USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=18 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 140:sc= 0.559 USER MOD Set 1.2: A 186 HIS : no HD1:sc= -4.28! X(o=-3.7!,f=-3.5) USER MOD Set 2.1: A 122 GLN : amide:sc= -8.38! C(o=-7.4!,f=-12!) USER MOD Set 2.2: A 192 LYS NZ :NH3+ 160:sc= 0.995 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= -0.0652 USER MOD Single : A 130 LYS NZ :NH3+ 161:sc= 0.855 (180deg=0.562) USER MOD Single : A 139 GLN : amide:sc= 0.183 K(o=0.18,f=-0.88) USER MOD Single : A 148 THR OG1 : rot -179:sc= -0.0566 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 CYS SG : rot 179:sc= -2.93! USER MOD Single : A 160 GLN : amide:sc= -7.99! C(o=-8!,f=-8!) USER MOD Single : A 161 GLN :FLIP amide:sc= -0.0221 F(o=-0.92,f=-0.022) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ -110:sc= -1.45 (180deg=-3.94!) USER MOD Single : A 172 SER OG : rot 117:sc= 0.309 USER MOD Single : A 173 SER OG : rot 160:sc= 0.0848 USER MOD Single : A 174 CYS SG : rot -38:sc= -2.99! USER MOD Single : A 176 LYS NZ :NH3+ 151:sc= -3.54! (180deg=-6.3!) USER MOD Single : A 178 GLN : amide:sc= -2.81 K(o=-2.8,f=-5.5!) USER MOD Single : A 181 LYS NZ :NH3+ 158:sc= -0.0656 (180deg=-0.83) USER MOD Single : A 183 SER OG : rot -35:sc= 0.761 USER MOD Single : A 188 THR OG1 : rot -90:sc= -5.33! USER MOD Single : A 191 LYS NZ :NH3+ -157:sc= -0.0746 (180deg=-0.547) USER MOD ----------------------------------------------------------------- ATOM 75 N LEU A 118 -10.150 -7.565 3.187 1.00 1.44 N ATOM 76 CA LEU A 118 -9.035 -6.725 2.720 1.00 1.29 C ATOM 77 C LEU A 118 -7.804 -7.506 2.318 1.00 0.93 C ATOM 78 O LEU A 118 -7.080 -8.007 3.165 1.00 0.99 O ATOM 79 CB LEU A 118 -8.635 -5.746 3.813 1.00 1.74 C ATOM 80 CG LEU A 118 -9.789 -5.231 4.684 1.00 2.42 C ATOM 81 CD1 LEU A 118 -9.261 -4.630 5.975 1.00 3.17 C ATOM 82 CD2 LEU A 118 -10.615 -4.206 3.924 1.00 2.96 C ATOM 0 HA LEU A 118 -9.404 -6.213 1.831 1.00 1.29 H new ATOM 0 HB2 LEU A 118 -7.901 -6.227 4.459 1.00 1.74 H new ATOM 0 HB3 LEU A 118 -8.141 -4.892 3.350 1.00 1.74 H new ATOM 0 HG LEU A 118 -10.429 -6.077 4.934 1.00 2.42 H new ATOM 0 HD11 LEU A 118 -10.096 -4.271 6.577 1.00 3.17 H new ATOM 0 HD12 LEU A 118 -8.712 -5.389 6.532 1.00 3.17 H new ATOM 0 HD13 LEU A 118 -8.596 -3.798 5.744 1.00 3.17 H new ATOM 0 HD21 LEU A 118 -11.428 -3.852 4.557 1.00 2.96 H new ATOM 0 HD22 LEU A 118 -9.982 -3.365 3.643 1.00 2.96 H new ATOM 0 HD23 LEU A 118 -11.028 -4.665 3.026 1.00 2.96 H new ATOM 94 N ASP A 119 -7.451 -7.451 1.051 1.00 0.79 N ATOM 95 CA ASP A 119 -6.459 -8.379 0.556 1.00 0.65 C ATOM 96 C ASP A 119 -5.271 -7.663 -0.068 1.00 0.56 C ATOM 97 O ASP A 119 -5.425 -6.759 -0.880 1.00 0.59 O ATOM 98 CB ASP A 119 -7.100 -9.335 -0.454 1.00 0.84 C ATOM 99 CG ASP A 119 -6.167 -10.443 -0.902 1.00 1.06 C ATOM 100 OD1 ASP A 119 -5.587 -10.321 -2.000 1.00 1.51 O ATOM 101 OD2 ASP A 119 -5.985 -11.421 -0.153 1.00 1.42 O ATOM 0 H ASP A 119 -7.823 -6.795 0.364 1.00 0.79 H new ATOM 0 HA ASP A 119 -6.081 -8.949 1.405 1.00 0.65 H new ATOM 0 HB2 ASP A 119 -7.992 -9.777 -0.011 1.00 0.84 H new ATOM 0 HB3 ASP A 119 -7.425 -8.768 -1.326 1.00 0.84 H new ATOM 106 N TRP A 120 -4.088 -8.077 0.340 1.00 0.54 N ATOM 107 CA TRP A 120 -2.844 -7.547 -0.172 1.00 0.57 C ATOM 108 C TRP A 120 -1.959 -8.689 -0.604 1.00 0.74 C ATOM 109 O TRP A 120 -2.213 -9.847 -0.267 1.00 0.85 O ATOM 110 CB TRP A 120 -2.127 -6.773 0.925 1.00 0.65 C ATOM 111 CG TRP A 120 -3.091 -6.056 1.806 1.00 0.64 C ATOM 112 CD1 TRP A 120 -3.996 -5.135 1.405 1.00 0.60 C ATOM 113 CD2 TRP A 120 -3.290 -6.238 3.212 1.00 0.76 C ATOM 114 NE1 TRP A 120 -4.741 -4.700 2.473 1.00 0.73 N ATOM 115 CE2 TRP A 120 -4.327 -5.367 3.598 1.00 0.82 C ATOM 116 CE3 TRP A 120 -2.693 -7.045 4.185 1.00 0.88 C ATOM 117 CZ2 TRP A 120 -4.775 -5.280 4.912 1.00 0.99 C ATOM 118 CZ3 TRP A 120 -3.141 -6.958 5.490 1.00 1.02 C ATOM 119 CH2 TRP A 120 -4.175 -6.082 5.842 1.00 1.08 C ATOM 0 H TRP A 120 -3.964 -8.802 1.047 1.00 0.54 H new ATOM 0 HA TRP A 120 -3.055 -6.889 -1.015 1.00 0.57 H new ATOM 0 HB2 TRP A 120 -1.527 -7.459 1.523 1.00 0.65 H new ATOM 0 HB3 TRP A 120 -1.440 -6.056 0.476 1.00 0.65 H new ATOM 0 HD1 TRP A 120 -4.116 -4.790 0.389 1.00 0.60 H new ATOM 0 HE1 TRP A 120 -5.480 -3.998 2.436 1.00 0.73 H new ATOM 0 HE3 TRP A 120 -1.896 -7.724 3.922 1.00 0.88 H new ATOM 0 HZ2 TRP A 120 -5.569 -4.602 5.188 1.00 0.99 H new ATOM 0 HZ3 TRP A 120 -2.686 -7.576 6.250 1.00 1.02 H new ATOM 0 HH2 TRP A 120 -4.505 -6.039 6.869 1.00 1.08 H new ATOM 130 N ARG A 121 -0.935 -8.366 -1.345 1.00 0.81 N ATOM 131 CA ARG A 121 0.105 -9.311 -1.631 1.00 1.06 C ATOM 132 C ARG A 121 1.409 -8.567 -1.833 1.00 1.14 C ATOM 133 O ARG A 121 1.436 -7.473 -2.388 1.00 1.05 O ATOM 134 CB ARG A 121 -0.264 -10.189 -2.825 1.00 1.20 C ATOM 135 CG ARG A 121 -0.397 -9.475 -4.167 1.00 1.31 C ATOM 136 CD ARG A 121 0.946 -9.306 -4.849 1.00 1.18 C ATOM 137 NE ARG A 121 1.674 -10.576 -4.920 1.00 1.60 N ATOM 138 CZ ARG A 121 2.501 -10.928 -5.904 1.00 1.99 C ATOM 139 NH1 ARG A 121 2.755 -10.099 -6.911 1.00 2.34 N ATOM 140 NH2 ARG A 121 3.088 -12.118 -5.872 1.00 2.57 N ATOM 0 H ARG A 121 -0.800 -7.446 -1.764 1.00 0.81 H new ATOM 0 HA ARG A 121 0.230 -9.989 -0.787 1.00 1.06 H new ATOM 0 HB2 ARG A 121 0.492 -10.968 -2.924 1.00 1.20 H new ATOM 0 HB3 ARG A 121 -1.209 -10.687 -2.606 1.00 1.20 H new ATOM 0 HG2 ARG A 121 -1.066 -10.041 -4.816 1.00 1.31 H new ATOM 0 HG3 ARG A 121 -0.853 -8.497 -4.015 1.00 1.31 H new ATOM 0 HD2 ARG A 121 0.798 -8.913 -5.855 1.00 1.18 H new ATOM 0 HD3 ARG A 121 1.542 -8.573 -4.305 1.00 1.18 H new ATOM 0 HE ARG A 121 1.537 -11.241 -4.159 1.00 1.60 H new ATOM 0 HH11 ARG A 121 2.315 -9.179 -6.938 1.00 2.34 H new ATOM 0 HH12 ARG A 121 3.390 -10.382 -7.657 1.00 2.34 H new ATOM 0 HH21 ARG A 121 2.905 -12.756 -5.098 1.00 2.57 H new ATOM 0 HH22 ARG A 121 3.722 -12.394 -6.622 1.00 2.57 H new ATOM 154 N GLN A 122 2.482 -9.146 -1.364 1.00 1.38 N ATOM 155 CA GLN A 122 3.796 -8.564 -1.547 1.00 1.54 C ATOM 156 C GLN A 122 4.706 -9.566 -2.220 1.00 1.87 C ATOM 157 O GLN A 122 4.692 -10.753 -1.894 1.00 2.08 O ATOM 158 CB GLN A 122 4.341 -8.153 -0.168 1.00 1.73 C ATOM 159 CG GLN A 122 5.861 -8.106 -0.045 1.00 2.15 C ATOM 160 CD GLN A 122 6.496 -6.886 -0.682 1.00 2.06 C ATOM 161 OE1 GLN A 122 7.520 -6.397 -0.211 1.00 2.16 O ATOM 162 NE2 GLN A 122 5.906 -6.379 -1.747 1.00 1.91 N ATOM 0 H GLN A 122 2.477 -10.026 -0.848 1.00 1.38 H new ATOM 0 HA GLN A 122 3.742 -7.682 -2.185 1.00 1.54 H new ATOM 0 HB2 GLN A 122 3.944 -7.169 0.081 1.00 1.73 H new ATOM 0 HB3 GLN A 122 3.956 -8.849 0.577 1.00 1.73 H new ATOM 0 HG2 GLN A 122 6.130 -8.133 1.011 1.00 2.15 H new ATOM 0 HG3 GLN A 122 6.280 -9.002 -0.504 1.00 2.15 H new ATOM 0 HE21 GLN A 122 5.057 -6.809 -2.113 1.00 1.91 H new ATOM 0 HE22 GLN A 122 6.299 -5.557 -2.205 1.00 1.91 H new ATOM 171 N SER A 123 5.478 -9.084 -3.169 1.00 1.94 N ATOM 172 CA SER A 123 6.462 -9.873 -3.829 1.00 2.32 C ATOM 173 C SER A 123 7.714 -9.025 -3.965 1.00 2.43 C ATOM 174 O SER A 123 7.669 -7.819 -3.710 1.00 2.22 O ATOM 175 CB SER A 123 5.904 -10.295 -5.181 1.00 2.41 C ATOM 176 OG SER A 123 6.669 -11.336 -5.768 1.00 2.83 O ATOM 0 H SER A 123 5.430 -8.120 -3.499 1.00 1.94 H new ATOM 0 HA SER A 123 6.714 -10.776 -3.273 1.00 2.32 H new ATOM 0 HB2 SER A 123 4.873 -10.626 -5.061 1.00 2.41 H new ATOM 0 HB3 SER A 123 5.887 -9.435 -5.851 1.00 2.41 H new ATOM 0 HG SER A 123 6.279 -11.581 -6.633 1.00 2.83 H new ATOM 182 N ALA A 124 8.802 -9.620 -4.409 1.00 2.77 N ATOM 183 CA ALA A 124 10.065 -8.907 -4.556 1.00 2.93 C ATOM 184 C ALA A 124 9.958 -7.797 -5.593 1.00 2.70 C ATOM 185 O ALA A 124 10.821 -6.926 -5.708 1.00 2.77 O ATOM 186 CB ALA A 124 11.139 -9.893 -4.955 1.00 3.35 C ATOM 0 H ALA A 124 8.842 -10.603 -4.678 1.00 2.77 H new ATOM 0 HA ALA A 124 10.320 -8.442 -3.604 1.00 2.93 H new ATOM 0 HB1 ALA A 124 12.089 -9.370 -5.068 1.00 3.35 H new ATOM 0 HB2 ALA A 124 11.235 -10.658 -4.184 1.00 3.35 H new ATOM 0 HB3 ALA A 124 10.869 -10.363 -5.901 1.00 3.35 H new ATOM 192 N GLU A 125 8.873 -7.852 -6.317 1.00 2.48 N ATOM 193 CA GLU A 125 8.648 -7.040 -7.486 1.00 2.35 C ATOM 194 C GLU A 125 7.650 -5.917 -7.227 1.00 1.91 C ATOM 195 O GLU A 125 7.683 -4.889 -7.897 1.00 1.78 O ATOM 196 CB GLU A 125 8.099 -7.969 -8.545 1.00 2.56 C ATOM 197 CG GLU A 125 7.147 -8.987 -7.934 1.00 2.56 C ATOM 198 CD GLU A 125 6.474 -9.877 -8.955 1.00 2.86 C ATOM 199 OE1 GLU A 125 7.052 -10.925 -9.304 1.00 3.11 O ATOM 200 OE2 GLU A 125 5.356 -9.552 -9.392 1.00 2.98 O ATOM 0 H GLU A 