USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 396 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 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 112 THR OG1 : rot 180:sc= -0.402 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -173:sc= -1.72! USER MOD Single : A 99 SER OG : rot -32:sc= 0.264 USER MOD Single : A 103 SER OG : rot 180:sc= 0.0241 USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 CYS SG : rot -26:sc= 0.616 USER MOD Single : A 127 TYR OH : rot -138:sc= 1.01 USER MOD Single : A 128 THR OG1 : rot 170:sc= -0.178 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.32) USER MOD Single : A 136 GLN : amide:sc= -0.498 K(o=-0.5,f=-4!) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0.0865 USER MOD ----------------------------------------------------------------- ATOM 35 N TRP A 92 -2.993 8.978 -3.215 1.00 7.74 N ATOM 36 CA TRP A 92 -3.096 7.794 -2.369 1.00 7.12 C ATOM 37 C TRP A 92 -3.999 8.060 -1.168 1.00 7.81 C ATOM 38 O TRP A 92 -3.757 8.977 -0.384 1.00 8.60 O ATOM 39 CB TRP A 92 -1.709 7.356 -1.894 1.00 6.73 C ATOM 40 CG TRP A 92 -0.814 6.904 -3.008 1.00 6.11 C ATOM 41 CD1 TRP A 92 0.446 7.357 -3.280 1.00 6.47 C ATOM 42 CD2 TRP A 92 -1.108 5.914 -4.003 1.00 5.26 C ATOM 43 NE1 TRP A 92 0.953 6.707 -4.379 1.00 5.95 N ATOM 44 CE2 TRP A 92 0.019 5.818 -4.842 1.00 5.17 C ATOM 45 CE3 TRP A 92 -2.214 5.098 -4.267 1.00 4.81 C ATOM 46 CZ2 TRP A 92 0.072 4.941 -5.922 1.00 4.65 C ATOM 47 CZ3 TRP A 92 -2.159 4.229 -5.339 1.00 4.27 C ATOM 48 CH2 TRP A 92 -1.023 4.156 -6.156 1.00 4.18 C ATOM 0 HA TRP A 92 -3.537 6.993 -2.962 1.00 7.12 H new ATOM 0 HB2 TRP A 92 -1.234 8.185 -1.370 1.00 6.73 H new ATOM 0 HB3 TRP A 92 -1.819 6.545 -1.174 1.00 6.73 H new ATOM 0 HD1 TRP A 92 0.967 8.115 -2.714 1.00 6.47 H new ATOM 0 HE1 TRP A 92 1.876 6.861 -4.785 1.00 5.95 H new ATOM 0 HE3 TRP A 92 -3.095 5.147 -3.644 1.00 4.81 H new ATOM 0 HZ2 TRP A 92 0.947 4.883 -6.553 1.00 4.65 H new ATOM 0 HZ3 TRP A 92 -3.007 3.594 -5.551 1.00 4.27 H new ATOM 0 HH2 TRP A 92 -1.012 3.466 -6.987 1.00 4.18 H new ATOM 59 N LYS A 93 -5.042 7.246 -1.033 1.00 7.67 N ATOM 60 CA LYS A 93 -5.986 7.383 0.070 1.00 8.46 C ATOM 61 C LYS A 93 -6.563 6.025 0.453 1.00 8.08 C ATOM 62 O LYS A 93 -6.338 5.030 -0.237 1.00 7.25 O ATOM 63 CB LYS A 93 -7.115 8.342 -0.312 1.00 9.25 C ATOM 64 CG LYS A 93 -6.952 9.736 0.274 1.00 10.03 C ATOM 65 CD LYS A 93 -7.387 10.809 -0.711 1.00 10.80 C ATOM 66 CE LYS A 93 -7.561 12.154 -0.026 1.00 11.72 C ATOM 67 NZ LYS A 93 -8.343 13.105 -0.861 1.00 12.39 N ATOM 0 H LYS A 93 -5.255 6.483 -1.676 1.00 7.67 H new ATOM 0 HA LYS A 93 -5.452 7.790 0.929 1.00 8.46 H new ATOM 0 HB2 LYS A 93 -7.165 8.417 -1.398 1.00 9.25 H new ATOM 0 HB3 LYS A 93 -8.064 7.924 0.023 1.00 9.25 H new ATOM 0 HG2 LYS A 93 -7.541 9.819 1.187 1.00 10.03 H new ATOM 0 HG3 LYS A 93 -5.910 9.896 0.551 1.00 10.03 H new ATOM 0 HD2 LYS A 93 -6.646 10.897 -1.506 1.00 10.80 H new ATOM 0 HD3 LYS A 93 -8.325 10.514 -1.181 1.00 10.80 H new ATOM 0 HE2 LYS A 93 -8.064 12.012 0.930 1.00 11.72 H new ATOM 0 HE3 LYS A 93 -6.582 12.581 0.190 1.00 11.72 H new ATOM 0 HZ1 LYS A 93 -8.439 14.010 -0.358 1.00 12.39 H new ATOM 0 HZ2 LYS A 93 -7.850 13.261 -1.763 1.00 12.39 H new ATOM 0 HZ3 LYS A 93 -9.287 12.710 -1.046 1.00 12.39 H new ATOM 81 N VAL A 94 -7.309 5.986 1.553 1.00 8.81 N ATOM 82 CA VAL A 94 -7.915 4.744 2.014 1.00 8.73 C ATOM 83 C VAL A 94 -8.894 4.201 0.982 1.00 8.69 C ATOM 84 O VAL A 94 -9.749 4.931 0.478 1.00 9.36 O ATOM 85 CB VAL A 94 -8.651 4.926 3.358 1.00 9.74 C ATOM 86 CG1 VAL A 94 -8.816 3.590 4.061 1.00 9.66 C ATOM 87 CG2 VAL A 94 -7.913 5.916 4.249 1.00 10.15 C ATOM 0 H VAL A 94 -7.507 6.797 2.139 1.00 8.81 H new ATOM 0 HA VAL A 94 -7.101 4.034 2.157 1.00 8.73 H new ATOM 0 HB VAL A 94 -9.642 5.330 3.152 1.00 9.74 H new ATOM 0 HG11 VAL A 94 -9.337 3.738 5.007 1.00 9.66 H new ATOM 0 HG12 VAL A 94 -9.395 2.916 3.430 1.00 9.66 H new ATOM 0 HG13 VAL A 94 -7.835 3.156 4.252 1.00 9.66 H new ATOM 0 HG21 VAL A 94 -8.450 6.028 5.191 1.00 10.15 H new ATOM 0 HG22 VAL A 94 -6.907 5.547 4.447 1.00 10.15 H new ATOM 0 HG23 VAL A 94 -7.853 6.882 3.748 1.00 10.15 H new ATOM 97 N GLY A 95 -8.757 2.919 0.662 1.00 8.04 N ATOM 98 CA GLY A 95 -9.628 2.298 -0.318 1.00 8.20 C ATOM 99 C GLY A 95 -9.200 2.607 -1.738 1.00 7.64 C ATOM 100 O GLY A 95 -9.867 3.363 -2.444 1.00 8.10 O ATOM 0 H GLY A 95 -8.056 2.297 1.065 1.00 8.04 H new ATOM 0 HA2 GLY A 95 -9.631 1.218 -0.167 1.00 8.20 H new ATOM 0 HA3 GLY A 95 -10.650 2.644 -0.165 1.00 8.20 H new ATOM 104 N ASP A 96 -8.082 2.022 -2.156 1.00 6.70 N ATOM 105 CA ASP A 96 -7.559 2.237 -3.499 1.00 6.20 C ATOM 106 C ASP A 96 -6.729 1.042 -3.955 1.00 5.53 C ATOM 107 O ASP A 96 -5.744 0.676 -3.312 1.00 4.92 O ATOM 108 CB ASP A 96 -6.709 3.507 -3.542 1.00 5.87 C ATOM 109 CG ASP A 96 -7.550 4.760 -3.693 1.00 6.35 C ATOM 110 OD1 ASP A 96 -8.252 4.884 -4.720 1.00 6.81 O ATOM 111 OD2 ASP A 96 -7.507 5.618 -2.786 1.00 6.44 O ATOM 0 H ASP A 96 -7.520 1.394 -1.582 1.00 6.70 H new ATOM 0 HA ASP A 96 -8.405 2.352 -4.177 1.00 6.20 H new ATOM 0 HB2 ASP A 96 -6.118 3.577 -2.629 1.00 5.87 H new ATOM 0 HB3 ASP A 96 -6.006 3.442 -4.372 1.00 5.87 H new ATOM 116 N LYS A 97 -7.134 0.435 -5.064 1.00 5.83 N ATOM 117 CA LYS A 97 -6.429 -0.721 -5.606 1.00 5.62 C ATOM 118 C LYS A 97 -5.026 -0.342 -6.062 1.00 4.80 C ATOM 119 O LYS A 97 -4.850 0.290 -7.104 1.00 4.86 O ATOM 120 CB LYS A 97 -7.213 -1.320 -6.775 1.00 6.55 C ATOM 121 CG LYS A 97 -8.292 -2.300 -6.346 1.00 7.39 C ATOM 122 CD LYS A 97 -7.869 -3.739 -6.592 1.00 7.70 C ATOM 123 CE LYS A 97 -7.726 -4.509 -5.289 1.00 8.21 C ATOM 124 NZ LYS A 97 -8.989 -5.201 -4.910 1.00 9.10 N ATOM 0 H LYS A 97 -7.948 0.724 -5.606 1.00 5.83 H new ATOM 0 HA LYS A 97 -6.343 -1.465 -4.814 1.00 5.62 H new ATOM 0 HB2 LYS A 97 -7.673 -0.513 -7.345 1.00 6.55 H new ATOM 0 HB3 LYS A 97 -6.519 -1.827 -7.445 1.00 6.55 H new ATOM 0 HG2 LYS A 97 -8.511 -2.160 -5.288 1.00 7.39 H new ATOM 0 HG3 LYS A 97 -9.212 -2.092 -6.892 1.00 7.39 H new ATOM 0 HD2 LYS A 97 -8.604 -4.232 -7.228 1.00 7.70 H new ATOM 0 HD3 LYS A 97 -6.921 -3.754 -7.130 1.00 7.70 H new ATOM 0 HE2 LYS A 97 -6.926 -5.243 -5.387 1.00 8.21 H new ATOM 0 HE3 LYS A 97 -7.435 -3.824 -4.493 1.00 8.21 H new ATOM 0 HZ1 LYS A 97 -8.849 -5.714 -4.016 1.00 9.10 H new ATOM 0 HZ2 LYS A 97 -9.747 -4.499 -4.791 1.00 9.10 H new ATOM 0 HZ3 LYS A 97 -9.254 -5.874 -5.658 1.00 9.10 H new ATOM 138 N CYS A 98 -4.027 -0.731 -5.275 1.00 4.16 N ATOM 139 CA CYS A 98 -2.637 -0.432 -5.599 1.00 3.60 C ATOM 140 C CYS A 98 -1.822 -1.715 -5.738 1.00 3.78 C ATOM 141 O CYS A 98 -2.377 -2.813 -5.759 1.00 4.46 O ATOM 142 CB CYS A 98 -2.020 0.463 -4.519 1.00 2.97 C ATOM 143 SG CYS A 98 -1.854 -0.338 -2.907 1.00 2.58 S ATOM 0 H CYS A 98 -4.155 -1.254 -4.409 1.00 4.16 H new ATOM 0 HA CYS A 98 -2.618 0.095 -6.553 1.00 3.60 H new ATOM 0 HB2 CYS A 98 -1.036 0.792 -4.853 1.00 2.97 H new ATOM 0 HB3 CYS A 98 -2.634 1.357 -4.408 1.00 2.97 H new ATOM 0 HG CYS A 98 -1.462 0.535 -2.027 1.00 2.58 H new ATOM 149 N SER A 99 -0.505 -1.567 -5.830 1.00 3.54 N ATOM 150 CA SER A 99 0.389 -2.713 -5.964 1.00 4.08 C ATOM 151 C SER A 99 1.622 -2.536 -5.085 1.00 3.73 C ATOM 152 O SER A 99 2.150 -1.431 -4.959 1.00 3.54 O ATOM 153 CB SER A 99 0.808 -2.892 -7.423 1.00 5.02 C ATOM 154 OG SER A 99 0.548 -4.211 -7.871 1.00 5.76 O ATOM 0 H SER A 99 -0.032 -0.664 -5.814 1.00 3.54 H new ATOM 0 HA SER A 99 -0.146 -3.605 -5.638 1.00 4.08 H new ATOM 0 HB2 SER A 99 0.270 -2.180 -8.049 1.00 5.02 H new ATOM 0 HB3 SER A 99 1.870 -2.671 -7.529 1.00 5.02 H new ATOM 0 HG SER A 99 0.646 -4.836 -7.123 1.00 5.76 H new ATOM 160 N ALA A 100 2.076 -3.628 -4.477 1.00 3.97 N ATOM 161 CA ALA A 100 3.249 -3.581 -3.608 1.00 3.95 C ATOM 162 C ALA A 100 4.144 -4.797 -3.818 1.00 4.93 C ATOM 163 O ALA A 100 3.667 -5.882 -4.156 1.00 5.47 O ATOM 164 CB ALA A 100 2.821 -3.485 -2.152 1.00 3.19 C ATOM 0 H ALA A 100 1.653 -4.552 -4.569 1.00 3.97 H new ATOM 0 HA ALA A 100 3.825 -2.693 -3.868 1.00 3.95 H new ATOM 0 HB1 ALA A 100 3.705 -3.451 -1.515 1.00 3.19 H new ATOM 0 HB2 ALA A 100 2.232 -2.580 -2.005 1.00 3.19 H new ATOM 0 HB3 ALA A 100 2.219 -4.356 -1.891 1.00 3.19 H new ATOM 170 N ILE A 101 5.445 -4.608 -3.614 1.00 5.36 N ATOM 171 CA ILE A 101 6.411 -5.687 -3.779 1.00 6.34 C ATOM 172 C ILE A 101 6.465 -6.571 -2.536 1.00 6.26 C ATOM 173 O ILE A 101 6.416 -6.078 -1.409 1.00 5.81 O ATOM 174 CB ILE A 101 7.824 -5.145 -4.066 1.00 7.10 C ATOM 175 CG1 ILE A 101 7.773 -4.059 -5.143 1.00 7.16 C ATOM 176 CG2 ILE A 101 8.750 -6.275 -4.491 1.00 8.16 C ATOM 177 CD1 ILE A 101 8.948 -3.106 -5.098 1.00 7.47 C ATOM 0 H ILE A 101 5.854 -3.716 -3.334 1.00 5.36 H new ATOM 0 HA ILE A 101 6.077 -6.277 -4.632 1.00 6.34 H new ATOM 0 HB ILE A 101 8.217 -4.703 -3.151 1.00 7.10 H new ATOM 0 HG12 ILE A 101 7.738 -4.533 -6.124 1.00 7.16 H new ATOM 0 HG13 ILE A 101 6.850 -3.490 -5.030 1.00 7.16 H new ATOM 0 HG21 ILE A 101 9.744 -5.875 -4.690 1.00 8.16 H new ATOM 0 HG22 ILE A 101 8.810 -7.016 -3.694 1.00 8.16 H new ATOM 0 HG23 ILE A 101 8.360 -6.745 -5.394 1.00 8.16 H new ATOM 0 HD11 ILE A 101 8.845 -2.364 -5.890 1.00 7.47 H new ATOM 0 HD12 ILE A 101 8.973 -2.604 -4.131 1.00 7.47 H new ATOM 0 HD13 ILE A 101 9.874 -3.663 -5.241 1.00 7.47 H new ATOM 189 N TRP A 102 6.564 -7.877 -2.753 1.00 6.86 N ATOM 190 CA TRP A 102 6.626 -8.834 -1.656 1.00 6.96 C ATOM 191 C TRP A 102 8.074 -9.153 -1.296 1.00 7.60 C ATOM 192 O TRP A 102 8.970 -9.041 -2.133 1.00 8.38 O ATOM 193 CB TRP A 102 5.887 -10.120 -2.037 1.00 7.61 C ATOM 194 CG TRP A 102 5.283 -10.845 -0.870 1.00 7.54 C ATOM 195 CD1 TRP A 102 5.211 -10.412 0.425 1.00 6.89 C ATOM 196 CD2 TRP A 102 4.663 -12.136 -0.896 1.00 8.31 C ATOM 197 NE1 TRP A 102 4.585 -11.357 1.203 1.00 7.22 N ATOM 198 CE2 TRP A 102 4.240 -12.423 0.414 1.00 8.10 C ATOM 199 CE3 TRP A 102 4.426 -13.076 -1.902 1.00 9.26 C ATOM 200 CZ2 TRP A 102 3.593 -13.611 0.745 1.00 8.82 C ATOM 201 CZ3 TRP A 102 3.785 -14.254 -1.575 1.00 9.95 C ATOM 202 CH2 TRP A 102 3.374 -14.514 -0.261 1.00 9.73 C ATOM 0 H TRP A 102 6.603 -8.298 -3.681 1.00 6.86 H new ATOM 0 HA TRP A 102 6.144 -8.388 -0.786 1.00 6.96 H new ATOM 0 HB2 TRP A 102 5.098 -9.876 -2.748 1.00 7.61 H new ATOM 0 HB3 TRP A 102 6.581 -10.788 -2.547 1.00 7.61 H new ATOM 0 HD1 TRP A 102 5.590 -9.467 0.784 1.00 6.89 H new ATOM 0 HE1 TRP A 102 4.406 -11.278 2.204 1.00 7.22 H new ATOM 0 HE3 TRP A 102 4.739 -12.884 -2.918 1.00 9.26 H new ATOM 0 HZ2 TRP A 102 3.276 -13.813 1.757 1.00 8.82 H new ATOM 0 HZ3 TRP A 102 3.597 -14.988 -2.345 1.00 9.95 H new ATOM 0 HH2 TRP A 102 2.875 -15.445 -0.037 1.00 9.73 H new ATOM 213 N SER A 103 8.295 -9.553 -0.048 1.00 7.36 N ATOM 214 CA SER A 103 9.635 -9.890 0.421 1.00 8.04 C ATOM 215 C SER A 103 9.829 -11.401 0.462 1.00 8.76 C ATOM 216 O SER A 103 10.787 -11.897 1.057 1.00 9.24 O ATOM 217 CB SER A 103 9.880 -9.292 1.807 1.00 7.63 C ATOM 218 OG SER A 103 8.687 -9.271 2.573 1.00 7.51 O ATOM 0 H SER A 103 7.564 -9.652 0.657 1.00 7.36 H new ATOM 0 HA SER A 103 10.356 -9.468 -0.279 1.00 8.04 H new ATOM 0 HB2 SER A 103 10.640 -9.874 2.328 1.00 7.63 H new ATOM 0 HB3 SER A 103 10.268 -8.279 1.706 1.00 7.63 H new ATOM 0 HG SER A 103 8.871 -8.886 3.455 1.00 7.51 H new ATOM 224 N GLU A 104 8.915 -12.127 -0.175 1.00 8.96 N ATOM 225 CA GLU A 104 8.986 -13.583 -0.212 1.00 9.78 C ATOM 226 C GLU A 104 9.674 -14.061 -1.488 1.00 10.72 C ATOM 227 O GLU A 104 10.397 -15.058 -1.478 1.00 11.50 O ATOM 228 CB GLU A 104 7.583 -14.186 -0.118 1.00 9.65 C ATOM 229 CG