USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 372 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 134 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.243 K(o=-0.24,f=-1.8!) USER MOD Single : A 132 MET CE :methyl 151:sc= -0.363 (180deg=-1.39!) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.5!) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= 0.384 K(o=0.38,f=-4.8!) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 9.454 0.350 9.448 1.00 0.00 N ATOM 2 CA ASN A 126 8.504 -0.017 10.530 1.00 0.00 C ATOM 3 C ASN A 126 8.066 1.213 11.320 1.00 0.00 C ATOM 4 O ASN A 126 6.942 1.278 11.817 1.00 0.00 O ATOM 5 CB ASN A 126 9.187 -1.028 11.456 1.00 0.00 C ATOM 6 CG ASN A 126 8.409 -2.324 11.570 1.00 0.00 C ATOM 7 OD1 ASN A 126 7.212 -2.370 11.289 1.00 0.00 O ATOM 8 ND2 ASN A 126 9.089 -3.386 11.987 1.00 0.00 N ATOM 0 HA ASN A 126 7.610 -0.457 10.089 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.189 -1.240 11.082 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.303 -0.589 12.447 1.00 0.00 H new ATOM 0 HD21 ASN A 126 8.619 -4.286 12.085 1.00 0.00 H new ATOM 0 HD22 ASN A 126 10.081 -3.302 12.209 1.00 0.00 H new ATOM 17 N ARG A 127 8.964 2.187 11.433 1.00 0.00 N ATOM 18 CA ARG A 127 8.671 3.416 12.162 1.00 0.00 C ATOM 19 C ARG A 127 8.166 4.502 11.218 1.00 0.00 C ATOM 20 O ARG A 127 7.359 5.348 11.603 1.00 0.00 O ATOM 21 CB ARG A 127 9.920 3.903 12.902 1.00 0.00 C ATOM 22 CG ARG A 127 9.874 3.656 14.402 1.00 0.00 C ATOM 23 CD ARG A 127 10.846 2.563 14.820 1.00 0.00 C ATOM 24 NE ARG A 127 10.284 1.697 15.854 1.00 0.00 N ATOM 25 CZ ARG A 127 9.987 2.108 17.085 1.00 0.00 C ATOM 26 NH1 ARG A 127 10.199 3.369 17.439 1.00 0.00 N ATOM 27 NH2 ARG A 127 9.478 1.255 17.963 1.00 0.00 N ATOM 0 H ARG A 127 9.900 2.149 11.029 1.00 0.00 H new ATOM 0 HA ARG A 127 7.887 3.201 12.889 1.00 0.00 H new ATOM 0 HB2 ARG A 127 10.796 3.404 12.487 1.00 0.00 H new ATOM 0 HB3 ARG A 127 10.046 4.971 12.722 1.00 0.00 H new ATOM 0 HG2 ARG A 127 10.114 4.579 14.931 1.00 0.00 H new ATOM 0 HG3 ARG A 127 8.862 3.375 14.694 1.00 0.00 H new ATOM 0 HD2 ARG A 127 11.113 1.963 13.950 1.00 0.00 H new ATOM 0 HD3 ARG A 127 11.766 3.017 15.188 1.00 0.00 H new ATOM 0 HE ARG A 127 10.109 0.720 15.619 1.00 0.00 H new ATOM 0 HH11 ARG A 127 10.591 4.028 16.767 1.00 0.00 H new ATOM 0 HH12 ARG A 127 9.970 3.679 18.383 1.00 0.00 H new ATOM 0 HH21 ARG A 127 9.314 0.285 17.695 1.00 0.00 H new ATOM 0 HH22 ARG A 127 9.250 1.569 18.906 1.00 0.00 H new ATOM 41 N ARG A 128 8.647 4.472 9.978 1.00 0.00 N ATOM 42 CA ARG A 128 8.244 5.454 8.980 1.00 0.00 C ATOM 43 C ARG A 128 7.381 4.810 7.898 1.00 0.00 C ATOM 44 O ARG A 128 7.636 3.681 7.477 1.00 0.00 O ATOM 45 CB ARG A 128 9.478 6.103 8.347 1.00 0.00 C ATOM 46 CG ARG A 128 9.797 7.480 8.909 1.00 0.00 C ATOM 47 CD ARG A 128 9.852 8.534 7.815 1.00 0.00 C ATOM 48 NE ARG A 128 8.597 9.272 7.701 1.00 0.00 N ATOM 49 CZ ARG A 128 8.247 9.977 6.627 1.00 0.00 C ATOM 50 NH1 ARG A 128 9.053 10.044 5.576 1.00 0.00 N ATOM 51 NH2 ARG A 128 7.086 10.619 6.607 1.00 0.00 N ATOM 0 H ARG A 128 9.315 3.779 9.642 1.00 0.00 H new ATOM 0 HA ARG A 128 7.653 6.222 9.480 1.00 0.00 H new ATOM 0 HB2 ARG A 128 10.338 5.451 8.496 1.00 0.00 H new ATOM 0 HB3 ARG A 128 9.323 6.186 7.271 1.00 0.00 H new ATOM 0 HG2 ARG A 128 9.041 7.757 9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 128 10.753 7.447 9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 128 10.664 9.230 8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 128 10.079 8.056 6.862 1.00 0.00 H new ATOM 0 HE ARG A 128 7.951 9.246 8.490 1.00 0.00 H new ATOM 0 HH11 ARG A 128 9.947 9.554 5.587 1.00 0.00 H new ATOM 0 HH12 ARG A 128 8.779 10.586 4.757 1.00 0.00 H new ATOM 0 HH21 ARG A 128 6.463 10.572 7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 128 6.816 11.160 5.785 1.00 0.00 H new ATOM 65 N VAL A 129 6.359 5.534 7.455 1.00 0.00 N ATOM 66 CA VAL A 129 5.458 5.035 6.423 1.00 0.00 C ATOM 67 C VAL A 129 5.858 5.558 5.048 1.00 0.00 C ATOM 68 O VAL A 129 5.958 6.768 4.839 1.00 0.00 O ATOM 69 CB VAL A 129 3.998 5.436 6.708 1.00 0.00 C ATOM 70 CG1 VAL A 129 3.056 4.759 5.725 1.00 0.00 C ATOM 71 CG2 VAL A 129 3.618 5.096 8.143 1.00 0.00 C ATOM 0 H VAL A 129 6.134 6.469 7.795 1.00 0.00 H new ATOM 0 HA VAL A 129 5.535 3.948 6.433 1.00 0.00 H new ATOM 0 HB VAL A 129 3.907 6.515 6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.030 5.054 5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.313 5.059 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 129 3.149 3.677 5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.583 5.387 8.324 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.727 4.023 8.304 1.00 0.00 H new ATOM 0 HG23 VAL A 129 4.272 5.634 8.830 1.00 0.00 H new ATOM 81 N ILE A 130 6.089 4.642 4.113 1.00 0.00 N ATOM 82 CA ILE A 130 6.480 5.014 2.759 1.00 0.00 C ATOM 83 C ILE A 130 5.570 4.366 1.721 1.00 0.00 C ATOM 84 O ILE A 130 5.422 3.145 1.685 1.00 0.00 O ATOM 85 CB ILE A 130 7.939 4.611 2.467 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.860 5.097 3.586 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.385 5.173 1.124 1.00 0.00 C ATOM 88 CD1 ILE A 130 9.082 4.068 4.675 1.00 0.00 C ATOM 0 H ILE A 130 6.012 3.637 4.269 1.00 0.00 H new ATOM 0 HA ILE A 130 6.386 6.098 2.691 1.00 0.00 H new ATOM 0 HB ILE A 130 7.998 3.524 2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.823 5.375 