USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 482 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 111 ASN : amide:sc= -2.97! C(o=-4.1!,f=-8.1!) USER MOD Set 1.2: A 114 LYS NZ :NH3+ -105:sc= -1.13 (180deg=-2.54!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 175:sc= 0.383 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.52) USER MOD Single : A 128 MET CE :methyl -151:sc= -0.407 (180deg=-2.29) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.822 X(o=-0.82,f=-0.53) USER MOD Single : A 137 ASN : amide:sc= -0.619 X(o=-0.62,f=-0.49) USER MOD Single : A 140 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.5) USER MOD Single : A 144 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 27:sc= 0.268 USER MOD Single : A 157 LYS NZ :NH3+ 149:sc= -0.822 (180deg=-2.54!) USER MOD Single : A 160 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 105 8.029 10.305 -6.327 1.00 0.00 N ATOM 67 CA PHE A 105 7.436 8.976 -6.233 1.00 0.00 C ATOM 68 C PHE A 105 6.945 8.698 -4.815 1.00 0.00 C ATOM 69 O PHE A 105 5.918 8.047 -4.618 1.00 0.00 O ATOM 70 CB PHE A 105 8.452 7.910 -6.651 1.00 0.00 C ATOM 71 CG PHE A 105 8.214 6.572 -6.012 1.00 0.00 C ATOM 72 CD1 PHE A 105 7.307 5.679 -6.561 1.00 0.00 C ATOM 73 CD2 PHE A 105 8.897 6.206 -4.864 1.00 0.00 C ATOM 74 CE1 PHE A 105 7.085 4.447 -5.975 1.00 0.00 C ATOM 75 CE2 PHE A 105 8.680 4.975 -4.274 1.00 0.00 C ATOM 76 CZ PHE A 105 7.773 4.094 -4.831 1.00 0.00 C ATOM 0 HA PHE A 105 6.581 8.939 -6.908 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.423 7.797 -7.735 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.454 8.254 -6.394 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.768 5.949 -7.457 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.608 6.891 -4.425 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.374 3.761 -6.411 1.00 0.00 H new ATOM 0 HE2 PHE A 105 9.219 4.702 -3.379 1.00 0.00 H new ATOM 0 HZ PHE A 105 7.602 3.131 -4.373 1.00 0.00 H new ATOM 86 N LEU A 106 7.686 9.195 -3.831 1.00 0.00 N ATOM 87 CA LEU A 106 7.327 9.001 -2.431 1.00 0.00 C ATOM 88 C LEU A 106 6.080 9.803 -2.071 1.00 0.00 C ATOM 89 O LEU A 106 5.150 9.283 -1.454 1.00 0.00 O ATOM 90 CB LEU A 106 8.489 9.410 -1.524 1.00 0.00 C ATOM 91 CG LEU A 106 9.670 8.441 -1.468 1.00 0.00 C ATOM 92 CD1 LEU A 106 10.926 9.156 -0.994 1.00 0.00 C ATOM 93 CD2 LEU A 106 9.350 7.263 -0.560 1.00 0.00 C ATOM 0 H LEU A 106 8.539 9.735 -3.977 1.00 0.00 H new ATOM 0 HA LEU A 106 7.112 7.943 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.857 10.381 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.105 9.542 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 106 9.851 8.061 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.756 8.450 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.166 9.966 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.758 9.565 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.202 6.583 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.142 7.626 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.477 6.735 -0.943 1.00 0.00 H new ATOM 105 N THR A 107 6.067 11.073 -2.464 1.00 0.00 N ATOM 106 CA THR A 107 4.934 11.947 -2.184 1.00 0.00 C ATOM 107 C THR A 107 3.689 11.491 -2.936 1.00 0.00 C ATOM 108 O THR A 107 2.602 11.415 -2.365 1.00 0.00 O ATOM 109 CB THR A 107 5.244 13.407 -2.565 1.00 0.00 C ATOM 110 OG1 THR A 107 6.461 13.829 -1.940 1.00 0.00 O ATOM 111 CG2 THR A 107 4.108 14.328 -2.148 1.00 0.00 C ATOM 0 H THR A 107 6.828 11.519 -2.977 1.00 0.00 H new ATOM 0 HA THR A 107 4.748 11.890 -1.111 1.00 0.00 H new ATOM 0 HB THR A 107 5.355 13.461 -3.648 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.652 14.758 -2.189 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.350 15.353 -2.427 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.189 14.022 -2.649 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.970 14.269 -1.068 1.00 0.00 H new ATOM 119 N GLU A 108 3.856 11.189 -4.220 1.00 0.00 N ATOM 120 CA GLU A 108 2.744 10.740 -5.050 1.00 0.00 C ATOM 121 C GLU A 108 2.241 9.374 -4.593 1.00 0.00 C ATOM 122 O GLU A 108 1.043 9.094 -4.637 1.00 0.00 O ATOM 123 CB GLU A 108 3.168 10.675 -6.518 1.00 0.00 C ATOM 124 CG GLU A 108 3.162 12.026 -7.214 1.00 0.00 C ATOM 125 CD GLU A 108 3.481 11.922 -8.693 1.00 0.00 C ATOM 126 OE1 GLU A 108 2.540 11.732 -9.492 1.00 0.00 O ATOM 127 OE2 GLU A 108 4.673 12.031 -9.051 1.00 0.00 O ATOM 0 H GLU A 108 4.750 11.247 -4.708 1.00 0.00 H new ATOM 0 HA GLU A 108 1.932 11.460 -4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.169 10.248 -6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.500 9.998 -7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.184 12.491 -7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.890 12.681 -6.734 1.00 0.00 H new ATOM 134 N PHE A 109 3.166 8.526 -4.155 1.00 0.00 N ATOM 135 CA PHE A 109 2.818 7.188 -3.691 1.00 0.00 C ATOM 136 C PHE A 109 2.051 7.251 -2.374 1.00 0.00 C ATOM 137 O PHE A 109 1.042 6.568 -2.197 1.00 0.00 O ATOM 138 CB PHE A 109 4.080 6.340 -3.520 1.00 0.00 C ATOM 139 CG PHE A 109 3.848 5.066 -2.759 1.00 0.00 C ATOM 140 CD1 PHE A 109 2.947 4.121 -3.223 1.00 0.00 C ATOM 141 CD2 PHE A 109 4.531 4.814 -1.580 1.00 0.00 C ATOM 142 CE1 PHE A 109 2.731 2.949 -2.524 1.00 0.00 C ATOM 143 CE2 PHE A 109 4.319 3.643 -0.877 1.00 0.00 C ATOM 144 CZ PHE A 109 3.419 2.708 -1.350 1.00 0.00 C ATOM 0 H PHE A 109 4.162 8.742 -4.112 1.00 0.00 H new ATOM 0 HA PHE A 109 2.177 6.726 -4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 109 4.481 6.098 -4.504 1.00 0.00 H new ATOM 0 HB3 PHE A 109 4.837 6.930 -3.003 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.408 4.303 -4.141 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.237 5.541 -1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.025 2.221 -2.895 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.857 3.459 0.041 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.253 1.791 -0.804 1.00 0.00 H new ATOM 154 N ILE A 110 2.538 8.075 -1.452 1.00 0.00 N ATOM 155 CA ILE A 110 1.899 8.228 -0.151 1.00 0.00 C ATOM 156 C ILE A 110 0.524 8.875 -0.286 1.00 0.00 C ATOM 157 O ILE A 110 -0.435 8.458 0.361 1.00 0.00 O ATOM 158 CB ILE A 110 2.761 9.076 0.803 1.00 0.00 C ATOM 159 CG1 ILE A 110 4.090 8.372 1.086 1.00 0.00 C ATOM 160 CG2 ILE A 110 2.010 9.342 2.100 1.00 0.00 C ATOM 161 CD1 ILE A 110 5.155 9.293 1.639 1.00 0.00 C ATOM 0 H ILE A 110 3.373 8.647 -1.582 1.00 0.00 H new ATOM 0 HA ILE A 110 1.788 7.227 0.265 1.00 0.00 H new ATOM 0 HB ILE A 110 2.972 10.033 0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.919 7.561 1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.455 7.919 0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.632 9.942 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.087 9.880 1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.772 8.395 2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 110 6.070 8.727 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 110 5.354 10.090 0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.810 9.727 2.577 1.00 0.00 H new