USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 601 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: A 179 THR OG1 : rot 155:sc= 1.27 USER MOD Set 1.2: A 186 HIS : no HD1:sc= -0.92! C(o=0.35!,f=-6.7!) USER MOD Set 2.1: A 122 GLN : amide:sc= -15.9! C(o=-15!,f=-18!) USER MOD Set 2.2: A 192 LYS NZ :NH3+ 170:sc= 1.12 (180deg=-0.0905) USER MOD Single : A 123 SER OG : rot -160:sc= 0.149 USER MOD Single : A 130 LYS NZ :NH3+ -120:sc= 1.27 (180deg=-0.165) USER MOD Single : A 139 GLN :FLIP amide:sc= -1.56 F(o=-6.3!,f=-1.6) USER MOD Single : A 148 THR OG1 : rot 114:sc= 0.628 USER MOD Single : A 150 THR OG1 : rot 57:sc= 0.296 USER MOD Single : A 152 CYS SG : rot -158:sc= -2.17! USER MOD Single : A 160 GLN :FLIP amide:sc= -3.11! C(o=-6.3!,f=-3.1!) USER MOD Single : A 161 GLN : amide:sc= -0.29 K(o=-0.29,f=-2.9!) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0363) USER MOD Single : A 172 SER OG : rot -119:sc= 1.12 USER MOD Single : A 173 SER OG : rot -114:sc= -0.996 USER MOD Single : A 174 CYS SG : rot -38:sc= -2.44! USER MOD Single : A 176 LYS NZ :NH3+ -139:sc= -3.71! (180deg=-5.04!) USER MOD Single : A 178 GLN :FLIP amide:sc= -4.67! C(o=-7.1!,f=-4.7!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 188 THR OG1 : rot 99:sc= -5.44! USER MOD Single : A 191 LYS NZ :NH3+ -168:sc= -0.0247 (180deg=-0.193) USER MOD ----------------------------------------------------------------- ATOM 75 N LEU A 118 -8.723 -8.234 3.802 1.00 1.44 N ATOM 76 CA LEU A 118 -7.997 -7.506 2.763 1.00 1.29 C ATOM 77 C LEU A 118 -6.975 -8.414 2.120 1.00 0.93 C ATOM 78 O LEU A 118 -6.407 -9.270 2.793 1.00 0.99 O ATOM 79 CB LEU A 118 -7.266 -6.313 3.364 1.00 1.74 C ATOM 80 CG LEU A 118 -8.073 -5.488 4.372 1.00 2.42 C ATOM 81 CD1 LEU A 118 -7.168 -4.543 5.141 1.00 3.17 C ATOM 82 CD2 LEU A 118 -9.168 -4.706 3.663 1.00 2.96 C ATOM 0 HA LEU A 118 -8.717 -7.161 2.021 1.00 1.29 H new ATOM 0 HB2 LEU A 118 -6.362 -6.672 3.855 1.00 1.74 H new ATOM 0 HB3 LEU A 118 -6.949 -5.657 2.554 1.00 1.74 H new ATOM 0 HG LEU A 118 -8.536 -6.175 5.081 1.00 2.42 H new ATOM 0 HD11 LEU A 118 -7.762 -3.967 5.851 1.00 3.17 H new ATOM 0 HD12 LEU A 118 -6.415 -5.118 5.680 1.00 3.17 H new ATOM 0 HD13 LEU A 118 -6.676 -3.864 4.445 1.00 3.17 H new ATOM 0 HD21 LEU A 118 -9.732 -4.126 4.393 1.00 2.96 H new ATOM 0 HD22 LEU A 118 -8.720 -4.033 2.932 1.00 2.96 H new ATOM 0 HD23 LEU A 118 -9.839 -5.399 3.154 1.00 2.96 H new ATOM 94 N ASP A 119 -6.744 -8.247 0.830 1.00 0.79 N ATOM 95 CA ASP A 119 -5.790 -9.104 0.153 1.00 0.65 C ATOM 96 C ASP A 119 -4.598 -8.304 -0.346 1.00 0.56 C ATOM 97 O ASP A 119 -4.748 -7.281 -1.003 1.00 0.59 O ATOM 98 CB ASP A 119 -6.468 -9.820 -1.018 1.00 0.84 C ATOM 99 CG ASP A 119 -5.562 -10.799 -1.737 1.00 1.06 C ATOM 100 OD1 ASP A 119 -4.694 -10.351 -2.511 1.00 1.51 O ATOM 101 OD2 ASP A 119 -5.682 -12.017 -1.499 1.00 1.42 O ATOM 0 H ASP A 119 -7.192 -7.544 0.243 1.00 0.79 H new ATOM 0 HA ASP A 119 -5.429 -9.844 0.867 1.00 0.65 H new ATOM 0 HB2 ASP A 119 -7.344 -10.353 -0.649 1.00 0.84 H new ATOM 0 HB3 ASP A 119 -6.824 -9.076 -1.731 1.00 0.84 H new ATOM 106 N TRP A 120 -3.415 -8.784 -0.015 1.00 0.54 N ATOM 107 CA TRP A 120 -2.165 -8.214 -0.476 1.00 0.57 C ATOM 108 C TRP A 120 -1.297 -9.310 -1.035 1.00 0.74 C ATOM 109 O TRP A 120 -1.577 -10.497 -0.857 1.00 0.85 O ATOM 110 CB TRP A 120 -1.394 -7.573 0.672 1.00 0.65 C ATOM 111 CG TRP A 120 -2.283 -6.844 1.620 1.00 0.64 C ATOM 112 CD1 TRP A 120 -3.306 -6.015 1.290 1.00 0.60 C ATOM 113 CD2 TRP A 120 -2.252 -6.906 3.048 1.00 0.76 C ATOM 114 NE1 TRP A 120 -3.921 -5.550 2.429 1.00 0.73 N ATOM 115 CE2 TRP A 120 -3.287 -6.081 3.521 1.00 0.82 C ATOM 116 CE3 TRP A 120 -1.448 -7.577 3.973 1.00 0.88 C ATOM 117 CZ2 TRP A 120 -3.540 -5.911 4.879 1.00 0.99 C ATOM 118 CZ3 TRP A 120 -1.700 -7.407 5.320 1.00 1.02 C ATOM 119 CH2 TRP A 120 -2.739 -6.581 5.762 1.00 1.08 C ATOM 0 H TRP A 120 -3.294 -9.595 0.592 1.00 0.54 H new ATOM 0 HA TRP A 120 -2.401 -7.461 -1.228 1.00 0.57 H new ATOM 0 HB2 TRP A 120 -0.846 -8.345 1.213 1.00 0.65 H new ATOM 0 HB3 TRP A 120 -0.655 -6.882 0.268 1.00 0.65 H new ATOM 0 HD1 TRP A 120 -3.595 -5.758 0.281 1.00 0.60 H new ATOM 0 HE1 TRP A 120 -4.718 -4.914 2.456 1.00 0.73 H new ATOM 0 HE3 TRP A 120 -0.644 -8.217 3.641 1.00 0.88 H new ATOM 0 HZ2 TRP A 120 -4.340 -5.273 5.223 1.00 0.99 H new ATOM 0 HZ3 TRP A 120 -1.085 -7.920 6.044 1.00 1.02 H new ATOM 0 HH2 TRP A 120 -2.912 -6.470 6.822 1.00 1.08 H new ATOM 130 N ARG A 121 -0.253 -8.911 -1.703 1.00 0.81 N ATOM 131 CA ARG A 121 0.799 -9.818 -2.051 1.00 1.06 C ATOM 132 C ARG A 121 2.120 -9.115 -1.843 1.00 1.14 C ATOM 133 O ARG A 121 2.191 -7.881 -1.825 1.00 1.05 O ATOM 134 CB ARG A 121 0.696 -10.267 -3.490 1.00 1.20 C ATOM 135 CG ARG A 121 1.520 -9.406 -4.413 1.00 1.31 C ATOM 136 CD ARG A 121 0.756 -8.966 -5.625 1.00 1.18 C ATOM 137 NE ARG A 121 0.397 -10.077 -6.502 1.00 1.60 N ATOM 138 CZ ARG A 121 0.939 -10.273 -7.701 1.00 1.99 C ATOM 139 NH1 ARG A 121 1.898 -9.467 -8.139 1.00 2.34 N ATOM 140 NH2 ARG A 121 0.538 -11.285 -8.457 1.00 2.57 N ATOM 0 H ARG A 121 -0.109 -7.952 -2.020 1.00 0.81 H new ATOM 0 HA ARG A 121 0.720 -10.703 -1.420 1.00 1.06 H new ATOM 0 HB2 ARG A 121 1.026 -11.303 -3.571 1.00 1.20 H new ATOM 0 HB3 ARG A 121 -0.347 -10.239 -3.804 1.00 1.20 H new ATOM 0 HG2 ARG A 121 1.869 -8.528 -3.870 1.00 1.31 H new ATOM 0 HG3 ARG A 121 2.405 -9.960 -4.727 1.00 1.31 H new ATOM 0 HD2 ARG A 121 -0.151 -8.450 -5.310 1.00 1.18 H new ATOM 0 HD3 ARG A 121 1.354 -8.246 -6.184 1.00 1.18 H new ATOM 0 HE ARG A 121 -0.308 -10.739 -6.178 1.00 1.60 H new ATOM 0 HH11 ARG A 121 2.221 -8.695 -7.556 1.00 2.34 H new ATOM 0 HH12 ARG A 121 2.312 -9.620 -9.059 1.00 2.34 H new ATOM 0 HH21 ARG A 121 -0.189 -11.917 -8.120 1.00 2.57 H new ATOM 0 HH22 ARG A 121 0.956 -11.432 -9.376 1.00 2.57 H new ATOM 154 N GLN A 122 3.155 -9.884 -1.687 1.00 1.38 N ATOM 155 CA GLN A 122 4.478 -9.326 -1.598 1.00 1.54 C ATOM 156 C GLN A 122 5.475 -10.140 -2.400 1.00 1.87 C ATOM 157 O GLN A 122 5.408 -11.368 -2.452 1.00 2.08 O ATOM 158 CB GLN A 122 4.905 -9.300 -0.123 1.00 1.73 C ATOM 159 CG GLN A 122 6.285 -8.720 0.125 1.00 2.15 C ATOM 160 CD GLN A 122 6.288 -7.215 0.036 1.00 2.06 C ATOM 161 OE1 GLN A 122 7.118 -6.542 0.644 1.00 2.16 O ATOM 162 NE2 GLN A 122 5.330 -6.676 -0.689 1.00 1.91 N ATOM 0 H GLN A 122 3.113 -10.901 -1.618 1.00 1.38 H new ATOM 0 HA GLN A 122 4.460 -8.317 -2.009 1.00 1.54 H new ATOM 0 HB2 GLN A 122 4.175 -8.721 0.443 1.00 1.73 H new ATOM 0 HB3 GLN A 122 4.877 -10.317 0.268 1.00 1.73 H new ATOM 0 HG2 GLN A 122 6.635 -9.026 1.111 1.00 2.15 H new ATOM 0 HG3 GLN A 122 6.986 -9.128 -0.603 1.00 2.15 H new ATOM 0 HE21 GLN A 122 4.662 -7.273 -1.177 1.00 1.91 H new ATOM 0 HE22 GLN A 122 5.256 -5.661 -0.763 1.00 1.91 H new ATOM 171 N SER A 123 6.386 -9.437 -3.033 1.00 1.94 N ATOM 172 CA SER A 123 7.560 -10.036 -3.593 1.00 2.32 C ATOM 173 C SER A 123 8.715 -9.125 -3.216 1.00 2.43 C ATOM 174 O SER A 123 8.474 -8.016 -2.728 1.00 2.22 O ATOM 175 CB SER A 123 7.421 -10.194 -5.112 1.00 2.41 C ATOM 176 OG SER A 123 8.509 -10.920 -5.666 1.00 2.83 O ATOM 0 H SER A 123 6.326 -8.428 -3.171 1.00 1.94 H new ATOM 0 HA SER A 123 7.725 -11.042 -3.207 1.00 2.32 H new ATOM 0 HB2 SER A 123 6.487 -10.707 -5.341 1.00 2.41 H new ATOM 0 HB3 SER A 123 7.366 -9.210 -5.577 1.00 2.41 H new ATOM 0 HG SER A 123 8.564 -10.743 -6.628 1.00 2.83 H new ATOM 182 N ALA A 124 9.942 -9.535 -3.471 1.00 2.77 N ATOM 183 CA ALA A 124 11.108 -8.734 -3.108 1.00 2.93 C ATOM 184 C ALA A 124 11.105 -7.397 -3.841 1.00 2.70 C ATOM 185 O ALA A 124 11.825 -6.461 -3.498 1.00 2.77 O ATOM 186 CB ALA A 124 12.361 -9.508 -3.447 1.00 3.35 C ATOM 0 H ALA A 124 10.164 -10.419 -3.929 1.00 2.77 H new ATOM 0 HA ALA A 124 11.076 -8.528 -2.038 1.00 2.93 H new ATOM 0 HB1 ALA A 124 13.237 -8.917 -3.179 1.00 3.35 H new ATOM 0 HB2 ALA A 124 12.371 -10.445 -2.891 1.00 3.35 H new ATOM 0 HB3 ALA A 124 12.379 -9.720 -4.516 1.00 3.35 H new ATOM 192 N GLU A 125 10.250 -7.338 -4.826 1.00 2.48 N ATOM 193 CA GLU A 125 10.211 -6.277 -5.799 1.00 2.35 C ATOM 194 C GLU A 125 9.014 -5.356 -5.605 1.00 1.91 C ATOM 195 O GLU A 125 9.079 -4.173 -5.894 1.00 1.78 O ATOM 196 CB GLU A 125 10.085 -6.956 -7.140 1.00 2.56 C ATOM 197 CG GLU A 125 9.091 -8.102 -7.055 1.00 2.56 C ATOM 198 CD GLU A 125 8.808 -8.751 -8.386 1.00 2.86 C ATOM 199 OE1 GLU A 125 8.886 -9.992 -8.477 1.00 3.11 O ATOM 200 OE2 GLU A 125 8.509 -8.014 -9.351 1.00 2.98 O ATOM 0 H GLU A 125 9.537 -8.051 -4.979 1.00 2.48 H new ATOM 0 HA