USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 732 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 180:sc= -0.167 USER MOD Set 1.2: A 186 HIS : no HD1:sc= -0.899 K(o=-1.1,f=-3.2!) USER MOD Set 2.1: A 122 GLN : amide:sc= -8.17! C(o=-6.5!,f=-5.5!) USER MOD Set 2.2: A 192 LYS NZ :NH3+ 163:sc= 1.7 (180deg=0.284) USER MOD Single : A 113 THR OG1 : rot 25:sc= 0.424 USER MOD Single : A 123 SER OG : rot -170:sc= -0.293 USER MOD Single : A 130 LYS NZ :NH3+ -156:sc= 1.1 (180deg=0.336) USER MOD Single : A 139 GLN : amide:sc= -4.42! K(o=-4.4!,f=-0.2) USER MOD Single : A 148 THR OG1 : rot 102:sc= 0.887 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 CYS SG : rot 180:sc= -1.64 USER MOD Single : A 160 GLN : amide:sc= -4.71 K(o=-4.7,f=-7.3!) USER MOD Single : A 161 GLN : amide:sc= -1.39! K(o=-1.4!,f=-0.035) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ -140:sc= 1.11 (180deg=-0.532) USER MOD Single : A 172 SER OG : rot -111:sc= 0.127 USER MOD Single : A 173 SER OG : rot -47:sc= 0.291 USER MOD Single : A 174 CYS SG : rot 65:sc= -4.17! USER MOD Single : A 176 LYS NZ :NH3+ -155:sc= 1.25 (180deg=1.06) USER MOD Single : A 178 GLN : amide:sc= -5.21! C(o=-5.2!,f=-12!) USER MOD Single : A 181 LYS NZ :NH3+ -170:sc=-0.00581 (180deg=-0.118) USER MOD Single : A 183 SER OG : rot -45:sc= 0.156 USER MOD Single : A 188 THR OG1 : rot -170:sc= -4.62! USER MOD Single : A 191 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 195 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 197 THR OG1 : rot 34:sc= 0.519 USER MOD Single : A 200 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 113 -13.801 -12.320 -0.520 1.00 7.11 N ATOM 2 CA THR A 113 -13.076 -11.459 0.433 1.00 6.14 C ATOM 3 C THR A 113 -11.962 -12.273 1.068 1.00 5.79 C ATOM 4 O THR A 113 -12.231 -13.237 1.786 1.00 6.50 O ATOM 5 CB THR A 113 -14.021 -10.942 1.532 1.00 6.71 C ATOM 6 OG1 THR A 113 -15.307 -10.638 0.970 1.00 7.38 O ATOM 7 CG2 THR A 113 -13.464 -9.691 2.186 1.00 6.15 C ATOM 0 HA THR A 113 -12.668 -10.600 -0.100 1.00 6.14 H new ATOM 0 HB THR A 113 -14.117 -11.724 2.285 1.00 6.71 H new ATOM 0 HG1 THR A 113 -15.444 -11.171 0.159 1.00 7.38 H new ATOM 0 HG21 THR A 113 -14.152 -9.347 2.959 1.00 6.15 H new ATOM 0 HG22 THR A 113 -12.496 -9.915 2.635 1.00 6.15 H new ATOM 0 HG23 THR A 113 -13.343 -8.911 1.435 1.00 6.15 H new ATOM 17 N PRO A 114 -10.694 -11.920 0.817 1.00 4.87 N ATOM 18 CA PRO A 114 -9.574 -12.775 1.183 1.00 4.81 C ATOM 19 C PRO A 114 -9.280 -12.717 2.664 1.00 4.53 C ATOM 20 O PRO A 114 -9.299 -11.632 3.254 1.00 4.06 O ATOM 21 CB PRO A 114 -8.443 -12.168 0.380 1.00 4.27 C ATOM 22 CG PRO A 114 -8.724 -10.734 0.533 1.00 3.42 C ATOM 23 CD PRO A 114 -10.210 -10.610 0.322 1.00 4.00 C ATOM 0 HA PRO A 114 -9.751 -13.831 0.979 1.00 4.81 H new ATOM 0 HB2 PRO A 114 -7.465 -12.440 0.776 1.00 4.27 H new ATOM 0 HB3 PRO A 114 -8.464 -12.483 -0.663 1.00 4.27 H new ATOM 0 HG2 PRO A 114 -8.433 -10.377 1.521 1.00 3.42 H new ATOM 0 HG3 PRO A 114 -8.170 -10.142 -0.196 1.00 3.42 H new ATOM 0 HD2 PRO A 114 -10.635 -9.778 0.883 1.00 4.00 H new ATOM 0 HD3 PRO A 114 -10.463 -10.450 -0.726 1.00 4.00 H new ATOM 31 N GLU A 115 -9.001 -13.872 3.248 1.00 5.07 N ATOM 32 CA GLU A 115 -8.549 -13.960 4.625 1.00 5.19 C ATOM 33 C GLU A 115 -9.609 -13.474 5.615 1.00 4.43 C ATOM 34 O GLU A 115 -10.249 -14.266 6.307 1.00 4.78 O ATOM 35 CB GLU A 115 -7.255 -13.168 4.763 1.00 6.23 C ATOM 36 CG GLU A 115 -6.050 -13.909 4.207 1.00 6.90 C ATOM 37 CD GLU A 115 -4.796 -13.064 4.146 1.00 7.69 C ATOM 38 OE1 GLU A 115 -4.526 -12.475 3.079 1.00 8.15 O ATOM 39 OE2 GLU A 115 -4.058 -13.009 5.152 1.00 8.07 O ATOM 0 H GLU A 115 -9.082 -14.774 2.779 1.00 5.07 H new ATOM 0 HA GLU A 115 -8.369 -15.007 4.870 1.00 5.19 H new ATOM 0 HB2 GLU A 115 -7.361 -12.215 4.245 1.00 6.23 H new ATOM 0 HB3 GLU A 115 -7.083 -12.942 5.815 1.00 6.23 H new ATOM 0 HG2 GLU A 115 -5.857 -14.787 4.824 1.00 6.90 H new ATOM 0 HG3 GLU A 115 -6.285 -14.269 3.205 1.00 6.90 H new ATOM 46 N LEU A 116 -9.793 -12.172 5.650 1.00 3.64 N ATOM 47 CA LEU A 116 -10.760 -11.534 6.521 1.00 3.32 C ATOM 48 C LEU A 116 -11.434 -10.399 5.758 1.00 2.70 C ATOM 49 O LEU A 116 -12.651 -10.225 5.828 1.00 3.08 O ATOM 50 CB LEU A 116 -10.065 -11.012 7.792 1.00 3.81 C ATOM 51 CG LEU A 116 -10.978 -10.604 8.962 1.00 4.59 C ATOM 52 CD1 LEU A 116 -11.639 -9.256 8.712 1.00 5.28 C ATOM 53 CD2 LEU A 116 -12.032 -11.672 9.214 1.00 5.24 C ATOM 0 H LEU A 116 -9.270 -11.518 5.068 1.00 3.64 H new ATOM 0 HA LEU A 116 -11.518 -12.254 6.830 1.00 3.32 H new ATOM 0 HB2 LEU A 116 -9.381 -11.783 8.147 1.00 3.81 H new ATOM 0 HB3 LEU A 116 -9.458 -10.149 7.518 1.00 3.81 H new ATOM 0 HG LEU A 116 -10.353 -10.509 9.850 1.00 4.59 H new ATOM 0 HD11 LEU A 116 -12.276 -9.001 9.559 1.00 5.28 H new ATOM 0 HD12 LEU A 116 -10.872 -8.491 8.591 1.00 5.28 H new ATOM 0 HD13 LEU A 116 -12.243 -9.309 7.806 1.00 5.28 H new ATOM 0 HD21 LEU A 116 -12.668 -11.366 10.045 1.00 5.24 H new ATOM 0 HD22 LEU A 116 -12.641 -11.801 8.319 1.00 5.24 H new ATOM 0 HD23 LEU A 116 -11.543 -12.615 9.459 1.00 5.24 H new ATOM 65 N ALA A 117 -10.635 -9.652 4.997 1.00 2.22 N ATOM 66 CA ALA A 117 -11.143 -8.505 4.261 1.00 1.98 C ATOM 67 C ALA A 117 -10.262 -8.151 3.065 1.00 1.62 C ATOM 68 O ALA A 117 -10.729 -8.094 1.929 1.00 1.76 O ATOM 69 CB ALA A 117 -11.259 -7.301 5.184 1.00 2.55 C ATOM 0 H ALA A 117 -9.637 -9.823 4.877 1.00 2.22 H new ATOM 0 HA ALA A 117 -12.127 -8.777 3.879 1.00 1.98 H new ATOM 0 HB1 ALA A 117 -11.640 -6.448 4.623 1.00 2.55 H new ATOM 0 HB2 ALA A 117 -11.943 -7.533 6.001 1.00 2.55 H new ATOM 0 HB3 ALA A 117 -10.277 -7.058 5.591 1.00 2.55 H new ATOM 75 N LEU A 118 -8.988 -7.928 3.326 1.00 1.44 N ATOM 76 CA LEU A 118 -8.100 -7.300 2.361 1.00 1.29 C ATOM 77 C LEU A 118 -6.969 -8.205 1.905 1.00 0.93 C ATOM 78 O LEU A 118 -6.483 -9.048 2.659 1.00 0.99 O ATOM 79 CB LEU A 118 -7.530 -6.012 2.949 1.00 1.74 C ATOM 80 CG LEU A 118 -7.450 -5.960 4.486 1.00 2.42 C ATOM 81 CD1 LEU A 118 -6.467 -6.985 5.033 1.00 3.17 C ATOM 82 CD2 LEU A 118 -7.071 -4.564 4.951 1.00 2.96 C ATOM 0 H LEU A 118 -8.539 -8.175 4.208 1.00 1.44 H new ATOM 0 HA LEU A 118 -8.699 -7.083 1.477 1.00 1.29 H new ATOM 0 HB2 LEU A 118 -6.529 -5.862 2.546 1.00 1.74 H new ATOM 0 HB3 LEU A 118 -8.140 -5.176 2.606 1.00 1.74 H new ATOM 0 HG LEU A 118 -8.437 -6.208 4.875 1.00 2.42 H new ATOM 0 HD11 LEU A 118 -6.438 -6.917 6.121 1.00 3.17 H new ATOM 0 HD12 LEU A 118 -6.784 -7.986 4.740 1.00 3.17 H new ATOM 0 HD13 LEU A 118 -5.473 -6.787 4.631 1.00 3.17 H new ATOM 0 HD21 LEU A 118 -7.019 -4.545 6.040 1.00 2.96 H new ATOM 0 HD22 LEU A 118 -6.100 -4.294 4.536 1.00 2.96 H new ATOM 0 HD23 LEU A 118 -7.822 -3.851 4.611 1.00 2.96 H new ATOM 94 N ASP A 119 -6.569 -8.030 0.653 1.00 0.79 N ATOM 95 CA ASP A 119 -5.528 -8.860 0.068 1.00 0.65 C ATOM 96 C ASP A 119 -4.352 -8.012 -0.381 1.00 0.56 C ATOM 97 O ASP A 119 -4.523 -7.034 -1.098 1.00 0.59 O ATOM 98 CB ASP A 119 -6.082 -9.640 -1.130 1.00 0.84 C ATOM 99 CG ASP A 119 -5.002 -10.332 -1.942 1.00 1.06 C ATOM 100 OD1 ASP A 119 -4.367 -9.670 -2.790 1.00 1.51 O ATOM 101 OD2 ASP A 119 -4.806 -11.548 -1.764 1.00 1.42 O ATOM 0 H ASP A 119 -6.949 -7.322 0.025 1.00 0.79 H new ATOM 0 HA ASP A 119 -5.187 -9.561 0.830 1.00 0.65 H new ATOM 0 HB2 ASP A 119 -6.793 -10.385 -0.773 1.00 0.84 H new ATOM 0 HB3 ASP A 119 -6.633 -8.957 -1.777 1.00 0.84 H new ATOM 106 N TRP A 120 -3.160 -8.399 0.030 1.00 0.54 N ATOM 107 CA TRP A 120 -1.943 -7.770 -0.443 1.00 0.57 C ATOM 108 C TRP A 120 -1.007 -8.829 -0.958 1.00 0.74 C ATOM 109 O TRP A 120 -1.121 -10.007 -0.610 1.00 0.85 O ATOM 110 CB TRP A 120 -1.218 -7.025 0.672 1.00 0.65 C ATOM 111 CG TRP A 120 -2.146 -6.377 1.645 1.00 0.64 C ATOM 112 CD1 TRP A 120 -3.263 -5.663 1.347 1.00 0.60 C ATOM 113 CD2 TRP A 120 -2.049 -6.404 3.072 1.00 0.76 C ATOM 114 NE1 TRP A 120 -3.869 -5.232 2.503 1.00 0.73 N ATOM 115 CE2 TRP A 120 -3.140 -5.673 3.575 1.00 0.82 C ATOM 116 CE3 TRP A 120 -1.144 -6.969 3.973 1.00 0.88 C ATOM 117 CZ2 TRP A 120 -3.349 -5.494 4.937 1.00 0.99 C ATOM 118 CZ3 TRP A 120 -1.354 -6.792 5.326 1.00 1.02 C ATOM 119 CH2 TRP A 120 -2.449 -6.061 5.797 1.00 1.08 C ATOM 0 H TRP A 120 -3.008 -9.155 0.698 1.00 0.54 H new ATOM 0 HA TRP A 120 -2.224 -7.062 -1.223 1.00 0.57 H new ATOM 0 HB2 TRP A 120 -0.571 -7.722 1.205 1.00 0.65 H new ATOM 0 HB3 TRP A 120 -0.573 -6.264 0.232 1.00 0.65 H new ATOM 0 HD1 TRP A 120 -3.622 -5.463 0.348 1.00 0.60 H new ATOM 0 HE1 TRP A 120 -4.722 -4.675 2.554 1.00 0.73 H new ATOM 0 HE3 TRP A 120 -0.295 -7.534 3.618 1.00 0.88 H new ATOM 0 HZ2 TRP A 120 -4.192 -4.927 5.304 1.00 0.99 H new ATOM 0 HZ3 TRP A 120 -0.661 -7.225 6.032 1.00 1.02 H new ATOM 0 HH2 TRP A 120 -2.587 -5.942 6.861 1.00 1.08 H new ATOM 130 N ARG A 121 -0.093 -8.414 -1.787 1.00 0.81 N ATOM 131 CA ARG A 121 0.993 -9.265 -2.200 1.00 1.06 C ATOM 132 C ARG A 121 2.201 -8.425 -2.507 1.00 1.14 C ATOM 133 O ARG A 121 2.089 -7.299 -2.985 1.00 1.05 O ATOM 134 CB ARG A 121 0.641 -10.112 -3.405 1.00 1.20 C ATOM 135 CG ARG A 121 0.456 -9.318 -4.683 1.00 1.31 C ATOM 136 CD ARG A 121 -0.849 -8.565 -4.666 1.00 1.18 C ATOM 137 NE ARG A 121 -1.991 -9.445 -4.423 1.00 1.60 N ATOM 138 CZ ARG A 121 -2.496 -10.278 -5.333 1.00 1.99 C ATOM 139 NH1 ARG A 121 -1.995 -10.312 -6.565 1.00 2.34 N ATOM 140 NH2 ARG A 121 -3.506 -11.070 -5.004 1.00 2.57 N ATOM 0 H ARG A 121 -0.076 -7.480 -2.196 1.00 0.81 H new ATOM 0 HA ARG A 121 1.204 -9.947 -1.376 1.00 1.06 H new ATOM 0 HB2 ARG A 121 1.427 -10.851 -3.559 1.00 1.20 H new ATOM 0 HB3 ARG A 121 -0.276 -10.662 -3.195 1.00 1.20 H new ATOM 0 HG2 ARG A 121 1.283 -8.618 -4.803 1.00 1.31 H new ATOM 0 HG3 ARG A 121 0.481 -9.991 -5.540 1.00 1.31 H new ATOM 0 HD2 ARG A 121 -0.813 -7.797 -3.893 1.00 1.18 H new ATOM 0 HD3 ARG A 121 -0.983 -8.053 -5.619 1.00 1.18 H new ATOM 0 HE ARG A 121 -2.428 -9.420 -3.502 1.00 1.60 H new ATOM 0 HH11 ARG A 121 -1.220 -9.699 -6.818 1.00 2.34 H new ATOM 0 HH12 ARG A 121 -2.386 -10.952 -7.257 1.00 2.34 H new ATOM 0 HH21 ARG A 121 -3.892 -11.039 -4.060 1.00 2.57 H new ATOM 0 HH22 ARG A 121 -3.898 -11.710 -5.695 1.00 2.57 H new ATOM 154 N GLN A 122 3.348 -8.955 -2.221 1.00 1.38 N ATOM 155 CA GLN A 122 4.573 -8.276 -2.541 1.00 1.54 C ATOM 156 C GLN A 122 5.450 -9.170 -3.413 1.00 1.87 C ATOM 157 O GLN A 122 5.521 -10.380 -3.204 1.00 2.08 O ATOM 158 CB GLN