3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.436 5.998 4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.417 4.880 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.744 4.781 0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.314 6.261 1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.745 4.480 5.436 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.126 3.807 5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 130 9.535 3.175 4.245 1.00 0.00 H new ATOM 100 N ALA A 131 4.961 5.194 0.878 1.00 0.00 N ATOM 101 CA ALA A 131 4.067 4.703 -0.164 1.00 0.00 C ATOM 102 C ALA A 131 3.697 5.818 -1.136 1.00 0.00 C ATOM 103 O ALA A 131 3.686 6.994 -0.772 1.00 0.00 O ATOM 104 CB ALA A 131 2.816 4.099 0.454 1.00 0.00 C ATOM 0 H ALA A 131 5.070 6.208 0.896 1.00 0.00 H new ATOM 0 HA ALA A 131 4.590 3.927 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.158 3.737 -0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.095 3.269 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.296 4.858 1.039 1.00 0.00 H new ATOM 110 N MET A 132 3.393 5.441 -2.374 1.00 0.00 N ATOM 111 CA MET A 132 3.022 6.411 -3.397 1.00 0.00 C ATOM 112 C MET A 132 1.560 6.825 -3.251 1.00 0.00 C ATOM 113 O MET A 132 0.733 6.053 -2.765 1.00 0.00 O ATOM 114 CB MET A 132 3.261 5.828 -4.791 1.00 0.00 C ATOM 115 CG MET A 132 4.669 5.290 -4.992 1.00 0.00 C ATOM 116 SD MET A 132 5.043 4.955 -6.724 1.00 0.00 S ATOM 117 CE MET A 132 4.828 6.582 -7.439 1.00 0.00 C ATOM 0 H MET A 132 3.396 4.472 -2.692 1.00 0.00 H new ATOM 0 HA MET A 132 3.646 7.295 -3.267 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.545 5.025 -4.968 1.00 0.00 H new ATOM 0 HB3 MET A 132 3.066 6.599 -5.537 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.388 6.010 -4.602 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.790 4.374 -4.414 1.00 0.00 H new ATOM 0 HE1 MET A 132 5.476 6.685 -8.310 1.00 0.00 H new ATOM 0 HE2 MET A 132 3.789 6.712 -7.742 1.00 0.00 H new ATOM 0 HE3 MET A 132 5.088 7.341 -6.701 1.00 0.00 H new ATOM 127 N PRO A 133 1.221 8.056 -3.671 1.00 0.00 N ATOM 128 CA PRO A 133 -0.150 8.570 -3.585 1.00 0.00 C ATOM 129 C PRO A 133 -1.164 7.612 -4.198 1.00 0.00 C ATOM 130 O PRO A 133 -2.284 7.477 -3.706 1.00 0.00 O ATOM 131 CB PRO A 133 -0.092 9.873 -4.384 1.00 0.00 C ATOM 132 CG PRO A 133 1.331 10.304 -4.304 1.00 0.00 C ATOM 133 CD PRO A 133 2.146 9.041 -4.264 1.00 0.00 C ATOM 0 HA PRO A 133 -0.473 8.704 -2.552 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.401 9.717 -5.418 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.758 10.626 -3.962 1.00 0.00 H new ATOM 0 HG2 PRO A 133 1.602 10.916 -5.164 1.00 0.00 H new ATOM 0 HG3 PRO A 133 1.506 10.909 -3.415 1.00 0.00 H new ATOM 0 HD2 PRO A 133 2.469 8.740 -5.260 1.00 0.00 H new ATOM 0 HD3 PRO A 133 3.045 9.162 -3.660 1.00 0.00 H new ATOM 141 N SER A 134 -0.764 6.943 -5.276 1.00 0.00 N ATOM 142 CA SER A 134 -1.637 5.994 -5.954 1.00 0.00 C ATOM 143 C SER A 134 -1.970 4.819 -5.042 1.00 0.00 C ATOM 144 O SER A 134 -3.066 4.262 -5.104 1.00 0.00 O ATOM 145 CB SER A 134 -0.976 5.486 -7.238 1.00 0.00 C ATOM 146 OG SER A 134 -1.348 6.280 -8.352 1.00 0.00 O ATOM 0 H SER A 134 0.160 7.042 -5.698 1.00 0.00 H new ATOM 0 HA SER A 134 -2.563 6.508 -6.210 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.108 5.500 -7.123 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.264 4.450 -7.414 1.00 0.00 H new ATOM 0 HG SER A 134 -0.911 5.936 -9.159 1.00 0.00 H new ATOM 152 N VAL A 135 -1.017 4.450 -4.192 1.00 0.00 N ATOM 153 CA VAL A 135 -1.206 3.343 -3.264 1.00 0.00 C ATOM 154 C VAL A 135 -2.106 3.752 -2.107 1.00 0.00 C ATOM 155 O VAL A 135 -3.062 3.052 -1.776 1.00 0.00 O ATOM 156 CB VAL A 135 0.139 2.836 -2.715 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.062 1.623 -1.818 1.00 0.00 C ATOM 158 CG2 VAL A 135 1.078 2.506 -3.863 1.00 0.00 C ATOM 0 H VAL A 135 -0.105 4.903 -4.127 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.683 2.535 -3.819 1.00 0.00 H new ATOM 0 HB VAL A 135 0.587 3.626 -2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.904 1.284 -1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.703 1.893 -0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.531 0.822 -2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 135 2.027 2.148 -3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.631 1.732 -4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 135 1.250 3.401 -4.461 1.00 0.00 H new ATOM 168 N ARG A 136 -1.803 4.894 -1.505 1.00 0.00 N ATOM 169 CA ARG A 136 -2.601 5.398 -0.394 1.00 0.00 C ATOM 170 C ARG A 136 -4.041 5.595 -0.841 1.00 0.00 C ATOM 171 O ARG A 136 -4.979 5.153 -0.177 1.00 0.00 O ATOM 172 CB ARG A 136 -2.028 6.717 0.125 1.00 0.00 C ATOM 173 CG ARG A 136 -1.003 6.540 1.231 1.00 0.00 C ATOM 174 CD ARG A 136 -1.606 6.810 2.603 1.00 0.00 C ATOM 175 NE ARG A 136 -0.734 7.638 3.430 1.00 0.00 N ATOM 176 CZ ARG A 136 -0.421 8.901 3.145 1.00 0.00 C ATOM 177 NH1 ARG A 136 -0.911 9.483 2.058 1.00 0.00 N ATOM 178 NH2 ARG A 136 0.380 9.583 3.951 1.00 0.00 N ATOM 0 H ARG A 136 -1.015 5.487 -1.765 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.573 4.668 0.415 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.567 7.255 -0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.844 7.338 0.493 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.606 5.525 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.164 7.216 1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.570 