -19.089 5.877 2.345 1.00 0.83 H new ATOM 0 HZ1 LYS A2114 -19.787 3.695 1.937 1.00 1.72 H new ATOM 0 HZ2 LYS A2114 -20.124 4.519 0.491 1.00 1.72 H new ATOM 0 HZ3 LYS A2114 -18.766 3.506 0.593 1.00 1.72 H new ATOM 935 N ASN A2115 -15.295 7.371 -4.467 1.00 0.52 N ATOM 936 CA ASN A2115 -15.318 8.153 -5.696 1.00 0.60 C ATOM 937 C ASN A2115 -14.634 7.390 -6.817 1.00 0.54 C ATOM 938 O ASN A2115 -14.832 7.682 -7.998 1.00 0.70 O ATOM 939 CB ASN A2115 -14.631 9.503 -5.494 1.00 0.72 C ATOM 940 CG ASN A2115 -15.343 10.377 -4.481 1.00 0.99 C ATOM 941 OD1 ASN A2115 -16.561 10.289 -4.307 1.00 1.84 O ATOM 942 ND2 ASN A2115 -14.588 11.229 -3.806 1.00 1.11 N ATOM 0 H ASN A2115 -14.474 7.524 -3.881 1.00 0.52 H new ATOM 0 HA ASN A2115 -16.359 8.330 -5.966 1.00 0.60 H new ATOM 0 HB2 ASN A2115 -13.604 9.338 -5.167 1.00 0.72 H new ATOM 0 HB3 ASN A2115 -14.581 10.027 -6.448 1.00 0.72 H new ATOM 0 HD21 ASN A2115 -15.010 11.845 -3.111 1.00 1.11 H new ATOM 0 HD22 ASN A2115 -13.584 11.270 -3.981 1.00 1.11 H new ATOM 949 N GLY A2116 -13.830 6.410 -6.436 1.00 0.38 N ATOM 950 CA GLY A2116 -13.126 5.600 -7.406 1.00 0.39 C ATOM 951 C GLY A2116 -11.670 5.992 -7.520 1.00 0.38 C ATOM 952 O GLY A2116 -10.992 5.614 -8.472 1.00 0.44 O ATOM 0 H GLY A2116 -13.652 6.160 -5.463 1.00 0.38 H new ATOM 0 HA2 GLY A2116 -13.198 4.550 -7.122 1.00 0.39 H new ATOM 0 HA3 GLY A2116 -13.606 5.701 -8.379 1.00 0.39 H new ATOM 956 N THR A2117 -11.188 6.753 -6.548 1.00 0.36 N ATOM 957 CA THR A2117 -9.802 7.182 -6.542 1.00 0.38 C ATOM 958 C THR A2117 -8.944 6.185 -5.765 1.00 0.33 C ATOM 959 O THR A2117 -9.191 5.924 -4.588 1.00 0.33 O ATOM 960 CB THR A2117 -9.658 8.586 -5.927 1.00 0.44 C ATOM 961 OG1 THR A2117 -10.585 9.485 -6.553 1.00 0.57 O ATOM 962 CG2 THR A2117 -8.243 9.116 -6.103 1.00 0.54 C ATOM 0 H THR A2117 -11.738 7.084 -5.755 1.00 0.36 H new ATOM 0 HA THR A2117 -9.459 7.224 -7.576 1.00 0.38 H new ATOM 0 HB THR A2117 -9.872 8.515 -4.860 1.00 0.44 H new ATOM 0 HG1 THR A2117 -10.492 10.377 -6.159 1.00 0.57 H new ATOM 0 HG21 THR A2117 -8.169 10.109 -5.660 1.00 0.54 H new ATOM 0 HG22 THR A2117 -7.539 8.445 -5.610 1.00 0.54 H new ATOM 0 HG23 THR A2117 -8.006 9.174 -7.165 1.00 0.54 H new ATOM 970 N PRO A2118 -7.952 5.575 -6.425 1.00 0.38 N ATOM 