125 8.098 -8.480 -6.105 1.00 2.48 H new ATOM 0 HA GLU A 125 9.580 -6.563 -7.790 1.00 2.35 H new ATOM 0 HB2 GLU A 125 7.578 -7.390 -9.308 1.00 2.56 H new ATOM 0 HB3 GLU A 125 8.920 -8.486 -9.042 1.00 2.56 H new ATOM 0 HG2 GLU A 125 7.698 -9.609 -7.229 1.00 2.56 H new ATOM 0 HG3 GLU A 125 6.382 -8.460 -7.364 1.00 2.56 H new ATOM 207 N GLU A 126 6.745 -6.124 -6.275 1.00 1.72 N ATOM 208 CA GLU A 126 5.648 -5.196 -6.067 1.00 1.33 C ATOM 209 C GLU A 126 4.998 -5.380 -4.719 1.00 1.27 C ATOM 210 O GLU A 126 4.899 -6.499 -4.208 1.00 1.55 O ATOM 211 CB GLU A 126 4.600 -5.385 -7.163 1.00 1.42 C ATOM 212 CG GLU A 126 4.352 -6.847 -7.487 1.00 1.81 C ATOM 213 CD GLU A 126 2.995 -7.098 -8.105 1.00 1.94 C ATOM 214 OE1 GLU A 126 2.106 -7.618 -7.398 1.00 2.06 O ATOM 215 OE2 GLU A 126 2.806 -6.793 -9.301 1.00 2.15 O ATOM 0 H GLU A 126 6.753 -6.923 -5.641 1.00 1.72 H new ATOM 0 HA GLU A 126 6.060 -4.187 -6.105 1.00 1.33 H new ATOM 0 HB2 GLU A 126 3.664 -4.922 -6.850 1.00 1.42 H new ATOM 0 HB3 GLU A 126 4.925 -4.867 -8.065 1.00 1.42 H new ATOM 0 HG2 GLU A 126 5.126 -7.197 -8.170 1.00 1.81 H new ATOM 0 HG3 GLU A 126 4.443 -7.435 -6.574 1.00 1.81 H new ATOM 222 N VAL A 127 4.543 -4.278 -4.147 1.00 0.96 N ATOM 223 CA VAL A 127 3.664 -4.361 -3.002 1.00 0.93 C ATOM 224 C VAL A 127 2.266 -4.017 -3.466 1.00 0.66 C ATOM 225 O VAL A 127 2.036 -2.985 -4.097 1.00 0.53 O ATOM 226 CB VAL A 127 4.081 -3.467 -1.790 1.00 1.08 C ATOM 227 CG1 VAL A 127 3.086 -2.350 -1.546 1.00 1.31 C ATOM 228 CG2 VAL A 127 4.199 -4.300 -0.526 1.00 1.53 C ATOM 0 H VAL A 127 4.765 -3.331 -4.453 1.00 0.96 H new ATOM 0 HA VAL A 127 3.723 -5.379 -2.618 1.00 0.93 H new ATOM 0 HB VAL A 127 5.047 -3.028 -2.039 1.00 1.08 H new ATOM 0 HG11 VAL A 127 3.412 -1.752 -0.695 1.00 1.31 H new ATOM 0 HG12 VAL A 127 3.024 -1.718 -2.432 1.00 1.31 H new ATOM 0 HG13 VAL A 127 2.105 -2.776 -1.335 1.00 1.31 H new ATOM 0 HG21 VAL A 127 4.490 -3.659 0.306 1.00 1.53 H new ATOM 0 HG22 VAL A 127 3.238 -4.766 -0.306 1.00 1.53 H new ATOM 0 HG23 VAL A 127 4.953 -5.074 -0.669 1.00 1.53 H new ATOM 238 N ILE A 128 1.371 -4.946 -3.236 1.00 0.64 N ATOM 239 CA ILE A 128 -0.011 -4.799 -3.602 1.00 0.48 C ATOM 240 C ILE A 128 -0.886 -4.822 -2.383 1.00 0.46 C ATOM 241 O ILE A 128 -0.904 -5.788 -1.642 1.00 0.56 O ATOM 242 CB ILE A 128 -0.446 -5.893 -4.593 1.00 0.56 C ATOM 243 CG1 ILE A 128 0.258 -5.645 -5.912 1.00 0.64 C ATOM 244 CG2 ILE A 128 -1.947 -5.877 -4.772 1.00 0.55 C ATOM 245 CD1 ILE A 128 0.261 -4.180 -6.250 1.00 0.55 C ATOM 0 H ILE A 128 1.587 -5.835 -2.784 1.00 0.64 H new ATOM 0 HA ILE A 128 -0.123 -3.833 -4.095 1.00 0.48 H new ATOM 0 HB ILE A 128 -0.173 -6.876 -4.210 1.00 0.56 H new ATOM 0 HG12 ILE A 128 1.283 -6.012 -5.857 1.00 0.64 H new ATOM 0 HG13 ILE A 128 -0.238 -6.204 -6.705 1.00 0.64 H new ATOM 0 HG21 ILE A 128 -2.238 -6.657 -5.476 1.00 0.55 H new ATOM 0 HG22 ILE A 128 -2.430 -6.057 -3.811 1.00 0.55 H new ATOM 0 HG23 ILE A 128 -2.257 -4.906 -5.158 1.00 0.55 H new ATOM 0 HD11 ILE A 128 0.772 -4.027 -7.201 1.00 0.55 H new ATOM 0 HD12 ILE A 128 -0.766 -3.822 -6.328 1.00 0.55 H new ATOM 0 HD13 ILE A 128 0.779 -3.627 -5.467 1.00 0.55 H new ATOM 257 N VAL A 129 -1.578 -3.736 -2.163 1.00 0.39 N ATOM 258 CA VAL A 129 -2.545 -3.664 -1.097 1.00 0.42 C ATOM 259 C VAL A 129 -3.871 -3.211 -1.686 1.00 0.36 C ATOM 260 O VAL A 129 -3.955 -2.169 -2.332 1.00 0.37 O ATOM 261 CB VAL A 129 -2.045 -2.714 0.023 1.00 0.52 C ATOM 262 CG1 VAL A 129 -1.373 -1.522 -0.588 1.00 0.73 C ATOM 263 CG2 VAL A 129 -3.161 -2.253 0.945 1.00 0.79 C ATOM 0 H VAL A 129 -1.490 -2.881 -2.712 1.00 0.39 H new ATOM 0 HA VAL A 129 -2.683 -4.642 -0.636 1.00 0.42 H new ATOM 0 HB VAL A 129 -1.338 -3.279 0.630 1.00 0.52 H new ATOM 0 HG11 VAL A 129 -1.023 -0.857 0.202 1.00 0.73 H new ATOM 0 HG12 VAL A 129 -0.524 -1.851 -1.188 1.00 0.73 H new ATOM 0 HG13 VAL A 129 -2.082 -0.990 -1.223 1.00 0.73 H new ATOM 0 HG21 VAL A 129 -2.752 -1.591 1.708 1.00 0.79 H new ATOM 0 HG22 VAL A 129 -3.914 -1.718 0.366 1.00 0.79 H new ATOM 0 HG23 VAL A 129 -3.619 -3.119 1.423 1.00 0.79 H new ATOM 273 N LYS A 130 -4.877 -4.043 -1.509 1.00 0.36 N ATOM 274 CA LYS A 130 -6.190 -3.810 -2.041 1.00 0.33 C ATOM 275 C LYS A 130 -7.159 -3.682 -0.894 1.00 0.37 C ATOM 276 O LYS A 130 -7.325 -4.600 -0.081 1.00 0.43 O ATOM 277 CB LYS A 130 -6.631 -4.944 -2.966 1.00 0.37 C ATOM 278 CG LYS A 130 -5.557 -5.419 -3.928 1.00 0.83 C ATOM 279 CD LYS A 130 -5.979 -6.698 -4.636 1.00 1.18 C ATOM 280 CE LYS A 130 -6.110 -7.858 -3.661 1.00 1.57 C ATOM 281 NZ LYS A 130 -6.517 -9.124 -4.327 1.00 1.50 N ATOM 0 H LYS A 130 -4.796 -4.912 -0.982 1.00 0.36 H new ATOM 0 HA LYS A 130 -6.171 -2.893 -2.630 1.00 0.33 H new ATOM 0 HB2 LYS A 130 -6.956 -5.788 -2.358 1.00 0.37 H new ATOM 0 HB3 LYS A 130 -7.496 -4.613 -3.540 1.00 0.37 H new ATOM 0 HG2 LYS A 130 -5.356 -4.642 -4.665 1.00 0.83 H new ATOM 0 HG3 LYS A 130 -4.628 -5.591 -3.384 1.00 0.83 H new ATOM 0 HD2 LYS A 130 -6.931 -6.538 -5.142 1.00 1.18 H new ATOM 0 HD3 LYS A 130 -5.247 -6.948 -5.404 1.00 1.18 H new ATOM 0 HE2 LYS A 130 -5.158 -8.009 -3.153 1.00 1.57 H new ATOM 0 HE3 LYS A 130 -6.843 -7.603 -2.896 1.00 1.57 H new ATOM 0 HZ1 LYS A 130 -6.286 -9.930 -3.712 1.00 1.50 H new ATOM 0 HZ2 LYS A 130 -7.541 -9.108 -4.506 1.00 1.50 H new ATOM 0 HZ3 LYS A 130 -6.009 -9.220 -5.229 1.00 1.50 H new ATOM 295 N LEU A 131 -7.787 -2.542 -0.835 1.00 0.38 N ATOM 296 CA LEU A 131 -8.594 -2.176 0.287 1.00 0.47 C ATOM 297 C LEU A 131 -10.059 -2.141 -0.128 1.00 0.45 C ATOM 298 O LEU A 131 -10.382 -1.716 -1.227 1.00 0.41 O ATOM 299 CB LEU A 131 -8.079 -0.828 0.778 1.00 0.51 C ATOM 300 CG LEU A 131 -6.548 -0.762 0.898 1.00 0.60 C ATOM 301 CD1 LEU A 131 -5.983 0.282 -0.051 1.00 0.72 C ATOM 302 CD2 LEU A 131 -6.121 -0.456 2.319 1.00 0.96 C ATOM 0 H LEU A 131 -7.751 -1.837 -1.571 1.00 0.38 H new ATOM 0 HA LEU A 131 -8.528 -2.898 1.101 1.00 0.47 H new ATOM 0 HB2 LEU A 131 -8.416 -0.049 0.094 1.00 0.51 H new ATOM 0 HB3 LEU A 131 -8.521 -0.612 1.750 1.00 0.51 H new ATOM 0 HG LEU A 131 -6.152 -1.740 0.626 1.00 0.60 H new ATOM 0 HD11 LEU A 131 -4.898 0.314 0.048 1.00 0.72 H new ATOM 0 HD12 LEU A 131 -6.246 0.022 -1.076 1.00 0.72 H new ATOM 0 HD13 LEU A 131 -6.399 1.259 0.194 1.00 0.72 H new ATOM 0 HD21 LEU A 131 -5.033 -0.416 2.371 1.00 0.96 H new ATOM 0 HD22 LEU A 131 -6.535 0.505 2.624 1.00 0.96 H new ATOM 0 HD23 LEU A 131 -6.488 -1.237 2.985 1.00 0.96 H new ATOM 314 N ARG A 132 -10.931 -2.636 0.728 1.00 0.57 N ATOM 315 CA ARG A 132 -12.333 -2.781 0.398 1.00 0.63 C ATOM 316 C ARG A 132 -13.164 -1.659 1.023 1.00 0.60 C ATOM 317 O ARG A 132 -13.254 -1.544 2.244 1.00 0.67 O ATOM 318 CB ARG A 132 -12.803 -4.164 0.870 1.00 0.85 C ATOM 319 CG ARG A 132 -14.255 -4.221 1.289 1.00 1.32 C ATOM 320 CD ARG A 132 -15.199 -4.153 0.104 1.00 1.84 C ATOM 321 NE ARG A 132 -16.599 -4.109 0.526 1.00 2.53 N ATOM 322 CZ ARG A 132 -17.629 -4.341 -0.282 1.00 3.25 C ATOM 323 NH1 ARG A 132 -17.418 -4.776 -1.517 1.00 3.46 N ATOM 324 NH2 ARG A 132 -18.871 -4.176 0.159 1.00 4.13 N ATOM 0 H ARG A 132 -10.688 -2.948 1.668 1.00 0.57 H new ATOM 0 HA ARG A 132 -12.469 -2.704 -0.681 1.00 0.63 H new ATOM 0 HB2 ARG A 132 -12.641 -4.883 0.067 1.00 0.85 H new ATOM 0 HB3 ARG A 132 -12.183 -4.478 1.709 1.00 0.85 H new ATOM 0 HG2 ARG A 132 -14.435 -5.143 1.842 1.00 1.32 H new ATOM 0 HG3 ARG A 132 -14.468 -3.395 1.968 1.00 1.32 H new ATOM 0 HD2 ARG A 132 -14.971 -3.269 -0.492 1.00 1.84 H new ATOM 0 HD3 ARG A 132 -15.040 -5.020 -0.538 1.00 1.84 H new ATOM 0 HE ARG A 132 -16.797 -3.886 1.501 1.00 2.53 H new ATOM 0 HH11 ARG A 132 -16.466 -4.933 -1.847 1.00 3.46 H new ATOM 0 HH12 ARG A 132 -18.208 -4.954 -2.137 1.00 3.46 H new ATOM 0 HH21 ARG A 132 -19.035 -3.871 1.118 1.00 4.13 H new ATOM 0 HH22 ARG A 132 -19.660 -4.354 -0.462 1.00 4.13 H new ATOM 338 N VAL A 133 -13.762 -0.836 0.171 1.00 0.60 N ATOM 339 CA VAL A 133 -14.629 0.247 0.620 1.00 0.57 C ATOM 340 C VAL A 133 -16.098 -0.146 0.494 1.00 0.81 C ATOM 341 O VAL A 133 -16.502 -0.779 -0.483 1.00 0.99 O ATOM 342 CB VAL A 133 -14.373 1.547 -0.173 1.00 0.62 C ATOM 343 CG1 VAL A 133 -15.452 2.567 0.093 1.00 0.81 C ATOM 344 CG2 VAL A 133 -13.025 2.137 0.175 1.00 0.99 C ATOM 0 H VAL A 133 -13.662 -0.899 -0.842 1.00 0.60 H new ATOM 0 HA VAL A 133 -14.394 0.431 1.668 1.00 0.57 H new ATOM 0 HB VAL A 133 -14.385 1.289 -1.232 1.00 0.62 H new ATOM 0 HG11 VAL A 133 -15.246 3.472 -0.478 1.00 0.81 H new ATOM 0 HG12 VAL A 133 -16.418 2.161 -0.206 1.00 0.81 H new ATOM 0 HG13 VAL A 133 -15.473 2.806 1.156 1.00 0.81 H new