7.305 2.484 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.794 5.863 3.109 1.00 0.00 H new ATOM 0 HE ARG A 136 -0.341 7.225 4.276 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -1.530 8.963 1.436 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.668 10.450 1.844 1.00 0.00 H new ATOM 0 HH21 ARG A 136 0.757 9.141 4.789 1.00 0.00 H new ATOM 0 HH22 ARG A 136 0.620 10.550 3.733 1.00 0.00 H new ATOM 192 N LYS A 137 -4.202 6.241 -1.988 1.00 0.00 N ATOM 193 CA LYS A 137 -5.523 6.479 -2.550 1.00 0.00 C ATOM 194 C LYS A 137 -6.196 5.145 -2.858 1.00 0.00 C ATOM 195 O LYS A 137 -7.390 4.967 -2.616 1.00 0.00 O ATOM 196 CB LYS A 137 -5.412 7.334 -3.819 1.00 0.00 C ATOM 197 CG LYS A 137 -6.593 7.196 -4.767 1.00 0.00 C ATOM 198 CD LYS A 137 -6.432 8.081 -5.993 1.00 0.00 C ATOM 199 CE LYS A 137 -5.427 7.499 -6.973 1.00 0.00 C ATOM 200 NZ LYS A 137 -4.533 8.545 -7.541 1.00 0.00 N ATOM 0 H LYS A 137 -3.433 6.610 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.131 7.021 -1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.311 8.381 -3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -4.500 7.060 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -6.691 6.156 -5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.513 7.460 -4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -7.397 8.199 -6.487 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.108 9.075 -5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -4.826 6.742 -6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.958 6.997 -7.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -3.863 8.106 -8.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -5.104 9.254 -8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -4.007 9.007 -6.772 1.00 0.00 H new ATOM 214 N TRP A 138 -5.412 4.207 -3.382 1.00 0.00 N ATOM 215 CA TRP A 138 -5.920 2.884 -3.711 1.00 0.00 C ATOM 216 C TRP A 138 -6.456 2.205 -2.457 1.00 0.00 C ATOM 217 O TRP A 138 -7.580 1.699 -2.439 1.00 0.00 O ATOM 218 CB TRP A 138 -4.809 2.048 -4.352 1.00 0.00 C ATOM 219 CG TRP A 138 -5.132 0.592 -4.466 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.537 -0.428 -3.787 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.120 -0.005 -5.310 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.095 -1.628 -4.156 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.071 -1.394 -5.091 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.043 0.502 -6.229 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -6.909 -2.282 -5.759 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -7.874 -0.381 -6.891 1.00 0.00 C ATOM 227 CH2 TRP A 138 -7.803 -1.759 -6.653 1.00 0.00 C ATOM 0 H TRP A 138 -4.422 4.341 -3.587 1.00 0.00 H new ATOM 0 HA TRP A 138 -6.738 2.977 -4.425 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.600 2.442 -5.346 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -3.898 2.163 -3.765 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -3.743 -0.311 -3.064 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -4.827 -2.543 -3.794 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.105 1.564 -6.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -6.856 -3.345 -5.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -8.591 -0.002 -7.604 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.468 -2.423 -7.186 1.00 0.00 H new ATOM 238 N ALA A 139 -5.651 2.218 -1.402 1.00 0.00 N ATOM 239 CA ALA A 139 -6.045 1.627 -0.137 1.00 0.00 C ATOM 240 C ALA A 139 -7.288 2.324 0.400 1.00 0.00 C ATOM 241 O ALA A 139 -8.272 1.679 0.751 1.00 0.00 O ATOM 242 CB ALA A 139 -4.902 1.722 0.863 1.00 0.00 C ATOM 0 H ALA A 139 -4.719 2.633 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.279 0.574 -0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.208 1.276 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.034 1.190 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.644 2.769 1.023 1.00 0.00 H new ATOM 248 N ARG A 140 -7.240 3.651 0.443 1.00 0.00 N ATOM 249 CA ARG A 140 -8.367 4.442 0.923 1.00 0.00 C ATOM 250 C ARG A 140 -9.641 4.089 0.161 1.00 0.00 C ATOM 251 O ARG A 140 -10.743 4.172 0.702 1.00 0.00 O ATOM 252 CB ARG A 140 -8.067 5.935 0.780 1.00 0.00 C ATOM 253 CG ARG A 140 -9.052 6.827 1.519 1.00 0.00 C ATOM 254 CD ARG A 140 -8.392 8.109 2.001 1.00 0.00 C ATOM 255 NE ARG A 140 -7.558 7.886 3.181 1.00 0.00 N ATOM 256 CZ ARG A 140 -6.238 7.709 3.141 1.00 0.00 C ATOM 257 NH1 ARG A 140 -5.589 7.717 1.983 1.00 0.00 N ATOM 258 NH2 ARG A 140 -5.564 7.518 4.267 1.00 0.00 N ATOM 0 H ARG A 140 -6.432 4.202 0.151 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.520 4.211 1.977 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -7.061 6.132 1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.073 6.199 -0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.887 7.071 0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -9.465 6.287 2.371 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -7.782 8.526 1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -9.160 8.847 2.234 1.00 0.00 H new ATOM 0 HE ARG A 140 -8.016 7.865 4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -6.101 7.860 1.112 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -4.578 7.581 1.964 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -6.056 7.507 5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -4.553 7.382 4.240 1.00 0.00 H new ATOM 272 N GLU A 