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 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 155 ASN : amide:sc= -0.0105 X(o=-0.011,f=0) USER MOD Single : A 126 ASN : amide:sc= -0.839 K(o=-0.84,f=0.19!) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 TYR OH : rot 121:sc= 0.173 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -2.680 12.807 -10.177 1.00 0.00 N ATOM 2 CA ASN A 126 -2.914 12.030 -8.932 1.00 0.00 C ATOM 3 C ASN A 126 -4.109 11.095 -9.081 1.00 0.00 C ATOM 4 O ASN A 126 -4.694 10.987 -10.159 1.00 0.00 O ATOM 5 CB ASN A 126 -3.153 13.014 -7.783 1.00 0.00 C ATOM 6 CG ASN A 126 -2.031 14.025 -7.649 1.00 0.00 C ATOM 7 OD1 ASN A 126 -1.192 14.162 -8.538 1.00 0.00 O ATOM 8 ND2 ASN A 126 -2.012 14.741 -6.529 1.00 0.00 N ATOM 0 HA ASN A 126 -2.040 11.413 -8.725 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -4.094 13.539 -7.947 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -3.254 12.461 -6.849 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -1.281 15.437 -6.381 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -2.728 14.594 -5.818 1.00 0.00 H new ATOM 17 N ARG A 127 -4.468 10.420 -7.994 1.00 0.00 N ATOM 18 CA ARG A 127 -5.593 9.494 -8.006 1.00 0.00 C ATOM 19 C ARG A 127 -5.368 8.377 -9.020 1.00 0.00 C ATOM 20 O ARG A 127 -6.076 8.280 -10.023 1.00 0.00 O ATOM 21 CB ARG A 127 -6.890 10.240 -8.327 1.00 0.00 C ATOM 22 CG ARG A 127 -8.124 9.616 -7.696 1.00 0.00 C ATOM 23 CD ARG A 127 -9.388 9.995 -8.449 1.00 0.00 C ATOM 24 NE ARG A 127 -9.774 11.382 -8.205 1.00 0.00 N ATOM 25 CZ ARG A 127 -10.388 11.797 -7.099 1.00 0.00 C ATOM 26 NH1 ARG A 127 -10.685 10.936 -6.133 1.00 0.00 N ATOM 27 NH2 ARG A 127 -10.705 13.077 -6.958 1.00 0.00 N ATOM 0 H ARG A 127 -3.995 10.497 -7.093 1.00 0.00 H new ATOM 0 HA ARG A 127 -5.675 9.047 -7.015 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.800 11.271 -7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -7.022 10.272 -9.408 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -8.018 8.531 -7.684 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -8.207 9.940 -6.659 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -9.233 9.844 -9.517 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -10.201 9.334 -8.149 1.00 0.00 H new ATOM 0 HE ARG A 127 -9.561 12.073 -8.924 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -10.443 9.951 -6.236 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -11.155 11.260 -5.288 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -10.478 13.743 -7.697 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -11.175 13.396 -6.111 1.00 0.00 H new ATOM 41 N ARG A 128 -4.374 7.535 -8.754 1.00 0.00 N ATOM 42 CA ARG A 128 -4.054 6.425 -9.644 1.00 0.00 C ATOM 43 C ARG A 128 -4.333 5.086 -8.971 1.00 0.00 C ATOM 44 O ARG A 128 -4.753 4.128 -9.621 1.00 0.00 O ATOM 45 CB ARG A 128 -2.588 6.495 -10.075 1.00 0.00 C ATOM 46 CG ARG A 128 -2.244 7.749 -10.862 1.00 0.00 C ATOM 47 CD ARG A 128 -0.778 8.121 -10.704 1.00 0.00 C ATOM 48 NE ARG A 128 -0.521 9.507 -11.087 1.00 0.00 N ATOM 49 CZ ARG A 128 -0.423 9.922 -12.348 1.00 0.00 C ATOM 50 NH1 ARG A 128 -0.558 9.063 -13.350 1.00 0.00 N ATOM 51 NH2 ARG A 128 -0.188 11.202 -12.608 1.00 0.00 N ATOM 0 H ARG A 128 -3.777 7.600 -7.930 1.00 0.00 H new ATOM 0 HA ARG A 128 -4.690 6.507 -10.525 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -1.955 6.447 -9.189 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -2.354 5.620 -10.681 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -2.469 7.591 -11.917 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -2.869 8.575 -10.523 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -0.475 7.969 -9.668 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -0.167 7.457 -11.315 1.00 0.00 H new ATOM 0 HE ARG A 128 -0.410 10.197 -10.344 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -0.738 8.078 -13.156 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -0.482 9.388 -14.314 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -0.083 11.867 -11.842 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.113 11.521 -13.574 1.00 0.00 H new ATOM 65 N VAL A 129 -4.096 5.025 -7.666 1.00 0.00 N ATOM 66 CA VAL A 129 -4.321 3.802 -6.904 1.00 0.00 C ATOM 67 C VAL A 129 -4.979 4.102 -5.563 1.00 0.00 C ATOM 68 O VAL A 129 -4.901 5.223 -5.059 1.00 0.00 O ATOM 69 CB VAL A 129 -3.004 3.040 -6.649 1.00 0.00 C ATOM 70 CG1 VAL A 129 -3.292 1.591 -6.295 1.00 0.00 C ATOM 71 CG2 VAL A 129 -2.081 3.125 -7.857 1.00 0.00 C ATOM 0 H VAL A 129 -3.748 5.808 -7.113 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.983 3.179 -7.505 1.00 0.00 H new ATOM 0 HB VAL A 129 -2.496 3.509 -5.806 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -2.353 1.066 -6.118 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -3.905 1.551 -5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.824 1.114 -7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -1.160 2.580 -7.650 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.575 2.687 -8.724 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.846 4.169 -8.062 1.00 0.00 H new ATOM 81 N ILE A 130 -5.624 3.093 -4.985 1.00 0.00 N ATOM 82 CA ILE A 130 -6.291 3.249 -3.699 1.00 0.00 C ATOM 83 C ILE A 130 -5.337 2.951 -2.550 1.00 0.00 C ATOM 84 O ILE A 130 -4.824 1.840 -2.424 1.00 0.00 O ATOM 85 CB ILE A 130 -7.522 2.333 -3.585 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.402 2.487 -4.819 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.313 2.658 -2.326 1.00 0.00 C ATOM 88 CD1 ILE A 130 -9.424 1.384 -4.978 1.00 0.00 C ATOM 0 H ILE A 130 -5.698 2.159 -5.388 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.619 4.287 -3.637 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.184 1.299 -3.520 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -8.919 3.445 -4.768 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.768 2.514 -5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.180 2.001 -2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.680 2.511 -1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.646 3.695 -2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -10.013 1.561 -5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -8.914 0.424 -5.061 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -10.083 1.370 -4.110 1.00 0.00 H new ATOM 100 N ALA A 131 -5.107 3.955 -1.717 1.00 0.00 N ATOM 101 CA ALA A 131 -4.212 3.812 -0.574 1.00 0.00 C ATOM 102 C ALA A 131 -4.307 5.018 0.354 1.00 0.00 C ATOM 103 O ALA A 131 -4.517 6.145 -0.096 1.00 0.00 O ATOM 104 CB ALA A 131 -2.779 3.620 -1.050 1.00 0.00 C ATOM 0 H ALA A 131 -5.528 4.880 -1.810 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.519 2.931 -0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.120 3.514 -0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.717 2.723 -1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.472 4.485 -1.638 1.00 0.00 H new ATOM 110 N MET A 132 -4.149 4.775 1.649 1.00 0.00 N ATOM 111 CA MET A 132 -4.215 5.841 2.641 1.00 0.00 C ATOM 112 C MET A 132 -3.147 6.898 2.372 1.00 0.00 C ATOM 113 O MET A 132 -2.058 6.583 1.891 1.00 0.00 O ATOM 114 CB MET A 132 -4.042 5.265 4.048 1.00 0.00 C ATOM 115 CG MET A 132 -5.345 5.152 4.824 1.00 0.00 C ATOM 116 SD MET A 132 -5.480 6.372 6.145 1.00 0.00 S ATOM 117 CE MET A 132 -4.724 5.484 7.504 1.00 0.00 C ATOM 0 H MET A 132 -3.974 3.848 2.037 1.00 0.00 H new ATOM 0 HA MET A 132 -5.194 6.315 2.569 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.586 4.278 3.974 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.350 5.895 4.607 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.183 5.272 4.137 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.423 4.152 5.250 1.00 0.00 H new ATOM 0 HE1 MET A 132 -4.732 6.109 8.397 1.00 0.00 H new ATOM 0 HE2 MET A 132 -5.284 4.569 7.697 1.00 0.00 H new ATOM 0 HE3 MET A 132 -3.695 5.232 7.247 1.00 0.00 H new ATOM 127 N PRO A 133 -3.445 8.173 2.680 1.00 0.00 N ATOM 128 CA PRO A 133 -2.503 9.277 2.468 1.00 0.00 C ATOM 129 C PRO A 133 -1.135 9.000 3.085 1.00 0.00 C ATOM 130 O PRO A 133 -0.126 9.560 2.656 1.00 0.00 O ATOM 131 CB PRO A 133 -3.176 10.458 3.170 1.00 0.00 C ATOM 132 CG PRO A 133 -4.629 10.134 3.148 1.00 0.00 C ATOM 133 CD PRO A 133 -4.721 8.637 3.258 1.00 0.00 C ATOM 0 HA PRO A 133 -2.308 9.447 1.409 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.811 10.572 4.191 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -2.972 11.395 2.652 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -5.149 10.619 3.974 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -5.094 10.487 2.227 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.833 8.316 4.294 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.577 8.245 2.708 1.00 0.00 H new ATOM 141 N SER A 134 -1.109 8.136 4.095 1.00 0.00 N ATOM 142 CA SER A 134 0.136 7.791 4.772 1.00 0.00 C ATOM 143 C SER A 134 0.795 6.577 4.124 1.00 0.00 C ATOM 144 O SER A 134 2.020 6.507 4.018 1.00 0.00 O ATOM 145 CB SER A 134 -0.126 7.512 6.252 1.00 0.00 C ATOM 146 OG SER A 134 0.001 8.693 7.025 1.00 0.00 O ATOM 0 H SER A 134 -1.935 7.663 4.462 1.00 0.00 H new ATOM 0 HA SER A 134 0.814 8.639 4.681 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.127 7.099 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 134 0.576 6.760 6.613 1.00 0.00 H new ATOM 0 HG SER A 134 -0.173 8.488 7.967 1.00 0.00 H new ATOM 152 N VAL A 135 -0.022 5.620 3.693 1.00 0.00 N ATOM 153 CA VAL A 135 0.493 4.411 3.061 1.00 0.00 C ATOM 154 C VAL A 135 1.214 4.732 1.765 1.00 0.00 C ATOM 155 O VAL A 135 2.292 4.207 1.499 1.00 0.00 O ATOM 156 CB VAL A 135 -0.622 3.400 2.764 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.038 2.127 2.173 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.410 3.101 4.024 1.00 0.00 C ATOM 0 H VAL A 135 -1.038 5.658 3.770 1.00 0.00 H new ATOM 0 HA VAL A 135 1.192 3.970 3.771 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.303 3.833 2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.841 1.419 1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.484 2.363 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.663 1.685 2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.198 2.382 3.798 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.744 2.684 4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.856 4.021 4.401 1.00 0.00 H new ATOM 168 N ARG A 136 0.618 5.599 0.962 1.00 0.00 N ATOM 169 CA ARG A 136 1.222 5.985 -0.304 1.00 0.00 C ATOM 170 C ARG A 136 2.636 6.498 -0.064 1.00 0.00 C ATOM 171 O ARG A 136 3.518 6.340 -0.905 1.00 0.00 O ATOM 172 CB ARG A 136 0.379 7.062 -0.992 1.00 0.00 C ATOM 173 CG ARG A 136 -0.463 6.535 -2.143 1.00 0.00 C ATOM 174 CD ARG A 136 -1.590 7.492 -2.494 1.00 0.00 C ATOM 175 NE ARG A 136 -1.243 8.360 -3.619 1.00 0.00 N ATOM 176 CZ ARG A 136 -0.566 9.499 -3.498 1.00 0.00 C ATOM 177 NH1 ARG A 136 -0.158 9.918 -2.306 1.00 0.00 N ATOM 178 NH2 ARG A 136 -0.294 10.225 -4.575 1.00 0.00 N ATOM 0 H ARG A 136 -0.277 6.046 1.162 1.00 