GLU A 125 11.105 -5.660 -5.708 1.00 2.35 H new ATOM 0 HB2 GLU A 125 9.759 -6.237 -7.891 1.00 2.56 H new ATOM 0 HB3 GLU A 125 11.057 -7.331 -7.459 1.00 2.56 H new ATOM 0 HG2 GLU A 125 9.474 -8.855 -6.367 1.00 2.56 H new ATOM 0 HG3 GLU A 125 8.156 -7.732 -6.634 1.00 2.56 H new ATOM 207 N GLU A 126 7.919 -5.899 -5.113 1.00 1.72 N ATOM 208 CA GLU A 126 6.650 -5.214 -5.196 1.00 1.33 C ATOM 209 C GLU A 126 5.901 -5.354 -3.919 1.00 1.27 C ATOM 210 O GLU A 126 5.964 -6.398 -3.268 1.00 1.55 O ATOM 211 CB GLU A 126 5.824 -5.825 -6.323 1.00 1.42 C ATOM 212 CG GLU A 126 5.726 -7.331 -6.189 1.00 1.81 C ATOM 213 CD GLU A 126 4.645 -7.944 -7.055 1.00 1.94 C ATOM 214 OE1 GLU A 126 3.468 -7.560 -6.920 1.00 2.06 O ATOM 215 OE2 GLU A 126 4.969 -8.826 -7.874 1.00 2.15 O ATOM 0 H GLU A 126 7.884 -6.809 -4.654 1.00 1.72 H new ATOM 0 HA GLU A 126 6.832 -4.157 -5.389 1.00 1.33 H new ATOM 0 HB2 GLU A 126 4.823 -5.393 -6.317 1.00 1.42 H new ATOM 0 HB3 GLU A 126 6.275 -5.573 -7.283 1.00 1.42 H new ATOM 0 HG2 GLU A 126 6.686 -7.775 -6.452 1.00 1.81 H new ATOM 0 HG3 GLU A 126 5.532 -7.584 -5.146 1.00 1.81 H new ATOM 222 N VAL A 127 5.193 -4.312 -3.552 1.00 0.96 N ATOM 223 CA VAL A 127 4.239 -4.453 -2.489 1.00 0.93 C ATOM 224 C VAL A 127 2.856 -4.166 -3.025 1.00 0.66 C ATOM 225 O VAL A 127 2.572 -3.054 -3.462 1.00 0.53 O ATOM 226 CB VAL A 127 4.511 -3.521 -1.288 1.00 1.08 C ATOM 227 CG1 VAL A 127 3.488 -3.761 -0.183 1.00 1.31 C ATOM 228 CG2 VAL A 127 5.927 -3.694 -0.759 1.00 1.53 C ATOM 0 H VAL A 127 5.259 -3.381 -3.964 1.00 0.96 H new ATOM 0 HA VAL A 127 4.325 -5.477 -2.124 1.00 0.93 H new ATOM 0 HB VAL A 127 4.413 -2.492 -1.635 1.00 1.08 H new ATOM 0 HG11 VAL A 127 3.695 -3.096 0.655 1.00 1.31 H new ATOM 0 HG12 VAL A 127 2.487 -3.563 -0.565 1.00 1.31 H new ATOM 0 HG13 VAL A 127 3.550 -4.796 0.152 1.00 1.31 H new ATOM 0 HG21 VAL A 127 6.084 -3.023 0.086 1.00 1.53 H new ATOM 0 HG22 VAL A 127 6.071 -4.725 -0.435 1.00 1.53 H new ATOM 0 HG23 VAL A 127 6.641 -3.458 -1.548 1.00 1.53 H new ATOM 238 N ILE A 128 2.001 -5.165 -2.983 1.00 0.64 N ATOM 239 CA ILE A 128 0.653 -5.016 -3.478 1.00 0.48 C ATOM 240 C ILE A 128 -0.335 -5.207 -2.373 1.00 0.46 C ATOM 241 O ILE A 128 -0.414 -6.268 -1.782 1.00 0.56 O ATOM 242 CB ILE A 128 0.337 -5.996 -4.617 1.00 0.56 C ATOM 243 CG1 ILE A 128 1.264 -5.713 -5.789 1.00 0.64 C ATOM 244 CG2 ILE A 128 -1.118 -5.854 -5.029 1.00 0.55 C ATOM 245 CD1 ILE A 128 1.398 -4.244 -6.045 1.00 0.55 C ATOM 0 H ILE A 128 2.217 -6.090 -2.610 1.00 0.64 H new ATOM 0 HA ILE A 128 0.575 -4.004 -3.874 1.00 0.48 H new ATOM 0 HB ILE A 128 0.496 -7.021 -4.282 1.00 0.56 H new ATOM 0 HG12 ILE A 128 2.247 -6.139 -5.587 1.00 0.64 H new ATOM 0 HG13 ILE A 128 0.881 -6.205 -6.683 1.00 0.64 H new ATOM 0 HG21 ILE A 128 -1.337 -6.552 -5.837 1.00 0.55 H new ATOM 0 HG22 ILE A 128 -1.761 -6.073 -4.176 1.00 0.55 H new ATOM 0 HG23 ILE A 128 -1.302 -4.835 -5.369 1.00 0.55 H new ATOM 0 HD11 ILE A 128 2.068 -4.081 -6.889 1.00 0.55 H new ATOM 0 HD12 ILE A 128 0.418 -3.824 -6.273 1.00 0.55 H new ATOM 0 HD13 ILE A 128 1.805 -3.756 -5.160 1.00 0.55 H new ATOM 257 N VAL A 129 -1.075 -4.168 -2.101 1.00 0.39 N ATOM 258 CA VAL A 129 -2.112 -4.224 -1.101 1.00 0.42 C ATOM 259 C VAL A 129 -3.424 -3.764 -1.726 1.00 0.36 C ATOM 260 O VAL A 129 -3.517 -2.662 -2.267 1.00 0.37 O ATOM 261 CB VAL A 129 -1.712 -3.357 0.123 1.00 0.52 C ATOM 262 CG1 VAL A 129 -1.029 -2.105 -0.343 1.00 0.73 C ATOM 263 CG2 VAL A 129 -2.899 -2.988 0.991 1.00 0.79 C ATOM 0 H VAL A 129 -0.980 -3.263 -2.561 1.00 0.39 H new ATOM 0 HA VAL A 129 -2.244 -5.245 -0.743 1.00 0.42 H new ATOM 0 HB VAL A 129 -1.036 -3.957 0.731 1.00 0.52 H new ATOM 0 HG11 VAL A 129 -0.750 -1.500 0.520 1.00 0.73 H new ATOM 0 HG12 VAL A 129 -0.134 -2.367 -0.907 1.00 0.73 H new ATOM 0 HG13 VAL A 129 -1.706 -1.537 -0.981 1.00 0.73 H new ATOM 0 HG21 VAL A 129 -2.561 -2.382 1.832 1.00 0.79 H new ATOM 0 HG22 VAL A 129 -3.619 -2.421 0.401 1.00 0.79 H new ATOM 0 HG23 VAL A 129 -3.372 -3.896 1.365 1.00 0.79 H new ATOM 273 N LYS A 130 -4.417 -4.636 -1.700 1.00 0.36 N ATOM 274 CA LYS A 130 -5.718 -4.314 -2.211 1.00 0.33 C ATOM 275 C LYS A 130 -6.769 -4.443 -1.128 1.00 0.37 C ATOM 276 O LYS A 130 -6.860 -5.452 -0.423 1.00 0.43 O ATOM 277 CB LYS A 130 -6.092 -5.103 -3.483 1.00 0.37 C ATOM 278 CG LYS A 130 -5.334 -6.396 -3.716 1.00 0.83 C ATOM 279 CD LYS A 130 -5.599 -6.917 -5.122 1.00 1.18 C ATOM 280 CE LYS A 130 -4.977 -8.284 -5.369 1.00 1.57 C ATOM 281 NZ LYS A 130 -5.743 -9.379 -4.718 1.00 1.50 N ATOM 0 H LYS A 130 -4.335 -5.580 -1.324 1.00 0.36 H new ATOM 0 HA LYS A 130 -5.681 -3.271 -2.525 1.00 0.33 H new ATOM 0 HB2 LYS A 130 -7.157 -5.333 -3.443 1.00 0.37 H new ATOM 0 HB3 LYS A 130 -5.938 -4.455 -4.346 1.00 0.37 H new ATOM 0 HG2 LYS A 130 -4.266 -6.229 -3.578 1.00 0.83 H new ATOM 0 HG3 LYS A 130 -5.638 -7.141 -2.981 1.00 0.83 H new ATOM 0 HD2 LYS A 130 -6.675 -6.977 -5.286 1.00 1.18 H new ATOM 0 HD3 LYS A 130 -5.205 -6.206 -5.849 1.00 1.18 H new ATOM 0 HE2 LYS A 130 -4.925 -8.468 -6.442 1.00 1.57 H new ATOM 0 HE3 LYS A 130 -3.953 -8.288 -4.995 1.00 1.57 H new ATOM 0 HZ1 LYS A 130 -5.131 -9.875 -4.039 1.00 1.50 H new ATOM 0 HZ2 LYS A 130 -6.563 -8.980 -4.218 1.00 1.50 H new ATOM 0 HZ3 LYS A 130 -6.072 -10.050 -5.441 1.00 1.50 H new ATOM 295 N LEU A 131 -7.557 -3.398 -1.009 1.00 0.38 N ATOM 296 CA LEU A 131 -8.368 -3.175 0.158 1.00 0.47 C ATOM 297 C LEU A 131 -9.830 -2.988 -0.232 1.00 0.45 C ATOM 298 O LEU A 131 -10.126 -2.409 -1.269 1.00 0.41 O ATOM 299 CB LEU A 131 -7.812 -1.951 0.873 1.00 0.51 C ATOM 300 CG LEU A 131 -6.310 -2.036 1.176 1.00 0.60 C ATOM 301 CD1 LEU A 131 -5.617 -0.739 0.800 1.00 0.72 C ATOM 302 CD2 LEU A 131 -6.073 -2.357 2.641 1.00 0.96 C ATOM 0 H LEU A 131 -7.651 -2.678 -1.725 1.00 0.38 H new ATOM 0 HA LEU A 131 -8.335 -4.036 0.825 1.00 0.47 H new ATOM 0 HB2 LEU A 131 -8.000 -1.069 0.261 1.00 0.51 H new ATOM 0 HB3 LEU A 131 -8.354 -1.812 1.808 1.00 0.51 H new ATOM 0 HG LEU A 131 -5.887 -2.842 0.576 1.00 0.60 H new ATOM 0 HD11 LEU A 131 -4.553 -0.818 1.022 1.00 0.72 H new ATOM 0 HD12 LEU A 131 -5.753 -0.549 -0.265 1.00 0.72 H new ATOM 0 HD13 LEU A 131 -6.047 0.083 1.373 1.00 0.72 H new ATOM 0 HD21 LEU A 131 -5.001 -2.412 2.833 1.00 0.96 H new ATOM 0 HD22 LEU A 131 -6.513 -1.575 3.260 1.00 0.96 H new ATOM 0 HD23 LEU A 131 -6.535 -3.314 2.883 1.00 0.96 H new ATOM 314 N ARG A 132 -10.735 -3.521 0.573 1.00 0.57 N ATOM 315 CA ARG A 132 -12.163 -3.425 0.298 1.00 0.63 C ATOM 316 C ARG A 132 -12.784 -2.262 1.065 1.00 0.60 C ATOM 317 O ARG A 132 -12.431 -2.005 2.217 1.00 0.67 O ATOM 318 CB ARG A 132 -12.896 -4.736 0.604 1.00 0.85 C ATOM 319 CG ARG A 132 -12.877 -5.156 2.065 1.00 1.32 C ATOM 320 CD ARG A 132 -13.707 -6.416 2.270 1.00 1.84 C ATOM 321 NE ARG A 132 -13.706 -6.869 3.657 1.00 2.53 N ATOM 322 CZ ARG A 132 -14.132 -8.071 4.047 1.00 3.25 C ATOM 323 NH1 ARG A 132 -14.635 -8.928 3.166 1.00 3.46 N ATOM 324 NH2 ARG A 132 -14.077 -8.407 5.325 1.00 4.13 N ATOM 0 H ARG A 132 -10.506 -4.028 1.428 1.00 0.57 H new ATOM 0 HA ARG A 132 -12.276 -3.235 -0.769 1.00 0.63 H new ATOM 0 HB2 ARG A 132 -13.933 -4.639 0.283 1.00 0.85 H new ATOM 0 HB3 ARG A 132 -12.451 -5.532 0.007 1.00 0.85 H new ATOM 0 HG2 ARG A 132 -11.850 -5.334 2.385 1.00 1.32 H new ATOM 0 HG3 ARG A 132 -13.269 -4.350 2.686 1.00 1.32 H new ATOM 0 HD2 ARG A 132 -14.733 -6.226 1.954 1.00 1.84 H new ATOM 0 HD3 ARG A 132 -13.319 -7.210 1.632 1.00 1.84 H new ATOM 0 HE ARG A 132 -13.359 -6.228 4.371 1.00 2.53 H new ATOM 0 HH11 ARG A 132 -14.698 -8.669 2.181 1.00 3.46 H new ATOM 0 HH12 ARG A 132 -14.958 -9.845 3.474 1.00 3.46 H new ATOM 0 HH21 ARG A 132 -13.709 -7.747 6.010 1.00 4.13 H new ATOM 0 HH22 ARG A 132 -14.402 -9.326 5.625 1.00 4.13 H new ATOM 338 N VAL A 133 -13.694 -1.552 0.407 1.00 0.60 N ATOM 339 CA VAL A 133 -14.234 -0.304 0.935 1.00 0.57 C ATOM 340 C VAL A 133 -15.509 -0.546 1.729 1.00 0.81 C ATOM 341 O VAL A 133 -16.461 -1.151 1.238 1.00 0.99 O ATOM 342 CB VAL A 133 -14.570 0.681 -0.209 1.00 0.62 C ATOM 343 CG1 VAL A 133 -15.229 1.937 0.329 1.00 0.81 C ATOM 344 CG2 VAL A 133 -13.330 1.047 -0.989 1.00 0.99 C ATOM 0 H VAL A 133 -14.076 -1.822 -0.500 1.00 0.60 H new ATOM 0 HA VAL A 133 -13.467 0.119 1.584 1.00 0.57 H new ATOM 0 HB VAL A 133 -15.269 0.179 -0.878 1.00 0.62 H new ATOM 0 HG11 VAL A 133 -15.454 2.612 -0.497 1.00 0.81 H new ATOM 0 HG12 VAL A 133 -16.153 1.672 0.843 1.00 0.81 H new ATOM 0 HG13 VAL A 133 -14.554 2.431 1.028 1.00 0.81 H new ATOM 0 HG21 VAL A 133 -13.594 1.741 -1.787 1.00 