A 122 5.267 -7.905 -1.215 1.00 1.73 C ATOM 159 CG GLN A 122 6.790 -7.877 -1.247 1.00 2.15 C ATOM 160 CD GLN A 122 7.358 -6.631 -1.888 1.00 2.06 C ATOM 161 OE1 GLN A 122 8.434 -6.166 -1.518 1.00 2.16 O ATOM 162 NE2 GLN A 122 6.642 -6.063 -2.833 1.00 1.91 N ATOM 0 H GLN A 122 3.467 -9.859 -1.765 1.00 1.38 H new ATOM 0 HA GLN A 122 4.382 -7.366 -3.110 1.00 1.54 H new ATOM 0 HB2 GLN A 122 4.911 -6.923 -0.903 1.00 1.73 H new ATOM 0 HB3 GLN A 122 4.952 -8.616 -0.451 1.00 1.73 H new ATOM 0 HG2 GLN A 122 7.168 -7.956 -0.228 1.00 2.15 H new ATOM 0 HG3 GLN A 122 7.150 -8.751 -1.789 1.00 2.15 H new ATOM 0 HE21 GLN A 122 5.753 -6.475 -3.117 1.00 1.91 H new ATOM 0 HE22 GLN A 122 6.975 -5.210 -3.283 1.00 1.91 H new ATOM 171 N SER A 123 6.088 -8.572 -4.402 1.00 1.94 N ATOM 172 CA SER A 123 7.019 -9.269 -5.247 1.00 2.32 C ATOM 173 C SER A 123 8.227 -8.368 -5.427 1.00 2.43 C ATOM 174 O SER A 123 8.177 -7.195 -5.050 1.00 2.22 O ATOM 175 CB SER A 123 6.356 -9.605 -6.589 1.00 2.41 C ATOM 176 OG SER A 123 7.197 -10.399 -7.411 1.00 2.83 O ATOM 0 H SER A 123 5.970 -7.586 -4.636 1.00 1.94 H new ATOM 0 HA SER A 123 7.331 -10.214 -4.801 1.00 2.32 H new ATOM 0 HB2 SER A 123 5.420 -10.134 -6.409 1.00 2.41 H new ATOM 0 HB3 SER A 123 6.105 -8.682 -7.111 1.00 2.41 H new ATOM 0 HG SER A 123 6.812 -10.460 -8.310 1.00 2.83 H new ATOM 182 N ALA A 124 9.276 -8.881 -6.040 1.00 2.77 N ATOM 183 CA ALA A 124 10.504 -8.121 -6.244 1.00 2.93 C ATOM 184 C ALA A 124 10.266 -6.888 -7.106 1.00 2.70 C ATOM 185 O ALA A 124 11.116 -6.007 -7.233 1.00 2.77 O ATOM 186 CB ALA A 124 11.529 -9.015 -6.901 1.00 3.35 C ATOM 0 H ALA A 124 9.306 -9.831 -6.411 1.00 2.77 H new ATOM 0 HA ALA A 124 10.864 -7.779 -5.274 1.00 2.93 H new ATOM 0 HB1 ALA A 124 12.452 -8.456 -7.058 1.00 3.35 H new ATOM 0 HB2 ALA A 124 11.729 -9.873 -6.259 1.00 3.35 H new ATOM 0 HB3 ALA A 124 11.147 -9.362 -7.861 1.00 3.35 H new ATOM 192 N GLU A 125 9.105 -6.864 -7.697 1.00 2.48 N ATOM 193 CA GLU A 125 8.744 -5.900 -8.706 1.00 2.35 C ATOM 194 C GLU A 125 7.778 -4.845 -8.183 1.00 1.91 C ATOM 195 O GLU A 125 7.784 -3.708 -8.652 1.00 1.78 O ATOM 196 CB GLU A 125 8.087 -6.687 -9.819 1.00 2.56 C ATOM 197 CG GLU A 125 7.190 -7.778 -9.255 1.00 2.56 C ATOM 198 CD GLU A 125 6.446 -8.555 -10.317 1.00 2.86 C ATOM 199 OE1 GLU A 125 6.722 -9.760 -10.490 1.00 3.11 O ATOM 200 OE2 GLU A 125 5.583 -7.950 -10.990 1.00 2.98 O ATOM 0 H GLU A 125 8.362 -7.530 -7.487 1.00 2.48 H new ATOM 0 HA GLU A 125 9.631 -5.362 -9.040 1.00 2.35 H new ATOM 0 HB2 GLU A 125 7.500 -6.016 -10.447 1.00 2.56 H new ATOM 0 HB3 GLU A 125 8.852 -7.132 -10.456 1.00 2.56 H new ATOM 0 HG2 GLU A 125 7.796 -8.468 -8.668 1.00 2.56 H new ATOM 0 HG3 GLU A 125 6.469 -7.328 -8.573 1.00 2.56 H new ATOM 207 N GLU A 126 6.948 -5.222 -7.215 1.00 1.72 N ATOM 208 CA GLU A 126 5.838 -4.385 -6.818 1.00 1.33 C ATOM 209 C GLU A 126 5.308 -4.763 -5.462 1.00 1.27 C ATOM 210 O GLU A 126 5.291 -5.939 -5.095 1.00 1.55 O ATOM 211 CB GLU A 126 4.717 -4.505 -7.844 1.00 1.42 C ATOM 212 CG GLU A 126 4.492 -5.939 -8.281 1.00 1.81 C ATOM 213 CD GLU A 126 3.125 -6.170 -8.883 1.00 1.94 C ATOM 214 OE1 GLU A 126 2.466 -7.165 -8.513 1.00 2.06 O ATOM 215 OE2 GLU A 126 2.711 -5.364 -9.739 1.00 2.15 O ATOM 0 H GLU A 126 7.028 -6.098 -6.698 1.00 1.72 H new ATOM 0 HA GLU A 126 6.200 -3.358 -6.766 1.00 1.33 H new ATOM 0 HB2 GLU A 126 3.795 -4.107 -7.420 1.00 1.42 H new ATOM 0 HB3 GLU A 126 4.957 -3.895 -8.715 1.00 1.42 H new ATOM 0 HG2 GLU A 126 5.254 -6.214 -9.010 1.00 1.81 H new ATOM 0 HG3 GLU A 126 4.620 -6.598 -7.422 1.00 1.81 H new ATOM 222 N VAL A 127 4.863 -3.766 -4.723 1.00 0.96 N ATOM 223 CA VAL A 127 4.154 -4.030 -3.490 1.00 0.93 C ATOM 224 C VAL A 127 2.689 -3.728 -3.700 1.00 0.66 C ATOM 225 O VAL A 127 2.321 -2.597 -4.004 1.00 0.53 O ATOM 226 CB VAL A 127 4.648 -3.183 -2.299 1.00 1.08 C ATOM 227 CG1 VAL A 127 3.951 -3.619 -1.017 1.00 1.31 C ATOM 228 CG2 VAL A 127 6.153 -3.255 -2.147 1.00 1.53 C ATOM 0 H VAL A 127 4.978 -2.779 -4.952 1.00 0.96 H new ATOM 0 HA VAL A 127 4.333 -5.077 -3.244 1.00 0.93 H new ATOM 0 HB VAL A 127 4.393 -2.142 -2.500 1.00 1.08 H new ATOM 0 HG11 VAL A 127 4.309 -3.013 -0.184 1.00 1.31 H new ATOM 0 HG12 VAL A 127 2.874 -3.487 -1.125 1.00 1.31 H new ATOM 0 HG13 VAL A 127 4.170 -4.669 -0.823 1.00 1.31 H new ATOM 0 HG21 VAL A 127 6.462 -2.646 -1.298 1.00 1.53 H new ATOM 0 HG22 VAL A 127 6.453 -4.290 -1.980 1.00 1.53 H new ATOM 0 HG23 VAL A 127 6.629 -2.882 -3.054 1.00 1.53 H new ATOM 238 N ILE A 128 1.862 -4.734 -3.542 1.00 0.64 N ATOM 239 CA ILE A 128 0.446 -4.583 -3.781 1.00 0.48 C ATOM 240 C ILE A 128 -0.350 -4.737 -2.514 1.00 0.46 C ATOM 241 O ILE A 128 -0.242 -5.739 -1.824 1.00 0.56 O ATOM 242 CB ILE A 128 -0.071 -5.577 -4.831 1.00 0.56 C ATOM 243 CG1 ILE A 128 0.699 -5.383 -6.126 1.00 0.64 C ATOM 244 CG2 ILE A 128 -1.557 -5.357 -5.049 1.00 0.55 C ATOM 245 CD1 ILE A 128 0.837 -3.927 -6.463 1.00 0.55 C ATOM 0 H ILE A 128 2.146 -5.669 -3.248 1.00 0.64 H new ATOM 0 HA ILE A 128 0.310 -3.572 -4.165 1.00 0.48 H new ATOM 0 HB ILE A 128 0.079 -6.599 -4.484 1.00 0.56 H new ATOM 0 HG12 ILE A 128 1.688 -5.833 -6.035 1.00 0.64 H new ATOM 0 HG13 ILE A 128 0.187 -5.900 -6.938 1.00 0.64 H new ATOM 0 HG21 ILE A 128 -1.924 -6.063 -5.794 1.00 0.55 H new ATOM 0 HG22 ILE A 128 -2.089 -5.511 -4.110 1.00 0.55 H new ATOM 0 HG23 ILE A 128 -1.727 -4.339 -5.399 1.00 0.55 H new ATOM 0 HD11 ILE A 128 1.392 -3.820 -7.395 1.00 0.55 H new ATOM 0 HD12 ILE A 128 -0.153 -3.485 -6.578 1.00 0.55 H new ATOM 0 HD13 ILE A 128 1.372 -3.417 -5.661 1.00 0.55 H new ATOM 257 N VAL A 129 -1.135 -3.729 -2.207 1.00 0.39 N ATOM 258 CA VAL A 129 -2.056 -3.800 -1.092 1.00 0.42 C ATOM 259 C VAL A 129 -3.452 -3.421 -1.593 1.00 0.36 C ATOM 260 O VAL A 129 -3.651 -2.354 -2.174 1.00 0.37 O ATOM 261 CB VAL A 129 -1.576 -2.876 0.063 1.00 0.52 C ATOM 262 CG1 VAL A 129 -1.156 -1.552 -0.498 1.00 0.73 C ATOM 263 CG2 VAL A 129 -2.635 -2.661 1.127 1.00 0.79 C ATOM 0 H VAL A 129 -1.155 -2.845 -2.716 1.00 0.39 H new ATOM 0 HA VAL A 129 -2.093 -4.812 -0.689 1.00 0.42 H new ATOM 0 HB VAL A 129 -0.735 -3.375 0.544 1.00 0.52 H new ATOM 0 HG11 VAL A 129 -0.820 -0.904 0.311 1.00 0.73 H new ATOM 0 HG12 VAL A 129 -0.342 -1.699 -1.207 1.00 0.73 H new ATOM 0 HG13 VAL A 129 -2.001 -1.088 -1.007 1.00 0.73 H new ATOM 0 HG21 VAL A 129 -2.241 -2.008 1.906 1.00 0.79 H new ATOM 0 HG22 VAL A 129 -3.514 -2.200 0.677 1.00 0.79 H new ATOM 0 HG23 VAL A 129 -2.912 -3.620 1.564 1.00 0.79 H new ATOM 273 N LYS A 130 -4.392 -4.338 -1.424 1.00 0.36 N ATOM 274 CA LYS A 130 -5.751 -4.157 -1.873 1.00 0.33 C ATOM 275 C LYS A 130 -6.666 -4.020 -0.688 1.00 0.37 C ATOM 276 O LYS A 130 -6.755 -4.919 0.156 1.00 0.43 O ATOM 277 CB LYS A 130 -6.248 -5.303 -2.758 1.00 0.37 C ATOM 278 CG LYS A 130 -5.398 -5.579 -3.983 1.00 0.83 C ATOM 279 CD LYS A 130 -6.222 -6.252 -5.068 1.00 1.18 C ATOM 280 CE LYS A 130 -6.872 -7.547 -4.595 1.00 1.57 C ATOM 281 NZ LYS A 130 -5.933 -8.695 -4.631 1.00 1.50 N ATOM 0 H LYS A 130 -4.225 -5.234 -0.967 1.00 0.36 H new ATOM 0 HA LYS A 130 -5.761 -3.250 -2.477 1.00 0.33 H new ATOM 0 HB2 LYS A 130 -6.299 -6.211 -2.157 1.00 0.37 H new ATOM 0 HB3 LYS A 130 -7.264 -5.078 -3.082 1.00 0.37 H new ATOM 0 HG2 LYS A 130 -4.983 -4.645 -4.362 1.00 0.83 H new ATOM 0 HG3 LYS A 130 -4.556 -6.215 -3.712 1.00 0.83 H new ATOM 0 HD2 LYS A 130 -6.996 -5.565 -5.409 1.00 1.18 H new ATOM 0 HD3 LYS A 130 -5.583 -6.463 -5.925 1.00 1.18 H new ATOM 0 HE2 LYS A 130 -7.242 -7.415 -3.578 1.00 1.57 H new ATOM 0 HE3 LYS A 130 -7.736 -7.767 -5.222 1.00 1.57 H new ATOM 0 HZ1 LYS A 130 -6.471 -9.582 -4.704 1.00 1.50 H new ATOM 0 HZ2 LYS A 130 -5.304 -8.603 -5.454 1.00 1.50 H new ATOM 0 HZ3 LYS A 130 -5.365 -8.706 -3.760 1.00 1.50 H new ATOM 295 N LEU A 131 -7.368 -2.910 -0.655 1.00 0.38 N ATOM 296 CA LEU A 131 -8.088 -2.503 0.513 1.00 0.47 C ATOM 297 C LEU A 131 -9.583 -2.460 0.219 1.00 0.45 C ATOM 298 O LEU A 131 -10.005 -2.054 -0.858 1.00 0.41 O ATOM 299 CB LEU A 131 -7.537 -1.146 0.940 1.00 0.51 C ATOM 300 CG LEU A 131 -5.999 -1.061 0.903 1.00 0.60 C ATOM 301 CD1 LEU A 131 -5.536 -0.192 -0.258 1.00 0.72 C ATOM 302 CD2 LEU A 131 -5.455 -0.520 2.215 1.00 0.96 C ATOM 0 H LEU A 131 -7.451 -2.268 -1.443 1.00 0.38 H new ATOM 0 HA LEU A 131 -7.957 -3.213 1.330 1.00 0.47 H new ATOM 0 HB2 LEU A 131 -7.950 -0.375 0.289 1.00 0.51 H new ATOM 0 HB3 LEU A 131 -7.880 -0.927 1.951 1.00 0.51 H new ATOM 0 HG LEU A 131 -5.610 -2.069 0.759 1.00 0.60 H new ATOM 0 HD11 LEU A 131 -4.447 -0.145 -0.266 1.00 0.72 H new ATOM 0 HD12 LEU A 131 -5.888 -0.621 -1.196 1.00 0.72 H new ATOM 0 HD13 LEU A 131 -5.941 0.813 -0.144 1.00 0.72 H new ATOM 0 HD21 LEU A 131 -4.367 -0.469 2.165 1.00 0.96 H new ATOM 0 HD22 LEU A 131 -5.857 0.478 2.392 1.00 0.96 H new ATOM 0 HD23 LEU A 131 -5.750 -1.180 3.031 1.00 0.96 H new ATOM 314 N ARG A 132 -10.369 -2.911 1.176 1.00 0.57 N ATOM 315 CA ARG A 132 -11.807 -3.058 0.998 1.00 0.63 C ATOM 316 C ARG A 132 -12.555 -1.858 1.544 1.00 0.60 C ATOM 317 O ARG A 132 -12.240 -1.359 2.624 1.00 0.67 O ATOM 318 CB ARG A 132 -12.305 -4.339 1.658 1.00 0.85 C ATOM 319 CG ARG A 132 -11.894 -5.593 0.911 1.00 1.32 C ATOM 320 CD ARG A 132 -12.450 -5.597 -0.503 1.00 1.84 C ATOM 321 NE ARG A 132 -12.089 -6.798 -1.255 1.00 2.53 N ATOM 322 CZ ARG A 132 -12.651 -7.124 -2.420 1.00 3.25 C ATOM 323 NH1 ARG A 132 -13.595 -6.344 -2.936 1.00 3.46 N ATOM 324 NH2 ARG A 132 -12.276 -8.219 -3.066 1.00 4.13 N ATOM 0 H ARG A 132 -10.033 -3.187 2.099 1.00 0.57 H new ATOM 0 HA ARG A 132 -12.003 -3.119 -0.073 1.00 0.63 H new ATOM 0 HB2 ARG A 132 -11.921 -4.388 2.677 1.00 0.85 H new ATOM 0 HB3 ARG A 132 -13.392 -4.305 1.728 1.00 0.85 H new ATOM 0 HG2 ARG A 132 -10.807 -5.659 0.877 1.00 1.32 H new ATOM 0 HG3 ARG A 132 -12.251 -6.472 1.447 1.00 1.32 H new ATOM 0 HD2 ARG A 132 -13.536 -5.514 -0.461 1.00 1.84 H new ATOM 0 HD3 ARG A 132 -12.084 -4.718 -1.034 1.00 1.84 H new ATOM 0 HE ARG A 132 -11.374 -7.415 -0.871 1.00 2.53 H new ATOM 0 HH11 ARG A 132 -13.886 -5.501 -2.442 1.00 3.46 H new ATOM 0 HH12 ARG A 132 -14.028 -6.588 -3.827 1.00 3.46 H new ATOM 0 HH21 ARG A 132 -11.552 -8.820 -2.673 1.00 4.13 H new ATOM 0 HH22 ARG A 132 -12.711 -8.460 -3.956 1.00 4.13 H new ATOM 338 N VAL A 133 -13.550 -1.405 0.794 1.00 0.60 N ATOM 339 CA VAL A 133 -14.260 -0.178 1.114 1.00 0.57 C ATOM 340 C VAL A 133 -15.524 -0.470 1.913 1.00 0.81 C ATOM 341 O VAL A 133 -16.437 -1.147 1.440 1.00 0.99 O ATOM 342 CB VAL A 133 -14.641 0.597 -0.170 1.00 0.62 C ATOM 343 CG1 VAL A 133 -15.472 1.827 0.153 1.00 0.81 C ATOM 344 CG2 VAL A 133 -13.400 1.006 -0.931 1.00 0.99 C ATOM 0 H VAL A 133 -13.885 -1.875 -0.047 1.00 0.60 H new ATOM 0 HA VAL A 133 -13.588 0.434 1.715 1.00 0.57 H new ATOM 0 HB VAL A 133 -15.239 -0.070 -0.791 1.00 0.62 H new ATOM 0 HG11 VAL A 133 -15.723 2.349 -0.770 1.00 0.81 H new ATOM 0 HG12 VAL A 133 -16.388 1.524 0.659 1.00 0.81 H new ATOM 0 HG13 VAL A 133 -14.901 2.491 0.802 1.00 0.81 H new ATOM 0 HG21 VAL A 133 -13.688 1.550 -1.831 1.00 0.99 H new ATOM 0 HG22 VAL A 133 -12.782 1.647 -0.302 1.00 0.99 H new ATOM 0 HG23 VAL A 133 -12.835 0.117 -1.210 1.00 0.99 H new ATOM 354 N GLY A 134 -15.541 0.030 3.145 1.00 0.96 N ATOM 355 CA GLY A 134 -16.709 -0.080 3.993 1.00 1.24 C ATOM 356 C GLY A 134 -17.401 1.244 4.164 1.00 1.32 C ATOM 357 O GLY A 134 -18.431 1.334 4.836 1.00 1.54 O ATOM 0 H GLY A 134 -14.753 0.516 3.574 1.00 0.96 H new ATOM 0 HA2 GLY A 134 -17.404 -0.801 3.562 1.00 1.24 H new ATOM 0 HA3 GLY A 134 -16.415 -0.465 4.969 1.00 1.24 H new ATOM 361 N VAL A 135 -16.838 2.279 3.565 1.00 1.26 N ATOM 362 CA VAL A 135 -17.387 3.603 3.709 1.00 1.46 C ATOM 363 C VAL A 135 -18.603 3.751 2.782 1.00 1.62 C ATOM 364 O VAL A 135 -19.053 2.759 2.205 1.00 2.18 O ATOM 365 CB VAL A 135 -16.304 4.668 3.428 1.00 1.46 C ATOM 366 CG1 VAL A 135 -15.951 4.710 1.953 1.00 1.28 C ATOM 367 CG2 VAL A 135 -16.705 6.046 3.946 1.00 1.79 C ATOM 0 H VAL A 135 -16.005 2.222 2.979 1.00 1.26 H new ATOM 0 HA VAL A 135 -17.724 3.757 4.734 1.00 1.46 H new ATOM 0 HB VAL A 135 -15.411 4.373 3.979 1.00 1.46 H new ATOM 0 HG11 VAL A 135 -15.186 5.468 1.783 1.00 1.28 H new ATOM 0 HG12 VAL A 135 -15.572 3.737 1.642 1.00 1.28 H new ATOM 0 HG13 VAL A 135 -16.841 4.956 1.373 1.00 1.28 H new ATOM 0 HG21 VAL A 135 -15.913 6.762 3.726 1.00 1.79 H new ATOM 0 HG22 VAL A 135 -17.627 6.364 3.459 1.00 1.79 H new ATOM 0 HG23 VAL A 135 -16.862 5.998 5.024 1.00 1.79 H new ATOM 377 N GLY A 136 -19.146 4.957 2.656 1.00 1.55 N ATOM 378 CA GLY A 136 -20.289 5.168 1.785 1.00 1.67 C ATOM 379 C GLY A 136 -19.938 4.999 0.317 1.00 1.53 C ATOM 380 O GLY A 136 -19.626 3.894 -0.128 1.00 1.55 O ATOM 0 H GLY A 136 -18.816 5.792 3.141 1.00 1.55 H new ATOM 0 HA2 GLY A 136 -21.079 4.465 2.050 1.00 1.67 H new ATOM 0 HA3 GLY A 136 -20.686 6.170 1.948 1.00 1.67 H new ATOM 384 N PRO A 137 -19.991 6.074 -0.477 1.00 1.48 N ATOM 385 CA PRO A 137 -19.599 6.026 -1.874 1.00 1.43 C ATOM 386 C PRO A 137 -18.092 6.064 -2.001 1.00 1.16 C ATOM 387 O PRO A 137 -17.407 6.685 -1.188 1.00 1.06 O ATOM 388 CB PRO A 137 -20.241 7.286 -2.485 1.00 1.57 C ATOM 389 CG PRO A 137 -20.980 7.956 -1.366 1.00 1.71 C ATOM 390 CD PRO A 137 -20.385 7.429 -0.093 1.00 1.57 C ATOM 0 HA PRO A 137 -19.921 5.114 -2.376 1.00 1.43 H new ATOM 0 HB2 PRO A 137 -19.482 7.947 -2.903 1.00 1.57 H new ATOM 0 HB3 PRO A 137 -20.918 7.024 -3.298 1.00 1.57 H new ATOM 0 HG2 PRO A 137 -20.875 9.039 -1.425 1.00 1.71 H new ATOM 0 HG3 PRO A 137 -22.046 7.736 -1.417 1.00 1.71 H new ATOM 0 HD2 PRO A 137 -19.533 8.024 0.235 1.00 1.57 H new ATOM 0 HD3 PRO A 137 -21.106 7.428 0.724 1.00 1.57 H new ATOM 398 N LEU A 138 -17.575 5.378 -2.996 1.00 1.15 N ATOM 399 CA LEU A 138 -16.176 5.415 -3.274 1.00 0.96 C ATOM 400 C LEU A 138 -15.839 6.732 -3.943 1.00 0.97 C ATOM 401 O LEU A 138 -16.284 7.028 -5.052 1.00 1.14 O ATOM 402 CB LEU A 138 -15.857 4.237 -4.176 1.00 1.06 C ATOM 403 CG LEU A 138 -14.448 4.197 -4.753 1.00 0.85 C ATOM 404 CD1 LEU A 138 -13.523 3.439 -3.819 1.00 0.80 C ATOM 405 CD2 LEU A 138 -14.465 3.565 -6.130 1.00 1.69 C ATOM 0 H LEU A 138 -18.117 4.786 -3.625 1.00 1.15 H new ATOM 0 HA LEU A 138 -15.582 5.342 -2.363 1.00 0.96 H new ATOM 0 HB2 LEU A 138 -16.023 3.319 -3.613 1.00 1.06 H new ATOM 0 HB3 LEU A 138 -16.567 4.236 -5.003 1.00 1.06 H new ATOM 0 HG LEU A 138 -14.074 5.216 -4.851 1.00 0.85 H new ATOM 0 HD11 LEU A 138 -12.518 3.416 -4.241 1.00 0.80 H new ATOM 0 HD12 LEU A 138 -13.498 3.936 -2.849 1.00 0.80 H new ATOM 0 HD13 LEU A 138 -13.887 2.419 -3.695 1.00 0.80 H new ATOM 0 HD21 LEU A 138 -13.452 3.542 -6.532 1.00 1.69 H new ATOM 0 HD22 LEU A 138 -14.850 2.548 -6.059 1.00 1.69 H new ATOM 0 HD23 LEU A 138 -15.105 4.150 -6.791 1.00 1.69 H new ATOM 417 N GLN A 139 -15.063 7.514 -3.240 1.00 0.83 N ATOM 418 CA GLN A 139 -14.621 8.802 -3.707 1.00 0.88 C ATOM 419 C GLN A 139 -13.111 8.831 -3.710 1.00 0.75 C ATOM 420 O GLN A 139 -12.476 8.068 -2.997 1.00 0.66 O ATOM 421 CB GLN A 139 -15.192 9.918 -2.829 1.00 0.96 C ATOM 422 CG GLN A 139 -14.653 9.930 -1.413 1.00 0.86 C ATOM 423 CD GLN A 139 -15.147 8.767 -0.552 1.00 0.89 C ATOM 424 OE1 GLN A 139 -16.178 8.873 0.106 1.00 1.11 O ATOM 425 NE2 GLN A 139 -14.427 7.645 -0.555 1.00 0.93 N ATOM 0 H GLN A 139 -14.715 7.271 -2.313 1.00 0.83 H new ATOM 0 HA GLN A 139 -14.983 8.968 -4.722 1.00 0.88 H new ATOM 0 HB2 GLN A 139 -14.977 10.879 -3.296 1.00 0.96 H new ATOM 0 HB3 GLN A 139 -16.277 9.817 -2.792 1.00 0.96 H new ATOM 0 HG2 GLN A 139 -13.564 9.905 -1.449 1.00 0.86 H new ATOM 0 HG3 GLN A 139 -14.935 10.868 -0.935 1.00 0.86 H new ATOM 0 HE21 GLN A 139 -13.575 7.588 -1.112 1.00 0.93 H new ATOM 0 HE22 GLN A 139 -14.729 6.844 -0.000 1.00 0.93 H new ATOM 434 N LEU A 140 -12.564 9.733 -4.513 1.00 0.83 N ATOM 435 CA LEU A 140 -11.123 9.835 -4.762 1.00 0.79 C ATOM 436 C LEU A 140 -10.290 9.897 -3.477 1.00 0.65 C ATOM 437 O LEU A 140 -9.088 9.633 -3.499 1.00 0.70 O ATOM 438 CB LEU A 140 -10.793 11.012 -5.717 1.00 0.98 C ATOM 439 CG LEU A 140 -10.944 12.453 -5.192 1.00 1.73 C ATOM 440 CD1 LEU A 140 -12.200 12.592 -4.373 1.00 2.38 C ATOM 441 CD2 LEU A 140 -9.721 12.891 -4.396 1.00 2.60 C ATOM 0 H LEU A 140 -13.113 10.427 -5.020 1.00 0.83 H new ATOM 0 HA LEU A 140 -10.835 8.909 -5.260 1.00 0.79 H new ATOM 0 HB2 LEU A 140 -9.763 10.888 -6.052 1.00 0.98 H new ATOM 0 HB3 LEU A 140 -11.428 10.912 -6.597 1.00 0.98 H new ATOM 0 HG LEU A 140 -11.023 13.114 -6.055 1.00 1.73 H new ATOM 0 HD11 LEU A 140 -12.287 13.617 -4.012 1.00 2.38 H new ATOM 0 HD12 LEU A 140 -13.065 12.350 -4.990 1.00 2.38 H new ATOM 0 HD13 LEU A 140 -12.158 11.910 -3.523 1.00 2.38 H new ATOM 0 HD21 LEU A 140 -9.864 13.912 -4.042 1.00 2.60 H new ATOM 0 HD22 LEU A 140 -9.585 12.227 -3.543 1.00 2.60 H new ATOM 0 HD23 LEU A 140 -8.838 12.848 -5.033 1.00 2.60 H new ATOM 453 N GLU A 141 -10.924 10.279 -2.379 1.00 0.63 N ATOM 454 CA GLU A 141 -10.258 10.397 -1.091 1.00 0.64 C ATOM 455 C GLU A 141 -9.930 9.035 -0.486 1.00 0.59 C ATOM 456 O GLU A 141 -9.302 8.952 0.573 1.00 0.70 O ATOM 457 CB GLU A 141 -11.125 11.152 -0.113 1.00 0.78 C ATOM 458 CG GLU A 141 -12.174 10.287 0.518 1.00 1.06 C ATOM 459 CD GLU A 141 -12.970 10.997 1.597 1.00 1.78 C ATOM 460 OE1 GLU A 141 -12.676 10.783 2.792 1.00 2.58 O ATOM 461 OE2 GLU A 141 -13.892 11.769 1.259 1.00 2.05 O ATOM 0 H GLU A 141 -11.916 10.516 -2.356 1.00 0.63 H new ATOM 0 HA GLU A 141 -9.328 10.936 -1.272 1.00 0.64 H new ATOM 0 HB2 GLU A 141 -10.496 11.581 0.667 1.00 0.78 H new ATOM 0 HB3 GLU A 141 -11.607 11.983 -0.628 1.00 0.78 H new ATOM 0 HG2 GLU A 141 -12.857 9.935 -0.255 1.00 1.06 H new ATOM 0 HG3 GLU A 141 -11.698 9.406 0.948 1.00 1.06 H new ATOM 468 N ASP A 142 -10.337 7.977 -1.162 1.00 0.51 N ATOM 469 CA ASP A 142 -10.438 6.678 -0.551 1.00 0.51 C ATOM 470 C ASP A 142 -9.088 5.995 -0.408 1.00 0.50 C ATOM 471 O ASP A 142 -8.960 5.041 0.361 1.00 0.56 O ATOM 472 CB ASP A 142 -11.305 5.806 -1.447 1.00 0.57 C ATOM 473 CG ASP A 142 -10.616 5.462 -2.767 1.00 1.64 C ATOM 474 OD1 ASP A 142 -10.481 4.267 -3.075 1.00 2.37 O ATOM 475 OD2 ASP A 142 -10.191 6.395 -3.492 1.00 2.39 O ATOM 0 H ASP A 142 -10.604 8.000 -2.146 1.00 0.51 H new ATOM 0 HA ASP A 142 -10.859 6.808 0.446 1.00 0.51 H new ATOM 0 HB2 ASP A 142 -11.556 4.885 -0.920 1.00 0.57 H new ATOM 0 HB3 ASP A 142 -12.243 6.321 -1.653 1.00 0.57 H new ATOM 480 N VAL A 143 -8.080 6.486 -1.110 1.00 0.49 N ATOM 481 CA VAL A 143 -6.706 6.189 -0.758 1.00 0.47 C ATOM 482 C VAL A 143 -5.887 7.466 -0.682 1.00 0.47 C ATOM 483 O VAL A 143 -5.799 8.206 -1.666 1.00 0.59 O ATOM 484 CB VAL A 143 -6.017 5.184 -1.701 1.00 0.55 C ATOM 485 CG1 VAL A 143 -4.666 4.776 -1.132 1.00 0.53 C ATOM 486 CG2 VAL A 143 -6.880 3.958 -1.902 1.00 0.65 C ATOM 0 H VAL A 143 -8.189 7.090 -1.924 1.00 0.49 H new ATOM 0 HA VAL A 143 -6.752 5.711 0.220 1.00 0.47 H new ATOM 0 HB VAL A 143 -5.870 5.667 -2.667 1.00 0.55 H new ATOM 0 HG11 VAL A 143 -4.187 4.066 -1.806 1.00 0.53 H new ATOM 0 HG12 VAL A 143 -4.034 5.658 -1.026 1.00 0.53 H new ATOM 0 HG13 VAL A 143 -4.807 4.312 -0.156 1.00 0.53 H new ATOM 0 HG21 VAL A 143 -6.374 3.262 -2.571 1.00 0.65 H new ATOM 0 HG22 VAL A 143 -7.055 3.475 -0.941 1.00 0.65 H new ATOM 0 HG23 VAL A 143 -7.834 4.252 -2.339 1.00 0.65 H new ATOM 496 N ASP A 144 -5.294 7.739 0.463 1.00 0.40 N ATOM 497 CA ASP A 144 -4.301 8.792 0.536 1.00 0.41 C ATOM 498 C ASP A 144 -2.943 8.159 0.778 1.00 0.33 C ATOM 499 O ASP A 144 -2.635 7.720 1.877 1.00 0.33 O ATOM 500 CB ASP A 144 -4.628 9.807 1.629 1.00 0.47 C ATOM 501 CG ASP A 144 -3.738 11.033 1.571 1.00 0.91 C ATOM 502 OD1 ASP A 144 -3.966 11.904 0.709 1.00 1.11 O ATOM 503 OD2 ASP A 144 -2.789 11.118 2.380 1.00 1.52 O ATOM 0 H ASP A 144 -5.478 7.256 1.342 1.00 0.40 H new ATOM 0 HA ASP A 144 -4.296 9.339 -0.407 1.00 0.41 H new ATOM 0 HB2 ASP A 144 -5.670 10.114 1.535 1.00 0.47 H new ATOM 0 HB3 ASP A 144 -4.523 9.332 2.604 1.00 0.47 H new ATOM 508 N ALA A 145 -2.141 8.077 -0.256 1.00 0.38 N ATOM 509 CA ALA A 145 -0.857 7.425 -0.144 1.00 0.36 C ATOM 510 C ALA A 145 0.259 8.456 -0.190 1.00 0.39 C ATOM 511 O ALA A 145 0.373 9.200 -1.163 1.00 0.47 O ATOM 512 CB ALA A 145 -0.690 6.396 -1.255 1.00 0.48 C ATOM 0 H ALA A 145 -2.352 8.451 -1.181 1.00 0.38 H new ATOM 0 HA ALA A 145 -0.805 6.906 0.813 1.00 0.36 H new ATOM 0 HB1 ALA A 145 0.282 5.912 -1.159 1.00 0.48 H new ATOM 0 HB2 ALA A 145 -1.478 5.647 -1.178 1.00 0.48 H new ATOM 0 HB3 ALA A 145 -0.754 6.892 -2.223 1.00 0.48 H new ATOM 518 N ALA A 146 1.086 8.504 0.846 1.00 0.38 N ATOM 519 CA ALA A 146 2.178 9.470 0.885 1.00 0.49 C ATOM 520 C ALA A 146 3.500 8.751 0.737 1.00 0.48 C ATOM 521 O ALA A 146 3.822 7.889 1.539 1.00 0.66 O ATOM 522 CB ALA A 146 2.153 10.258 2.186 1.00 0.56 C ATOM 0 H ALA A 146 1.024 