ATOM 173 N ASN A 111 0.437 9.895 -1.133 1.00 0.00 N ATOM 174 CA ASN A 111 -0.820 10.600 -1.355 1.00 0.00 C ATOM 175 C ASN A 111 -1.869 9.665 -1.950 1.00 0.00 C ATOM 176 O ASN A 111 -3.064 9.808 -1.687 1.00 0.00 O ATOM 177 CB ASN A 111 -0.602 11.796 -2.283 1.00 0.00 C ATOM 178 CG ASN A 111 -0.032 12.997 -1.554 1.00 0.00 C ATOM 179 OD1 ASN A 111 -0.515 13.377 -0.487 1.00 0.00 O ATOM 180 ND2 ASN A 111 1.002 13.601 -2.128 1.00 0.00 N ATOM 0 H ASN A 111 1.222 10.252 -1.677 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.182 10.959 -0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.074 11.509 -3.088 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.550 12.071 -2.745 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.428 14.414 -1.684 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.370 13.252 -3.013 1.00 0.00 H new ATOM 187 N TYR A 112 -1.415 8.708 -2.751 1.00 0.00 N ATOM 188 CA TYR A 112 -2.314 7.751 -3.385 1.00 0.00 C ATOM 189 C TYR A 112 -2.903 6.793 -2.355 1.00 0.00 C ATOM 190 O TYR A 112 -4.049 6.360 -2.477 1.00 0.00 O ATOM 191 CB TYR A 112 -1.573 6.963 -4.467 1.00 0.00 C ATOM 192 CG TYR A 112 -2.466 6.033 -5.257 1.00 0.00 C ATOM 193 CD1 TYR A 112 -3.623 6.500 -5.867 1.00 0.00 C ATOM 194 CD2 TYR A 112 -2.151 4.686 -5.394 1.00 0.00 C ATOM 195 CE1 TYR A 112 -4.442 5.654 -6.589 1.00 0.00 C ATOM 196 CE2 TYR A 112 -2.963 3.833 -6.115 1.00 0.00 C ATOM 197 CZ TYR A 112 -4.108 4.321 -6.710 1.00 0.00 C ATOM 198 OH TYR A 112 -4.920 3.475 -7.430 1.00 0.00 O ATOM 0 H TYR A 112 -0.429 8.574 -2.977 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.130 8.307 -3.845 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.095 7.663 -5.152 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.778 6.381 -4.001 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.887 7.543 -5.775 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.256 4.300 -4.929 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -5.339 6.034 -7.056 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -2.703 2.789 -6.213 1.00 0.00 H new ATOM 0 HH TYR A 112 -4.542 2.571 -7.419 1.00 0.00 H new ATOM 208 N ILE A 113 -2.110 6.466 -1.340 1.00 0.00 N ATOM 209 CA ILE A 113 -2.553 5.560 -0.287 1.00 0.00 C ATOM 210 C ILE A 113 -3.700 6.167 0.514 1.00 0.00 C ATOM 211 O ILE A 113 -4.711 5.511 0.766 1.00 0.00 O ATOM 212 CB ILE A 113 -1.401 5.208 0.674 1.00 0.00 C ATOM 213 CG1 ILE A 113 -0.288 4.475 -0.077 1.00 0.00 C ATOM 214 CG2 ILE A 113 -1.915 4.361 1.829 1.00 0.00 C ATOM 215 CD1 ILE A 113 0.990 4.338 0.720 1.00 0.00 C ATOM 0 H ILE A 113 -1.158 6.815 -1.224 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.897 4.650 -0.778 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.991 6.132 1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.641 3.482 -0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.074 5.008 -1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -1.090 4.120 2.499 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -2.677 4.916 2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -2.347 3.439 1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.735 3.809 0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.367 5.328 0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 113 0.791 3.778 1.634 1.00 0.00 H new ATOM 227 N LYS A 114 -3.538 7.424 0.910 1.00 0.00 N ATOM 228 CA LYS A 114 -4.560 8.123 1.680 1.00 0.00 C ATOM 229 C LYS A 114 -5.908 8.068 0.969 1.00 0.00 C ATOM 230 O LYS A 114 -6.925 7.721 1.569 1.00 0.00 O ATOM 231 CB LYS A 114 -4.150 9.580 1.907 1.00 0.00 C ATOM 232 CG LYS A 114 -2.665 9.760 2.171 1.00 0.00 C ATOM 233 CD LYS A 114 -2.395 10.987 3.025 1.00 0.00 C ATOM 234 CE LYS A 114 -0.914 11.333 3.051 1.00 0.00 C ATOM 235 NZ LYS A 114 -0.501 12.094 1.839 1.00 0.00 N ATOM 0 H LYS A 114 -2.707 7.981 0.710 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.657 7.625 2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.429 10.168 1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.712 9.979 2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.274 8.874 2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.135 9.851 1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -2.961 11.834 2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.746 10.809 4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.694 11.921 3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.328 10.417 3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.031 11.468 1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.346 12.451 1.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.101 12.894 2.120 1.00 0.00 H new ATOM 249 N LYS A 115 -5.910 8.413 -0.315 1.00 0.00 N ATOM 250 CA LYS A 115 -7.132 8.400 -1.109 1.00 0.00 C ATOM 251 C LYS A 115 -7.586 6.971 -1.388 1.00 0.00 C ATOM 252 O LYS A 115 -8.774 6.660 -1.310 1.00 0.00 O ATOM 253 CB LYS A 115 -6.914 9.144 -2.429 1.00 0.00 C ATOM 254 CG LYS A 115 -6.626 10.625 -2.252 1.00 0.00 C ATOM 255 CD LYS A 115 -6.960 11.412 -3.508 1.00 0.00 C ATOM 256 CE LYS A 115 -8.463 11.572 -3.682 1.00 0.00 C ATOM 257 NZ LYS A 115 -8.825 11.920 -5.084 1.00 0.00 N ATOM 0 H LYS A 115 -5.078 8.705 -0.827 1.00 0.00 H new ATOM 0 HA LYS A 115 -7.912 8.904 -0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.084 8.682 -2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.800 9.027 -3.053 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.206 11.012 -1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.574 10.765 -2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.492 12.395 -3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.544 10.904 -4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.962 10.646 -3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -8.826 12.349 -3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -9.857 12.020 -5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -8.369 12.817 -5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -8.502 11.166 -5.723 1.00 0.00 H new ATOM 271 N SER A 116 -6.631 6.105 -1.712 1.00 0.00 N ATOM 272 CA SER A 116 -6.933 4.708 -2.005 1.00 0.00 C ATOM 273 C SER A 116 -7.359 3.968 -0.741 1.00 0.00 C ATOM 274 O SER A 116 -6.522 3.467 0.012 1.00 0.00 O ATOM 275 CB SER A 116 -5.716 4.021 -2.627 1.00 0.00 C ATOM 276 OG SER A 116 -5.550 4.404 -3.981 1.00 0.00 O ATOM 0 H SER A 116 -5.642 6.346 -1.778 1.00 0.00 H new ATOM 0 HA SER A 116 -7.759 4.681 -2.716 1.00 0.00 H new ATOM 0 HB2 SER A 116 -4.821 4.278 -2.061 1.00 0.00 H new ATOM 0 HB3 SER A 116 -5.833 2.939 -2.564 1.00 0.00 H new ATOM 0 HG SER A 116 -4.722 4.014 -4.332 1.00 0.00 H new ATOM 282 N LYS A 117 -8.666 3.903 -0.513 1.00 0.00 N ATOM 283 CA LYS A 117 -9.206 3.224 0.659 1.00 0.00 C ATOM 284 C LYS A 117 -8.521 1.878 0.872 1.00 0.00 C ATOM 285 O LYS A 117 -7.912 1.638 1.915 1.00 0.00 O ATOM 286 CB LYS A 117 -10.715 3.021 0.506 1.00 0.00 C ATOM 287 CG LYS A 117 -11.524 4.289 0.720 1.00 0.00 C ATOM 288 CD LYS A 117 -11.682 4.607 2.198 1.00 0.00 C ATOM 289 CE LYS A 117 -12.289 5.985 2.409 1.00 0.00 C ATOM 290 NZ LYS A 117 -12.776 6.169 3.805 1.00 0.00 N ATOM 0 H LYS A 117 -9.372 4.313 -1.125 1.00 0.00 H new ATOM 0 HA LYS A 117 -9.016 3.851 1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -10.922 2.632 -0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.045 2.265 1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -11.034 5.123 0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -12.508 4.175 0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -12.314 3.854 2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.710 4.558 2.688 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.545 6.748 2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -13.116 6.128 1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.183 7.121 3.