GLU A 104 7.360 -15.013 1.137 1.00 9.77 C ATOM 230 CD GLU A 104 6.649 -16.323 0.855 1.00 10.55 C ATOM 231 OE1 GLU A 104 5.960 -16.414 -0.183 1.00 10.99 O ATOM 232 OE2 GLU A 104 6.782 -17.259 1.673 1.00 10.87 O ATOM 0 H GLU A 104 8.117 -11.731 -0.672 1.00 8.96 H new ATOM 0 HA GLU A 104 9.574 -13.916 0.643 1.00 9.78 H new ATOM 0 HB2 GLU A 104 6.848 -13.382 -0.149 1.00 9.65 H new ATOM 0 HB3 GLU A 104 7.406 -14.813 -0.992 1.00 9.65 H new ATOM 0 HG2 GLU A 104 8.322 -15.220 1.607 1.00 9.77 H new ATOM 0 HG3 GLU A 104 6.775 -14.433 1.851 1.00 9.77 H new ATOM 239 N ASP A 105 9.443 -13.343 -2.583 1.00 10.68 N ATOM 240 CA ASP A 105 10.039 -13.692 -3.868 1.00 11.61 C ATOM 241 C ASP A 105 10.513 -12.444 -4.606 1.00 11.51 C ATOM 242 O ASP A 105 11.166 -12.537 -5.644 1.00 12.31 O ATOM 243 CB ASP A 105 9.034 -14.458 -4.730 1.00 12.02 C ATOM 244 CG ASP A 105 9.588 -15.777 -5.233 1.00 12.58 C ATOM 245 OD1 ASP A 105 10.823 -15.877 -5.394 1.00 12.80 O ATOM 246 OD2 ASP A 105 8.789 -16.707 -5.467 1.00 12.93 O ATOM 0 H ASP A 105 8.847 -12.516 -2.606 1.00 10.68 H new ATOM 0 HA ASP A 105 10.903 -14.329 -3.677 1.00 11.61 H new ATOM 0 HB2 ASP A 105 8.130 -14.645 -4.150 1.00 12.02 H new ATOM 0 HB3 ASP A 105 8.745 -13.841 -5.581 1.00 12.02 H new ATOM 251 N GLY A 106 10.179 -11.279 -4.061 1.00 10.59 N ATOM 252 CA GLY A 106 10.579 -10.027 -4.679 1.00 10.51 C ATOM 253 C GLY A 106 9.865 -9.769 -5.991 1.00 10.58 C ATOM 254 O GLY A 106 10.498 -9.684 -7.044 1.00 11.27 O ATOM 0 H GLY A 106 9.638 -11.179 -3.202 1.00 10.59 H new ATOM 0 HA2 GLY A 106 10.376 -9.206 -3.992 1.00 10.51 H new ATOM 0 HA3 GLY A 106 11.655 -10.039 -4.852 1.00 10.51 H new ATOM 258 N CYS A 107 8.545 -9.643 -5.928 1.00 9.96 N ATOM 259 CA CYS A 107 7.740 -9.389 -7.118 1.00 10.08 C ATOM 260 C CYS A 107 6.551 -8.496 -6.784 1.00 9.03 C ATOM 261 O CYS A 107 6.192 -8.335 -5.617 1.00 8.22 O ATOM 262 CB CYS A 107 7.251 -10.707 -7.721 1.00 10.82 C ATOM 263 SG CYS A 107 7.772 -10.974 -9.432 1.00 12.07 S ATOM 0 H CYS A 107 8.008 -9.713 -5.064 1.00 9.96 H new ATOM 0 HA CYS A 107 8.365 -8.876 -7.849 1.00 10.08 H new ATOM 0 HB2 CYS A 107 7.615 -11.532 -7.109 1.00 10.82 H new ATOM 0 HB3 CYS A 107 6.162 -10.733 -7.676 1.00 10.82 H new ATOM 0 HG CYS A 107 7.312 -12.115 -9.853 1.00 12.07 H new ATOM 269 N ILE A 108 5.941 -7.919 -7.813 1.00 9.09 N ATOM 270 CA ILE A 108 4.790 -7.046 -7.627 1.00 8.18 C ATOM 271 C ILE A 108 3.492 -7.845 -7.648 1.00 8.20 C ATOM 272 O ILE A 108 3.285 -8.690 -8.519 1.00 9.05 O ATOM 273 CB ILE A 108 4.732 -5.950 -8.710 1.00 8.31 C ATOM 274 CG1 ILE A 108 6.014 -5.112 -8.682 1.00 8.80 C ATOM 275 CG2 ILE A 108 3.510 -5.066 -8.509 1.00 7.33 C ATOM 276 CD1 ILE A 108 6.260 -4.339 -9.959 1.00 9.51 C ATOM 0 H ILE A 108 6.225 -8.041 -8.785 1.00 9.09 H new ATOM 0 HA ILE A 108 4.904 -6.570 -6.653 1.00 8.18 H new ATOM 0 HB ILE A 108 4.650 -6.428 -9.686 1.00 8.31 H new ATOM 0 HG12 ILE A 108 5.963 -4.412 -7.848 1.00 8.80 H new ATOM 0 HG13 ILE A 108 6.864 -5.769 -8.495 1.00 8.80 H new ATOM 0 HG21 ILE A 108 3.485 -4.298 -9.282 1.00 7.33 H new ATOM 0 HG22 ILE A 108 2.607 -5.673 -8.572 1.00 7.33 H new ATOM 0 HG23 ILE A 108 3.561 -4.592 -7.529 1.00 7.33 H new ATOM 0 HD11 ILE A 108 7.184 -3.769 -9.867 1.00 9.51 H new ATOM 0 HD12 ILE A 108 6.344 -5.034 -10.795 1.00 9.51 H new ATOM 0 HD13 ILE A 108 5.429 -3.656 -10.137 1.00 9.51 H new ATOM 288 N TYR A 109 2.621 -7.574 -6.681 1.00 7.40 N ATOM 289 CA TYR A 109 1.344 -8.267 -6.585 1.00 7.58 C ATOM 290 C TYR A 109 0.223 -7.298 -6.211 1.00 6.75 C ATOM 291 O TYR A 109 0.469 -6.267 -5.582 1.00 5.79 O ATOM 292 CB TYR A 109 1.430 -9.393 -5.550 1.00 7.78 C ATOM 293 CG TYR A 109 2.305 -10.549 -5.984 1.00 8.74 C ATOM 294 CD1 TYR A 109 2.039 -11.244 -7.158 1.00 9.44 C ATOM 295 CD2 TYR A 109 3.396 -10.943 -5.221 1.00 9.05 C ATOM 296 CE1 TYR A 109 2.836 -12.299 -7.557 1.00 10.35 C ATOM 297 CE2 TYR A 109 4.200 -11.997 -5.615 1.00 9.98 C ATOM 298 CZ TYR A 109 3.915 -12.671 -6.784 1.00 10.60 C ATOM 299 OH TYR A 109 4.712 -13.720 -7.179 1.00 11.54 O ATOM 0 H TYR A 109 2.778 -6.878 -5.952 1.00 7.40 H new ATOM 0 HA TYR A 109 1.116 -8.695 -7.561 1.00 7.58 H new ATOM 0 HB2 TYR A 109 1.816 -8.987 -4.615 1.00 7.78 H new ATOM 0 HB3 TYR A 109 0.426 -9.765 -5.346 1.00 7.78 H new ATOM 0 HD1 TYR A 109 1.196 -10.954 -7.768 1.00 9.44 H new ATOM 0 HD2 TYR A 109 3.621 -10.418 -4.305 1.00 9.05 H new ATOM 0 HE1 TYR A 109 2.615 -12.830 -8.471 1.00 10.35 H new ATOM 0 HE2 TYR A 109 5.046 -12.290 -5.011 1.00 9.98 H new ATOM 0 HH TYR A 109 5.429 -13.851 -6.523 1.00 11.54 H new ATOM 309 N PRO A 110 -1.030 -7.614 -6.598 1.00 7.22 N ATOM 310 CA PRO A 110 -2.186 -6.762 -6.301 1.00 6.71 C ATOM 311 C PRO A 110 -2.354 -6.517 -4.806 1.00 6.03 C ATOM 312 O PRO A 110 -2.102 -7.403 -3.990 1.00 6.34 O ATOM 313 CB PRO A 110 -3.378 -7.557 -6.843 1.00 7.77 C ATOM 314 CG PRO A 110 -2.796 -8.492 -7.847 1.00 8.66 C ATOM 315 CD PRO A 110 -1.415 -8.820 -7.356 1.00 8.42 C ATOM 0 HA PRO A 110 -2.081 -5.773 -6.748 1.00 6.71 H new ATOM 0 HB2 PRO A 110 -3.885 -8.100 -6.046 1.00 7.77 H new ATOM 0 HB3 PRO A 110 -4.117 -6.898 -7.299 1.00 7.77 H new ATOM 0 HG2 PRO A 110 -3.402 -9.393 -7.938 1.00 8.66 H new ATOM 0 HG3 PRO A 110 -2.760 -8.031 -8.834 1.00 8.66 H new ATOM 0 HD2 PRO A 110 -1.413 -9.709 -6.726 1.00 8.42 H new ATOM 0 HD3 PRO A 110 -0.730 -9.012 -8.181 1.00 8.42 H new ATOM 323 N ALA A 111 -2.778 -5.307 -4.455 1.00 5.22 N ATOM 324 CA ALA A 111 -2.978 -4.944 -3.058 1.00 4.71 C ATOM 325 C ALA A 111 -4.082 -3.903 -2.913 1.00 4.65 C ATOM 326 O ALA A 111 -4.537 -3.325 -3.901 1.00 4.72 O ATOM 327 CB ALA A 111 -1.682 -4.426 -2.456 1.00 3.76 C ATOM 0 H ALA A 111 -2.989 -4.562 -5.119 1.00 5.22 H new ATOM 0 HA ALA A 111 -3.285 -5.839 -2.518 1.00 4.71 H new ATOM 0 HB1 ALA A 111 -1.847 -4.159 -1.412 1.00 3.76 H new ATOM 0 HB2 ALA A 111 -0.918 -5.201 -2.516 1.00 3.76 H new ATOM 0 HB3 ALA A 111 -1.351 -3.546 -3.008 1.00 3.76 H new ATOM 333 N THR A 112 -4.506 -3.667 -1.676 1.00 4.78 N ATOM 334 CA THR A 112 -5.554 -2.692 -1.400 1.00 5.14 C ATOM 335 C THR A 112 -5.208 -1.845 -0.180 1.00 4.91 C ATOM 336 O THR A 112 -5.000 -2.369 0.915 1.00 5.15 O ATOM 337 CB THR A 112 -6.915 -3.376 -1.168 1.00 6.32 C ATOM 338 OG1 THR A 112 -7.167 -4.330 -2.205 1.00 6.81 O ATOM 339 CG2 THR A 112 -8.037 -2.347 -1.134 1.00 6.83 C ATOM 0 H THR A 112 -4.140 -4.138 -0.849 1.00 4.78 H new ATOM 0 HA THR A 112 -5.626 -2.050 -2.278 1.00 5.14 H new ATOM 0 HB THR A 112 -6.882 -3.887 -0.206 1.00 6.32 H new ATOM 0 HG1 THR A 112 -8.033 -4.761 -2.049 1.00 6.81 H new ATOM 0 HG21 THR A 112 -8.989 -2.852 -0.969 1.00 6.83 H new ATOM 0 HG22 THR A 112 -7.857 -1.639 -0.325 1.00 6.83 H new ATOM 0 HG23 THR A 112 -8.069 -1.813 -2.083 1.00 6.83 H new ATOM 347 N ILE A 113 -5.146 -0.534 -0.380 1.00 4.70 N ATOM 348 CA ILE A 113 -4.824 0.393 0.697 1.00 4.93 C ATOM 349 C ILE A 113 -5.903 0.380 1.776 1.00 6.00 C ATOM 350 O ILE A 113 -6.988 0.928 1.590 1.00 6.70 O ATOM 351 CB ILE A 113 -4.655 1.829 0.162 1.00 4.99 C ATOM 352 CG1 ILE A 113 -3.477 1.893 -0.813 1.00 4.08 C ATOM 353 CG2 ILE A 113 -4.453 2.807 1.308 1.00 5.66 C ATOM 354 CD1 ILE A 113 -3.630 2.953 -1.880 1.00 4.34 C ATOM 0 H ILE A 113 -5.315 -0.088 -1.282 1.00 4.70 H new ATOM 0 HA ILE A 113 -3.881 0.063 1.134 1.00 4.93 H new ATOM 0 HB ILE A 113 -5.564 2.111 -0.370 1.00 4.99 H new ATOM 0 HG12 ILE A 113 -2.562 2.084 -0.252 1.00 4.08 H new ATOM 0 HG13 ILE A 113 -3.360 0.921 -1.293 1.00 4.08 H new ATOM 0 HG21 ILE A 113 -4.336 3.815 0.910 1.00 5.66 H new ATOM 0 HG22 ILE A 113 -5.319 2.777 1.969 1.00 5.66 H new ATOM 0 HG23 ILE A 113 -3.559 2.532 1.868 1.00 5.66 H new ATOM 0 HD11 ILE A 113 -2.758 2.940 -2.534 1.00 4.34 H new ATOM 0 HD12 ILE A 113 -4.526 2.752 -2.467 1.00 4.34 H new ATOM 0 HD13 ILE A 113 -3.716 3.933 -1.410 1.00 4.34 H new ATOM 366 N ALA A 114 -5.599 -0.259 2.901 1.00 6.19 N ATOM 367 CA ALA A 114 -6.546 -0.351 4.008 1.00 7.25 C ATOM 368 C ALA A 114 -6.391 0.815 4.977 1.00 7.83 C ATOM 369 O ALA A 114 -7.379 1.340 5.490 1.00 8.77 O ATOM 370 CB ALA A 114 -6.371 -1.673 4.740 1.00 7.35 C ATOM 0 H ALA A 114 -4.705 -0.721 3.071 1.00 6.19 H new ATOM 0 HA ALA A 114 -7.552 -0.303 3.591 1.00 7.25 H new ATOM 0 HB1 ALA A 114 -7.083 -1.730 5.564 1.00 7.35 H new ATOM 0 HB2 ALA A 114 -6.548 -2.498 4.049 1.00 7.35 H new ATOM 0 HB3 ALA A 114 -5.356 -1.740 5.132 1.00 7.35 H new ATOM 376 N SER A 115 -5.150 1.216 5.233 1.00 7.42 N ATOM 377 CA SER A 115 -4.879 2.318 6.147 1.00 8.19 C ATOM 378 C SER A 115 -3.586 3.028 5.768 1.00 7.84 C ATOM 379 O SER A 115 -2.644 2.404 5.278 1.00 6.96 O ATOM 380 CB SER A 115 -4.791 1.805 7.585 1.00 8.69 C ATOM 381 OG SER A 115 -3.531 1.208 7.838 1.00 9.20 O ATOM 0 H SER A 115 -4.318 0.795 4.821 1.00 7.42 H new ATOM 0 HA SER A 115 -5.700 3.031 6.074 1.00 8.19 H new ATOM 0 HB2 SER A 115 -4.952 2.630 8.279 1.00 8.69 H new ATOM 0 HB3 SER A 115 -5.584 1.079 7.764 1.00 8.69 H new ATOM 0 HG SER A 115 -3.500 0.890 8.764 1.00 9.20 H new ATOM 387 N ILE A 116 -3.544 4.335 6.000 1.00 8.68 N ATOM 388 CA ILE A 116 -2.362 5.129 5.682 1.00 8.72 C ATOM 389 C ILE A 116 -1.977 6.033 6.845 1.00 9.82 C ATOM 390 O ILE A 116 -2.839 6.546 7.559 1.00 10.64 O ATOM 391 CB ILE A 116 -2.587 6.009 4.437 1.00 8.70 C ATOM 392 CG1 ILE A 116 -2.983 5.157 3.233 1.00 7.65 C ATOM 393 CG2 ILE A 116 -1.336 6.820 4.124 1.00 8.99 C ATOM 394 CD1 ILE A 116 -3.365 5.980 2.022 1.00 7.79 C ATOM 0 H ILE A 116 -4.313 4.867 6.407 1.00 8.68 H new ATOM 0 HA ILE A 116 -1.558 4.420 5.483 1.00 8.72 H new ATOM 0 HB ILE A 116 -3.404 6.698 4.652 1.00 8.70 H new ATOM 0 HG12 ILE A 116 -2.153 4.501 2.971 1.00 7.65 H new ATOM 0 HG13 ILE A 116 -3.821 4.517 3.509 1.00 7.65 H new ATOM 0 HG21 ILE A 116 -1.513 7.436 3.242 1.00 8.99 H new ATOM 0 HG22 ILE A 116 -1.097 7.461 4.972 1.00 8.99 H new ATOM 0 HG23 ILE A 116 -0.502 6.144 3.934 1.00 8.99 H new ATOM 0 HD11 ILE A 116 -3.636 5.316 1.201 1.00 7.79 H new ATOM 0 HD12 ILE A 116 -4.214 6.617 2.268 1.00 7.79 H new ATOM 0 HD13 ILE A 116 -2.520 6.601 1.723 1.00 7.79 H new ATOM 406 N ASP A 117 -0.678 6.236 7.017 1.00 9.92 N ATOM 407 CA ASP A 117 -0.170 7.095 8.077 1.00 11.01 C ATOM 408 C ASP A 117 0.786 8.131 7.495 1.00 11.42 C ATOM 409 O ASP A 117 1.629 7.808 6.659 1.00 11.09 O ATOM 410 CB ASP A 117 0.536 6.265 9.150 1.00 11.04 C ATOM 411 CG ASP A 117 -0.367 5.951 10.328 1.00 11.32 C ATOM 412 OD1 ASP A 117 -1.317 6.726 10.571 1.00 11.44 O ATOM 413 OD2 ASP A 117 -0.127 4.930 11.006 1.00 11.56 O ATOM 0 H ASP A 117 0.045 5.816 6.434 1.00 9.92 H new ATOM 0 HA ASP A 117 -1.011 7.611 8.541 1.00 11.01 H new ATOM 0 HB2 ASP A 117 0.891 5.333 8.709 1.00 11.04 H new ATOM 0 HB3 ASP A 117 1.414 6.805 9.503 1.00 11.04 H new ATOM 418 N PHE A 118 0.647 9.377 7.936 1.00 12.23 N ATOM 419 CA PHE A 118 1.498 10.455 7.445 1.00 12.79 C ATOM 420 C PHE A 118 2.617 10.765 8.433 1.00 13.61 C ATOM 421 O PHE A 118 3.393 11.699 8.232 1.00 14.24 O ATOM 422 CB PHE A 118 0.663 11.712 7.176 1.00 13.45 C ATOM 423 CG PHE A 118 -0.316 11.572 6.035 1.00 12.78 C ATOM 424 CD1 PHE A 118 -0.281 10.455 5.213 1.00 12.56 C ATOM 425 CD2 PHE A 118 -1.266 12.552 5.781 1.00 12.45 C ATOM 426 CE1 PHE A 118 -1.173 10.320 4.165 1.00 12.01 C ATOM 427 CE2 PHE A 118 -2.159 12.421 4.735 1.00 11.89 C ATOM 428 CZ PHE A 118 -2.126 11.324 3.935 1.00 11.67 C ATOM 0 H PHE A 118 -0.044 9.665 8.629 1.00 12.23 H new ATOM 0 HA PHE A 118 1.953 10.127 6.511 1.00 12.79 H new ATOM 0 HB2 PHE A 118 0.114 11.971 8.081 1.00 13.45 H new ATOM 0 HB3 PHE A 118 1.336 12.543 6.963 1.00 13.45 H new ATOM 0 HD1 PHE A 118 0.451 