0.99 H new ATOM 0 HG22 VAL A 133 -12.607 1.518 -0.323 1.00 0.99 H new ATOM 0 HG23 VAL A 133 -12.893 0.147 -1.420 1.00 0.99 H new ATOM 354 N GLY A 134 -15.500 -0.073 2.969 1.00 0.96 N ATOM 355 CA GLY A 134 -16.661 -0.175 3.824 1.00 1.24 C ATOM 356 C GLY A 134 -17.279 1.169 4.100 1.00 1.32 C ATOM 357 O GLY A 134 -18.250 1.267 4.848 1.00 1.54 O ATOM 0 H GLY A 134 -14.697 0.385 3.400 1.00 0.96 H new ATOM 0 HA2 GLY A 134 -17.400 -0.824 3.355 1.00 1.24 H new ATOM 0 HA3 GLY A 134 -16.377 -0.644 4.766 1.00 1.24 H new ATOM 361 N VAL A 135 -16.727 2.213 3.502 1.00 1.26 N ATOM 362 CA VAL A 135 -17.193 3.551 3.781 1.00 1.46 C ATOM 363 C VAL A 135 -18.299 3.948 2.794 1.00 1.62 C ATOM 364 O VAL A 135 -18.697 5.110 2.695 1.00 2.18 O ATOM 365 CB VAL A 135 -16.023 4.558 3.747 1.00 1.46 C ATOM 366 CG1 VAL A 135 -15.489 4.728 2.335 1.00 1.28 C ATOM 367 CG2 VAL A 135 -16.417 5.899 4.353 1.00 1.79 C ATOM 0 H VAL A 135 -15.964 2.156 2.828 1.00 1.26 H new ATOM 0 HA VAL A 135 -17.614 3.569 4.786 1.00 1.46 H new ATOM 0 HB VAL A 135 -15.221 4.148 4.361 1.00 1.46 H new ATOM 0 HG11 VAL A 135 -14.666 5.443 2.341 1.00 1.28 H new ATOM 0 HG12 VAL A 135 -15.133 3.767 1.963 1.00 1.28 H new ATOM 0 HG13 VAL A 135 -16.284 5.096 1.687 1.00 1.28 H new ATOM 0 HG21 VAL A 135 -15.568 6.581 4.311 1.00 1.79 H new ATOM 0 HG22 VAL A 135 -17.250 6.322 3.791 1.00 1.79 H new ATOM 0 HG23 VAL A 135 -16.716 5.755 5.391 1.00 1.79 H new ATOM 377 N GLY A 136 -18.803 2.954 2.077 1.00 1.55 N ATOM 378 CA GLY A 136 -19.802 3.199 1.062 1.00 1.67 C ATOM 379 C GLY A 136 -19.191 3.143 -0.320 1.00 1.53 C ATOM 380 O GLY A 136 -18.438 2.214 -0.622 1.00 1.55 O ATOM 0 H GLY A 136 -18.534 1.976 2.183 1.00 1.55 H new ATOM 0 HA2 GLY A 136 -20.598 2.458 1.143 1.00 1.67 H new ATOM 0 HA3 GLY A 136 -20.258 4.176 1.223 1.00 1.67 H new ATOM 384 N PRO A 137 -19.495 4.113 -1.190 1.00 1.48 N ATOM 385 CA PRO A 137 -18.854 4.223 -2.493 1.00 1.43 C ATOM 386 C PRO A 137 -17.452 4.789 -2.383 1.00 1.16 C ATOM 387 O PRO A 137 -17.217 5.802 -1.723 1.00 1.06 O ATOM 388 CB PRO A 137 -19.767 5.173 -3.284 1.00 1.57 C ATOM 389 CG PRO A 137 -20.941 5.449 -2.396 1.00 1.71 C ATOM 390 CD PRO A 137 -20.491 5.165 -0.993 1.00 1.57 C ATOM 0 HA PRO A 137 -18.738 3.251 -2.973 1.00 1.43 H new ATOM 0 HB2 PRO A 137 -19.244 6.095 -3.538 1.00 1.57 H new ATOM 0 HB3 PRO A 137 -20.085 4.718 -4.222 1.00 1.57 H new ATOM 0 HG2 PRO A 137 -21.268 6.484 -2.496 1.00 1.71 H new ATOM 0 HG3 PRO A 137 -21.788 4.819 -2.666 1.00 1.71 H new ATOM 0 HD2 PRO A 137 -20.062 6.047 -0.518 1.00 1.57 H new ATOM 0 HD3 PRO A 137 -21.315 4.832 -0.362 1.00 1.57 H new ATOM 398 N LEU A 138 -16.526 4.115 -3.032 1.00 1.15 N ATOM 399 CA LEU A 138 -15.156 4.529 -3.056 1.00 0.96 C ATOM 400 C LEU A 138 -14.985 5.730 -3.955 1.00 0.97 C ATOM 401 O LEU A 138 -15.249 5.692 -5.158 1.00 1.14 O ATOM 402 CB LEU A 138 -14.325 3.349 -3.524 1.00 1.06 C ATOM 403 CG LEU A 138 -12.891 3.621 -3.978 1.00 0.85 C ATOM 404 CD1 LEU A 138 -12.126 4.428 -2.947 1.00 0.80 C ATOM 405 CD2 LEU A 138 -12.182 2.304 -4.247 1.00 1.69 C ATOM 0 H LEU A 138 -16.713 3.261 -3.558 1.00 1.15 H new ATOM 0 HA LEU A 138 -14.825 4.833 -2.063 1.00 0.96 H new ATOM 0 HB2 LEU A 138 -14.287 2.623 -2.712 1.00 1.06 H new ATOM 0 HB3 LEU A 138 -14.853 2.874 -4.351 1.00 1.06 H new ATOM 0 HG LEU A 138 -12.929 4.209 -4.895 1.00 0.85 H new ATOM 0 HD11 LEU A 138 -11.111 4.603 -3.302 1.00 0.80 H new ATOM 0 HD12 LEU A 138 -12.625 5.384 -2.790 1.00 0.80 H new ATOM 0 HD13 LEU A 138 -12.092 3.878 -2.007 1.00 0.80 H new ATOM 0 HD21 LEU A 138 -11.160 2.501 -4.571 1.00 1.69 H new ATOM 0 HD22 LEU A 138 -12.166 1.707 -3.335 1.00 1.69 H new ATOM 0 HD23 LEU A 138 -12.711 1.759 -5.028 1.00 1.69 H new ATOM 417 N GLN A 139 -14.558 6.791 -3.331 1.00 0.83 N ATOM 418 CA GLN A 139 -14.250 8.027 -3.987 1.00 0.88 C ATOM 419 C GLN A 139 -12.793 8.332 -3.712 1.00 0.75 C ATOM 420 O GLN A 139 -12.234 7.750 -2.787 1.00 0.66 O ATOM 421 CB GLN A 139 -15.176 9.149 -3.509 1.00 0.96 C ATOM 422 CG GLN A 139 -14.968 9.567 -2.063 1.00 0.86 C ATOM 423 CD GLN A 139 -15.488 8.545 -1.056 1.00 0.89 C ATOM 424 OE1 GLN A 139 -14.641 7.611 -0.636 1.00 1.11 O flip ATOM 425 NE2 GLN A 139 -16.647 8.602 -0.654 1.00 0.93 N flip ATOM 0 H GLN A 139 -14.411 6.819 -2.322 1.00 0.83 H new ATOM 0 HA GLN A 139 -14.411 7.946 -5.062 1.00 0.88 H new ATOM 0 HB2 GLN A 139 -15.032 10.019 -4.149 1.00 0.96 H new ATOM 0 HB3 GLN A 139 -16.210 8.828 -3.636 1.00 0.96 H new ATOM 0 HG2 GLN A 139 -13.904 9.729 -1.889 1.00 0.86 H new ATOM 0 HG3 GLN A 139 -15.468 10.521 -1.893 1.00 0.86 H new ATOM 0 HE21 GLN A 139 -17.271 9.332 -0.997 1.00 0.93 H new ATOM 0 HE22 GLN A 139 -16.986 7.919 0.023 1.00 0.93 H new ATOM 434 N LEU A 140 -12.178 9.189 -4.504 1.00 0.83 N ATOM 435 CA LEU A 140 -10.728 9.398 -4.446 1.00 0.79 C ATOM 436 C LEU A 140 -10.273 9.662 -3.004 1.00 0.65 C ATOM 437 O LEU A 140 -9.182 9.259 -2.600 1.00 0.70 O ATOM 438 CB LEU A 140 -10.347 10.575 -5.361 1.00 0.98 C ATOM 439 CG LEU A 140 -8.913 10.581 -5.905 1.00 1.73 C ATOM 440 CD1 LEU A 140 -7.902 10.984 -4.839 1.00 2.38 C ATOM 441 CD2 LEU A 140 -8.584 9.214 -6.458 1.00 2.60 C ATOM 0 H LEU A 140 -12.656 9.759 -5.202 1.00 0.83 H new ATOM 0 HA LEU A 140 -10.223 8.496 -4.792 1.00 0.79 H new ATOM 0 HB2 LEU A 140 -11.033 10.585 -6.208 1.00 0.98 H new ATOM 0 HB3 LEU A 140 -10.507 11.502 -4.810 1.00 0.98 H new ATOM 0 HG LEU A 140 -8.851 11.325 -6.700 1.00 1.73 H new ATOM 0 HD11 LEU A 140 -6.899 10.975 -5.267 1.00 2.38 H new ATOM 0 HD12 LEU A 140 -8.134 11.986 -4.478 1.00 2.38 H new ATOM 0 HD13 LEU A 140 -7.948 10.279 -4.009 1.00 2.38 H new ATOM 0 HD21 LEU A 140 -7.565 9.214 -6.846 1.00 2.60 H new ATOM 0 HD22 LEU A 140 -8.671 8.470 -5.666 1.00 2.60 H new ATOM 0 HD23 LEU A 140 -9.278 8.970 -7.262 1.00 2.60 H new ATOM 453 N GLU A 141 -11.152 10.279 -2.225 1.00 0.63 N ATOM 454 CA GLU A 141 -10.857 10.643 -0.847 1.00 0.64 C ATOM 455 C GLU A 141 -10.682 9.428 0.073 1.00 0.59 C ATOM 456 O GLU A 141 -10.221 9.565 1.206 1.00 0.70 O ATOM 457 CB GLU A 141 -11.963 11.525 -0.309 1.00 0.78 C ATOM 458 CG GLU A 141 -13.122 10.756 0.249 1.00 1.06 C ATOM 459 CD GLU A 141 -14.225 11.661 0.759 1.00 1.78 C ATOM 460 OE1 GLU A 141 -15.060 12.112 -0.054 1.00 2.58 O ATOM 461 OE2 GLU A 141 -14.249 11.941 1.976 1.00 2.05 O ATOM 0 H GLU A 141 -12.089 10.541 -2.531 1.00 0.63 H new ATOM 0 HA GLU A 141 -9.906 11.176 -0.857 1.00 0.64 H new ATOM 0 HB2 GLU A 141 -11.556 12.170 0.470 1.00 0.78 H new ATOM 0 HB3 GLU A 141 -12.319 12.175 -1.108 1.00 0.78 H new ATOM 0 HG2 GLU A 141 -13.523 10.098 -0.522 1.00 1.06 H new ATOM 0 HG3 GLU A 141 -12.774 10.119 1.062 1.00 1.06 H new ATOM 468 N ASP A 142 -11.044 8.249 -0.412 1.00 0.51 N ATOM 469 CA ASP A 142 -10.975 7.050 0.405 1.00 0.51 C ATOM 470 C ASP A 142 -9.586 6.456 0.389 1.00 0.50 C ATOM 471 O ASP A 142 -9.267 5.570 1.172 1.00 0.56 O ATOM 472 CB ASP A 142 -11.993 6.014 -0.065 1.00 0.57 C ATOM 473 CG ASP A 142 -11.865 4.667 0.632 1.00 1.64 C ATOM 474 OD1 ASP A 142 -12.202 4.580 1.826 1.00 2.37 O ATOM 475 OD2 ASP A 142 -11.415 3.699 -0.014 1.00 2.39 O ATOM 0 H ASP A 142 -11.386 8.099 -1.361 1.00 0.51 H new ATOM 0 HA ASP A 142 -11.213 7.336 1.429 1.00 0.51 H new ATOM 0 HB2 ASP A 142 -12.997 6.404 0.100 1.00 0.57 H new ATOM 0 HB3 ASP A 142 -11.880 5.869 -1.139 1.00 0.57 H new ATOM 480 N VAL A 143 -8.731 6.962 -0.471 1.00 0.49 N ATOM 481 CA VAL A 143 -7.331 6.660 -0.336 1.00 0.47 C ATOM 482 C VAL A 143 -6.515 7.929 -0.251 1.00 0.47 C ATOM 483 O VAL A 143 -6.489 8.719 -1.196 1.00 0.59 O ATOM 484 CB VAL A 143 -6.774 5.783 -1.467 1.00 0.55 C ATOM 485 CG1 VAL A 143 -5.452 5.169 -1.026 1.00 0.53 C ATOM 486 CG2 VAL A 143 -7.760 4.702 -1.846 1.00 0.65 C ATOM 0 H VAL A 143 -8.975 7.570 -1.253 1.00 0.49 H new ATOM 0 HA VAL A 143 -7.247 6.088 0.588 1.00 0.47 H new ATOM 0 HB VAL A 143 -6.607 6.404 -2.347 1.00 0.55 H new ATOM 0 HG11 VAL A 143 -5.055 4.546 -1.827 1.00 0.53 H new ATOM 0 HG12 VAL A 143 -4.741 5.963 -0.797 1.00 0.53 H new ATOM 0 HG13 VAL A 143 -5.613 4.558 -0.138 1.00 0.53 H new ATOM 0 HG21 VAL A 143 -7.343 4.094 -2.649 1.00 0.65 H new ATOM 0 HG22 VAL A 143 -7.959 4.071 -0.980 1.00 0.65 H new ATOM 0 HG23 VAL A 143 -8.690 5.160 -2.183 1.00 0.65 H new ATOM 496 N ASP A 144 -5.834 8.128 0.858 1.00 0.40 N ATOM 497 CA ASP A 144 -4.808 9.140 0.893 1.00 0.41 C ATOM 498 C ASP A 144 -3.466 8.447 0.895 1.00 0.33 C ATOM 499 O ASP A 144 -3.026 7.899 1.894 1.00 0.33 O ATOM 500 CB ASP A 144 -4.945 10.069 2.096 1.00 0.47 C ATOM 501 CG ASP A 144 -3.781 11.032 2.211 1.00 0.91 