ATOM 0 HG21 VAL A 133 -12.870 3.052 -0.397 1.00 0.99 H new ATOM 0 HG22 VAL A 133 -12.992 2.365 1.240 1.00 0.99 H new ATOM 0 HG23 VAL A 133 -12.241 1.420 -0.067 1.00 0.99 H new ATOM 354 N GLY A 134 -16.882 0.224 1.498 1.00 0.96 N ATOM 355 CA GLY A 134 -18.301 -0.044 1.477 1.00 1.24 C ATOM 356 C GLY A 134 -19.108 1.155 1.879 1.00 1.32 C ATOM 357 O GLY A 134 -20.113 1.022 2.572 1.00 1.54 O ATOM 0 H GLY A 134 -16.553 0.709 2.333 1.00 0.96 H new ATOM 0 HA2 GLY A 134 -18.595 -0.359 0.476 1.00 1.24 H new ATOM 0 HA3 GLY A 134 -18.523 -0.872 2.150 1.00 1.24 H new ATOM 361 N VAL A 135 -18.682 2.335 1.468 1.00 1.26 N ATOM 362 CA VAL A 135 -19.390 3.527 1.848 1.00 1.46 C ATOM 363 C VAL A 135 -20.401 3.902 0.764 1.00 1.62 C ATOM 364 O VAL A 135 -21.326 4.682 0.987 1.00 2.18 O ATOM 365 CB VAL A 135 -18.417 4.697 2.126 1.00 1.46 C ATOM 366 CG1 VAL A 135 -17.594 5.022 0.890 1.00 1.28 C ATOM 367 CG2 VAL A 135 -19.157 5.930 2.630 1.00 1.79 C ATOM 0 H VAL A 135 -17.862 2.486 0.881 1.00 1.26 H new ATOM 0 HA VAL A 135 -19.927 3.326 2.775 1.00 1.46 H new ATOM 0 HB VAL A 135 -17.734 4.380 2.914 1.00 1.46 H new ATOM 0 HG11 VAL A 135 -16.917 5.848 1.110 1.00 1.28 H new ATOM 0 HG12 VAL A 135 -17.015 4.146 0.598 1.00 1.28 H new ATOM 0 HG13 VAL A 135 -18.259 5.306 0.074 1.00 1.28 H new ATOM 0 HG21 VAL A 135 -18.443 6.733 2.815 1.00 1.79 H new ATOM 0 HG22 VAL A 135 -19.879 6.253 1.880 1.00 1.79 H new ATOM 0 HG23 VAL A 135 -19.679 5.688 3.556 1.00 1.79 H new ATOM 377 N GLY A 136 -20.234 3.291 -0.397 1.00 1.55 N ATOM 378 CA GLY A 136 -21.063 3.605 -1.540 1.00 1.67 C ATOM 379 C GLY A 136 -20.210 3.934 -2.743 1.00 1.53 C ATOM 380 O GLY A 136 -19.717 3.029 -3.420 1.00 1.55 O ATOM 0 H GLY A 136 -19.529 2.574 -0.569 1.00 1.55 H new ATOM 0 HA2 GLY A 136 -21.712 2.760 -1.768 1.00 1.67 H new ATOM 0 HA3 GLY A 136 -21.711 4.450 -1.305 1.00 1.67 H new ATOM 384 N PRO A 137 -20.009 5.223 -3.031 1.00 1.48 N ATOM 385 CA PRO A 137 -19.131 5.665 -4.104 1.00 1.43 C ATOM 386 C PRO A 137 -17.676 5.574 -3.700 1.00 1.16 C ATOM 387 O PRO A 137 -17.335 5.742 -2.532 1.00 1.06 O ATOM 388 CB PRO A 137 -19.535 7.129 -4.339 1.00 1.57 C ATOM 389 CG PRO A 137 -20.685 7.392 -3.416 1.00 1.71 C ATOM 390 CD PRO A 137 -20.592 6.367 -2.326 1.00 1.57 C ATOM 0 HA PRO A 137 -19.231 5.048 -4.997 1.00 1.43 H new ATOM 0 HB2 PRO A 137 -18.704 7.802 -4.129 1.00 1.57 H new ATOM 0 HB3 PRO A 137 -19.823 7.293 -5.378 1.00 1.57 H new ATOM 0 HG2 PRO A 137 -20.632 8.401 -3.007 1.00 1.71 H new ATOM 0 HG3 PRO A 137 -21.635 7.312 -3.945 1.00 1.71 H new ATOM 0 HD2 PRO A 137 -19.962 6.703 -1.503 1.00 1.57 H new ATOM 0 HD3 PRO A 137 -21.569 6.131 -1.904 1.00 1.57 H new ATOM 398 N LEU A 138 -16.833 5.264 -4.661 1.00 1.15 N ATOM 399 CA LEU A 138 -15.417 5.296 -4.475 1.00 0.96 C ATOM 400 C LEU A 138 -14.856 6.541 -5.118 1.00 0.97 C ATOM 401 O LEU A 138 -14.981 6.755 -6.328 1.00 1.14 O ATOM 402 CB LEU A 138 -14.799 4.058 -5.091 1.00 1.06 C ATOM 403 CG LEU A 138 -14.603 2.889 -4.130 1.00 0.85 C ATOM 404 CD1 LEU A 138 -13.798 3.336 -2.923 1.00 0.80 C ATOM 405 CD2 LEU A 138 -15.946 2.318 -3.694 1.00 1.69 C ATOM 0 H LEU A 138 -17.123 4.982 -5.597 1.00 1.15 H new ATOM 0 HA LEU A 138 -15.183 5.313 -3.411 1.00 0.96 H new ATOM 0 HB2 LEU A 138 -15.429 3.728 -5.917 1.00 1.06 H new ATOM 0 HB3 LEU A 138 -13.832 4.326 -5.516 1.00 1.06 H new ATOM 0 HG LEU A 138 -14.053 2.103 -4.648 1.00 0.85 H new ATOM 0 HD11 LEU A 138 -13.664 2.495 -2.243 1.00 0.80 H new ATOM 0 HD12 LEU A 138 -12.823 3.698 -3.250 1.00 0.80 H new ATOM 0 HD13 LEU A 138 -14.328 4.137 -2.408 1.00 0.80 H new ATOM 0 HD21 LEU A 138 -15.783 1.486 -3.009 1.00 1.69 H new ATOM 0 HD22 LEU A 138 -16.525 3.093 -3.192 1.00 1.69 H new ATOM 0 HD23 LEU A 138 -16.493 1.966 -4.569 1.00 1.69 H new ATOM 417 N GLN A 139 -14.267 7.361 -4.293 1.00 0.83 N ATOM 418 CA GLN A 139 -13.685 8.601 -4.713 1.00 0.88 C ATOM 419 C GLN A 139 -12.218 8.615 -4.315 1.00 0.75 C ATOM 420 O GLN A 139 -11.806 7.800 -3.498 1.00 0.66 O ATOM 421 CB GLN A 139 -14.463 9.800 -4.153 1.00 0.96 C ATOM 422 CG GLN A 139 -14.666 9.787 -2.646 1.00 0.86 C ATOM 423 CD GLN A 139 -16.022 9.237 -2.217 1.00 0.89 C ATOM 424 OE1 GLN A 139 -17.015 9.965 -2.184 1.00 1.11 O ATOM 425 NE2 GLN A 139 -16.063 7.974 -1.826 1.00 0.93 N ATOM 0 H GLN A 139 -14.177 7.181 -3.293 1.00 0.83 H new ATOM 0 HA GLN A 139 -13.746 8.690 -5.798 1.00 0.88 H new ATOM 0 HB2 GLN A 139 -13.937 10.715 -4.426 1.00 0.96 H new ATOM 0 HB3 GLN A 139 -15.440 9.838 -4.636 1.00 0.96 H new ATOM 0 HG2 GLN A 139 -13.879 9.189 -2.187 1.00 0.86 H new ATOM 0 HG3 GLN A 139 -14.558 10.802 -2.265 1.00 0.86 H new ATOM 0 HE21 GLN A 139 -15.221 7.400 -1.867 1.00 0.93 H new ATOM 0 HE22 GLN A 139 -16.937 7.574 -1.484 1.00 0.93 H new ATOM 434 N LEU A 140 -11.419 9.473 -4.925 1.00 0.83 N ATOM 435 CA LEU A 140 -9.997 9.579 -4.582 1.00 0.79 C ATOM 436 C LEU A 140 -9.838 9.798 -3.081 1.00 0.65 C ATOM 437 O LEU A 140 -8.838 9.423 -2.472 1.00 0.70 O ATOM 438 CB LEU A 140 -9.353 10.717 -5.388 1.00 0.98 C ATOM 439 CG LEU A 140 -7.818 10.772 -5.384 1.00 1.73 C ATOM 440 CD1 LEU A 140 -7.291 11.500 -4.156 1.00 2.38 C ATOM 441 CD2 LEU A 140 -7.258 9.363 -5.453 1.00 2.60 C ATOM 0 H LEU A 140 -11.723 10.110 -5.661 1.00 0.83 H new ATOM 0 HA LEU A 140 -9.487 8.651 -4.840 1.00 0.79 H new ATOM 0 HB2 LEU A 140 -9.689 10.637 -6.422 1.00 0.98 H new ATOM 0 HB3 LEU A 140 -9.730 11.664 -5.003 1.00 0.98 H new ATOM 0 HG LEU A 140 -7.490 11.332 -6.260 1.00 1.73 H new ATOM 0 HD11 LEU A 140 -6.202 11.521 -4.185 1.00 2.38 H new ATOM 0 HD12 LEU A 140 -7.673 12.521 -4.146 1.00 2.38 H new ATOM 0 HD13 LEU A 140 -7.620 10.981 -3.256 1.00 2.38 H new ATOM 0 HD21 LEU A 140 -6.169 9.404 -5.450 1.00 2.60 H new ATOM 0 HD22 LEU A 140 -7.602 8.792 -4.591 1.00 2.60 H new ATOM 0 HD23 LEU A 140 -7.600 8.880 -6.368 1.00 2.60 H new ATOM 453 N GLU A 141 -10.878 10.353 -2.506 1.00 0.63 N ATOM 454 CA GLU A 141 -10.967 10.621 -1.089 1.00 0.64 C ATOM 455 C GLU A 141 -10.929 9.334 -0.253 1.00 0.59 C ATOM 456 O GLU A 141 -10.679 9.376 0.954 1.00 0.70 O ATOM 457 CB GLU A 141 -12.278 11.356 -0.881 1.00 0.78 C ATOM 458 CG GLU A 141 -12.799 11.355 0.532 1.00 1.06 C ATOM 459 CD GLU A 141 -12.772 12.722 1.179 1.00 1.78 C ATOM 460 OE1 GLU A 141 -12.582 12.804 2.413 1.00 2.58 O ATOM 461 OE2 GLU A 141 -12.929 13.725 0.458 1.00 2.05 O ATOM 0 H GLU A 141 -11.709 10.639 -3.024 1.00 0.63 H new ATOM 0 HA GLU A 141 -10.113 11.213 -0.761 1.00 0.64 H new ATOM 0 HB2 GLU A 141 -12.151 12.390 -1.203 1.00 0.78 H new ATOM 0 HB3 GLU A 141 -13.032 10.910 -1.529 1.00 0.78 H new ATOM 0 HG2 GLU A 141 -13.822 10.979 0.535 1.00 1.06 H new ATOM 0 HG3 GLU A 141 -12.205 10.665 1.131 1.00 1.06 H new ATOM 468 N ASP A 142 -11.124 8.186 -0.891 1.00 0.51 N ATOM 469 CA ASP A 142 -11.127 6.940 -0.180 1.00 0.51 C ATOM 470 C ASP A 142 -9.715 6.407 0.041 1.00 0.50 C ATOM 471 O ASP A 142 -9.517 5.457 0.797 1.00 0.56 O ATOM 472 CB ASP A 142 -11.915 5.893 -0.931 1.00 0.57 C ATOM 473 CG ASP A 142 -13.403 6.117 -0.860 1.00 1.64 C ATOM 474 OD1 ASP A 142 -13.985 6.522 -1.878 1.00 2.37 O ATOM 475 OD2 ASP A 142 -13.995 5.895 0.214 1.00 2.39 O ATOM 0 H ASP A 142 -11.280 8.105 -1.896 1.00 0.51 H new ATOM 0 HA ASP A 142 -11.590 7.138 0.787 1.00 0.51 H new ATOM 0 HB2 ASP A 142 -11.602 5.890 -1.975 1.00 0.57 H new ATOM 0 HB3 ASP A 142 -11.681 4.909 -0.525 1.00 0.57 H new ATOM 480 N VAL A 143 -8.730 7.013 -0.612 1.00 0.49 N ATOM 481 CA VAL A 143 -7.335 6.678 -0.353 1.00 0.47 C ATOM 482 C VAL A 143 -6.524 7.924 -0.023 1.00 0.47 C ATOM 483 O VAL A 143 -6.618 8.935 -0.716 1.00 0.59 O ATOM 484 CB VAL A 143 -6.668 5.939 -1.536 1.00 0.55 C ATOM 485 CG1 VAL A 143 -5.260 5.483 -1.165 1.00 0.53 C ATOM 486 CG2 VAL A 143 -7.502 4.747 -1.960 1.00 0.65 C ATOM 0 H VAL A 143 -8.870 7.734 -1.320 1.00 0.49 H new ATOM 0 HA VAL A 143 -7.343 6.005 0.504 1.00 0.47 H new ATOM 0 HB VAL A 143 -6.600 6.636 -2.371 1.00 0.55 H new ATOM 0 HG11 VAL A 143 -4.810 4.966 -2.012 1.00 0.53 H new ATOM 0 HG12 VAL A 143 -4.653 6.350 -0.906 1.00 0.53 H new ATOM 0 HG13 VAL A 143 -5.310 4.807 -0.312 1.00 0.53 H new ATOM 0 HG21 VAL A 143 -7.015 4.241 -2.794 1.00 0.65 H new ATOM 0 HG22 VAL A 143 -7.601 4.056 -1.123 1.00 0.65 H new ATOM 0 HG23 VAL A 143 -8.491 5.086 -2.269 1.00 0.65 H new ATOM 496 N ASP A 144 -5.724 7.860 1.023 1.00 0.40 N ATOM 497 CA ASP A 144 -4.705 8.873 1.233 1.00 0.41 C ATOM 498 C ASP A 144 -3.342 8.228 1.111 1.00 0.33 C ATOM 499 O ASP A 144 -2.882 7.541 2.013 1.00 0.33 O ATOM 500 CB ASP A 144 -4.831 9.561 2.596 1.00 0.47 C ATOM 501 CG ASP A 