USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=8 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 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 160 TYR OH : rot -30:sc= 0 USER MOD Set 2.1: A 112 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 127 GLN : amide:sc= 0 K(o=0,f=0.69) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.0447 K(o=-0.045,f=-1.7!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 97:sc= 0.451 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -0.258 K(o=-0.26,f=-0.89) USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 THR OG1 : rot 48:sc= 1.11 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 35:sc= 0.222 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 105 8.807 10.408 -5.852 1.00 0.00 N ATOM 67 CA PHE A 105 8.104 9.134 -5.946 1.00 0.00 C ATOM 68 C PHE A 105 7.366 8.823 -4.646 1.00 0.00 C ATOM 69 O PHE A 105 6.278 8.246 -4.659 1.00 0.00 O ATOM 70 CB PHE A 105 9.087 8.007 -6.269 1.00 0.00 C ATOM 71 CG PHE A 105 8.515 6.634 -6.058 1.00 0.00 C ATOM 72 CD1 PHE A 105 7.648 6.080 -6.986 1.00 0.00 C ATOM 73 CD2 PHE A 105 8.846 5.897 -4.933 1.00 0.00 C ATOM 74 CE1 PHE A 105 7.120 4.818 -6.794 1.00 0.00 C ATOM 75 CE2 PHE A 105 8.321 4.633 -4.735 1.00 0.00 C ATOM 76 CZ PHE A 105 7.458 4.093 -5.668 1.00 0.00 C ATOM 0 HA PHE A 105 7.372 9.210 -6.750 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.409 8.102 -7.306 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.975 8.121 -5.648 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.382 6.641 -7.870 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.522 6.314 -4.202 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.443 4.399 -7.524 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.585 4.069 -3.852 1.00 0.00 H new ATOM 0 HZ PHE A 105 7.048 3.105 -5.517 1.00 0.00 H new ATOM 86 N LEU A 106 7.966 9.209 -3.526 1.00 0.00 N ATOM 87 CA LEU A 106 7.368 8.972 -2.217 1.00 0.00 C ATOM 88 C LEU A 106 6.141 9.855 -2.011 1.00 0.00 C ATOM 89 O LEU A 106 5.096 9.389 -1.556 1.00 0.00 O ATOM 90 CB LEU A 106 8.392 9.235 -1.111 1.00 0.00 C ATOM 91 CG LEU A 106 9.700 8.450 -1.207 1.00 0.00 C ATOM 92 CD1 LEU A 106 10.732 9.229 -2.008 1.00 0.00 C ATOM 93 CD2 LEU A 106 10.232 8.129 0.182 1.00 0.00 C ATOM 0 H LEU A 106 8.866 9.688 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 106 7.054 7.929 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.629 10.299 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.926 9.010 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 106 9.501 7.511 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.657 8.655 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.352 9.408 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.927 10.183 -1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.164 7.570 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.415 9.056 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.499 7.530 0.723 1.00 0.00 H new ATOM 105 N THR A 107 6.275 11.133 -2.350 1.00 0.00 N ATOM 106 CA THR A 107 5.178 12.082 -2.203 1.00 0.00 C ATOM 107 C THR A 107 3.961 11.643 -3.009 1.00 0.00 C ATOM 108 O THR A 107 2.836 11.660 -2.510 1.00 0.00 O ATOM 109 CB THR A 107 5.594 13.495 -2.651 1.00 0.00 C ATOM 110 OG1 THR A 107 6.834 13.860 -2.035 1.00 0.00 O ATOM 111 CG2 THR A 107 4.524 14.514 -2.290 1.00 0.00 C ATOM 0 H THR A 107 7.133 11.535 -2.728 1.00 0.00 H new ATOM 0 HA THR A 107 4.920 12.106 -1.144 1.00 0.00 H new ATOM 0 HB THR A 107 5.716 13.487 -3.734 1.00 0.00 H new ATOM 0 HG1 THR A 107 7.092 14.759 -2.327 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.840 15.505 -2.616 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.589 14.250 -2.784 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.375 14.518 -1.210 1.00 0.00 H new ATOM 119 N GLU A 108 4.193 11.251 -4.258 1.00 0.00 N ATOM 120 CA GLU A 108 3.114 10.807 -5.132 1.00 0.00 C ATOM 121 C GLU A 108 2.523 9.488 -4.642 1.00 0.00 C ATOM 122 O GLU A 108 1.310 9.285 -4.684 1.00 0.00 O ATOM 123 CB GLU A 108 3.622 10.650 -6.567 1.00 0.00 C ATOM 124 CG GLU A 108 4.595 9.497 -6.744 1.00 0.00 C ATOM 125 CD GLU A 108 4.892 9.203 -8.202 1.00 0.00 C ATOM 126 OE1 GLU A 108 3.964 9.317 -9.030 1.00 0.00 O ATOM 127 OE2 GLU A 108 6.050 8.859 -8.515 1.00 0.00 O ATOM 0 H GLU A 108 5.118 11.232 -4.687 1.00 0.00 H new ATOM 0 HA GLU A 108 2.331 11.565 -5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.770 10.501 -7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.108 11.576 -6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.526 9.730 -6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.184 8.604 -6.274 1.00 0.00 H new ATOM 134 N PHE A 109 3.390 8.595 -4.178 1.00 0.00 N ATOM 135 CA PHE A 109 2.956 7.294 -3.681 1.00 0.00 C ATOM 136 C PHE A 109 2.079 7.451 -2.443 1.00 0.00 C ATOM 137 O PHE A 109 1.021 6.829 -2.336 1.00 0.00 O ATOM 138 CB PHE A 109 4.168 6.419 -3.355 1.00 0.00 C ATOM 139 CG PHE A 109 3.810 5.134 -2.664 1.00 0.00 C ATOM 140 CD1 PHE A 109 2.887 4.265 -3.224 1.00 0.00 C ATOM 141 CD2 PHE A 109 4.398 4.794 -1.456 1.00 0.00 C ATOM 142 CE1 PHE A 109 2.556 3.083 -2.590 1.00 0.00 C ATOM 143 CE2 PHE A 109 4.071 3.613 -0.818 1.00 0.00 C ATOM 144 CZ PHE A 109 3.149 2.755 -1.387 1.00 0.00 C ATOM 0 H PHE A 109 4.398 8.748 -4.136 1.00 0.00 H new ATOM 0 HA PHE A 109 2.368 6.811 -4.462 1.00 0.00 H new ATOM 0 HB2 PHE A 109 4.700 6.190 -4.278 1.00 0.00 H new ATOM 0 HB3 PHE A 109 4.854 6.983 -2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.422 4.514 -4.166 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.120 5.460 -1.008 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.833 2.415 -3.035 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.535 3.361 0.124 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.893 1.830 -0.892 1.00 0.00 H new ATOM 154 N ILE A 110 2.526 8.284 -1.510 1.00 0.00 N ATOM 155 CA ILE A 110 1.782 8.523 -0.279 1.00 0.00 C ATOM 156 C ILE A 110 0.418 9.139 -0.572 1.00 0.00 C ATOM 157 O ILE A 110 -0.595 8.721 -0.013 1.00 0.00 O ATOM 158 CB ILE A 110 2.557 9.449 0.677 1.00 0.00 C ATOM 159 CG1 ILE A 110 3.831 8.759 1.170 1.00 0.00 C ATOM 160 CG2 ILE A 110 1.678 9.853 1.851 1.00 0.00 C ATOM 161 CD1 ILE A 110 4.842 9.713 1.768 1.00 0.00 C ATOM 0 H ILE A 110 3.400 8.805 -1.583 1.00 0.00 H new ATOM 0 HA ILE A 110 1.645 7.554 0.200 1.00 0.00 H new ATOM 0 HB ILE A 110 2.842 10.351 0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.564 8.011 1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.293 8.228 0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.240 10.507 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.798 10.380 1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.366 8.962 2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.719 9.155 2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 110 5.138 10.446 1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.398 10.226 2.621 1.00 0.00 H new ATOM 173 N ASN A 111 0.401 10.133 -1.453 1.00 0.00 N ATOM 174 CA ASN A 111 -0.839 10.807 -1.822 1.00 0.00 C ATOM 175 C ASN A 111 -1.890 9.799 -2.278 1.00 0.00 C ATOM 176 O ASN A 111 -3.065 9.912 -1.931 1.00 0.00 O ATOM 177 CB ASN A 111 -0.579 11.828 -2.931 1.00 0.00 C ATOM 178 CG ASN A 111 0.106 13.079 -2.416 1.00 0.00 C ATOM 179 OD1 ASN A 111 0.106 13.351 -1.215 1.00 0.00 O ATOM 180 ND2 ASN A 111 0.694 13.848 -3.325 1.00 0.00 N ATOM 0 H ASN A 111 1.232 10.490 -1.925 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.217 11.327 -0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.039 11.371 -3.704 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.525 12.101 -3.399 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.171 14.703 -3.038 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.669 13.584 -4.310 1.00 0.00 H new ATOM 187 N TYR A 112 -1.457 8.815 -3.058 1.00 0.00 N ATOM 188 CA TYR A 112 -2.361 7.788 -3.565 1.00 0.00 C ATOM 189 C TYR A 112 -2.903 6.930 -2.426 1.00 0.00 C ATOM 190 O TYR A 112 -4.068 6.530 -2.436 1.00 0.00 O ATOM 191 CB TYR A 112 -1.642 6.905 -4.586 1.00 0.00 C ATOM 192 CG TYR A 112 -2.553 5.921 -5.283 1.00 0.00 C ATOM 193 CD1 TYR A 112 -3.790 6.318 -5.776 1.00 0.00 C ATOM 194 CD2 TYR A 112 -2.177 4.594 -5.450 1.00 0.00 C ATOM 195 CE1 TYR A 112 -4.626 5.421 -6.413 1.00 0.00 C ATOM 196 CE2 TYR A 112 -3.006 3.691 -6.088 1.00 0.00 C ATOM 197 CZ TYR A 112 -4.229 4.109 -6.567 1.00 0.00 C ATOM 198 OH TYR A 112 -5.059 3.214 -7.202 1.00 0.00 O ATOM 0 H TYR A 112 -0.487 8.706 -3.353 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.200 8.286 -4.052 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.168 7.541 -5.334 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.846 6.357 -4.083 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -4.103 7.345 -5.659 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.220 4.262 -5.075 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -5.585 5.745 -6.788 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -2.697 2.663 -6.211 1.00 0.00 H new ATOM 0 HH TYR A 112 -5.604 3.687 -7.866 1.00 0.00 H new ATOM 208 N ILE A 113 -2.051 6.653 -1.445 1.00 0.00 N ATOM 209 CA ILE A 113 -2.444 5.845 -0.298 1.00 0.00 C ATOM 210 C ILE A 113 -3.461 6.579 0.570 1.00 0.00 C ATOM 211 O ILE A 113 -4.406 5.979 1.083 1.00 0.00 O ATOM 212 CB ILE A 113 -1.228 5.465 0.567 1.00 0.00 C ATOM 213 CG1 ILE A 113 -0.182 4.734 -0.278 1.00 0.00 C ATOM 214 CG2 ILE A 113 -1.662 4.603 1.743 1.00 0.00 C ATOM 215 CD1 ILE A 113 1.165 4.613 0.399 1.00 0.00 C ATOM 0 H ILE A 113 -1.084 6.976 -1.422 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.896 4.936 -0.694 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.779 6.379 0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.551 3.736 -0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.058 5.261 -1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.791 4.343 2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -2.374 5.155 2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -2.132 3.692 1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.856 4.084 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.556 5.608 0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.055 4.059 1.331 1.00 0.00 H new ATOM 227 N LYS A 114 -3.262 7.883 0.729 1.00 0.00 N ATOM 228 CA LYS A 114 -4.162 8.702 1.532 1.00 0.00 C ATOM 229 C LYS A 114 -5.581 8.659 0.974 1.00 0.00 C ATOM 230 O LYS A 114 -6.540 8.411 1.705 1.00 0.00 O ATOM 231 CB LYS A 114 -3.665 10.149 1.577 1.00 0.00 C ATOM 232 CG LYS A 114 -2.262 10.293 2.140 1.00 0.00 C ATOM 233 CD LYS A 114 -2.266 10.270 3.660 1.00 0.00 C ATOM 234 CE LYS A 114 -0.958 10.799 4.229 1.00 0.00 C ATOM 235 NZ LYS A 114 -1.133 11.348 5.602 1.00 0.00 N ATOM 0 H LYS A 114 -2.485 8.396 0.312 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.175 8.297 2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.687 10.563 0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.352 10.742 2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -1.634 9.485 1.765 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.823 11.227 1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.095 10.872 4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.430 9.251 4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.220 9.997 4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.565 11.577 3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -0.220 11.698 5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.818 12.130 5.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.484 10.599 6.233 1.00 0.00 H new ATOM 249 N LYS A 115 -5.708 8.899 -0.327 1.00 0.00 N ATOM 250 CA LYS A 115 -7.009 8.885 -0.985 1.00 0.00 C ATOM 251 C LYS A 115 -7.540 7.460 -1.109 1.00 0.00 C ATOM 252 O LYS A 115 -8.723 7.206 -0.881 1.00 0.00 O ATOM 253 CB LYS A 115 -6.910 9.526 -2.371 1.00 0.00 C ATOM 254 CG LYS A 115 -6.550 11.001 -2.334 1.00 0.00 C ATOM 255 CD LYS A 115 -6.489 11.595 -3.732 1.00 0.00 C ATOM 256 CE LYS A 115 -7.862 12.047 -4.205 1.00 0.00 C ATOM 257 NZ LYS A 115 -7.880 12.326 -5.668 1.00 0.00 N ATOM 0 H LYS A 115 -4.925 9.106 -0.947 1.00 0.00 H new ATOM 0 HA LYS A 115 -7.704 9.462 -0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.161 8.992 -2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.863 9.406 -2.887 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.287 11.542 -1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.586 11.129 -1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -5.803 12.442 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.089 10.855 -4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.598 11.277 -3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -8.157 12.944 -3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.833 12.631 -5.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.196 13.078 -5.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.624 11.463 -6.189 1.00 0.00 H new ATOM 271 N SER A 116 -6.658 6.534 -1.470 1.00 0.00 N ATOM 272 CA SER A 116 -7.039 5.135 -1.626 1.00 0.00 C ATOM 273 C SER A 116 -7.345 4.501 -0.273 1.00 0.00 C ATOM 274 O SER A 116 -6.438 4.166 0.489 1.00 0.00 O ATOM 275 CB SER A 116 -5.924 4.356 -2.327 1.00 0.00 C ATOM 276 OG SER A 116 -5.821 4.727 -3.690 1.00 0.00 O ATOM 0 H SER A 116 -5.675 6.727 -1.660 1.00 0.00 H new ATOM 0 HA SER A 116 -7.940 5.096 -2.238 1.00 0.00 H new ATOM 0 HB2 SER A 116 -4.975 4.541 -1.824 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.121 3.287 -2.252 1.00 0.00 H new ATOM 0 HG SER A 116 -5.113 5.397 -3.794 1.00 0.00 H new ATOM 282 N LYS A 117 -8.631 4.338 0.020 1.00 0.00 N ATOM 283 CA LYS A 117 -9.060 3.743 1.280 1.00 0.00 C ATOM 284 C LYS A 117 -8.532 2.319 1.417 1.00 0.00 C ATOM 285 O LYS A 117 -8.189 1.876 2.514 1.00 0.00 O ATOM 286 CB LYS A 117 -10.588 3.743 1.373 1.00 0.00 C ATOM 287 CG LYS A 117 -11.262 2.893 0.310 1.00 0.00 C ATOM 288 CD LYS A 117 -11.381 3.640 -1.008 1.00 0.00 C ATOM 289 CE LYS A 117 -12.585 3.168 -1.809 1.00 0.00 C ATOM 290 NZ LYS A 117 -12.554 3.677 -3.209 1.00 0.00 N ATOM 0 H LYS A 117 -9.395 4.610 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 117 -8.652 4.343 2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -10.884 3.381 2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -10.949 4.768 1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -10.691 1.977 0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -12.254 2.598 0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.467 4.709 -0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.473 3.494 -1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -12.610 2.078 -1.819 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -13.500 3.503 -1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.391 3.334 -3.