141 -9.481 3.694 -1.100 1.00 0.00 N ATOM 273 CA GLU A 141 -10.621 3.326 -1.933 1.00 0.00 C ATOM 274 C GLU A 141 -11.124 1.929 -1.583 1.00 0.00 C ATOM 275 O GLU A 141 -12.323 1.658 -1.638 1.00 0.00 O ATOM 276 CB GLU A 141 -10.238 3.387 -3.413 1.00 0.00 C ATOM 277 CG GLU A 141 -10.239 4.794 -3.985 1.00 0.00 C ATOM 278 CD GLU A 141 -10.578 4.823 -5.462 1.00 0.00 C ATOM 279 OE1 GLU A 141 -11.512 4.100 -5.871 1.00 0.00 O ATOM 280 OE2 GLU A 141 -9.911 5.568 -6.210 1.00 0.00 O ATOM 0 H GLU A 141 -8.576 3.621 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.423 4.039 -1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -9.247 2.953 -3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -10.932 2.771 -3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -10.959 5.404 -3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -9.258 5.245 -3.832 1.00 0.00 H new ATOM 287 N LYS A 142 -10.198 1.043 -1.227 1.00 0.00 N ATOM 288 CA LYS A 142 -10.546 -0.329 -0.871 1.00 0.00 C ATOM 289 C LYS A 142 -10.820 -0.474 0.627 1.00 0.00 C ATOM 290 O LYS A 142 -11.177 -1.555 1.096 1.00 0.00 O ATOM 291 CB LYS A 142 -9.421 -1.280 -1.284 1.00 0.00 C ATOM 292 CG LYS A 142 -9.003 -1.133 -2.739 1.00 0.00 C ATOM 293 CD LYS A 142 -9.498 -2.297 -3.585 1.00 0.00 C ATOM 294 CE LYS A 142 -10.450 -1.829 -4.675 1.00 0.00 C ATOM 295 NZ LYS A 142 -11.091 -2.974 -5.380 1.00 0.00 N ATOM 0 H LYS A 142 -9.201 1.251 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.460 -0.586 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.555 -1.103 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -9.742 -2.307 -1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.397 -0.199 -3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -7.916 -1.073 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -8.647 -2.807 -4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -10.002 -3.023 -2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -11.221 -1.195 -4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -9.906 -1.218 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -11.732 -2.614 -6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -10.357 -3.565 -5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -11.631 -3.543 -4.698 1.00 0.00 H new ATOM 309 N GLY A 143 -10.649 0.612 1.376 1.00 0.00 N ATOM 310 CA GLY A 143 -10.879 0.568 2.809 1.00 0.00 C ATOM 311 C GLY A 143 -9.649 0.128 3.584 1.00 0.00 C ATOM 312 O GLY A 143 -9.737 -0.204 4.766 1.00 0.00 O ATOM 0 H GLY A 143 -10.356 1.520 1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.188 1.555 3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.701 -0.116 3.021 1.00 0.00 H new ATOM 316 N VAL A 144 -8.500 0.125 2.913 1.00 0.00 N ATOM 317 CA VAL A 144 -7.246 -0.275 3.533 1.00 0.00 C ATOM 318 C VAL A 144 -6.380 0.937 3.862 1.00 0.00 C ATOM 319 O VAL A 144 -6.370 1.922 3.126 1.00 0.00 O ATOM 320 CB VAL A 144 -6.444 -1.219 2.618 1.00 0.00 C ATOM 321 CG1 VAL A 144 -5.228 -1.766 3.351 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.325 -2.352 2.112 1.00 0.00 C ATOM 0 H VAL A 144 -8.415 0.397 1.934 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.505 -0.797 4.454 1.00 0.00 H new ATOM 0 HB VAL A 144 -6.096 -0.650 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.673 -2.431 2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.586 -0.940 3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.553 -2.319 4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.740 -3.008 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.707 -2.922 2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -8.160 -1.939 1.547 1.00 0.00 H new ATOM 332 N ASP A 145 -5.649 0.852 4.968 1.00 0.00 N ATOM 333 CA ASP A 145 -4.770 1.936 5.387 1.00 0.00 C ATOM 334 C ASP A 145 -3.315 1.577 5.107 1.00 0.00 C ATOM 335 O ASP A 145 -2.862 0.483 5.431 1.00 0.00 O ATOM 336 CB ASP A 145 -4.963 2.234 6.874 1.00 0.00 C ATOM 337 CG ASP A 145 -4.404 3.587 7.270 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.177 3.785 7.137 1.00 0.00 O ATOM 339 OD2 ASP A 145 -5.192 4.449 7.712 1.00 0.00 O ATOM 0 H ASP A 145 -5.648 0.044 5.590 1.00 0.00 H new ATOM 0 HA ASP A 145 -5.026 2.829 4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -6.026 2.199 7.114 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.477 1.457 7.464 1.00 0.00 H new ATOM 344 N ILE A 146 -2.583 2.500 4.499 1.00 0.00 N ATOM 345 CA ILE A 146 -1.183 2.260 4.180 1.00 0.00 C ATOM 346 C ILE A 146 -0.364 2.010 5.446 1.00 0.00 C ATOM 347 O ILE A 146 0.646 1.306 5.418 1.00 0.00 O ATOM 348 CB ILE A 146 -0.579 3.443 3.386 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.553 2.951 2.486 1.00 0.00 C ATOM 350 CG2 ILE A 146 -0.085 4.541 4.321 1.00 0.00 C ATOM 351 CD1 ILE A 146 0.078 2.452 1.137 1.00 0.00 C ATOM 0 H ILE A 146 -2.933 3.416 4.218 1.00 0.00 H new ATOM 0 HA ILE A 146 -1.142 1.367 3.557 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.364 3.869 2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.265 3.762 2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 146 1.088 2.148 2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.334 5.358 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -0.918 4.913 4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 146 0.683 4.138 4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.934 2.118 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.611 1.620 1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.431 