C ATOM 502 OD1 ASP A 144 -3.608 11.876 1.309 1.00 1.11 O ATOM 503 OD2 ASP A 144 -3.040 10.951 3.212 1.00 1.52 O ATOM 0 H ASP A 144 -5.970 7.613 1.728 1.00 0.40 H new ATOM 0 HA ASP A 144 -4.908 9.775 0.013 1.00 0.41 H new ATOM 0 HB2 ASP A 144 -5.874 10.633 2.013 1.00 0.47 H new ATOM 0 HB3 ASP A 144 -5.013 9.474 3.007 1.00 0.47 H new ATOM 508 N ALA A 145 -2.816 8.437 -0.230 1.00 0.38 N ATOM 509 CA ALA A 145 -1.568 7.747 -0.319 1.00 0.36 C ATOM 510 C ALA A 145 -0.452 8.759 -0.300 1.00 0.39 C ATOM 511 O ALA A 145 -0.371 9.621 -1.169 1.00 0.47 O ATOM 512 CB ALA A 145 -1.511 6.892 -1.575 1.00 0.48 C ATOM 0 H ALA A 145 -3.125 8.893 -1.088 1.00 0.38 H new ATOM 0 HA ALA A 145 -1.460 7.075 0.533 1.00 0.36 H new ATOM 0 HB1 ALA A 145 -0.552 6.376 -1.621 1.00 0.48 H new ATOM 0 HB2 ALA A 145 -2.317 6.158 -1.552 1.00 0.48 H new ATOM 0 HB3 ALA A 145 -1.624 7.528 -2.453 1.00 0.48 H new ATOM 518 N ALA A 146 0.406 8.657 0.687 1.00 0.38 N ATOM 519 CA ALA A 146 1.521 9.566 0.779 1.00 0.49 C ATOM 520 C ALA A 146 2.730 8.835 0.276 1.00 0.48 C ATOM 521 O ALA A 146 2.770 7.618 0.325 1.00 0.66 O ATOM 522 CB ALA A 146 1.720 10.063 2.203 1.00 0.56 C ATOM 0 H ALA A 146 0.354 7.961 1.430 1.00 0.38 H new ATOM 0 HA ALA A 146 1.337 10.455 0.176 1.00 0.49 H new ATOM 0 HB1 ALA A 146 2.569 10.746 2.235 1.00 0.56 H new ATOM 0 HB2 ALA A 146 0.822 10.584 2.535 1.00 0.56 H new ATOM 0 HB3 ALA A 146 1.912 9.215 2.861 1.00 0.56 H new ATOM 528 N PHE A 147 3.642 9.514 -0.334 1.00 0.57 N ATOM 529 CA PHE A 147 4.841 8.853 -0.756 1.00 0.59 C ATOM 530 C PHE A 147 6.044 9.751 -0.518 1.00 0.68 C ATOM 531 O PHE A 147 5.973 10.967 -0.716 1.00 0.94 O ATOM 532 CB PHE A 147 4.679 8.399 -2.202 1.00 0.82 C ATOM 533 CG PHE A 147 4.619 9.540 -3.162 1.00 2.08 C ATOM 534 CD1 PHE A 147 5.780 10.122 -3.576 1.00 2.46 C ATOM 535 CD2 PHE A 147 3.411 10.031 -3.626 1.00 3.01 C ATOM 536 CE1 PHE A 147 5.768 11.191 -4.453 1.00 3.72 C ATOM 537 CE2 PHE A 147 3.381 11.097 -4.505 1.00 4.26 C ATOM 538 CZ PHE A 147 4.564 11.679 -4.921 1.00 4.62 C ATOM 0 H PHE A 147 3.588 10.509 -0.551 1.00 0.57 H new ATOM 0 HA PHE A 147 5.021 7.956 -0.164 1.00 0.59 H new ATOM 0 HB2 PHE A 147 5.512 7.748 -2.469 1.00 0.82 H new ATOM 0 HB3 PHE A 147 3.769 7.806 -2.292 1.00 0.82 H new ATOM 0 HD1 PHE A 147 6.724 9.742 -3.213 1.00 2.46 H new ATOM 0 HD2 PHE A 147 2.486 9.578 -3.299 1.00 3.01 H new ATOM 0 HE1 PHE A 147 6.696 11.642 -4.771 1.00 3.72 H new ATOM 0 HE2 PHE A 147 2.436 11.474 -4.866 1.00 4.26 H new ATOM 0 HZ PHE A 147 4.547 12.511 -5.609 1.00 4.62 H new ATOM 548 N THR A 148 7.121 9.165 -0.051 1.00 0.54 N ATOM 549 CA THR A 148 8.335 9.896 0.206 1.00 0.64 C ATOM 550 C THR A 148 9.522 9.192 -0.413 1.00 0.71 C ATOM 551 O THR A 148 9.429 8.031 -0.791 1.00 0.74 O ATOM 552 CB THR A 148 8.602 9.989 1.698 1.00 0.56 C ATOM 553 OG1 THR A 148 7.374 10.056 2.437 1.00 0.65 O ATOM 554 CG2 THR A 148 9.441 11.202 1.984 1.00 0.81 C ATOM 0 H THR A 148 7.178 8.169 0.161 1.00 0.54 H new ATOM 0 HA THR A 148 8.207 10.889 -0.224 1.00 0.64 H new ATOM 0 HB THR A 148 9.137 9.093 2.011 1.00 0.56 H new ATOM 0 HG1 THR A 148 7.273 9.245 2.977 1.00 0.65 H new ATOM 0 HG21 THR A 148 9.632 11.268 3.055 1.00 0.81 H new ATOM 0 HG22 THR A 148 10.388 11.123 1.451 1.00 0.81 H new ATOM 0 HG23 THR A 148 8.912 12.096 1.654 1.00 0.81 H new ATOM 562 N ASP A 149 10.660 9.875 -0.419 1.00 0.84 N ATOM 563 CA ASP A 149 11.877 9.335 -0.985 1.00 0.98 C ATOM 564 C ASP A 149 12.443 8.272 -0.104 1.00 0.79 C ATOM 565 O ASP A 149 13.435 7.633 -0.441 1.00 0.92 O ATOM 566 CB ASP A 149 12.943 10.399 -1.188 1.00 1.23 C ATOM 567 CG ASP A 149 12.640 11.327 -2.342 1.00 1.87 C ATOM 568 OD1 ASP A 149 11.893 12.304 -2.151 1.00 2.28 O ATOM 569 OD2 ASP A 149 13.149 11.076 -3.458 1.00 2.17 O ATOM 0 H ASP A 149 10.759 10.814 -0.032 1.00 0.84 H new ATOM 0 HA ASP A 149 11.603 8.922 -1.956 1.00 0.98 H new ATOM 0 HB2 ASP A 149 13.042 10.985 -0.274 1.00 1.23 H new ATOM 0 HB3 ASP A 149 13.904 9.914 -1.362 1.00 1.23 H new ATOM 574 N THR A 150 11.868 8.128 1.051 1.00 0.56 N ATOM 575 CA THR A 150 12.326 7.122 1.939 1.00 0.54 C ATOM 576 C THR A 150 11.200 6.206 2.373 1.00 0.64 C ATOM 577 O THR A 150 11.439 5.145 2.890 1.00 0.88 O ATOM 578 CB THR A 150 13.028 7.761 3.139 1.00 0.53 C ATOM 579 OG1 THR A 150 12.157 8.713 3.770 1.00 0.67 O ATOM 580 CG2 THR A 150 14.290 8.454 2.662 1.00 0.59 C ATOM 0 H THR A 150 11.089 8.691 1.392 1.00 0.56 H new ATOM 0 HA THR A 150 13.049 6.500 1.410 1.00 0.54 H new ATOM 0 HB THR A 150 13.284 6.989 3.864 1.00 0.53 H new ATOM 0 HG1 THR A 150 11.324 8.270 4.033 1.00 0.67 H new ATOM 0 HG21 THR A 150 14.797 8.912 3.511 1.00 0.59 H new ATOM 0 HG22 THR A 150 14.952 7.724 2.195 1.00 0.59 H new ATOM 0 HG23 THR A 150 14.030 9.224 1.936 1.00 0.59 H new ATOM 588 N ASP A 151 9.970 6.575 2.102 1.00 0.55 N ATOM 589 CA ASP A 151 8.846 5.823 2.632 1.00 0.63 C ATOM 590 C ASP A 151 7.609 6.127 1.835 1.00 0.57 C ATOM 591 O ASP A 151 7.649 6.957 0.956 1.00 0.54 O ATOM 592 CB ASP A 151 8.615 6.162 4.110 1.00 0.71 C ATOM 593 CG ASP A 151 8.343 7.636 4.333 1.00 0.79 C ATOM 594 OD1 ASP A 151 9.304 8.399 4.571 1.00 0.97 O ATOM 595 OD2 ASP A 151 7.160 8.042 4.285 1.00 1.00 O ATOM 0 H ASP A 151 9.719 7.379 1.527 1.00 0.55 H new ATOM 0 HA ASP A 151 9.072 4.759 2.555 1.00 0.63 H new ATOM 0 HB2 ASP A 151 7.773 5.580 4.485 1.00 0.71 H new ATOM 0 HB3 ASP A 151 9.490 5.866 4.688 1.00 0.71 H new ATOM 600 N CYS A 152 6.527 5.428 2.092 1.00 0.66 N ATOM 601 CA CYS A 152 5.286 5.761 1.460 1.00 0.61 C ATOM 602 C CYS A 152 4.090 5.223 2.249 1.00 0.63 C ATOM 603 O CYS A 152 4.224 4.341 3.094 1.00 0.85 O ATOM 604 CB CYS A 152 5.294 5.277 0.018 1.00 0.97 C ATOM 605 SG CYS A 152 5.664 3.519 -0.174 1.00 1.56 S ATOM 0 H CYS A 152 6.488 4.633 2.730 1.00 0.66 H new ATOM 0 HA CYS A 152 5.177 6.846 1.449 1.00 0.61 H new ATOM 0 HB2 CYS A 152 4.320 5.482 -0.427 1.00 0.97 H new ATOM 0 HB3 CYS A 152 6.029 5.854 -0.543 1.00 0.97 H new ATOM 0 HG CYS A 152 6.100 3.296 -1.378 1.00 1.56 H new ATOM 611 N VAL A 153 2.931 5.767 1.932 1.00 0.49 N ATOM 612 CA VAL A 153 1.734 5.664 2.731 1.00 0.43 C ATOM 613 C VAL A 153 0.545 5.284 1.891 1.00 0.37 C ATOM 614 O VAL A 153 0.374 5.730 0.756 1.00 0.37 O ATOM 615 CB VAL A 153 1.466 7.015 3.415 1.00 0.43 C ATOM 616 CG1 VAL A 153 -0.006 7.192 3.783 1.00 0.41 C ATOM 617 CG2 VAL A 153 2.346 7.178 4.645 1.00 0.60 C ATOM 0 H VAL A 153 2.797 6.311 1.080 1.00 0.49 H new ATOM 0 HA VAL A 153 1.885 4.884 3.477 1.00 0.43 H new ATOM 0 HB VAL A 153 1.717 7.795 2.696 1.00 0.43 H new ATOM 0 HG11 VAL A 153 -0.147 8.160 4.263 1.00 0.41 H new ATOM 0 HG12 VAL A 153 -0.615 7.142 2.880 1.00 0.41 H new ATOM 0 HG13 VAL A 153 -0.308 6.400 4.468 1.00 0.41 H new ATOM 0 HG21 VAL A 153 2.141 8.140 5.114 1.00 0.60 H new ATOM 0 HG22 VAL A 153 2.134 6.377 5.353 1.00 0.60 H new ATOM 0 HG23 VAL A 153 3.395 7.134 4.351 1.00 0.60 H new ATOM 627 N VAL A 154 -0.224 4.416 2.469 1.00 0.36 N ATOM 628 CA VAL A 154 -1.509 4.035 1.980 1.00 0.34 C ATOM 629 C VAL A 154 -2.522 4.436 3.030 1.00 0.28 C ATOM 630 O VAL A 154 -2.340 4.140 4.202 1.00 0.29 O ATOM 631 CB VAL A 154 -1.586 2.506 1.699 1.00 0.40 C ATOM 632 CG1 VAL A 154 -2.269 1.764 2.787 1.00 0.38 C ATOM 633 CG2 VAL A 154 -2.271 2.259 0.385 1.00 0.45 C ATOM 0 H VAL A 154 0.038 3.935 3.329 1.00 0.36 H new ATOM 0 HA VAL A 154 -1.710 4.534 1.032 1.00 0.34 H new ATOM 0 HB VAL A 154 -0.564 2.131 1.653 1.00 0.40 H new ATOM 0 HG11 VAL A 154 -2.296 0.702 2.542 1.00 0.38 H new ATOM 0 HG12 VAL A 154 -1.726 1.907 3.721 1.00 0.38 H new ATOM 0 HG13 VAL A 154 -3.287 2.137 2.898 1.00 0.38 H new ATOM 0 HG21 VAL A 154 -2.320 1.187 0.196 1.00 0.45 H new ATOM 0 HG22 VAL A 154 -3.281 2.669 0.418 1.00 0.45 H new ATOM 0 HG23 VAL A 154 -1.710 2.742 -0.415 1.00 0.45 H new ATOM 643 N ARG A 155 -3.499 5.222 2.677 1.00 0.30 N ATOM 644 CA ARG A 155 -4.515 5.528 3.642 1.00 0.33 C ATOM 645 C ARG A 155 -5.915 5.251 3.126 1.00 0.45 C ATOM 646 O ARG A 155 -6.239 5.590 2.005 1.00 0.63 O ATOM 647 CB ARG A 155 -4.332 6.952 4.104 1.00 0.46 C ATOM 648 CG ARG A 155 -5.342 7.429 5.105 1.00 0.79 C ATOM 649 CD ARG A 155 -6.252 8.446 4.464 1.00 1.06 C ATOM 650 NE ARG A 155 -6.546 9.561 5.369 1.00 1.59 N ATOM 651 CZ ARG A 155 -7.607 9.642 6.169 1.00 1.99 C ATOM 652 NH1 ARG A 155 -8.496 8.668 6.216 1.00 2.40 N ATOM 653 NH2 ARG A 155 -7.763 10.703 6.947 1.00 2.42 N ATOM 0 H ARG A 155 -3.613 5.651 1.759 1.00 0.30 H new ATOM 0 HA ARG A 155 -4.402 4.863 4.499 1.00 0.33 H new ATOM 0 HB2 ARG A 155 -3.337 7.052 4.538 1.00 0.46 H new ATOM 0 HB3 