7.894 1.661 1.00 0.38 H new ATOM 0 HA ALA A 146 2.055 10.171 0.059 1.00 0.49 H new ATOM 0 HB1 ALA A 146 2.976 10.973 2.194 1.00 0.56 H new ATOM 0 HB2 ALA A 146 1.207 10.793 2.269 1.00 0.56 H new ATOM 0 HB3 ALA A 146 2.258 9.574 3.028 1.00 0.56 H new ATOM 528 N PHE A 147 4.270 9.078 -0.279 1.00 0.57 N ATOM 529 CA PHE A 147 5.487 8.353 -0.515 1.00 0.59 C ATOM 530 C PHE A 147 6.696 9.271 -0.509 1.00 0.68 C ATOM 531 O PHE A 147 6.694 10.348 -1.111 1.00 0.94 O ATOM 532 CB PHE A 147 5.376 7.563 -1.813 1.00 0.82 C ATOM 533 CG PHE A 147 5.816 6.154 -1.642 1.00 2.08 C ATOM 534 CD1 PHE A 147 7.116 5.893 -1.290 1.00 2.46 C ATOM 535 CD2 PHE A 147 4.936 5.099 -1.821 1.00 3.01 C ATOM 536 CE1 PHE A 147 7.553 4.594 -1.116 1.00 3.72 C ATOM 537 CE2 PHE A 147 5.361 3.795 -1.651 1.00 4.26 C ATOM 538 CZ PHE A 147 6.675 3.541 -1.298 1.00 4.62 C ATOM 0 H PHE A 147 4.075 9.829 -0.941 1.00 0.57 H new ATOM 0 HA PHE A 147 5.635 7.647 0.302 1.00 0.59 H new ATOM 0 HB2 PHE A 147 4.344 7.581 -2.162 1.00 0.82 H new ATOM 0 HB3 PHE A 147 5.981 8.042 -2.583 1.00 0.82 H new ATOM 0 HD1 PHE A 147 7.805 6.712 -1.147 1.00 2.46 H new ATOM 0 HD2 PHE A 147 3.910 5.297 -2.095 1.00 3.01 H new ATOM 0 HE1 PHE A 147 8.579 4.401 -0.838 1.00 3.72 H new ATOM 0 HE2 PHE A 147 4.670 2.977 -1.793 1.00 4.26 H new ATOM 0 HZ PHE A 147 7.014 2.524 -1.165 1.00 4.62 H new ATOM 548 N THR A 148 7.703 8.840 0.224 1.00 0.54 N ATOM 549 CA THR A 148 8.943 9.563 0.366 1.00 0.64 C ATOM 550 C THR A 148 10.095 8.674 -0.040 1.00 0.71 C ATOM 551 O THR A 148 9.913 7.463 -0.170 1.00 0.74 O ATOM 552 CB THR A 148 9.172 9.958 1.817 1.00 0.56 C ATOM 553 OG1 THR A 148 7.934 10.352 2.433 1.00 0.65 O ATOM 554 CG2 THR A 148 10.170 11.085 1.898 1.00 0.81 C ATOM 0 H THR A 148 7.679 7.963 0.745 1.00 0.54 H new ATOM 0 HA THR A 148 8.886 10.452 -0.262 1.00 0.64 H new ATOM 0 HB THR A 148 9.568 9.095 2.352 1.00 0.56 H new ATOM 0 HG1 THR A 148 7.603 9.623 2.998 1.00 0.65 H new ATOM 0 HG21 THR A 148 10.326 11.359 2.941 1.00 0.81 H new ATOM 0 HG22 THR A 148 11.116 10.765 1.462 1.00 0.81 H new ATOM 0 HG23 THR A 148 9.791 11.947 1.349 1.00 0.81 H new ATOM 562 N ASP A 149 11.285 9.248 -0.155 1.00 0.84 N ATOM 563 CA ASP A 149 12.443 8.497 -0.585 1.00 0.98 C ATOM 564 C ASP A 149 12.743 7.420 0.418 1.00 0.79 C ATOM 565 O ASP A 149 13.384 6.417 0.119 1.00 0.92 O ATOM 566 CB ASP A 149 13.683 9.385 -0.756 1.00 1.23 C ATOM 567 CG ASP A 149 13.491 10.516 -1.741 1.00 1.87 C ATOM 568 OD1 ASP A 149 13.016 11.597 -1.339 1.00 2.28 O ATOM 569 OD2 ASP A 149 13.782 10.310 -2.938 1.00 2.17 O ATOM 0 H ASP A 149 11.468 10.231 0.045 1.00 0.84 H new ATOM 0 HA ASP A 149 12.208 8.063 -1.557 1.00 0.98 H new ATOM 0 HB2 ASP A 149 13.957 9.802 0.213 1.00 1.23 H new ATOM 0 HB3 ASP A 149 14.519 8.767 -1.085 1.00 1.23 H new ATOM 574 N THR A 150 12.272 7.631 1.623 1.00 0.56 N ATOM 575 CA THR A 150 12.595 6.736 2.683 1.00 0.54 C ATOM 576 C THR A 150 11.363 6.303 3.482 1.00 0.64 C ATOM 577 O THR A 150 11.488 5.679 4.528 1.00 0.88 O ATOM 578 CB THR A 150 13.685 7.332 3.595 1.00 0.53 C ATOM 579 OG1 THR A 150 13.192 8.499 4.270 1.00 0.67 O ATOM 580 CG2 THR A 150 14.908 7.712 2.771 1.00 0.59 C ATOM 0 H THR A 150 11.669 8.411 1.883 1.00 0.56 H new ATOM 0 HA THR A 150 12.996 5.831 2.226 1.00 0.54 H new ATOM 0 HB THR A 150 13.961 6.579 4.333 1.00 0.53 H new ATOM 0 HG1 THR A 150 13.895 8.865 4.847 1.00 0.67 H new ATOM 0 HG21 THR A 150 15.672 8.132 3.426 1.00 0.59 H new ATOM 0 HG22 THR A 150 15.303 6.825 2.275 1.00 0.59 H new ATOM 0 HG23 THR A 150 14.626 8.451 2.021 1.00 0.59 H new ATOM 588 N ASP A 151 10.162 6.633 3.020 1.00 0.55 N ATOM 589 CA ASP A 151 8.968 6.155 3.724 1.00 0.63 C ATOM 590 C ASP A 151 7.727 6.224 2.861 1.00 0.57 C ATOM 591 O ASP A 151 7.732 6.854 1.818 1.00 0.54 O ATOM 592 CB ASP A 151 8.736 6.920 5.037 1.00 0.71 C ATOM 593 CG ASP A 151 8.532 8.409 4.834 1.00 0.79 C ATOM 594 OD1 ASP A 151 9.519 9.174 4.917 1.00 0.97 O ATOM 595 OD2 ASP A 151 7.383 8.825 4.578 1.00 1.00 O ATOM 0 H ASP A 151 9.987 7.206 2.195 1.00 0.55 H new ATOM 0 HA ASP A 151 9.157 5.108 3.961 1.00 0.63 H new ATOM 0 HB2 ASP A 151 7.863 6.506 5.542 1.00 0.71 H new ATOM 0 HB3 ASP A 151 9.590 6.764 5.697 1.00 0.71 H new ATOM 600 N CYS A 152 6.669 5.544 3.289 1.00 0.66 N ATOM 601 CA CYS A 152 5.421 5.559 2.560 1.00 0.61 C ATOM 602 C CYS A 152 4.207 5.400 3.461 1.00 0.63 C ATOM 603 O CYS A 152 4.291 4.877 4.571 1.00 0.85 O ATOM 604 CB CYS A 152 5.419 4.464 1.512 1.00 0.97 C ATOM 605 SG CYS A 152 5.989 2.854 2.095 1.00 1.56 S ATOM 0 H CYS A 152 6.658 4.978 4.137 1.00 0.66 H new ATOM 0 HA CYS A 152 5.347 6.538 2.086 1.00 0.61 H new ATOM 0 HB2 CYS A 152 4.407 4.356 1.123 1.00 0.97 H new ATOM 0 HB3 CYS A 152 6.049 4.777 0.679 1.00 0.97 H new ATOM 0 HG CYS A 152 5.944 1.998 1.118 1.00 1.56 H new ATOM 611 N VAL A 153 3.082 5.854 2.936 1.00 0.49 N ATOM 612 CA VAL A 153 1.806 5.832 3.607 1.00 0.43 C ATOM 613 C VAL A 153 0.748 5.324 2.673 1.00 0.37 C ATOM 614 O VAL A 153 0.700 5.674 1.500 1.00 0.37 O ATOM 615 CB VAL A 153 1.421 7.239 4.118 1.00 0.43 C ATOM 616 CG1 VAL A 153 -0.089 7.422 4.215 1.00 0.41 C ATOM 617 CG2 VAL A 153 2.082 7.520 5.459 1.00 0.60 C ATOM 0 H VAL A 153 3.037 6.260 2.001 1.00 0.49 H new ATOM 0 HA VAL A 153 1.885 5.166 4.466 1.00 0.43 H new ATOM 0 HB VAL A 153 1.787 7.960 3.387 1.00 0.43 H new ATOM 0 HG11 VAL A 153 -0.311 8.425 4.578 1.00 0.41 H new ATOM 0 HG12 VAL A 153 -0.536 7.285 3.230 1.00 0.41 H new ATOM 0 HG13 VAL A 153 -0.501 6.686 4.906 1.00 0.41 H new ATOM 0 HG21 VAL A 153 1.799 8.515 5.803 1.00 0.60 H new ATOM 0 HG22 VAL A 153 1.756 6.778 6.188 1.00 0.60 H new ATOM 0 HG23 VAL A 153 3.165 7.469 5.349 1.00 0.60 H new ATOM 627 N VAL A 154 -0.049 4.461 3.215 1.00 0.36 N ATOM 628 CA VAL A 154 -1.228 3.978 2.577 1.00 0.34 C ATOM 629 C VAL A 154 -2.397 4.383 3.430 1.00 0.28 C ATOM 630 O VAL A 154 -2.429 4.110 4.625 1.00 0.29 O ATOM 631 CB VAL A 154 -1.203 2.440 2.358 1.00 0.40 C ATOM 632 CG1 VAL A 154 -2.059 1.708 3.330 1.00 0.38 C ATOM 633 CG2 VAL A 154 -1.634 2.130 0.955 1.00 0.45 C ATOM 0 H VAL A 154 0.108 4.062 4.140 1.00 0.36 H new ATOM 0 HA VAL A 154 -1.303 4.413 1.580 1.00 0.34 H new ATOM 0 HB VAL A 154 -0.180 2.101 2.522 1.00 0.40 H new ATOM 0 HG11 VAL A 154 -2.003 0.638 3.130 1.00 0.38 H new ATOM 0 HG12 VAL A 154 -1.710 1.906 4.343 1.00 0.38 H new ATOM 0 HG13 VAL A 154 -3.092 2.043 3.230 1.00 0.38 H new ATOM 0 HG21 VAL A 154 -1.617 1.051 0.799 1.00 0.45 H new ATOM 0 HG22 VAL A 154 -2.645 2.504 0.794 1.00 0.45 H new ATOM 0 HG23 VAL A 154 -0.953 2.609 0.251 1.00 0.45 H new ATOM 643 N ARG A 155 -3.298 5.136 2.880 1.00 0.30 N ATOM 644 CA ARG A 155 -4.433 5.513 3.658 1.00 0.33 C ATOM 645 C ARG A 155 -5.742 5.152 2.991 1.00 0.45 C ATOM 646 O ARG A 155 -5.936 5.388 1.811 1.00 0.63 O ATOM 647 CB ARG A 155 -4.331 6.984 3.999 1.00 0.46 C ATOM 648 CG ARG A 155 -5.498 7.542 4.772 1.00 0.79 C ATOM 649 CD ARG A 155 -6.411 8.325 3.854 1.00 1.06 C ATOM 650 NE ARG A 155 -7.145 9.368 4.569 1.00 1.59 N ATOM 651 CZ ARG A 155 -7.811 10.356 3.972 1.00 1.99 C ATOM 652 NH1 ARG A 155 -7.929 10.391 2.650 1.00 2.40 N ATOM 653 NH2 ARG A 155 -8.377 11.304 4.700 1.00 2.42 N ATOM 0 H ARG A 155 -3.273 5.492 1.925 1.00 0.30 H new ATOM 0 HA ARG A 155 -4.430 4.941 4.586 1.00 0.33 H new ATOM 0 HB2 ARG A 155 -3.421 7.145 4.577 1.00 0.46 H new ATOM 0 HB3 ARG A 155 -4.224 7.549 3.073 1.00 0.46 H new ATOM 0 HG2 ARG A 155 -6.053 6.730 5.242 1.00 0.79 H new ATOM 0 HG3 ARG A 155 -5.137 8.187 5.573 1.00 0.79 H new ATOM 0 HD2 ARG A 155 -5.821 8.778 3.057 1.00 1.06 H new ATOM 0 HD3 ARG A 155 -7.118 7.645 3.380 1.00 1.06 H new ATOM 0 HE ARG A 155 -7.147 9.338 5.589 1.00 1.59 H new ATOM 0 HH11 ARG A 155 -7.508 9.657 2.081 1.00 2.40 H new ATOM 0 HH12 ARG A 155 -8.441 11.152 2.204 1.00 2.40 H new ATOM 0 HH21 ARG A 155 -8.303 11.278 5.717 1.00 2.42 H new ATOM 0 HH22 ARG A 155 -8.887 12.061 4.244 1.00 2.42 H new ATOM 667 N PHE A 156 -6.624 4.572 3.773 1.00 0.44 N ATOM 668 CA PHE A 156 -7.975 4.271 3.347 1.00 0.49 C ATOM 669 C PHE A 156 -8.879 5.469 3.626 1.00 0.57 C ATOM 670 O PHE A 156 -8.486 6.374 4.355 1.00 0.71 O ATOM 671 CB PHE A 156 -8.506 3.051 4.109 1.00 0.60 C ATOM 672 CG PHE A 156 -9.876 2.597 3.689 1.00 0.59 C ATOM 673 CD1 PHE A 156 -10.104 2.100 2.420 1.00 0.56 C ATOM 674 CD2 PHE A 156 -10.939 2.682 4.572 1.00 0.77 C ATOM 675 CE1 PHE A 156 -11.366 1.700 2.036 1.00 0.65 C ATOM 676 CE2 PHE A 156 -12.202 2.280 4.195 1.00 0.82 C ATOM 677 CZ PHE A 156 -12.417 1.790 2.925 1.00 0.72 C ATOM 0 H PHE A 156 -6.423 4.292 4.733 1.00 0.44 H new ATOM 0 HA PHE A 156 -7.969 4.055 2.279 1.00 0.49 H new ATOM 0 HB2 PHE A 156 -7.808 2.225 3.977 1.00 0.60 H new ATOM 0 HB3 PHE A 156 -8.526 3.285 5.174 1.00 0.60 H new ATOM 0 HD1 PHE A 156 -9.284 2.024 1.721 1.00 0.56 H new ATOM 0 HD2 PHE A 156 -10.776 3.068 5.568 1.00 0.77 H new ATOM 0 HE1 PHE A 156 -11.532 1.317 1.040 1.00 0.65 H new ATOM 0 HE2 PHE A 156 -13.022 2.349 4.894 1.00 0.82 H new ATOM 0 HZ PHE A 156 -13.407 1.477 2.626 1.00 0.72 H new ATOM 687 N ALA A 157 -10.090 5.464 3.077 1.00 0.57 N ATOM 688 CA ALA A 157 -11.046 6.547 3.302 1.00 0.65 C ATOM 689 C ALA A 157 -11.296 6.784 4.796 1.00 0.77 C ATOM 690 O ALA A 157 -11.728 7.867 5.192 1.00 0.95 O ATOM 691 CB ALA A 157 -12.351 6.251 2.588 1.00 0.71 C ATOM 0 H ALA A 157 -10.435 4.720 2.471 1.00 0.57 H new ATOM 0 HA ALA A 157 -10.614 7.460 2.893 1.00 0.65 H new ATOM 0 HB1 ALA A 157 -13.054 7.065 2.763 1.00 0.71 H new ATOM 0 HB2 ALA A 157 -12.167 6.155 1.518 1.00 0.71 H new ATOM 0 HB3 ALA A 157 -12.771 5.320 2.969 1.00 0.71 H new ATOM 697 N GLY A 158 -11.026 5.776 5.624 1.00 0.76 N ATOM 698 CA GLY A 158 -11.130 5.953 7.057 1.00 0.94 C ATOM 699 C GLY A 158 -10.640 4.752 7.845 1.00 0.91 C ATOM 700 O GLY A 158 -10.952 3.609 7.508 1.00 1.81 O ATOM 0 H GLY A 158 -10.738 4.844 5.326 1.00 0.76 H new ATOM 0 HA2 GLY A 158 -10.555 6.831 7.351 1.00 0.94 H new ATOM 0 HA3 GLY A 158 -12.170 6.151 7.318 1.00 0.94 H new ATOM 704 N GLY A 159 -9.860 5.018 8.889 1.00 0.72 N ATOM 705 CA GLY A 159 -9.399 3.968 9.787 1.00 0.81 C ATOM 706 C GLY A 159 -8.226 3.173 9.238 1.00 0.60 C ATOM 707 O GLY A 159 -7.116 3.238 9.767 1.00 0.78 O ATOM 0 H GLY A 159 -9.535 5.953 9.133 1.00 0.72 H new ATOM 0 HA2 GLY A 159 -9.111 4.415 10.739 1.00 0.81 H new ATOM 0 HA3 GLY A 159 -10.225 3.287 9.992 1.00 0.81 H new ATOM 711 N GLN A 160 -8.480 2.435 