144 -5.786 10.732 2.578 1.00 0.91 C ATOM 502 OD1 ASP A 144 -5.470 11.746 1.930 1.00 1.11 O ATOM 503 OD2 ASP A 144 -6.839 10.651 3.238 1.00 1.52 O ATOM 0 H ASP A 144 -5.757 7.128 1.733 1.00 0.40 H new ATOM 0 HA ASP A 144 -4.839 9.644 0.474 1.00 0.41 H new ATOM 0 HB2 ASP A 144 -5.169 8.834 3.334 1.00 0.47 H new ATOM 0 HB3 ASP A 144 -3.848 9.906 2.916 1.00 0.47 H new ATOM 508 N ALA A 145 -2.691 8.428 -0.003 1.00 0.38 N ATOM 509 CA ALA A 145 -1.398 7.831 -0.192 1.00 0.36 C ATOM 510 C ALA A 145 -0.324 8.902 -0.226 1.00 0.39 C ATOM 511 O ALA A 145 -0.349 9.796 -1.070 1.00 0.47 O ATOM 512 CB ALA A 145 -1.376 6.996 -1.460 1.00 0.48 C ATOM 0 H ALA A 145 -3.029 8.992 -0.783 1.00 0.38 H new ATOM 0 HA ALA A 145 -1.192 7.169 0.649 1.00 0.36 H new ATOM 0 HB1 ALA A 145 -0.389 6.552 -1.586 1.00 0.48 H new ATOM 0 HB2 ALA A 145 -2.123 6.205 -1.388 1.00 0.48 H new ATOM 0 HB3 ALA A 145 -1.601 7.630 -2.317 1.00 0.48 H new ATOM 518 N ALA A 146 0.629 8.801 0.680 1.00 0.38 N ATOM 519 CA ALA A 146 1.718 9.764 0.744 1.00 0.49 C ATOM 520 C ALA A 146 2.987 9.047 0.372 1.00 0.48 C ATOM 521 O ALA A 146 3.110 7.876 0.633 1.00 0.66 O ATOM 522 CB ALA A 146 1.831 10.378 2.133 1.00 0.56 C ATOM 0 H ALA A 146 0.674 8.063 1.383 1.00 0.38 H new ATOM 0 HA ALA A 146 1.529 10.584 0.051 1.00 0.49 H new ATOM 0 HB1 ALA A 146 2.653 11.093 2.149 1.00 0.56 H new ATOM 0 HB2 ALA A 146 0.901 10.889 2.382 1.00 0.56 H new ATOM 0 HB3 ALA A 146 2.020 9.592 2.864 1.00 0.56 H new ATOM 528 N PHE A 147 3.890 9.683 -0.314 1.00 0.57 N ATOM 529 CA PHE A 147 5.101 8.992 -0.683 1.00 0.59 C ATOM 530 C PHE A 147 6.319 9.880 -0.492 1.00 0.68 C ATOM 531 O PHE A 147 6.263 11.089 -0.726 1.00 0.94 O ATOM 532 CB PHE A 147 4.954 8.476 -2.110 1.00 0.82 C ATOM 533 CG PHE A 147 5.027 9.568 -3.126 1.00 2.08 C ATOM 534 CD1 PHE A 147 6.243 9.947 -3.603 1.00 2.46 C ATOM 535 CD2 PHE A 147 3.890 10.219 -3.578 1.00 3.01 C ATOM 536 CE1 PHE A 147 6.360 10.968 -4.531 1.00 3.72 C ATOM 537 CE2 PHE A 147 3.987 11.238 -4.507 1.00 4.26 C ATOM 538 CZ PHE A 147 5.228 11.613 -4.985 1.00 4.62 C ATOM 0 H PHE A 147 3.821 10.652 -0.625 1.00 0.57 H new ATOM 0 HA PHE A 147 5.260 8.135 -0.028 1.00 0.59 H new ATOM 0 HB2 PHE A 147 5.737 7.745 -2.311 1.00 0.82 H new ATOM 0 HB3 PHE A 147 4.001 7.957 -2.208 1.00 0.82 H new ATOM 0 HD1 PHE A 147 7.132 9.443 -3.252 1.00 2.46 H new ATOM 0 HD2 PHE A 147 2.921 9.928 -3.201 1.00 3.01 H new ATOM 0 HE1 PHE A 147 7.333 11.258 -4.898 1.00 3.72 H new ATOM 0 HE2 PHE A 147 3.097 11.739 -4.858 1.00 4.26 H new ATOM 0 HZ PHE A 147 5.312 12.408 -5.711 1.00 4.62 H new ATOM 548 N THR A 148 7.391 9.281 -0.027 1.00 0.54 N ATOM 549 CA THR A 148 8.652 9.959 0.129 1.00 0.64 C ATOM 550 C THR A 148 9.763 9.123 -0.482 1.00 0.71 C ATOM 551 O THR A 148 9.571 7.945 -0.764 1.00 0.74 O ATOM 552 CB THR A 148 8.972 10.146 1.607 1.00 0.56 C ATOM 553 OG1 THR A 148 7.781 10.466 2.345 1.00 0.65 O ATOM 554 CG2 THR A 148 9.986 11.248 1.778 1.00 0.81 C ATOM 0 H THR A 148 7.410 8.301 0.255 1.00 0.54 H new ATOM 0 HA THR A 148 8.581 10.927 -0.366 1.00 0.64 H new ATOM 0 HB THR A 148 9.383 9.213 1.992 1.00 0.56 H new ATOM 0 HG1 THR A 148 8.007 10.597 3.290 1.00 0.65 H new ATOM 0 HG21 THR A 148 10.210 11.376 2.837 1.00 0.81 H new ATOM 0 HG22 THR A 148 10.899 10.988 1.243 1.00 0.81 H new ATOM 0 HG23 THR A 148 9.583 12.178 1.378 1.00 0.81 H new ATOM 562 N ASP A 149 10.946 9.704 -0.619 1.00 0.84 N ATOM 563 CA ASP A 149 12.078 8.972 -1.146 1.00 0.98 C ATOM 564 C ASP A 149 12.594 8.012 -0.111 1.00 0.79 C ATOM 565 O ASP A 149 13.454 7.184 -0.386 1.00 0.92 O ATOM 566 CB ASP A 149 13.217 9.890 -1.595 1.00 1.23 C ATOM 567 CG ASP A 149 12.906 10.661 -2.864 1.00 1.87 C ATOM 568 OD1 ASP A 149 12.440 11.814 -2.769 1.00 2.28 O ATOM 569 OD2 ASP A 149 13.106 10.107 -3.966 1.00 2.17 O ATOM 0 H ASP A 149 11.142 10.674 -0.373 1.00 0.84 H new ATOM 0 HA ASP A 149 11.725 8.432 -2.024 1.00 0.98 H new ATOM 0 HB2 ASP A 149 13.441 10.596 -0.795 1.00 1.23 H new ATOM 0 HB3 ASP A 149 14.115 9.292 -1.753 1.00 1.23 H new ATOM 574 N THR A 150 12.099 8.139 1.096 1.00 0.56 N ATOM 575 CA THR A 150 12.509 7.246 2.133 1.00 0.54 C ATOM 576 C THR A 150 11.315 6.583 2.810 1.00 0.64 C ATOM 577 O THR A 150 11.468 5.884 3.793 1.00 0.88 O ATOM 578 CB THR A 150 13.398 7.971 3.158 1.00 0.53 C ATOM 579 OG1 THR A 150 12.673 9.043 3.773 1.00 0.67 O ATOM 580 CG2 THR A 150 14.638 8.523 2.474 1.00 0.59 C ATOM 0 H THR A 150 11.419 8.846 1.375 1.00 0.56 H new ATOM 0 HA THR A 150 13.099 6.454 1.672 1.00 0.54 H new ATOM 0 HB THR A 150 13.697 7.257 3.925 1.00 0.53 H new ATOM 0 HG1 THR A 150 13.248 9.496 4.424 1.00 0.67 H new ATOM 0 HG21 THR A 150 15.261 9.034 3.208 1.00 0.59 H new ATOM 0 HG22 THR A 150 15.202 7.704 2.027 1.00 0.59 H new ATOM 0 HG23 THR A 150 14.342 9.227 1.696 1.00 0.59 H new ATOM 588 N ASP A 151 10.115 6.813 2.305 1.00 0.55 N ATOM 589 CA ASP A 151 8.943 6.148 2.866 1.00 0.63 C ATOM 590 C ASP A 151 7.750 6.317 1.960 1.00 0.57 C ATOM 591 O ASP A 151 7.829 7.022 0.977 1.00 0.54 O ATOM 592 CB ASP A 151 8.622 6.652 4.283 1.00 0.71 C ATOM 593 CG ASP A 151 8.359 8.141 4.349 1.00 0.79 C ATOM 594 OD1 ASP A 151 9.318 8.906 4.575 1.00 0.97 O ATOM 595 OD2 ASP A 151 7.190 8.557 4.195 1.00 1.00 O ATOM 0 H ASP A 151 9.924 7.441 1.524 1.00 0.55 H new ATOM 0 HA ASP A 151 9.177 5.086 2.942 1.00 0.63 H new ATOM 0 HB2 ASP A 151 7.749 6.120 4.660 1.00 0.71 H new ATOM 0 HB3 ASP A 151 9.454 6.408 4.944 1.00 0.71 H new ATOM 600 N CYS A 152 6.664 5.639 2.256 1.00 0.66 N ATOM 601 CA CYS A 152 5.430 5.882 1.561 1.00 0.61 C ATOM 602 C CYS A 152 4.245 5.404 2.395 1.00 0.63 C ATOM 603 O CYS A 152 4.410 4.658 3.361 1.00 0.85 O ATOM 604 CB CYS A 152 5.457 5.242 0.181 1.00 0.97 C ATOM 605 SG CYS A 152 5.780 3.463 0.189 1.00 1.56 S ATOM 0 H CYS A 152 6.615 4.916 2.974 1.00 0.66 H new ATOM 0 HA CYS A 152 5.311 6.956 1.415 1.00 0.61 H new ATOM 0 HB2 CYS A 152 4.500 5.423 -0.309 1.00 0.97 H new ATOM 0 HB3 CYS A 152 6.221 5.735 -0.420 1.00 0.97 H new ATOM 0 HG CYS A 152 5.759 3.013 -1.030 1.00 1.56 H new ATOM 611 N VAL A 153 3.067 5.869 2.020 1.00 0.49 N ATOM 612 CA VAL A 153 1.880 5.796 2.833 1.00 0.43 C ATOM 613 C VAL A 153 0.687 5.345 2.030 1.00 0.37 C ATOM 614 O VAL A 153 0.440 5.803 0.914 1.00 0.37 O ATOM 615 CB VAL A 153 1.606 7.171 3.474 1.00 0.43 C ATOM 616 CG1 VAL A 153 0.144 7.336 3.879 1.00 0.41 C ATOM 617 CG2 VAL A 153 2.515 7.388 4.675 1.00 0.60 C ATOM 0 H VAL A 153 2.912 6.318 1.117 1.00 0.49 H new ATOM 0 HA VAL A 153 2.047 5.057 3.616 1.00 0.43 H new ATOM 0 HB VAL A 153 1.822 7.928 2.720 1.00 0.43 H new ATOM 0 HG11 VAL A 153 -0.001 8.320 4.326 1.00 0.41 H new ATOM 0 HG12 VAL A 153 -0.491 7.241 2.998 1.00 0.41 H new ATOM 0 HG13 VAL A 153 -0.122 6.566 4.603 1.00 0.41 H new ATOM 0 HG21 VAL A 153 2.309 8.363 5.116 1.00 0.60 H new ATOM 0 HG22 VAL A 153 2.332 6.609 5.415 1.00 0.60 H new ATOM 0 HG23 VAL A 153 3.556 7.347 4.355 1.00 0.60 H new ATOM 627 N VAL A 154 -0.020 4.434 2.632 1.00 0.36 N ATOM 628 CA VAL A 154 -1.245 3.892 2.125 1.00 0.34 C ATOM 629 C VAL A 154 -2.349 4.226 3.098 1.00 0.28 C ATOM 630 O VAL A 154 -2.229 3.960 4.284 1.00 0.29 O ATOM 631 CB VAL A 154 -1.155 2.346 1.924 1.00 0.40 C ATOM 632 CG1 VAL A 154 -1.794 1.569 3.028 1.00 0.38 C ATOM 633 CG2 VAL A 154 -1.765 1.970 0.602 1.00 0.45 C ATOM 0 H VAL A 154 0.254 4.032 3.528 1.00 0.36 H new ATOM 0 HA VAL A 154 -1.449 4.330 1.148 1.00 0.34 H new ATOM 0 HB VAL A 154 -0.097 2.085 1.937 1.00 0.40 H new ATOM 0 HG11 VAL A 154 -1.696 0.502 2.826 1.00 0.38 H new ATOM 0 HG12 VAL A 154 -1.303 1.806 3.972 1.00 0.38 H new ATOM 0 HG13 VAL A 154 -2.850 1.830 3.093 1.00 0.38 H new ATOM 0 HG21 VAL A 154 -1.700 0.891 0.465 1.00 0.45 H new ATOM 0 HG22 VAL A 154 -2.811 2.276 0.584 1.00 0.45 H new ATOM 0 HG23 VAL A 154 -1.226 2.471 -0.203 1.00 0.45 H new ATOM 643 N ARG A 155 -3.373 4.899 2.657 1.00 0.30 N ATOM 644 CA ARG A 155 -4.497 5.083 3.528 1.00 0.33 C ATOM 645 C ARG A 155 -5.794 4.626 2.913 1.00 0.45 C ATOM 646 O ARG A 155 -6.116 4.953 1.775 1.00 0.63 O ATOM 647 CB ARG A 155 -4.595 6.514 3.995 1.00 0.46 C ATOM 648 CG ARG A 155 -5.768 6.787 4.916 1.00 0.79 C ATOM 649 CD ARG A 155 -6.926 7.410 4.160 1.00 1.06 C ATOM 650 NE ARG A 155 -7.871 8.076 5.055 1.00 1.59 N ATOM 651 CZ ARG A 155 -8.947 8.748 4.646 1.00 1.99 C ATOM 652 NH1 ARG A 155 -9.237 8.838 3.353 1.00 2.40 N ATOM 653 NH2 ARG A 155 -9.730 9.339 5.538 1.00 2.42 N ATOM 0 H ARG A 155 -3.454 5.317 1.730 1.00 0.30 H new ATOM 0 HA ARG A 155 -4.322 4.447 4.396 1.00 0.33 H new ATOM 0 HB2 ARG A 155 -3.672 6.780 4.511 1.00 