ARG A 155 -4.367 7.608 3.234 1.00 0.46 H new ATOM 0 HG2 ARG A 155 -5.926 6.587 5.476 1.00 0.79 H new ATOM 0 HG3 ARG A 155 -4.837 7.870 5.964 1.00 0.79 H new ATOM 0 HD2 ARG A 155 -5.787 8.828 3.555 1.00 1.06 H new ATOM 0 HD3 ARG A 155 -7.183 7.964 4.167 1.00 1.06 H new ATOM 0 HE ARG A 155 -5.884 10.337 5.387 1.00 1.59 H new ATOM 0 HH11 ARG A 155 -8.375 7.839 5.634 1.00 2.40 H new ATOM 0 HH12 ARG A 155 -9.304 8.744 6.834 1.00 2.40 H new ATOM 0 HH21 ARG A 155 -7.072 11.453 6.931 1.00 2.42 H new ATOM 0 HH22 ARG A 155 -8.574 10.770 7.562 1.00 2.42 H new ATOM 667 N PHE A 156 -6.723 4.632 3.964 1.00 0.44 N ATOM 668 CA PHE A 156 -8.131 4.398 3.674 1.00 0.49 C ATOM 669 C PHE A 156 -8.949 5.595 4.167 1.00 0.57 C ATOM 670 O PHE A 156 -8.408 6.411 4.905 1.00 0.71 O ATOM 671 CB PHE A 156 -8.582 3.123 4.395 1.00 0.60 C ATOM 672 CG PHE A 156 -9.934 2.600 3.996 1.00 0.59 C ATOM 673 CD1 PHE A 156 -10.111 1.976 2.772 1.00 0.56 C ATOM 674 CD2 PHE A 156 -11.028 2.746 4.832 1.00 0.77 C ATOM 675 CE1 PHE A 156 -11.350 1.505 2.391 1.00 0.65 C ATOM 676 CE2 PHE A 156 -12.270 2.275 4.456 1.00 0.82 C ATOM 677 CZ PHE A 156 -12.430 1.614 3.282 1.00 0.72 C ATOM 0 H PHE A 156 -6.423 4.274 4.871 1.00 0.44 H new ATOM 0 HA PHE A 156 -8.281 4.279 2.601 1.00 0.49 H new ATOM 0 HB2 PHE A 156 -7.842 2.343 4.215 1.00 0.60 H new ATOM 0 HB3 PHE A 156 -8.588 3.315 5.468 1.00 0.60 H new ATOM 0 HD1 PHE A 156 -9.268 1.857 2.108 1.00 0.56 H new ATOM 0 HD2 PHE A 156 -10.908 3.233 5.788 1.00 0.77 H new ATOM 0 HE1 PHE A 156 -11.488 1.057 1.418 1.00 0.65 H new ATOM 0 HE2 PHE A 156 -13.121 2.434 5.102 1.00 0.82 H new ATOM 0 HZ PHE A 156 -13.384 1.173 3.034 1.00 0.72 H new ATOM 687 N ALA A 157 -10.224 5.728 3.781 1.00 0.57 N ATOM 688 CA ALA A 157 -11.054 6.821 4.304 1.00 0.65 C ATOM 689 C ALA A 157 -11.096 6.786 5.833 1.00 0.77 C ATOM 690 O ALA A 157 -11.216 7.826 6.489 1.00 0.95 O ATOM 691 CB ALA A 157 -12.458 6.766 3.740 1.00 0.71 C ATOM 0 H ALA A 157 -10.696 5.108 3.123 1.00 0.57 H new ATOM 0 HA ALA A 157 -10.599 7.760 3.988 1.00 0.65 H new ATOM 0 HB1 ALA A 157 -13.046 7.588 4.147 1.00 0.71 H new ATOM 0 HB2 ALA A 157 -12.418 6.852 2.654 1.00 0.71 H new ATOM 0 HB3 ALA A 157 -12.923 5.818 4.012 1.00 0.71 H new ATOM 697 N GLY A 158 -10.978 5.585 6.389 1.00 0.76 N ATOM 698 CA GLY A 158 -10.929 5.424 7.830 1.00 0.94 C ATOM 699 C GLY A 158 -9.507 5.253 8.339 1.00 0.91 C ATOM 700 O GLY A 158 -8.576 5.858 7.807 1.00 1.81 O ATOM 0 H GLY A 158 -10.915 4.714 5.862 1.00 0.76 H new ATOM 0 HA2 GLY A 158 -11.382 6.293 8.307 1.00 0.94 H new ATOM 0 HA3 GLY A 158 -11.523 4.557 8.118 1.00 0.94 H new ATOM 704 N GLY A 159 -9.329 4.414 9.350 1.00 0.72 N ATOM 705 CA GLY A 159 -8.015 4.236 9.946 1.00 0.81 C ATOM 706 C GLY A 159 -7.236 3.080 9.345 1.00 0.60 C ATOM 707 O GLY A 159 -6.221 2.656 9.896 1.00 0.78 O ATOM 0 H GLY A 159 -10.070 3.852 9.770 1.00 0.72 H new ATOM 0 HA2 GLY A 159 -7.441 5.154 9.824 1.00 0.81 H new ATOM 0 HA3 GLY A 159 -8.129 4.071 11.017 1.00 0.81 H new ATOM 711 N GLN A 160 -7.704 2.576 8.211 1.00 0.50 N ATOM 712 CA GLN A 160 -7.072 1.484 7.521 1.00 0.47 C ATOM 713 C GLN A 160 -5.978 2.022 6.591 1.00 0.40 C ATOM 714 O GLN A 160 -6.149 2.180 5.388 1.00 0.56 O ATOM 715 CB GLN A 160 -8.166 0.726 6.806 1.00 0.71 C ATOM 716 CG GLN A 160 -7.695 -0.177 5.710 1.00 0.64 C ATOM 717 CD GLN A 160 -8.861 -0.766 4.936 1.00 1.08 C ATOM 718 OE1 GLN A 160 -8.699 -0.920 3.640 1.00 1.43 O flip ATOM 719 NE2 GLN A 160 -9.918 -1.040 5.501 1.00 2.02 N flip ATOM 0 H GLN A 160 -8.543 2.925 7.748 1.00 0.50 H new ATOM 0 HA GLN A 160 -6.564 0.797 8.198 1.00 0.47 H new ATOM 0 HB2 GLN A 160 -8.713 0.131 7.537 1.00 0.71 H new ATOM 0 HB3 GLN A 160 -8.871 1.444 6.387 1.00 0.71 H new ATOM 0 HG2 GLN A 160 -7.050 0.380 5.030 1.00 0.64 H new ATOM 0 HG3 GLN A 160 -7.094 -0.982 6.133 1.00 0.64 H new ATOM 0 HE21 GLN A 160 -10.007 -0.908 6.508 1.00 2.02 H new ATOM 0 HE22 GLN A 160 -10.706 -1.400 4.962 1.00 2.02 H new ATOM 728 N GLN A 161 -4.840 2.302 7.178 1.00 0.38 N ATOM 729 CA GLN A 161 -3.761 2.961 6.492 1.00 0.34 C ATOM 730 C GLN A 161 -2.452 2.230 6.755 1.00 0.39 C ATOM 731 O GLN A 161 -2.169 1.784 7.866 1.00 0.46 O ATOM 732 CB GLN A 161 -3.696 4.434 6.895 1.00 0.35 C ATOM 733 CG GLN A 161 -3.618 4.664 8.395 1.00 1.08 C ATOM 734 CD GLN A 161 -3.552 6.134 8.758 1.00 1.12 C ATOM 735 OE1 GLN A 161 -4.094 6.985 8.056 1.00 1.77 O ATOM 736 NE2 GLN A 161 -2.881 6.442 9.854 1.00 1.46 N ATOM 0 H GLN A 161 -4.637 2.077 8.152 1.00 0.38 H new ATOM 0 HA GLN A 161 -3.940 2.931 5.417 1.00 0.34 H new ATOM 0 HB2 GLN A 161 -2.826 4.891 6.423 1.00 0.35 H new ATOM 0 HB3 GLN A 161 -4.576 4.945 6.505 1.00 0.35 H new ATOM 0 HG2 GLN A 161 -4.488 4.214 8.873 1.00 1.08 H new ATOM 0 HG3 GLN A 161 -2.739 4.156 8.791 1.00 1.08 H new ATOM 0 HE21 GLN A 161 -2.446 5.706 10.409 1.00 1.46 H new ATOM 0 HE22 GLN A 161 -2.799 7.416 10.145 1.00 1.46 H new ATOM 745 N TRP A 162 -1.688 2.100 5.699 1.00 0.39 N ATOM 746 CA TRP A 162 -0.578 1.180 5.610 1.00 0.47 C ATOM 747 C TRP A 162 0.517 1.859 4.845 1.00 0.50 C ATOM 748 O TRP A 162 0.345 2.968 4.385 1.00 0.47 O ATOM 749 CB TRP A 162 -0.982 -0.102 4.894 1.00 0.50 C ATOM 750 CG TRP A 162 -2.339 -0.615 5.308 1.00 0.47 C ATOM 751 CD1 TRP A 162 -3.566 -0.101 4.956 1.00 0.43 C ATOM 752 CD2 TRP A 162 -2.608 -1.726 6.171 1.00 0.53 C ATOM 753 NE1 TRP A 162 -4.566 -0.826 5.554 1.00 0.47 N ATOM 754 CE2 TRP A 162 -4.006 -1.831 6.298 1.00 0.52 C ATOM 755 CE3 TRP A 162 -1.800 -2.645 6.846 1.00 0.62 C ATOM 756 CZ2 TRP A 162 -4.611 -2.816 7.072 1.00 0.60 C ATOM 757 CZ3 TRP A 162 -2.404 -3.621 7.616 1.00 0.68 C ATOM 758 CH2 TRP A 162 -3.798 -3.700 7.724 1.00 0.67 C ATOM 0 H TRP A 162 -1.825 2.648 4.850 1.00 0.39 H new ATOM 0 HA TRP A 162 -0.247 0.909 6.613 1.00 0.47 H new ATOM 0 HB2 TRP A 162 -0.981 0.075 3.818 1.00 0.50 H new ATOM 0 HB3 TRP A 162 -0.235 -0.871 5.091 1.00 0.50 H new ATOM 0 HD1 TRP A 162 -3.719 0.747 4.305 1.00 0.43 H new ATOM 0 HE1 TRP A 162 -5.565 -0.646 5.460 1.00 0.47 H new ATOM 0 HE3 TRP A 162 -0.724 -2.594 6.767 1.00 0.62 H new ATOM 0 HZ2 TRP A 162 -5.686 -2.880 7.155 1.00 0.60 H new ATOM 0 HZ3 TRP A 162 -1.790 -4.336 8.144 1.00 0.68 H new ATOM 0 HH2 TRP A 162 -4.239 -4.474 8.334 1.00 0.67 H new ATOM 769 N GLY A 163 1.653 1.255 4.784 1.00 0.58 N ATOM 770 CA GLY A 163 2.721 1.840 4.042 1.00 0.63 C ATOM 771 C GLY A 163 4.009 1.084 4.223 1.00 0.62 C ATOM 772 O GLY A 163 4.011 -0.064 4.656 1.00 0.63 O ATOM 0 H GLY A 163 1.868 0.365 5.233 1.00 0.58 H new ATOM 0 HA2 GLY A 163 2.459 1.862 2.984 1.00 0.63 H new ATOM 0 HA3 GLY A 163 2.859 2.874 4.358 1.00 0.63 H new ATOM 776 N GLY A 164 5.101 1.735 3.914 1.00 0.66 N ATOM 777 CA GLY A 164 6.404 1.169 4.171 1.00 0.66 C ATOM 778 C GLY A 164 7.409 2.249 4.426 1.00 0.63 C ATOM 779 O GLY A 164 7.194 3.395 4.039 1.00 0.69 O ATOM 0 H GLY A 164 5.116 2.659 3.483 1.00 0.66 H new ATOM 0 HA2 GLY A 164 6.353 0.502 5.032 1.00 0.66 H new ATOM 0 HA3 GLY A 164 6.719 0.566 3.319 1.00 0.66 H new ATOM 783 N VAL A 165 8.501 1.895 5.069 1.00 0.61 N ATOM 784 CA VAL A 165 9.434 2.881 5.534 1.00 0.59 C ATOM 785 C VAL A 165 10.879 2.431 5.289 1.00 0.60 C ATOM 786 O VAL A 165 11.300 1.349 5.702 1.00 0.78 O ATOM 787 CB VAL A 165 9.176 3.199 7.025 1.00 0.73 C ATOM 788 CG1 VAL A 165 9.484 2.003 7.915 1.00 0.96 C ATOM 789 CG2 VAL A 165 9.957 4.428 7.464 1.00 0.88 C ATOM 0 H VAL A 165 8.759 0.930 5.278 1.00 0.61 H new ATOM 0 HA VAL A 165 9.285 3.799 4.965 1.00 0.59 H new ATOM 0 HB VAL A 165 8.114 3.419 7.134 1.00 0.73 H new ATOM 0 HG11 VAL A 165 9.291 2.264 8.955 1.00 0.96 H new ATOM 0 HG12 VAL A 165 8.851 1.163 7.628 1.00 0.96 H new ATOM 0 HG13 VAL A 165 10.531 1.724 7.800 1.00 0.96 H new ATOM 0 HG21 VAL A 165 9.757 4.629 8.516 1.00 0.88 H new ATOM 0 HG22 VAL A 165 11.023 4.250 7.324 1.00 0.88 H new ATOM 0 HG23 VAL A 165 9.651 5.286 6.866 1.00 0.88 H new ATOM 799 N PHE A 166 11.591 3.247 4.554 1.00 0.55 N ATOM 800 CA PHE A 166 12.974 3.051 4.214 1.00 0.61 C ATOM 801 C PHE A 166 13.730 4.323 4.571 1.00 0.61 C ATOM 802 O PHE A 166 13.129 5.339 4.908 1.00 0.84 O ATOM 803 CB PHE A 166 13.098 2.722 2.725 1.00 1.00 C ATOM 804 CG PHE A 166 12.548 1.368 2.376 1.00 1.66 C ATOM 805 CD1 PHE A 166 13.342 0.236 2.479 1.00 1.99 C ATOM 806 CD2 PHE A 166 11.242 1.228 1.940 1.00 2.17 C ATOM 807 CE1 PHE A 166 12.844 -1.008 2.146 1.00 2.71 C ATOM 808 CE2 PHE A 166 10.738 -0.013 1.609 1.00 2.96 C ATOM 809 CZ PHE A 166 11.526 -1.135 1.751 1.00 3.19 C ATOM 0 H PHE A 166 11.203 4.104 4.160 1.00 0.55 H new ATOM 0 HA PHE A 166 13.399 