8.172 1.00 0.50 N ATOM 712 CA GLN A 160 -7.508 1.566 7.559 1.00 0.47 C ATOM 713 C GLN A 160 -6.385 2.366 6.899 1.00 0.40 C ATOM 714 O GLN A 160 -6.596 3.113 5.970 1.00 0.56 O ATOM 715 CB GLN A 160 -8.268 0.686 6.598 1.00 0.71 C ATOM 716 CG GLN A 160 -7.425 0.085 5.526 1.00 0.64 C ATOM 717 CD GLN A 160 -8.232 -0.785 4.578 1.00 1.08 C ATOM 718 OE1 GLN A 160 -7.712 -1.727 3.991 1.00 1.43 O ATOM 719 NE2 GLN A 160 -9.519 -0.497 4.451 1.00 2.02 N ATOM 0 H GLN A 160 -9.386 2.427 7.704 1.00 0.50 H new ATOM 0 HA GLN A 160 -7.000 0.944 8.296 1.00 0.47 H new ATOM 0 HB2 GLN A 160 -8.749 -0.115 7.159 1.00 0.71 H new ATOM 0 HB3 GLN A 160 -9.062 1.272 6.135 1.00 0.71 H new ATOM 0 HG2 GLN A 160 -6.938 0.880 4.961 1.00 0.64 H new ATOM 0 HG3 GLN A 160 -6.635 -0.513 5.980 1.00 0.64 H new ATOM 0 HE21 GLN A 160 -9.917 0.295 4.956 1.00 2.02 H new ATOM 0 HE22 GLN A 160 -10.112 -1.068 3.849 1.00 2.02 H new ATOM 728 N GLN A 161 -5.201 2.272 7.451 1.00 0.38 N ATOM 729 CA GLN A 161 -4.049 2.944 6.893 1.00 0.34 C ATOM 730 C GLN A 161 -2.772 2.217 7.291 1.00 0.39 C ATOM 731 O GLN A 161 -2.658 1.685 8.397 1.00 0.46 O ATOM 732 CB GLN A 161 -4.030 4.424 7.265 1.00 0.35 C ATOM 733 CG GLN A 161 -4.164 4.698 8.753 1.00 1.08 C ATOM 734 CD GLN A 161 -3.964 6.161 9.098 1.00 1.12 C ATOM 735 OE1 GLN A 161 -4.563 6.672 10.043 1.00 1.77 O ATOM 736 NE2 GLN A 161 -3.105 6.838 8.351 1.00 1.46 N ATOM 0 H GLN A 161 -5.007 1.732 8.294 1.00 0.38 H new ATOM 0 HA GLN A 161 -4.115 2.911 5.806 1.00 0.34 H new ATOM 0 HB2 GLN A 161 -3.098 4.864 6.909 1.00 0.35 H new ATOM 0 HB3 GLN A 161 -4.841 4.929 6.740 1.00 0.35 H new ATOM 0 HG2 GLN A 161 -5.151 4.381 9.089 1.00 1.08 H new ATOM 0 HG3 GLN A 161 -3.434 4.098 9.296 1.00 1.08 H new ATOM 0 HE21 GLN A 161 -2.629 6.376 7.576 1.00 1.46 H new ATOM 0 HE22 GLN A 161 -2.920 7.821 8.551 1.00 1.46 H new ATOM 745 N TRP A 162 -1.838 2.189 6.364 1.00 0.39 N ATOM 746 CA TRP A 162 -0.682 1.316 6.403 1.00 0.47 C ATOM 747 C TRP A 162 0.462 2.067 5.795 1.00 0.50 C ATOM 748 O TRP A 162 0.283 3.182 5.339 1.00 0.47 O ATOM 749 CB TRP A 162 -0.938 0.038 5.620 1.00 0.50 C ATOM 750 CG TRP A 162 -2.308 -0.534 5.876 1.00 0.47 C ATOM 751 CD1 TRP A 162 -3.501 -0.078 5.367 1.00 0.43 C ATOM 752 CD2 TRP A 162 -2.630 -1.644 6.722 1.00 0.53 C ATOM 753 NE1 TRP A 162 -4.539 -0.823 5.875 1.00 0.47 N ATOM 754 CE2 TRP A 162 -4.028 -1.800 6.692 1.00 0.52 C ATOM 755 CE3 TRP A 162 -1.870 -2.519 7.504 1.00 0.62 C ATOM 756 CZ2 TRP A 162 -4.681 -2.796 7.417 1.00 0.60 C ATOM 757 CZ3 TRP A 162 -2.519 -3.507 8.220 1.00 0.68 C ATOM 758 CH2 TRP A 162 -3.911 -3.640 8.171 1.00 0.67 C ATOM 0 H TRP A 162 -1.862 2.789 5.540 1.00 0.39 H new ATOM 0 HA TRP A 162 -0.463 1.030 7.432 1.00 0.47 H new ATOM 0 HB2 TRP A 162 -0.826 0.240 4.555 1.00 0.50 H new ATOM 0 HB3 TRP A 162 -0.184 -0.703 5.885 1.00 0.50 H new ATOM 0 HD1 TRP A 162 -3.607 0.742 4.672 1.00 0.43 H new ATOM 0 HE1 TRP A 162 -5.528 -0.674 5.677 1.00 0.47 H new ATOM 0 HE3 TRP A 162 -0.795 -2.425 7.548 1.00 0.62 H new ATOM 0 HZ2 TRP A 162 -5.756 -2.898 7.385 1.00 0.60 H new ATOM 0 HZ3 TRP A 162 -1.942 -4.188 8.828 1.00 0.68 H new ATOM 0 HH2 TRP A 162 -4.388 -4.425 8.740 1.00 0.67 H new ATOM 769 N GLY A 163 1.638 1.526 5.861 1.00 0.58 N ATOM 770 CA GLY A 163 2.743 2.188 5.246 1.00 0.63 C ATOM 771 C GLY A 163 3.997 1.355 5.275 1.00 0.62 C ATOM 772 O GLY A 163 3.966 0.185 5.629 1.00 0.63 O ATOM 0 H GLY A 163 1.855 0.644 6.325 1.00 0.58 H new ATOM 0 HA2 GLY A 163 2.492 2.426 4.212 1.00 0.63 H new ATOM 0 HA3 GLY A 163 2.926 3.134 5.755 1.00 0.63 H new ATOM 776 N GLY A 164 5.101 1.967 4.928 1.00 0.66 N ATOM 777 CA GLY A 164 6.366 1.277 4.905 1.00 0.66 C ATOM 778 C GLY A 164 7.499 2.240 5.085 1.00 0.63 C ATOM 779 O GLY A 164 7.305 3.453 5.020 1.00 0.69 O ATOM 0 H GLY A 164 5.149 2.949 4.656 1.00 0.66 H new ATOM 0 HA2 GLY A 164 6.391 0.527 5.696 1.00 0.66 H new ATOM 0 HA3 GLY A 164 6.480 0.747 3.959 1.00 0.66 H new ATOM 783 N VAL A 165 8.674 1.714 5.332 1.00 0.61 N ATOM 784 CA VAL A 165 9.782 2.538 5.684 1.00 0.59 C ATOM 785 C VAL A 165 11.037 2.062 4.959 1.00 0.60 C ATOM 786 O VAL A 165 11.307 0.863 4.866 1.00 0.78 O ATOM 787 CB VAL A 165 9.962 2.556 7.217 1.00 0.73 C ATOM 788 CG1 VAL A 165 10.409 1.199 7.747 1.00 0.96 C ATOM 789 CG2 VAL A 165 10.922 3.658 7.645 1.00 0.88 C ATOM 0 H VAL A 165 8.878 0.715 5.293 1.00 0.61 H new ATOM 0 HA VAL A 165 9.593 3.564 5.368 1.00 0.59 H new ATOM 0 HB VAL A 165 8.988 2.771 7.657 1.00 0.73 H new ATOM 0 HG11 VAL A 165 10.525 1.251 8.830 1.00 0.96 H new ATOM 0 HG12 VAL A 165 9.661 0.447 7.498 1.00 0.96 H new ATOM 0 HG13 VAL A 165 11.362 0.927 7.293 1.00 0.96 H new ATOM 0 HG21 VAL A 165 11.029 3.646 8.730 1.00 0.88 H new ATOM 0 HG22 VAL A 165 11.895 3.493 7.183 1.00 0.88 H new ATOM 0 HG23 VAL A 165 10.530 4.625 7.330 1.00 0.88 H new ATOM 799 N PHE A 166 11.756 3.005 4.406 1.00 0.55 N ATOM 800 CA PHE A 166 12.967 2.759 3.687 1.00 0.61 C ATOM 801 C PHE A 166 14.043 3.636 4.291 1.00 0.61 C ATOM 802 O PHE A 166 13.754 4.626 4.951 1.00 0.84 O ATOM 803 CB PHE A 166 12.754 3.102 2.213 1.00 1.00 C ATOM 804 CG PHE A 166 11.888 2.115 1.482 1.00 1.66 C ATOM 805 CD1 PHE A 166 12.398 0.892 1.077 1.00 1.99 C ATOM 806 CD2 PHE A 166 10.565 2.414 1.197 1.00 2.17 C ATOM 807 CE1 PHE A 166 11.604 -0.015 0.402 1.00 2.71 C ATOM 808 CE2 PHE A 166 9.766 1.510 0.522 1.00 2.96 C ATOM 809 CZ PHE A 166 10.287 0.295 0.123 1.00 3.19 C ATOM 0 H PHE A 166 11.502 3.992 4.448 1.00 0.55 H new ATOM 0 HA PHE A 166 13.263 1.712 3.754 1.00 0.61 H new ATOM 0 HB2 PHE A 166 12.302 4.091 2.141 1.00 1.00 H new ATOM 0 HB3 PHE A 166 13.724 3.157 1.718 1.00 1.00 H new ATOM 0 HD1 PHE A 166 13.427 0.645 1.291 1.00 1.99 H new ATOM 0 HD2 PHE A 166 10.154 3.364 1.506 1.00 2.17 H new ATOM 0 HE1 PHE A 166 12.013 -0.966 0.093 1.00 2.71 H new ATOM 0 HE2 PHE A 166 8.736 1.754 0.307 1.00 2.96 H new ATOM 0 HZ PHE A 166 9.666 -0.412 -0.407 1.00 3.19 H new ATOM 819 N TYR A 167 15.275 3.271 4.110 1.00 0.74 N ATOM 820 CA TYR A 167 16.350 4.081 4.639 1.00 1.06 C ATOM 821 C TYR A 167 16.905 4.995 3.582 1.00 0.98 C ATOM 822 O TYR A 167 17.643 5.932 3.894 1.00 1.22 O ATOM 823 CB TYR A 167 17.449 3.229 5.294 1.00 1.45 C ATOM 824 CG TYR A 167 18.221 2.322 4.357 1.00 2.10 C ATOM 825 CD1 TYR A 167 17.737 1.059 4.034 1.00 2.48 C ATOM 826 CD2 TYR A 167 19.413 2.735 3.775 1.00 2.87 C ATOM 827 CE1 TYR A 167 18.418 0.235 3.161 1.00 3.52 C ATOM 828 CE2 TYR A 167 20.102 1.914 2.902 1.00 3.88 C ATOM 829 CZ TYR A 167 19.674 0.651 2.673 1.00 4.19 C ATOM 830 OH TYR A 167 20.273 -0.155 1.722 1.00 5.30 O ATOM 0 H TYR A 167 15.568 2.432 3.609 1.00 0.74 H new ATOM 0 HA TYR A 167 15.931 4.704 5.429 1.00 1.06 H new ATOM 0 HB2 TYR A 167 18.155 3.896 5.788 1.00 1.45 H new ATOM 0 HB3 TYR A 167 16.993 2.615 6.071 1.00 1.45 H new ATOM 0 HD1 TYR A 167 16.812 0.717 4.474 1.00 2.48 H new ATOM 0 HD2 TYR A 167 19.808 3.713 4.008 1.00 2.87 H new ATOM 0 HE1 TYR A 167 17.996 -0.712 2.857 1.00 3.52 H new ATOM 0 HE2 TYR A 167 20.985 2.282 2.401 1.00 3.88 H new ATOM 0 HH TYR A 167 21.134 0.233 1.460 1.00 5.30 H new ATOM 840 N ALA A 168 16.544 4.744 2.338 1.00 0.72 N ATOM 841 CA ALA A 168 17.192 5.420 1.261 1.00 0.72 C ATOM 842 C ALA A 168 16.418 5.322 -0.034 1.00 0.54 C ATOM 843 O ALA A 168 15.547 4.467 -0.214 1.00 0.67 O ATOM 844 CB ALA A 168 18.597 4.868 1.083 1.00 1.03 C ATOM 0 H ALA A 168 15.815 4.085 2.063 1.00 0.72 H new ATOM 0 HA ALA A 168 17.241 6.478 1.518 1.00 0.72 H new ATOM 0 HB1 ALA A 168 19.090 5.386 0.260 1.00 1.03 H new ATOM 0 HB2 ALA A 168 19.166 5.020 2.000 1.00 1.03 H new ATOM 0 HB3 ALA A 168 18.544 3.802 0.861 1.00 1.03 H new ATOM 850 N GLU A 169 16.770 6.251 -0.892 1.00 0.55 N ATOM 851 CA GLU A 169 16.566 6.207 -2.358 1.00 0.73 C ATOM 852 C GLU A 169 15.140 6.423 -2.812 1.00 0.54 C ATOM 853 O GLU A 169 14.860 7.364 -3.549 1.00 0.78 O ATOM 854 CB GLU A 169 17.066 4.904 -3.019 1.00 1.19 C ATOM 855 CG GLU A 169 17.866 3.965 -2.133 1.00 1.40 C ATOM 856 CD GLU A 169 18.953 3.232 -2.895 1.00 1.80 C ATOM 857 OE1 GLU A 169 19.972 3.868 -3.236 1.00 2.18 O ATOM 858 OE2 GLU A 169 18.800 2.018 -3.151 1.00 2.02 O ATOM 0 H GLU A 169 17.231 7.110 -0.591 1.00 0.55 H new ATOM 0 HA GLU A 169 17.172 7.051 -2.687 1.00 0.73 H new ATOM 0 HB2 GLU A 169 16.202 4.361 -3.401 1.00 1.19 H new ATOM 0 HB3 GLU A 169 17.681 5.170 -3.879 1.00 1.19 H new ATOM 0 HG2 GLU A 169 18.317 4.534 -1.320 1.00 1.40 H new ATOM 0 HG3 GLU A 169 17.193 3.238 -1.678 1.00 1.40 H new ATOM 865 N ILE A 170 14.278 5.541 -2.370 1.00 0.56 N ATOM 866 CA ILE A 170 12.970 5.290 -2.977 1.00 0.54 C ATOM 867 C ILE A 170 12.194 6.555 -3.422 1.00 0.55 C ATOM 868 O ILE A 170 11.445 7.166 -2.683 1.00 0.65 O ATOM 869 CB ILE A 170 12.131 4.354 -2.049 1.00 0.67 C ATOM 870 CG1 ILE A 170 12.225 2.920 -2.552 1.00 0.97 C ATOM 871 CG2 ILE A 170 10.674 4.755 -1.892 1.00 0.83 C ATOM 872 CD1 ILE A 170 13.511 2.239 -2.179 1.00 1.07 C ATOM 0 H ILE A 170 14.461 4.955 -1.555 1.00 0.56 H new ATOM 0 HA ILE A 170 13.159 4.781 -3.922 1.00 0.54 H new ATOM 0 HB ILE A 170 12.567 4.449 -1.055 1.00 0.67 H new ATOM 0 HG12 ILE A 170 11.389 2.347 -2.151 1.00 0.97 H new ATOM 0 HG13 ILE A 170 12.122 2.916 -3.637 1.00 0.97 H new ATOM 0 HG21 ILE A 170 10.171 4.049 -1.231 1.00 0.83 H new ATOM 0 HG22 ILE A 170 10.616 5.756 -1.464 1.00 0.83 H new ATOM 0 HG23 ILE A 170 10.188 4.749 -2.868 1.00 0.83 H new ATOM 0 HD11 ILE A 170 13.510 1.221 -2.569 1.00 1.07 H new ATOM 0 HD12 ILE A 170 14.351 2.790 -2.603 1.00 1.07 H new ATOM 0 HD13 ILE A 170 13.607 2.211 -1.094 1.00 1.07 H new ATOM 884 N LYS A 171 12.414 6.961 -4.660 1.00 0.67 N ATOM 885 CA LYS A 171 11.505 7.897 -5.310 1.00 0.79 C ATOM 886 C LYS A 171 10.895 7.215 -6.502 1.00 0.84 C ATOM 887 O LYS A 171 9.991 7.728 -7.154 1.00 0.92 O ATOM 888 CB LYS A 171 12.259 9.128 -5.784 1.00 1.11 C ATOM 889 CG LYS A 171 13.745 8.890 -5.865 1.00 1.14 C ATOM 890 CD LYS A 171 14.497 10.131 -6.300 1.00 1.48 C ATOM 891 CE LYS A 171 15.954 10.043 -5.891 1.00 1.91 C ATOM 892 NZ LYS A 171 16.106 9.984 -4.410 1.00 2.68 N ATOM 0 H LYS A 171 13.204 6.663 -5.233 1.00 0.67 H new ATOM 0 HA LYS A 171 10.737 8.205 -4.601 1.00 0.79 H new ATOM 0 HB2 LYS A 171 11.886 9.425 -6.764 1.00 1.11 H new ATOM 0 HB3 LYS A 171 12.062 9.957 -5.104 1.00 1.11 H new ATOM 0 HG2 LYS A 171 14.114 8.566 -4.892 1.00 1.14 H new ATOM 0 HG3 LYS A 171 13.945 8.081 -6.567 1.00 1.14 