0.46 H new ATOM 0 HB3 ARG A 155 -4.672 7.165 3.124 1.00 0.46 H new ATOM 0 HG2 ARG A 155 -6.093 5.856 5.381 1.00 0.79 H new ATOM 0 HG3 ARG A 155 -5.455 7.453 5.720 1.00 0.79 H new ATOM 0 HD2 ARG A 155 -6.542 8.130 3.438 1.00 1.06 H new ATOM 0 HD3 ARG A 155 -7.446 6.638 3.594 1.00 1.06 H new ATOM 0 HE ARG A 155 -7.695 8.023 6.058 1.00 1.59 H new ATOM 0 HH11 ARG A 155 -8.634 8.391 2.663 1.00 2.40 H new ATOM 0 HH12 ARG A 155 -10.063 9.355 3.050 1.00 2.40 H new ATOM 0 HH21 ARG A 155 -9.508 9.278 6.532 1.00 2.42 H new ATOM 0 HH22 ARG A 155 -10.555 9.855 5.231 1.00 2.42 H new ATOM 667 N PHE A 156 -6.528 3.887 3.696 1.00 0.44 N ATOM 668 CA PHE A 156 -7.881 3.518 3.380 1.00 0.49 C ATOM 669 C PHE A 156 -8.853 4.469 4.073 1.00 0.57 C ATOM 670 O PHE A 156 -8.555 4.990 5.146 1.00 0.71 O ATOM 671 CB PHE A 156 -8.107 2.073 3.812 1.00 0.60 C ATOM 672 CG PHE A 156 -9.539 1.627 3.864 1.00 0.59 C ATOM 673 CD1 PHE A 156 -10.233 1.328 2.710 1.00 0.56 C ATOM 674 CD2 PHE A 156 -10.184 1.496 5.085 1.00 0.77 C ATOM 675 CE1 PHE A 156 -11.546 0.911 2.770 1.00 0.65 C ATOM 676 CE2 PHE A 156 -11.497 1.080 5.150 1.00 0.82 C ATOM 677 CZ PHE A 156 -12.179 0.786 3.991 1.00 0.72 C ATOM 0 H PHE A 156 -6.198 3.517 4.588 1.00 0.44 H new ATOM 0 HA PHE A 156 -8.056 3.594 2.307 1.00 0.49 H new ATOM 0 HB2 PHE A 156 -7.566 1.419 3.127 1.00 0.60 H new ATOM 0 HB3 PHE A 156 -7.666 1.935 4.799 1.00 0.60 H new ATOM 0 HD1 PHE A 156 -9.744 1.421 1.752 1.00 0.56 H new ATOM 0 HD2 PHE A 156 -9.651 1.723 5.996 1.00 0.77 H new ATOM 0 HE1 PHE A 156 -12.081 0.682 1.860 1.00 0.65 H new ATOM 0 HE2 PHE A 156 -11.989 0.985 6.107 1.00 0.82 H new ATOM 0 HZ PHE A 156 -13.207 0.458 4.036 1.00 0.72 H new ATOM 687 N ALA A 157 -10.010 4.675 3.444 1.00 0.57 N ATOM 688 CA ALA A 157 -10.993 5.681 3.863 1.00 0.65 C ATOM 689 C ALA A 157 -11.446 5.524 5.320 1.00 0.77 C ATOM 690 O ALA A 157 -12.066 6.429 5.880 1.00 0.95 O ATOM 691 CB ALA A 157 -12.194 5.639 2.939 1.00 0.71 C ATOM 0 H ALA A 157 -10.296 4.145 2.621 1.00 0.57 H new ATOM 0 HA ALA A 157 -10.497 6.649 3.798 1.00 0.65 H new ATOM 0 HB1 ALA A 157 -12.921 6.387 3.254 1.00 0.71 H new ATOM 0 HB2 ALA A 157 -11.875 5.849 1.918 1.00 0.71 H new ATOM 0 HB3 ALA A 157 -12.650 4.650 2.980 1.00 0.71 H new ATOM 697 N GLY A 158 -11.152 4.379 5.921 1.00 0.76 N ATOM 698 CA GLY A 158 -11.521 4.149 7.306 1.00 0.94 C ATOM 699 C GLY A 158 -10.333 4.257 8.244 1.00 0.91 C ATOM 700 O GLY A 158 -9.692 5.304 8.325 1.00 1.81 O ATOM 0 H GLY A 158 -10.664 3.603 5.474 1.00 0.76 H new ATOM 0 HA2 GLY A 158 -12.282 4.872 7.602 1.00 0.94 H new ATOM 0 HA3 GLY A 158 -11.967 3.159 7.401 1.00 0.94 H new ATOM 704 N GLY A 159 -10.033 3.172 8.947 1.00 0.72 N ATOM 705 CA GLY A 159 -8.928 3.180 9.894 1.00 0.81 C ATOM 706 C GLY A 159 -7.824 2.215 9.508 1.00 0.60 C ATOM 707 O GLY A 159 -7.030 1.793 10.346 1.00 0.78 O ATOM 0 H GLY A 159 -10.533 2.286 8.880 1.00 0.72 H new ATOM 0 HA2 GLY A 159 -8.518 4.188 9.960 1.00 0.81 H new ATOM 0 HA3 GLY A 159 -9.301 2.922 10.885 1.00 0.81 H new ATOM 711 N GLN A 160 -7.789 1.860 8.235 1.00 0.50 N ATOM 712 CA GLN A 160 -6.814 0.948 7.698 1.00 0.47 C ATOM 713 C GLN A 160 -5.790 1.722 6.864 1.00 0.40 C ATOM 714 O GLN A 160 -6.105 2.222 5.795 1.00 0.56 O ATOM 715 CB GLN A 160 -7.580 -0.067 6.885 1.00 0.71 C ATOM 716 CG GLN A 160 -6.744 -0.801 5.886 1.00 0.64 C ATOM 717 CD GLN A 160 -7.552 -1.724 5.000 1.00 1.08 C ATOM 718 OE1 GLN A 160 -8.718 -1.469 4.713 1.00 1.43 O ATOM 719 NE2 GLN A 160 -6.932 -2.806 4.556 1.00 2.02 N ATOM 0 H GLN A 160 -8.451 2.207 7.541 1.00 0.50 H new ATOM 0 HA GLN A 160 -6.248 0.436 8.477 1.00 0.47 H new ATOM 0 HB2 GLN A 160 -8.037 -0.789 7.562 1.00 0.71 H new ATOM 0 HB3 GLN A 160 -8.392 0.439 6.363 1.00 0.71 H new ATOM 0 HG2 GLN A 160 -6.216 -0.079 5.263 1.00 0.64 H new ATOM 0 HG3 GLN A 160 -5.987 -1.383 6.412 1.00 0.64 H new ATOM 0 HE21 GLN A 160 -5.962 -2.982 4.818 1.00 2.02 H new ATOM 0 HE22 GLN A 160 -7.424 -3.464 3.952 1.00 2.02 H new ATOM 728 N GLN A 161 -4.577 1.855 7.372 1.00 0.38 N ATOM 729 CA GLN A 161 -3.580 2.689 6.734 1.00 0.34 C ATOM 730 C GLN A 161 -2.173 2.161 7.024 1.00 0.39 C ATOM 731 O GLN A 161 -1.835 1.826 8.157 1.00 0.46 O ATOM 732 CB GLN A 161 -3.791 4.146 7.159 1.00 0.35 C ATOM 733 CG GLN A 161 -2.595 5.058 6.931 1.00 1.08 C ATOM 734 CD GLN A 161 -2.870 6.496 7.326 1.00 1.12 C ATOM 735 OE1 GLN A 161 -3.701 6.689 8.339 1.00 1.77 O flip ATOM 736 NE2 GLN A 161 -2.331 7.429 6.731 1.00 1.46 N flip ATOM 0 H GLN A 161 -4.261 1.395 8.226 1.00 0.38 H new ATOM 0 HA GLN A 161 -3.691 2.653 5.650 1.00 0.34 H new ATOM 0 HB2 GLN A 161 -4.645 4.548 6.615 1.00 0.35 H new ATOM 0 HB3 GLN A 161 -4.049 4.167 8.218 1.00 0.35 H new ATOM 0 HG2 GLN A 161 -1.745 4.685 7.503 1.00 1.08 H new ATOM 0 HG3 GLN A 161 -2.312 5.023 5.879 1.00 1.08 H new ATOM 0 HE21 GLN A 161 -1.696 7.240 5.955 1.00 1.46 H new ATOM 0 HE22 GLN A 161 -2.519 8.391 7.014 1.00 1.46 H new ATOM 745 N TRP A 162 -1.376 2.093 5.968 1.00 0.39 N ATOM 746 CA TRP A 162 -0.145 1.319 5.926 1.00 0.47 C ATOM 747 C TRP A 162 0.870 2.076 5.117 1.00 0.50 C ATOM 748 O TRP A 162 0.602 3.164 4.657 1.00 0.47 O ATOM 749 CB TRP A 162 -0.339 -0.069 5.308 1.00 0.50 C ATOM 750 CG TRP A 162 -1.633 -0.705 5.703 1.00 0.47 C ATOM 751 CD1 TRP A 162 -2.877 -0.328 5.289 1.00 0.43 C ATOM 752 CD2 TRP A 162 -1.817 -1.813 6.589 1.00 0.53 C ATOM 753 NE1 TRP A 162 -3.825 -1.103 5.902 1.00 0.47 N ATOM 754 CE2 TRP A 162 -3.202 -2.035 6.690 1.00 0.52 C ATOM 755 CE3 TRP A 162 -0.950 -2.637 7.315 1.00 0.62 C ATOM 756 CZ2 TRP A 162 -3.739 -3.042 7.487 1.00 0.60 C ATOM 757 CZ3 TRP A 162 -1.483 -3.638 8.101 1.00 0.68 C ATOM 758 CH2 TRP A 162 -2.867 -3.834 8.183 1.00 0.67 C ATOM 0 H TRP A 162 -1.572 2.586 5.097 1.00 0.39 H new ATOM 0 HA TRP A 162 0.190 1.173 6.953 1.00 0.47 H new ATOM 0 HB2 TRP A 162 -0.297 0.013 4.222 1.00 0.50 H new ATOM 0 HB3 TRP A 162 0.485 -0.715 5.611 1.00 0.50 H new ATOM 0 HD1 TRP A 162 -3.083 0.463 4.583 1.00 0.43 H new ATOM 0 HE1 TRP A 162 -4.834 -1.003 5.790 1.00 0.47 H new ATOM 0 HE3 TRP A 162 0.119 -2.492 7.261 1.00 0.62 H new ATOM 0 HZ2 TRP A 162 -4.806 -3.193 7.554 1.00 0.60 H new ATOM 0 HZ3 TRP A 162 -0.822 -4.281 8.662 1.00 0.68 H new ATOM 0 HH2 TRP A 162 -3.254 -4.626 8.808 1.00 0.67 H new ATOM 769 N GLY A 163 2.055 1.555 5.048 1.00 0.58 N ATOM 770 CA GLY A 163 3.078 2.173 4.269 1.00 0.63 C ATOM 771 C GLY A 163 4.383 1.441 4.433 1.00 0.62 C ATOM 772 O GLY A 163 4.400 0.302 4.880 1.00 0.63 O ATOM 0 H GLY A 163 2.337 0.699 5.525 1.00 0.58 H new ATOM 0 HA2 GLY A 163 2.788 2.180 3.218 1.00 0.63 H new ATOM 0 HA3 GLY A 163 3.197 3.213 4.574 1.00 0.63 H new ATOM 776 N GLY A 164 5.471 2.092 4.106 1.00 0.66 N ATOM 777 CA GLY A 164 6.768 1.499 4.307 1.00 0.66 C ATOM 778 C GLY A 164 7.792 2.552 4.574 1.00 0.63 C ATOM 779 O GLY A 164 7.570 3.720 4.271 1.00 0.69 O ATOM 0 H GLY A 164 5.485 3.028 3.701 1.00 0.66 H new ATOM 0 HA2 GLY A 164 6.729 0.802 5.144 1.00 0.66 H new ATOM 0 HA3 GLY A 164 7.051 0.924 3.426 1.00 0.66 H new ATOM 783 N VAL A 165 8.906 2.153 5.149 1.00 0.61 N ATOM 784 CA VAL A 165 9.878 3.102 5.598 1.00 0.59 C ATOM 785 C VAL A 165 11.287 2.639 5.234 1.00 0.60 C ATOM 786 O VAL A 165 11.695 1.510 5.516 1.00 0.78 O ATOM 787 CB VAL A 165 9.728 3.354 7.115 1.00 0.73 C ATOM 788 CG1 VAL A 165 10.144 2.140 7.932 1.00 0.96 C ATOM 789 CG2 VAL A 165 10.501 4.595 7.538 1.00 0.88 C ATOM 0 H VAL A 165 9.153 1.177 5.312 1.00 0.61 H new ATOM 0 HA VAL A 165 9.705 4.051 5.090 1.00 0.59 H new ATOM 0 HB VAL A 165 8.671 3.529 7.316 1.00 0.73 H new ATOM 0 HG11 VAL A 165 10.024 2.357 8.993 1.00 0.96 H new ATOM 0 HG12 VAL A 165 9.519 1.289 7.663 1.00 0.96 H new ATOM 0 HG13 VAL A 165 11.188 1.903 7.726 1.00 0.96 H new ATOM 0 HG21 VAL A 165 10.380 4.751 8.610 1.00 0.88 H new ATOM 0 HG22 VAL A 165 11.558 4.461 7.308 1.00 0.88 H new ATOM 0 HG23 VAL A 165 10.119 5.462 6.999 1.00 0.88 H new ATOM 799 N PHE A 166 11.985 3.511 4.564 1.00 0.55 N ATOM 800 CA PHE A 166 13.318 3.298 4.099 1.00 0.61 C ATOM 801 C PHE A 166 14.171 4.453 4.588 1.00 0.61 C ATOM 802 O PHE A 166 13.660 5.470 5.049 1.00 0.84 O ATOM 803 CB PHE A 166 13.308 3.225 2.573 1.00 1.00 C ATOM 804 CG PHE A 166 12.764 1.927 2.044 1.00 1.66 C ATOM 805 CD1 PHE A 166 13.603 0.844 1.837 1.00 1.99 C ATOM 806 CD2 PHE A 166 11.415 1.791 1.758 1.00 2.17 C ATOM 807 CE1 PHE A 166 13.106 -0.353 1.354 1.00 2.71 C ATOM 808 CE2 PHE A 166 10.912 0.597 1.274 1.00 2.96 C ATOM 809 CZ PHE A 166 11.758 -0.476 1.072 1.00 3.19 C ATOM 0 H PHE A 166 11.620 4.431 4.318 1.00 0.55 H new ATOM 0 HA PHE