0.00 H new ATOM 0 HA ARG A 136 1.264 5.112 -0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -0.278 7.523 -0.254 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.039 7.845 -1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 136 0.170 6.381 -3.017 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.879 5.564 -1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.486 6.922 -2.739 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.830 8.104 -1.625 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.538 8.075 -4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -0.363 9.365 -1.474 1.00 0.00 H new ATOM 0 HH12 ARG A 136 0.360 10.792 -2.223 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -0.604 9.910 -5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 136 0.225 11.098 -4.484 1.00 0.00 H new ATOM 192 N LYS A 137 2.842 7.088 1.108 1.00 0.00 N ATOM 193 CA LYS A 137 4.146 7.603 1.490 1.00 0.00 C ATOM 194 C LYS A 137 5.051 6.462 1.924 1.00 0.00 C ATOM 195 O LYS A 137 6.245 6.448 1.624 1.00 0.00 O ATOM 196 CB LYS A 137 4.007 8.626 2.620 1.00 0.00 C ATOM 197 CG LYS A 137 5.337 9.188 3.101 1.00 0.00 C ATOM 198 CD LYS A 137 5.512 9.009 4.601 1.00 0.00 C ATOM 199 CE LYS A 137 6.937 8.614 4.952 1.00 0.00 C ATOM 200 NZ LYS A 137 7.201 8.727 6.412 1.00 0.00 N ATOM 0 H LYS A 137 2.116 7.221 1.812 1.00 0.00 H new ATOM 0 HA LYS A 137 4.591 8.098 0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.377 9.448 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.494 8.159 3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 137 6.153 8.691 2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.396 10.247 2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 137 5.254 9.937 5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 137 4.823 8.245 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.120 7.589 4.628 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.635 9.250 4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 8.183 8.449 6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 7.052 9.710 6.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 6.553 8.101 6.931 1.00 0.00 H new ATOM 214 N TYR A 138 4.468 5.507 2.644 1.00 0.00 N ATOM 215 CA TYR A 138 5.218 4.362 3.132 1.00 0.00 C ATOM 216 C TYR A 138 5.692 3.485 1.980 1.00 0.00 C ATOM 217 O TYR A 138 6.866 3.129 1.906 1.00 0.00 O ATOM 218 CB TYR A 138 4.351 3.545 4.082 1.00 0.00 C ATOM 219 CG TYR A 138 5.029 2.288 4.565 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.196 2.347 5.315 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.510 1.041 4.254 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.825 1.195 5.743 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.131 -0.112 4.678 1.00 0.00 C ATOM 224 CZ TYR A 138 6.288 -0.032 5.422 1.00 0.00 C ATOM 225 OH TYR A 138 6.911 -1.185 5.847 1.00 0.00 O ATOM 0 H TYR A 138 3.481 5.507 2.900 1.00 0.00 H new ATOM 0 HA TYR A 138 6.096 4.729 3.663 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.084 4.160 4.941 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.421 3.279 3.579 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.618 3.309 5.567 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.604 0.973 3.670 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.732 1.256 6.326 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.713 -1.076 4.428 1.00 0.00 H new ATOM 0 HH TYR A 138 6.291 -1.709 6.396 1.00 0.00 H new ATOM 235 N ALA A 139 4.786 3.168 1.061 1.00 0.00 N ATOM 236 CA ALA A 139 5.142 2.369 -0.099 1.00 0.00 C ATOM 237 C ALA A 139 6.100 3.167 -0.959 1.00 0.00 C ATOM 238 O ALA A 139 7.129 2.666 -1.403 1.00 0.00 O ATOM 239 CB ALA A 139 3.904 1.983 -0.897 1.00 0.00 C ATOM 0 H ALA A 139 3.807 3.451 1.099 1.00 0.00 H new ATOM 0 HA ALA A 139 5.619 1.446 0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.199 1.386 -1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.231 1.402 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.395 2.885 -1.237 1.00 0.00 H new ATOM 245 N ARG A 140 5.762 4.434 -1.160 1.00 0.00 N ATOM 246 CA ARG A 140 6.598 5.333 -1.939 1.00 0.00 C ATOM 247 C ARG A 140 8.017 5.356 -1.373 1.00 0.00 C ATOM 248 O ARG A 140 8.989 5.525 -2.109 1.00 0.00 O ATOM 249 CB ARG A 140 5.999 6.744 -1.928 1.00 0.00 C ATOM 250 CG ARG A 140 6.857 7.783 -2.633 1.00 0.00 C ATOM 251 CD ARG A 140 6.371 8.031 -4.052 1.00 0.00 C ATOM 252 NE ARG A 140 6.570 9.418 -4.464 1.00 0.00 N ATOM 253 CZ ARG A 140 5.935 9.986 -5.487 1.00 0.00 C ATOM 254 NH1 ARG A 140 5.061 9.290 -6.204 1.00 0.00 N ATOM 255 NH2 ARG A 140 6.175 11.254 -5.794 1.00 0.00 N ATOM 0 H ARG A 140 4.912 4.862 -0.793 1.00 0.00 H new ATOM 0 HA ARG A 140 6.640 4.976 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 140 5.018 6.715 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.845 7.055 -0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.836 8.717 -2.071 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.894 7.447 -2.655 1.00 0.00 H new ATOM 0 HD2 ARG A 140 6.901 7.370 -4.737 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.312 7.780 -4.122 1.00 0.00 H new ATOM 0 HE ARG A 140 7.234 9.985 -3.937 1.00 0.00 H new ATOM 0 HH11 ARG A 140 4.873 8.315 -5.972 1.00 0.00 H new ATOM 0 HH12 ARG A 140 4.578 9.731 -6.987 1.00 0.00 H new ATOM 0 HH21 ARG A 140 6.846 11.793 -5.246 1.00 0.00 H new ATOM 0 HH22 ARG A 140 5.689 11.690 -6.578 1.00 0.00 H new ATOM 269 N GLU A 141 8.121 5.179 -0.057 1.00 0.00 N ATOM 270 CA GLU A 141 9.411 5.170 0.618 1.00 0.00 