971 CA PRO A2118 -7.071 4.601 -5.789 1.00 0.40 C ATOM 972 C PRO A2118 -6.075 5.233 -4.817 1.00 0.35 C ATOM 973 O PRO A2118 -5.134 5.915 -5.228 1.00 0.39 O ATOM 974 CB PRO A2118 -6.320 3.954 -6.964 1.00 0.53 C ATOM 975 CG PRO A2118 -6.995 4.443 -8.202 1.00 0.61 C ATOM 976 CD PRO A2118 -7.624 5.755 -7.844 1.00 0.51 C ATOM 0 HA PRO A2118 -7.644 3.896 -5.186 1.00 0.40 H new ATOM 0 HB2 PRO A2118 -5.267 4.235 -6.957 1.00 0.53 H new ATOM 0 HB3 PRO A2118 -6.360 2.867 -6.901 1.00 0.53 H new ATOM 0 HG2 PRO A2118 -6.278 4.564 -9.014 1.00 0.61 H new ATOM 0 HG3 PRO A2118 -7.747 3.731 -8.543 1.00 0.61 H new ATOM 0 HD2 PRO A2118 -6.939 6.589 -7.999 1.00 0.51 H new ATOM 0 HD3 PRO A2118 -8.512 5.956 -8.443 1.00 0.51 H new ATOM 984 N VAL A2119 -6.307 5.031 -3.524 1.00 0.33 N ATOM 985 CA VAL A2119 -5.285 5.292 -2.519 1.00 0.33 C ATOM 986 C VAL A2119 -4.279 4.165 -2.569 1.00 0.36 C ATOM 987 O VAL A2119 -4.577 3.022 -2.212 1.00 0.39 O ATOM 988 CB VAL A2119 -5.858 5.439 -1.091 1.00 0.39 C ATOM 989 CG1 VAL A2119 -5.850 6.901 -0.680 1.00 0.52 C ATOM 990 CG2 VAL A2119 -7.267 4.879 -0.999 1.00 0.60 C ATOM 0 H VAL A2119 -7.192 4.688 -3.149 1.00 0.33 H new ATOM 0 HA VAL A2119 -4.816 6.248 -2.751 1.00 0.33 H new ATOM 0 HB VAL A2119 -5.226 4.867 -0.412 1.00 0.39 H new ATOM 0 HG11 VAL A2119 -6.255 6.998 0.327 1.00 0.52 H new ATOM 0 HG12 VAL A2119 -4.828 7.278 -0.698 1.00 0.52 H new ATOM 0 HG13 VAL A2119 -6.462 7.477 -1.374 1.00 0.52 H new ATOM 0 HG21 VAL A2119 -7.640 4.998 0.018 1.00 0.60 H new ATOM 0 HG22 VAL A2119 -7.918 5.416 -1.689 1.00 0.60 H new ATOM 0 HG23 VAL A2119 -7.256 3.821 -1.260 1.00 0.60 H new ATOM 1000 N THR A2120 -3.102 4.489 -3.058 1.00 0.39 N ATOM 1001 CA THR A2120 -2.098 3.494 -3.350 1.00 0.44 C ATOM 1002 C THR A2120 -0.803 3.820 -2.636 1.00 0.53 C ATOM 1003 O THR A2120 -0.705 4.820 -1.924 1.00 0.67 O ATOM 1004 CB THR A2120 -1.823 3.433 -4.871 1.00 0.52 C ATOM 1005 OG1 THR A2120 -1.357 4.707 -5.333 1.00 0.61 O ATOM 1006 CG2 THR A2120 -3.077 3.050 -5.642 1.00 0.55 C ATOM 0 H THR A2120 -2.816 5.446 -3.263 1.00 0.39 H new ATOM 0 HA THR A2120 -2.474 2.531 -3.005 1.00 0.44 H new ATOM 0 HB THR A2120 -1.062 2.672 -5.044 1.00 0.52 H new ATOM 0 HG1 THR A2120 -1.183 4.662 -6.296 1.00 0.61 H new ATOM 0 HG21 