2.214 4.769 1.00 0.61 H new ATOM 0 HB2 PHE A 166 12.573 3.482 2.146 1.00 1.00 H new ATOM 0 HB3 PHE A 166 14.148 2.768 2.434 1.00 1.00 H new ATOM 0 HD1 PHE A 166 14.361 0.328 2.824 1.00 1.99 H new ATOM 0 HD2 PHE A 166 10.610 2.100 1.858 1.00 2.17 H new ATOM 0 HE1 PHE A 166 13.482 -1.878 2.194 1.00 2.71 H new ATOM 0 HE2 PHE A 166 9.727 -0.105 1.239 1.00 2.96 H new ATOM 0 HZ PHE A 166 11.113 -2.113 1.554 1.00 3.19 H new ATOM 819 N TYR A 167 15.031 4.243 4.569 1.00 0.74 N ATOM 820 CA TYR A 167 15.862 5.362 4.983 1.00 1.06 C ATOM 821 C TYR A 167 16.339 6.172 3.799 1.00 0.98 C ATOM 822 O TYR A 167 16.878 7.265 3.971 1.00 1.22 O ATOM 823 CB TYR A 167 17.045 4.881 5.829 1.00 1.45 C ATOM 824 CG TYR A 167 18.046 4.027 5.084 1.00 2.10 C ATOM 825 CD1 TYR A 167 17.806 2.679 4.844 1.00 2.48 C ATOM 826 CD2 TYR A 167 19.238 4.570 4.628 1.00 2.87 C ATOM 827 CE1 TYR A 167 18.727 1.901 4.170 1.00 3.52 C ATOM 828 CE2 TYR A 167 20.162 3.802 3.954 1.00 3.88 C ATOM 829 CZ TYR A 167 19.902 2.468 3.726 1.00 4.19 C ATOM 830 OH TYR A 167 20.827 1.701 3.056 1.00 5.30 O ATOM 0 H TYR A 167 15.551 3.413 4.285 1.00 0.74 H new ATOM 0 HA TYR A 167 15.245 6.016 5.599 1.00 1.06 H new ATOM 0 HB2 TYR A 167 17.561 5.751 6.236 1.00 1.45 H new ATOM 0 HB3 TYR A 167 16.661 4.312 6.676 1.00 1.45 H new ATOM 0 HD1 TYR A 167 16.885 2.233 5.190 1.00 2.48 H new ATOM 0 HD2 TYR A 167 19.446 5.615 4.805 1.00 2.87 H new ATOM 0 HE1 TYR A 167 18.528 0.855 3.992 1.00 3.52 H new ATOM 0 HE2 TYR A 167 21.085 4.243 3.606 1.00 3.88 H new ATOM 0 HH TYR A 167 21.597 2.256 2.812 1.00 5.30 H new ATOM 840 N ALA A 168 16.172 5.632 2.605 1.00 0.72 N ATOM 841 CA ALA A 168 16.755 6.223 1.441 1.00 0.72 C ATOM 842 C ALA A 168 16.134 5.652 0.188 1.00 0.54 C ATOM 843 O ALA A 168 15.293 4.755 0.249 1.00 0.67 O ATOM 844 CB ALA A 168 18.257 5.995 1.440 1.00 1.03 C ATOM 0 H ALA A 168 15.634 4.783 2.429 1.00 0.72 H new ATOM 0 HA ALA A 168 16.562 7.296 1.459 1.00 0.72 H new ATOM 0 HB1 ALA A 168 18.693 6.448 0.550 1.00 1.03 H new ATOM 0 HB2 ALA A 168 18.694 6.448 2.330 1.00 1.03 H new ATOM 0 HB3 ALA A 168 18.463 4.925 1.440 1.00 1.03 H new ATOM 850 N GLU A 169 16.574 6.217 -0.923 1.00 0.55 N ATOM 851 CA GLU A 169 16.477 5.638 -2.296 1.00 0.73 C ATOM 852 C GLU A 169 15.079 5.655 -2.868 1.00 0.54 C ATOM 853 O GLU A 169 14.887 5.775 -4.077 1.00 0.78 O ATOM 854 CB GLU A 169 16.965 4.187 -2.360 1.00 1.19 C ATOM 855 CG GLU A 169 17.848 3.769 -1.194 1.00 1.40 C ATOM 856 CD GLU A 169 19.002 2.880 -1.608 1.00 1.80 C ATOM 857 OE1 GLU A 169 20.019 3.404 -2.099 1.00 2.18 O ATOM 858 OE2 GLU A 169 18.896 1.646 -1.445 1.00 2.02 O ATOM 0 H GLU A 169 17.031 7.129 -0.917 1.00 0.55 H new ATOM 0 HA GLU A 169 17.120 6.289 -2.888 1.00 0.73 H new ATOM 0 HB2 GLU A 169 16.099 3.527 -2.399 1.00 1.19 H new ATOM 0 HB3 GLU A 169 17.518 4.043 -3.288 1.00 1.19 H new ATOM 0 HG2 GLU A 169 18.242 4.661 -0.707 1.00 1.40 H new ATOM 0 HG3 GLU A 169 17.240 3.245 -0.456 1.00 1.40 H new ATOM 865 N ILE A 170 14.143 5.472 -1.989 1.00 0.56 N ATOM 866 CA ILE A 170 12.751 5.264 -2.314 1.00 0.54 C ATOM 867 C ILE A 170 12.124 6.417 -3.113 1.00 0.55 C ATOM 868 O ILE A 170 11.396 7.237 -2.598 1.00 0.65 O ATOM 869 CB ILE A 170 11.973 4.960 -1.004 1.00 0.67 C ATOM 870 CG1 ILE A 170 12.260 3.536 -0.558 1.00 0.97 C ATOM 871 CG2 ILE A 170 10.477 5.169 -1.107 1.00 0.83 C ATOM 872 CD1 ILE A 170 12.304 2.526 -1.684 1.00 1.07 C ATOM 0 H ILE A 170 14.326 5.462 -0.986 1.00 0.56 H new ATOM 0 HA ILE A 170 12.684 4.408 -2.986 1.00 0.54 H new ATOM 0 HB ILE A 170 12.329 5.680 -0.267 1.00 0.67 H new ATOM 0 HG12 ILE A 170 13.215 3.518 -0.032 1.00 0.97 H new ATOM 0 HG13 ILE A 170 11.496 3.231 0.158 1.00 0.97 H new ATOM 0 HG21 ILE A 170 10.010 4.935 -0.150 1.00 0.83 H new ATOM 0 HG22 ILE A 170 10.272 6.208 -1.366 1.00 0.83 H new ATOM 0 HG23 ILE A 170 10.071 4.515 -1.879 1.00 0.83 H new ATOM 0 HD11 ILE A 170 12.514 1.537 -1.277 1.00 1.07 H new ATOM 0 HD12 ILE A 170 11.342 2.511 -2.197 1.00 1.07 H new ATOM 0 HD13 ILE A 170 13.087 2.802 -2.390 1.00 1.07 H new ATOM 884 N LYS A 171 12.432 6.493 -4.388 1.00 0.67 N ATOM 885 CA LYS A 171 11.602 7.275 -5.288 1.00 0.79 C ATOM 886 C LYS A 171 10.870 6.324 -6.192 1.00 0.84 C ATOM 887 O LYS A 171 9.970 6.698 -6.940 1.00 0.92 O ATOM 888 CB LYS A 171 12.459 8.195 -6.132 1.00 1.11 C ATOM 889 CG LYS A 171 13.744 7.533 -6.565 1.00 1.14 C ATOM 890 CD LYS A 171 14.613 8.469 -7.390 1.00 1.48 C ATOM 891 CE LYS A 171 13.901 8.935 -8.654 1.00 1.91 C ATOM 892 NZ LYS A 171 13.652 7.819 -9.604 1.00 2.68 N ATOM 0 H LYS A 171 13.233 6.035 -4.823 1.00 0.67 H new ATOM 0 HA LYS A 171 10.904 7.880 -4.709 1.00 0.79 H new ATOM 0 HB2 LYS A 171 11.897 8.507 -7.013 1.00 1.11 H new ATOM 0 HB3 LYS A 171 12.689 9.097 -5.565 1.00 1.11 H new ATOM 0 HG2 LYS A 171 14.298 7.204 -5.685 1.00 1.14 H new ATOM 0 HG3 LYS A 171 13.515 6.642 -7.149 1.00 1.14 H new ATOM 0 HD2 LYS A 171 14.888 9.335 -6.788 1.00 1.48 H new ATOM 0 HD3 LYS A 171 15.539 7.961 -7.660 1.00 1.48 H new ATOM 0 HE2 LYS A 171 12.952 9.398 -8.384 1.00 1.91 H new ATOM 0 HE3 LYS A 171 14.501 9.701 -9.145 1.00 1.91 H new ATOM 0 HZ1 LYS A 171 13.259 8.198 -10.489 1.00 2.68 H new ATOM 0 HZ2 LYS A 171 14.546 7.328 -9.804 1.00 2.68 H new ATOM 0 HZ3 LYS A 171 12.976 7.150 -9.184 1.00 2.68 H new ATOM 906 N SER A 172 11.276 5.085 -6.096 1.00 0.92 N ATOM 907 CA SER A 172 10.587 3.993 -6.709 1.00 1.13 C ATOM 908 C SER A 172 9.352 3.592 -5.905 1.00 1.05 C ATOM 909 O SER A 172 8.278 3.393 -6.452 1.00 1.12 O ATOM 910 CB SER A 172 11.599 2.884 -6.884 1.00 1.45 C ATOM 911 OG SER A 172 11.002 1.684 -7.338 1.00 1.86 O ATOM 0 H SER A 172 12.110 4.807 -5.579 1.00 0.92 H new ATOM 0 HA SER A 172 10.188 4.263 -7.687 1.00 1.13 H new ATOM 0 HB2 SER A 172 12.363 3.200 -7.595 1.00 1.45 H new ATOM 0 HB3 SER A 172 12.103 2.701 -5.935 1.00 1.45 H new ATOM 0 HG SER A 172 11.139 0.978 -6.672 1.00 1.86 H new ATOM 917 N SER A 173 9.524 3.491 -4.594 1.00 1.00 N ATOM 918 CA SER A 173 8.413 3.292 -3.674 1.00 1.09 C ATOM 919 C SER A 173 7.718 4.622 -3.417 1.00 0.94 C ATOM 920 O SER A 173 6.660 4.695 -2.799 1.00 1.14 O ATOM 921 CB SER A 173 8.907 2.656 -2.382 1.00 1.24 C ATOM 922 OG SER A 173 9.387 1.340 -2.617 1.00 1.47 O ATOM 0 H SER A 173 10.435 3.545 -4.139 1.00 1.00 H new ATOM 0 HA SER A 173 7.687 2.610 -4.118 1.00 1.09 H new ATOM 0 HB2 SER A 173 9.701 3.266 -1.952 1.00 1.24 H new ATOM 0 HB3 SER A 173 8.097 2.627 -1.653 1.00 1.24 H new ATOM 0 HG SER A 173 8.808 0.694 -2.161 1.00 1.47 H new ATOM 928 N CYS A 174 8.364 5.669 -3.898 1.00 0.76 N ATOM 929 CA CYS A 174 7.828 7.015 -3.890 1.00 0.85 C ATOM 930 C CYS A 174 6.892 7.104 -5.069 1.00 0.73 C ATOM 931 O CYS A 174 6.054 7.978 -5.201 1.00 0.88 O ATOM 932 CB CYS A 174 8.997 7.984 -4.034 1.00 1.09 C ATOM 933 SG CYS A 174 8.669 9.742 -3.795 1.00 1.63 S ATOM 0 H CYS A 174 9.294 5.604 -4.313 1.00 0.76 H new ATOM 0 HA CYS A 174 7.292 7.259 -2.973 1.00 0.85 H new ATOM 0 HB2 CYS A 174 9.767 7.687 -3.322 1.00 1.09 H new ATOM 0 HB3 CYS A 174 9.418 7.855 -5.031 1.00 1.09 H new ATOM 0 HG CYS A 174 7.513 10.042 -4.309 1.00 1.63 H new ATOM 939 N ALA A 175 7.062 6.142 -5.920 1.00 0.63 N ATOM 940 CA ALA A 175 6.186 5.950 -7.035 1.00 0.66 C ATOM 941 C ALA A 175 5.101 4.969 -6.637 1.00 0.59 C ATOM 942 O ALA A 175 5.382 3.847 -6.230 1.00 0.65 O ATOM 943 CB ALA A 175 6.978 5.507 -8.240 1.00 0.80 C ATOM 0 H ALA A 175 7.819 5.461 -5.861 1.00 0.63 H new ATOM 0 HA ALA A 175 5.698 6.883 -7.316 1.00 0.66 H new ATOM 0 HB1 ALA A 175 6.305 5.363 -9.085 1.00 0.80 H new ATOM 0 HB2 ALA A 175 7.716 6.269 -8.490 1.00 0.80 H new ATOM 0 HB3 ALA A 175 7.486 4.569 -8.017 1.00 0.80 H new ATOM 949 N LYS A 176 3.865 5.413 -6.704 1.00 0.60 N ATOM 950 CA LYS A 176 2.775 4.683 -6.091 1.00 0.59 C ATOM 951 C LYS A 176 1.536 4.704 -6.964 1.00 0.53 C ATOM 952 O LYS A 176 1.124 5.768 -7.428 1.00 0.66 O ATOM 953 CB LYS A 176 2.455 5.303 -4.736 1.00 0.83 C ATOM 954 CG LYS A 176 3.622 5.298 -3.766 1.00 0.84 C ATOM 955 CD LYS A 176 3.600 4.068 -2.876 1.00 1.59 C ATOM 956 CE LYS A 176 2.383 4.064 -1.967 1.00 2.27 C ATOM 957 NZ LYS A 176 2.236 5.347 -1.231 1.00 2.95 N ATOM 0 H LYS A 176 3.589 6.274 -7.176 1.00 0.60 H new ATOM 0 HA LYS A 176 3.083 3.645 -5.967 1.00 0.59 H new ATOM 0 HB2 LYS A 176 2.125 6.331 -4.887 1.00 0.83 H new ATOM 0 HB3 LYS A 176 1.621 4.763 -4.288 1.00 0.83 H new ATOM 0 HG2 LYS A 176 4.559 5.329 -4.322 1.00 0.84 H new ATOM 0 HG3 LYS A 176 3.587 6.196 -3.149 1.00 0.84 H new ATOM 0 HD2 LYS A 176 3.598 3.170 -3.494 1.00 1.59 H new ATOM 0 HD3 LYS