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -12.556 4.717 -3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -11.693 3.336 -3.683 1.00 0.00 H new ATOM 304 N VAL A 118 -8.466 1.606 0.297 1.00 0.00 N ATOM 305 CA VAL A 118 -7.977 0.233 0.292 1.00 0.00 C ATOM 306 C VAL A 118 -6.881 0.044 -0.751 1.00 0.00 C ATOM 307 O VAL A 118 -7.136 0.112 -1.953 1.00 0.00 O ATOM 308 CB VAL A 118 -9.114 -0.768 0.014 1.00 0.00 C ATOM 309 CG1 VAL A 118 -8.570 -2.186 -0.065 1.00 0.00 C ATOM 310 CG2 VAL A 118 -10.192 -0.659 1.082 1.00 0.00 C ATOM 0 H VAL A 118 -8.745 1.957 -0.619 1.00 0.00 H new ATOM 0 HA VAL A 118 -7.568 0.039 1.284 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.563 -0.524 -0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.388 -2.879 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.838 -2.251 -0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.094 -2.446 0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.988 -1.373 0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -9.760 -0.876 2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.602 0.351 1.083 1.00 0.00 H new ATOM 320 N VAL A 119 -5.660 -0.195 -0.282 1.00 0.00 N ATOM 321 CA VAL A 119 -4.525 -0.396 -1.174 1.00 0.00 C ATOM 322 C VAL A 119 -3.934 -1.791 -1.006 1.00 0.00 C ATOM 323 O VAL A 119 -3.553 -2.187 0.097 1.00 0.00 O ATOM 324 CB VAL A 119 -3.422 0.650 -0.925 1.00 0.00 C ATOM 325 CG1 VAL A 119 -2.239 0.411 -1.850 1.00 0.00 C ATOM 326 CG2 VAL A 119 -3.973 2.057 -1.103 1.00 0.00 C ATOM 0 H VAL A 119 -5.432 -0.254 0.710 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.899 -0.283 -2.191 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.074 0.547 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.471 1.160 -1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.830 -0.583 -1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.567 0.484 -2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.181 2.784 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.349 2.174 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.784 2.222 -0.394 1.00 0.00 H new ATOM 336 N LEU A 120 -3.859 -2.533 -2.106 1.00 0.00 N ATOM 337 CA LEU A 120 -3.313 -3.885 -2.081 1.00 0.00 C ATOM 338 C LEU A 120 -1.861 -3.895 -2.549 1.00 0.00 C ATOM 339 O LEU A 120 -1.489 -3.165 -3.469 1.00 0.00 O ATOM 340 CB LEU A 120 -4.152 -4.811 -2.963 1.00 0.00 C ATOM 341 CG LEU A 120 -4.049 -6.306 -2.657 1.00 0.00 C ATOM 342 CD1 LEU A 120 -4.460 -6.586 -1.220 1.00 0.00 C ATOM 343 CD2 LEU A 120 -4.905 -7.109 -3.625 1.00 0.00 C ATOM 0 H LEU A 120 -4.170 -2.221 -3.026 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.346 -4.245 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -5.197 -4.514 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.861 -4.652 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 120 -3.010 -6.612 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.380 -7.655 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.805 -6.040 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -5.490 -6.264 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.819 -8.170 -3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.946 -6.800 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.564 -6.933 -4.645 1.00 0.00 H new ATOM 355 N LEU A 121 -1.046 -4.729 -1.913 1.00 0.00 N ATOM 356 CA LEU A 121 0.366 -4.836 -2.266 1.00 0.00 C ATOM 357 C LEU A 121 0.535 -5.457 -3.649 1.00 0.00 C ATOM 358 O LEU A 121 1.361 -5.008 -4.443 1.00 0.00 O ATOM 359 CB LEU A 121 1.110 -5.673 -1.224 1.00 0.00 C ATOM 360 CG LEU A 121 0.953 -5.228 0.231 1.00 0.00 C ATOM 361 CD1 LEU A 121 1.521 -6.277 1.174 1.00 0.00 C ATOM 362 CD2 LEU A 121 1.633 -3.885 0.453 1.00 0.00 C ATOM 0 H LEU A 121 -1.338 -5.341 -1.151 1.00 0.00 H new ATOM 0 HA LEU A 121 0.788 -3.831 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 121 0.770 -6.705 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 121 2.171 -5.667 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.110 -5.115 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 121 1.401 -5.943 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 121 0.990 -7.219 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.580 -6.422 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.512 -3.583 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.695 -3.972 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 121 1.180 -3.136 -0.197 1.00 0.00 H new ATOM 374 N GLU A 122 -0.253 -6.490 -3.929 1.00 0.00 N ATOM 375 CA GLU A 122 -0.190 -7.171 -5.217 1.00 0.00 C ATOM 376 C GLU A 122 -0.623 -6.240 -6.346 1.00 0.00 C ATOM 377 O GLU A 122 -0.007 -6.211 -7.412 1.00 0.00 O ATOM 378 CB GLU A 122 -1.075 -8.419 -5.203 1.00 0.00 C ATOM 379 CG GLU A 122 -0.713 -9.409 -4.110 1.00 0.00 C ATOM 380 CD GLU A 122 0.337 -10.410 -4.553 1.00 0.00 C ATOM 381 OE1 GLU A 122 0.208 -10.946 -5.673 1.00 0.00 O ATOM 382 OE2 GLU A 122 1.286 -10.656 -3.780 1.00 0.00 O ATOM 0 H GLU A 122 -0.942 -6.873 -3.282 1.00 0.00 H new ATOM 0 HA GLU A 122 0.844 -7.469 -5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.114 -8.116 -5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.003 -8.916 -6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -0.347 -8.865 -3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -1.610 -9.944 -3.798 1.00 0.00 H new ATOM 389 N ASP A 123 -1.686 -5.480 -6.104 1.00 0.00 N ATOM 390 CA ASP A 123 -2.202 -4.548 -7.100 1.00 0.00 C ATOM 391 C ASP A 123 -1.298 -3.324 -7.218 1.00 0.00 C ATOM 392 O ASP A 123 -1.045 -2.830 -8.317 1.00 0.00 O ATOM 393 CB ASP A 123 -3.622 -4.114 -6.735 1.00 0.00 C ATOM 394 CG ASP A 123 -4.360 -3.502 -7.910 1.00 0.00 C ATOM 395 OD1 ASP A 123 -4.318 -4.093 -9.009 1.00 0.00 O ATOM 396 OD2 ASP A 123 -4.979 -2.432 -7.730 1.00 0.00 O ATOM 0 H ASP A 123 -2.207 -5.491 -5.227 1.00 0.00 H new ATOM 0 HA ASP A 123 -2.222 -5.058 -8.063 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.179 -4.976 -6.369 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.580 -3.392 -5.920 1.00 0.00 H new ATOM 401 N LEU A 124 -0.815 -2.840 -6.079 1.00 0.00 N ATOM 402 CA LEU A 124 0.061 -1.673 -6.054 1.00 0.00 C ATOM 403 C LEU A 124 1.286 -1.893 -6.936 1.00 0.00 C ATOM 404 O LEU A 124 1.711 -0.994 -7.660 1.00 0.00 O ATOM 405 CB LEU A 124 0.498 -1.369 -4.620 1.00 0.00 C ATOM 406 CG LEU A 124 1.371 -0.128 -4.433 1.00 0.00 C ATOM 407 CD1 LEU A 124 0.590 1.131 -4.778 1.00 0.00 C ATOM 408 CD2 LEU A 124 1.899 -0.057 -3.008 1.00 0.00 C ATOM 0 H LEU A 124 -1.015 -3.237 