C ATOM 271 C GLU A 141 10.047 3.790 0.552 1.00 0.00 C ATOM 272 O GLU A 141 11.264 3.659 0.417 1.00 0.00 O ATOM 273 CB GLU A 141 9.240 5.593 2.075 1.00 0.00 C ATOM 274 CG GLU A 141 9.087 7.093 2.262 1.00 0.00 C ATOM 275 CD GLU A 141 10.384 7.767 2.665 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.451 7.336 2.182 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.331 8.726 3.464 1.00 0.00 O ATOM 0 H GLU A 141 7.322 5.040 0.562 1.00 0.00 H new ATOM 0 HA GLU A 141 10.068 5.877 0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.364 5.093 2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.102 5.251 2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.725 7.536 1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.331 7.285 3.023 1.00 0.00 H new ATOM 284 N LYS A 142 9.213 2.763 0.664 1.00 0.00 N ATOM 285 CA LYS A 142 9.679 1.386 0.635 1.00 0.00 C ATOM 286 C LYS A 142 9.835 0.871 -0.797 1.00 0.00 C ATOM 287 O LYS A 142 9.761 -0.334 -1.039 1.00 0.00 O ATOM 288 CB LYS A 142 8.691 0.505 1.401 1.00 0.00 C ATOM 289 CG LYS A 142 8.624 0.786 2.900 1.00 0.00 C ATOM 290 CD LYS A 142 9.986 1.131 3.486 1.00 0.00 C ATOM 291 CE LYS A 142 9.877 1.507 4.955 1.00 0.00 C ATOM 292 NZ LYS A 142 11.146 2.087 5.475 1.00 0.00 N ATOM 0 H LYS A 142 8.204 2.862 0.776 1.00 0.00 H new ATOM 0 HA LYS A 142 10.661 1.347 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.697 0.639 0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.964 -0.540 1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.934 1.610 3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.221 -0.087 3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.658 0.280 3.375 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.425 1.958 2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.068 2.226 5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.616 0.623 5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.031 2.330 6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.913 1.392 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.382 2.945 4.936 1.00 0.00 H new ATOM 306 N GLY A 143 10.051 1.782 -1.746 1.00 0.00 N ATOM 307 CA GLY A 143 10.211 1.381 -3.135 1.00 0.00 C ATOM 308 C GLY A 143 9.055 0.532 -3.632 1.00 0.00 C ATOM 309 O GLY A 143 9.194 -0.227 -4.591 1.00 0.00 O ATOM 0 H GLY A 143 10.118 2.786 -1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.299 2.271 -3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.141 0.823 -3.244 1.00 0.00 H new ATOM 313 N VAL A 144 7.912 0.660 -2.968 1.00 0.00 N ATOM 314 CA VAL A 144 6.717 -0.091 -3.324 1.00 0.00 C ATOM 315 C VAL A 144 5.641 0.829 -3.888 1.00 0.00 C ATOM 316 O VAL A 144 5.475 1.961 -3.435 1.00 0.00 O ATOM 317 CB VAL A 144 6.152 -0.839 -2.097 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.768 -1.407 -2.385 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.107 -1.938 -1.659 1.00 0.00 C ATOM 0 H VAL A 144 7.789 1.285 -2.171 1.00 0.00 H new ATOM 0 HA VAL A 144 7.003 -0.815 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 144 6.052 -0.123 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.397 -1.928 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.087 -0.595 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.828 -2.106 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.694 -2.455 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.244 -2.648 -2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.069 -1.500 -1.395 1.00 0.00 H new ATOM 329 N ASP A 145 4.902 0.325 -4.867 1.00 0.00 N ATOM 330 CA ASP A 145 3.827 1.083 -5.483 1.00 0.00 C ATOM 331 C ASP A 145 2.497 0.397 -5.219 1.00 0.00 C ATOM 332 O ASP A 145 2.359 -0.809 -5.428 1.00 0.00 O ATOM 333 CB ASP A 145 4.062 1.224 -6.989 1.00 0.00 C ATOM 334 CG ASP A 145 3.181 2.289 -7.613 1.00 0.00 C ATOM 335 OD1 ASP A 145 1.970 2.309 -7.312 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.704 3.103 -8.403 1.00 0.00 O ATOM 0 H ASP A 145 5.030 -0.611 -5.252 1.00 0.00 H new ATOM 0 HA ASP A 145 3.806 2.081 -5.046 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.108 1.470 -7.169 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.871 0.267 -7.475 1.00 0.00 H new ATOM 341 N ILE A 146 1.523 1.162 -4.748 1.00 0.00 N ATOM 342 CA ILE A 146 0.205 0.616 -4.448 1.00 0.00 C ATOM 343 C ILE A 146 -0.338 -0.204 -5.618 1.00 0.00 C ATOM 344 O ILE A 146 -1.180 -1.081 -5.430 1.00 0.00 O ATOM 345 CB ILE A 146 -0.806 1.728 -4.100 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.223 2.678 -3.052 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.104 1.121 -3.593 1.00 0.00 C ATOM 348 CD1 ILE A 146 0.090 2.006 -1.731 1.00 0.00 C ATOM 0 H ILE A 146 1.619 2.161 -4.565 1.00 0.00 H new ATOM 0 HA ILE A 146 0.329 -0.033 -3.581 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.014 2.298 -5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.689 3.126 -3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.928 3.491 -2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.808 1.917 -3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.532 0.480 -4.364 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -1.904 0.530 -2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.500 2.740 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.823 1.582 -1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.819 1.212 -1.891 1.00 0.00 H new ATOM 360 N ARG A 147 0.153 0.079 -6.823 1.00 0.00 N ATOM 361 CA ARG A 147 -0.291 -0.644 -8.008 1.00 0.00 C ATOM 362 C ARG A 147 0.102 -2.114 -7.911 1.00 0.00 C ATOM 363 O ARG A 147 -0.649 -2.998 -8.324 1.00 0.00 O ATOM 364 CB ARG A 147 0.288 -0.011 -9.277 1.00 0.00 C ATOM 365 CG ARG A 147 1.737 -0.377 -9.549 1.00 0.00 C ATOM 366 CD ARG A 147 2.313 0.454 -10.683 1.00 0.00 C ATOM 367 NE ARG A 147 3.054 -0.363 -11.641 1.00 0.00 N ATOM 368 CZ ARG A 147 2.488 -1.258 -12.448 1.00 0.00 C ATOM 369 NH1 ARG A 147 1.175 -1.450 -12.420 1.00 0.00 N ATOM 370 NH2 ARG A 147 3.237 -1.962 -13.286 1.00 0.00 N ATOM 0 H ARG A 147 0.853 0.799 -7.002 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.378 -0.581 -8.064 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.318 -0.315 -10.130 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.207 1.073 -9.198 1.00 0.00 H new ATOM 0 HG2 ARG A 147 2.329 -0.224 -8.646 1.00 0.00 H new ATOM 0 HG3 ARG A 147 1.806 -1.436 -9.800 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.505 0.973 -11.198 1.00 0.00 H new ATOM 0 HD3 ARG A 147 2.972 1.219 -10.273 1.00 0.00 H new ATOM 0 HE ARG A 147 4.065 -0.240 -11.695 1.00 0.00 H new ATOM 0 HH11 ARG A 147 0.594 -0.911 -11.778 1.00 0.00 H new ATOM 0 HH12 ARG A 147 0.747 -2.137 -13.040 1.00 0.00 H new ATOM 0 HH21 ARG A 147 4.246 -1.818 -13.312 1.00 0.00 H new ATOM 0 HH22 ARG A 147 2.804 -2.648 -13.904 1.00 0.00 H new ATOM 384 N LEU A 148 1.278 -2.365 -7.348 1.00 0.00 N ATOM 385 CA LEU A 148 1.770 -3.722 -7.175 1.00 0.00 C ATOM 386 C LEU A 148 1.154 -4.364 -5.933 1.00 0.00 C ATOM 387 O LEU A 148 1.370 -5.545 -5.662 1.00 0.00 O ATOM 388 CB LEU A 148 3.296 -3.729 -7.049 1.00 0.00 C ATOM 389 CG LEU A 148 4.027 -2.564 -7.718 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.500 -2.591 -7.357 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.847 -2.617 -9.228 1.00 0.00 C ATOM 0 H LEU A 148 1.909 -1.642 -7.003 1.00 0.00 H new ATOM 0 HA LEU A 148 1.481 -4.298 -8.054 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.554 -3.734 -5.990 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.672 -4.660 -7.473 1.00 0.00 H new ATOM 0 HG LEU A 148 3.597 -1.630 -7.355 1.00 0.00 H new ATOM 0 HD11 LEU A 148 6.008 -1.756 -7.840 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.611 -2.507 -6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.940 -3.529 -7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.374 -1.780 -9.687 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.252 -3.554 -9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.786 -2.554 -9.470 1.00 0.00 H new ATOM 403 N VAL A 149 0.394 -3.576 -5.174 1.00 0.00 N ATOM 404 CA VAL A 149 -0.240 -4.066 -3.957 1.00 0.00 C ATOM 405 C VAL A 149 -1.758 -4.107 -4.100 1.00 0.00 C ATOM 406 O VAL A 149 -2.365 -3.177 -4.630 1.00 0.00 O ATOM 407 CB VAL A 149 0.123 -3.184 -2.745 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.221 -3.891 -1.444 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.598 -2.800 -2.780 1.00 0.00 C ATOM 0 H VAL A 149 0.204 -2.596 -5.383 1.00 0.00 H new ATOM 0 HA VAL A 149 0.133 -5.077 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.467 -2.269 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.043 -3.252 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.290 -4.104 -1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.337 -4.825 -1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.833 -2.178 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.209 -3.702 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.808 -2.245 -3.694 1.00 0.00 H new ATOM 419 N GLN A 150 -2.362 -5.189 -3.619 1.00 0.00 N ATOM 420 CA GLN A 150 -3.811 -5.348 -3.687 1.00 0.00 C ATOM 421 C GLN A 150 -4.467 -4.826 -2.412 1.00 0.00 C ATOM 422 O GLN A 150 -4.482 -5.509 -1.387 1.00 0.00 O ATOM 423 CB GLN A 150 -4.174 -6.820 -3.902 1.00 0.00 C ATOM 424 CG GLN A 150 -5.086 -7.053 -5.096 1.00 0.00 C ATOM 425 CD GLN A 150 -4.744 -8.322 -5.851 1.00 0.00 C ATOM 426 OE1 GLN A 150 -5.569 -9.229 -5.972 1.00 0.00 O ATOM 427 NE2 GLN A 150 -3.521 -8.394 -6.365 1.00 0.00 N ATOM 0 H GLN A 150 -1.872 -5.968 -3.179 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.182 -4.767 -4.531 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.258 -7.396 -4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.660 -7.201 -3.004 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -6.120 -7.105 -4.754 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -5.017 -6.202 -5.773 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -2.869 -7.619 -6.241 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -3.234 -9.224 -6.884 1.00 0.00 H new ATOM 436 N GLY A 151 -5.000 -3.611 -2.480 1.00 0.00 N ATOM 437 CA GLY A 151 -5.639 -3.017 -1.322 1.00 0.00 C ATOM 438 C GLY A 151 -6.862 -3.786 -0.864 1.00 0.00 C ATOM 439 O GLY A 151 -7.774 -4.041 -1.649 1.00 0.00 O ATOM 0 H GLY A 151 -5.001 -3.027 -3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.921 -2.965 -0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.927 -1.993 -1.558 1.00 0.00 H new ATOM 443 N THR A 152 -6.879 -4.155 0.414 1.00 0.00 N ATOM 444 CA THR A 152 -7.998 -4.893 0.987 1.00 0.00 C ATOM 445 C THR A 152 -8.659 -4.092 2.108 1.00 0.00 C ATOM 446 O THR A 152 -9.256 -4.664 3.020 1.00 0.00 O ATOM 447 CB THR A 152 -7.523 -6.247 1.518 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.132 -6.222 1.785 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.787 -7.390 0.563 1.00 0.00 C ATOM 0 H THR A 152 -6.127 -3.954 1.073 1.00 0.00 H new ATOM 0 HA THR A 152 -8.735 -5.059 0.202 1.00 0.00 H new ATOM 0 HB THR A 152 -8.096 -6.417 2.429 