THR A2120 -2.852 3.015 -6.708 1.00 0.55 H new ATOM 0 HG22 THR A2120 -3.422 2.070 -5.312 1.00 0.55 H new ATOM 0 HG23 THR A2120 -3.857 3.790 -5.459 1.00 0.55 H new ATOM 1014 N ALA A2121 0.182 2.970 -2.824 1.00 0.53 N ATOM 1015 CA ALA A2121 1.523 3.261 -2.383 1.00 0.65 C ATOM 1016 C ALA A2121 2.471 3.045 -3.544 1.00 0.73 C ATOM 1017 O ALA A2121 2.458 1.984 -4.175 1.00 0.69 O ATOM 1018 CB ALA A2121 1.906 2.390 -1.197 1.00 0.70 C ATOM 0 H ALA A2121 0.075 2.066 -3.283 1.00 0.53 H new ATOM 0 HA ALA A2121 1.582 4.298 -2.052 1.00 0.65 H new ATOM 0 HB1 ALA A2121 2.922 2.629 -0.883 1.00 0.70 H new ATOM 0 HB2 ALA A2121 1.218 2.576 -0.372 1.00 0.70 H new ATOM 0 HB3 ALA A2121 1.852 1.340 -1.484 1.00 0.70 H new ATOM 1024 N THR A2122 3.274 4.053 -3.827 1.00 0.98 N ATOM 1025 CA THR A2122 4.193 4.009 -4.943 1.00 1.15 C ATOM 1026 C THR A2122 5.547 3.512 -4.477 1.00 0.99 C ATOM 1027 O THR A2122 6.316 4.253 -3.860 1.00 1.22 O ATOM 1028 CB THR A2122 4.337 5.397 -5.589 1.00 1.63 C ATOM 1029 OG1 THR A2122 4.639 6.367 -4.580 1.00 2.19 O ATOM 1030 CG2 THR A2122 3.059 5.792 -6.315 1.00 2.08 C ATOM 0 H THR A2122 3.306 4.920 -3.291 1.00 0.98 H new ATOM 0 HA THR A2122 3.794 3.323 -5.690 1.00 1.15 H new ATOM 0 HB THR A2122 5.148 5.358 -6.316 1.00 1.63 H new ATOM 0 HG1 THR A2122 5.302 5.998 -3.960 1.00 2.19 H new ATOM 0 HG21 THR A2122 3.185 6.777 -6.764 1.00 2.08 H new ATOM 0 HG22 THR A2122 2.844 5.063 -7.096 1.00 2.08 H new ATOM 0 HG23 THR A2122 2.231 5.819 -5.606 1.00 2.08 H new ATOM 1038 N TYR A2123 5.828 2.253 -4.744 1.00 0.85 N ATOM 1039 CA TYR A2123 7.045 1.650 -4.257 1.00 0.77 C ATOM 1040 C TYR A2123 7.923 1.143 -5.384 1.00 0.94 C ATOM 1041 O TYR A2123 7.508 0.332 -6.210 1.00 1.20 O ATOM 1042 CB TYR A2123 6.715 0.553 -3.252 1.00 0.83 C ATOM 1043 CG TYR A2123 6.774 1.065 -1.840 1.00 1.21 C ATOM 1044 CD1 TYR A2123 7.952 1.000 -1.117 1.00 1.93 C ATOM 1045 CD2 TYR A2123 5.663 1.644 -1.243 1.00 1.82 C ATOM 1046 CE1 TYR A2123 8.027 1.493 0.165 1.00 2.36 C ATOM 1047 CE2 TYR A2123 5.728 2.138 0.044 1.00 2.26 C ATOM 1048 CZ TYR A2123 6.913 2.058 0.740 1.00 2.25 C ATOM 1049 OH TYR A2123 6.991 2.555 2.014 1.00 2.81 O ATOM 0 H TYR A2123 5.232 1.633 -5.293 1.00 0.85 H new ATOM 0 HA TYR A2123 7.626 2.419 -3.748 1.00 0.77 H