A 176 4.507 4.037 -2.272 1.00 1.59 H new ATOM 0 HE2 LYS A 176 1.487 3.881 -2.561 1.00 2.27 H new ATOM 0 HE3 LYS A 176 2.465 3.244 -1.254 1.00 2.27 H new ATOM 0 HZ1 LYS A 176 1.951 5.154 -0.250 1.00 2.95 H new ATOM 0 HZ2 LYS A 176 3.143 5.855 -1.234 1.00 2.95 H new ATOM 0 HZ3 LYS A 176 1.510 5.931 -1.693 1.00 2.95 H new ATOM 971 N VAL A 177 0.929 3.553 -7.191 1.00 0.43 N ATOM 972 CA VAL A 177 -0.329 3.539 -7.924 1.00 0.41 C ATOM 973 C VAL A 177 -1.441 2.870 -7.151 1.00 0.37 C ATOM 974 O VAL A 177 -1.232 1.857 -6.490 1.00 0.41 O ATOM 975 CB VAL A 177 -0.206 2.894 -9.314 1.00 0.49 C ATOM 976 CG1 VAL A 177 -1.514 3.020 -10.078 1.00 0.68 C ATOM 977 CG2 VAL A 177 0.946 3.499 -10.105 1.00 0.77 C ATOM 0 H VAL A 177 1.271 2.640 -6.890 1.00 0.43 H new ATOM 0 HA VAL A 177 -0.585 4.590 -8.061 1.00 0.41 H new ATOM 0 HB VAL A 177 0.011 1.835 -9.175 1.00 0.49 H new ATOM 0 HG11 VAL A 177 -1.408 2.558 -11.060 1.00 0.68 H new ATOM 0 HG12 VAL A 177 -2.308 2.519 -9.525 1.00 0.68 H new ATOM 0 HG13 VAL A 177 -1.765 4.074 -10.198 1.00 0.68 H new ATOM 0 HG21 VAL A 177 1.006 3.021 -11.083 1.00 0.77 H new ATOM 0 HG22 VAL A 177 0.778 4.568 -10.233 1.00 0.77 H new ATOM 0 HG23 VAL A 177 1.880 3.341 -9.566 1.00 0.77 H new ATOM 987 N GLN A 178 -2.630 3.451 -7.259 1.00 0.38 N ATOM 988 CA GLN A 178 -3.797 2.915 -6.613 1.00 0.37 C ATOM 989 C GLN A 178 -4.891 2.659 -7.619 1.00 0.33 C ATOM 990 O GLN A 178 -5.078 3.415 -8.572 1.00 0.40 O ATOM 991 CB GLN A 178 -4.366 3.895 -5.597 1.00 0.48 C ATOM 992 CG GLN A 178 -5.077 3.250 -4.416 1.00 0.64 C ATOM 993 CD GLN A 178 -4.149 2.957 -3.249 1.00 1.70 C ATOM 994 OE1 GLN A 178 -3.106 3.761 -3.101 1.00 2.52 O flip ATOM 995 NE2 GLN A 178 -4.365 2.018 -2.486 1.00 2.30 N flip ATOM 0 H GLN A 178 -2.800 4.301 -7.796 1.00 0.38 H new ATOM 0 HA GLN A 178 -3.484 1.992 -6.124 1.00 0.37 H new ATOM 0 HB2 GLN A 178 -3.554 4.517 -5.219 1.00 0.48 H new ATOM 0 HB3 GLN A 178 -5.065 4.559 -6.106 1.00 0.48 H new ATOM 0 HG2 GLN A 178 -5.878 3.907 -4.079 1.00 0.64 H new ATOM 0 HG3 GLN A 178 -5.543 2.321 -4.744 1.00 0.64 H new ATOM 0 HE21 GLN A 178 -5.178 1.420 -2.631 1.00 2.30 H new ATOM 0 HE22 GLN A 178 -3.731 1.837 -1.708 1.00 2.30 H new ATOM 1004 N THR A 179 -5.612 1.595 -7.386 1.00 0.32 N ATOM 1005 CA THR A 179 -6.850 1.357 -8.089 1.00 0.32 C ATOM 1006 C THR A 179 -7.993 1.735 -7.172 1.00 0.31 C ATOM 1007 O THR A 179 -8.022 1.307 -6.021 1.00 0.30 O ATOM 1008 CB THR A 179 -6.995 -0.121 -8.500 1.00 0.33 C ATOM 1009 OG1 THR A 179 -5.905 -0.510 -9.346 1.00 0.36 O ATOM 1010 CG2 THR A 179 -8.313 -0.372 -9.221 1.00 0.42 C ATOM 0 H THR A 179 -5.363 0.873 -6.710 1.00 0.32 H new ATOM 0 HA THR A 179 -6.859 1.957 -8.999 1.00 0.32 H new ATOM 0 HB THR A 179 -6.983 -0.719 -7.589 1.00 0.33 H new ATOM 0 HG1 THR A 179 -5.769 -1.478 -9.280 1.00 0.36 H new ATOM 0 HG21 THR A 179 -8.382 -1.424 -9.497 1.00 0.42 H new ATOM 0 HG22 THR A 179 -9.143 -0.114 -8.563 1.00 0.42 H new ATOM 0 HG23 THR A 179 -8.359 0.242 -10.120 1.00 0.42 H new ATOM 1018 N ARG A 180 -8.885 2.582 -7.653 1.00 0.38 N ATOM 1019 CA ARG A 180 -10.081 2.924 -6.919 1.00 0.44 C ATOM 1020 C ARG A 180 -11.181 3.288 -7.903 1.00 0.55 C ATOM 1021 O ARG A 180 -10.915 3.932 -8.919 1.00 0.64 O ATOM 1022 CB ARG A 180 -9.811 4.076 -5.943 1.00 0.60 C ATOM 1023 CG ARG A 180 -9.558 5.426 -6.606 1.00 0.95 C ATOM 1024 CD ARG A 180 -8.263 5.445 -7.409 1.00 1.44 C ATOM 1025 NE ARG A 180 -8.257 6.505 -8.416 1.00 1.98 N ATOM 1026 CZ ARG A 180 -7.200 6.832 -9.162 1.00 2.68 C ATOM 1027 NH1 ARG A 180 -6.047 6.186 -9.024 1.00 3.12 N ATOM 1028 NH2 ARG A 180 -7.308 7.800 -10.062 1.00 3.41 N ATOM 0 H ARG A 180 -8.799 3.047 -8.557 1.00 0.38 H new ATOM 0 HA ARG A 180 -10.400 2.066 -6.328 1.00 0.44 H new ATOM 0 HB2 ARG A 180 -10.663 4.171 -5.270 1.00 0.60 H new ATOM 0 HB3 ARG A 180 -8.947 3.820 -5.330 1.00 0.60 H new ATOM 0 HG2 ARG A 180 -10.393 5.667 -7.263 1.00 0.95 H new ATOM 0 HG3 ARG A 180 -9.520 6.202 -5.841 1.00 0.95 H new ATOM 0 HD2 ARG A 180 -7.419 5.583 -6.733 1.00 1.44 H new ATOM 0 HD3 ARG A 180 -8.125 4.480 -7.898 1.00 1.44 H new ATOM 0 HE ARG A 180 -9.120 7.030 -8.558 1.00 1.98 H new ATOM 0 HH11 ARG A 180 -5.963 5.432 -8.342 1.00 3.12 H new ATOM 0 HH12 ARG A 180 -5.246 6.444 -9.600 1.00 3.12 H new ATOM 0 HH21 ARG A 180 -8.195 8.289 -10.181 1.00 3.41 H new ATOM 0 HH22 ARG A 180 -6.504 8.055 -10.636 1.00 3.41 H new ATOM 1042 N LYS A 181 -12.401 2.870 -7.597 1.00 0.61 N ATOM 1043 CA LYS A 181 -13.524 3.002 -8.521 1.00 0.75 C ATOM 1044 C LYS A 181 -14.745 2.305 -7.944 1.00 0.71 C ATOM 1045 O LYS A 181 -15.883 2.714 -8.168 1.00 0.89 O ATOM 1046 CB LYS A 181 -13.176 2.360 -9.871 1.00 0.91 C ATOM 1047 CG LYS A 181 -12.936 0.859 -9.773 1.00 0.92 C ATOM 1048 CD LYS A 181 -12.205 0.319 -10.991 1.00 1.36 C ATOM 1049 CE LYS A 181 -13.105 0.293 -12.216 1.00 1.64 C ATOM 1050 NZ LYS A 181 -12.381 -0.189 -13.418 1.00 2.13 N ATOM 0 H LYS A 181 -12.642 2.432 -6.708 1.00 0.61 H new ATOM 0 HA LYS A 181 -13.735 4.061 -8.667 1.00 0.75 H new ATOM 0 HB2 LYS A 181 -13.986 2.547 -10.576 1.00 0.91 H new ATOM 0 HB3 LYS A 181 -12.284 2.839 -10.276 1.00 0.91 H new ATOM 0 HG2 LYS A 181 -12.356 0.642 -8.876 1.00 0.92 H new ATOM 0 HG3 LYS A 181 -13.891 0.345 -9.666 1.00 0.92 H new ATOM 0 HD2 LYS A 181 -11.330 0.936 -11.194 1.00 1.36 H new ATOM 0 HD3 LYS A 181 -11.843 -0.688 -10.783 1.00 1.36 H new ATOM 0 HE2 LYS A 181 -13.962 -0.352 -12.024 1.00 1.64 H new ATOM 0 HE3 LYS A 181 -13.495 1.294 -12.403 1.00 1.64 H new ATOM 0 HZ1 LYS A 181 -13.026 -0.193 -14.234 1.00 2.13 H new ATOM 0 HZ2 LYS A 181 -11.578 0.441 -13.615 1.00 2.13 H new ATOM 0 HZ3 LYS A 181 -12.031 -1.154 -13.249 1.00 2.13 H new ATOM 1064 N GLY A 182 -14.486 1.235 -7.208 1.00 0.64 N ATOM 1065 CA GLY A 182 -15.542 0.409 -6.696 1.00 0.73 C ATOM 1066 C GLY A 182 -15.348 0.073 -5.244 1.00 0.65 C ATOM 1067 O GLY A 182 -15.421 0.937 -4.386 1.00 0.78 O ATOM 0 H GLY A 182 -13.547 0.927 -6.957 1.00 0.64 H new ATOM 0 HA2 GLY A 182 -16.496 0.921 -6.824 1.00 0.73 H new ATOM 0 HA3 GLY A 182 -15.594 -0.512 -7.276 1.00 0.73 H new ATOM 1071 N SER A 183 -15.152 -1.193 -4.966 1.00 0.61 N ATOM 1072 CA SER A 183 -14.872 -1.642 -3.610 1.00 0.70 C ATOM 1073 C SER A 183 -13.412 -2.064 -3.439 1.00 0.66 C ATOM 1074 O SER A 183 -13.063 -2.681 -2.436 1.00 0.81 O ATOM 1075 CB SER A 183 -15.804 -2.795 -3.234 1.00 0.88 C ATOM 1076 OG SER A 183 -17.165 -2.407 -3.350 1.00 1.60 O ATOM 0 H SER A 183 -15.180 -1.940 -5.660 1.00 0.61 H new ATOM 0 HA SER A 183 -15.050 -0.801 -2.940 1.00 0.70 H new ATOM 0 HB2 SER A 183 -15.610 -3.650 -3.881 1.00 0.88 H new ATOM 0 HB3 SER A 183 -15.599 -3.115 -2.212 1.00 0.88 H new ATOM 0 HG SER A 183 -17.742 -3.161 -3.106 1.00 1.60 H new ATOM 1082 N LEU A 184 -12.564 -1.738 -4.411 1.00 0.53 N ATOM 1083 CA LEU A 184 -11.199 -2.253 -4.416 1.00 0.51 C ATOM 1084 C LEU A 184 -10.163 -1.124 -4.450 1.00 0.39 C ATOM 1085 O LEU A 184 -10.171 -0.282 -5.347 1.00 0.43 O ATOM 1086 CB LEU A 184 -11.025 -3.200 -5.619 1.00 0.68 C ATOM 1087 CG LEU A 184 -9.829 -4.166 -5.575 1.00 1.14 C ATOM 1088 CD1 LEU A 184 -8.526 -3.454 -5.912 1.00 1.80 C ATOM 1089 CD2 LEU A 184 -9.735 -4.837 -4.211 1.00 2.15 C ATOM 0 H LEU A 184 -12.794 -1.128 -5.195 1.00 0.53 H new ATOM 0 HA LEU A 184 -11.029 -2.803 -3.490 1.00 0.51 H new ATOM 0 HB2 LEU A 184 -11.935 -3.791 -5.720 1.00 0.68 H new ATOM 0 HB3 LEU A 184 -10.938 -2.592 -6.520 1.00 0.68 H new ATOM 0 HG LEU A 184 -9.993 -4.934 -6.331 1.00 1.14 H new ATOM 0 HD11 LEU A 184 -7.701 -4.166 -5.872 1.00 1.80 H new ATOM 0 HD12 LEU A 184 -8.591 -3.031 -6.914 1.00 1.80 H new ATOM 0 HD13 LEU A 184 -8.351 -2.655 -5.192 1.00 1.80 H new ATOM 0 HD21 LEU A 184 -8.883 -5.517 -4.198 1.00 2.15 H new ATOM 0 HD22 LEU A 184 -9.605 -4.077 -3.440 1.00 2.15 H new ATOM 0 HD23 LEU A 184 -10.650 -5.397 -4.017 1.00 2.15 H new ATOM 1101 N LEU A 185 -9.287 -1.131 -3.446 1.00 0.32 N ATOM 1102 CA LEU A 185 -8.111 -0.258 -3.385 1.00 0.30 C ATOM 1103 C LEU A 185 -6.895 -1.057 -3.807 1.00 0.29 C ATOM 1104 O LEU A 185 -6.769 -2.200 -3.432 1.00 0.48 O ATOM 1105 CB LEU A 185 -7.847 0.268 -1.967 1.00 0.38 C ATOM 1106 CG LEU A 185 -8.833 1.293 -1.404 1.00 0.55 C ATOM 1107 CD1 LEU A 185 -10.192 0.672 -1.158 1.00 0.99 C ATOM 1108 CD2 LEU A 185 -8.285 1.888 -0.117 1.00 1.07 C ATOM 0 H LEU A 185 -9.374 -1.751 -2.640 1.00 0.32 H new ATOM 0 HA LEU A 185 -8.299 0.591 -4.042 1.00 0.30 H new ATOM 0 HB2 LEU A 185 -7.824 -0.586 -1.289 1.00 0.38 H new ATOM 0 HB3 LEU A 185 -6.852 0.713 -1.952 1.00 0.38 H new ATOM 0 HG LEU A 185 -8.957 2.086 -2.142 