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.497 -0.822 -6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.395 -1.256 -4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 124 1.042 -2.232 -4.236 1.00 0.00 H new ATOM 0 HG LEU A 124 2.222 -0.200 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.227 2.004 -4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.262 1.083 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.280 1.210 -4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 124 2.518 0.833 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.062 -0.009 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.496 -0.944 -2.796 1.00 0.00 H new ATOM 420 N ALA A 125 1.848 -3.096 -6.870 1.00 0.00 N ATOM 421 CA ALA A 125 3.022 -3.435 -7.665 1.00 0.00 C ATOM 422 C ALA A 125 2.725 -3.323 -9.156 1.00 0.00 C ATOM 423 O ALA A 125 3.522 -2.775 -9.918 1.00 0.00 O ATOM 424 CB ALA A 125 3.502 -4.838 -7.324 1.00 0.00 C ATOM 0 H ALA A 125 1.509 -3.852 -6.274 1.00 0.00 H new ATOM 0 HA ALA A 125 3.812 -2.724 -7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 125 4.379 -5.079 -7.925 1.00 0.00 H new ATOM 0 HB2 ALA A 125 3.762 -4.887 -6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.709 -5.555 -7.536 1.00 0.00 H new ATOM 430 N PHE A 126 1.575 -3.847 -9.568 1.00 0.00 N ATOM 431 CA PHE A 126 1.175 -3.807 -10.969 1.00 0.00 C ATOM 432 C PHE A 126 0.829 -2.384 -11.396 1.00 0.00 C ATOM 433 O PHE A 126 1.115 -1.976 -12.521 1.00 0.00 O ATOM 434 CB PHE A 126 -0.024 -4.728 -11.206 1.00 0.00 C ATOM 435 CG PHE A 126 -0.555 -4.673 -12.610 1.00 0.00 C ATOM 436 CD1 PHE A 126 -1.310 -3.593 -13.037 1.00 0.00 C ATOM 437 CD2 PHE A 126 -0.298 -5.701 -13.502 1.00 0.00 C ATOM 438 CE1 PHE A 126 -1.800 -3.541 -14.328 1.00 0.00 C ATOM 439 CE2 PHE A 126 -0.785 -5.654 -14.795 1.00 0.00 C ATOM 440 CZ PHE A 126 -1.536 -4.572 -15.209 1.00 0.00 C ATOM 0 H PHE A 126 0.904 -4.304 -8.951 1.00 0.00 H new ATOM 0 HA PHE A 126 2.015 -4.154 -11.570 1.00 0.00 H new ATOM 0 HB2 PHE A 126 0.265 -5.753 -10.975 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -0.822 -4.458 -10.514 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -1.518 -2.783 -12.354 1.00 0.00 H new ATOM 0 HD2 PHE A 126 0.290 -6.549 -13.184 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -2.389 -2.695 -14.648 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -0.578 -6.463 -15.480 1.00 0.00 H new ATOM 0 HZ PHE A 126 -1.916 -4.532 -16.219 1.00 0.00 H new ATOM 450 N GLN A 127 0.211 -1.634 -10.489 1.00 0.00 N ATOM 451 CA GLN A 127 -0.175 -0.257 -10.771 1.00 0.00 C ATOM 452 C GLN A 127 1.033 0.571 -11.195 1.00 0.00 C ATOM 453 O GLN A 127 0.975 1.316 -12.173 1.00 0.00 O ATOM 454 CB GLN A 127 -0.834 0.373 -9.543 1.00 0.00 C ATOM 455 CG GLN A 127 -2.321 0.078 -9.432 1.00 0.00 C ATOM 456 CD GLN A 127 -3.166 1.021 -10.266 1.00 0.00 C ATOM 457 OE1 GLN A 127 -3.406 0.775 -11.449 1.00 0.00 O ATOM 458 NE2 GLN A 127 -3.623 2.106 -9.654 1.00 0.00 N ATOM 0 H GLN A 127 -0.033 -1.957 -9.553 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.891 -0.269 -11.593 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -0.332 0.011 -8.646 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -0.688 1.453 -9.576 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -2.509 -0.948 -9.748 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -2.625 0.151 -8.388 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -3.400 2.270 -8.672 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -4.198 2.776 -10.165 1.00 0.00 H new ATOM 467 N MET A 128 2.127 0.437 -10.452 1.00 0.00 N ATOM 468 CA MET A 128 3.350 1.172 -10.753 1.00 0.00 C ATOM 469 C MET A 128 4.367 0.275 -11.451 1.00 0.00 C ATOM 470 O MET A 128 5.415 0.739 -11.898 1.00 0.00 O ATOM 471 CB MET A 128 3.954 1.745 -9.469 1.00 0.00 C ATOM 472 CG MET A 128 3.038 2.722 -8.749 1.00 0.00 C ATOM 473 SD MET A 128 3.801 3.435 -7.280 1.00 0.00 S ATOM 474 CE MET A 128 2.802 4.906 -7.060 1.00 0.00 C ATOM 0 H MET A 128 2.191 -0.174 -9.637 1.00 0.00 H new ATOM 0 HA MET A 128 3.095 1.992 -11.425 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.198 0.924 -8.794 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.890 2.248 -9.711 1.00 0.00 H new ATOM 0 HG2 MET A 128 2.758 3.523 -9.433 1.00 0.00 H new ATOM 0 HG3 MET A 128 2.119 2.210 -8.464 1.00 0.00 H new ATOM 0 HE1 MET A 128 3.152 5.456 -6.187 1.00 0.00 H new ATOM 0 HE2 MET A 128 2.885 5.538 -7.944 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.760 4.620 -6.915 1.00 0.00 H new ATOM 484 N GLY A 129 4.050 -1.013 -11.540 1.00 0.00 N ATOM 485 CA GLY A 129 4.947 -1.955 -12.184 1.00 0.00 C ATOM 486 C GLY A 129 5.951 -2.552 -11.219 1.00 0.00 C ATOM 487 O GLY A 129 6.285 -3.735 -11.312 1.00 0.00 O ATOM 0 H GLY A 129 3.188 -1.421 -11.178 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.363 -2.756 -12.638 1.00 0.00 H new ATOM 0 HA3 GLY A 129 5.479 -1.452 -12.991 1.00 0.00 H new ATOM 491 N LEU A 130 6.436 -1.735 -10.291 1.00 0.00 N ATOM 492 CA LEU A 130 7.410 -2.189 -9.305 1.00 0.00 C ATOM 493 C LEU A 130 7.097 -3.609 -8.844 1.00 0.00 C ATOM 494 O LEU A 130 5.944 -4.041 -8.870 1.00 0.00 O ATOM 495 CB LEU A 130 7.428 -1.243 -8.103 1.00 0.00 C ATOM 496 CG LEU A 130 7.960 0.166 -8.366 1.00 0.00 C ATOM 497 CD1 LEU A 130 7.790 1.040 -7.133 1.00 0.00 C ATOM 498 CD2 LEU A 130 9.422 0.114 -8.787 1.00 0.00 C ATOM 0 H LEU A 130 6.171 -0.754 -10.201 1.00 0.00 H new ATOM 0 HA LEU A 130 8.393 -2.188 -9.775 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.412 -1.160 -7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.032 -1.697 -7.318 1.00 0.00 H new ATOM 0 HG LEU A 130 7.383 0.605 -9.180 1.00 0.00 H new ATOM 0 HD11 LEU A 130 8.174 2.039 -7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 130 6.733 1.104 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 130 8.341 0.604 -6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.784 1.126 -8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 130 10.013 -0.345 -7.994 1.00 0.00 H new ATOM 0 HD23 LEU A 130 9.517 -0.476 -9.699 1.00 0.00 H new ATOM 510 N ARG A 131 8.130 -4.330 -8.420 1.00 0.00 N ATOM 511 CA ARG A 131 7.965 -5.700 -7.952 1.00 0.00 C ATOM 512 C ARG A 131 7.124 -5.743 -6.680 1.00 0.00 C ATOM 513 O ARG A 131 7.075 -4.774 -5.921 1.00 0.00 O ATOM 514 CB ARG A 131 9.330 -6.342 -7.695 1.00 0.00 C ATOM 515 CG ARG A 131 9.946 -6.977 -8.931 1.00 0.00 C ATOM 516 CD ARG A 131 9.210 -8.246 -9.332 1.00 0.00 C ATOM 517 NE ARG A 131 9.984 -9.054 -10.271 1.00 0.00 N ATOM 518 CZ ARG A 131 9.509 -10.140 -10.871 1.00 0.00 C ATOM 519 NH1 ARG A 131 8.269 -10.545 -10.631 1.00 0.00 N ATOM 520 NH2 ARG A 131 10.274 -10.822 -11.713 1.00 0.00 N ATOM 0 H ARG A 131 9.090 -3.987 -8.391 1.00 0.00 H new ATOM 0 HA ARG A 131 7.447 -6.262 -8.729 1.00 0.00 H new ATOM 0 HB2 ARG A 131 10.011 -5.584 -7.308 1.00 0.00 H new ATOM 0 HB3 ARG A 131 9.225 -7.102 -6.920 1.00 0.00 H new ATOM 0 HG2 ARG A 131 9.923 -6.266 -9.757 1.00 0.00 H new ATOM 0 HG3 ARG A 131 10.994 -7.208 -8.739 1.00 0.00 H new ATOM 0 HD2 ARG A 131 8.991 -8.835 -8.441 1.00 0.00 H new ATOM 0 HD3 ARG A 131 8.253 -7.983 -9.783 1.00 0.00 H new ATOM 0 HE ARG A 131 10.941 -8.769 -10.477 1.00 0.00 H new ATOM 0 HH11 ARG A 131 7.678 -10.022 -9.985 1.00 0.00 H new ATOM 0 HH12 ARG A 131 7.907 -11.379 -11.093 1.00 0.00 H new ATOM 0 HH21 ARG A 131 11.228 -10.513 -11.900 1.00 0.00 H new ATOM 0 HH22 ARG A 131 9.909 -11.656 -12.173 1.00 0.00 H new ATOM 534 N THR A 132 6.461 -6.873 -6.452 1.00 0.00 N ATOM 535 CA THR A 132 5.620 -7.041 -5.273 1.00 0.00 C ATOM 536 C THR A 132 6.407 -6.777 -3.995 1.00 0.00 C ATOM 537 O THR A 132 5.945 -6.056 -3.110 1.00 0.00 O ATOM 538 CB THR A 132 5.020 -8.459 -5.209 1.00 0.00 C ATOM 539 OG1 THR A 132 4.177 -8.685 -6.344 1.00 0.00 O ATOM 540 CG2 THR A 132 4.220 -8.650 -3.930 1.00 0.00 C ATOM 0 H THR A 132 6.490 -7.685 -7.068 1.00 0.00 H new ATOM 0 HA THR A 132 4.811 -6.315 -5.355 1.00 0.00 H new ATOM 0 HB THR A 132 5.839 -9.178 -5.217 1.00 0.00 H new ATOM 0 HG1 THR A 132 3.801 -9.589 -6.297 1.00 0.00 H new ATOM 0 HG21 THR A 132 3.806 -9.658 -3.907 1.00 0.00 H new ATOM 0 HG22 THR A 132 4.872 -8.505 -3.068 1.00 0.00 H new ATOM 0 HG23 THR A 132 3.408 -7.924 -3.897 1.00 0.00 H new ATOM 548 N GLN A 133 7.596 -7.364 -3.905 1.00 0.00 N ATOM 549 CA GLN A 133 8.446 -7.190 -2.733 1.00 0.00 C ATOM 550 C GLN A 133 8.976 -5.763 -2.651 1.00 0.00 C ATOM 551 O GLN A 133 8.995 -5.157 -1.580 1.00 0.00 O ATOM 552 CB GLN A 133 9.612 -8.179 -2.772 1.00 0.00 C ATOM 553 CG GLN A 133 10.535 -8.079 -1.568 1.00 0.00 C ATOM 554 CD GLN A 133 10.046 -8.896 -0.388 1.00 0.00 C ATOM 555 OE1 GLN A 133 10.044 -10.126 -0.428 1.00 0.00 O ATOM 556 NE2 GLN A 133 9.627 -8.214 0.671 1.00 0.00 N ATOM 0 H GLN A 133 7.992 -7.964 -4.629 1.00 0.00 H new ATOM 0 HA GLN A 133 7.843 -7.385 -1.846 1.00 0.00 H new ATOM 0 HB2 GLN A 133 9.216 -9.193 -2.833 1.00 0.00 H new ATOM 0 HB3 GLN A 133 10.192 -8.009 -3.679 1.00 0.00 H new ATOM 0 HG2 GLN A 133 11.532 -8.417 -1.850 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.625 -7.034 -1.270 1.00 0.00 H new ATOM 0 HE21 GLN A 133 9.646 -7.194 0.661 1.00 0.00 H new ATOM 0 HE22 GLN A 133 9.286 -8.710 1.495 1.00 0.00 H new ATOM 565 N ASP A 134 9.406 -5.231 -3.790 1.00 0.00 N ATOM 566 CA ASP A 134 9.937 -3.874 -3.848 1.00 0.00 C ATOM 567 C ASP A 134 8.897 -2.863 -3.373 1.00 0.00 C ATOM 568 O ASP A 134 9.193 -1.991 -2.557 1.00 0.00 O ATOM 569 CB ASP A 134 10.379 -3.537 -5.273 1.00 0.00 C ATOM 570 CG ASP A 134 10.748 -2.075 -5.434 1.00 0.00 C ATOM 571 OD1 ASP A 134 11.757 -1.648 -4.835 1.00 0.00 O ATOM 572 OD2 ASP A 134 10.028 -1.358 -6.160 1.00 0.00 O ATOM 0 H ASP A 134 9.397 -5.719 -4.686 1.00 0.00 H new ATOM 0 HA ASP A 134 10.801 -3.819 -3.185 1.00 0.00 H new ATOM 0 HB2 ASP A 134 11.235 -4.156 -5.541 1.00 0.00 H new ATOM 0 HB3 ASP A 134 9.576 -3.785 -5.968 1.00 0.00 H new ATOM 577 N ALA A 135 7.679 -2.987 -3.890 1.00 0.00 N ATOM 578 CA ALA A 135 6.596 -2.086 -3.517 1.00 0.00 C ATOM 579 C ALA A 135 6.284 -2.188 -2.028 1.00 0.00 C ATOM 580 O ALA A 135 6.129 -1.174 -1.346 1.00 0.00 O ATOM 581 CB ALA A 135 5.352 -2.387 -4.341 1.00 0.00 C ATOM 0 H ALA A 135 7.418 -3.703 -4.568 1.00 0.00 H new ATOM 0 HA ALA A 135 6.918 -1.066 -3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 135 4.551 -1.707 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 135 5.576 -2.255 -5.400 1.00 0.00 H new ATOM 0 HB3 ALA A 135 5.037 -3.415 -4.162 1.00 0.00 H new ATOM 587 N ILE A 136 6.193 -3.416 -1.531 1.00 0.00 N ATOM 588 CA ILE A 136 5.900 -3.650 -0.122 1.00 0.00 C ATOM 589 C ILE A 136 6.976 -3.042 0.771 1.00 0.00 C ATOM 590 O ILE A 136 6.675 -2.439 1.800 1.00 0.00 O ATOM 591 CB ILE A 136 5.781 -5.154 0.187 1.00 0.00 C ATOM 592 CG1 ILE A 136 4.578 -5.753 -0.545 1.00 0.00 C ATOM 593 CG2 ILE A 136 5.661 -5.379 1.687 1.00 0.00 C ATOM 594 CD1 ILE A 136 4.614 -7.263 -0.630 1.00 0.00 C ATOM 0 H ILE A 136 6.318 -4.265 -2.083 1.00 0.00 H new ATOM 0 HA ILE A 136 4.944 -3.169 0.086 1.00 0.00 H new ATOM 0 HB ILE A 136 6.683 -5.655 -0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 136 3.664 -5.447 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 136 4.534 -5.341 -1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 136 5.578 -6.447 1.889 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.545 -4.983 2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 136 4.774 -4.869 2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.731 -7.619 -1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 136 5.510 -7.576 -1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 136 4.626 -7.684 0.375 1.00 0.00 H new ATOM 606 N ASN A 137 8.232 -3.205 0.369 1.00 0.00 N ATOM 607 CA ASN A 137 9.355 -2.671 1.132 1.00 0.00 C ATOM 608 C ASN A 137 9.201 -1.169 1.347 1.00 0.00 C ATOM 609 O ASN A 137 9.604 -0.635 2.381 1.00 0.00 O ATOM 610 CB ASN A 137 10.673 -2.963 0.412 1.00 0.00 C ATOM 611 CG ASN A 137 11.270 -4.297 0.817 1.00 0.00 C ATOM 612 OD1 ASN A 137 11.229 -4.679 1.986 1.00 0.00 O ATOM 613 ND2 ASN A 137 11.830 -5.012 -0.152 1.00 0.00 N ATOM 0 H ASN A 137 8.498 -3.703 -0.481 1.00 0.00 H new ATOM 0 HA ASN A 137 9.366 -3.160 2.106 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.505 -2.955 -0.665 1.00 0.00 H new ATOM 0 HB3 ASN A 137 11.386 -2.168 0.629 1.00 0.00 H new ATOM 0 HD21 ASN A 137 12.249 -5.918 0.059 1.00 0.00 H new ATOM 0 HD22 ASN A 137 11.841 -4.656 -1.108 1.00 0.00 H new ATOM 620 N ARG A 138 8.615 -0.493 0.365 1.00 0.00 N ATOM 621 CA ARG A 138 8.408 0.948 0.446 1.00 0.00 C ATOM 622 C ARG A 138 7.464 1.298 1.592 1.00 0.00 C ATOM 623 O ARG A 138 7.745 2.195 2.389 1.00 0.00 O ATOM 624 CB ARG A 138 7.844 1.479 -0.874 1.00 0.00 C ATOM 625 CG ARG A 138 8.754 1.237 -2.067 1.00 0.00 C ATOM 626 CD ARG A 138 9.812 2.323 -2.190 1.00 0.00 C ATOM 627 NE ARG A 138 10.450 2.319 -3.503 1.00 0.00 N ATOM 628 CZ ARG A 138 11.337 1.407 -3.887 1.00 0.00 C ATOM 629 NH1 ARG A 138 11.688 0.431 -3.061 1.00 0.00 N ATOM 630 NH2 ARG A 138 11.874 1.470 -5.098 1.00 0.00 N ATOM 0 H ARG A 138 8.275 -0.920 -0.497 1.00 0.00 H new ATOM 0 HA ARG A 138 9.373 1.418 0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 138 6.879 1.008 -1.062 1.00 0.00 H new ATOM 0 HB3 ARG A 138 7.663 2.549 -0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 138 9.238 0.266 -1.966 1.00 0.00 H new ATOM 0 HG3 ARG A 138 8.158 1.203 -2.979 1.00 0.00 H new ATOM 0 HD2 ARG A 138 9.355 3.296 -2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 138 10.569 2.181 -1.419 1.00 0.00 H new ATOM 0 HE ARG A 138 10.201 3.057 -4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 138 11.277 0.379 -2.129 1.00 0.00 H new ATOM 0 HH12 ARG A 138 12.369 -0.268 -3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 138 11.606 2.219 -5.736 1.00 0.00 H new ATOM 0 HH22 ARG A 138 12.555 0.769 -5.391 1.00 0.00 H new ATOM 644 N ILE A 139 6.345 0.586 1.669 1.00 0.00 N ATOM 645 CA ILE A 139 5.361 0.822 2.718 1.00 0.00 C ATOM 646 C ILE A 139 5.911 0.431 4.086 1.00 0.00 C ATOM 647 O ILE A 139 5.717 1.144 5.070 1.00 0.00 O ATOM 648 CB ILE A 139 4.061 0.038 2.457 1.00 0.00 C ATOM 649 CG1 ILE A 139 3.446 0.458 1.120 1.00 0.00 C ATOM 650 CG2 ILE A 139 3.073 0.257 3.593 1.00 0.00 C ATOM 651 CD1 ILE A 