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -13.504 5.457 4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -11.982 6.058 4.467 1.00 0.00 H new ATOM 304 N VAL A 118 -8.622 1.003 -0.124 1.00 0.00 N ATOM 305 CA VAL A 118 -8.010 -0.318 -0.047 1.00 0.00 C ATOM 306 C VAL A 118 -6.981 -0.512 -1.155 1.00 0.00 C ATOM 307 O VAL A 118 -7.313 -0.476 -2.339 1.00 0.00 O ATOM 308 CB VAL A 118 -9.068 -1.433 -0.143 1.00 0.00 C ATOM 309 CG1 VAL A 118 -8.408 -2.802 -0.072 1.00 0.00 C ATOM 310 CG2 VAL A 118 -10.108 -1.276 0.956 1.00 0.00 C ATOM 0 H VAL A 118 -9.122 1.186 -0.994 1.00 0.00 H new ATOM 0 HA VAL A 118 -7.513 -0.381 0.921 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.574 -1.349 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.171 -3.578 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.704 -2.910 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.875 -2.900 0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.848 -2.072 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -9.620 -1.333 1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.602 -0.310 0.854 1.00 0.00 H new ATOM 320 N VAL A 119 -5.728 -0.718 -0.761 1.00 0.00 N ATOM 321 CA VAL A 119 -4.649 -0.920 -1.721 1.00 0.00 C ATOM 322 C VAL A 119 -4.034 -2.307 -1.573 1.00 0.00 C ATOM 323 O VAL A 119 -3.582 -2.686 -0.491 1.00 0.00 O ATOM 324 CB VAL A 119 -3.544 0.140 -1.553 1.00 0.00 C ATOM 325 CG1 VAL A 119 -2.433 -0.082 -2.568 1.00 0.00 C ATOM 326 CG2 VAL A 119 -4.124 1.540 -1.684 1.00 0.00 C ATOM 0 H VAL A 119 -5.435 -0.749 0.216 1.00 0.00 H new ATOM 0 HA VAL A 119 -5.087 -0.824 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.118 0.040 -0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.661 0.676 -2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.999 -1.071 -2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.841 -0.010 -3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.329 2.276 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.578 1.655 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.881 1.694 -0.915 1.00 0.00 H new ATOM 336 N LEU A 120 -4.019 -3.062 -2.666 1.00 0.00 N ATOM 337 CA LEU A 120 -3.459 -4.408 -2.659 1.00 0.00 C ATOM 338 C LEU A 120 -1.989 -4.389 -3.067 1.00 0.00 C ATOM 339 O LEU A 120 -1.586 -3.618 -3.939 1.00 0.00 O ATOM 340 CB LEU A 120 -4.250 -5.316 -3.603 1.00 0.00 C ATOM 341 CG LEU A 120 -4.296 -6.798 -3.227 1.00 0.00 C ATOM 342 CD1 LEU A 120 -5.123 -7.003 -1.968 1.00 0.00 C ATOM 343 CD2 LEU A 120 -4.857 -7.622 -4.376 1.00 0.00 C ATOM 0 H LEU A 120 -4.389 -2.764 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.530 -4.799 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -5.273 -4.944 -3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.823 -5.228 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 120 -3.279 -7.135 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -5.145 -8.063 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.678 -6.443 -1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -6.140 -6.650 -2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.882 -8.674 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.867 -7.284 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.224 -7.499 -5.255 1.00 0.00 H new ATOM 355 N LEU A 121 -1.193 -5.242 -2.432 1.00 0.00 N ATOM 356 CA LEU A 121 0.233 -5.325 -2.730 1.00 0.00 C ATOM 357 C LEU A 121 0.463 -5.774 -4.170 1.00 0.00 C ATOM 358 O LEU A 121 1.328 -5.243 -4.864 1.00 0.00 O ATOM 359 CB LEU A 121 0.920 -6.294 -1.766 1.00 0.00 C ATOM 360 CG LEU A 121 0.587 -6.115 -0.284 1.00 0.00 C ATOM 361 CD1 LEU A 121 1.020 -7.336 0.511 1.00 0.00 C ATOM 362 CD2 LEU A 121 1.248 -4.858 0.263 1.00 0.00 C ATOM 0 H LEU A 121 -1.510 -5.886 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 121 0.664 -4.331 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 121 0.658 -7.311 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.998 -6.195 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.493 -6.006 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.775 -7.191 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 121 0.500 -8.218 0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.096 -7.477 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.000 -4.747 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.329 -4.937 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 121 0.889 -3.989 -0.288 1.00 0.00 H new ATOM 374 N GLU A 122 -0.320 -6.754 -4.611 1.00 0.00 N ATOM 375 CA GLU A 122 -0.202 -7.273 -5.969 1.00 0.00 C ATOM 376 C GLU A 122 -0.568 -6.203 -6.994 1.00 0.00 C ATOM 377 O GLU A 122 0.103 -6.051 -8.014 1.00 0.00 O ATOM 378 CB GLU A 122 -1.100 -8.498 -6.150 1.00 0.00 C ATOM 379 CG GLU A 122 -0.443 -9.802 -5.730 1.00 0.00 C ATOM 380 CD GLU A 122 -1.347 -11.003 -5.933 1.00 0.00 C ATOM 381 OE1 GLU A 122 -1.327 -11.582 -7.040 1.00 0.00 O ATOM 382 OE2 GLU A 122 -2.076 -11.363 -4.985 1.00 0.00 O ATOM 0 H GLU A 122 -1.042 -7.204 -4.048 1.00 0.00 H new ATOM 0 HA GLU A 122 0.836 -7.566 -6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.013 -8.358 -5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.395 -8.570 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 122 0.475 -9.942 -6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -0.159 -9.739 -4.680 1.00 0.00 H new ATOM 389 N ASP A 123 -1.637 -5.466 -6.714 1.00 0.00 N ATOM 390 CA ASP A 123 -2.093 -4.410 -7.610 1.00 0.00 C ATOM 391 C ASP A 123 -1.186 -3.187 -7.516 1.00 0.00 C ATOM 392 O ASP A 123 -1.000 -2.462 -8.493 1.00 0.00 O ATOM 393 CB ASP A 123 -3.534 -4.019 -7.280 1.00 0.00 C ATOM 394 CG ASP A 123 -4.535 -5.068 -7.722 1.00 0.00 C ATOM 395 OD1 ASP A 123 -4.411 -6.229 -7.280 1.00 0.00 O ATOM 396 OD2 ASP A 123 -5.442 -4.729 -8.510 1.00 0.00 O ATOM 0 H ASP A 123 -2.204 -5.580 -5.874 1.00 0.00 H new ATOM 0 HA ASP A 123 -2.053 -4.791 -8.630 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -3.628 -3.862 -6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.769 -3.070 -7.763 1.00 0.00 H new ATOM 401 N LEU A 124 -0.625 -2.963 -6.332 1.00 0.00 N ATOM 402 CA LEU A 124 0.262 -1.827 -6.109 1.00 0.00 C ATOM 403 C LEU A 124 1.508 -1.929 -6.982 1.00 0.00 C ATOM 404 O LEU A 124 1.909 -0.959 -7.624 1.00 0.00 O ATOM 405 CB LEU A 124 0.663 -1.750 -4.635 1.00 0.00 C ATOM 406 CG LEU A 124 1.421 -0.492 -4.210 1.00 0.00 C ATOM 407 CD1 LEU A 124 0.511 0.725 -4.271 1.00 0.00 C ATOM 408 CD2 LEU A 124 1.994 -0.662 -2.810 1.00 0.00 C ATOM 0 H LEU A 124 -0.769 -3.553 -5.512 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.276 -0.919 -6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.240 -1.828 -4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 124 1.280 -2.618 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 124 2.248 -0.337 -4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.067 1.611 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.149 0.858 -5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.336 0.580 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 124 2.530 0.243 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.183 -0.842 -2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.680 -1.509 -2.798 1.00 0.00 H new ATOM 420 N ALA A 125 2.115 -3.111 -7.002 1.00 0.00 N ATOM 421 CA ALA A 125 3.313 -3.342 -7.800 1.00 0.00 C ATOM 422 C ALA A 125 3.039 -3.111 -9.282 1.00 0.00 C ATOM 423 O ALA A 125 3.828 -2.471 -9.977 1.00 0.00 O ATOM 424 CB ALA A 125 3.836 -4.752 -7.571 1.00 0.00 C ATOM 0 H ALA A 125 1.797 -3.924 -6.474 1.00 0.00 H new ATOM 0 HA ALA A 125 4.074 -2.628 -7.483 1.00 0.00 H new ATOM 0 HB1 ALA A 125 4.731 -4.910 -8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 125 4.080 -4.883 -6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 125 3.072 -5.475 -7.859 1.00 0.00 H new ATOM 430 N PHE A 126 1.915 -3.635 -9.759 1.00 0.00 N ATOM 431 CA PHE A 126 1.537 -3.487 -11.160 1.00 0.00 C ATOM 432 C PHE A 126 1.158 -2.042 -11.472 1.00 0.00 C ATOM 433 O PHE A 126 1.514 -1.510 -12.522 1.00 0.00 O ATOM 434 CB PHE A 126 0.369 -4.417 -11.496 1.00 0.00 C ATOM 435 CG PHE A 126 0.047 -4.468 -12.963 1.00 0.00 C ATOM 436 CD1 PHE A 126 0.742 -5.318 -13.808 1.00 0.00 C ATOM 437 CD2 PHE A 126 -0.950 -3.667 -13.495 1.00 0.00 C ATOM 438 CE1 PHE A 126 0.448 -5.368 -15.158 1.00 0.00 C ATOM 439 CE2 PHE A 126 -1.249 -3.713 -14.844 1.00 0.00 C ATOM 440 CZ PHE A 126 -0.548 -4.564 -15.676 1.00 0.00 C ATOM 0 H PHE A 126 1.250 -4.166 -9.196 1.00 0.00 H new ATOM 0 HA PHE A 126 2.397 -3.759 -11.773 1.00 0.00 H new ATOM 0 HB2 PHE A 126 0.604 -5.423 -11.148 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -0.515 -4.089 -10.949 1.00 0.00 H new ATOM 0 HD1 PHE A 126 1.522 -5.949 -13.408 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -1.500 -2.999 -12.849 1.00 0.00 H new ATOM 0 HE1 PHE A 126 0.997 -6.035 -15.807 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -2.030 -3.084 -15.247 1.00 0.00 H new ATOM 0 HZ PHE A 126 -0.779 -4.601 -16.730 1.00 0.00 H new ATOM 450 N GLN A 127 0.434 -1.415 -10.550 1.00 0.00 N ATOM 451 CA GLN A 127 0.005 -0.033 -10.727 1.00 0.00 C ATOM 452 C GLN A 127 1.201 0.879 -10.983 1.00 0.00 C ATOM 453 O GLN A 127 1.175 1.711 -11.890 1.00 0.00 O ATOM 454 CB GLN A 127 -0.761 0.447 -9.493 1.00 0.00 C ATOM 455 CG GLN A 127 -2.247 0.127 -9.538 1.00 0.00 C ATOM 456 CD GLN A 127 -2.912 0.618 -10.808 1.00 0.00 C ATOM 457 OE1 GLN A 127 -2.611 1.707 -11.299 1.00 0.00 O ATOM 458 NE2 GLN A 127 -3.822 -0.184 -11.349 1.00 0.00 N ATOM 0 H GLN A 127 0.133 -1.842 -9.674 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.654 0.009 -11.594 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -0.326 -0.011 -8.605 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -0.633 1.525 -9.392 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -2.385 -0.951 -9.454 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -2.738 0.580 -8.677 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -4.040 -1.078 -10.909 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -4.302 0.094 -12.205 1.00 0.00 H new ATOM 467 N MET A 128 2.246 0.717 -10.179 1.00 0.00 N ATOM 468 CA MET A 128 3.451 1.526 -10.321 1.00 0.00 C ATOM 469 C MET A 128 4.530 0.765 -11.085 1.00 0.00 C ATOM 470 O MET A 128 5.594 1.307 -11.382 1.00 0.00 O ATOM 471 CB MET A 128 3.979 1.937 -8.945 1.00 0.00 C ATOM 472 CG MET A 128 3.002 2.786 -8.148 1.00 0.00 C ATOM 473 SD MET A 128 3.802 3.702 -6.817 1.00 0.00 S ATOM 474 CE MET A 128 2.743 5.143 -6.713 1.00 0.00 C ATOM 0 H MET A 128 2.283 0.033 -9.423 1.00 0.00 H new ATOM 0 HA MET A 128 3.193 2.421 -10.887 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.218 1.040 -8.374 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.909 2.491 -9.072 1.00 0.00 H new ATOM 0 HG2 MET A 128 2.505 3.487 -8.819 1.00 0.00 H new ATOM 0 HG3 MET A 128 2.228 2.144 -7.728 1.00 0.00 H new ATOM 0 HE1 MET A 128 3.323 5.996 -6.360 1.00 0.00 H new ATOM 0 HE2 MET A 128 2.334 5.366 -7.698 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.927 4.946 -6.017 1.00 0.00 H new ATOM 484 N GLY A 129 4.248 -0.496 -11.401 1.00 0.00 N ATOM 485 CA GLY A 129 5.204 -1.310 -12.128 1.00 0.00 C ATOM 486 C GLY A 129 6.183 -2.014 -11.209 1.00 0.00 C ATOM 487 O GLY A 129 6.489 -3.192 -11.399 1.00 0.00 O ATOM 0 H GLY A 129 3.375 -0.968 -11.166 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.669 -2.052 -12.720 1.00 0.00 H new ATOM 0 HA3 GLY A 129 5.755 -0.681 -12.827 1.00 0.00 H new ATOM 491 N LEU A 130 6.679 -1.291 -10.210 1.00 0.00 N ATOM 492 CA LEU A 130 7.631 -1.852 -9.259 1.00 0.00 C ATOM 493 C LEU A 130 7.242 -3.276 -8.874 1.00 0.00 C ATOM 494 O LEU A 130 6.064 -3.636 -8.895 1.00 0.00 O ATOM 495 CB LEU A 130 7.707 -0.977 -8.007 1.00 0.00 C ATOM 496 CG LEU A 130 8.147 0.471 -8.226 1.00 0.00 C ATOM 497 CD1 LEU A 130 7.782 1.328 -7.023 1.00 0.00 C ATOM 498 CD2 LEU A 130 9.643 0.539 -8.496 1.00 0.00 C ATOM 0 H LEU A 130 6.437 -0.315 -10.038 1.00 0.00 H new ATOM 0 HA LEU A 130 8.610 -1.879 -9.737 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.725 -0.970 -7.533 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.397 -1.443 -7.304 1.00 0.00 H new ATOM 0 HG LEU A 130 7.622 0.862 -9.098 1.00 0.00 H new ATOM 0 HD11 LEU A 130 8.103 2.355 -7.197 1.00 0.00 H new ATOM 0 HD12 LEU A 130 6.702 1.305 -6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 130 8.279 0.938 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.938 1.577 -8.649 1.00 0.00 H new ATOM 0 HD22 LEU A 130 10.186 0.130 -7.644 1.00 0.00 H new ATOM 0 HD23 LEU A 130 9.878 -0.041 -9.388 1.00 0.00 H new ATOM 510 N ARG A 131 8.238 -4.082 -8.522 1.00 0.00 N ATOM 511 CA ARG A 131 8.000 -5.466 -8.132 1.00 0.00 C ATOM 512 C ARG A 131 7.209 -5.536 -6.829 1.00 0.00 C ATOM 513 O ARG A 131 7.210 -4.591 -6.038 1.00 0.00 O ATOM 514 CB ARG A 131 9.328 -6.210 -7.976 1.00 0.00 C ATOM 515 CG ARG A 131 9.820 -6.854 -9.262 1.00 0.00 C ATOM 516 CD ARG A 131 10.648 -8.098 -8.980 1.00 0.00 C ATOM 517 NE ARG A 131 9.812 -9.277 -8.770 1.00 0.00 N ATOM 518 CZ ARG A 131 10.256 -10.523 -8.891 1.00 0.00 C ATOM 519 NH1 ARG A 131 11.519 -10.752 -9.219 1.00 0.00 N ATOM 520 NH2 ARG A 131 9.434 -11.544 -8.683 1.00 0.00 N ATOM 0 H ARG A 131 9.218 -3.800 -8.499 1.00 0.00 H new ATOM 0 HA ARG A 131 7.414 -5.943 -8.918 1.00 0.00 H new ATOM 0 HB2 ARG A 131 10.085 -5.513 -7.616 1.00 0.00 H new ATOM 0 HB3 ARG A 131 9.216 -6.981 -7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 131 8.967 -7.117 -9.888 1.00 0.00 H new ATOM 0 HG3 ARG A 131 10.418 -6.137 -9.824 1.00 0.00 H new ATOM 0 HD2 ARG A 131 11.326 -8.279 -9.814 1.00 0.00 H new ATOM 0 HD3 ARG A 131 11.266 -7.930 -8.098 1.00 0.00 H new ATOM 0 HE ARG A 131 8.834 -9.136 -8.517 1.00 0.00 H new ATOM 0 HH11 ARG A 131 12.154 -9.970 -9.380 1.00 0.00 H new ATOM 0 HH12 ARG A 131 11.856 -11.710 -9.311 1.00 0.00 H new ATOM 0 HH21 ARG A 131 8.461 -11.372 -8.430 1.00 0.00 H new ATOM 0 HH22 ARG A 131 9.775 -12.501 -8.776 1.00 0.00 H new ATOM 534 N THR A 132 6.535 -6.660 -6.611 1.00 0.00 N ATOM 535 CA THR A 132 5.739 -6.853 -5.405 1.00 0.00 C ATOM 536 C THR A 132 6.584 -6.655 -4.151 1.00 0.00 C ATOM 537 O THR A 132 6.153 -6.005 -3.199 1.00 0.00 O ATOM 538 CB THR A 132 5.106 -8.256 -5.368 1.00 0.00 C ATOM 539 OG1 THR A 132 4.440 -8.526 -6.606 1.00 0.00 O ATOM 540 CG2 THR A 132 4.117 -8.374 -4.218 1.00 0.00 C ATOM 0 H THR A 132 6.524 -7.452 -7.254 1.00 0.00 H new ATOM 0 HA THR A 132 4.946 -6.106 -5.427 1.00 0.00 H new ATOM 0 HB THR A 132 5.902 -8.985 -5.218 1.00 0.00 H new ATOM 0 HG1 THR A 132 4.042 -9.421 -6.575 1.00 0.00 H new ATOM 0 HG21 THR A 132 3.683 -9.374 -4.213 1.00 0.00 H new ATOM 0 HG22 THR A 132 4.633 -8.197 -3.274 1.00 0.00 H new ATOM 0 HG23 THR A 132 3.325 -7.635 -4.342 1.00 0.00 H new ATOM 548 N GLN A 133 7.787 -7.220 -4.159 1.00 0.00 N ATOM 549 CA GLN A 133 8.691 -7.104 -3.021 1.00 0.00 C ATOM 550 C GLN A 133 9.192 -5.672 -2.866 1.00 0.00 C ATOM 551 O GLN A 133 9.207 -5.125 -1.763 1.00 0.00 O ATOM 552 CB GLN A 133 9.877 -8.057 -3.187 1.00 0.00 C ATOM 553 CG GLN A 133 10.622 -8.332 -1.891 1.00 0.00 C ATOM 554 CD GLN A 133 9.690 -8.647 -0.737 1.00 0.00 C ATOM 555 OE1 GLN A 133 9.360 -9.807 -0.490 1.00 0.00 O ATOM 556 NE2 GLN A 133 9.260 -7.613 -0.024 1.00 0.00 N ATOM 0 H GLN A 133 8.158 -7.762 -4.940 1.00 0.00 H new ATOM 0 HA GLN A 133 8.139 -7.375 -2.121 1.00 0.00 H new ATOM 0 HB2 GLN A 133 9.519 -9.001 -3.598 1.00 0.00 H new ATOM 0 HB3 GLN A 133 10.572 -7.636 -3.914 1.00 0.00 H new ATOM 0 HG2 GLN A 133 11.305 -9.168 -2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 133 11.230 -7.465 -1.635 1.00 0.00 H new ATOM 0 HE21 GLN A 133 9.559 -6.668 -0.264 1.00 0.00 H new ATOM 0 HE22 GLN A 133 8.630 -7.764 0.764 1.00 0.00 H new ATOM 565 N ASP A 134 9.601 -5.071 -3.978 1.00 0.00 N ATOM 566 CA ASP A 134 10.102 -3.701 -3.965 1.00 0.00 C ATOM 567 C ASP A 134 9.050 -2.742 -3.417 1.00 0.00 C ATOM 568 O ASP A 134 9.347 -1.895 -2.575 1.00 0.00 O ATOM 569 CB ASP A 134 10.514 -3.274 -5.375 1.00 0.00 C ATOM 570 CG ASP A 134 11.523 -2.142 -5.365 1.00 0.00 C ATOM 571 OD1 ASP A 134 12.720 -2.416 -5.138 1.00 0.00 O ATOM 572 OD2 ASP A 134 11.115 -0.983 -5.586 1.00 0.00 O ATOM 0 H ASP A 134 9.596 -5.510 -4.899 1.00 0.00 H new ATOM 0 HA ASP A 134 10.974 -3.665 -3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 134 10.937 -4.129 -5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 134 9.629 -2.963 -5.931 1.00 0.00 H new ATOM 577 N ALA A 135 7.820 -2.882 -3.901 1.00 0.00 N ATOM 578 CA ALA A 135 6.724 -2.029 -3.458 1.00 0.00 C ATOM 579 C ALA A 135 6.455 -2.210 -1.968 1.00 0.00 C ATOM 580 O ALA A 135 6.281 -1.235 -1.237 1.00 0.00 O ATOM 581 CB ALA A 135 5.467 -2.325 -4.263 1.00 0.00 C ATOM 0 H ALA A 135 7.558 -3.578 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 135 7.013 -0.991 -3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 135 4.656 -1.681 -3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 135 5.659 -2.138 -5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 135 5.184 -3.369 -4.125 1.00 0.00 H new ATOM 587 N ILE A 136 6.422 -3.462 -1.525 1.00 0.00 N ATOM 588 CA ILE A 136 6.174 -3.769 -0.122 1.00 0.00 C ATOM 589 C ILE A 136 7.261 -3.178 0.770 1.00 0.00 C ATOM 590 O ILE A 136 6.974 -2.631 1.834 1.00 0.00 O ATOM 591 CB ILE A 136 6.100 -5.289 0.117 1.00 0.00 C ATOM 592 CG1 ILE A 136 4.886 -5.881 -0.600 1.00 0.00 C ATOM 593 CG2 ILE A 136 6.040 -5.588 1.608 1.00 0.00 C ATOM 594 CD1 ILE A 136 4.976 -7.377 -0.807 1.00 0.00 C ATOM 0 H ILE A 136 6.564 -4.280 -2.117 1.00 0.00 H new ATOM 0 HA ILE A 136 5.214 -3.322 0.134 1.00 0.00 H new ATOM 0 HB ILE A 136 6.999 -5.751 -0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 136 3.988 -5.656 -0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 136 4.774 -5.394 -1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 136 5.988 -6.666 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.933 -5.195 2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.156 -5.117 2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 136 4.081 -7.728 -1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 136 5.855 -7.609 -1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 136 5.057 -7.874 0.160 1.00 0.00 H new ATOM 606 N ASN A 137 8.509 -3.291 0.328 1.00 0.00 N ATOM 607 CA ASN A 137 9.639 -2.766 1.085 1.00 0.00 C ATOM 608 C ASN A 137 9.458 -1.279 1.372 1.00 0.00 C ATOM 609 O ASN A 137 9.771 -0.804 2.464 1.00 0.00 O ATOM 610 CB ASN A 137 10.943 -2.995 0.319 1.00 0.00 C ATOM 611 CG ASN A 137 11.400 -4.440 0.373 1.00 0.00 C ATOM 612 OD1 ASN A 137 11.364 -5.075 1.427 1.00 0.00 O ATOM 613 ND2 ASN A 137 11.833 -4.966 -0.767 1.00 0.00 N ATOM 0 H ASN A 137 8.763 -3.742 -0.551 1.00 0.00 H new ATOM 0 HA ASN A 137 9.686 -3.297 2.035 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.807 -2.699 -0.721 1.00 0.00 H new ATOM 0 HB3 ASN A 137 11.722 -2.355 0.734 1.00 0.00 H new ATOM 0 HD21 ASN A 137 12.153 -5.934 -0.793 1.00 0.00 H new ATOM 0 HD22 ASN A 137 11.845 -4.402 -1.617 1.00 0.00 H new ATOM 620 N ARG A 138 8.950 -0.549 0.384 1.00 0.00 N ATOM 621 CA ARG A 138 8.728 0.885 0.529 1.00 0.00 C ATOM 622 C ARG A 138 7.713 1.168 1.633 1.00 0.00 C ATOM 623 O ARG A 138 7.928 2.037 2.478 1.00 0.00 O ATOM 624 CB ARG A 138 8.242 1.483 -0.792 1.00 0.00 C ATOM 625 CG ARG A 138 9.233 1.325 -1.934 1.00 0.00 C ATOM 626 CD ARG A 138 10.237 2.467 -1.962 1.00 0.00 C ATOM 627 NE ARG A 138 11.171 2.403 -0.841 1.00 0.00 N ATOM 628 CZ ARG A 138 12.170 1.530 -0.766 1.00 0.00 C ATOM 629 NH1 ARG A 138 12.363 0.653 -1.741 1.00 0.00 N ATOM 630 NH2 ARG A 138 12.978 1.534 0.287 1.00 0.00 N ATOM 0 H ARG A 138 8.684 -0.927 -0.525 1.00 0.00 H new ATOM 0 HA ARG A 138 9.676 1.349 0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 138 7.301 1.009 -1.071 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.034 2.543 -0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 138 9.761 0.377 -1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 138 8.695 1.288 -2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 138 10.793 2.438 -2.899 1.00 0.00 H new ATOM 0 HD3 ARG A 138 9.705 3.418 -1.937 1.00 0.00 H new ATOM 0 HE ARG A 138 11.050 3.064 -0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 138 11.744 0.647 -2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 138 13.131 -0.016 -1.681 1.00 0.00 H new ATOM 0 HH21 ARG A 138 12.832 2.207 1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 138 13.745 0.864 0.344 1.00 0.00 H new ATOM 644 N ILE A 139 6.608 0.431 1.617 1.00 0.00 N ATOM 645 CA ILE A 139 5.561 0.603 2.616 1.00 0.00 C ATOM 646 C ILE A 139 6.086 0.311 4.018 1.00 0.00 C ATOM 647 O ILE A 139 5.815 1.055 4.960 1.00 0.00 O ATOM 648 CB ILE A 139 4.355 -0.311 2.331 1.00 