new ATOM 0 HB2 TYR A2123 5.720 0.158 -3.456 1.00 0.83 H new ATOM 0 HB3 TYR A2123 7.416 -0.273 -3.370 1.00 0.83 H new ATOM 0 HD1 TYR A2123 8.827 0.555 -1.567 1.00 1.93 H new ATOM 0 HD2 TYR A2123 4.736 1.709 -1.793 1.00 1.82 H new ATOM 0 HE1 TYR A2123 8.954 1.437 0.716 1.00 2.36 H new ATOM 0 HE2 TYR A2123 4.857 2.583 0.501 1.00 2.26 H new ATOM 0 HH TYR A2123 7.789 3.118 2.097 1.00 2.81 H new ATOM 1059 N SER A2124 9.143 1.650 -5.398 1.00 1.07 N ATOM 1060 CA SER A2124 10.123 1.327 -6.415 1.00 1.29 C ATOM 1061 C SER A2124 11.519 1.478 -5.820 1.00 1.24 C ATOM 1062 O SER A2124 11.693 2.181 -4.822 1.00 1.31 O ATOM 1063 CB SER A2124 9.945 2.273 -7.606 1.00 1.66 C ATOM 1064 OG SER A2124 9.991 3.624 -7.188 1.00 2.06 O ATOM 0 H SER A2124 9.483 2.305 -4.694 1.00 1.07 H new ATOM 0 HA SER A2124 9.989 0.301 -6.758 1.00 1.29 H new ATOM 0 HB2 SER A2124 10.728 2.089 -8.342 1.00 1.66 H new ATOM 0 HB3 SER A2124 8.992 2.072 -8.096 1.00 1.66 H new ATOM 0 HG SER A2124 9.877 4.211 -7.965 1.00 2.06 H new ATOM 1070 N PRO A2125 12.534 0.821 -6.411 1.00 1.46 N ATOM 1071 CA PRO A2125 13.913 0.888 -5.912 1.00 1.71 C ATOM 1072 C PRO A2125 14.576 2.236 -6.185 1.00 1.73 C ATOM 1073 O PRO A2125 15.786 2.391 -6.016 1.00 2.16 O ATOM 1074 CB PRO A2125 14.625 -0.222 -6.681 1.00 2.09 C ATOM 1075 CG PRO A2125 13.849 -0.368 -7.943 1.00 2.09 C ATOM 1076 CD PRO A2125 12.419 -0.052 -7.596 1.00 1.75 C ATOM 0 HA PRO A2125 13.954 0.771 -4.829 1.00 1.71 H new ATOM 0 HB2 PRO A2125 15.663 0.040 -6.883 1.00 2.09 H new ATOM 0 HB3 PRO A2125 14.636 -1.152 -6.113 1.00 2.09 H new ATOM 0 HG2 PRO A2125 14.222 0.310 -8.710 1.00 2.09 H new ATOM 0 HG3 PRO A2125 13.939 -1.379 -8.340 1.00 2.09 H new ATOM 0 HD2 PRO A2125 11.909 0.452 -8.417 1.00 1.75 H new ATOM 0 HD3 PRO A2125 11.851 -0.956 -7.375 1.00 1.75 H new ATOM 1084 N GLU A2126 13.778 3.206 -6.614 1.00 1.86 N ATOM 1085 CA GLU A2126 14.266 4.552 -6.850 1.00 2.08 C ATOM 1086 C GLU A2126 14.388 5.293 -5.525 1.00 1.98 C ATOM 1087 O GLU A2126 15.195 6.213 -5.380 1.00 2.37 O ATOM 1088 CB GLU A2126 13.324 5.298 -7.794 1.00 2.47 C ATOM 1089 CG GLU A2126 13.845 6.656 -8.226 1.00 3.11 C ATOM 1090 CD GLU A2126 12.933 7.333 -9.220 1.00 3.80 C ATOM 1091 OE1 GLU A2126 13.125 7.134 -10.437 1.00 4.26 O ATOM 1092 