3.259 0.609 1.00 0.00 H new ATOM 363 N ARG A 147 -0.807 2.598 6.552 1.00 0.00 N ATOM 364 CA ARG A 147 -0.120 2.454 7.833 1.00 0.00 C ATOM 365 C ARG A 147 -0.068 0.997 8.294 1.00 0.00 C ATOM 366 O ARG A 147 0.734 0.645 9.159 1.00 0.00 O ATOM 367 CB ARG A 147 -0.808 3.309 8.899 1.00 0.00 C ATOM 368 CG ARG A 147 -0.813 4.795 8.577 1.00 0.00 C ATOM 369 CD ARG A 147 0.319 5.523 9.285 1.00 0.00 C ATOM 370 NE ARG A 147 0.696 6.753 8.593 1.00 0.00 N ATOM 371 CZ ARG A 147 1.386 7.741 9.159 1.00 0.00 C ATOM 372 NH1 ARG A 147 1.776 7.647 10.424 1.00 0.00 N ATOM 373 NH2 ARG A 147 1.687 8.825 8.457 1.00 0.00 N ATOM 0 H ARG A 147 -1.643 3.182 6.588 1.00 0.00 H new ATOM 0 HA ARG A 147 0.905 2.796 7.693 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -1.836 2.968 9.018 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.308 3.155 9.855 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.720 4.935 7.500 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.768 5.229 8.873 1.00 0.00 H new ATOM 0 HD2 ARG A 147 0.016 5.759 10.305 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.186 4.866 9.354 1.00 0.00 H new ATOM 0 HE ARG A 147 0.414 6.861 7.619 1.00 0.00 H new ATOM 0 HH11 ARG A 147 1.547 6.815 10.968 1.00 0.00 H new ATOM 0 HH12 ARG A 147 2.304 8.407 10.853 1.00 0.00 H new ATOM 0 HH21 ARG A 147 1.390 8.901 7.484 1.00 0.00 H new ATOM 0 HH22 ARG A 147 2.216 9.582 8.890 1.00 0.00 H new ATOM 387 N LEU A 148 -0.921 0.150 7.722 1.00 0.00 N ATOM 388 CA LEU A 148 -0.949 -1.265 8.097 1.00 0.00 C ATOM 389 C LEU A 148 -0.474 -2.152 6.954 1.00 0.00 C ATOM 390 O LEU A 148 -0.848 -3.321 6.871 1.00 0.00 O ATOM 391 CB LEU A 148 -2.353 -1.693 8.530 1.00 0.00 C ATOM 392 CG LEU A 148 -3.497 -1.076 7.730 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.751 -1.871 6.460 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.761 -1.008 8.568 1.00 0.00 C ATOM 0 H LEU A 148 -1.596 0.413 7.004 1.00 0.00 H new ATOM 0 HA LEU A 148 -0.267 -1.386 8.939 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.423 -2.778 8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.486 -1.436 9.581 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.209 -0.062 7.454 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.570 -1.416 5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.851 -1.872 5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -4.015 -2.896 6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.564 -0.565 7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -5.048 -2.014 8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.579 -0.396 9.452 1.00 0.00 H new ATOM 406 N VAL A 149 0.350 -1.597 6.074 1.00 0.00 N ATOM 407 CA VAL A 149 0.866 -2.356 4.942 1.00 0.00 C ATOM 408 C VAL A 149 2.386 -2.261 4.859 1.00 0.00 C ATOM 409 O VAL A 149 2.939 -1.204 4.555 1.00 0.00 O ATOM 410 CB VAL A 149 0.254 -1.871 3.614 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.670 -2.785 2.473 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.264 -1.797 3.720 1.00 0.00 C ATOM 0 H VAL A 149 0.673 -0.631 6.121 1.00 0.00 H new ATOM 0 HA VAL A 149 0.582 -3.396 5.104 1.00 0.00 H new ATOM 0 HB VAL A 149 0.630 -0.869 3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.229 -2.428 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.756 -2.784 2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.323 -3.799 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.679 -1.453 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.661 -2.785 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.540 -1.100 4.511 1.00 0.00 H new ATOM 422 N GLN A 150 3.056 -3.377 5.132 1.00 0.00 N ATOM 423 CA GLN A 150 4.513 -3.427 5.091 1.00 0.00 C ATOM 424 C GLN A 150 5.019 -3.311 3.657 1.00 0.00 C ATOM 425 O GLN A 150 5.314 -4.316 3.010 1.00 0.00 O ATOM 426 CB GLN A 150 5.016 -4.729 5.718 1.00 0.00 C ATOM 427 CG GLN A 150 6.341 -4.580 6.448 1.00 0.00 C ATOM 428 CD GLN A 150 6.426 -5.455 7.684 1.00 0.00 C ATOM 429 OE1 GLN A 150 5.420 -5.717 8.344 1.00 0.00 O ATOM 430 NE2 GLN A 150 7.632 -5.910 8.005 1.00 0.00 N ATOM 0 H GLN A 150 2.612 -4.260 5.384 1.00 0.00 H new ATOM 0 HA GLN A 150 4.899 -2.583 5.663 1.00 0.00 H new ATOM 0 HB2 GLN A 150 4.266 -5.100 6.416 1.00 0.00 H new ATOM 0 HB3 GLN A 150 5.124 -5.481 4.936 1.00 0.00 H new ATOM 0 HG2 GLN A 150 7.156 -4.834 5.770 1.00 0.00 H new ATOM 0 HG3 GLN A 150 6.479 -3.537 6.735 1.00 0.00 H new ATOM 0 HE21 GLN A 150 8.438 -5.668 7.429 1.00 0.00 H new ATOM 0 HE22 GLN A 150 7.752 -6.502 8.827 1.00 0.00 H new ATOM 439 N GLY A 151 5.117 -2.080 3.166 1.00 0.00 N ATOM 440 CA GLY A 151 5.587 -1.857 1.812 1.00 0.00 C ATOM 441 C GLY A 151 6.966 -2.438 1.572 1.00 0.00 C ATOM 442 O GLY A 151 7.894 -2.195 2.343 1.00 0.00 O ATOM 0 H GLY A 151 4.879 -1.233 3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.882 -2.301 1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.608 -0.786 1.610 1.00 0.00 H new ATOM 446 N THR A 152 7.102 -3.209 0.498 1.00 0.00 N ATOM 447 CA THR A 152 8.379 -3.828 0.156 1.00 0.00 C ATOM 448 C THR A 152 8.879 -3.333 -1.198 1.00 0.00 C ATOM 449 O THR A 152 9.628 -4.029 -1.885 1.00 0.00 O ATOM 450 CB THR A 152 8.242 -5.351 0.137 1.00 0.00 C ATOM 451 OG1 THR A 152 7.131 -5.765 0.913 1.00 0.00 O ATOM 452 CG2 THR A 152 9.465 -6.067 0.667 1.00 0.00 C ATOM 0 H THR A 152 6.344 -3.420 -0.151 1.00 0.00 H new ATOM 0 HA THR A 152 9.107 -3.545 0.917 1.00 0.00 H new ATOM 0 HB THR A 152 8.111 -5.617 -0.912 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.060 -6.742 0.887 1.00 0.00 H new ATOM 0 HG21 THR A 152 9.302 -7.144 0.626 1.00 0.00 H new ATOM 0 HG22 THR A 152 10.331 -5.807 0.058 1.00 0.00 H new ATOM 0 HG23 THR A 152 9.644 -5.766 1.699 1.00 0.00 H new ATOM 460 N GLY A 153 8.457 -2.131 -1.580 1.00 0.00 N ATOM 461 CA GLY A 153 8.869 -1.570 -2.854 1.00 0.00 C ATOM 462 C GLY A 153 10.243 -0.928 -2.795 1.00 0.00 C ATOM 463 O GLY A 153 10.393 0.186 -2.295 1.00 0.00 O ATOM 0 H GLY A 153 7.837 -1.536 -1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.872 -2.357 -3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.138 -0.826 -3.172 1.00 0.00 H new ATOM 467 N LYS A 154 11.243 -1.632 -3.316 1.00 0.00 N ATOM 468 CA LYS A 154 12.615 -1.131 -3.332 1.00 0.00 C ATOM 469 C LYS A 154 13.099 -0.785 -1.924 1.00 0.00 C ATOM 470 O LYS A 154 13.742 -1.601 -1.264 1.00 0.00 O ATOM 471 CB LYS A 154 12.720 0.091 -4.251 1.00 0.00 C ATOM 472 CG LYS A 154 14.106 0.721 -4.276 1.00 0.00 C ATOM 473 CD LYS A 154 14.796 0.500 -5.612 1.00 0.00 C ATOM 474 CE LYS A 154 14.139 1.308 -6.718 1.00 0.00 C ATOM 475 NZ LYS A 154 15.126 1.763 -7.736 1.00 0.00 N ATOM 0 H LYS A 154 11.129 -2.555 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 154 13.259 -1.922 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 154 12.446 -0.203 -5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 154 11.996 0.840 -3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 154 14.024 1.790 -4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 154 14.714 0.296 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 154 15.846 0.779 -5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 154 14.767 -0.559 -5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 154 13.371 0.704 -7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 154 13.638 2.174 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 14.637 2.311 -8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 15.845 2.361 -7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 15.586 0.936 -8.167 1.00 0.00 H new ATOM 489 N ASN A 155 12.790 0.427 -1.468 1.00 0.00 N ATOM 490 CA ASN A 155 13.200 0.871 -0.140 1.00 0.00 C ATOM 491 C ASN A 155 12.182 0.462 0.925 1.00 0.00 C ATOM 492 O ASN A 155 12.363 0.749 2.108 1.00 0.00 O ATOM 493 CB ASN A 155 13.389 2.389 -0.122 1.00 0.00 C ATOM 494 CG ASN A 155 12.219 3.126 -0.746 1.00 0.00 C ATOM 495 OD1 ASN A 155 11.855 2.876 -1.894 1.00 0.00 O ATOM 496 ND2 ASN A 155 11.625 4.043 0.009 1.00 0.00 N ATOM 0 H ASN A 155 12.258 1.117 -1.998 1.00 0.00 H new ATOM 0 HA ASN A 155 14.148 0.387 0.093 1.00 0.00 H new ATOM 0 HB2 ASN A 155 13.518 2.724 0.907 1.00 0.00 H new ATOM 0 HB3 ASN A 155 14.303 2.645 -0.658 1.00 0.00 H new ATOM 0 HD21 ASN A 155 10.834 4.572 -0.359 1.00 0.00 H new ATOM 0 HD22 ASN A 155 11.960 4.218 0.956 1.00 0.00 H new ATOM 503 N GLY A 156 11.112 -0.209 0.502 1.00 0.00 N ATOM 504 CA GLY A 156 10.094 -0.639 1.440 1.00 0.00 C ATOM 505 C GLY A 156 8.812 0.161 1.318 1.00 0.00 C ATOM 506 O GLY A 156 8.054 0.280 2.280 1.00 0.00 O ATOM 0 H GLY A 156 10.935 -0.461 -0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.876 -1.694 1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.479 -0.548 2.456 1.00 0.00 H new ATOM 510 N ARG A 157 8.568 0.711 0.133 1.00 0.00 N ATOM 511 CA ARG A 157 7.365 1.502 -0.104 1.00 0.00 C ATOM 512 C ARG A 157 6.222 0.620 -0.597 1.00 0.00 C ATOM 513 O ARG A 157 6.402 -0.206 -1.492 1.00 0.00 O ATOM 514 CB ARG A 157 7.645 2.612 -1.119 1.00 0.00 C ATOM 515 CG ARG A 157 8.255 2.109 -2.417 1.00 0.00 C ATOM 516 CD ARG A 157 7.813 2.951 -3.604 1.00 0.00 C ATOM 517 NE ARG A 157 8.782 3.996 -3.928 1.00 0.00 N ATOM 518 CZ ARG A 157 8.797 5.200 -3.358 1.00 0.00 C ATOM 519 NH1 ARG A 157 7.900 5.519 -2.432 1.00 0.00 N ATOM 520 NH2 ARG A 157 9.716 6.088 -3.713 1.00 0.00 N ATOM 0 H ARG A 157 9.184 0.624 -0.675 1.00 0.00 H new ATOM 0 HA ARG A 157 7.069 1.955 0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 157 6.714 3.132 -1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 157 8.318 3.342 -0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 157 9.342 2.128 -2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 157 7.965 1.071 -2.578 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.671 2.307 -4.472 1.00 0.00 H new ATOM 0 HD3 ARG A 157 6.848 3.408 -3.385 1.00 0.00 H new ATOM 0 HE ARG A 157 9.490 3.791 -4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 157 7.192 4.840 -2.152 1.00 0.00 H new ATOM 0 HH12 ARG A 157 7.919 6.443 -2.001 1.00 0.00 H new ATOM 0 HH21 ARG A 157 10.410 5.849 -4.421 1.00 0.00 H new ATOM 0 HH22 ARG A 157 9.729 7.010 -3.278 1.00 0.00 H new ATOM 534 N VAL A 158 5.047 0.802 -0.005 1.00 0.00 N ATOM 535 CA VAL A 158 3.871 0.026 -0.379 1.00 0.00 C ATOM 536 C VAL A 158 3.403 0.380 -1.787 1.00 0.00 C ATOM 537 O VAL A 158 3.055 1.527 -2.067 1.00 0.00 O ATOM 538 CB VAL A 158 2.713 0.257 0.613 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.525 -0.629 0.269 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.175 0.008 2.040 1.00 0.00 C ATOM 0 H VAL A 158 4.884 1.482 0.738 1.00 0.00 H new ATOM 0 HA VAL A 158 4.159 -1.025 -0.352 1.00 0.00 H new ATOM 0 HB VAL A 158 2.395 1.297 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.719 -0.450 0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.178 -0.397 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 158 1.826 -1.676 