A 166 13.728 2.362 4.479 1.00 0.61 H new ATOM 0 HB2 PHE A 166 12.711 4.048 2.181 1.00 1.00 H new ATOM 0 HB3 PHE A 166 14.324 3.363 2.203 1.00 1.00 H new ATOM 0 HD1 PHE A 166 14.657 0.935 2.055 1.00 1.99 H new ATOM 0 HD2 PHE A 166 10.749 2.627 1.915 1.00 2.17 H new ATOM 0 HE1 PHE A 166 13.770 -1.190 1.197 1.00 2.71 H new ATOM 0 HE2 PHE A 166 9.859 0.504 1.054 1.00 2.96 H new ATOM 0 HZ PHE A 166 11.367 -1.409 0.694 1.00 3.19 H new ATOM 819 N TYR A 167 15.456 4.287 4.537 1.00 0.74 N ATOM 820 CA TYR A 167 16.356 5.333 4.973 1.00 1.06 C ATOM 821 C TYR A 167 16.789 6.180 3.821 1.00 0.98 C ATOM 822 O TYR A 167 17.302 7.283 4.009 1.00 1.22 O ATOM 823 CB TYR A 167 17.578 4.751 5.663 1.00 1.45 C ATOM 824 CG TYR A 167 17.357 4.422 7.116 1.00 2.10 C ATOM 825 CD1 TYR A 167 16.582 3.332 7.472 1.00 2.48 C ATOM 826 CD2 TYR A 167 17.917 5.193 8.125 1.00 2.87 C ATOM 827 CE1 TYR A 167 16.367 3.014 8.799 1.00 3.52 C ATOM 828 CE2 TYR A 167 17.709 4.883 9.454 1.00 3.88 C ATOM 829 CZ TYR A 167 16.965 3.841 9.802 1.00 4.19 C ATOM 830 OH TYR A 167 16.720 3.482 11.108 1.00 5.30 O ATOM 0 H TYR A 167 15.915 3.441 4.199 1.00 0.74 H new ATOM 0 HA TYR A 167 15.812 5.954 5.685 1.00 1.06 H new ATOM 0 HB2 TYR A 167 17.884 3.846 5.138 1.00 1.45 H new ATOM 0 HB3 TYR A 167 18.402 5.460 5.582 1.00 1.45 H new ATOM 0 HD1 TYR A 167 16.138 2.720 6.700 1.00 2.48 H new ATOM 0 HD2 TYR A 167 18.524 6.048 7.867 1.00 2.87 H new ATOM 0 HE1 TYR A 167 15.762 2.162 9.073 1.00 3.52 H new ATOM 0 HE2 TYR A 167 18.158 5.497 10.221 1.00 3.88 H new ATOM 0 HH TYR A 167 17.173 4.109 11.710 1.00 5.30 H new ATOM 840 N ALA A 168 16.587 5.673 2.631 1.00 0.72 N ATOM 841 CA ALA A 168 17.147 6.295 1.489 1.00 0.72 C ATOM 842 C ALA A 168 16.508 5.776 0.230 1.00 0.54 C ATOM 843 O ALA A 168 15.684 4.859 0.260 1.00 0.67 O ATOM 844 CB ALA A 168 18.649 6.062 1.478 1.00 1.03 C ATOM 0 H ALA A 168 16.039 4.834 2.442 1.00 0.72 H new ATOM 0 HA ALA A 168 16.955 7.367 1.532 1.00 0.72 H new ATOM 0 HB1 ALA A 168 19.085 6.539 0.600 1.00 1.03 H new ATOM 0 HB2 ALA A 168 19.090 6.488 2.379 1.00 1.03 H new ATOM 0 HB3 ALA A 168 18.851 4.991 1.447 1.00 1.03 H new ATOM 850 N GLU A 169 16.928 6.393 -0.847 1.00 0.55 N ATOM 851 CA GLU A 169 16.750 5.919 -2.240 1.00 0.73 C ATOM 852 C GLU A 169 15.323 5.968 -2.726 1.00 0.54 C ATOM 853 O GLU A 169 15.014 6.647 -3.701 1.00 0.78 O ATOM 854 CB GLU A 169 17.241 4.475 -2.460 1.00 1.19 C ATOM 855 CG GLU A 169 18.081 3.893 -1.338 1.00 1.40 C ATOM 856 CD GLU A 169 19.185 2.989 -1.836 1.00 1.80 C ATOM 857 OE1 GLU A 169 20.263 2.962 -1.206 1.00 2.18 O ATOM 858 OE2 GLU A 169 18.986 2.308 -2.863 1.00 2.02 O ATOM 0 H GLU A 169 17.428 7.281 -0.798 1.00 0.55 H new ATOM 0 HA GLU A 169 17.359 6.621 -2.810 1.00 0.73 H new ATOM 0 HB2 GLU A 169 16.373 3.833 -2.611 1.00 1.19 H new ATOM 0 HB3 GLU A 169 17.824 4.444 -3.381 1.00 1.19 H new ATOM 0 HG2 GLU A 169 18.518 4.707 -0.759 1.00 1.40 H new ATOM 0 HG3 GLU A 169 17.436 3.332 -0.662 1.00 1.40 H new ATOM 865 N ILE A 170 14.492 5.230 -2.028 1.00 0.56 N ATOM 866 CA ILE A 170 13.194 4.792 -2.499 1.00 0.54 C ATOM 867 C ILE A 170 12.391 5.881 -3.229 1.00 0.55 C ATOM 868 O ILE A 170 11.701 6.707 -2.658 1.00 0.65 O ATOM 869 CB ILE A 170 12.422 4.097 -1.332 1.00 0.67 C ATOM 870 CG1 ILE A 170 12.234 2.620 -1.660 1.00 0.97 C ATOM 871 CG2 ILE A 170 11.078 4.730 -0.985 1.00 0.83 C ATOM 872 CD1 ILE A 170 13.533 1.867 -1.853 1.00 1.07 C ATOM 0 H ILE A 170 14.706 4.906 -1.085 1.00 0.56 H new ATOM 0 HA ILE A 170 13.352 4.050 -3.282 1.00 0.54 H new ATOM 0 HB ILE A 170 13.039 4.229 -0.443 1.00 0.67 H new ATOM 0 HG12 ILE A 170 11.667 2.148 -0.857 1.00 0.97 H new ATOM 0 HG13 ILE A 170 11.636 2.532 -2.567 1.00 0.97 H new ATOM 0 HG21 ILE A 170 10.618 4.179 -0.165 1.00 0.83 H new ATOM 0 HG22 ILE A 170 11.231 5.767 -0.686 1.00 0.83 H new ATOM 0 HG23 ILE A 170 10.424 4.697 -1.857 1.00 0.83 H new ATOM 0 HD11 ILE A 170 13.318 0.824 -2.083 1.00 1.07 H new ATOM 0 HD12 ILE A 170 14.093 2.312 -2.676 1.00 1.07 H new ATOM 0 HD13 ILE A 170 14.125 1.922 -0.939 1.00 1.07 H new ATOM 884 N LYS A 171 12.557 5.901 -4.535 1.00 0.67 N ATOM 885 CA LYS A 171 11.632 6.602 -5.400 1.00 0.79 C ATOM 886 C LYS A 171 10.783 5.558 -6.055 1.00 0.84 C ATOM 887 O LYS A 171 9.851 5.836 -6.800 1.00 0.92 O ATOM 888 CB LYS A 171 12.384 7.381 -6.463 1.00 1.11 C ATOM 889 CG LYS A 171 13.799 6.887 -6.639 1.00 1.14 C ATOM 890 CD LYS A 171 14.593 7.722 -7.635 1.00 1.48 C ATOM 891 CE LYS A 171 14.120 7.531 -9.072 1.00 1.91 C ATOM 892 NZ LYS A 171 12.824 8.208 -9.353 1.00 2.68 N ATOM 0 H LYS A 171 13.325 5.439 -5.021 1.00 0.67 H new ATOM 0 HA LYS A 171 11.032 7.309 -4.828 1.00 0.79 H new ATOM 0 HB2 LYS A 171 11.853 7.303 -7.412 1.00 1.11 H new ATOM 0 HB3 LYS A 171 12.401 8.437 -6.193 1.00 1.11 H new ATOM 0 HG2 LYS A 171 14.307 6.900 -5.674 1.00 1.14 H new ATOM 0 HG3 LYS A 171 13.778 5.850 -6.975 1.00 1.14 H new ATOM 0 HD2 LYS A 171 14.511 8.775 -7.367 1.00 1.48 H new ATOM 0 HD3 LYS A 171 15.648 7.457 -7.566 1.00 1.48 H new ATOM 0 HE2 LYS A 171 14.879 7.916 -9.753 1.00 1.91 H new ATOM 0 HE3 LYS A 171 14.019 6.465 -9.277 1.00 1.91 H new ATOM 0 HZ1 LYS A 171 12.080 7.493 -9.485 1.00 2.68 H new ATOM 0 HZ2 LYS A 171 12.574 8.825 -8.554 1.00 2.68 H new ATOM 0 HZ3 LYS A 171 12.911 8.780 -10.217 1.00 2.68 H new ATOM 906 N SER A 172 11.163 4.342 -5.756 1.00 0.92 N ATOM 907 CA SER A 172 10.438 3.172 -6.129 1.00 1.13 C ATOM 908 C SER A 172 9.184 2.979 -5.279 1.00 1.05 C ATOM 909 O SER A 172 8.105 2.729 -5.803 1.00 1.12 O ATOM 910 CB SER A 172 11.422 2.031 -6.020 1.00 1.45 C ATOM 911 OG SER A 172 10.789 0.797 -5.759 1.00 1.86 O ATOM 0 H SER A 172 12.013 4.141 -5.230 1.00 0.92 H new ATOM 0 HA SER A 172 10.051 3.242 -7.146 1.00 1.13 H new ATOM 0 HB2 SER A 172 11.991 1.956 -6.947 1.00 1.45 H new ATOM 0 HB3 SER A 172 12.136 2.245 -5.225 1.00 1.45 H new ATOM 0 HG SER A 172 10.943 0.185 -6.509 1.00 1.86 H new ATOM 917 N SER A 173 9.336 3.113 -3.966 1.00 1.00 N ATOM 918 CA SER A 173 8.202 3.146 -3.052 1.00 1.09 C ATOM 919 C SER A 173 7.590 4.532 -3.045 1.00 0.94 C ATOM 920 O SER A 173 6.469 4.750 -2.597 1.00 1.14 O ATOM 921 CB SER A 173 8.624 2.714 -1.656 1.00 1.24 C ATOM 922 OG SER A 173 8.989 1.343 -1.645 1.00 1.47 O ATOM 0 H SER A 173 10.243 3.201 -3.508 1.00 1.00 H new ATOM 0 HA SER A 173 7.445 2.440 -3.394 1.00 1.09 H new ATOM 0 HB2 SER A 173 9.464 3.322 -1.320 1.00 1.24 H new ATOM 0 HB3 SER A 173 7.807 2.884 -0.955 1.00 1.24 H new ATOM 0 HG SER A 173 9.544 1.158 -0.858 1.00 1.47 H new ATOM 928 N CYS A 174 8.355 5.451 -3.594 1.00 0.76 N ATOM 929 CA CYS A 174 7.946 6.827 -3.764 1.00 0.85 C ATOM 930 C CYS A 174 7.059 6.855 -4.985 1.00 0.73 C ATOM 931 O CYS A 174 6.315 7.784 -5.261 1.00 0.88 O ATOM 932 CB CYS A 174 9.216 7.659 -3.960 1.00 1.09 C ATOM 933 SG CYS A 174 9.111 9.439 -3.712 1.00 1.63 S ATOM 0 H CYS A 174 9.295 5.259 -3.940 1.00 0.76 H new ATOM 0 HA CYS A 174 7.400 7.232 -2.912 1.00 0.85 H new ATOM 0 HB2 CYS A 174 9.976 7.272 -3.281 1.00 1.09 H new ATOM 0 HB3 CYS A 174 9.576 7.484 -4.974 1.00 1.09 H new ATOM 0 HG CYS A 174 7.977 9.876 -4.175 1.00 1.63 H new ATOM 939 N ALA A 175 7.153 5.778 -5.703 1.00 0.63 N ATOM 940 CA ALA A 175 6.298 5.536 -6.822 1.00 0.66 C ATOM 941 C ALA A 175 5.132 4.676 -6.394 1.00 0.59 C ATOM 942 O ALA A 175 5.310 3.579 -5.874 1.00 0.65 O ATOM 943 CB ALA A 175 7.087 4.934 -7.962 1.00 0.80 C ATOM 0 H ALA A 175 7.831 5.037 -5.527 1.00 0.63 H new ATOM 0 HA ALA A 175 5.887 6.476 -7.190 1.00 0.66 H new ATOM 0 HB1 ALA A 175 6.424 4.754 -8.808 1.00 0.80 H new ATOM 0 HB2 ALA A 175 7.878 5.622 -8.260 1.00 0.80 H new ATOM 0 HB3 ALA A 175 7.529 3.991 -7.641 1.00 0.80 H new ATOM 949 N LYS A 176 3.940 5.196 -6.571 1.00 0.60 N ATOM 950 CA LYS A 176 2.753 4.508 -6.133 1.00 0.59 C ATOM 951 C LYS A 176 1.661 4.663 -7.160 1.00 0.53 C ATOM 952 O LYS A 176 1.491 5.742 -7.727 1.00 0.66 O ATOM 953 CB LYS A 176 2.240 5.076 -4.819 1.00 0.83 C ATOM 954 CG LYS A 176 3.290 5.561 -3.855 1.00 0.84 C ATOM 955 CD LYS A 176 2.629 6.132 -2.614 1.00 1.59 C ATOM 956 CE LYS A 176 1.951 7.484 -2.858 1.00 2.27 C ATOM 957 NZ LYS A 176 0.817 7.417 -3.822 1.00 2.95 N ATOM 0 H LYS A 176 3.769 6.097 -7.017 1.00 0.60 H new ATOM 0 HA LYS A 176 3.015 3.458 -5.999 1.00 0.59 H new ATOM 0 HB2 LYS A 176 1.569 5.905 -5.042 1.00 0.83 H new ATOM 0 HB3 LYS A 176 1.645 4.309 -4.322 1.00 0.83 H new ATOM 0 HG2 LYS A 176 3.951 4.739 -3.580 1.00 0.84 H new ATOM 0 HG3 LYS A 176 3.909 6.322 -4.331 1.00 0.84 H new ATOM 0 HD2 LYS A 176 1.888 5.422 -2.246 1.00 1.59 H new ATOM 0 HD3 