OE2 GLU A2126 12.014 8.062 -8.791 1.00 4.33 O ATOM 0 H GLU A2126 12.784 3.080 -6.806 1.00 1.86 H new ATOM 0 HA GLU A2126 15.249 4.499 -7.317 1.00 2.08 H new ATOM 0 HB2 GLU A2126 13.151 4.686 -8.679 1.00 2.47 H new ATOM 0 HB3 GLU A2126 12.359 5.428 -7.303 1.00 2.47 H new ATOM 0 HG2 GLU A2126 13.960 7.294 -7.349 1.00 3.11 H new ATOM 0 HG3 GLU A2126 14.835 6.539 -8.667 1.00 3.11 H new ATOM 1099 N PHE A2127 13.585 4.875 -4.560 1.00 2.04 N ATOM 1100 CA PHE A2127 13.644 5.439 -3.224 1.00 2.23 C ATOM 1101 C PHE A2127 14.842 4.861 -2.488 1.00 2.57 C ATOM 1102 O PHE A2127 15.305 3.766 -2.807 1.00 3.09 O ATOM 1103 CB PHE A2127 12.356 5.139 -2.454 1.00 2.24 C ATOM 1104 CG PHE A2127 11.121 5.703 -3.099 1.00 2.48 C ATOM 1105 CD1 PHE A2127 10.338 4.918 -3.929 1.00 2.99 C ATOM 1106 CD2 PHE A2127 10.744 7.017 -2.873 1.00 2.99 C ATOM 1107 CE1 PHE A2127 9.200 5.432 -4.521 1.00 3.64 C ATOM 1108 CE2 PHE A2127 9.608 7.536 -3.465 1.00 3.62 C ATOM 1109 CZ PHE A2127 8.836 6.743 -4.288 1.00 3.83 C ATOM 0 H PHE A2127 12.883 4.145 -4.679 1.00 2.04 H new ATOM 0 HA PHE A2127 13.750 6.521 -3.299 1.00 2.23 H new ATOM 0 HB2 PHE A2127 12.244 4.059 -2.358 1.00 2.24 H new ATOM 0 HB3 PHE A2127 12.444 5.542 -1.445 1.00 2.24 H new ATOM 0 HD1 PHE A2127 10.620 3.892 -4.116 1.00 2.99 H new ATOM 0 HD2 PHE A2127 11.344 7.642 -2.228 1.00 2.99 H new ATOM 0 HE1 PHE A2127 8.597 4.809 -5.165 1.00 3.64 H new ATOM 0 HE2 PHE A2127 9.325 8.562 -3.283 1.00 3.62 H new ATOM 0 HZ PHE A2127 7.947 7.147 -4.750 1.00 3.83 H new ATOM 1119 N THR A2128 15.350 5.597 -1.518 1.00 2.82 N ATOM 1120 CA THR A2128 16.527 5.171 -0.783 1.00 3.38 C ATOM 1121 C THR A2128 16.337 5.382 0.713 1.00 2.89 C ATOM 1122 O THR A2128 16.121 4.433 1.468 1.00 3.03 O ATOM 1123 CB THR A2128 17.782 5.931 -1.263 1.00 4.34 C ATOM 1124 OG1 THR A2128 17.497 7.333 -1.374 1.00 4.91 O ATOM 1125 CG2 THR A2128 18.264 5.404 -2.604 1.00 5.11 C ATOM 0 H THR A2128 14.966 6.494 -1.220 1.00 2.82 H new ATOM 0 HA THR A2128 16.668 4.107 -0.973 1.00 3.38 H new ATOM 0 HB THR A2128 18.570 5.775 -0.526 1.00 4.34 H new ATOM 0 HG1 THR A2128 18.299 7.807 -1.677 1.00 4.91 H new ATOM 0 HG21 THR A2128 19.149 5.959 -2.916 1.00 5.11 H new ATOM 0 HG22 THR A2128 18.512 4.347 -2.511 1.00 5.11 H new ATOM 0 