0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.345 0.176 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.522 -1.021 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 158 3.990 0.690 2.283 1.00 0.00 H new ATOM 550 N LEU A 159 3.394 -0.615 -2.669 1.00 0.00 N ATOM 551 CA LEU A 159 2.966 -0.411 -4.048 1.00 0.00 C ATOM 552 C LEU A 159 1.613 -1.069 -4.298 1.00 0.00 C ATOM 553 O LEU A 159 1.100 -1.798 -3.447 1.00 0.00 O ATOM 554 CB LEU A 159 4.004 -0.982 -5.019 1.00 0.00 C ATOM 555 CG LEU A 159 5.463 -0.797 -4.598 1.00 0.00 C ATOM 556 CD1 LEU A 159 6.345 -1.843 -5.263 1.00 0.00 C ATOM 557 CD2 LEU A 159 5.941 0.605 -4.943 1.00 0.00 C ATOM 0 H LEU A 159 3.678 -1.570 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 159 2.871 0.662 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.812 -2.047 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 159 3.862 -0.514 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 159 5.532 -0.927 -3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.380 -1.697 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 159 6.015 -2.839 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.274 -1.744 -6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 159 6.981 0.720 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 159 5.860 0.763 -6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.326 1.338 -4.421 1.00 0.00 H new ATOM 569 N LYS A 160 1.040 -0.811 -5.471 1.00 0.00 N ATOM 570 CA LYS A 160 -0.254 -1.384 -5.831 1.00 0.00 C ATOM 571 C LYS A 160 -0.250 -2.896 -5.630 1.00 0.00 C ATOM 572 O LYS A 160 -1.282 -3.495 -5.327 1.00 0.00 O ATOM 573 CB LYS A 160 -0.601 -1.051 -7.284 1.00 0.00 C ATOM 574 CG LYS A 160 -2.095 -0.966 -7.547 1.00 0.00 C ATOM 575 CD LYS A 160 -2.431 -1.328 -8.985 1.00 0.00 C ATOM 576 CE LYS A 160 -2.120 -2.787 -9.280 1.00 0.00 C ATOM 577 NZ LYS A 160 -2.969 -3.325 -10.379 1.00 0.00 N ATOM 0 H LYS A 160 1.450 -0.211 -6.186 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.011 -0.948 -5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.139 -0.101 -7.551 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -0.168 -1.810 -7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.623 -1.637 -6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.446 0.044 -7.334 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -3.487 -1.135 -9.173 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -1.865 -0.690 -9.664 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -1.069 -2.886 -9.551 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.274 -3.380 -8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -2.726 -4.322 -10.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -3.971 -3.254 -10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.804 -2.775 -11.246 1.00 0.00 H new ATOM 591 N GLU A 161 0.920 -3.505 -5.792 1.00 0.00 N ATOM 592 CA GLU A 161 1.062 -4.944 -5.620 1.00 0.00 C ATOM 593 C GLU A 161 0.950 -5.319 -4.147 1.00 0.00 C ATOM 594 O GLU A 161 0.342 -6.331 -3.796 1.00 0.00 O ATOM 595 CB GLU A 161 2.405 -5.418 -6.180 1.00 0.00 C ATOM 596 CG GLU A 161 2.625 -6.916 -6.048 1.00 0.00 C ATOM 597 CD GLU A 161 3.724 -7.426 -6.960 1.00 0.00 C ATOM 598 OE1 GLU A 161 3.505 -7.464 -8.189 1.00 0.00 O ATOM 599 OE2 GLU A 161 4.801 -7.789 -6.444 1.00 0.00 O ATOM 0 H GLU A 161 1.783 -3.023 -6.042 1.00 0.00 H new ATOM 0 HA GLU A 161 0.259 -5.436 -6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 161 2.468 -5.141 -7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 161 3.210 -4.894 -5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 161 2.877 -7.153 -5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 161 1.696 -7.438 -6.278 1.00 0.00 H new ATOM 606 N ASP A 162 1.534 -4.490 -3.286 1.00 0.00 N ATOM 607 CA ASP A 162 1.492 -4.730 -1.850 1.00 0.00 C ATOM 608 C ASP A 162 0.057 -4.676 -1.344 1.00 0.00 C ATOM 609 O ASP A 162 -0.402 -5.587 -0.656 1.00 0.00 O ATOM 610 CB ASP A 162 2.349 -3.701 -1.111 1.00 0.00 C ATOM 611 CG ASP A 162 3.834 -3.981 -1.247 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.208 -5.169 -1.339 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.622 -3.012 -1.259 1.00 0.00 O ATOM 0 H ASP A 162 2.041 -3.648 -3.559 1.00 0.00 H new ATOM 0 HA ASP A 162 1.894 -5.724 -1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 162 2.133 -2.706 -1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.078 -3.697 -0.055 1.00 0.00 H new ATOM 618 N ILE A 163 -0.653 -3.610 -1.701 1.00 0.00 N ATOM 619 CA ILE A 163 -2.042 -3.454 -1.290 1.00 0.00 C ATOM 620 C ILE A 163 -2.880 -4.612 -1.817 1.00 0.00 C ATOM 621 O ILE A 163 -3.593 -5.275 -1.060 1.00 0.00 O ATOM 622 CB ILE A 163 -2.640 -2.126 -1.793 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.740 -0.951 -1.405 1.00 0.00 C ATOM 624 CG2 ILE A 163 -4.041 -1.931 -1.230 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.566 -0.790 0.089 1.00 0.00 C ATOM 0 H ILE A 163 -0.291 -2.846 -2.271 1.00 0.00 H new ATOM 0 HA ILE A 163 -2.059 -3.448 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.704 -2.165 -2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.761 -1.087 -1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.159 -0.032 -1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.451 -0.989 -1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.680 -2.753 -1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -3.996 -1.911 -0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -0.916 