9.682 5.394 1.00 12.56 H new ATOM 0 HD2 PHE A 118 -1.308 13.429 6.410 1.00 12.45 H new ATOM 0 HE1 PHE A 118 -1.136 9.448 3.528 1.00 12.01 H new ATOM 0 HE2 PHE A 118 -2.888 13.196 4.552 1.00 11.89 H new ATOM 0 HZ PHE A 118 -2.832 11.225 3.124 1.00 11.67 H new ATOM 438 N LYS A 119 2.699 9.970 9.495 1.00 13.66 N ATOM 439 CA LYS A 119 3.730 10.157 10.509 1.00 14.45 C ATOM 440 C LYS A 119 5.105 9.813 9.944 1.00 14.19 C ATOM 441 O LYS A 119 5.924 10.698 9.698 1.00 14.83 O ATOM 442 CB LYS A 119 3.434 9.288 11.733 1.00 14.52 C ATOM 443 CG LYS A 119 2.485 9.938 12.727 1.00 15.42 C ATOM 444 CD LYS A 119 2.333 9.098 13.985 1.00 16.01 C ATOM 445 CE LYS A 119 3.581 9.158 14.850 1.00 16.53 C ATOM 446 NZ LYS A 119 3.393 8.447 16.145 1.00 16.87 N ATOM 0 H LYS A 119 2.065 9.192 9.675 1.00 13.66 H new ATOM 0 HA LYS A 119 3.729 11.204 10.811 1.00 14.45 H new ATOM 0 HB2 LYS A 119 3.007 8.342 11.401 1.00 14.52 H new ATOM 0 HB3 LYS A 119 4.372 9.055 12.238 1.00 14.52 H new ATOM 0 HG2 LYS A 119 2.857 10.928 12.992 1.00 15.42 H new ATOM 0 HG3 LYS A 119 1.509 10.078 12.262 1.00 15.42 H new ATOM 0 HD2 LYS A 119 1.475 9.451 14.558 1.00 16.01 H new ATOM 0 HD3 LYS A 119 2.129 8.063 13.710 1.00 16.01 H new ATOM 0 HE2 LYS A 119 4.418 8.715 14.311 1.00 16.53 H new ATOM 0 HE3 LYS A 119 3.840 10.199 15.042 1.00 16.53 H new ATOM 0 HZ1 LYS A 119 4.266 8.511 16.706 1.00 16.87 H new ATOM 0 HZ2 LYS A 119 2.611 8.885 16.671 1.00 16.87 H new ATOM 0 HZ3 LYS A 119 3.171 7.447 15.963 1.00 16.87 H new ATOM 460 N ARG A 120 5.348 8.521 9.738 1.00 13.31 N ATOM 461 CA ARG A 120 6.620 8.058 9.196 1.00 13.08 C ATOM 462 C ARG A 120 6.475 7.682 7.726 1.00 12.15 C ATOM 463 O ARG A 120 7.248 6.879 7.200 1.00 11.68 O ATOM 464 CB ARG A 120 7.131 6.858 9.996 1.00 12.82 C ATOM 465 CG ARG A 120 7.975 7.245 11.200 1.00 13.39 C ATOM 466 CD ARG A 120 8.874 6.103 11.641 1.00 13.47 C ATOM 467 NE ARG A 120 8.432 5.515 12.902 1.00 14.06 N ATOM 468 CZ ARG A 120 8.579 4.229 13.211 1.00 14.44 C ATOM 469 NH1 ARG A 120 9.158 3.399 12.353 1.00 14.31 N ATOM 470 NH2 ARG A 120 8.145 3.773 14.377 1.00 15.09 N ATOM 0 H ARG A 120 4.680 7.777 9.939 1.00 13.31 H new ATOM 0 HA ARG A 120 7.342 8.871 9.276 1.00 13.08 H new ATOM 0 HB2 ARG A 120 6.279 6.268 10.334 1.00 12.82 H new ATOM 0 HB3 ARG A 120 7.721 6.219 9.339 1.00 12.82 H new ATOM 0 HG2 ARG A 120 8.584 8.115 10.954 1.00 13.39 H new ATOM 0 HG3 ARG A 120 7.323 7.535 12.024 1.00 13.39 H new ATOM 0 HD2 ARG A 120 8.889 5.334 10.868 1.00 13.47 H new ATOM 0 HD3 ARG A 120 9.896 6.467 11.749 1.00 13.47 H new ATOM 0 HE ARG A 120 7.985 6.125 13.586 1.00 14.06 H new ATOM 0 HH11 ARG A 120 9.492 3.746 11.454 1.00 14.31 H new ATOM 0 HH12 ARG A 120 9.269 2.414 12.593 1.00 14.31 H new ATOM 0 HH21 ARG A 120 7.698 4.408 15.038 1.00 15.09 H new ATOM 0 HH22 ARG A 120 8.258 2.787 14.613 1.00 15.09 H new ATOM 484 N GLU A 121 5.478 8.272 7.071 1.00 11.98 N ATOM 485 CA GLU A 121 5.221 8.013 5.658 1.00 11.15 C ATOM 486 C GLU A 121 5.151 6.514 5.376 1.00 10.00 C ATOM 487 O GLU A 121 6.037 5.951 4.733 1.00 9.65 O ATOM 488 CB GLU A 121 6.307 8.656 4.796 1.00 11.64 C ATOM 489 CG GLU A 121 5.818 9.846 3.989 1.00 12.24 C ATOM 490 CD GLU A 121 6.952 10.715 3.480 1.00 13.04 C ATOM 491 OE1 GLU A 121 8.122 10.399 3.781 1.00 13.22 O ATOM 492 OE2 GLU A 121 6.671 11.713 2.782 1.00 13.61 O ATOM 0 H GLU A 121 4.833 8.936 7.499 1.00 11.98 H new ATOM 0 HA GLU A 121 4.256 8.453 5.406 1.00 11.15 H new ATOM 0 HB2 GLU A 121 7.127 8.976 5.439 1.00 11.64 H new ATOM 0 HB3 GLU A 121 6.710 7.906 4.115 1.00 11.64 H new ATOM 0 HG2 GLU A 121 5.231 9.489 3.143 1.00 12.24 H new ATOM 0 HG3 GLU A 121 5.152 10.449 4.606 1.00 12.24 H new ATOM 499 N THR A 122 4.091 5.874 5.861 1.00 9.51 N ATOM 500 CA THR A 122 3.906 4.440 5.660 1.00 8.44 C ATOM 501 C THR A 122 2.446 4.106 5.375 1.00 7.82 C ATOM 502 O THR A 122 1.583 4.983 5.403 1.00 8.35 O ATOM 503 CB THR A 122 4.372 3.636 6.889 1.00 8.64 C ATOM 504 OG1 THR A 122 3.767 4.159 8.076 1.00 9.57 O ATOM 505 CG2 THR A 122 5.887 3.682 7.023 1.00 8.95 C ATOM 0 H THR A 122 3.348 6.325 6.395 1.00 9.51 H new ATOM 0 HA THR A 122 4.514 4.162 4.799 1.00 8.44 H new ATOM 0 HB THR A 122 4.066 2.599 6.754 1.00 8.64 H new ATOM 0 HG1 THR A 122 4.067 3.641 8.852 1.00 9.57 H new ATOM 0 HG21 THR A 122 6.193 3.108 7.898 1.00 8.95 H new ATOM 0 HG22 THR A 122 6.344 3.255 6.130 1.00 8.95 H new ATOM 0 HG23 THR A 122 6.211 4.716 7.137 1.00 8.95 H new ATOM 513 N CYS A 123 2.177 2.833 5.101 1.00 6.82 N ATOM 514 CA CYS A 123 0.821 2.382 4.811 1.00 6.32 C ATOM 515 C CYS A 123 0.711 0.866 4.936 1.00 5.48 C ATOM 516 O CYS A 123 1.718 0.169 5.052 1.00 5.04 O ATOM 517 CB CYS A 123 0.404 2.819 3.406 1.00 5.96 C ATOM 518 SG CYS A 123 1.431 2.132 2.085 1.00 5.05 S ATOM 0 H CYS A 123 2.881 2.095 5.074 1.00 6.82 H new ATOM 0 HA CYS A 123 0.152 2.838 5.540 1.00 6.32 H new ATOM 0 HB2 CYS A 123 -0.632 2.524 3.237 1.00 5.96 H new ATOM 0 HB3 CYS A 123 0.438 3.907 3.350 1.00 5.96 H new ATOM 0 HG CYS A 123 2.616 1.867 2.550 1.00 5.05 H new ATOM 524 N VAL A 124 -0.520 0.364 4.911 1.00 5.51 N ATOM 525 CA VAL A 124 -0.768 -1.069 5.020 1.00 5.03 C ATOM 526 C VAL A 124 -1.599 -1.572 3.844 1.00 4.47 C ATOM 527 O VAL A 124 -2.763 -1.202 3.690 1.00 4.86 O ATOM 528 CB VAL A 124 -1.491 -1.416 6.336 1.00 5.88 C ATOM 529 CG1 VAL A 124 -1.874 -2.888 6.373 1.00 5.71 C ATOM 530 CG2 VAL A 124 -0.621 -1.056 7.531 1.00 6.50 C ATOM 0 H VAL A 124 -1.363 0.930 4.816 1.00 5.51 H new ATOM 0 HA VAL A 124 0.204 -1.562 5.011 1.00 5.03 H new ATOM 0 HB VAL A 124 -2.408 -0.829 6.387 1.00 5.88 H new ATOM 0 HG11 VAL A 124 -2.383 -3.108 7.312 1.00 5.71 H new ATOM 0 HG12 VAL A 124 -2.539 -3.112 5.539 1.00 5.71 H new ATOM 0 HG13 VAL A 124 -0.975 -3.500 6.295 1.00 5.71 H new ATOM 0 HG21 VAL