LYS A 176 3.378 6.245 -1.831 1.00 1.59 H new ATOM 0 HE2 LYS A 176 1.587 7.875 -1.908 1.00 2.27 H new ATOM 0 HE3 LYS A 176 2.692 8.191 -3.231 1.00 2.27 H new ATOM 0 HZ1 LYS A 176 0.124 8.158 -3.595 1.00 2.95 H new ATOM 0 HZ2 LYS A 176 1.174 7.561 -4.788 1.00 2.95 H new ATOM 0 HZ3 LYS A 176 0.361 6.485 -3.757 1.00 2.95 H new ATOM 971 N VAL A 177 0.928 3.611 -7.408 1.00 0.43 N ATOM 972 CA VAL A 177 -0.298 3.737 -8.160 1.00 0.41 C ATOM 973 C VAL A 177 -1.447 3.150 -7.376 1.00 0.37 C ATOM 974 O VAL A 177 -1.294 2.128 -6.719 1.00 0.41 O ATOM 975 CB VAL A 177 -0.199 3.092 -9.548 1.00 0.49 C ATOM 976 CG1 VAL A 177 -1.513 3.237 -10.302 1.00 0.68 C ATOM 977 CG2 VAL A 177 0.944 3.693 -10.351 1.00 0.77 C ATOM 0 H VAL A 177 1.153 2.663 -7.105 1.00 0.43 H new ATOM 0 HA VAL A 177 -0.479 4.800 -8.320 1.00 0.41 H new ATOM 0 HB VAL A 177 0.006 2.030 -9.410 1.00 0.49 H new ATOM 0 HG11 VAL A 177 -1.422 2.773 -11.284 1.00 0.68 H new ATOM 0 HG12 VAL A 177 -2.310 2.748 -9.742 1.00 0.68 H new ATOM 0 HG13 VAL A 177 -1.750 4.294 -10.421 1.00 0.68 H new ATOM 0 HG21 VAL A 177 0.990 3.217 -11.330 1.00 0.77 H new ATOM 0 HG22 VAL A 177 0.778 4.763 -10.475 1.00 0.77 H new ATOM 0 HG23 VAL A 177 1.884 3.530 -9.824 1.00 0.77 H new ATOM 987 N GLN A 178 -2.586 3.809 -7.423 1.00 0.38 N ATOM 988 CA GLN A 178 -3.740 3.350 -6.699 1.00 0.37 C ATOM 989 C GLN A 178 -4.943 3.222 -7.613 1.00 0.33 C ATOM 990 O GLN A 178 -5.086 3.947 -8.597 1.00 0.40 O ATOM 991 CB GLN A 178 -4.043 4.265 -5.493 1.00 0.48 C ATOM 992 CG GLN A 178 -5.497 4.229 -5.038 1.00 0.64 C ATOM 993 CD GLN A 178 -6.304 5.414 -5.557 1.00 1.70 C ATOM 994 OE1 GLN A 178 -7.275 5.839 -4.938 1.00 2.52 O ATOM 995 NE2 GLN A 178 -5.890 5.970 -6.687 1.00 2.30 N ATOM 0 H GLN A 178 -2.732 4.665 -7.958 1.00 0.38 H new ATOM 0 HA GLN A 178 -3.516 2.357 -6.309 1.00 0.37 H new ATOM 0 HB2 GLN A 178 -3.405 3.973 -4.659 1.00 0.48 H new ATOM 0 HB3 GLN A 178 -3.779 5.290 -5.753 1.00 0.48 H new ATOM 0 HG2 GLN A 178 -5.958 3.303 -5.380 1.00 0.64 H new ATOM 0 HG3 GLN A 178 -5.533 4.219 -3.949 1.00 0.64 H new ATOM 0 HE21 GLN A 178 -5.079 5.590 -7.175 1.00 2.30 H new ATOM 0 HE22 GLN A 178 -6.383 6.778 -7.068 1.00 2.30 H new ATOM 1004 N THR A 179 -5.784 2.269 -7.280 1.00 0.32 N ATOM 1005 CA THR A 179 -7.017 2.042 -7.999 1.00 0.32 C ATOM 1006 C THR A 179 -8.182 2.092 -7.030 1.00 0.31 C ATOM 1007 O THR A 179 -8.158 1.415 -6.015 1.00 0.30 O ATOM 1008 CB THR A 179 -7.006 0.659 -8.669 1.00 0.33 C ATOM 1009 OG1 THR A 179 -5.794 0.488 -9.414 1.00 0.36 O ATOM 1010 CG2 THR A 179 -8.204 0.481 -9.592 1.00 0.42 C ATOM 0 H THR A 179 -5.632 1.628 -6.501 1.00 0.32 H new ATOM 0 HA THR A 179 -7.117 2.815 -8.761 1.00 0.32 H new ATOM 0 HB THR A 179 -7.065 -0.095 -7.885 1.00 0.33 H new ATOM 0 HG1 THR A 179 -5.464 -0.427 -9.296 1.00 0.36 H new ATOM 0 HG21 THR A 179 -8.167 -0.507 -10.050 1.00 0.42 H new ATOM 0 HG22 THR A 179 -9.124 0.580 -9.017 1.00 0.42 H new ATOM 0 HG23 THR A 179 -8.180 1.243 -10.371 1.00 0.42 H new ATOM 1018 N ARG A 180 -9.181 2.895 -7.328 1.00 0.38 N ATOM 1019 CA ARG A 180 -10.409 2.873 -6.556 1.00 0.44 C ATOM 1020 C ARG A 180 -11.584 2.998 -7.508 1.00 0.55 C ATOM 1021 O ARG A 180 -11.516 3.728 -8.499 1.00 0.64 O ATOM 1022 CB ARG A 180 -10.434 3.967 -5.469 1.00 0.60 C ATOM 1023 CG ARG A 180 -10.824 5.360 -5.943 1.00 0.95 C ATOM 1024 CD ARG A 180 -9.816 5.944 -6.917 1.00 1.44 C ATOM 1025 NE ARG A 180 -10.218 7.269 -7.389 1.00 1.98 N ATOM 1026 CZ ARG A 180 -9.908 7.754 -8.589 1.00 2.68 C ATOM 1027 NH1 ARG A 180 -9.223 7.014 -9.453 1.00 3.12 N ATOM 1028 NH2 ARG A 180 -10.300 8.973 -8.936 1.00 3.41 N ATOM 0 H ARG A 180 -9.170 3.568 -8.094 1.00 0.38 H new ATOM 0 HA ARG A 180 -10.475 1.925 -6.022 1.00 0.44 H new ATOM 0 HB2 ARG A 180 -11.130 3.661 -4.688 1.00 0.60 H new ATOM 0 HB3 ARG A 180 -9.446 4.022 -5.012 1.00 0.60 H new ATOM 0 HG2 ARG A 180 -11.803 5.318 -6.420 1.00 0.95 H new ATOM 0 HG3 ARG A 180 -10.917 6.021 -5.081 1.00 0.95 H new ATOM 0 HD2 ARG A 180 -8.841 6.011 -6.434 1.00 1.44 H new ATOM 0 HD3 ARG A 180 -9.704 5.274 -7.769 1.00 1.44 H new ATOM 0 HE ARG A 180 -10.768 7.856 -6.762 1.00 1.98 H new ATOM 0 HH11 ARG A 180 -8.932 6.070 -9.198 1.00 3.12 H new ATOM 0 HH12 ARG A 180 -8.987 7.389 -10.372 1.00 3.12 H new ATOM 0 HH21 ARG A 180 -10.840 9.540 -8.283 1.00 3.41 H new ATOM 0 HH22 ARG A 180 -10.061 9.343 -9.856 1.00 3.41 H new ATOM 1042 N LYS A 181 -12.647 2.273 -7.217 1.00 0.61 N ATOM 1043 CA LYS A 181 -13.758 2.140 -8.148 1.00 0.75 C ATOM 1044 C LYS A 181 -14.883 1.355 -7.503 1.00 0.71 C ATOM 1045 O LYS A 181 -16.056 1.558 -7.812 1.00 0.89 O ATOM 1046 CB LYS A 181 -13.289 1.404 -9.408 1.00 0.91 C ATOM 1047 CG LYS A 181 -12.892 -0.040 -9.132 1.00 0.92 C ATOM 1048 CD LYS A 181 -11.952 -0.597 -10.192 1.00 1.36 C ATOM 1049 CE LYS A 181 -12.697 -1.242 -11.357 1.00 1.64 C ATOM 1050 NZ LYS A 181 -13.514 -0.266 -12.126 1.00 2.13 N ATOM 0 H LYS A 181 -12.768 1.764 -6.341 1.00 0.61 H new ATOM 0 HA LYS A 181 -14.117 3.134 -8.414 1.00 0.75 H new ATOM 0 HB2 LYS A 181 -14.086 1.422 -10.152 1.00 0.91 H new ATOM 0 HB3 LYS A 181 -12.439 1.934 -9.838 1.00 0.91 H new ATOM 0 HG2 LYS A 181 -12.411 -0.101 -8.156 1.00 0.92 H new ATOM 0 HG3 LYS A 181 -13.789 -0.658 -9.085 1.00 0.92 H new ATOM 0 HD2 LYS A 181 -11.320 0.207 -10.570 1.00 1.36 H new ATOM 0 HD3 LYS A 181 -11.291 -1.334 -9.735 1.00 1.36 H new ATOM 0 HE2 LYS A 181 -11.978 -1.714 -12.026 1.00 1.64 H new ATOM 0 HE3 LYS A 181 -13.345 -2.032 -10.976 1.00 1.64 H new ATOM 0 HZ1 LYS A 181 -13.691 -0.637 -13.081 1.00 2.13 H new ATOM 0 HZ2 LYS A 181 -14.421 -0.114 -11.641 1.00 2.13 H new ATOM 0 HZ3 LYS A 181 -13.003 0.637 -12.195 1.00 2.13 H new ATOM 1064 N GLY A 182 -14.511 0.457 -6.603 1.00 0.64 N ATOM 1065 CA GLY A 182 -15.473 -0.444 -6.035 1.00 0.73 C ATOM 1066 C GLY A 182 -14.952 -1.169 -4.820 1.00 0.65 C ATOM 1067 O GLY A 182 -14.589 -0.558 -3.817 1.00 0.78 O ATOM 0 H GLY A 182 -13.557 0.342 -6.260 1.00 0.64 H new ATOM 0 HA2 GLY A 182 -16.369 0.114 -5.763 1.00 0.73 H new ATOM 0 HA3 GLY A 182 -15.769 -1.174 -6.788 1.00 0.73 H new ATOM 1071 N SER A 183 -14.883 -2.477 -4.930 1.00 0.61 N ATOM 1072 CA SER A 183 -14.524 -3.320 -3.804 1.00 0.70 C ATOM 1073 C SER A 183 -13.013 -3.489 -3.687 1.00 0.66 C ATOM 1074 O SER A 183 -12.528 -4.186 -2.796 1.00 0.81 O ATOM 1075 CB SER A 183 -15.207 -4.683 -3.945 1.00 0.88 C ATOM 1076 OG SER A 183 -15.021 -5.478 -2.787 1.00 1.60 O ATOM 0 H SER A 183 -15.072 -2.986 -5.793 1.00 0.61 H new ATOM 0 HA SER A 183 -14.868 -2.835 -2.891 1.00 0.70 H new ATOM 0 HB2 SER A 183 -16.273 -4.541 -4.123 1.00 0.88 H new ATOM 0 HB3 SER A 183 -14.806 -5.204 -4.814 1.00 0.88 H new ATOM 0 HG SER A 183 -14.131 -5.309 -2.413 1.00 1.60 H new ATOM 1082 N LEU A 184 -12.270 -2.850 -4.576 1.00 0.53 N ATOM 1083 CA LEU A 184 -10.821 -2.942 -4.542 1.00 0.51 C ATOM 1084 C LEU A 184 -10.170 -1.565 -4.635 1.00 0.39 C ATOM 1085 O LEU A 184 -10.505 -0.750 -5.500 1.00 0.43 O ATOM 1086 CB LEU A 184 -10.270 -3.931 -5.614 1.00 0.68 C ATOM 1087 CG LEU A 184 -10.505 -3.637 -7.124 1.00 1.14 C ATOM 1088 CD1 LEU A 184 -11.956 -3.297 -7.437 1.00 1.80 C ATOM 1089 CD2 LEU A 184 -9.573 -2.548 -7.632 1.00 2.15 C ATOM 0 H LEU A 184 -12.643 -2.266 -5.324 1.00 0.53 H new ATOM 0 HA LEU A 184 -10.548 -3.358 -3.572 1.00 0.51 H new ATOM 0 HB2 LEU A 184 -9.194 -4.011 -5.461 1.00 0.68 H new ATOM 0 HB3 LEU A 184 -10.696 -4.912 -5.403 1.00 0.68 H new ATOM 0 HG LEU A 184 -10.272 -4.561 -7.654 1.00 1.14 H new ATOM 0 HD11 LEU A 184 -12.062 -3.101 -8.504 1.00 1.80 H new ATOM 0 HD12 LEU A 184 -12.595 -4.135 -7.157 1.00 1.80 H new ATOM 0 HD13 LEU A 184 -12.252 -2.411 -6.875 1.00 1.80 H new ATOM 0 HD21 LEU A 184 -9.765 -2.369 -8.690 1.00 2.15 H new ATOM 0 HD22 LEU A 184 -9.747 -1.630 -7.071 1.00 2.15 H new ATOM 0 HD23 LEU A 184 -8.538 -2.864 -7.500 1.00 2.15 H new ATOM 1101 N LEU A 185 -9.293 -1.294 -3.679 1.00 0.32 N ATOM 1102 CA LEU A 185 -8.447 -0.115 -3.697 1.00 0.30 C ATOM 1103 C LEU A 185 -7.000 -0.568 -3.732 1.00 0.29 C ATOM 1104 O LEU A 185 -6.536 -1.229 -2.828 1.00 0.48 O ATOM 1105 CB LEU A 185 -8.683 0.788 -2.480 1.00 0.38 C ATOM 1106 CG LEU A 185 -9.969 1.635 -2.498 1.00 0.55 C ATOM 1107 CD1 LEU A 185 -11.232 0.781 -2.500 1.00 0.99 C ATOM 1108 CD2 LEU A 185 -9.984 2.576 -1.306 1.00 1.07 C ATOM 0 H LEU A 185 -9.149 -1.891 -2.865 1.00 0.32 H new ATOM 0 HA LEU A 185 -8.692 0.474 -4.580 1.00 0.30 H new ATOM 0 HB2 LEU A 185 -8.698 0.162 -1.588 1.00 0.38 H new ATOM 0 HB3 LEU A 185 -7.831 1.461 -2.383 1.00 0.38 H new ATOM 0 HG LEU A 185 -9.965 2.207 -3.426 