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.848 -7.096 2.125 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.426 -8.321 1.001 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.858 -7.468 0.376 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.267 -7.206 -0.377 1.00 0.00 H new ATOM 457 N GLY A 153 -8.535 -2.770 2.043 1.00 0.00 N ATOM 458 CA GLY A 153 -9.113 -1.921 3.070 1.00 0.00 C ATOM 459 C GLY A 153 -10.415 -1.267 2.647 1.00 0.00 C ATOM 460 O GLY A 153 -10.460 -0.538 1.658 1.00 0.00 O ATOM 0 H GLY A 153 -8.046 -2.272 1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.288 -2.515 3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.395 -1.145 3.337 1.00 0.00 H new ATOM 464 N LYS A 154 -11.471 -1.523 3.415 1.00 0.00 N ATOM 465 CA LYS A 154 -12.791 -0.957 3.147 1.00 0.00 C ATOM 466 C LYS A 154 -13.257 -1.240 1.717 1.00 0.00 C ATOM 467 O LYS A 154 -14.015 -2.180 1.481 1.00 0.00 O ATOM 468 CB LYS A 154 -12.787 0.552 3.420 1.00 0.00 C ATOM 469 CG LYS A 154 -13.813 0.982 4.455 1.00 0.00 C ATOM 470 CD LYS A 154 -15.230 0.859 3.917 1.00 0.00 C ATOM 471 CE LYS A 154 -15.441 1.743 2.699 1.00 0.00 C ATOM 472 NZ LYS A 154 -16.875 1.814 2.306 1.00 0.00 N ATOM 0 H LYS A 154 -11.437 -2.126 4.237 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.498 -1.441 3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.794 0.850 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -12.979 1.083 2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -13.708 0.369 5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -13.623 2.014 4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.432 -0.179 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -15.941 1.134 4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -15.073 2.747 2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.855 1.358 1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -16.976 2.426 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -17.220 0.860 2.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -17.432 2.206 3.092 1.00 0.00 H new ATOM 486 N ASN A 155 -12.813 -0.419 0.768 1.00 0.00 N ATOM 487 CA ASN A 155 -13.202 -0.587 -0.628 1.00 0.00 C ATOM 488 C ASN A 155 -12.049 -1.134 -1.462 1.00 0.00 C ATOM 489 O ASN A 155 -11.973 -0.892 -2.666 1.00 0.00 O ATOM 490 CB ASN A 155 -13.682 0.747 -1.206 1.00 0.00 C ATOM 491 CG ASN A 155 -15.118 0.685 -1.688 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.406 0.127 -2.746 1.00 0.00 O ATOM 493 ND2 ASN A 155 -16.029 1.261 -0.911 1.00 0.00 N ATOM 0 H ASN A 155 -12.186 0.367 0.940 1.00 0.00 H new ATOM 0 HA ASN A 155 -14.018 -1.309 -0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.590 1.523 -0.446 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.035 1.034 -2.035 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -17.012 1.251 -1.184 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -15.746 1.713 -0.041 1.00 0.00 H new ATOM 500 N GLY A 156 -11.155 -1.875 -0.817 1.00 0.00 N ATOM 501 CA GLY A 156 -10.024 -2.446 -1.520 1.00 0.00 C ATOM 502 C GLY A 156 -8.803 -1.547 -1.497 1.00 0.00 C ATOM 503 O GLY A 156 -7.958 -1.616 -2.389 1.00 0.00 O ATOM 0 H GLY A 156 -11.194 -2.090 0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.771 -3.407 -1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.306 -2.642 -2.555 1.00 0.00 H new ATOM 507 N ARG A 157 -8.708 -0.702 -0.475 1.00 0.00 N ATOM 508 CA ARG A 157 -7.578 0.212 -0.343 1.00 0.00 C ATOM 509 C ARG A 157 -6.381 -0.497 0.284 1.00 0.00 C ATOM 510 O ARG A 157 -6.541 -1.449 1.047 1.00 0.00 O ATOM 511 CB ARG A 157 -7.973 1.422 0.506 1.00 0.00 C ATOM 512 CG ARG A 157 -6.849 2.428 0.690 1.00 0.00 C ATOM 513 CD ARG A 157 -7.364 3.754 1.228 1.00 0.00 C ATOM 514 NE ARG A 157 -8.348 4.366 0.336 1.00 0.00 N ATOM 515 CZ ARG A 157 -9.664 4.192 0.443 1.00 0.00 C ATOM 516 NH1 ARG A 157 -10.166 3.407 1.390 1.00 0.00 N ATOM 517 NH2 ARG A 157 -10.483 4.799 -0.405 1.00 0.00 N ATOM 0 H ARG A 157 -9.398 -0.631 0.273 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.296 0.553 -1.339 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.823 1.920 0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.304 1.076 1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.105 2.021 1.375 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.348 2.592 -0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.813 3.597 2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.527 4.438 1.367 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.005 4.964 -0.416 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.542 2.932 2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -11.175 3.279 1.465 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.105 5.399 -1.138 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.491 4.666 -0.324 1.00 0.00 H new ATOM 531 N VAL A 158 -5.181 -0.029 -0.045 1.00 0.00 N ATOM 532 CA VAL A 158 -3.959 -0.623 0.484 1.00 0.00 C ATOM 533 C VAL A 158 -3.589 -0.011 1.830 1.00 0.00 C ATOM 534 O VAL A 158 -3.648 1.204 2.015 1.00 0.00 O ATOM 535 CB VAL A 158 -2.781 -0.468 -0.508 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.432 -0.626 0.188 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.909 -1.476 -1.636 1.00 0.00 C ATOM 0 H VAL A 158 -5.029 0.759 -0.675 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.153 -1.686 0.625 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.826 0.540 -0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.630 -0.511 -0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.331 