HG23 THR A2128 17.477 5.528 -3.348 1.00 5.11 H new ATOM 1133 N LYS A2129 16.398 6.633 1.127 1.00 2.90 N ATOM 1134 CA LYS A2129 16.234 6.993 2.523 1.00 2.79 C ATOM 1135 C LYS A2129 15.053 7.937 2.683 1.00 3.43 C ATOM 1136 O LYS A2129 14.545 8.477 1.700 1.00 3.99 O ATOM 1137 CB LYS A2129 17.525 7.623 3.063 1.00 3.05 C ATOM 1138 CG LYS A2129 18.169 8.642 2.128 1.00 3.76 C ATOM 1139 CD LYS A2129 17.460 9.988 2.157 1.00 4.33 C ATOM 1140 CE LYS A2129 17.712 10.727 3.461 1.00 4.72 C ATOM 1141 NZ LYS A2129 19.147 11.084 3.626 1.00 5.22 N ATOM 0 H LYS A2129 16.562 7.427 0.508 1.00 2.90 H new ATOM 0 HA LYS A2129 16.030 6.093 3.103 1.00 2.79 H new ATOM 0 HB2 LYS A2129 17.308 8.108 4.015 1.00 3.05 H new ATOM 0 HB3 LYS A2129 18.244 6.830 3.267 1.00 3.05 H new ATOM 0 HG2 LYS A2129 19.213 8.779 2.409 1.00 3.76 H new ATOM 0 HG3 LYS A2129 18.161 8.252 1.110 1.00 3.76 H new ATOM 0 HD2 LYS A2129 17.802 10.598 1.321 1.00 4.33 H new ATOM 0 HD3 LYS A2129 16.389 9.838 2.025 1.00 4.33 H new ATOM 0 HE2 LYS A2129 17.107 11.633 3.488 1.00 4.72 H new ATOM 0 HE3 LYS A2129 17.393 10.106 4.298 1.00 4.72 H new ATOM 0 HZ1 LYS A2129 19.237 11.842 4.332 1.00 5.22 H new ATOM 0 HZ2 LYS A2129 19.678 10.249 3.945 1.00 5.22 H new ATOM 0 HZ3 LYS A2129 19.530 11.411 2.716 1.00 5.22 H new ATOM 1155 N VAL A2130 14.613 8.129 3.910 1.00 3.76 N ATOM 1156 CA VAL A2130 13.493 9.010 4.180 1.00 4.65 C ATOM 1157 C VAL A2130 13.999 10.398 4.548 1.00 5.15 C ATOM 1158 O VAL A2130 13.883 11.313 3.710 1.00 5.63 O ATOM 1159 CB VAL A2130 12.599 8.462 5.309 1.00 5.31 C ATOM 1160 CG1 VAL A2130 11.361 9.326 5.486 1.00 5.79 C ATOM 1161 CG2 VAL A2130 12.212 7.019 5.023 1.00 5.88 C ATOM 1162 OXT VAL A2130 14.543 10.559 5.661 1.00 5.44 O ATOM 0 H VAL A2130 15.014 7.687 4.737 1.00 3.76 H new ATOM 0 HA VAL A2130 12.890 9.069 3.274 1.00 4.65 H new ATOM 0 HB VAL A2130 13.165 8.490 6.240 1.00 5.31 H new ATOM 0 HG11 VAL A2130 10.745 8.920 6.288 1.00 5.79 H new ATOM 0 HG12 VAL A2130 11.660 10.343 5.738 1.00 5.79 H new ATOM 0 HG13 VAL A2130 10.788 9.336 4.559 1.00 5.79 H new ATOM 0 HG21 VAL A2130 11.581 6.645 5.829 1.00 5.88 H new ATOM 0 HG22 VAL A2130 11.666 6.969 4.081 1.00 5.88 H new ATOM 0 HG23 VAL A2130 13.112 6.408 4.954 1.00 5.88 H new TER 1172 VAL A2130