H new ATOM 0 HD2 LYS A 171 14.424 10.247 -7.381 1.00 1.48 H new ATOM 0 HD3 LYS A 171 14.041 11.014 -5.853 1.00 1.48 H new ATOM 0 HE2 LYS A 171 16.405 9.158 -6.339 1.00 1.91 H new ATOM 0 HE3 LYS A 171 16.494 10.907 -6.279 1.00 1.91 H new ATOM 0 HZ1 LYS A 171 16.919 10.564 -4.121 1.00 2.68 H new ATOM 0 HZ2 LYS A 171 15.243 10.348 -3.958 1.00 2.68 H new ATOM 0 HZ3 LYS A 171 16.262 8.999 -4.116 1.00 2.68 H new ATOM 906 N SER A 172 11.410 6.040 -6.757 1.00 0.92 N ATOM 907 CA SER A 172 10.826 5.115 -7.681 1.00 1.13 C ATOM 908 C SER A 172 9.600 4.471 -7.077 1.00 1.05 C ATOM 909 O SER A 172 8.571 4.323 -7.716 1.00 1.12 O ATOM 910 CB SER A 172 11.899 4.126 -8.057 1.00 1.45 C ATOM 911 OG SER A 172 11.371 2.886 -8.507 1.00 1.86 O ATOM 0 H SER A 172 12.264 5.697 -6.317 1.00 0.92 H new ATOM 0 HA SER A 172 10.475 5.612 -8.586 1.00 1.13 H new ATOM 0 HB2 SER A 172 12.524 4.555 -8.840 1.00 1.45 H new ATOM 0 HB3 SER A 172 12.543 3.950 -7.195 1.00 1.45 H new ATOM 0 HG SER A 172 11.562 2.190 -7.844 1.00 1.86 H new ATOM 917 N SER A 173 9.726 4.099 -5.820 1.00 1.00 N ATOM 918 CA SER A 173 8.603 3.632 -5.051 1.00 1.09 C ATOM 919 C SER A 173 7.776 4.824 -4.590 1.00 0.94 C ATOM 920 O SER A 173 6.661 4.664 -4.133 1.00 1.14 O ATOM 921 CB SER A 173 9.058 2.754 -3.889 1.00 1.24 C ATOM 922 OG SER A 173 9.625 1.542 -4.363 1.00 1.47 O ATOM 0 H SER A 173 10.608 4.114 -5.309 1.00 1.00 H new ATOM 0 HA SER A 173 7.970 3.003 -5.677 1.00 1.09 H new ATOM 0 HB2 SER A 173 9.790 3.292 -3.286 1.00 1.24 H new ATOM 0 HB3 SER A 173 8.210 2.534 -3.240 1.00 1.24 H new ATOM 0 HG SER A 173 9.041 1.153 -5.047 1.00 1.47 H new ATOM 928 N CYS A 174 8.310 6.036 -4.796 1.00 0.76 N ATOM 929 CA CYS A 174 7.547 7.252 -4.525 1.00 0.85 C ATOM 930 C CYS A 174 6.545 7.396 -5.621 1.00 0.73 C ATOM 931 O CYS A 174 5.661 8.251 -5.591 1.00 0.88 O ATOM 932 CB CYS A 174 8.417 8.492 -4.565 1.00 1.09 C ATOM 933 SG CYS A 174 9.244 8.900 -3.020 1.00 1.63 S ATOM 0 H CYS A 174 9.255 6.195 -5.145 1.00 0.76 H new ATOM 0 HA CYS A 174 7.102 7.166 -3.534 1.00 0.85 H new ATOM 0 HB2 CYS A 174 9.173 8.361 -5.339 1.00 1.09 H new ATOM 0 HB3 CYS A 174 7.800 9.340 -4.863 1.00 1.09 H new ATOM 0 HG CYS A 174 10.093 7.962 -2.721 1.00 1.63 H new ATOM 939 N ALA A 175 6.728 6.559 -6.610 1.00 0.63 N ATOM 940 CA ALA A 175 5.774 6.427 -7.645 1.00 0.66 C ATOM 941 C ALA A 175 4.662 5.517 -7.148 1.00 0.59 C ATOM 942 O ALA A 175 4.928 4.414 -6.691 1.00 0.65 O ATOM 943 CB ALA A 175 6.422 5.899 -8.906 1.00 0.80 C ATOM 0 H ALA A 175 7.546 5.957 -6.707 1.00 0.63 H new ATOM 0 HA ALA A 175 5.351 7.398 -7.901 1.00 0.66 H new ATOM 0 HB1 ALA A 175 5.670 5.805 -9.690 1.00 0.80 H new ATOM 0 HB2 ALA A 175 7.201 6.589 -9.231 1.00 0.80 H new ATOM 0 HB3 ALA A 175 6.863 4.922 -8.707 1.00 0.80 H new ATOM 949 N LYS A 176 3.429 5.989 -7.176 1.00 0.60 N ATOM 950 CA LYS A 176 2.348 5.274 -6.515 1.00 0.59 C ATOM 951 C LYS A 176 1.108 5.227 -7.378 1.00 0.53 C ATOM 952 O LYS A 176 0.646 6.255 -7.883 1.00 0.66 O ATOM 953 CB LYS A 176 1.996 5.945 -5.194 1.00 0.83 C ATOM 954 CG LYS A 176 3.107 6.821 -4.642 1.00 0.84 C ATOM 955 CD LYS A 176 2.567 7.924 -3.751 1.00 1.59 C ATOM 956 CE LYS A 176 1.634 8.859 -4.505 1.00 2.27 C ATOM 957 NZ LYS A 176 1.078 9.917 -3.621 1.00 2.95 N ATOM 0 H LYS A 176 3.151 6.853 -7.642 1.00 0.60 H new ATOM 0 HA LYS A 176 2.696 4.257 -6.337 1.00 0.59 H new ATOM 0 HB2 LYS A 176 1.101 6.551 -5.331 1.00 0.83 H new ATOM 0 HB3 LYS A 176 1.751 5.177 -4.460 1.00 0.83 H new ATOM 0 HG2 LYS A 176 3.807 6.206 -4.076 1.00 0.84 H new ATOM 0 HG3 LYS A 176 3.666 7.262 -5.467 1.00 0.84 H new ATOM 0 HD2 LYS A 176 2.035 7.482 -2.909 1.00 1.59 H new ATOM 0 HD3 LYS A 176 3.398 8.496 -3.338 1.00 1.59 H new ATOM 0 HE2 LYS A 176 2.174 9.322 -5.331 1.00 2.27 H new ATOM 0 HE3 LYS A 176 0.817 8.284 -4.941 1.00 2.27 H new ATOM 0 HZ1 LYS A 176 0.173 10.253 -4.009 1.00 2.95 H new ATOM 0 HZ2 LYS A 176 0.923 9.528 -2.669 1.00 2.95 H new ATOM 0 HZ3 LYS A 176 1.748 10.711 -3.566 1.00 2.95 H new ATOM 971 N VAL A 177 0.565 4.045 -7.545 1.00 0.43 N ATOM 972 CA VAL A 177 -0.685 3.896 -8.267 1.00 0.41 C ATOM 973 C VAL A 177 -1.712 3.176 -7.434 1.00 0.37 C ATOM 974 O VAL A 177 -1.390 2.241 -6.714 1.00 0.41 O ATOM 975 CB VAL A 177 -0.515 3.172 -9.615 1.00 0.49 C ATOM 976 CG1 VAL A 177 -1.765 3.335 -10.456 1.00 0.68 C ATOM 977 CG2 VAL A 177 0.713 3.668 -10.368 1.00 0.77 C ATOM 0 H VAL A 177 0.963 3.174 -7.194 1.00 0.43 H new ATOM 0 HA VAL A 177 -1.032 4.908 -8.477 1.00 0.41 H new ATOM 0 HB VAL A 177 -0.363 2.112 -9.411 1.00 0.49 H new ATOM 0 HG11 VAL A 177 -1.633 2.819 -11.407 1.00 0.68 H new ATOM 0 HG12 VAL A 177 -2.618 2.909 -9.927 1.00 0.68 H new ATOM 0 HG13 VAL A 177 -1.944 4.394 -10.640 1.00 0.68 H new ATOM 0 HG21 VAL A 177 0.800 3.134 -11.314 1.00 0.77 H new ATOM 0 HG22 VAL A 177 0.614 4.736 -10.562 1.00 0.77 H new ATOM 0 HG23 VAL A 177 1.605 3.489 -9.767 1.00 0.77 H new ATOM 987 N GLN A 178 -2.944 3.632 -7.516 1.00 0.38 N ATOM 988 CA GLN A 178 -4.028 2.971 -6.839 1.00 0.37 C ATOM 989 C GLN A 178 -5.212 2.754 -7.759 1.00 0.33 C ATOM 990 O GLN A 178 -5.477 3.545 -8.666 1.00 0.40 O ATOM 991 CB GLN A 178 -4.436 3.739 -5.571 1.00 0.48 C ATOM 992 CG GLN A 178 -5.851 3.441 -5.089 1.00 0.64 C ATOM 993 CD GLN A 178 -6.852 4.504 -5.498 1.00 1.70 C ATOM 994 OE1 GLN A 178 -6.658 5.208 -6.487 1.00 2.52 O ATOM 995 NE2 GLN A 178 -7.948 4.595 -4.765 1.00 2.30 N ATOM 0 H GLN A 178 -3.215 4.460 -8.047 1.00 0.38 H new ATOM 0 HA GLN A 178 -3.674 1.986 -6.534 1.00 0.37 H new ATOM 0 HB2 GLN A 178 -3.734 3.499 -4.773 1.00 0.48 H new ATOM 0 HB3 GLN A 178 -4.347 4.808 -5.763 1.00 0.48 H new ATOM 0 HG2 GLN A 178 -6.169 2.478 -5.487 1.00 0.64 H new ATOM 0 HG3 GLN A 178 -5.848 3.352 -4.003 1.00 0.64 H new ATOM 0 HE21 GLN A 178 -8.069 3.991 -3.952 1.00 2.30 H new ATOM 0 HE22 GLN A 178 -8.673 5.269 -5.013 1.00 2.30 H new ATOM 1004 N THR A 179 -5.898 1.652 -7.524 1.00 0.32 N ATOM 1005 CA THR A 179 -7.111 1.336 -8.242 1.00 0.32 C ATOM 1006 C THR A 179 -8.322 1.613 -7.373 1.00 0.31 C ATOM 1007 O THR A 179 -8.401 1.134 -6.242 1.00 0.30 O ATOM 1008 CB THR A 179 -7.140 -0.147 -8.640 1.00 0.33 C ATOM 1009 OG1 THR A 179 -5.971 -0.471 -9.404 1.00 0.36 O ATOM 1010 CG2 THR A 179 -8.387 -0.482 -9.447 1.00 0.42 C ATOM 0 H THR A 179 -5.628 0.954 -6.831 1.00 0.32 H new ATOM 0 HA THR A 179 -7.135 1.958 -9.137 1.00 0.32 H new ATOM 0 HB THR A 179 -7.157 -0.739 -7.725 1.00 0.33 H new ATOM 0 HG1 THR A 179 -5.995 -1.419 -9.653 1.00 0.36 H new ATOM 0 HG21 THR A 179 -8.376 -1.539 -9.712 1.00 0.42 H new ATOM 0 HG22 THR A 179 -9.274 -0.267 -8.852 1.00 0.42 H new ATOM 0 HG23 THR A 179 -8.405 0.120 -10.356 1.00 0.42 H new ATOM 1018 N ARG A 180 -9.245 2.391 -7.902 1.00 0.38 N ATOM 1019 CA ARG A 180 -10.551 2.543 -7.302 1.00 0.44 C ATOM 1020 C ARG A 180 -11.588 2.402 -8.398 1.00 0.55 C ATOM 1021 O ARG A 180 -11.375 2.857 -9.523 1.00 0.64 O ATOM 1022 CB ARG A 180 -10.706 3.884 -6.575 1.00 0.60 C ATOM 1023 CG ARG A 180 -10.677 5.114 -7.475 1.00 0.95 C ATOM 1024 CD ARG A 180 -9.269 5.448 -7.941 1.00 1.44 C ATOM 1025 NE ARG A 180 -9.227 6.644 -8.780 1.00 1.98 N ATOM 1026 CZ ARG A 180 -8.334 7.627 -8.635 1.00 2.68 C ATOM 1027 NH1 ARG A 180 -7.429 7.574 -7.660 1.00 3.12 N ATOM 1028 NH2 ARG A 180 -8.345 8.659 -9.471 1.00 3.41 N ATOM 0 H ARG A 180 -9.110 2.932 -8.756 1.00 0.38 H new ATOM 0 HA ARG A 180 -10.686 1.771 -6.544 1.00 0.44 H new ATOM 0 HB2 ARG A 180 -11.648 3.876 -6.027 1.00 0.60 H new ATOM 0 HB3 ARG A 180 -9.909 3.974 -5.837 1.00 0.60 H new ATOM 0 HG2 ARG A 180 -11.315 4.943 -8.342 1.00 0.95 H new ATOM 0 HG3 ARG A 180 -11.092 5.966 -6.937 1.00 0.95 H new ATOM 0 HD2 ARG A 180 -8.627 5.595 -7.072 1.00 1.44 H new ATOM 0 HD3 ARG A 180 -8.864 4.603 -8.498 1.00 1.44 H new ATOM 0 HE ARG A 180 -9.922 6.734 -9.521 1.00 1.98 H new ATOM 0 HH11 ARG A 180 -7.415 6.780 -7.019 1.00 3.12 H new ATOM 0 HH12 ARG A 180 -6.749 8.327 -7.554 1.00 3.12 H new ATOM 0 HH21 ARG A 180 -9.034 8.700 -10.222 1.00 3.41 H new ATOM 0 HH22 ARG A 180 -7.664 9.411 -9.362 1.00 3.41 H new ATOM 1042 N LYS A 181 -12.693 1.762 -8.075 1.00 0.61 N ATOM 1043 CA LYS A 181 -13.680 1.392 -9.080 1.00 0.75 C ATOM 1044 C LYS A 181 -14.877 0.738 -8.416 1.00 0.71 C ATOM 1045 O LYS A 181 -15.967 0.669 -8.980 1.00 0.89 O ATOM 1046 CB LYS A 181 -13.059 0.400 -10.065 1.00 0.91 C ATOM 1047 CG LYS A 181 -12.739 -0.945 -9.430 1.00 0.92 C ATOM 1048 CD LYS A 181 -11.778 -1.761 -10.282 1.00 1.36 C ATOM 1049 CE LYS A 181 -12.360 -2.077 -11.653 1.00 1.64 C ATOM 1050 NZ LYS A 181 -13.588 -2.908 -11.563 1.00 2.13 N ATOM 0 H LYS A 181 -12.934 1.485 -7.124 1.00 0.61 H new ATOM 0 HA LYS A 181 -14.001 2.291 -9.607 1.00 0.75 H new ATOM 0 HB2 LYS A 181 -13.743 0.248 -10.900 1.00 0.91 H new ATOM 0 HB3 LYS A 181 -12.145 0.828 -10.476 1.00 0.91 H new ATOM 0 HG2 LYS A 181 -12.304 -0.786 -8.443 1.00 0.92 H new ATOM 0 HG3 LYS A 181 -13.662 -1.507 -9.285 1.00 0.92 H new ATOM 0 HD2 LYS A 181 -10.844 -1.212 -10.402 1.00 1.36 H new ATOM 0 HD3 LYS A 181 -11.537 -2.691 -9.767 1.00 1.36 H new ATOM 0 HE2 LYS A 181 -12.590 -1.146 -12.171 1.00 1.64 H new ATOM 0 HE3 LYS A 181 -11.613 -2.599 -12.251 1.00 1.64 H new ATOM 0 HZ1 LYS A 181 -13.853 -3.240 -12.512 1.00 2.13 H new ATOM 0 HZ2 LYS A 181 -13.409 -3.727 -10.948 1.00 2.13 H new ATOM 0 HZ3 LYS A 181 -14.363 -2.340 -11.166 1.00 2.13 H new ATOM 1064 N GLY A 182 -14.649 0.237 -7.216 1.00 0.64 N ATOM 1065 CA GLY A 182 -15.656 -0.523 -6.535 1.00 0.73 C ATOM 1066 C GLY A 182 -15.381 -0.627 -5.059 1.00 0.65 C ATOM 1067 O GLY A 182 -15.191 0.377 -4.377 1.00 0.78 O ATOM 0 H GLY A 182 -13.775 0.347 -6.702 1.00 0.64 H new ATOM 0 HA2 GLY A 182 -16.629 -0.057 -6.691 1.00 0.73 H new ATOM 0 HA3 GLY A 182 -15.709 -1.523 -6.965 1.00 0.73 H new ATOM 1071 N SER A 183 -15.339 -1.849 -4.579 1.00 0.61 N ATOM 1072 CA SER A 183 -15.105 -2.110 -3.172 1.00 0.70 C ATOM 1073 C SER A 183 -13.658 -2.556 -2.942 1.00 0.66 C ATOM 1074 O SER A 183 -13.301 -3.002 -1.852 1.00 0.81 O ATOM 1075 CB SER A 183 -16.087 -3.181 -2.679 1.00 0.88 C ATOM 1076 OG SER A 183 -16.159 -3.216 -1.264 1.00 1.60 O ATOM 0 H SER A 183 -15.465 -2.687 -5.147 1.00 0.61 H new ATOM 0 HA SER A 183 -15.268 -1.193 -2.606 1.00 0.70 H new ATOM 0 HB2 SER A 183 -17.077 -2.983 -3.089 1.00 0.88 H new ATOM 0 HB3 SER A 183 -15.778 -4.157 -3.052 1.00 0.88 H new ATOM 0 HG SER A 183 -15.254 -3.178 -0.889 1.00 1.60 