0.135 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.370 -1.615 0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -2.074 -1.357 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.898 -2.485 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.846 -1.311 -2.167 1.00 0.00 H new ATOM 547 N LEU A 159 -3.205 -0.872 2.761 1.00 0.00 N ATOM 548 CA LEU A 159 -2.816 -0.443 4.096 1.00 0.00 C ATOM 549 C LEU A 159 -1.310 -0.563 4.276 1.00 0.00 C ATOM 550 O LEU A 159 -0.639 -1.239 3.498 1.00 0.00 O ATOM 551 CB LEU A 159 -3.532 -1.299 5.142 1.00 0.00 C ATOM 552 CG LEU A 159 -5.057 -1.158 5.168 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.637 -1.829 6.402 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.463 0.309 5.117 1.00 0.00 C ATOM 0 H LEU A 159 -3.154 -1.880 2.614 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.101 0.601 4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.283 -2.345 4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.143 -1.042 6.127 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.459 -1.656 4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.721 -1.717 6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.381 -2.889 6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.225 -1.363 7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.550 0.387 5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.046 0.832 5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.083 0.760 4.200 1.00 0.00 H new ATOM 566 N LYS A 160 -0.773 0.079 5.308 1.00 0.00 N ATOM 567 CA LYS A 160 0.658 0.004 5.565 1.00 0.00 C ATOM 568 C LYS A 160 1.072 -1.451 5.734 1.00 0.00 C ATOM 569 O LYS A 160 2.169 -1.847 5.343 1.00 0.00 O ATOM 570 CB LYS A 160 1.037 0.810 6.809 1.00 0.00 C ATOM 571 CG LYS A 160 2.539 0.975 6.986 1.00 0.00 C ATOM 572 CD LYS A 160 2.961 0.733 8.428 1.00 0.00 C ATOM 573 CE LYS A 160 4.180 1.563 8.799 1.00 0.00 C ATOM 574 NZ LYS A 160 4.051 2.163 10.156 1.00 0.00 N ATOM 0 H LYS A 160 -1.299 0.649 5.971 1.00 0.00 H new ATOM 0 HA LYS A 160 1.186 0.434 4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.575 1.795 6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.626 0.318 7.691 1.00 0.00 H new ATOM 0 HG2 LYS A 160 3.062 0.278 6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.834 1.980 6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.135 0.979 9.096 1.00 0.00 H new ATOM 0 HD3 LYS A 160 3.183 -0.325 8.571 1.00 0.00 H new ATOM 0 HE2 LYS A 160 5.071 0.936 8.762 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.317 2.355 8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 4.902 2.721 10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 3.215 2.781 10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 3.946 1.406 10.862 1.00 0.00 H new ATOM 588 N GLU A 161 0.165 -2.248 6.295 1.00 0.00 N ATOM 589 CA GLU A 161 0.418 -3.667 6.487 1.00 0.00 C ATOM 590 C GLU A 161 0.561 -4.338 5.129 1.00 0.00 C ATOM 591 O GLU A 161 1.380 -5.240 4.950 1.00 0.00 O ATOM 592 CB GLU A 161 -0.720 -4.313 7.280 1.00 0.00 C ATOM 593 CG GLU A 161 -0.866 -3.766 8.691 1.00 0.00 C ATOM 594 CD GLU A 161 0.371 -3.998 9.537 1.00 0.00 C ATOM 595 OE1 GLU A 161 1.413 -3.374 9.249 1.00 0.00 O ATOM 596 OE2 GLU A 161 0.295 -4.804 10.488 1.00 0.00 O ATOM 0 H GLU A 161 -0.748 -1.933 6.622 1.00 0.00 H new ATOM 0 HA GLU A 161 1.340 -3.793 7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.657 -4.163 6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.551 -5.388 7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -1.073 -2.697 8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.724 -4.236 9.172 1.00 0.00 H new ATOM 603 N ASP A 162 -0.233 -3.870 4.168 1.00 0.00 N ATOM 604 CA ASP A 162 -0.184 -4.404 2.814 1.00 0.00 C ATOM 605 C ASP A 162 1.183 -4.126 2.200 1.00 0.00 C ATOM 606 O ASP A 162 1.828 -5.018 1.650 1.00 0.00 O ATOM 607 CB ASP A 162 -1.281 -3.775 1.954 1.00 0.00 C ATOM 608 CG ASP A 162 -2.594 -4.528 2.043 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.584 -5.763 1.857 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.632 -3.880 2.300 1.00 0.00 O ATOM 0 H ASP A 162 -0.915 -3.124 4.304 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.348 -5.481 2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.436 -2.743 2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.952 -3.747 0.915 1.00 0.00 H new ATOM 615 N ILE A 163 1.618 -2.877 2.321 1.00 0.00 N ATOM 616 CA ILE A 163 2.916 -2.452 1.803 1.00 0.00 C ATOM 617 C ILE A 163 4.023 -3.360 2.324 1.00 0.00 C ATOM 618 O ILE A 163 4.790 -3.931 1.550 1.00 0.00 O ATOM 619 CB ILE A 163 3.241 -1.002 2.218 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.083 -0.067 1.874 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.532 -0.529 1.554 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.774 -0.021 0.401 1.00 0.00 C ATOM 0 H ILE A 163 1.087 -2.135 2.777 1.00 0.00 H new ATOM 0 HA ILE A 163 2.861 -2.512 0.716 1.00 0.00 H new ATOM 0 HB ILE A 163 3.384 -0.981 3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.193 -0.387 2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.322 0.939 2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.744 0.496 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.355 -1.176 1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.420 -0.569 0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.942 0.661 0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.651 0.328 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.505 -1.019 0.054 1.00 0.00 H new ATOM 634 N ASP A 164 4.095 -3.488 3.647 1.00 0.00 N ATOM 635 CA ASP A 164 5.103 -4.328 4.281 1.00 0.00 C ATOM 636 C ASP A 164 5.016 -5.758 3.759 1.00 0.00 C ATOM 637 O ASP A 164 6.036 -6.411 3.537 1.00 0.00 O ATOM 638 CB ASP A 164 4.927 -4.314 5.801 1.00 0.00 C ATOM 639 CG ASP A 164 6.234 -4.537 6.536 1.00 0.00 C ATOM 640 OD1 ASP A 164 6.856 -5.600 6.331 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.636 -3.648 7.317 1.00 0.00 O ATOM 0 H ASP A 164 3.466 -3.020 4.299 1.00 0.00 H new ATOM 0 HA ASP A 164 6.086 -3.927 4.035 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.500 -3.358 6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 164 4.215 -5.087 6.089 1.00 0.00 H new ATOM 646 N ALA A 165 3.791 -6.234 3.559 1.00 0.00 N ATOM 647 CA ALA A 165 3.570 -7.582 3.054 1.00 0.00 C ATOM 648 C ALA A 165 4.207 -7.749 1.681 1.00 0.00 C ATOM 649 O ALA A 165 4.758 -8.803 1.361 1.00 0.00 O ATOM 650 CB ALA A 165 2.082 -7.888 2.991 1.00 0.00 C ATOM 0 H ALA A 165 2.937 -5.705 3.739 1.00 0.00 H new ATOM 0 HA ALA A 165 4.039 -8.288 3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.934 -8.899 2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.652 -7.809 3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.592 -7.176 2.327 1.00 0.00 H new ATOM 656 N TRP A 166 4.135 -6.694 0.875 1.00 0.00 N ATOM 657 CA TRP A 166 4.712 -6.713 -0.463 1.00 0.00 C ATOM 658 C TRP A 166 6.213 -6.957 -0.393 1.00 0.00 C ATOM 659 O TRP A 166 6.732 -7.905 -0.981 1.00 0.00 O ATOM 660 CB TRP A 166 4.440 -5.386 -1.170 1.00 0.00 C ATOM 661 CG TRP A 166 4.728 -5.420 -2.640 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.658 -4.679 -3.308 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.080 -6.235 -3.623 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.631 -4.982 -4.647 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.671 -5.935 -4.865 1.00 0.00 C ATOM 666 CE3 TRP A 166 3.062 -7.190 -3.574 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.275 -6.554 -6.046 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.670 -7.805 -4.749 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.275 -7.485 -5.971 1.00 0.00 C ATOM 0 H TRP A 166 3.682 -5.815 1.126 1.00 0.00 H new ATOM 0 HA TRP A 166 4.249 -7.523 -1.026 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.396 -5.111 -1.019 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.045 -4.607 -0.707 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.320 -3.959 -2.850 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.228 -4.566 -5.362 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.590 -7.443 -2.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.740 -6.308 -6.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.884 -8.545 -4.724 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.946 -7.983 -6.871 1.00 0.00 H new ATOM 680 N LEU A 167 6.902 -6.090 0.338 1.00 0.00 N ATOM 681 CA LEU A 167 8.347 -6.195 0.500 1.00 0.00 C ATOM 682 C LEU A 167 8.719 -7.470 1.251 1.00 0.00 C ATOM 683 O LEU A 167 9.766 -8.067 0.999 1.00 0.00 O ATOM 684 CB LEU A 167 8.882 -4.973 1.247 1.00 0.00 C ATOM 685 CG LEU A 167 8.517 -3.626 0.619 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.867 -2.712 1.647 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.748 -2.963 0.016 1.00 0.00 C ATOM 0 H LEU A 167 6.481 -5.302 0.831 1.00 0.00 H new ATOM 0 HA LEU A 167 8.800 -6.236 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.504 -4.996 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.968 -5.048 1.307 1.00 0.00 H new ATOM 0 HG LEU A 167 7.799 -3.807 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.615 -1.760 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.959 -3.180 2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.560 -2.540 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.467 -2.007 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.491 -2.798 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.168 -3.609 -0.755 1.00 0.00 H new ATOM 699 N ALA A 168 7.855 -7.881 2.173 1.00 0.00 N ATOM 700 CA ALA A 168 8.092 -9.084 2.961 1.00 0.00 C ATOM 701 C ALA A 168 7.845 -10.344 2.136 1.00 0.00 C ATOM 702 O ALA A 168 8.400 -11.404 2.425 1.00 0.00 O ATOM 703 CB ALA A 168 7.212 -9.084 4.202 1.00 0.00 C ATOM 0 H ALA A 168 6.984 -7.398 2.393 1.00 0.00 H new ATOM 0 HA ALA A 168 9.138 -9.084 3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.400 -9.988 4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.441 -8.209 4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.164 -9.054 3.905 1.00 0.00 H new ATOM 709 N GLY A 169 7.010 -10.223 1.108 1.00 0.00 N ATOM 710 CA GLY A 169 6.708 -11.361 0.260 1.00 0.00 C ATOM 711 C GLY A 169 7.934 -11.895 -0.453 1.00 0.00 C ATOM 712 O GLY A 169 8.210 -13.093 -0.417 1.00 0.00 O ATOM 0 H GLY A 169 6.538 -9.357 0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 169 6.269 -12.154 0.865 1.00 0.00 H new ATOM 0 HA3 GLY A 169 5.960 -11.072 -0.478 1.00 0.00 H new ATOM 716 N GLY A 170 8.673 -11.001 -1.104 1.00 0.00 N ATOM 717 CA GLY A 170 9.868 -11.407 -1.820 1.00 0.00 C ATOM 718 C GLY A 170 9.667 -11.425 -3.322 1.00 0.00 C ATOM 719 O GLY A 170 10.498 -12.039 -4.025 1.00 0.00 O ATOM 720 OXT GLY A 170 8.678 -10.826 -3.796 1.00 0.00 O ATOM 0 H GLY A 170 8.465 -10.003 -1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 170 10.684 -10.727 -1.574 1.00 0.00 H new ATOM 0 HA3 GLY A 170 10.169 -12.400 -1.485 1.00 0.00 H new TER 724 GLY A 170