A 124 -1.146 -1.307 8.452 1.00 6.50 H new ATOM 0 HG22 VAL A 124 0.314 -1.615 7.482 1.00 6.50 H new ATOM 0 HG23 VAL A 124 -0.406 0.012 7.516 1.00 6.50 H new ATOM 540 N VAL A 125 -0.992 -2.420 3.018 1.00 3.79 N ATOM 541 CA VAL A 125 -1.678 -2.975 1.858 1.00 3.55 C ATOM 542 C VAL A 125 -2.068 -4.430 2.090 1.00 4.11 C ATOM 543 O VAL A 125 -1.343 -5.184 2.739 1.00 4.19 O ATOM 544 CB VAL A 125 -0.808 -2.886 0.587 1.00 2.74 C ATOM 545 CG1 VAL A 125 -0.425 -1.444 0.298 1.00 2.53 C ATOM 546 CG2 VAL A 125 0.432 -3.755 0.722 1.00 2.61 C ATOM 0 H VAL A 125 -0.029 -2.736 3.131 1.00 3.79 H new ATOM 0 HA VAL A 125 -2.579 -2.378 1.714 1.00 3.55 H new ATOM 0 HB VAL A 125 -1.394 -3.258 -0.253 1.00 2.74 H new ATOM 0 HG11 VAL A 125 0.188 -1.404 -0.602 1.00 2.53 H new ATOM 0 HG12 VAL A 125 -1.327 -0.851 0.149 1.00 2.53 H new ATOM 0 HG13 VAL A 125 0.139 -1.042 1.139 1.00 2.53 H new ATOM 0 HG21 VAL A 125 1.031 -3.677 -0.185 1.00 2.61 H new ATOM 0 HG22 VAL A 125 1.021 -3.419 1.576 1.00 2.61 H new ATOM 0 HG23 VAL A 125 0.134 -4.793 0.873 1.00 2.61 H new ATOM 556 N VAL A 126 -3.216 -4.818 1.546 1.00 4.74 N ATOM 557 CA VAL A 126 -3.706 -6.183 1.679 1.00 5.60 C ATOM 558 C VAL A 126 -3.592 -6.915 0.348 1.00 5.78 C ATOM 559 O VAL A 126 -4.089 -6.441 -0.673 1.00 5.73 O ATOM 560 CB VAL A 126 -5.171 -6.215 2.155 1.00 6.59 C ATOM 561 CG1 VAL A 126 -5.581 -7.629 2.537 1.00 7.53 C ATOM 562 CG2 VAL A 126 -5.376 -5.261 3.321 1.00 6.75 C ATOM 0 H VAL A 126 -3.826 -4.203 1.007 1.00 4.74 H new ATOM 0 HA VAL A 126 -3.090 -6.681 2.428 1.00 5.60 H new ATOM 0 HB VAL A 126 -5.806 -5.888 1.331 1.00 6.59 H new ATOM 0 HG11 VAL A 126 -6.619 -7.629 2.870 1.00 7.53 H new ATOM 0 HG12 VAL A 126 -5.477 -8.284 1.672 1.00 7.53 H new ATOM 0 HG13 VAL A 126 -4.941 -7.988 3.343 1.00 7.53 H new ATOM 0 HG21 VAL A 126 -6.417 -5.298 3.643 1.00 6.75 H new ATOM 0 HG22 VAL A 126 -4.730 -5.554 4.149 1.00 6.75 H new ATOM 0 HG23 VAL A 126 -5.129 -4.246 3.009 1.00 6.75 H new ATOM 572 N TYR A 127 -2.932 -8.069 0.360 1.00 6.19 N ATOM 573 CA TYR A 127 -2.753 -8.852 -0.858 1.00 6.72 C ATOM 574 C TYR A 127 -4.062 -9.503 -1.290 1.00 7.79 C ATOM 575 O TYR A 127 -4.585 -10.387 -0.614 1.00 8.59 O ATOM 576 CB TYR A 127 -1.677 -9.917 -0.647 1.00 7.03 C ATOM 577 CG TYR A 127 -0.275 -9.352 -0.556 1.00 6.28 C ATOM 578 CD1 TYR A 127 0.217 -8.494 -1.534 1.00 6.38 C ATOM 579 CD2 TYR A 127 0.558 -9.679 0.507 1.00 5.71 C ATOM 580 CE1 TYR A 127 1.497 -7.980 -1.455 1.00 5.99 C ATOM 581 CE2 TYR A 127 1.840 -9.166 0.594 1.00 5.23 C ATOM 582 CZ TYR A 127 2.303 -8.319 -0.390 1.00 5.42 C ATOM 583 OH TYR A 127 3.578 -7.809 -0.308 1.00 5.31 O ATOM 0 H TYR A 127 -2.514 -8.481 1.194 1.00 6.19 H new ATOM 0 HA TYR A 127 -2.434 -8.176 -1.651 1.00 6.72 H new ATOM 0 HB2 TYR A 127 -1.898 -10.468 0.267 1.00 7.03 H new ATOM 0 HB3 TYR A 127 -1.719 -10.632 -1.469 1.00 7.03 H new ATOM 0 HD1 TYR A 127 -0.412 -8.225 -2.369 1.00 6.38 H new ATOM 0 HD2 TYR A 127 0.199 -10.345 1.278 1.00 5.71 H new ATOM 0 HE1 TYR A 127 1.864 -7.316 -2.224 1.00 5.99 H new ATOM 0 HE2 TYR A 127 2.474 -9.428 1.428 1.00 5.23 H new ATOM 0 HH TYR A 127 4.194 -8.514 -0.018 1.00 5.31 H new ATOM 593 N THR A 128 -4.585 -9.046 -2.424 1.00 7.86 N ATOM 594 CA THR A 128 -5.837 -9.565 -2.963 1.00 8.91 C ATOM 595 C THR A 128 -5.734 -11.052 -3.298 1.00 9.91 C ATOM 596 O THR A 128 -5.235 -11.422 -4.362 1.00 10.27 O ATOM 597 CB THR A 128 -6.250 -8.798 -4.234 1.00 8.84 C ATOM 598 OG1 THR A 128 -5.485 -7.591 -4.348 1.00 7.77 O ATOM 599 CG2 THR A 128 -7.732 -8.459 -4.209 1.00 9.50 C ATOM 0 H THR A 128 -4.158 -8.313 -2.990 1.00 7.86 H new ATOM 0 HA THR A 128 -6.592 -9.428 -2.189 1.00 8.91 H new ATOM 0 HB THR A 128 -6.055 -9.438 -5.094 1.00 8.84 H new ATOM 0 HG1 THR A 128 -5.633 -7.192 -5.231 1.00 7.77 H new ATOM 0 HG21 THR A 128 -7.997 -7.918 -5.117 1.00 9.50 H new ATOM 0 HG22 THR A 128 -8.315 -9.378 -4.151 1.00 9.50 H new ATOM 0 HG23 THR A 128 -7.948 -7.837 -3.340 1.00 9.50 H new ATOM 607 N GLY A 129 -6.217 -11.898 -2.392 1.00 10.49 N ATOM 608 CA GLY A 129 -6.179 -13.332 -2.622 1.00 11.51 C ATOM 609 C GLY A 129 -5.290 -14.072 -1.641 1.00 11.53 C ATOM 610 O GLY A 129 -5.257 -15.304 -1.637 1.00 12.41 O ATOM 0 H GLY A 129 -6.633 -11.617 -1.504 1.00 10.49 H new ATOM 0 HA2 GLY A 129 -7.191 -13.731 -2.557 1.00 11.51 H new ATOM 0 HA3 GLY A 129 -5.826 -13.521 -3.636 1.00 11.51 H new ATOM 614 N TYR A 130 -4.566 -13.331 -0.809 1.00 10.62 N ATOM 615 CA TYR A 130 -3.675 -13.941 0.174 1.00 10.62 C ATOM 616 C TYR A 130 -4.192 -13.728 1.594 1.00 10.60 C ATOM 617 O TYR A 130 -3.873 -14.495 2.502 1.00 11.27 O ATOM 618 CB TYR A 130 -2.264 -13.363 0.043 1.00 9.73 C ATOM 619 CG TYR A 130 -1.576 -13.733 -1.252 1.00 10.03 C ATOM 620 CD1 TYR A 130 -1.821 -13.021 -2.420 1.00 9.83 C ATOM 621 CD2 TYR A 130 -0.680 -14.793 -1.307 1.00 10.64 C ATOM 622 CE1 TYR A 130 -1.196 -13.358 -3.605 1.00 10.27 C ATOM 623 CE2 TYR A 130 -0.049 -15.134 -2.488 1.00 11.09 C ATOM 624 CZ TYR A 130 -0.308 -14.414 -3.633 1.00 10.92 C ATOM 625 OH TYR A 130 0.316 -14.750 -4.812 1.00 11.49 O ATOM 0 H TYR A 130 -4.578 -12.311 -0.795 1.00 10.62 H new ATOM 0 HA TYR A 130 -3.644 -15.013 -0.023 1.00 10.62 H new ATOM 0 HB2 TYR A 130 -2.317 -12.277 0.119 1.00 9.73 H new ATOM 0 HB3 TYR A 130 -1.658 -13.712 0.879 1.00 9.73 H new ATOM 0 HD1 TYR A 130 -2.511 -12.191 -2.401 1.00 9.83 H new ATOM 0 HD2 TYR A 130 -0.473 -15.360 -0.412 1.00 10.64 H new ATOM 0 HE1 TYR A 130 -1.401 -12.798 -4.505 1.00 10.27 H new ATOM 0 HE2 TYR A 130 0.644 -15.962 -2.513 1.00 11.09 H new ATOM 0 HH TYR A 130 0.910 -15.514 -4.661 1.00 11.49 H new ATOM 635 N GLY A 131 -4.996 -12.685 1.776 1.00 9.97 N ATOM 636 CA GLY A 131 -5.546 -12.393 3.089 1.00 10.07 C ATOM 637 C GLY A 131 -4.476 -12.031 4.103 1.00 9.30 C ATOM 638 O