0.00 C ATOM 649 CG1 ILE A 139 3.749 0.020 0.966 1.00 0.00 C ATOM 650 CG2 ILE A 139 3.311 -0.168 3.429 1.00 0.00 C ATOM 651 CD1 ILE A 139 2.926 -1.107 0.380 1.00 0.00 C ATOM 0 H ILE A 139 6.415 -0.291 0.923 1.00 0.00 H new ATOM 0 HA ILE A 139 5.239 1.643 2.560 1.00 0.00 H new ATOM 0 HB ILE A 139 4.697 -1.346 2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 139 3.121 0.906 1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 139 4.552 0.271 0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 139 2.465 -0.820 3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 139 3.750 -0.447 4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 139 2.970 0.866 3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 139 2.528 -0.802 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 139 3.555 -1.988 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 139 2.102 -1.344 1.053 1.00 0.00 H new ATOM 663 N GLN A 140 6.838 -0.777 4.148 1.00 0.00 N ATOM 664 CA GLN A 140 7.402 -1.167 5.435 1.00 0.00 C ATOM 665 C GLN A 140 8.243 -0.040 6.024 1.00 0.00 C ATOM 666 O GLN A 140 8.250 0.173 7.237 1.00 0.00 O ATOM 667 CB GLN A 140 8.253 -2.429 5.281 1.00 0.00 C ATOM 668 CG GLN A 140 7.456 -3.718 5.396 1.00 0.00 C ATOM 669 CD GLN A 140 6.518 -3.720 6.586 1.00 0.00 C ATOM 670 OE1 GLN A 140 6.955 -3.775 7.736 1.00 0.00 O ATOM 671 NE2 GLN A 140 5.219 -3.661 6.317 1.00 0.00 N ATOM 0 H GLN A 140 7.071 -1.404 3.378 1.00 0.00 H new ATOM 0 HA GLN A 140 6.578 -1.375 6.117 1.00 0.00 H new ATOM 0 HB2 GLN A 140 8.751 -2.405 4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 140 9.034 -2.425 6.041 1.00 0.00 H new ATOM 0 HG2 GLN A 140 6.879 -3.866 4.483 1.00 0.00 H new ATOM 0 HG3 GLN A 140 8.144 -4.560 5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 140 4.900 -3.617 5.349 1.00 0.00 H new ATOM 0 HE22 GLN A 140 4.540 -3.660 7.078 1.00 0.00 H new ATOM 680 N ASP A 141 8.951 0.678 5.159 1.00 0.00 N ATOM 681 CA ASP A 141 9.796 1.784 5.594 1.00 0.00 C ATOM 682 C ASP A 141 8.950 2.940 6.118 1.00 0.00 C ATOM 683 O ASP A 141 9.323 3.609 7.083 1.00 0.00 O ATOM 684 CB ASP A 141 10.680 2.263 4.441 1.00 0.00 C ATOM 685 CG ASP A 141 12.003 1.525 4.381 1.00 0.00 C ATOM 686 OD1 ASP A 141 12.643 1.367 5.442 1.00 0.00 O ATOM 687 OD2 ASP A 141 12.399 1.107 3.274 1.00 0.00 O ATOM 0 H ASP A 141 8.957 0.514 4.152 1.00 0.00 H new ATOM 0 HA ASP A 141 10.432 1.427 6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 141 10.149 2.127 3.499 1.00 0.00 H new ATOM 0 HB3 ASP A 141 10.868 3.331 4.550 1.00 0.00 H new ATOM 692 N LEU A 142 7.811 3.171 5.475 1.00 0.00 N ATOM 693 CA LEU A 142 6.912 4.248 5.875 1.00 0.00 C ATOM 694 C LEU A 142 6.246 3.934 7.211 1.00 0.00 C ATOM 695 O LEU A 142 6.232 4.766 8.120 1.00 0.00 O ATOM 696 CB LEU A 142 5.845 4.474 4.802 1.00 0.00 C ATOM 697 CG LEU A 142 6.362 4.765 3.392 1.00 0.00 C ATOM 698 CD1 LEU A 142 5.209 4.825 2.403 1.00 0.00 C ATOM 699 CD2 LEU A 142 7.153 6.065 3.373 1.00 0.00 C ATOM 0 H LEU A 142 7.488 2.627 4.675 1.00 0.00 H new ATOM 0 HA LEU A 142 7.503 5.157 5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 142 5.209 3.590 4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 142 5.214 5.306 5.115 1.00 0.00 H new ATOM 0 HG LEU A 142 7.027 3.954 3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 142 5.596 5.033 1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 142 4.685 3.869 2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 142 4.519 5.616 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 142 7.513 6.257 2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 142 6.511 6.886 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 142 8.002 5.984 4.052 1.00 0.00 H new ATOM 711 N LEU A 143 5.698 2.730 7.325 1.00 0.00 N ATOM 712 CA LEU A 143 5.033 2.304 8.551 1.00 0.00 C ATOM 713 C LEU A 143 6.022 2.233 9.710 1.00 0.00 C ATOM 714 O LEU A 143 5.700 2.602 10.840 1.00 0.00 O ATOM 715 CB LEU A 143 4.368 0.942 8.348 1.00 0.00 C ATOM 716 CG LEU A 143 3.018 0.954 7.630 1.00 0.00 C ATOM 717 CD1 LEU A 143 1.958 1.615 8.497 1.00 0.00 C ATOM 718 CD2 LEU A 143 3.133 1.665 6.290 1.00 0.00 C ATOM 0 H LEU A 143 5.701 2.031 6.583 1.00 0.00 H new ATOM 0 HA LEU A 143 4.268 3.041 8.795 1.00 0.00 H new ATOM 0 HB2 LEU A 143 5.051 0.307 7.784 1.00 0.00 H new ATOM 0 HB3 LEU A 143 4.233 0.477 9.324 1.00 0.00 H new ATOM 0 HG LEU A 143 2.717 -0.077 7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 143 1.004 1.614 7.969 1.00 0.00 H new ATOM 0 HD12 LEU A 143 1.856 1.063 9.431 1.00 0.00 H new ATOM 0 HD13 LEU A 143 2.253 2.642 8.712 1.00 0.00 H new ATOM 0 HD21 LEU A 143 2.163 1.664 5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 143 3.457 2.693 6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 143 3.861 1.148 5.665 1.00 0.00 H new ATOM 730 N THR A 144 7.230 1.757 9.422 1.00 0.00 N ATOM 731 CA THR A 144 8.267 1.638 10.440 1.00 0.00 C ATOM 732 C THR A 144 8.778 3.009 10.866 1.00 0.00 C ATOM 733 O THR A 144 9.000 3.258 12.051 1.00 0.00 O ATOM 734 CB THR A 144 9.453 0.794 9.937 1.00 0.00 C ATOM 735 OG1 THR A 144 9.004 -0.520 9.585 1.00 0.00 O ATOM 736 CG2 THR A 144 10.537 0.698 10.999 1.00 0.00 C ATOM 0 H THR A 144 7.514 1.448 8.492 1.00 0.00 H new ATOM 0 HA THR A 144 7.814 1.140 11.297 1.00 0.00 H new ATOM 0 HB THR A 144 9.872 1.282 9.057 1.00 0.00 H new ATOM 0 HG1 THR A 144 8.561 -0.491 8.711 1.00 0.00 H new ATOM 0 HG21 THR A 144 11.364 0.097 10.621 1.00 0.00 H new ATOM 0 HG22 THR A 144 10.896 1.698 11.243 1.00 0.00 H new ATOM 0 HG23 THR A 144 10.128 0.230 11.895 1.00 0.00 H new ATOM 744 N GLU A 145 8.964 3.896 9.893 1.00 0.00 N ATOM 745 CA GLU A 145 9.450 5.242 10.170 1.00 0.00 C ATOM 746 C GLU A 145 8.362 6.090 10.821 1.00 0.00 C ATOM 747 O GLU A 145 8.642 7.130 11.416 1.00 0.00 O ATOM 748 CB GLU A 145 9.929 5.911 8.879 1.00 0.00 C ATOM 749 CG GLU A 145 11.094 5.194 8.218 1.00 0.00 C ATOM 750 CD GLU A 145 12.440 5.695 8.706 1.00 0.00 C ATOM 751 OE1 GLU A 145 12.555 6.012 9.908 1.00 0.00 O ATOM 752 OE2 GLU A 145 13.377 5.769 7.884 1.00 0.00 O ATOM 0 H GLU A 145 8.785 3.706 8.907 1.00 0.00 H new ATOM 0 HA GLU A 145 10.288 5.163 10.863 1.00 0.00 H new ATOM 0 HB2 GLU A 145 9.098 5.961 8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 145 10.223 6.937 9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 145 11.016 4.125 8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 145 11.031 5.326 7.138 1.00 0.00 H new ATOM 759 N GLY A 146 7.117 5.638 10.704 1.00 0.00 N ATOM 760 CA GLY A 146 6.005 6.367 11.285 1.00 0.00 C ATOM 761 C GLY A 146 5.303 7.255 10.276 1.00 0.00 C ATOM 762 O GLY A 146 4.272 7.857 10.578 1.00 0.00 O ATOM 0 H GLY A 146 6.859 4.780 10.217 1.00 0.00 H new ATOM 0 HA2 GLY A 146 5.289 5.659 11.702 1.00 0.00 H new ATOM 0 HA3 GLY A 146 6.367 6.978 12.112 1.00 0.00 H new ATOM 766 N THR A 147 5.863 7.340 9.074 1.00 0.00 N ATOM 767 CA THR A 147 5.287 8.163 8.018 1.00 0.00 C ATOM 768 C THR A 147 3.837 7.776 7.749 1.00 0.00 C ATOM 769 O THR A 147 3.007 8.626 7.425 1.00 0.00 O ATOM 770 CB THR A 147 6.090 8.042 6.710 1.00 0.00 C ATOM 771 OG1 THR A 147 7.460 8.391 6.941 1.00 0.00 O ATOM 772 CG2 THR A 147 