139 3.973 -0.328 -0.061 1.00 0.00 C ATOM 0 H ILE A 139 6.097 -0.159 1.018 1.00 0.00 H new ATOM 0 HA ILE A 139 5.140 1.889 2.709 1.00 0.00 H new ATOM 0 HB ILE A 139 4.299 -1.025 2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 139 2.364 0.337 1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 139 3.641 1.518 0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 139 2.160 -0.303 3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 139 3.513 -0.087 4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 139 2.838 1.318 3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 139 3.494 0.023 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 139 5.051 -0.187 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 139 3.755 -1.387 0.080 1.00 0.00 H new ATOM 663 N GLN A 140 6.599 -0.705 4.138 1.00 0.00 N ATOM 664 CA GLN A 140 7.178 -1.190 5.385 1.00 0.00 C ATOM 665 C GLN A 140 8.101 -0.143 6.000 1.00 0.00 C ATOM 666 O GLN A 140 8.103 0.061 7.214 1.00 0.00 O ATOM 667 CB GLN A 140 7.950 -2.488 5.143 1.00 0.00 C ATOM 668 CG GLN A 140 7.064 -3.657 4.743 1.00 0.00 C ATOM 669 CD GLN A 140 6.520 -4.413 5.938 1.00 0.00 C ATOM 670 OE1 GLN A 140 5.491 -4.044 6.505 1.00 0.00 O ATOM 671 NE2 GLN A 140 7.210 -5.479 6.329 1.00 0.00 N ATOM 0 H GLN A 140 6.769 -1.306 3.332 1.00 0.00 H new ATOM 0 HA GLN A 140 6.363 -1.385 6.083 1.00 0.00 H new ATOM 0 HB2 GLN A 140 8.691 -2.320 4.361 1.00 0.00 H new ATOM 0 HB3 GLN A 140 8.496 -2.750 6.049 1.00 0.00 H new ATOM 0 HG2 GLN A 140 6.233 -3.289 4.142 1.00 0.00 H new ATOM 0 HG3 GLN A 140 7.634 -4.341 4.114 1.00 0.00 H new ATOM 0 HE21 GLN A 140 8.058 -5.749 5.830 1.00 0.00 H new ATOM 0 HE22 GLN A 140 6.892 -6.027 7.128 1.00 0.00 H new ATOM 680 N ASP A 141 8.884 0.518 5.154 1.00 0.00 N ATOM 681 CA ASP A 141 9.812 1.545 5.614 1.00 0.00 C ATOM 682 C ASP A 141 9.058 2.772 6.117 1.00 0.00 C ATOM 683 O ASP A 141 9.422 3.364 7.134 1.00 0.00 O ATOM 684 CB ASP A 141 10.765 1.943 4.486 1.00 0.00 C ATOM 685 CG ASP A 141 12.083 2.483 5.005 1.00 0.00 C ATOM 686 OD1 ASP A 141 12.428 2.186 6.168 1.00 0.00 O ATOM 687 OD2 ASP A 141 12.768 3.204 4.250 1.00 0.00 O ATOM 0 H ASP A 141 8.895 0.361 4.146 1.00 0.00 H new ATOM 0 HA ASP A 141 10.392 1.133 6.440 1.00 0.00 H new ATOM 0 HB2 ASP A 141 10.955 1.077 3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 141 10.288 2.697 3.860 1.00 0.00 H new ATOM 692 N LEU A 142 8.007 3.150 5.398 1.00 0.00 N ATOM 693 CA LEU A 142 7.202 4.308 5.770 1.00 0.00 C ATOM 694 C LEU A 142 6.487 4.071 7.097 1.00 0.00 C ATOM 695 O LEU A 142 6.493 4.929 7.980 1.00 0.00 O ATOM 696 CB LEU A 142 6.179 4.617 4.675 1.00 0.00 C ATOM 697 CG LEU A 142 6.753 4.986 3.307 1.00 0.00 C ATOM 698 CD1 LEU A 142 5.695 4.830 2.225 1.00 0.00 C ATOM 699 CD2 LEU A 142 7.296 6.408 3.322 1.00 0.00 C ATOM 0 H LEU A 142 7.692 2.671 4.554 1.00 0.00 H new ATOM 0 HA LEU A 142 7.870 5.161 5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 142 5.533 3.748 4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 142 5.548 5.438 5.016 1.00 0.00 H new ATOM 0 HG LEU A 142 7.575 4.306 3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 142 6.121 5.097 1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 142 5.353 3.796 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 142 4.852 5.486 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 142 7.701 6.653 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 142 6.492 7.102 3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 142 8.085 6.488 4.070 1.00 0.00 H new ATOM 711 N LEU A 143 5.874 2.900 7.231 1.00 0.00 N ATOM 712 CA LEU A 143 5.157 2.548 8.451 1.00 0.00 C ATOM 713 C LEU A 143 6.113 2.445 9.635 1.00 0.00 C ATOM 714 O LEU A 143 5.762 2.792 10.763 1.00 0.00 O ATOM 715 CB LEU A 143 4.414 1.223 8.265 1.00 0.00 C ATOM 716 CG LEU A 143 3.212 1.255 7.320 1.00 0.00 C ATOM 717 CD1 LEU A 143 2.467 -0.070 7.359 1.00 0.00 C ATOM 718 CD2 LEU A 143 2.281 2.404 7.679 1.00 0.00 C ATOM 0 H LEU A 143 5.859 2.179 6.510 1.00 0.00 H new ATOM 0 HA LEU A 143 4.435 3.338 8.659 1.00 0.00 H new ATOM 0 HB2 LEU A 143 5.122 0.481 7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 143 4.074 0.880 9.242 1.00 0.00 H new ATOM 0 HG LEU A 143 3.576 1.413 6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 143 1.615 -0.028 6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 143 3.137 -0.873 7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 143 2.114 -0.259 8.373 1.00 0.00 H new ATOM 0 HD21 LEU A 143 1.432 2.411 6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 143 1.924 2.277 8.701 1.00 0.00 H new ATOM 0 HD23 LEU A 143 2.820 3.348 7.598 1.00 0.00 H new ATOM 730 N THR A 144 7.325 1.969 9.370 1.00 0.00 N ATOM 731 CA THR A 144 8.333 1.822 10.413 1.00 0.00 C ATOM 732 C THR A 144 8.798 3.181 10.924 1.00 0.00 C ATOM 733 O THR A 144 9.017 3.361 12.121 1.00 0.00 O ATOM 734 CB THR A 144 9.554 1.031 9.906 1.00 0.00 C ATOM 735 OG1 THR A 144 9.146 -0.266 9.456 1.00 0.00 O ATOM 736 CG2 THR A 144 10.599 0.888 11.003 1.00 0.00 C ATOM 0 H THR A 144 7.633 1.679 8.442 1.00 0.00 H new ATOM 0 HA THR A 144 7.866 1.271 11.229 1.00 0.00 H new ATOM 0 HB THR A 144 9.996 1.580 9.075 1.00 0.00 H new ATOM 0 HG1 THR A 144 8.368 -0.178 8.867 1.00 0.00 H new ATOM 0 HG21 THR A 144 11.452 0.326 10.622 1.00 0.00 H new ATOM 0 HG22 THR A 144 10.929 1.877 11.322 1.00 0.00 H new ATOM 0 HG23 THR A 144 10.166 0.359 11.852 1.00 0.00 H new ATOM 744 N GLU A 145 8.946 4.133 10.008 1.00 0.00 N ATOM 745 CA GLU A 145 9.386 5.476 10.368 1.00 0.00 C ATOM 746 C GLU A 145 8.256 6.258 11.032 1.00 0.00 C ATOM 747 O GLU A 145 8.496 7.243 11.730 1.00 0.00 O ATOM 748 CB GLU A 145 9.879 6.225 9.128 1.00 0.00 C ATOM 749 CG GLU A 145 11.005 5.515 8.396 1.00 0.00 C ATOM 750 CD GLU A 145 12.368 5.820 8.986 1.00 0.00 C ATOM 751 OE1 GLU A 145 12.458 5.984 10.220 1.00 0.00 O ATOM 752 OE2 GLU A 145 13.345 5.895 8.212 1.00 0.00 O ATOM 0 H GLU A 145 8.768 3.999 9.013 1.00 0.00 H new ATOM 0 HA GLU A 145 10.208 5.384 11.078 1.00 0.00 H new ATOM 0 HB2 GLU A 145 9.043 6.366 8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 145 10.219 7.217 9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 145 10.832 4.439 8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 145 10.993 5.809 7.347 1.00 0.00 H new ATOM 759 N GLY A 146 7.024 5.812 10.809 1.00 0.00 N ATOM 760 CA GLY A 146 5.876 6.481 11.392 1.00 0.00 C ATOM 761 C GLY A 146 5.086 7.274 10.370 1.00 0.00 C ATOM 762 O GLY A 146 3.877 7.458 10.513 1.00 0.00 O ATOM 0 H GLY A 146 6.800 4.999 10.235 1.00 0.00 H new ATOM 0 HA2 GLY A 146 5.224 5.740 11.855 1.00 0.00 H new ATOM 0 HA3 GLY A 146 6.213 7.149 12.185 1.00 0.00 H new ATOM 766 N THR A 147 5.771 7.748 9.333 1.00 0.00 N ATOM 767 CA THR A 147 5.127 8.528 8.284 1.00 0.00 C ATOM 768 C THR A 147 3.718 8.018 8.006 1.00 0.00 C ATOM 769 O THR A 147 2.805 8.801 7.736 1.00 0.00 O ATOM 770 CB THR A 147 5.941 8.492 6.977 1.00 0.00 C ATOM 771 OG1 THR A 147 7.248 9.033 7.199 1.00 0.00 O ATOM 772 CG2 THR A 147 5.240 9.279 5.881 1.00 0.00 C ATOM 0 H THR A 147 6.772 7.605 9.198 1.00 0.00 H new ATOM 0 HA THR A 147 5.074 9.556 