1.00 0.55 H new ATOM 0 HD11 LEU A 185 -10.870 1.426 -0.758 1.00 0.99 H new ATOM 0 HD12 LEU A 185 -10.591 0.287 -2.096 1.00 0.99 H new ATOM 0 HD13 LEU A 185 -10.095 -0.144 -0.442 1.00 0.99 H new ATOM 0 HD21 LEU A 185 -8.993 2.617 0.277 1.00 1.07 H new ATOM 0 HD22 LEU A 185 -8.135 1.095 0.615 1.00 1.07 H new ATOM 0 HD23 LEU A 185 -7.333 2.380 -0.320 1.00 1.07 H new ATOM 1120 N HIS A 186 -6.039 -0.484 -4.618 1.00 0.27 N ATOM 1121 CA HIS A 186 -4.805 -1.155 -5.043 1.00 0.30 C ATOM 1122 C HIS A 186 -3.601 -0.311 -4.722 1.00 0.40 C ATOM 1123 O HIS A 186 -3.617 0.847 -5.025 1.00 0.67 O ATOM 1124 CB HIS A 186 -4.802 -1.296 -6.544 1.00 0.44 C ATOM 1125 CG HIS A 186 -4.831 -2.701 -7.057 1.00 0.67 C ATOM 1126 ND1 HIS A 186 -5.492 -3.062 -8.205 1.00 1.18 N ATOM 1127 CD2 HIS A 186 -4.205 -3.818 -6.620 1.00 1.54 C ATOM 1128 CE1 HIS A 186 -5.274 -4.338 -8.453 1.00 1.51 C ATOM 1129 NE2 HIS A 186 -4.490 -4.826 -7.508 1.00 1.79 N ATOM 0 H HIS A 186 -6.163 0.451 -5.006 1.00 0.27 H new ATOM 0 HA HIS A 186 -4.765 -2.116 -4.531 1.00 0.30 H new ATOM 0 HB2 HIS A 186 -5.665 -0.764 -6.944 1.00 0.44 H new ATOM 0 HB3 HIS A 186 -3.913 -0.802 -6.936 1.00 0.44 H new ATOM 0 HD2 HIS A 186 -3.593 -3.902 -5.734 1.00 1.54 H new ATOM 0 HE1 HIS A 186 -5.671 -4.893 -9.290 1.00 1.51 H new ATOM 0 HE2 HIS A 186 -4.154 -5.787 -7.448 1.00 1.79 H new ATOM 1138 N LEU A 187 -2.551 -0.870 -4.186 1.00 0.32 N ATOM 1139 CA LEU A 187 -1.300 -0.178 -4.147 1.00 0.37 C ATOM 1140 C LEU A 187 -0.320 -1.012 -4.906 1.00 0.36 C ATOM 1141 O LEU A 187 -0.070 -2.160 -4.533 1.00 0.35 O ATOM 1142 CB LEU A 187 -0.806 0.007 -2.719 1.00 0.43 C ATOM 1143 CG LEU A 187 0.278 1.074 -2.521 1.00 0.55 C ATOM 1144 CD1 LEU A 187 1.657 0.524 -2.845 1.00 1.38 C ATOM 1145 CD2 LEU A 187 -0.022 2.284 -3.389 1.00 1.26 C ATOM 0 H LEU A 187 -2.540 -1.802 -3.772 1.00 0.32 H new ATOM 0 HA LEU A 187 -1.414 0.815 -4.581 1.00 0.37 H new ATOM 0 HB2 LEU A 187 -1.659 0.261 -2.090 1.00 0.43 H new ATOM 0 HB3 LEU A 187 -0.419 -0.947 -2.362 1.00 0.43 H new ATOM 0 HG LEU A 187 0.274 1.373 -1.473 1.00 0.55 H new ATOM 0 HD11 LEU A 187 2.404 1.304 -2.695 1.00 1.38 H new ATOM 0 HD12 LEU A 187 1.876 -0.319 -2.190 1.00 1.38 H new ATOM 0 HD13 LEU A 187 1.682 0.192 -3.883 1.00 1.38 H new ATOM 0 HD21 LEU A 187 0.752 3.037 -3.243 1.00 1.26 H new ATOM 0 HD22 LEU A 187 -0.043 1.984 -4.437 1.00 1.26 H new ATOM 0 HD23 LEU A 187 -0.990 2.700 -3.111 1.00 1.26 H new ATOM 1157 N THR A 188 0.186 -0.451 -5.976 1.00 0.39 N ATOM 1158 CA THR A 188 1.254 -1.059 -6.715 1.00 0.44 C ATOM 1159 C THR A 188 2.553 -0.400 -6.314 1.00 0.50 C ATOM 1160 O THR A 188 2.710 0.820 -6.471 1.00 0.55 O ATOM 1161 CB THR A 188 1.030 -0.921 -8.226 1.00 0.51 C ATOM 1162 OG1 THR A 188 0.599 0.399 -8.521 1.00 0.70 O ATOM 1163 CG2 THR A 188 -0.019 -1.907 -8.711 1.00 0.47 C ATOM 0 H THR A 188 -0.134 0.440 -6.356 1.00 0.39 H new ATOM 0 HA THR A 188 1.289 -2.124 -6.486 1.00 0.44 H new ATOM 0 HB THR A 188 1.971 -1.133 -8.734 1.00 0.51 H new ATOM 0 HG1 THR A 188 1.361 0.930 -8.833 1.00 0.70 H new ATOM 0 HG21 THR A 188 -0.160 -1.789 -9.785 1.00 0.47 H new ATOM 0 HG22 THR A 188 0.311 -2.924 -8.497 1.00 0.47 H new ATOM 0 HG23 THR A 188 -0.962 -1.716 -8.199 1.00 0.47 H new ATOM 1171 N LEU A 189 3.455 -1.186 -5.746 1.00 0.52 N ATOM 1172 CA LEU A 189 4.688 -0.652 -5.251 1.00 0.58 C ATOM 1173 C LEU A 189 5.869 -1.147 -6.072 1.00 0.61 C ATOM 1174 O LEU A 189 6.255 -2.316 -5.968 1.00 0.67 O ATOM 1175 CB LEU A 189 4.876 -1.021 -3.790 1.00 0.67 C ATOM 1176 CG LEU A 189 6.047 -0.301 -3.141 1.00 0.75 C ATOM 1177 CD1 LEU A 189 5.949 1.175 -3.459 1.00 1.08 C ATOM 1178 CD2 LEU A 189 6.040 -0.504 -1.650 1.00 1.21 C ATOM 0 H LEU A 189 3.345 -2.192 -5.622 1.00 0.52 H new ATOM 0 HA LEU A 189 4.643 0.433 -5.339 1.00 0.58 H new ATOM 0 HB2 LEU A 189 3.964 -0.787 -3.242 1.00 0.67 H new ATOM 0 HB3 LEU A 189 5.029 -2.097 -3.710 1.00 0.67 H new ATOM 0 HG LEU A 189 6.979 -0.708 -3.534 1.00 0.75 H new ATOM 0 HD11 LEU A 189 6.784 1.703 -2.998 1.00 1.08 H new ATOM 0 HD12 LEU A 189 5.981 1.317 -4.539 1.00 1.08 H new ATOM 0 HD13 LEU A 189 5.011 1.570 -3.069 1.00 1.08 H new ATOM 0 HD21 LEU A 189 6.887 0.020 -1.207 1.00 1.21 H new ATOM 0 HD22 LEU A 189 5.112 -0.111 -1.234 1.00 1.21 H new ATOM 0 HD23 LEU A 189 6.116 -1.568 -1.427 1.00 1.21 H new ATOM 1190 N PRO A 190 6.418 -0.251 -6.914 1.00 0.66 N ATOM 1191 CA PRO A 190 7.646 -0.476 -7.693 1.00 0.73 C ATOM 1192 C PRO A 190 8.827 -0.880 -6.817 1.00 0.89 C ATOM 1193 O PRO A 190 8.842 -0.614 -5.609 1.00 0.98 O ATOM 1194 CB PRO A 190 7.901 0.876 -8.359 1.00 0.86 C ATOM 1195 CG PRO A 190 6.560 1.502 -8.447 1.00 0.86 C ATOM 1196 CD PRO A 190 5.848 1.079 -7.196 1.00 0.78 C ATOM 0 HA PRO A 190 7.533 -1.296 -8.402 1.00 0.73 H new ATOM 0 HB2 PRO A 190 8.586 1.486 -7.771 1.00 0.86 H new ATOM 0 HB3 PRO A 190 8.349 0.755 -9.345 1.00 0.86 H new ATOM 0 HG2 PRO A 190 6.635 2.588 -8.510 1.00 0.86 H new ATOM 0 HG3 PRO A 190 6.026 1.167 -9.337 1.00 0.86 H new ATOM 0 HD2 PRO A 190 6.027 1.775 -6.377 1.00 0.78 H new ATOM 0 HD3 PRO A 190 4.769 1.031 -7.344 1.00 0.78 H new ATOM 1204 N LYS A 191 9.815 -1.515 -7.446 1.00 1.06 N ATOM 1205 CA LYS A 191 10.865 -2.237 -6.738 1.00 1.32 C ATOM 1206 C LYS A 191 11.576 -1.347 -5.726 1.00 1.50 C ATOM 1207 O LYS A 191 12.115 -0.292 -6.059 1.00 1.61 O ATOM 1208 CB LYS A 191 11.856 -2.801 -7.763 1.00 1.60 C ATOM 1209 CG LYS A 191 12.605 -4.048 -7.307 1.00 1.99 C ATOM 1210 CD LYS A 191 13.756 -3.728 -6.368 1.00 2.64 C ATOM 1211 CE LYS A 191 14.823 -2.880 -7.047 1.00 3.26 C ATOM 1212 NZ LYS A 191 15.412 -3.558 -8.235 1.00 3.64 N ATOM 0 H LYS A 191 9.908 -1.542 -8.461 1.00 1.06 H new ATOM 0 HA LYS A 191 10.414 -3.054 -6.175 1.00 1.32 H new ATOM 0 HB2 LYS A 191 11.315 -3.034 -8.680 1.00 1.60 H new ATOM 0 HB3 LYS A 191 12.583 -2.027 -8.009 1.00 1.60 H new ATOM 0 HG2 LYS A 191 11.910 -4.722 -6.807 1.00 1.99 H new ATOM 0 HG3 LYS A 191 12.989 -4.576 -8.180 1.00 1.99 H new ATOM 0 HD2 LYS A 191 13.375 -3.201 -5.493 1.00 2.64 H new ATOM 0 HD3 LYS A 191 14.202 -4.656 -6.011 1.00 2.64 H new ATOM 0 HE2 LYS A 191 14.388 -1.929 -7.353 1.00 3.26 H new ATOM 0 HE3 LYS A 191 15.614 -2.653 -6.332 1.00 3.26 H new ATOM 0 HZ1 LYS A 191 16.263 -3.044 -8.542 1.00 3.64 H new ATOM 0 HZ2 LYS A 191 15.668 -4.535 -7.986 1.00 3.64 H new ATOM 0 HZ3 LYS A 191 14.717 -3.569 -9.008 1.00 3.64 H new ATOM 1226 N LYS A 192 11.587 -1.820 -4.489 1.00 1.73 N ATOM 1227 CA LYS A 192 12.153 -1.088 -3.367 1.00 2.06 C ATOM 1228 C LYS A 192 13.594 -1.532 -3.114 1.00 2.14 C ATOM 1229 O LYS A 192 14.363 -1.723 -4.053 1.00 2.45 O ATOM 1230 CB LYS A 192 11.292 -1.313 -2.122 1.00 2.43 C ATOM 1231 CG LYS A 192 10.870 -2.761 -1.924 1.00 2.74 C ATOM 1232 CD LYS A 192 10.044 -2.932 -0.663 1.00 3.41 C ATOM 1233 CE LYS A 192 9.547 -4.357 -0.509 1.00 4.16 C ATOM 1234 NZ LYS A 192 8.816 -4.546 0.773 1.00 4.71 N ATOM 0 H LYS A 192 11.201 -2.729 -4.234 1.00 1.73 H new ATOM 0 HA LYS A 192 12.164 -0.024 -3.602 1.00 2.06 H new ATOM 0 HB2 LYS A 192 11.846 -0.982 -1.243 1.00 2.43 H new ATOM 0 HB3 LYS A 192 10.400 -0.690 -2.190 1.00 2.43 H new ATOM 0 HG2 LYS A 192 10.292 -3.094 -2.786 1.00 2.74 H new ATOM 0 HG3 LYS A 192 11.755 -3.395 -1.869 1.00 2.74 H new ATOM 0 HD2 LYS A 192 10.644 -2.660 0.205 1.00 3.41 H new ATOM 0 HD3 LYS A 192 9.194 -2.250 -0.689 1.00 3.41 H new ATOM 0 HE2 LYS A 192 8.891 -4.606 -1.343 1.00 4.16 H new ATOM 0 HE3 LYS A 192 10.392 -5.044 -0.552 1.00 4.16 H new ATOM 0 HZ1 LYS A 192 8.347 -5.474 0.772 1.00 4.71 H new ATOM 0 HZ2 LYS A 192 9.487 -4.498 1.566 1.00 4.71 H new ATOM 0 HZ3 LYS A 192 8.102 -3.798 0.879 1.00 4.71 H new ATOM 1248 N VAL A 193 13.965 -1.693 -1.849 1.00 2.09 N ATOM 1249 CA VAL A 193 15.286 -2.205 -1.511 1.00 2.30 C ATOM 1250 C VAL A 193 15.206 -3.701 -1.238 1.00 2.34 C ATOM 1251 O VAL A 193 14.571 -4.140 -0.275 1.00 2.29 O ATOM 1252 CB VAL A 193 15.895 -1.481 -0.293 1.00 2.58 C ATOM 1253 CG1 VAL A 193 17.325 -1.941 -0.047 1.00 2.90 C ATOM 1254 CG2 VAL A 193 15.845 0.029 -0.483 1.00 2.95 C ATOM 0 H VAL A 193 13.374 -1.478 -1.046 1.00 2.09 H new ATOM 0 HA VAL A 193 15.939 -2.018 -2.363 1.00 2.30 H new ATOM 0 HB VAL A 193 15.299 -1.737 0.583 1.00 2.58 H new ATOM 0 HG11 VAL A 193 17.733 -1.416 0.817 1.00 2.90 H new ATOM 0 HG12 VAL A 193 17.334 -3.014 0.143 1.00 2.90 H new ATOM 0 HG13 VAL A 193 17.934 -1.722 -0.925 1.00 2.90 H new ATOM 0 HG21 VAL A 193 16.280 0.520 0.388 1.00 2.95 H new ATOM 0 HG22 VAL A 193 16.411 0.303 -1.374 1.00 2.95 H new ATOM 0 HG23 VAL A 193 14.809 0.347 -0.599 1.00 2.95 H new