5.507 8.944 5.632 1.00 0.00 C ATOM 0 H THR A 147 6.716 6.848 8.807 1.00 0.00 H new ATOM 0 HA THR A 147 5.326 9.196 8.365 1.00 0.00 H new ATOM 0 HB THR A 147 6.032 7.009 6.368 1.00 0.00 H new ATOM 0 HG1 THR A 147 7.964 8.310 6.104 1.00 0.00 H new ATOM 0 HG21 THR A 147 6.091 8.842 4.717 1.00 0.00 H new ATOM 0 HG22 THR A 147 4.474 8.657 5.437 1.00 0.00 H new ATOM 0 HG23 THR A 147 5.539 9.980 5.968 1.00 0.00 H new ATOM 780 N LEU A 148 3.539 6.489 7.885 1.00 0.00 N ATOM 781 CA LEU A 148 2.187 5.989 7.657 1.00 0.00 C ATOM 782 C LEU A 148 1.765 5.035 8.769 1.00 0.00 C ATOM 783 O LEU A 148 2.599 4.533 9.523 1.00 0.00 O ATOM 784 CB LEU A 148 2.106 5.280 6.304 1.00 0.00 C ATOM 785 CG LEU A 148 2.039 6.186 5.074 1.00 0.00 C ATOM 786 CD1 LEU A 148 2.307 5.388 3.807 1.00 0.00 C ATOM 787 CD2 LEU A 148 0.686 6.877 4.995 1.00 0.00 C ATOM 0 H LEU A 148 4.214 5.773 8.152 1.00 0.00 H new ATOM 0 HA LEU A 148 1.507 6.840 7.656 1.00 0.00 H new ATOM 0 HB2 LEU A 148 2.975 4.630 6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 148 1.226 4.637 6.305 1.00 0.00 H new ATOM 0 HG LEU A 148 2.811 6.950 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 148 2.255 6.050 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 148 3.299 4.940 3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 148 1.559 4.601 3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 148 0.656 7.518 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -0.102 6.127 4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 148 0.534 7.482 5.889 1.00 0.00 H new ATOM 799 N THR A 149 0.462 4.787 8.866 1.00 0.00 N ATOM 800 CA THR A 149 -0.072 3.893 9.886 1.00 0.00 C ATOM 801 C THR A 149 -1.087 2.924 9.290 1.00 0.00 C ATOM 802 O THR A 149 -2.052 3.338 8.649 1.00 0.00 O ATOM 803 CB THR A 149 -0.739 4.679 11.030 1.00 0.00 C ATOM 804 OG1 THR A 149 -1.771 5.524 10.507 1.00 0.00 O ATOM 805 CG2 THR A 149 0.284 5.523 11.775 1.00 0.00 C ATOM 0 H THR A 149 -0.243 5.193 8.250 1.00 0.00 H new ATOM 0 HA THR A 149 0.772 3.331 10.287 1.00 0.00 H new ATOM 0 HB THR A 149 -1.174 3.963 11.728 1.00 0.00 H new ATOM 0 HG1 THR A 149 -2.116 5.142 9.673 1.00 0.00 H new ATOM 0 HG21 THR A 149 -0.211 6.069 12.578 1.00 0.00 H new ATOM 0 HG22 THR A 149 1.053 4.875 12.196 1.00 0.00 H new ATOM 0 HG23 THR A 149 0.744 6.230 11.085 1.00 0.00 H new ATOM 813 N GLY A 150 -0.864 1.632 9.508 1.00 0.00 N ATOM 814 CA GLY A 150 -1.769 0.624 8.986 1.00 0.00 C ATOM 815 C GLY A 150 -1.601 -0.717 9.671 1.00 0.00 C ATOM 816 O GLY A 150 -0.708 -0.891 10.501 1.00 0.00 O ATOM 0 H GLY A 150 -0.073 1.265 10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -2.797 0.965 9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.598 0.506 7.916 1.00 0.00 H new ATOM 820 N VAL A 151 -2.461 -1.669 9.325 1.00 0.00 N ATOM 821 CA VAL A 151 -2.404 -3.002 9.913 1.00 0.00 C ATOM 822 C VAL A 151 -2.317 -4.075 8.834 1.00 0.00 C ATOM 823 O VAL A 151 -2.844 -3.908 7.734 1.00 0.00 O ATOM 824 CB VAL A 151 -3.634 -3.279 10.798 1.00 0.00 C ATOM 825 CG1 VAL A 151 -3.684 -2.303 11.964 1.00 0.00 C ATOM 826 CG2 VAL A 151 -4.911 -3.203 9.974 1.00 0.00 C ATOM 0 H VAL A 151 -3.206 -1.542 8.640 1.00 0.00 H new ATOM 0 HA VAL A 151 -1.506 -3.037 10.530 1.00 0.00 H new ATOM 0 HB VAL A 151 -3.549 -4.287 11.203 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -4.560 -2.514 12.578 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -2.783 -2.411 12.568 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -3.745 -1.284 11.583 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -5.770 -3.401 10.615 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -5.005 -2.208 9.539 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -4.874 -3.945 9.177 1.00 0.00 H new ATOM 836 N ILE A 152 -1.649 -5.178 9.156 1.00 0.00 N ATOM 837 CA ILE A 152 -1.494 -6.280 8.214 1.00 0.00 C ATOM 838 C ILE A 152 -2.151 -7.550 8.742 1.00 0.00 C ATOM 839 O ILE A 152 -1.978 -7.914 9.906 1.00 0.00 O ATOM 840 CB ILE A 152 -0.009 -6.566 7.922 1.00 0.00 C ATOM 841 CG1 ILE A 152 0.651 -5.346 7.277 1.00 0.00 C ATOM 842 CG2 ILE A 152 0.128 -7.786 7.024 1.00 0.00 C ATOM 843 CD1 ILE A 152 2.157 -5.454 7.179 1.00 0.00 C ATOM 0 H ILE A 152 -1.207 -5.332 10.062 1.00 0.00 H new ATOM 0 HA ILE A 152 -1.985 -5.977 7.289 1.00 0.00 H new ATOM 0 HB ILE A 152 0.498 -6.774 8.864 1.00 0.00 H new ATOM 0 HG12 ILE A 152 0.239 -5.206 6.278 1.00 0.00 H new ATOM 0 HG13 ILE A 152 0.395 -4.457 7.854 1.00 0.00 H new ATOM 0 HG21 ILE A 152 1.183 -7.976 6.826 1.00 0.00 H new ATOM 0 HG22 ILE A 152 -0.310 -8.653 7.519 1.00 0.00 H new ATOM 0 HG23 ILE A 152 -0.391 -7.605 6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 152 2.557 -4.554 6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 152 2.580 -5.563 8.178 1.00 0.00 H new ATOM 0 HD13 ILE A 152 2.421 -6.323 6.577 1.00 0.00 H new ATOM 855 N ASP A 153 -2.903 -8.223 7.878 1.00 0.00 N ATOM 856 CA ASP A 153 -3.584 -9.456 8.256 1.00 0.00 C ATOM 857 C ASP A 153 -2.933 -10.663 7.589 1.00 0.00 C ATOM 858 O ASP A 153 -2.059 -10.516 6.735 1.00 0.00 O ATOM 859 CB ASP A 153 -5.064 -9.384 7.874 1.00 0.00 C ATOM 860 CG ASP A 153 -5.892 -10.452 8.562 1.00 0.00 C ATOM 861 OD1 ASP A 153 -6.240 -10.263 9.746 1.00 0.00 O ATOM 862 OD2 ASP A 153 -6.191 -11.477 7.915 1.00 0.00 O ATOM 0 H ASP A 153 -3.056 -7.936 6.911 1.00 0.00 H new ATOM 0 HA ASP A 153 -3.500 -9.571 9.337 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.456 -8.401 8.134 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -5.163 -9.491 6.794 1.00 0.00 H new ATOM 867 N ASP A 154 -3.363 -11.856 7.986 1.00 0.00 N ATOM 868 CA ASP A 154 -2.821 -13.089 7.427 1.00 0.00 C ATOM 869 C ASP A 154 -2.874 -13.064 5.902 1.00 0.00 C ATOM 870 O ASP A 154 -2.187 -13.837 5.235 1.00 0.00 O ATOM 871 CB ASP A 154 -3.595 -14.297 7.956 1.00 0.00 C ATOM 872 CG ASP A 154 -3.213 -14.651 9.380 1.00 0.00 C ATOM 873 OD1 ASP A 154 -2.966 -13.722 10.176 1.00 0.00 O ATOM 874 OD2 ASP A 154 -3.159 -15.858 9.697 1.00 0.00 O ATOM 0 H ASP A 154 -4.085 -11.995 8.693 1.00 0.00 H new ATOM 0 HA ASP A 154 -1.779 -13.171 7.735 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -4.664 -14.088 7.911 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -3.410 -15.155 7.309 1.00 0.00 H new ATOM 879 N ARG A 155 -3.695 -12.171 5.359 1.00 0.00 N ATOM 880 CA ARG A 155 -3.839 -12.047 3.913 1.00 0.00 C ATOM 881 C ARG A 155 -2.879 -10.999 3.359 1.00 0.00 C ATOM 882 O ARG A 155 -3.061 -10.500 2.249 1.00 0.00 O ATOM 883 CB ARG A 155 -5.279 -11.676 3.553 1.00 0.00 C ATOM 884 CG ARG A 155 -6.287 -12.767 3.873 1.00 0.00 C ATOM 885 CD ARG A 155 -6.234 -13.892 2.852 1.00 0.00 C ATOM 886 NE ARG A 155 -6.712 -13.464 1.540 1.00 0.00 N ATOM 887 CZ ARG A 155 -6.885 -14.291 0.515 1.00 0.00 C ATOM 888 NH1 ARG A 155 -6.622 -15.583 0.650 1.00 0.00 N ATOM 889 NH2 ARG A 155 -7.324 -13.826 -0.648 1.00 0.00 N ATOM 0 H ARG A 155 -4.270 -11.523 5.898 1.00 0.00 H new ATOM 0 HA ARG A 155 -3.596 -13.010 3.465 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -5.556 -10.768 4.089 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -5.331 -11.446 2.489 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -6.088 -13.167 4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -7.290 -12.342 3.895 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -5.210 -14.254 2.764 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -6.838 -14.729 3.203 1.00 0.00 H new ATOM 0 HE ARG A 155 -6.925 -12.476 1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -6.286 -15.944 1.543 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -6.756 -16.216 -0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -7.529 -12.833 -0.755 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -7.456 -14.462 -1.434 1.00 0.00 H new ATOM 903 N GLY A 156 -1.855 -10.669 4.141 1.00 0.00 N ATOM 904 CA GLY A 156 -0.882 -9.681 3.712 1.00 0.00 C ATOM 905 C GLY A 156 -1.530 -8.464 3.083 1.00 0.00 C ATOM 906 O GLY A 156 -1.008 -7.902 2.119 1.00 0.00 O ATOM 0 H GLY A 156 -1.682 -11.068 5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -0.284 -9.369 4.568 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -0.199 -10.136 2.995 1.00 0.00 H new ATOM 910 N LYS A 157 -2.671 -8.056 3.627 1.00 0.00 N ATOM 911 CA LYS A 157 -3.392 -6.897 3.113 1.00 0.00 C ATOM 912 C LYS A 157 -3.048 -5.644 3.911 1.00 0.00 C ATOM 913 O LYS A 157 -2.787 -5.713 5.112 1.00 0.00 O ATOM 914 CB LYS A 157 -4.901 -7.147 3.162 1.00 0.00 C ATOM 915 CG LYS A 157 -5.731 -5.949 2.733 1.00 0.00 C ATOM 916 CD LYS A 157 -7.151 -6.035 3.266 1.00 0.00 C ATOM 917 CE LYS A 157 -8.035 -6.881 2.363 1.00 0.00 C ATOM 918 NZ LYS A 157 -7.598 -8.304 2.334 1.00 0.00 N ATOM 0 H LYS A 157 -3.117 -8.511 4.424 1.00 0.00 H new ATOM 0 HA LYS A 157 -3.088 -6.742 2.078 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -5.141 -7.994 2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -5.181 -7.428 4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -5.262 -5.033 3.092 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -5.753 -5.891 1.645 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -7.139 -6.462 4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -7.570 -5.032 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -9.067 -6.825 2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -8.016 -6.475 1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -8.424 -8.918 2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -6.921 -8.443 1.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -7.143 -8.546 3.237 1.00 0.00 H new ATOM 932 N PHE A 158 -3.050 -4.499 3.236 1.00 0.00 N ATOM 933 CA PHE A 158 -2.738 -3.230 3.882 1.00 0.00 C ATOM 934 C PHE A 158 -3.981 -2.350 3.981 1.00 0.00 C ATOM 935 O PHE A 158 -4.666 -2.111 2.986 1.00 0.00 O ATOM 936 CB PHE A 158 -1.640 -2.496 3.110 1.00 0.00 C ATOM 937 CG PHE A 158 -1.150 -1.254 3.799 1.00 0.00 C ATOM 938 CD1 PHE A 158 -0.576 -1.325 5.058 1.00 0.00 C ATOM 939 CD2 PHE A 158 -1.263 -0.016 3.187 1.00 0.00 C ATOM 940 CE1 PHE A 158 -0.126 -0.184 5.694 1.00 0.00 C ATOM 941 CE2 PHE A 158 -0.813 1.128 3.818 1.00 0.00 C ATOM 942 CZ PHE A 158 -0.243 1.044 5.073 1.00 0.00 C ATOM 0 H PHE A 158 -3.264 -4.424 2.242 1.00 0.00 H new ATOM 0 HA PHE A 158 -2.383 -3.442 4.890 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -0.799 -3.173 2.958 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -2.017 -2.229 2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.479 -2.283 5.548 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -1.708 0.056 2.206 1.00 0.00 H new ATOM 0 HE1 PHE A 158 0.317 -0.252 6.677 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -0.907 2.087 3.330 1.00 0.00 H new ATOM 0 HZ PHE A 158 0.110 1.937 5.568 1.00 0.00 H new ATOM 952 N ILE A 159 -4.265 -1.872 5.188 1.00 0.00 N ATOM 953 CA ILE A 159 -5.424 -1.018 5.417 1.00 0.00 C ATOM 954 C ILE A 159 -5.009 0.327 6.004 1.00 0.00 C ATOM 955 O ILE A 159 -4.488 0.395 7.118 1.00 0.00 O ATOM 956 CB ILE A 159 -6.438 -1.688 6.363 1.00 0.00 C ATOM 957 CG1 ILE A 159 -6.878 -3.040 5.799 1.00 0.00 C ATOM 958 CG2 ILE A 159 -7.640 -0.781 6.579 1.00 0.00 C ATOM 959 CD1 ILE A 159 -7.473 -3.964 6.839 1.00 0.00 C ATOM 0 H ILE A 159 -3.709 -2.061 6.022 1.00 0.00 H new ATOM 0 HA ILE A 159 -5.895 -0.858 4.447 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.957 -1.857 7.327 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -7.611 -2.874 5.010 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -6.020 -3.529 5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -8.348 -1.268 7.250 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -7.311 0.160 7.020 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -8.124 -0.584 5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -7.762 -4.903 6.368 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -6.735 -4.160 7.616 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -8.351 -3.495 7.283 1.00 0.00 H new ATOM 971 N TYR A 160 -5.245 1.394 5.249 1.00 0.00 N ATOM 972 CA TYR A 160 -4.896 2.737 5.694 1.00 0.00 C ATOM 973 C TYR A 160 -6.125 3.476 6.215 1.00 0.00 C ATOM 974 O TYR A 160 -7.116 3.634 5.501 1.00 0.00 O ATOM 975 CB TYR A 160 -4.260 3.527 4.549 1.00 0.00 C ATOM 976 CG TYR A 160 -3.649 4.840 4.985 1.00 0.00 C ATOM 977 CD1 TYR A 160 -2.510 4.870 5.778 1.00 0.00 C ATOM 978 CD2 TYR A 160 -4.212 6.051 4.601 1.00 0.00 C ATOM 979 CE1 TYR A 160 -1.949 6.067 6.179 1.00 0.00 C ATOM 980 CE2 TYR A 160 -3.658 7.254 4.996 1.00 0.00 C ATOM 981 CZ TYR A 160 -2.527 7.256 5.786 1.00 0.00 C ATOM 982 OH TYR A 160 -1.971 8.451 6.182 1.00 0.00 O ATOM 0 H TYR A 160 -5.677 1.355 4.326 1.00 0.00 H new ATOM 0 HA TYR A 160 -4.177 2.646 6.508 1.00 0.00 H new ATOM 0 HB2 TYR A 160 -3.489 2.915 4.081 1.00 0.00 H new ATOM 0 HB3 TYR A 160 -5.017 3.723 3.789 1.00 0.00 H new ATOM 0 HD1 TYR A 160 -2.054 3.941 6.087 1.00 0.00 H new ATOM 0 HD2 TYR A 160 -5.098 6.052 3.983 1.00 0.00 H new ATOM 0 HE1 TYR A 160 -1.063 6.072 6.797 1.00 0.00 H new ATOM 0 HE2 TYR A 160 -4.108 8.186 4.688 1.00 0.00 H new ATOM 0 HH TYR A 160 -2.498 9.193 5.819 1.00 0.00 H new ATOM 992 N ILE A 161 -6.052 3.926 7.463 1.00 0.00 N ATOM 993 CA ILE A 161 -7.157 4.649 8.079 1.00 0.00 C ATOM 994 C ILE A 161 -6.999 6.155 7.896 1.00 0.00 C ATOM 995 O ILE A 161 -6.007 6.743 8.326 1.00 0.00 O ATOM 996 CB ILE A 161 -7.267 4.335 9.583 1.00 0.00 C ATOM 997 CG1 ILE A 161 -7.461 2.833 9.800 1.00 0.00 C ATOM 998 CG2 ILE A 161 -8.412 5.118 10.206 1.00 0.00 C ATOM 999 CD1 ILE A 161 -7.122 2.375 11.201 1.00 0.00 C ATOM 0 H ILE A 161 -5.239 3.803 8.067 1.00 0.00 H new ATOM 0 HA ILE A 161 -8.068 4.318 7.579 1.00 0.00 H new ATOM 0 HB ILE A 161 -6.340 4.637 10.070 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -8.497 2.574 9.583 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -6.840 2.288 9.088 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -8.476 4.885 11.269 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -8.234 6.186 10.079 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -9.347 4.845 9.718 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -7.283 1.300 11.281 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -6.078 2.602 11.415 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -7.760 2.892 11.917 1.00 0.00 H new