0.062 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.538 -0.622 0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.118 -1.693 0.503 1.00 0.00 H new ATOM 637 N ASP A 164 -2.776 -4.863 -3.121 1.00 0.00 N ATOM 638 CA ASP A 164 -3.511 -5.953 -3.750 1.00 0.00 C ATOM 639 C ASP A 164 -3.220 -7.267 -3.035 1.00 0.00 C ATOM 640 O ASP A 164 -4.080 -8.144 -2.948 1.00 0.00 O ATOM 641 CB ASP A 164 -3.135 -6.066 -5.229 1.00 0.00 C ATOM 642 CG ASP A 164 -4.212 -6.751 -6.048 1.00 0.00 C ATOM 643 OD1 ASP A 164 -5.335 -6.208 -6.125 1.00 0.00 O ATOM 644 OD2 ASP A 164 -3.934 -7.829 -6.612 1.00 0.00 O ATOM 0 H ASP A 164 -2.190 -4.326 -3.760 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.577 -5.740 -3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -2.954 -5.070 -5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -2.202 -6.622 -5.323 1.00 0.00 H new ATOM 649 N ALA A 165 -2.005 -7.385 -2.510 1.00 0.00 N ATOM 650 CA ALA A 165 -1.601 -8.581 -1.785 1.00 0.00 C ATOM 651 C ALA A 165 -2.170 -8.556 -0.373 1.00 0.00 C ATOM 652 O ALA A 165 -2.505 -9.596 0.195 1.00 0.00 O ATOM 653 CB ALA A 165 -0.084 -8.693 -1.746 1.00 0.00 C ATOM 0 H ALA A 165 -1.284 -6.666 -2.574 1.00 0.00 H new ATOM 0 HA ALA A 165 -1.996 -9.454 -2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.201 -9.593 -1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.303 -8.748 -2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.333 -7.818 -1.246 1.00 0.00 H new ATOM 659 N PHE A 166 -2.289 -7.352 0.181 1.00 0.00 N ATOM 660 CA PHE A 166 -2.832 -7.175 1.520 1.00 0.00 C ATOM 661 C PHE A 166 -4.263 -7.694 1.584 1.00 0.00 C ATOM 662 O PHE A 166 -4.667 -8.322 2.563 1.00 0.00 O ATOM 663 CB PHE A 166 -2.791 -5.696 1.911 1.00 0.00 C ATOM 664 CG PHE A 166 -3.380 -5.413 3.263 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.753 -5.357 3.437 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.559 -5.206 4.359 1.00 0.00 C ATOM 667 CE1 PHE A 166 -5.297 -5.100 4.681 1.00 0.00 C ATOM 668 CE2 PHE A 166 -3.097 -4.947 5.604 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.468 -4.894 5.766 1.00 0.00 C ATOM 0 H PHE A 166 -2.015 -6.484 -0.280 1.00 0.00 H new ATOM 0 HA PHE A 166 -2.223 -7.744 2.222 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.756 -5.354 1.896 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -3.329 -5.116 1.161 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -5.405 -5.516 2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.487 -5.248 4.239 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -6.369 -5.060 4.805 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.446 -4.786 6.451 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.891 -4.692 6.739 1.00 0.00 H new ATOM 679 N LEU A 167 -5.026 -7.425 0.529 1.00 0.00 N ATOM 680 CA LEU A 167 -6.411 -7.857 0.453 1.00 0.00 C ATOM 681 C LEU A 167 -6.506 -9.306 -0.016 1.00 0.00 C ATOM 682 O LEU A 167 -7.356 -10.065 0.448 1.00 0.00 O ATOM 683 CB LEU A 167 -7.187 -6.950 -0.500 1.00 0.00 C ATOM 684 CG LEU A 167 -7.434 -5.529 0.010 1.00 0.00 C ATOM 685 CD1 LEU A 167 -8.014 -5.556 1.417 1.00 0.00 C ATOM 686 CD2 LEU A 167 -6.146 -4.719 -0.028 1.00 0.00 C ATOM 0 H LEU A 167 -4.703 -6.907 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.846 -7.791 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -6.644 -6.891 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -8.149 -7.414 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 167 -8.160 -5.049 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -8.182 -4.535 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -8.960 -6.097 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -7.316 -6.055 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -6.339 -3.711 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -5.397 -5.197 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -5.778 -4.669 -1.053 1.00 0.00 H new ATOM 698 N ALA A 168 -5.628 -9.678 -0.940 1.00 0.00 N ATOM 699 CA ALA A 168 -5.611 -11.034 -1.476 1.00 0.00 C ATOM 700 C ALA A 168 -4.557 -11.888 -0.780 1.00 0.00 C ATOM 701 O ALA A 168 -3.984 -12.797 -1.380 1.00 0.00 O ATOM 702 CB ALA A 168 -5.361 -11.004 -2.977 1.00 0.00 C ATOM 0 H ALA A 168 -4.919 -9.060 -1.334 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.586 -11.484 -1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -5.351 -12.023 -3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -6.153 -10.437 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -4.400 -10.530 -3.176 1.00 0.00 H new ATOM 708 N GLY A 169 -4.305 -11.590 0.491 1.00 0.00 N ATOM 709 CA GLY A 169 -3.322 -12.340 1.248 1.00 0.00 C ATOM 710 C GLY A 169 -3.939 -13.484 2.027 1.00 0.00 C ATOM 711 O GLY A 169 -3.330 -14.544 2.174 1.00 0.00 O ATOM 0 H GLY A 169 -4.765 -10.842 1.010 1.00 0.00 H new ATOM 0 HA2 GLY A 169 -2.567 -12.734 0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 169 -2.810 -11.669 1.938 1.00 0.00 H new ATOM 715 N GLY A 170 -5.152 -13.271 2.528 1.00 0.00 N ATOM 716 CA GLY A 170 -5.833 -14.301 3.289 1.00 0.00 C ATOM 717 C GLY A 170 -7.342 -14.174 3.216 1.00 0.00 C ATOM 718 O GLY A 170 -7.835 -13.450 2.325 1.00 0.00 O ATOM 719 OXT GLY A 170 -8.031 -14.799 4.050 1.00 0.00 O ATOM 0 H GLY A 170 -5.675 -12.402 2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 170 -5.535 -15.281 2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 170 -5.517 -14.248 4.331 1.00 0.00 H new TER 723 GLY A 170