8.642 1.00 0.00 H new ATOM 0 HB THR A 147 6.028 7.454 6.657 1.00 0.00 H new ATOM 0 HG1 THR A 147 7.760 9.005 6.364 1.00 0.00 H new ATOM 0 HG21 THR A 147 5.834 9.239 4.968 1.00 0.00 H new ATOM 0 HG22 THR A 147 4.257 8.846 5.694 1.00 0.00 H new ATOM 0 HG23 THR A 147 5.126 10.317 6.194 1.00 0.00 H new ATOM 780 N LEU A 148 3.545 6.703 8.075 1.00 0.00 N ATOM 781 CA LEU A 148 2.245 6.088 7.831 1.00 0.00 C ATOM 782 C LEU A 148 1.919 5.058 8.908 1.00 0.00 C ATOM 783 O LEU A 148 2.816 4.514 9.554 1.00 0.00 O ATOM 784 CB LEU A 148 2.223 5.425 6.452 1.00 0.00 C ATOM 785 CG LEU A 148 2.021 6.362 5.261 1.00 0.00 C ATOM 786 CD1 LEU A 148 2.350 5.648 3.959 1.00 0.00 C ATOM 787 CD2 LEU A 148 0.596 6.894 5.235 1.00 0.00 C ATOM 0 H LEU A 148 4.289 6.042 8.298 1.00 0.00 H new ATOM 0 HA LEU A 148 1.488 6.872 7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.163 4.890 6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 148 1.428 4.680 6.442 1.00 0.00 H new ATOM 0 HG LEU A 148 2.700 7.208 5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 148 2.201 6.330 3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 148 3.389 5.318 3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 148 1.697 4.783 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 148 0.471 7.559 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -0.102 6.061 5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 148 0.396 7.444 6.155 1.00 0.00 H new ATOM 799 N THR A 149 0.630 4.793 9.095 1.00 0.00 N ATOM 800 CA THR A 149 0.186 3.827 10.092 1.00 0.00 C ATOM 801 C THR A 149 -0.845 2.868 9.508 1.00 0.00 C ATOM 802 O THR A 149 -1.884 3.290 9.004 1.00 0.00 O ATOM 803 CB THR A 149 -0.422 4.529 11.322 1.00 0.00 C ATOM 804 OG1 THR A 149 -1.452 5.434 10.909 1.00 0.00 O ATOM 805 CG2 THR A 149 0.646 5.287 12.095 1.00 0.00 C ATOM 0 H THR A 149 -0.125 5.234 8.569 1.00 0.00 H new ATOM 0 HA THR A 149 1.067 3.265 10.401 1.00 0.00 H new ATOM 0 HB THR A 149 -0.848 3.767 11.975 1.00 0.00 H new ATOM 0 HG1 THR A 149 -1.920 5.064 10.132 1.00 0.00 H new ATOM 0 HG21 THR A 149 0.193 5.774 12.959 1.00 0.00 H new ATOM 0 HG22 THR A 149 1.414 4.591 12.432 1.00 0.00 H new ATOM 0 HG23 THR A 149 1.097 6.040 11.449 1.00 0.00 H new ATOM 813 N GLY A 150 -0.550 1.573 9.580 1.00 0.00 N ATOM 814 CA GLY A 150 -1.461 0.574 9.055 1.00 0.00 C ATOM 815 C GLY A 150 -1.174 -0.813 9.594 1.00 0.00 C ATOM 816 O GLY A 150 -0.196 -1.018 10.313 1.00 0.00 O ATOM 0 H GLY A 150 0.304 1.199 9.993 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -2.485 0.853 9.305 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.391 0.559 7.967 1.00 0.00 H new ATOM 820 N VAL A 151 -2.029 -1.770 9.247 1.00 0.00 N ATOM 821 CA VAL A 151 -1.863 -3.145 9.701 1.00 0.00 C ATOM 822 C VAL A 151 -1.950 -4.123 8.535 1.00 0.00 C ATOM 823 O VAL A 151 -2.581 -3.837 7.517 1.00 0.00 O ATOM 824 CB VAL A 151 -2.924 -3.522 10.752 1.00 0.00 C ATOM 825 CG1 VAL A 151 -2.724 -2.715 12.026 1.00 0.00 C ATOM 826 CG2 VAL A 151 -4.324 -3.313 10.194 1.00 0.00 C ATOM 0 H VAL A 151 -2.844 -1.618 8.653 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.874 -3.211 10.154 1.00 0.00 H new ATOM 0 HB VAL A 151 -2.809 -4.578 10.997 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -3.483 -2.995 12.757 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -1.734 -2.919 12.434 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -2.812 -1.652 11.801 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -5.061 -3.584 10.950 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -4.454 -2.266 9.920 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -4.461 -3.939 9.312 1.00 0.00 H new ATOM 836 N ILE A 152 -1.312 -5.278 8.690 1.00 0.00 N ATOM 837 CA ILE A 152 -1.318 -6.300 7.650 1.00 0.00 C ATOM 838 C ILE A 152 -1.849 -7.625 8.185 1.00 0.00 C ATOM 839 O ILE A 152 -1.470 -8.066 9.270 1.00 0.00 O ATOM 840 CB ILE A 152 0.091 -6.521 7.069 1.00 0.00 C ATOM 841 CG1 ILE A 152 0.631 -5.219 6.475 1.00 0.00 C ATOM 842 CG2 ILE A 152 0.064 -7.619 6.017 1.00 0.00 C ATOM 843 CD1 ILE A 152 2.101 -5.280 6.121 1.00 0.00 C ATOM 0 H ILE A 152 -0.784 -5.530 9.526 1.00 0.00 H new ATOM 0 HA ILE A 152 -1.976 -5.941 6.858 1.00 0.00 H new ATOM 0 HB ILE A 152 0.755 -6.834 7.875 1.00 0.00 H new ATOM 0 HG12 ILE A 152 0.060 -4.973 5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 152 0.470 -4.410 7.188 1.00 0.00 H new ATOM 0 HG21 ILE A 152 1.067 -7.763 5.616 1.00 0.00 H new ATOM 0 HG22 ILE A 152 -0.283 -8.548 6.469 1.00 0.00 H new ATOM 0 HG23 ILE A 152 -0.612 -7.334 5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 152 2.415 -4.323 5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 152 2.683 -5.495 7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 152 2.266 -6.067 5.385 1.00 0.00 H new ATOM 855 N ASP A 153 -2.728 -8.258 7.415 1.00 0.00 N ATOM 856 CA ASP A 153 -3.309 -9.536 7.809 1.00 0.00 C ATOM 857 C ASP A 153 -2.599 -10.694 7.115 1.00 0.00 C ATOM 858 O ASP A 153 -1.745 -10.484 6.253 1.00 0.00 O ATOM 859 CB ASP A 153 -4.802 -9.565 7.478 1.00 0.00 C ATOM 860 CG ASP A 153 -5.520 -10.724 8.141 1.00 0.00 C ATOM 861 OD1 ASP A 153 -5.700 -10.682 9.377 1.00 0.00 O ATOM 862 OD2 ASP A 153 -5.902 -11.673 7.425 1.00 0.00 O ATOM 0 H ASP A 153 -3.054 -7.907 6.514 1.00 0.00 H new ATOM 0 HA ASP A 153 -3.181 -9.648 8.886 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.260 -8.628 7.796 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -4.930 -9.632 6.398 1.00 0.00 H new ATOM 867 N ASP A 154 -2.955 -11.915 7.498 1.00 0.00 N ATOM 868 CA ASP A 154 -2.352 -13.106 6.913 1.00 0.00 C ATOM 869 C ASP A 154 -2.522 -13.113 5.397 1.00 0.00 C ATOM 870 O ASP A 154 -1.863 -13.878 4.692 1.00 0.00 O ATOM 871 CB ASP A 154 -2.975 -14.367 7.513 1.00 0.00 C ATOM 872 CG ASP A 154 -2.925 -14.373 9.029 1.00 0.00 C ATOM 873 OD1 ASP A 154 -1.898 -14.813 9.587 1.00 0.00 O ATOM 874 OD2 ASP A 154 -3.912 -13.936 9.656 1.00 0.00 O ATOM 0 H ASP A 154 -3.659 -12.106 8.211 1.00 0.00 H new ATOM 0 HA ASP A 154 -1.286 -13.092 7.142 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -4.012 -14.447 7.186 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -2.452 -15.244 7.132 1.00 0.00 H new ATOM 879 N ARG A 155 -3.410 -12.256 4.902 1.00 0.00 N ATOM 880 CA ARG A 155 -3.668 -12.165 3.470 1.00 0.00 C ATOM 881 C ARG A 155 -2.825 -11.063 2.835 1.00 0.00 C ATOM 882 O ARG A 155 -3.177 -10.525 1.786 1.00 0.00 O ATOM 883 CB ARG A 155 -5.152 -11.899 3.214 1.00 0.00 C ATOM 884 CG ARG A 155 -6.000 -13.159 3.182 1.00 0.00 C ATOM 885 CD ARG A 155 -5.807 -13.928 1.884 1.00 0.00 C ATOM 886 NE ARG A 155 -6.281 -13.176 0.726 1.00 0.00 N ATOM 887 CZ ARG A 155 -6.580 -13.734 -0.442 1.00 0.00 C ATOM 888 NH1 ARG A 155 -6.454 -15.044 -0.605 1.00 0.00 N ATOM 889 NH2 ARG A 155 -7.006 -12.983 -1.449 1.00 0.00 N ATOM 0 H ARG A 155 -3.962 -11.615 5.472 1.00 0.00 H new ATOM 0 HA ARG A 155 -3.393 -13.117 3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -5.532 -11.235 3.990 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -5.260 -11.374 2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -5.738 -13.797 