GLY A 131 -4.606 -12.343 5.287 1.00 9.47 O ATOM 0 H GLY A 131 -5.277 -12.037 1.040 1.00 9.97 H new ATOM 0 HA2 GLY A 131 -6.256 -11.570 3.006 1.00 10.07 H new ATOM 0 HA3 GLY A 131 -6.102 -13.260 3.447 1.00 10.07 H new ATOM 642 N ASN A 132 -3.422 -11.371 3.638 1.00 8.58 N ATOM 643 CA ASN A 132 -2.325 -10.964 4.511 1.00 7.89 C ATOM 644 C ASN A 132 -2.076 -9.463 4.395 1.00 6.95 C ATOM 645 O ASN A 132 -2.375 -8.856 3.367 1.00 6.64 O ATOM 646 CB ASN A 132 -1.053 -11.736 4.157 1.00 7.85 C ATOM 647 CG ASN A 132 0.147 -11.277 4.962 1.00 7.69 C ATOM 648 OD1 ASN A 132 0.193 -11.445 6.180 1.00 7.99 O ATOM 649 ND2 ASN A 132 1.128 -10.696 4.281 1.00 7.49 N ATOM 0 H ASN A 132 -3.303 -11.106 2.660 1.00 8.58 H new ATOM 0 HA ASN A 132 -2.602 -11.192 5.540 1.00 7.89 H new ATOM 0 HB2 ASN A 132 -1.217 -12.800 4.330 1.00 7.85 H new ATOM 0 HB3 ASN A 132 -0.842 -11.615 3.095 1.00 7.85 H new ATOM 0 HD21 ASN A 132 1.962 -10.368 4.768 1.00 7.49 H new ATOM 0 HD22 ASN A 132 1.047 -10.577 3.271 1.00 7.49 H new ATOM 656 N ARG A 133 -1.533 -8.866 5.453 1.00 6.59 N ATOM 657 CA ARG A 133 -1.255 -7.434 5.457 1.00 5.87 C ATOM 658 C ARG A 133 0.237 -7.161 5.626 1.00 5.31 C ATOM 659 O ARG A 133 0.864 -7.639 6.572 1.00 5.65 O ATOM 660 CB ARG A 133 -2.037 -6.748 6.579 1.00 6.37 C ATOM 661 CG ARG A 133 -3.504 -6.528 6.250 1.00 6.55 C ATOM 662 CD ARG A 133 -4.330 -7.773 6.526 1.00 7.46 C ATOM 663 NE ARG A 133 -5.734 -7.455 6.769 1.00 7.96 N ATOM 664 CZ ARG A 133 -6.533 -8.182 7.544 1.00 8.74 C ATOM 665 NH1 ARG A 133 -6.067 -9.267 8.151 1.00 9.12 N ATOM 666 NH2 ARG A 133 -7.798 -7.826 7.717 1.00 9.35 N ATOM 0 H ARG A 133 -1.278 -9.350 6.314 1.00 6.59 H new ATOM 0 HA ARG A 133 -1.570 -7.029 4.495 1.00 5.87 H new ATOM 0 HB2 ARG A 133 -1.962 -7.351 7.484 1.00 6.37 H new ATOM 0 HB3 ARG A 133 -1.574 -5.786 6.798 1.00 6.37 H new ATOM 0 HG2 ARG A 133 -3.889 -5.696 6.840 1.00 6.55 H new ATOM 0 HG3 ARG A 133 -3.605 -6.249 5.201 1.00 6.55 H new ATOM 0 HD2 ARG A 133 -4.254 -8.454 5.678 1.00 7.46 H new ATOM 0 HD3 ARG A 133 -3.921 -8.295 7.391 1.00 7.46 H new ATOM 0 HE ARG A 133 -6.124 -6.627 6.318 1.00 7.96 H new ATOM 0 HH11 ARG A 133 -5.094 -9.545 8.023 1.00 9.12 H new ATOM 0 HH12 ARG A 133 -6.682 -9.823 8.745 1.00 9.12 H new ATOM 0 HH21 ARG A 133 -8.161 -6.992 7.255 1.00 9.35 H new ATOM 0 HH22 ARG A 133 -8.409 -8.386 8.312 1.00 9.35 H new ATOM 680 N GLU A 134 0.796 -6.383 4.705 1.00 4.60 N ATOM 681 CA GLU A 134 2.212 -6.035 4.749 1.00 4.37 C ATOM 682 C GLU A 134 2.395 -4.520 4.666 1.00 4.10 C ATOM 683 O GLU A 134 1.792 -3.856 3.822 1.00 3.69 O ATOM 684 CB GLU A 134 2.967 -6.728 3.608 1.00 4.32 C ATOM 685 CG GLU A 134 2.686 -6.140 2.236 1.00 4.69 C ATOM 686 CD GLU A 134 3.907 -5.481 1.619 1.00 5.28 C ATOM 687 OE1 GLU A 134 4.974 -5.477 2.270 1.00 5.81 O ATOM 688 OE2 GLU A 134 3.797 -4.970 0.485 1.00 5.49 O ATOM 0 H GLU A 134 0.289 -5.980 3.917 1.00 4.60 H new ATOM 0 HA GLU A 134 2.623 -6.380 5.698 1.00 4.37 H new ATOM 0 HB2 GLU A 134 4.037 -6.669 3.805 1.00 4.32 H new ATOM 0 HB3 GLU A 134 2.702 -7.785 3.600 1.00 4.32 H new ATOM 0 HG2 GLU A 134 2.330 -6.929 1.573 1.00 4.69 H new ATOM 0 HG3 GLU A 134 1.884 -5.406 2.317 1.00 4.69 H new ATOM 695 N GLU A 135 3.219 -3.976 5.556 1.00 4.58 N ATOM 696 CA GLU A 135 3.467 -2.540 5.587 1.00 4.87 C ATOM 697 C GLU A 135 4.442 -2.124 4.490 1.00 4.79 C ATOM 698 O GLU A 135 5.526 -2.695 4.357 1.00 5.09 O ATOM 699 CB GLU A 135 4.015 -2.126 6.954 1.00 5.81 C ATOM 700 CG GLU A 135 4.082 -0.621 7.153 1.00 6.48 C ATOM 701 CD GLU A 135 4.413 -0.235 8.581 1.00 7.38 C ATOM 702 OE1 GLU A 135 4.043 -0.994 9.502 1.00 7.86 O ATOM 703 OE2 GLU A 135 5.042 0.824 8.781 1.00 7.78 O ATOM 0 H GLU A 135 3.725 -4.508 6.264 1.00 4.58 H new ATOM 0 HA GLU A 135 2.518 -2.033 5.411 1.00 4.87 H new ATOM 0 HB2 GLU A 135 3.388 -2.559 7.734 1.00 5.81 H new ATOM 0 HB3 GLU A 135 5.014 -2.545 7.078 1.00 5.81 H new ATOM 0 HG2 GLU A 135 4.834 -0.203 6.484 1.00 6.48 H new ATOM 0 HG3 GLU A 135 3.126 -0.179 6.873 1.00 6.48 H new ATOM 710 N GLN A 136 4.051 -1.118 3.712 1.00 4.64 N ATOM 711 CA GLN A 136 4.887 -0.616 2.629 1.00 4.84 C ATOM 712 C GLN A 136 4.990 0.905 2.688 1.00 5.56 C ATOM 713 O GLN A 136 4.255 1.557 3.429 1.00 5.86 O ATOM 714 CB GLN A 136 4.323 -1.051 1.277 1.00 4.04 C ATOM 715 CG GLN A 136 5.382 -1.202 0.196 1.00 4.34 C ATOM 716 CD GLN A 136 6.198 -2.471 0.351 1.00 4.37 C ATOM 717 OE1 GLN A 136 6.656 -2.800 1.445 1.00 4.53 O ATOM 718 NE2 GLN A 136 6.383 -3.193 -0.748 1.00 4.63 N ATOM 0 H GLN A 136 3.158 -0.635 3.813 1.00 4.64 H new ATOM 0 HA GLN A 136 5.886 -1.036 2.746 1.00 4.84 H new ATOM 0 HB2 GLN A 136 3.802 -2.001 1.399 1.00 4.04 H new ATOM 0 HB3 GLN A 136 3.583 -0.321 0.949 1.00 4.04 H new ATOM 0 HG2 GLN A 136 4.900 -1.202 -0.782 1.00 4.34 H new ATOM 0 HG3 GLN A 136 6.049 -0.340 0.223 1.00 4.34 H new ATOM 0 HE21 GLN A 136 5.985 -2.883 -1.635 1.00 4.63 H new ATOM 0 HE22 GLN A 136 6.923 -4.057 -0.705 1.00 4.63 H new ATOM 727 N ASN A 137 5.910 1.464 1.908 1.00 6.06 N ATOM 728 CA ASN A 137 6.110 2.909 1.877 1.00 6.90 C ATOM 729 C ASN A 137 5.254 3.561 0.796 1.00 6.54 C ATOM 730 O ASN A 137 5.209 3.092 -0.340 1.00 5.95 O ATOM 731 CB ASN A 137 7.585 3.234 1.639 1.00 7.87 C ATOM 732 CG ASN A 137 8.410 3.137 2.907 1.00 8.40 C ATOM 733 OD1 ASN A 137 8.777 2.044 3.342 1.00 8.92 O ATOM 734 ND2 ASN A 137 8.706 4.283 3.509 1.00 8.47 N ATOM 0 H ASN A 137 6.528 0.939 1.289 1.00 6.06 H new ATOM 0 HA ASN A 137 5.805 3.310 2.843 1.00 6.90 H new ATOM 0 HB2 ASN A 137 7.989 2.550 0.893 1.00 7.87 H new ATOM 0 HB3 ASN A 137 7.671 4.240 1.229 1.00 7.87 H new ATOM 0 HD21 ASN A 137 9.258 4.281 4.367 1.00 8.47 H new ATOM 0 HD22 ASN A 137 8.381 5.165 3.114 1.00 8.47 H new ATOM 741 N LEU A 138 4.577 4.646 1.164 1.00 7.04 N ATOM 742 CA LEU