1.00 0.55 H new ATOM 0 HD11 LEU A 185 -12.109 1.428 -2.513 1.00 0.99 H new ATOM 0 HD12 LEU A 185 -11.239 0.143 -3.384 1.00 0.99 H new ATOM 0 HD13 LEU A 185 -11.253 0.160 -1.604 1.00 0.99 H new ATOM 0 HD21 LEU A 185 -10.896 3.172 -1.325 1.00 1.07 H new ATOM 0 HD22 LEU A 185 -9.948 1.996 -0.384 1.00 1.07 H new ATOM 0 HD23 LEU A 185 -9.118 3.236 -1.353 1.00 1.07 H new ATOM 1120 N HIS A 186 -6.308 -0.195 -4.773 1.00 0.27 N ATOM 1121 CA HIS A 186 -4.994 -0.744 -5.096 1.00 0.30 C ATOM 1122 C HIS A 186 -3.873 0.193 -4.712 1.00 0.40 C ATOM 1123 O HIS A 186 -4.018 1.394 -4.833 1.00 0.67 O ATOM 1124 CB HIS A 186 -4.876 -0.939 -6.594 1.00 0.44 C ATOM 1125 CG HIS A 186 -5.479 -2.193 -7.145 1.00 0.67 C ATOM 1126 ND1 HIS A 186 -5.706 -2.378 -8.489 1.00 1.18 N ATOM 1127 CD2 HIS A 186 -5.849 -3.345 -6.544 1.00 1.54 C ATOM 1128 CE1 HIS A 186 -6.187 -3.586 -8.692 1.00 1.51 C ATOM 1129 NE2 HIS A 186 -6.282 -4.204 -7.529 1.00 1.79 N ATOM 0 H HIS A 186 -6.634 0.507 -5.437 1.00 0.27 H new ATOM 0 HA HIS A 186 -4.908 -1.679 -4.543 1.00 0.30 H new ATOM 0 HB2 HIS A 186 -5.344 -0.088 -7.089 1.00 0.44 H new ATOM 0 HB3 HIS A 186 -3.819 -0.921 -6.860 1.00 0.44 H new ATOM 0 HD2 HIS A 186 -5.812 -3.554 -5.485 1.00 1.54 H new ATOM 0 HE1 HIS A 186 -6.459 -4.003 -9.651 1.00 1.51 H new ATOM 0 HE2 HIS A 186 -6.619 -5.156 -7.385 1.00 1.79 H new ATOM 1138 N LEU A 187 -2.785 -0.355 -4.222 1.00 0.32 N ATOM 1139 CA LEU A 187 -1.523 0.308 -4.269 1.00 0.37 C ATOM 1140 C LEU A 187 -0.613 -0.618 -5.022 1.00 0.36 C ATOM 1141 O LEU A 187 -0.413 -1.757 -4.587 1.00 0.35 O ATOM 1142 CB LEU A 187 -0.947 0.530 -2.880 1.00 0.43 C ATOM 1143 CG LEU A 187 0.093 1.656 -2.737 1.00 0.55 C ATOM 1144 CD1 LEU A 187 1.402 1.306 -3.434 1.00 1.38 C ATOM 1145 CD2 LEU A 187 -0.466 2.964 -3.281 1.00 1.26 C ATOM 0 H LEU A 187 -2.761 -1.274 -3.781 1.00 0.32 H new ATOM 0 HA LEU A 187 -1.628 1.288 -4.735 1.00 0.37 H new ATOM 0 HB2 LEU A 187 -1.772 0.739 -2.199 1.00 0.43 H new ATOM 0 HB3 LEU A 187 -0.488 -0.402 -2.548 1.00 0.43 H new ATOM 0 HG LEU A 187 0.308 1.776 -1.675 1.00 0.55 H new ATOM 0 HD11 LEU A 187 2.110 2.125 -3.311 1.00 1.38 H new ATOM 0 HD12 LEU A 187 1.817 0.399 -2.995 1.00 1.38 H new ATOM 0 HD13 LEU A 187 1.217 1.143 -4.496 1.00 1.38 H new ATOM 0 HD21 LEU A 187 0.280 3.751 -3.173 1.00 1.26 H new ATOM 0 HD22 LEU A 187 -0.716 2.842 -4.335 1.00 1.26 H new ATOM 0 HD23 LEU A 187 -1.363 3.236 -2.725 1.00 1.26 H new ATOM 1157 N THR A 188 -0.121 -0.160 -6.149 1.00 0.39 N ATOM 1158 CA THR A 188 0.880 -0.881 -6.884 1.00 0.44 C ATOM 1159 C THR A 188 2.229 -0.273 -6.604 1.00 0.50 C ATOM 1160 O THR A 188 2.490 0.880 -6.967 1.00 0.55 O ATOM 1161 CB THR A 188 0.609 -0.861 -8.396 1.00 0.51 C ATOM 1162 OG1 THR A 188 0.217 0.445 -8.801 1.00 0.70 O ATOM 1163 CG2 THR A 188 -0.475 -1.857 -8.773 1.00 0.47 C ATOM 0 H THR A 188 -0.405 0.721 -6.578 1.00 0.39 H new ATOM 0 HA THR A 188 0.855 -1.921 -6.560 1.00 0.44 H new ATOM 0 HB THR A 188 1.529 -1.144 -8.907 1.00 0.51 H new ATOM 0 HG1 THR A 188 -0.758 0.528 -8.740 1.00 0.70 H new ATOM 0 HG21 THR A 188 -0.645 -1.820 -9.849 1.00 0.47 H new ATOM 0 HG22 THR A 188 -0.161 -2.861 -8.490 1.00 0.47 H new ATOM 0 HG23 THR A 188 -1.398 -1.605 -8.251 1.00 0.47 H new ATOM 1171 N LEU A 189 3.054 -1.032 -5.921 1.00 0.52 N ATOM 1172 CA LEU A 189 4.371 -0.590 -5.554 1.00 0.58 C ATOM 1173 C LEU A 189 5.398 -1.171 -6.503 1.00 0.61 C ATOM 1174 O LEU A 189 5.627 -2.379 -6.489 1.00 0.67 O ATOM 1175 CB LEU A 189 4.682 -1.030 -4.143 1.00 0.67 C ATOM 1176 CG LEU A 189 6.017 -0.502 -3.644 1.00 0.75 C ATOM 1177 CD1 LEU A 189 6.002 1.003 -3.739 1.00 1.08 C ATOM 1178 CD2 LEU A 189 6.277 -0.934 -2.225 1.00 1.21 C ATOM 0 H LEU A 189 2.826 -1.975 -5.605 1.00 0.52 H new ATOM 0 HA LEU A 189 4.407 0.498 -5.612 1.00 0.58 H new ATOM 0 HB2 LEU A 189 3.889 -0.688 -3.477 1.00 0.67 H new ATOM 0 HB3 LEU A 189 4.688 -2.119 -4.099 1.00 0.67 H new ATOM 0 HG LEU A 189 6.818 -0.909 -4.261 1.00 0.75 H new ATOM 0 HD11 LEU A 189 6.953 1.399 -3.385 1.00 1.08 H new ATOM 0 HD12 LEU A 189 5.849 1.301 -4.776 1.00 1.08 H new ATOM 0 HD13 LEU A 189 5.193 1.398 -3.125 1.00 1.08 H new ATOM 0 HD21 LEU A 189 7.239 -0.541 -1.896 1.00 1.21 H new ATOM 0 HD22 LEU A 189 5.488 -0.551 -1.578 1.00 1.21 H new ATOM 0 HD23 LEU A 189 6.293 -2.023 -2.173 1.00 1.21 H new ATOM 1190 N PRO A 190 6.011 -0.321 -7.341 1.00 0.66 N ATOM 1191 CA PRO A 190 7.095 -0.720 -8.240 1.00 0.73 C ATOM 1192 C PRO A 190 8.227 -1.392 -7.479 1.00 0.89 C ATOM 1193 O PRO A 190 8.394 -1.176 -6.276 1.00 0.98 O ATOM 1194 CB PRO A 190 7.566 0.605 -8.843 1.00 0.86 C ATOM 1195 CG PRO A 190 6.379 1.493 -8.759 1.00 0.86 C ATOM 1196 CD PRO A 190 5.677 1.103 -7.490 1.00 0.78 C ATOM 0 HA PRO A 190 6.771 -1.443 -8.988 1.00 0.73 H new ATOM 0 HB2 PRO A 190 8.410 1.016 -8.288 1.00 0.86 H new ATOM 0 HB3 PRO A 190 7.894 0.477 -9.875 1.00 0.86 H new ATOM 0 HG2 PRO A 190 6.674 2.542 -8.738 1.00 0.86 H new ATOM 0 HG3 PRO A 190 5.729 1.362 -9.624 1.00 0.86 H new ATOM 0 HD2 PRO A 190 6.027 1.689 -6.640 1.00 0.78 H new ATOM 0 HD3 PRO A 190 4.600 1.258 -7.562 1.00 0.78 H new ATOM 1204 N LYS A 191 8.997 -2.207 -8.190 1.00 1.06 N ATOM 1205 CA LYS A 191 10.012 -3.041 -7.568 1.00 1.32 C ATOM 1206 C LYS A 191 10.989 -2.204 -6.755 1.00 1.50 C ATOM 1207 O LYS A 191 11.622 -1.277 -7.270 1.00 1.61 O ATOM 1208 CB LYS A 191 10.752 -3.832 -8.651 1.00 1.60 C ATOM 1209 CG LYS A 191 11.938 -4.625 -8.135 1.00 1.99 C ATOM 1210 CD LYS A 191 12.591 -5.427 -9.247 1.00 2.64 C ATOM 1211 CE LYS A 191 13.959 -5.931 -8.826 1.00 3.26 C ATOM 1212 NZ LYS A 191 14.914 -4.810 -8.626 1.00 3.64 N ATOM 0 H LYS A 191 8.935 -2.306 -9.203 1.00 1.06 H new ATOM 0 HA LYS A 191 9.525 -3.734 -6.882 1.00 1.32 H new ATOM 0 HB2 LYS A 191 10.051 -4.516 -9.129 1.00 1.60 H new ATOM 0 HB3 LYS A 191 11.097 -3.140 -9.420 1.00 1.60 H new ATOM 0 HG2 LYS A 191 12.669 -3.946 -7.696 1.00 1.99 H new ATOM 0 HG3 LYS A 191 11.611 -5.298 -7.342 1.00 1.99 H new ATOM 0 HD2 LYS A 191 11.955 -6.271 -9.513 1.00 2.64 H new ATOM 0 HD3 LYS A 191 12.687 -4.807 -10.139 1.00 2.64 H new ATOM 0 HE2 LYS A 191 13.869 -6.503 -7.902 1.00 3.26 H new ATOM 0 HE3 LYS A 191 14.347 -6.610 -9.585 1.00 3.26 H new ATOM 0 HZ1 LYS A 191 15.888 -5.161 -8.726 1.00 3.64 H new ATOM 0 HZ2 LYS A 191 14.737 -4.072 -9.338 1.00 3.64 H new ATOM 0 HZ3 LYS A 191 14.786 -4.411 -7.674 1.00 3.64 H new ATOM 1226 N LYS A 192 11.109 -2.566 -5.490 1.00 1.73 N ATOM 1227 CA LYS A 192 11.949 -1.853 -4.544 1.00 2.06 C ATOM 1228 C LYS A 192 13.270 -2.596 -4.361 1.00 2.14 C ATOM 1229 O LYS A 192 13.850 -3.085 -5.330 1.00 2.45 O ATOM 1230 CB LYS A 192 11.212 -1.706 -3.204 1.00 2.43 C ATOM 1231 CG LYS A 192 10.670 -3.019 -2.661 1.00 2.74 C ATOM 1232 CD LYS A 192 9.953 -2.826 -1.337 1.00 3.41 C ATOM 1233 CE LYS A 192 9.409 -4.144 -0.822 1.00 4.16 C ATOM 1234 NZ LYS A 192 8.669 -3.997 0.462 1.00 4.71 N ATOM 0 H LYS A 192 10.623 -3.368 -5.088 1.00 1.73 H new ATOM 0 HA LYS A 192 12.167 -0.857 -4.929 1.00 2.06 H new ATOM 0 HB2 LYS A 192 11.892 -1.272 -2.471 1.00 2.43 H new ATOM 0 HB3 LYS A 192 10.387 -1.005 -3.328 1.00 2.43 H new ATOM 0 HG2 LYS A 192 9.984 -3.457 -3.386 1.00 2.74 H new ATOM 0 HG3 LYS A 192 11.490 -3.725 -2.531 1.00 2.74 H new ATOM 0 HD2 LYS A 192 10.639 -2.400 -0.605 1.00 3.41 H new ATOM 0 HD3 LYS A 192 9.137 -2.114 -1.461 1.00 3.41 H new ATOM 0 HE2 LYS A 192 8.746 -4.577 -1.571 1.00 4.16 H new ATOM 0 HE3 LYS A 192 10.233 -4.844 -0.684 1.00 4.16 H new ATOM 0 HZ1 LYS A 192 8.045 -4.818 0.599 1.00 4.71 H new ATOM 0 HZ2 LYS A 192 9.347 -3.942 1.249 1.00 4.71 H new ATOM 0 HZ3 LYS A 192 8.098 -3.128 0.436 1.00 4.71 H new ATOM 1248 N VAL A 193 13.736 -2.693 -3.125 1.00 2.09 N ATOM 1249 CA VAL A 193 14.917 -3.481 -2.822 1.00 2.30 C ATOM 1250 C VAL A 193 14.492 -4.868 -2.370 1.00 2.34 C ATOM 1251 O VAL A 193 13.822 -5.023 -1.347 1.00 2.29 O ATOM 1252 CB VAL A 193 15.791 -2.817 -1.737 1.00 2.58 C ATOM 1253 CG1 VAL A 193 17.052 -3.632 -1.490 1.00 2.90 C ATOM 1254 CG2 VAL A 193 16.143 -1.390 -2.132 1.00 2.95 C ATOM 0 H VAL A 193 13.313 -2.235 -2.317 1.00 2.09 H new ATOM 0 HA VAL A 193 15.520 -3.550 -3.728 1.00 2.30 H new ATOM 0 HB VAL A 193 15.219 -2.784 -0.810 1.00 2.58 H new ATOM 0 HG11 VAL A 193 17.654 -3.147 -0.722 1.00 2.90 H new ATOM 0 HG12 VAL A 193 16.779 -4.634 -1.158 1.00 2.90 H new ATOM 0 HG13 VAL A 193 17.628 -3.700 -2.413 1.00 2.90 H new ATOM 0 HG21 VAL A 193 16.759 -0.939 -1.354 1.00 2.95 H new ATOM 0 HG22 VAL A 193 16.694 -1.398 -3.073 1.00 2.95 H new ATOM 0 HG23 VAL A 193 15.228 -0.810 -2.252 1.00 2.95 H new