H new ATOM 1082 N LEU A 184 -12.824 -2.427 -3.970 1.00 0.53 N ATOM 1083 CA LEU A 184 -11.435 -2.861 -3.877 1.00 0.51 C ATOM 1084 C LEU A 184 -10.471 -1.747 -4.299 1.00 0.39 C ATOM 1085 O LEU A 184 -10.653 -1.096 -5.330 1.00 0.43 O ATOM 1086 CB LEU A 184 -11.191 -4.184 -4.657 1.00 0.68 C ATOM 1087 CG LEU A 184 -11.304 -4.185 -6.204 1.00 1.14 C ATOM 1088 CD1 LEU A 184 -12.556 -3.476 -6.699 1.00 1.80 C ATOM 1089 CD2 LEU A 184 -10.056 -3.607 -6.858 1.00 2.15 C ATOM 0 H LEU A 184 -13.084 -2.028 -4.872 1.00 0.53 H new ATOM 0 HA LEU A 184 -11.227 -3.078 -2.829 1.00 0.51 H new ATOM 0 HB2 LEU A 184 -10.191 -4.535 -4.401 1.00 0.68 H new ATOM 0 HB3 LEU A 184 -11.896 -4.923 -4.277 1.00 0.68 H new ATOM 0 HG LEU A 184 -11.390 -5.230 -6.503 1.00 1.14 H new ATOM 0 HD11 LEU A 184 -12.585 -3.506 -7.788 1.00 1.80 H new ATOM 0 HD12 LEU A 184 -13.439 -3.975 -6.299 1.00 1.80 H new ATOM 0 HD13 LEU A 184 -12.543 -2.438 -6.365 1.00 1.80 H new ATOM 0 HD21 LEU A 184 -10.172 -3.624 -7.942 1.00 2.15 H new ATOM 0 HD22 LEU A 184 -9.913 -2.579 -6.525 1.00 2.15 H new ATOM 0 HD23 LEU A 184 -9.188 -4.204 -6.576 1.00 2.15 H new ATOM 1101 N LEU A 185 -9.481 -1.518 -3.448 1.00 0.32 N ATOM 1102 CA LEU A 185 -8.444 -0.519 -3.648 1.00 0.30 C ATOM 1103 C LEU A 185 -7.126 -1.208 -3.901 1.00 0.29 C ATOM 1104 O LEU A 185 -6.847 -2.229 -3.315 1.00 0.48 O ATOM 1105 CB LEU A 185 -8.299 0.389 -2.422 1.00 0.38 C ATOM 1106 CG LEU A 185 -9.342 1.499 -2.274 1.00 0.55 C ATOM 1107 CD1 LEU A 185 -10.720 1.047 -2.692 1.00 0.99 C ATOM 1108 CD2 LEU A 185 -9.374 1.992 -0.842 1.00 1.07 C ATOM 0 H LEU A 185 -9.375 -2.037 -2.576 1.00 0.32 H new ATOM 0 HA LEU A 185 -8.727 0.094 -4.504 1.00 0.30 H new ATOM 0 HB2 LEU A 185 -8.333 -0.234 -1.528 1.00 0.38 H new ATOM 0 HB3 LEU A 185 -7.311 0.849 -2.452 1.00 0.38 H new ATOM 0 HG LEU A 185 -9.048 2.312 -2.938 1.00 0.55 H new ATOM 0 HD11 LEU A 185 -11.425 1.869 -2.569 1.00 0.99 H new ATOM 0 HD12 LEU A 185 -10.700 0.739 -3.737 1.00 0.99 H new ATOM 0 HD13 LEU A 185 -11.031 0.206 -2.072 1.00 0.99 H new ATOM 0 HD21 LEU A 185 -10.119 2.782 -0.746 1.00 1.07 H new ATOM 0 HD22 LEU A 185 -9.632 1.167 -0.179 1.00 1.07 H new ATOM 0 HD23 LEU A 185 -8.394 2.383 -0.570 1.00 1.07 H new ATOM 1120 N HIS A 186 -6.354 -0.679 -4.808 1.00 0.27 N ATOM 1121 CA HIS A 186 -5.052 -1.237 -5.151 1.00 0.30 C ATOM 1122 C HIS A 186 -3.976 -0.230 -4.833 1.00 0.40 C ATOM 1123 O HIS A 186 -4.175 0.936 -5.071 1.00 0.67 O ATOM 1124 CB HIS A 186 -4.973 -1.473 -6.644 1.00 0.44 C ATOM 1125 CG HIS A 186 -5.276 -2.857 -7.124 1.00 0.67 C ATOM 1126 ND1 HIS A 186 -6.472 -3.213 -7.705 1.00 1.18 N ATOM 1127 CD2 HIS A 186 -4.488 -3.952 -7.189 1.00 1.54 C ATOM 1128 CE1 HIS A 186 -6.405 -4.468 -8.108 1.00 1.51 C ATOM 1129 NE2 HIS A 186 -5.210 -4.942 -7.809 1.00 1.79 N ATOM 0 H HIS A 186 -6.601 0.156 -5.340 1.00 0.27 H new ATOM 0 HA HIS A 186 -4.920 -2.163 -4.592 1.00 0.30 H new ATOM 0 HB2 HIS A 186 -5.662 -0.785 -7.134 1.00 0.44 H new ATOM 0 HB3 HIS A 186 -3.969 -1.210 -6.977 1.00 0.44 H new ATOM 0 HD2 HIS A 186 -3.476 -4.034 -6.821 1.00 1.54 H new ATOM 0 HE1 HIS A 186 -7.195 -5.015 -8.600 1.00 1.51 H new ATOM 0 HE2 HIS A 186 -4.878 -5.886 -8.006 1.00 1.79 H new ATOM 1138 N LEU A 187 -2.874 -0.650 -4.276 1.00 0.32 N ATOM 1139 CA LEU A 187 -1.678 0.135 -4.356 1.00 0.37 C ATOM 1140 C LEU A 187 -0.730 -0.664 -5.190 1.00 0.36 C ATOM 1141 O LEU A 187 -0.363 -1.777 -4.804 1.00 0.35 O ATOM 1142 CB LEU A 187 -1.066 0.367 -2.978 1.00 0.43 C ATOM 1143 CG LEU A 187 -0.020 1.491 -2.864 1.00 0.55 C ATOM 1144 CD1 LEU A 187 1.332 1.047 -3.401 1.00 1.38 C ATOM 1145 CD2 LEU A 187 -0.490 2.736 -3.593 1.00 1.26 C ATOM 0 H LEU A 187 -2.781 -1.528 -3.764 1.00 0.32 H new ATOM 0 HA LEU A 187 -1.890 1.117 -4.779 1.00 0.37 H new ATOM 0 HB2 LEU A 187 -1.874 0.583 -2.279 1.00 0.43 H new ATOM 0 HB3 LEU A 187 -0.602 -0.564 -2.651 1.00 0.43 H new ATOM 0 HG LEU A 187 0.097 1.726 -1.806 1.00 0.55 H new ATOM 0 HD11 LEU A 187 2.047 1.864 -3.306 1.00 1.38 H new ATOM 0 HD12 LEU A 187 1.685 0.187 -2.832 1.00 1.38 H new ATOM 0 HD13 LEU A 187 1.234 0.771 -4.451 1.00 1.38 H new ATOM 0 HD21 LEU A 187 0.263 3.518 -3.500 1.00 1.26 H new ATOM 0 HD22 LEU A 187 -0.644 2.504 -4.647 1.00 1.26 H new ATOM 0 HD23 LEU A 187 -1.427 3.081 -3.156 1.00 1.26 H new ATOM 1157 N THR A 188 -0.384 -0.114 -6.326 1.00 0.39 N ATOM 1158 CA THR A 188 0.609 -0.688 -7.183 1.00 0.44 C ATOM 1159 C THR A 188 1.909 0.043 -6.964 1.00 0.50 C ATOM 1160 O THR A 188 2.030 1.228 -7.292 1.00 0.55 O ATOM 1161 CB THR A 188 0.181 -0.587 -8.653 1.00 0.51 C ATOM 1162 OG1 THR A 188 -0.746 0.488 -8.803 1.00 0.70 O ATOM 1163 CG2 THR A 188 -0.476 -1.872 -9.117 1.00 0.47 C ATOM 0 H THR A 188 -0.790 0.752 -6.681 1.00 0.39 H new ATOM 0 HA THR A 188 0.731 -1.745 -6.945 1.00 0.44 H new ATOM 0 HB THR A 188 1.070 -0.410 -9.258 1.00 0.51 H new ATOM 0 HG1 THR A 188 -1.140 0.457 -9.700 1.00 0.70 H new ATOM 0 HG21 THR A 188 -0.770 -1.774 -10.162 1.00 0.47 H new ATOM 0 HG22 THR A 188 0.228 -2.698 -9.014 1.00 0.47 H new ATOM 0 HG23 THR A 188 -1.359 -2.069 -8.509 1.00 0.47 H new ATOM 1171 N LEU A 189 2.859 -0.654 -6.380 1.00 0.52 N ATOM 1172 CA LEU A 189 4.104 -0.045 -5.995 1.00 0.58 C ATOM 1173 C LEU A 189 5.234 -0.472 -6.918 1.00 0.61 C ATOM 1174 O LEU A 189 5.608 -1.638 -6.938 1.00 0.67 O ATOM 1175 CB LEU A 189 4.436 -0.425 -4.558 1.00 0.67 C ATOM 1176 CG LEU A 189 5.696 0.236 -4.022 1.00 0.75 C ATOM 1177 CD1 LEU A 189 5.668 1.710 -4.363 1.00 1.08 C ATOM 1178 CD2 LEU A 189 5.788 0.058 -2.524 1.00 1.21 C ATOM 0 H LEU A 189 2.788 -1.648 -6.162 1.00 0.52 H new ATOM 0 HA LEU A 189 3.995 1.037 -6.073 1.00 0.58 H new ATOM 0 HB2 LEU A 189 3.596 -0.156 -3.918 1.00 0.67 H new ATOM 0 HB3 LEU A 189 4.550 -1.507 -4.496 1.00 0.67 H new ATOM 0 HG LEU A 189 6.568 -0.231 -4.480 1.00 0.75 H new ATOM 0 HD11 LEU A 189 6.569 2.189 -3.981 1.00 1.08 H new ATOM 0 HD12 LEU A 189 5.623 1.832 -5.445 1.00 1.08 H new ATOM 0 HD13 LEU A 189 4.791 2.172 -3.909 1.00 1.08 H new ATOM 0 HD21 LEU A 189 6.695 0.537 -2.156 1.00 1.21 H new ATOM 0 HD22 LEU A 189 4.919 0.514 -2.049 1.00 1.21 H new ATOM 0 HD23 LEU A 189 5.816 -1.005 -2.285 1.00 1.21 H new ATOM 1190 N PRO A 190 5.773 0.479 -7.697 1.00 0.66 N ATOM 1191 CA PRO A 190 6.963 0.278 -8.533 1.00 0.73 C ATOM 1192 C PRO A 190 8.150 -0.262 -7.745 1.00 0.89 C ATOM 1193 O PRO A 190 8.228 -0.111 -6.521 1.00 0.98 O ATOM 1194 CB PRO A 190 7.268 1.677 -9.065 1.00 0.86 C ATOM 1195 CG PRO A 190 5.954 2.363 -9.063 1.00 0.86 C ATOM 1196 CD PRO A 190 5.226 1.833 -7.861 1.00 0.78 C ATOM 0 HA PRO A 190 6.785 -0.461 -9.314 1.00 0.73 H new ATOM 0 HB2 PRO A 190 7.988 2.195 -8.432 1.00 0.86 H new ATOM 0 HB3 PRO A 190 7.695 1.637 -10.067 1.00 0.86 H new ATOM 0 HG2 PRO A 190 6.076 3.444 -9.002 1.00 0.86 H new ATOM 0 HG3 PRO A 190 5.402 2.155 -9.979 1.00 0.86 H new ATOM 0 HD2 PRO A 190 5.406 2.448 -6.979 1.00 0.78 H new ATOM 0 HD3 PRO A 190 4.148 1.814 -8.021 1.00 0.78 H new ATOM 1204 N LYS A 191 9.072 -0.876 -8.478 1.00 1.06 N ATOM 1205 CA LYS A 191 10.126 -1.700 -7.905 1.00 1.32 C ATOM 1206 C LYS A 191 10.921 -0.964 -6.834 1.00 1.50 C ATOM 1207 O LYS A 191 11.449 0.131 -7.055 1.00 1.61 O ATOM 1208 CB LYS A 191 11.073 -2.140 -9.025 1.00 1.60 C ATOM 1209 CG LYS A 191 12.133 -3.141 -8.597 1.00 1.99 C ATOM 1210 CD LYS A 191 13.224 -3.270 -9.651 1.00 2.64 C ATOM 1211 CE LYS A 191 12.638 -3.493 -11.038 1.00 3.26 C ATOM 1212 NZ LYS A 191 13.691 -3.609 -12.082 1.00 3.64 N ATOM 0 H LYS A 191 9.108 -0.814 -9.495 1.00 1.06 H new ATOM 0 HA LYS A 191 9.656 -2.560 -7.428 1.00 1.32 H new ATOM 0 HB2 LYS A 191 10.484 -2.577 -9.831 1.00 1.60 H new ATOM 0 HB3 LYS A 191 11.567 -1.258 -9.433 1.00 1.60 H new ATOM 0 HG2 LYS A 191 12.573 -2.827 -7.651 1.00 1.99 H new ATOM 0 HG3 LYS A 191 11.671 -4.114 -8.427 1.00 1.99 H new ATOM 0 HD2 LYS A 191 13.836 -2.368 -9.654 1.00 2.64 H new ATOM 0 HD3 LYS A 191 13.882 -4.101 -9.395 1.00 2.64 H new ATOM 0 HE2 LYS A 191 12.033 -4.399 -11.033 1.00 3.26 H new ATOM 0 HE3 LYS A 191 11.972 -2.666 -11.286 1.00 3.26 H new ATOM 0 HZ1 LYS A 191 13.245 -3.760 -13.009 1.00 3.64 H new ATOM 0 HZ2 LYS A 191 14.253 -2.735 -12.106 1.00 3.64 H new ATOM 0 HZ3 LYS A 191 14.312 -4.414 -11.861 1.00 3.64 H new ATOM 1226 N LYS A 192 10.995 -1.606 -5.676 1.00 1.73 N ATOM 1227 CA LYS A 192 11.760 -1.118 -4.542 1.00 2.06 C ATOM 1228 C LYS A 192 13.180 -1.665 -4.616 1.00 2.14 C ATOM 1229 O LYS A 192 13.643 -2.072 -5.682 1.00 2.45 O ATOM 1230 CB LYS A 192 11.110 -1.598 -3.236 1.00 2.43 C ATOM 1231 CG LYS A 192 10.998 -3.118 -3.156 1.00 2.74 C ATOM 1232 CD LYS A 192 10.735 -3.614 -1.741 1.00 3.41 C ATOM 1233 CE LYS A 192 9.411 -3.109 -1.195 1.00 4.16 C ATOM 1234 NZ LYS A 192 8.973 -3.892 -0.006 1.00 4.71 N ATOM 0 H LYS A 192 10.519 -2.490 -5.498 1.00 1.73 H new ATOM 0 HA LYS A 192 11.779 -0.028 -4.565 1.00 2.06 H new ATOM 0 HB2 LYS A 192 11.694 -1.236 -2.390 1.00 2.43 H new ATOM 0 HB3 LYS A 192 10.116 -1.160 -3.148 1.00 2.43 H new ATOM 0 HG2 LYS A 192 10.193 -3.454 -3.810 1.00 2.74 H new ATOM 0 HG3 LYS A 192 11.919 -3.566 -3.528 1.00 2.74 H new ATOM 0 HD2 LYS A 192 10.738 -4.704 -1.733 1.00 3.41 H new ATOM 0 HD3 LYS A 192 11.544 -3.289 -1.087 1.00 3.41 H new ATOM 0 HE2 LYS A 192 9.506 -2.058 -0.924 1.00 4.16 H new ATOM 0 HE3 LYS A 192 8.649 -3.170 -1.972 1.00 4.16 H new ATOM 0 HZ1 LYS A 192 8.241 -3.362 0.508 1.00 4.71 H new ATOM 0 HZ2 LYS A 192 8.585 -4.806 -0.316 1.00 4.71 H new ATOM 0 HZ3 LYS A 192 9.787 -4.056 0.621 1.00 4.71 H new ATOM 1248 N VAL A 193 13.857 -1.682 -3.480 1.00 2.09 N ATOM 1249 CA VAL A 193 15.118 -2.387 -3.362 1.00 2.30 C ATOM 1250 C VAL A 193 14.848 -3.760 -2.777 1.00 2.34 C ATOM 1251 O VAL A 193 14.393 -3.885 -1.640 1.00 2.29 O ATOM 1252 CB VAL A 193 16.129 -1.631 -2.476 1.00 2.58 C ATOM 1253 CG1 VAL A 193 17.459 -2.368 -2.428 1.00 2.90 C ATOM 1254 CG2 VAL A 193 16.325 -0.211 -2.982 1.00 2.95 C ATOM 0 H VAL A 193 13.552 -1.214 -2.626 1.00 2.09 H new ATOM 0 HA VAL A 193 15.561 -2.468 -4.355 1.00 2.30 H new ATOM 0 HB VAL A 193 15.727 -1.584 -1.464 1.00 2.58 H new ATOM 0 HG11 VAL A 193 18.157 -1.818 -1.798 1.00 2.90 H new ATOM 0 HG12 VAL A 193 17.307 -3.366 -2.016 1.00 2.90 H new ATOM 0 HG13 VAL A 193 17.866 -2.450 -3.436 1.00 2.90 H new ATOM 0 HG21 VAL A 193 17.042 0.307 -2.344 1.00 2.95 H new ATOM 0 HG22 VAL A 193 16.702 -0.238 -4.004 1.00 2.95 H new ATOM 0 HG23 VAL A 193 