A 138 3.719 5.367 0.231 1.00 6.90 C ATOM 743 C LEU A 138 4.495 5.801 -1.008 1.00 7.16 C ATOM 744 O LEU A 138 4.035 5.621 -2.136 1.00 6.67 O ATOM 745 CB LEU A 138 3.107 6.593 0.913 1.00 7.77 C ATOM 746 CG LEU A 138 2.018 6.288 1.941 1.00 7.75 C ATOM 747 CD1 LEU A 138 1.920 7.411 2.962 1.00 8.95 C ATOM 748 CD2 LEU A 138 0.680 6.075 1.250 1.00 7.32 C ATOM 0 H LEU A 138 4.607 5.044 2.103 1.00 7.04 H new ATOM 0 HA LEU A 138 2.922 4.692 -0.081 1.00 6.90 H new ATOM 0 HB2 LEU A 138 3.904 7.151 1.405 1.00 7.77 H new ATOM 0 HB3 LEU A 138 2.688 7.245 0.146 1.00 7.77 H new ATOM 0 HG LEU A 138 2.284 5.370 2.465 1.00 7.75 H new ATOM 0 HD11 LEU A 138 1.140 7.177 3.686 1.00 8.95 H new ATOM 0 HD12 LEU A 138 2.874 7.518 3.478 1.00 8.95 H new ATOM 0 HD13 LEU A 138 1.676 8.344 2.454 1.00 8.95 H new ATOM 0 HD21 LEU A 138 -0.085 5.859 1.996 1.00 7.32 H new ATOM 0 HD22 LEU A 138 0.407 6.976 0.701 1.00 7.32 H new ATOM 0 HD23 LEU A 138 0.758 5.237 0.557 1.00 7.32 H new ATOM 760 N SER A 139 5.675 6.376 -0.791 1.00 8.07 N ATOM 761 CA SER A 139 6.514 6.835 -1.891 1.00 8.59 C ATOM 762 C SER A 139 7.015 5.658 -2.721 1.00 8.04 C ATOM 763 O SER A 139 7.514 5.836 -3.832 1.00 8.40 O ATOM 764 CB SER A 139 7.700 7.640 -1.355 1.00 9.76 C ATOM 765 OG SER A 139 7.438 9.031 -1.407 1.00 10.26 O ATOM 0 H SER A 139 6.070 6.534 0.136 1.00 8.07 H new ATOM 0 HA SER A 139 5.910 7.477 -2.532 1.00 8.59 H new ATOM 0 HB2 SER A 139 7.909 7.344 -0.327 1.00 9.76 H new ATOM 0 HB3 SER A 139 8.592 7.413 -1.939 1.00 9.76 H new ATOM 0 HG SER A 139 8.210 9.523 -1.057 1.00 10.26 H new ATOM 771 N ASP A 140 6.879 4.455 -2.170 1.00 7.28 N ATOM 772 CA ASP A 140 7.318 3.244 -2.857 1.00 6.90 C ATOM 773 C ASP A 140 6.127 2.470 -3.416 1.00 5.82 C ATOM 774 O ASP A 140 6.291 1.393 -3.989 1.00 5.53 O ATOM 775 CB ASP A 140 8.112 2.354 -1.901 1.00 6.97 C ATOM 776 CG ASP A 140 9.538 2.130 -2.368 1.00 7.80 C ATOM 777 OD1 ASP A 140 10.190 3.113 -2.778 1.00 8.30 O ATOM 778 OD2 ASP A 140 10.003 0.971 -2.323 1.00 8.12 O ATOM 0 H ASP A 140 6.469 4.293 -1.250 1.00 7.28 H new ATOM 0 HA ASP A 140 7.958 3.540 -3.688 1.00 6.90 H new ATOM 0 HB2 ASP A 140 8.124 2.810 -0.911 1.00 6.97 H new ATOM 0 HB3 ASP A 140 7.609 1.392 -1.803 1.00 6.97 H new ATOM 783 N LEU A 141 4.931 3.026 -3.248 1.00 5.41 N ATOM 784 CA LEU A 141 3.715 2.385 -3.736 1.00 4.46 C ATOM 785 C LEU A 141 3.689 2.364 -5.260 1.00 4.72 C ATOM 786 O LEU A 141 4.193 3.278 -5.913 1.00 5.47 O ATOM 787 CB LEU A 141 2.476 3.109 -3.200 1.00 4.23 C ATOM 788 CG LEU A 141 2.052 2.715 -1.783 1.00 3.96 C ATOM 789 CD1 LEU A 141 0.799 3.473 -1.372 1.00 4.31 C ATOM 790 CD2 LEU A 141 1.821 1.214 -1.687 1.00 3.01 C ATOM 0 H LEU A 141 4.778 3.918 -2.778 1.00 5.41 H new ATOM 0 HA LEU A 141 3.706 1.357 -3.375 1.00 4.46 H new ATOM 0 HB2 LEU A 141 2.665 4.182 -3.220 1.00 4.23 H new ATOM 0 HB3 LEU A 141 1.643 2.919 -3.877 1.00 4.23 H new ATOM 0 HG LEU A 141 2.858 2.981 -1.099 1.00 3.96 H new ATOM 0 HD11 LEU A 141 0.512 3.181 -0.362 1.00 4.31 H new ATOM 0 HD12 LEU A 141 0.997 4.545 -1.397 1.00 4.31 H new ATOM 0 HD13 LEU A 141 -0.011 3.238 -2.062 1.00 4.31 H new ATOM 0 HD21 LEU A 141 1.521 0.956 -0.671 1.00 3.01 H new ATOM 0 HD22 LEU A 141 1.035 0.922 -2.383 1.00 3.01 H new ATOM 0 HD23 LEU A 141 2.742 0.687 -1.938 1.00 3.01 H new ATOM 802 N LEU A 142 3.099 1.314 -5.823 1.00 4.30 N ATOM 803 CA LEU A 142 3.008 1.172 -7.270 1.00 4.79 C ATOM 804 C LEU A 142 1.557 1.245 -7.737 1.00 4.37 C ATOM 805 O LEU A 142 0.646 0.818 -7.030 1.00 3.72 O ATOM 806 CB LEU A 142 3.632 -0.154 -7.711 1.00 5.32 C ATOM 807 CG LEU A 142 4.886 -0.568 -6.939 1.00 5.88 C ATOM 808 CD1 LEU A 142 4.978 -2.082 -6.847 1.00 6.01 C ATOM 809 CD2 LEU A 142 6.131 0.006 -7.599 1.00 6.92 C ATOM 0 H LEU A 142 2.677 0.549 -5.297 1.00 4.30 H new ATOM 0 HA LEU A 142 3.557 1.996 -7.726 1.00 4.79 H new ATOM 0 HB2 LEU A 142 2.885 -0.941 -7.609 1.00 5.32 H new ATOM 0 HB3 LEU A 142 3.882 -0.086 -8.770 1.00 5.32 H new ATOM 0 HG LEU A 142 4.818 -0.167 -5.928 1.00 5.88 H new ATOM 0 HD11 LEU A 142 5.876 -2.359 -6.295 1.00 6.01 H new ATOM 0 HD12 LEU A 142 4.100 -2.469 -6.330 1.00 6.01 H new ATOM 0 HD13 LEU A 142 5.024 -2.505 -7.850 1.00 6.01 H new ATOM 0 HD21 LEU A 142 7.014 -0.298 -7.037 1.00 6.92 H new ATOM 0 HD22 LEU A 142 6.205 -0.366 -8.621 1.00 6.92 H new ATOM 0 HD23 LEU A 142 6.067 1.094 -7.613 1.00 6.92 H new ATOM 821 N SER A 143 1.353 1.792 -8.930 1.00 4.93 N ATOM 822 CA SER A 143 0.014 1.924 -9.495 1.00 4.89 C ATOM 823 C SER A 143 -0.557 0.553 -9.863 1.00 5.19 C ATOM 824 O SER A 143 0.191 -0.406 -10.052 1.00 5.64 O ATOM 825 CB SER A 143 0.046 2.829 -10.729 1.00 5.50 C ATOM 826 OG SER A 143 1.288 2.727 -11.405 1.00 6.07 O ATOM 0 H SER A 143 2.099 2.152 -9.526 1.00 4.93 H new ATOM 0 HA SER A 143 -0.632 2.375 -8.742 1.00 4.89 H new ATOM 0 HB2 SER A 143 -0.763 2.555 -11.406 1.00 5.50 H new ATOM 0 HB3 SER A 143 -0.125 3.863 -10.430 1.00 5.50 H new ATOM 0 HG SER A 143 1.282 3.313 -12.190 1.00 6.07 H new ATOM 832 N PRO A 144 -1.896 0.441 -9.968 1.00 5.25 N ATOM 833 CA PRO A 144 -2.561 -0.821 -10.313 1.00 5.91 C ATOM 834 C PRO A 144 -2.071 -1.396 -11.639 1.00 6.73 C ATOM 835 O PRO A 144 -1.253 -2.317 -11.662 1.00 7.04 O ATOM 836 CB PRO A 144 -4.047 -0.442 -10.405 1.00 6.05 C ATOM 837 CG PRO A 144 -4.067 1.045 -10.516 1.00 5.71 C ATOM 838 CD PRO A 144 -2.867 1.527 -9.758 1.00 5.04 C ATOM 0 HA PRO A 144 -2.356 -1.597 -9.575 1.00 5.91 H new ATOM 0 HB2 PRO A 144 -4.519 -0.908 -11.270 1.00 6.05 H new ATOM 0 HB3 PRO A 144 -4.594 -0.778 -9.524 1.00 6.05 H new ATOM 0 HG2 PRO A 144 -4.023 1.360 -11.559 1.00 5.71 H new ATOM 0 HG3 PRO A 144 -4.985 1.456 -10.097 1.00 5.71 H new ATOM 0 HD2 PRO A 144 -2.500 2.479 -10.143 1.00 5.04 H new ATOM 0 HD3 PRO A 144 -3.088 1.674 -8.701 1.00 5.04 H new