4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -7.051 -12.894 3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -4.750 -14.163 1.756 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -6.340 -14.877 1.943 1.00 0.00 H new ATOM 0 HE ARG A 155 -6.389 -12.166 0.819 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -6.127 -15.625 0.167 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -6.684 -15.471 -1.502 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -7.105 -11.975 -1.327 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -7.235 -13.413 -2.345 1.00 0.00 H new ATOM 903 N GLY A 156 -1.710 -10.731 3.480 1.00 0.00 N ATOM 904 CA GLY A 156 -0.835 -9.695 2.964 1.00 0.00 C ATOM 905 C GLY A 156 -1.597 -8.465 2.512 1.00 0.00 C ATOM 906 O GLY A 156 -1.154 -7.743 1.619 1.00 0.00 O ATOM 0 H GLY A 156 -1.398 -11.161 4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -0.118 -9.412 3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -0.262 -10.092 2.126 1.00 0.00 H new ATOM 910 N LYS A 157 -2.749 -8.224 3.130 1.00 0.00 N ATOM 911 CA LYS A 157 -3.576 -7.074 2.787 1.00 0.00 C ATOM 912 C LYS A 157 -3.164 -5.848 3.596 1.00 0.00 C ATOM 913 O LYS A 157 -2.853 -5.950 4.783 1.00 0.00 O ATOM 914 CB LYS A 157 -5.053 -7.389 3.035 1.00 0.00 C ATOM 915 CG LYS A 157 -5.651 -8.342 2.015 1.00 0.00 C ATOM 916 CD LYS A 157 -7.059 -8.761 2.402 1.00 0.00 C ATOM 917 CE LYS A 157 -8.083 -7.710 2.002 1.00 0.00 C ATOM 918 NZ LYS A 157 -9.478 -8.202 2.173 1.00 0.00 N ATOM 0 H LYS A 157 -3.131 -8.811 3.872 1.00 0.00 H new ATOM 0 HA LYS A 157 -3.431 -6.856 1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -5.162 -7.820 4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -5.621 -6.459 3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -5.669 -7.864 1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -5.019 -9.226 1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -7.303 -9.709 1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -7.108 -8.927 3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -7.938 -6.813 2.605 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -7.923 -7.425 0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -10.146 -7.457 1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -9.625 -9.043 1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -9.639 -8.450 3.170 1.00 0.00 H new ATOM 932 N PHE A 158 -3.165 -4.688 2.946 1.00 0.00 N ATOM 933 CA PHE A 158 -2.792 -3.442 3.606 1.00 0.00 C ATOM 934 C PHE A 158 -4.017 -2.564 3.842 1.00 0.00 C ATOM 935 O PHE A 158 -4.733 -2.212 2.904 1.00 0.00 O ATOM 936 CB PHE A 158 -1.762 -2.684 2.766 1.00 0.00 C ATOM 937 CG PHE A 158 -1.363 -1.362 3.356 1.00 0.00 C ATOM 938 CD1 PHE A 158 -1.041 -1.258 4.700 1.00 0.00 C ATOM 939 CD2 PHE A 158 -1.308 -0.224 2.568 1.00 0.00 C ATOM 940 CE1 PHE A 158 -0.674 -0.042 5.246 1.00 0.00 C ATOM 941 CE2 PHE A 158 -0.942 0.994 3.108 1.00 0.00 C ATOM 942 CZ PHE A 158 -0.623 1.085 4.449 1.00 0.00 C ATOM 0 H PHE A 158 -3.420 -4.585 1.964 1.00 0.00 H new ATOM 0 HA PHE A 158 -2.352 -3.689 4.572 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -0.873 -3.304 2.649 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -2.169 -2.520 1.768 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -1.077 -2.136 5.328 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -1.554 -0.290 1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.427 0.027 6.295 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -0.905 1.874 2.483 1.00 0.00 H new ATOM 0 HZ PHE A 158 -0.334 2.035 4.873 1.00 0.00 H new ATOM 952 N ILE A 159 -4.253 -2.215 5.103 1.00 0.00 N ATOM 953 CA ILE A 159 -5.391 -1.378 5.463 1.00 0.00 C ATOM 954 C ILE A 159 -4.931 -0.061 6.079 1.00 0.00 C ATOM 955 O ILE A 159 -4.312 -0.044 7.143 1.00 0.00 O ATOM 956 CB ILE A 159 -6.327 -2.096 6.453 1.00 0.00 C ATOM 957 CG1 ILE A 159 -6.867 -3.386 5.833 1.00 0.00 C ATOM 958 CG2 ILE A 159 -7.470 -1.179 6.862 1.00 0.00 C ATOM 959 CD1 ILE A 159 -7.399 -4.369 6.852 1.00 0.00 C ATOM 0 H ILE A 159 -3.672 -2.499 5.892 1.00 0.00 H new ATOM 0 HA ILE A 159 -5.937 -1.174 4.542 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.758 -2.355 7.346 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -7.662 -3.137 5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -6.073 -3.864 5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -8.123 -1.701 7.562 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -7.067 -0.286 7.339 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -8.041 -0.892 5.979 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -7.765 -5.260 6.342 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -6.601 -4.647 7.540 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -8.215 -3.909 7.410 1.00 0.00 H new ATOM 971 N TYR A 160 -5.240 1.041 5.405 1.00 0.00 N ATOM 972 CA TYR A 160 -4.858 2.364 5.886 1.00 0.00 C ATOM 973 C TYR A 160 -6.062 3.100 6.466 1.00 0.00 C ATOM 974 O TYR A 160 -7.049 3.342 5.772 1.00 0.00 O ATOM 975 CB TYR A 160 -4.243 3.184 4.751 1.00 0.00 C ATOM 976 CG TYR A 160 -3.659 4.503 5.204 1.00 0.00 C ATOM 977 CD1 TYR A 160 -2.533 4.544 6.016 1.00 0.00 C ATOM 978 CD2 TYR A 160 -4.234 5.708 4.820 1.00 0.00 C ATOM 979 CE1 TYR A 160 -1.997 5.747 6.434 1.00 0.00 C ATOM 980 CE2 TYR A 160 -3.703 6.916 5.231 1.00 0.00 C ATOM 981 CZ TYR A 160 -2.585 6.930 6.038 1.00 0.00 C ATOM 982 OH TYR A 160 -2.053 8.130 6.451 1.00 0.00 O ATOM 0 H TYR A 160 -5.754 1.045 4.524 1.00 0.00 H new ATOM 0 HA TYR A 160 -4.117 2.237 6.676 1.00 0.00 H new ATOM 0 HB2 TYR A 160 -3.461 2.596 4.272 1.00 0.00 H new ATOM 0 HB3 TYR A 160 -5.006 3.374 3.997 1.00 0.00 H new ATOM 0 HD1 TYR A 160 -2.068 3.620 6.326 1.00 0.00 H new ATOM 0 HD2 TYR A 160 -5.111 5.701 4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 160 -1.122 5.761 7.067 1.00 0.00 H new ATOM 0 HE2 TYR A 160 -4.161 7.844 4.922 1.00 0.00 H new ATOM 0 HH TYR A 160 -1.627 8.015 7.326 1.00 0.00 H new ATOM 992 N ILE A 161 -5.970 3.454 7.744 1.00 0.00 N ATOM 993 CA ILE A 161 -7.050 4.165 8.418 1.00 0.00 C ATOM 994 C ILE A 161 -7.040 5.647 8.059 1.00 0.00 C ATOM 995 O ILE A 161 -6.098 6.370 8.382 1.00 0.00 O ATOM 996 CB ILE A 161 -6.950 4.018 9.948 1.00 0.00 C ATOM 997 CG1 ILE A 161 -6.989 2.541 10.344 1.00 0.00 C ATOM 998 CG2 ILE A 161 -8.075 4.784 10.628 1.00 0.00 C ATOM 999 CD1 ILE A 161 -6.433 2.270 11.725 1.00 0.00 C ATOM 0 H ILE A 161 -5.160 3.260 8.333 1.00 0.00 H new ATOM 0 HA ILE A 161 -7.984 3.718 8.078 1.00 0.00 H new ATOM 0 HB ILE A 161 -6.000 4.438 10.277 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -8.020 2.189 10.301 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -6.423 1.962 9.614 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -7.991 4.671 11.709 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -8.005 5.840 10.367 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -9.036 4.391 10.296 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.493 1.203 11.938 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.392 2.591 11.768 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -7.013 2.821 12.465 1.00 0.00 H new