15.372 0.318 -2.961 1.00 2.95 H new ATOM 1264 N PRO A 194 15.078 -4.808 -3.569 1.00 2.59 N ATOM 1265 CA PRO A 194 14.732 -6.170 -3.187 1.00 2.88 C ATOM 1266 C PRO A 194 15.714 -6.790 -2.192 1.00 3.13 C ATOM 1267 O PRO A 194 16.831 -6.304 -2.032 1.00 3.21 O ATOM 1268 CB PRO A 194 14.772 -6.912 -4.517 1.00 3.34 C ATOM 1269 CG PRO A 194 15.826 -6.203 -5.282 1.00 3.19 C ATOM 1270 CD PRO A 194 15.693 -4.753 -4.909 1.00 2.80 C ATOM 0 HA PRO A 194 13.772 -6.215 -2.673 1.00 2.88 H new ATOM 0 HB2 PRO A 194 15.016 -7.966 -4.381 1.00 3.34 H new ATOM 0 HB3 PRO A 194 13.810 -6.871 -5.028 1.00 3.34 H new ATOM 0 HG2 PRO A 194 16.816 -6.583 -5.029 1.00 3.19 H new ATOM 0 HG3 PRO A 194 15.694 -6.345 -6.355 1.00 3.19 H new ATOM 0 HD2 PRO A 194 16.661 -4.252 -4.888 1.00 2.80 H new ATOM 0 HD3 PRO A 194 15.068 -4.210 -5.618 1.00 2.80 H new ATOM 1278 N MET A 195 15.237 -7.833 -1.502 1.00 3.35 N ATOM 1279 CA MET A 195 16.044 -8.702 -0.626 1.00 3.77 C ATOM 1280 C MET A 195 16.361 -8.013 0.695 1.00 3.52 C ATOM 1281 O MET A 195 17.179 -8.483 1.487 1.00 3.93 O ATOM 1282 CB MET A 195 17.323 -9.219 -1.322 1.00 4.38 C ATOM 1283 CG MET A 195 18.566 -8.354 -1.144 1.00 4.43 C ATOM 1284 SD MET A 195 19.992 -9.003 -2.040 1.00 5.16 S ATOM 1285 CE MET A 195 21.246 -7.807 -1.586 1.00 5.60 C ATOM 0 H MET A 195 14.255 -8.106 -1.536 1.00 3.35 H new ATOM 0 HA MET A 195 15.437 -9.580 -0.406 1.00 3.77 H new ATOM 0 HB2 MET A 195 17.541 -10.218 -0.946 1.00 4.38 H new ATOM 0 HB3 MET A 195 17.120 -9.317 -2.388 1.00 4.38 H new ATOM 0 HG2 MET A 195 18.353 -7.342 -1.489 1.00 4.43 H new ATOM 0 HG3 MET A 195 18.808 -8.285 -0.083 1.00 4.43 H new ATOM 0 HE1 MET A 195 22.190 -8.071 -2.063 1.00 5.60 H new ATOM 0 HE2 MET A 195 20.938 -6.814 -1.915 1.00 5.60 H new ATOM 0 HE3 MET A 195 21.374 -7.807 -0.504 1.00 5.60 H new ATOM 1295 N LEU A 196 15.662 -6.923 0.940 1.00 2.98 N ATOM 1296 CA LEU A 196 15.782 -6.191 2.174 1.00 2.89 C ATOM 1297 C LEU A 196 14.627 -6.592 3.061 1.00 2.64 C ATOM 1298 O LEU A 196 13.509 -6.783 2.589 1.00 2.41 O ATOM 1299 CB LEU A 196 15.831 -4.684 1.915 1.00 2.77 C ATOM 1300 CG LEU A 196 14.525 -3.892 2.081 1.00 3.23 C ATOM 1301 CD1 LEU A 196 14.301 -3.501 3.538 1.00 3.64 C ATOM 1302 CD2 LEU A 196 14.548 -2.649 1.208 1.00 3.80 C ATOM 0 H LEU A 196 14.993 -6.522 0.282 1.00 2.98 H new ATOM 0 HA LEU A 196 16.718 -6.433 2.678 1.00 2.89 H new ATOM 0 HB2 LEU A 196 16.574 -4.252 2.585 1.00 2.77 H new ATOM 0 HB3 LEU A 196 16.191 -4.529 0.898 1.00 2.77 H new ATOM 0 HG LEU A 196 13.701 -4.533 1.768 1.00 3.23 H new ATOM 0 HD11 LEU A 196 13.370 -2.942 3.626 1.00 3.64 H new ATOM 0 HD12 LEU A 196 14.243 -4.400 4.151 1.00 3.64 H new ATOM 0 HD13 LEU A 196 15.130 -2.881 3.880 1.00 3.64 H new ATOM 0 HD21 LEU A 196 13.617 -2.097 1.336 1.00 3.80 H new ATOM 0 HD22 LEU A 196 15.387 -2.016 1.498 1.00 3.80 H new ATOM 0 HD23 LEU A 196 14.657 -2.940 0.163 1.00 3.80 H new ATOM 1314 N THR A 197 14.910 -6.766 4.323 1.00 2.86 N ATOM 1315 CA THR A 197 14.001 -7.444 5.205 1.00 2.73 C ATOM 1316 C THR A 197 13.063 -6.484 5.929 1.00 2.44 C ATOM 1317 O THR A 197 13.481 -5.669 6.756 1.00 2.80 O ATOM 1318 CB THR A 197 14.839 -8.281 6.170 1.00 3.34 C ATOM 1319 OG1 THR A 197 15.658 -7.436 6.998 1.00 3.71 O ATOM 1320 CG2 THR A 197 15.734 -9.170 5.328 1.00 3.84 C ATOM 0 H THR A 197 15.771 -6.444 4.766 1.00 2.86 H new ATOM 0 HA THR A 197 13.339 -8.091 4.629 1.00 2.73 H new ATOM 0 HB THR A 197 14.189 -8.865 6.821 1.00 3.34 H new ATOM 0 HG1 THR A 197 15.183 -6.599 7.183 1.00 3.71 H new ATOM 0 HG21 THR A 197 16.352 -9.787 5.981 1.00 3.84 H new ATOM 0 HG22 THR A 197 15.119 -9.812 4.697 1.00 3.84 H new ATOM 0 HG23 THR A 197 16.375 -8.551 4.700 1.00 3.84 H new ATOM 1328 N TRP A 198 11.785 -6.583 5.585 1.00 2.12 N ATOM 1329 CA TRP A 198 10.758 -5.755 6.190 1.00 2.18 C ATOM 1330 C TRP A 198 10.103 -6.518 7.330 1.00 2.10 C ATOM 1331 O TRP A 198 9.603 -7.628 7.135 1.00 1.86 O ATOM 1332 CB TRP A 198 9.699 -5.380 5.149 1.00 2.35 C ATOM 1333 CG TRP A 198 10.192 -5.508 3.743 1.00 2.45 C ATOM 1334 CD1 TRP A 198 10.960 -4.615 3.054 1.00 2.79 C ATOM 1335 CD2 TRP A 198 9.959 -6.608 2.859 1.00 2.74 C ATOM 1336 NE1 TRP A 198 11.228 -5.097 1.796 1.00 2.99 N ATOM 1337 CE2 TRP A 198 10.625 -6.322 1.654 1.00 2.99 C ATOM 1338 CE3 TRP A 198 9.256 -7.812 2.972 1.00 3.25 C ATOM 1339 CZ2 TRP A 198 10.609 -7.194 0.575 1.00 3.56 C ATOM 1340 CZ3 TRP A 198 9.240 -8.675 1.896 1.00 3.96 C ATOM 1341 CH2 TRP A 198 9.915 -8.365 0.711 1.00 4.04 C ATOM 0 H TRP A 198 11.436 -7.236 4.883 1.00 2.12 H new ATOM 0 HA TRP A 198 11.215 -4.842 6.572 1.00 2.18 H new ATOM 0 HB2 TRP A 198 8.825 -6.018 5.281 1.00 2.35 H new ATOM 0 HB3 TRP A 198 9.374 -4.354 5.322 1.00 2.35 H new ATOM 0 HD1 TRP A 198 11.306 -3.668 3.441 1.00 2.79 H new ATOM 0 HE1 TRP A 198 11.784 -4.623 1.084 1.00 2.99 H new ATOM 0 HE3 TRP A 198 8.735 -8.061 3.885 1.00 3.25 H new ATOM 0 HZ2 TRP A 198 11.127 -6.956 -0.342 1.00 3.56 H new ATOM 0 HZ3 TRP A 198 8.697 -9.606 1.970 1.00 3.96 H new ATOM 0 HH2 TRP A 198 9.888 -9.063 -0.112 1.00 4.04 H new ATOM 1352 N PRO A 199 10.119 -5.929 8.535 1.00 2.57 N ATOM 1353 CA PRO A 199 9.515 -6.508 9.740 1.00 2.78 C ATOM 1354 C PRO A 199 8.066 -6.931 9.519 1.00 2.32 C ATOM 1355 O PRO A 199 7.559 -7.839 10.180 1.00 2.35 O ATOM 1356 CB PRO A 199 9.585 -5.368 10.769 1.00 3.36 C ATOM 1357 CG PRO A 199 9.955 -4.151 9.991 1.00 3.70 C ATOM 1358 CD PRO A 199 10.752 -4.644 8.829 1.00 3.21 C ATOM 0 HA PRO A 199 10.034 -7.414 10.053 1.00 2.78 H new ATOM 0 HB2 PRO A 199 8.628 -5.235 11.273 1.00 3.36 H new ATOM 0 HB3 PRO A 199 10.325 -5.581 11.540 1.00 3.36 H new ATOM 0 HG2 PRO A 199 9.067 -3.614 9.658 1.00 3.70 H new ATOM 0 HG3 PRO A 199 10.537 -3.459 10.600 1.00 3.70 H new ATOM 0 HD2 PRO A 199 10.698 -3.961 7.981 1.00 3.21 H new ATOM 0 HD3 PRO A 199 11.807 -4.759 9.079 1.00 3.21 H new ATOM 1366 N SER A 200 7.414 -6.264 8.580 1.00 1.98 N ATOM 1367 CA SER A 200 6.061 -6.561 8.207 1.00 1.64 C ATOM 1368 C SER A 200 5.826 -5.983 6.822 1.00 1.46 C ATOM 1369 O SER A 200 6.650 -5.212 6.332 1.00 1.48 O ATOM 1370 CB SER A 200 5.083 -5.964 9.224 1.00 1.61 C ATOM 1371 OG SER A 200 3.768 -6.473 9.052 1.00 2.22 O ATOM 0 H SER A 200 7.825 -5.492 8.055 1.00 1.98 H new ATOM 0 HA SER A 200 5.896 -7.638 8.194 1.00 1.64 H new ATOM 0 HB2 SER A 200 5.429 -6.184 10.234 1.00 1.61 H new ATOM 0 HB3 SER A 200 5.069 -4.879 9.122 1.00 1.61 H new ATOM 0 HG SER A 200 3.172 -6.072 9.719 1.00 2.22 H new ATOM 1377 N LEU A 201 4.749 -6.369 6.184 1.00 1.48 N ATOM 1378 CA LEU A 201 4.403 -5.817 4.885 1.00 1.53 C ATOM 1379 C LEU A 201 4.142 -4.317 5.018 1.00 1.27 C ATOM 1380 O LEU A 201 4.641 -3.515 4.226 1.00 1.34 O ATOM 1381 CB LEU A 201 3.176 -6.533 4.323 1.00 1.86 C ATOM 1382 CG LEU A 201 3.136 -6.675 2.800 1.00 2.53 C ATOM 1383 CD1 LEU A 201 2.062 -7.668 2.405 1.00 3.12 C ATOM 1384 CD2 LEU A 201 2.878 -5.334 2.135 1.00 3.06 C ATOM 0 H LEU A 201 4.092 -7.064 6.538 1.00 1.48 H new ATOM 0 HA LEU A 201 5.232 -5.967 4.194 1.00 1.53 H new ATOM 0 HB2 LEU A 201 3.124 -7.528 4.765 1.00 1.86 H new ATOM 0 HB3 LEU A 201 2.284 -5.995 4.644 1.00 1.86 H new ATOM 0 HG LEU A 201 4.106 -7.039 2.462 1.00 2.53 H new ATOM 0 HD11 LEU A 201 2.038 -7.765 1.320 1.00 3.12 H new ATOM 0 HD12 LEU A 201 2.281 -8.638 2.851 1.00 3.12 H new ATOM 0 HD13 LEU A 201 1.093 -7.316 2.759 1.00 3.12 H new ATOM 0 HD21 LEU A 201 2.854 -5.463 1.053 1.00 3.06 H new ATOM 0 HD22 LEU A 201 1.921 -4.938 2.474 1.00 3.06 H new ATOM 0 HD23 LEU A 201 3.673 -4.637 2.400 1.00 3.06 H new ATOM 1396 N LEU A 202 3.379 -3.943 6.043 1.00 1.16 N ATOM 1397 CA LEU A 202 3.154 -2.557 6.361 1.00 1.12 C ATOM 1398 C LEU A 202 3.728 -2.280 7.739 1.00 1.18 C ATOM 1399 O LEU A 202 3.448 -3.000 8.701 1.00 1.36 O ATOM 1400 CB LEU A 202 1.658 -2.205 6.298 1.00 1.37 C ATOM 1401 CG LEU A 202 1.032 -2.245 4.902 1.00 2.56 C ATOM 1402 CD1 LEU A 202 1.917 -1.501 3.918 1.00 3.06 C ATOM 1403 CD2 LEU A 202 0.767 -3.670 4.442 1.00 3.24 C ATOM 0 H LEU A 202 2.907 -4.598 6.667 1.00 1.16 H new ATOM 0 HA LEU A 202 3.654 -1.928 5.624 1.00 1.12 H new ATOM 0 HB2 LEU A 202 1.112 -2.895 6.942 1.00 1.37 H new ATOM 0 HB3 LEU A 202 1.520 -1.206 6.711 1.00 1.37 H new ATOM 0 HG LEU A 202 0.064 -1.747 4.948 1.00 2.56 H new ATOM 0 HD11 LEU A 202 1.466 -1.533 2.926 1.00 3.06 H new ATOM 0 HD12 LEU A 202 2.022 -0.464 4.235 1.00 3.06 H new ATOM 0 HD13 LEU A 202 2.900 -1.971 3.885 1.00 3.06 H new ATOM 0 HD21 LEU A 202 0.323 -3.654 3.447 1.00 3.24 H new ATOM 0 HD22 LEU A 202 1.706 -4.223 4.412 1.00 3.24 H new ATOM 0 HD23 LEU A 202 0.082 -4.155 5.138 1.00 3.24 H new ATOM 1415 N VAL A 203 4.538 -1.244 7.821 1.00 1.19 N ATOM 1416 CA VAL A 203 5.336 -0.978 9.007 1.00 1.44 C ATOM 1417 C VAL A 203 5.282 0.482 9.358 1.00 1.43 C ATOM 1418 O VAL A 203 4.892 0.870 10.458 1.00 2.00 O ATOM 1419 CB VAL A 203 6.816 -1.284 8.755 1.00 1.69 C ATOM 1420 CG1 VAL A 203 7.586 -1.297 10.066 1.00 2.05 C ATOM 1421 CG2 VAL A 203 7.003 -2.587 7.994 1.00 2.01 C ATOM 0 H VAL A 203 4.664 -0.563 7.072 1.00 1.19 H new ATOM 0 HA VAL A 203 4.930 -1.605 9.801 1.00 1.44 H new ATOM 0 HB VAL A 203 7.218 -0.489 8.127 1.00 1.69 H new ATOM 0 HG11 VAL A 203 8.636 -1.516 9.869 1.00 2.05 H new ATOM 0 HG12 VAL A 203 7.502 -0.322 10.547 1.00 2.05 H new ATOM 0 HG13 VAL A 203 7.173 -2.062 10.723 1.00 2.05 H new ATOM 0 HG21 VAL A 203 8.066 -2.767 7.836 1.00 2.01 H new ATOM 0 HG22 VAL A 203 6.578 -3.409 8.570 1.00 2.01 H new ATOM 0 HG23 VAL A 203 6.499 -2.521 7.030 1.00 2.01 H new ATOM 1431 N GLU A 204 5.745 1.248 8.383 1.00 1.46 N ATOM 1432 CA GLU A 204 5.876 2.693 8.440 1.00 1.75 C ATOM 1433 C GLU A 204 6.644 3.151 9.687 1.00 2.25 C ATOM 1434 O GLU A 204 6.187 4.078 10.391 1.00 2.80 O ATOM 1435 CB GLU A 204 4.503 3.362 8.310 1.00 2.00 C ATOM 1436 CG GLU A 204 3.585 3.233 9.522 1.00 2.67 C ATOM 1437 CD GLU A 204 2.458 4.240 9.517 1.00 3.03 C ATOM 1438 OE1 GLU A 204 2.579 5.278 10.205 1.00 3.44 O ATOM 1439 OE2 GLU A 204 1.438 4.003 8.838 1.00 3.27 O ATOM 1440 OXT GLU A 204 7.715 2.566 9.960 1.00 2.67 O ATOM 0 H GLU A 204 6.053 0.861 7.491 1.00 1.46 H new ATOM 0 HA GLU A 204 6.476 3.015 7.589 1.00 1.75 H new ATOM 0 HB2 GLU A 204 4.654 4.421 8.103 1.00 2.00 H new ATOM 0 HB3 GLU A 204 3.993 2.938 7.445 1.00 2.00 H new ATOM 0 HG2 GLU A 204 3.166 2.227 9.549 1.00 2.67 H new ATOM 0 HG3 GLU A 204 4.173 3.358 10.431 1.00 2.67 H new TER 1447 GLU A 204