USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=12 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 133 GLN :FLIP amide:sc= -0.317 X(o=-2,f=-1.7) USER MOD Set 1.2: A 137 ASN :FLIP amide:sc= -1.41 X(o=-2.1!,f=-1.7) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -1.27 K(o=-1.3,f=-2) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0237) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 87:sc= 0.546 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= -4.36! C(o=-4.4!,f=-5.6!) 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 140 GLN :FLIP amide:sc= -0.937 F(o=-2.7,f=-0.94) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 105 8.674 10.151 -5.906 1.00 0.00 N ATOM 67 CA PHE A 105 8.047 8.836 -5.847 1.00 0.00 C ATOM 68 C PHE A 105 7.380 8.610 -4.493 1.00 0.00 C ATOM 69 O PHE A 105 6.275 8.073 -4.415 1.00 0.00 O ATOM 70 CB PHE A 105 9.084 7.741 -6.106 1.00 0.00 C ATOM 71 CG PHE A 105 8.750 6.431 -5.452 1.00 0.00 C ATOM 72 CD1 PHE A 105 9.048 6.213 -4.116 1.00 0.00 C ATOM 73 CD2 PHE A 105 8.137 5.418 -6.172 1.00 0.00 C ATOM 74 CE1 PHE A 105 8.742 5.009 -3.511 1.00 0.00 C ATOM 75 CE2 PHE A 105 7.828 4.213 -5.571 1.00 0.00 C ATOM 76 CZ PHE A 105 8.132 4.007 -4.239 1.00 0.00 C ATOM 0 HA PHE A 105 7.281 8.792 -6.621 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.178 7.588 -7.181 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.056 8.080 -5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.525 6.993 -3.541 1.00 0.00 H new ATOM 0 HD2 PHE A 105 7.898 5.572 -7.214 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.980 4.852 -2.469 1.00 0.00 H new ATOM 0 HE2 PHE A 105 7.349 3.432 -6.142 1.00 0.00 H new ATOM 0 HZ PHE A 105 7.893 3.065 -3.769 1.00 0.00 H new ATOM 86 N LEU A 106 8.060 9.024 -3.430 1.00 0.00 N ATOM 87 CA LEU A 106 7.536 8.867 -2.078 1.00 0.00 C ATOM 88 C LEU A 106 6.353 9.801 -1.841 1.00 0.00 C ATOM 89 O LEU A 106 5.342 9.406 -1.260 1.00 0.00 O ATOM 90 CB LEU A 106 8.633 9.144 -1.049 1.00 0.00 C ATOM 91 CG LEU A 106 9.133 10.587 -0.972 1.00 0.00 C ATOM 92 CD1 LEU A 106 8.315 11.383 0.033 1.00 0.00 C ATOM 93 CD2 LEU A 106 10.610 10.621 -0.607 1.00 0.00 C ATOM 0 H LEU A 106 8.976 9.471 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 106 7.192 7.839 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.262 8.857 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.482 8.498 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 106 9.011 11.046 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.686 12.407 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.269 11.388 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.404 10.925 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.949 11.656 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.756 10.144 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.184 10.088 -1.365 1.00 0.00 H new ATOM 105 N THR A 107 6.486 11.044 -2.296 1.00 0.00 N ATOM 106 CA THR A 107 5.429 12.034 -2.135 1.00 0.00 C ATOM 107 C THR A 107 4.195 11.658 -2.947 1.00 0.00 C ATOM 108 O THR A 107 3.072 11.711 -2.446 1.00 0.00 O ATOM 109 CB THR A 107 5.903 13.436 -2.563 1.00 0.00 C ATOM 110 OG1 THR A 107 7.096 13.787 -1.853 1.00 0.00 O ATOM 111 CG2 THR A 107 4.824 14.476 -2.298 1.00 0.00 C ATOM 0 H THR A 107 7.316 11.388 -2.779 1.00 0.00 H new ATOM 0 HA THR A 107 5.172 12.052 -1.076 1.00 0.00 H new ATOM 0 HB THR A 107 6.110 13.415 -3.633 1.00 0.00 H new ATOM 0 HG1 THR A 107 7.392 14.679 -2.132 1.00 0.00 H new ATOM 0 HG21 THR A 107 5.181 15.458 -2.608 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.927 14.221 -2.862 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.590 14.494 -1.234 1.00 0.00 H new ATOM 119 N GLU A 108 4.411 11.277 -4.202 1.00 0.00 N ATOM 120 CA GLU A 108 3.315 10.892 -5.083 1.00 0.00 C ATOM 121 C GLU A 108 2.674 9.588 -4.616 1.00 0.00 C ATOM 122 O GLU A 108 1.455 9.425 -4.677 1.00 0.00 O ATOM 123 CB GLU A 108 3.815 10.741 -6.521 1.00 0.00 C ATOM 124 CG GLU A 108 3.814 12.042 -7.305 1.00 0.00 C ATOM 125 CD GLU A 108 2.434 12.421 -7.805 1.00 0.00 C ATOM 126 OE1 GLU A 108 1.480 12.386 -7.000 1.00 0.00 O ATOM 127 OE2 GLU A 108 2.307 12.754 -9.002 1.00 0.00 O ATOM 0 H GLU A 108 5.335 11.227 -4.631 1.00 0.00 H new ATOM 0 HA GLU A 108 2.562 11.680 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.827 10.337 -6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.190 10.014 -7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.200 12.842 -6.674 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.491 11.951 -8.154 1.00 0.00 H new ATOM 134 N PHE A 109 3.505 8.661 -4.150 1.00 0.00 N ATOM 135 CA PHE A 109 3.022 7.370 -3.674 1.00 0.00 C ATOM 136 C PHE A 109 2.172 7.537 -2.418 1.00 0.00 C ATOM 137 O PHE A 109 1.070 6.995 -2.325 1.00 0.00 O ATOM 138 CB PHE A 109 4.198 6.435 -3.386 1.00 0.00 C ATOM 139 CG PHE A 109 3.783 5.097 -2.845 1.00 0.00 C ATOM 140 CD1 PHE A 109 2.853 4.321 -3.519 1.00 0.00 C ATOM 141 CD2 PHE A 109 4.321 4.616 -1.663 1.00 0.00 C ATOM 142 CE1 PHE A 109 2.469 3.090 -3.022 1.00 0.00 C ATOM 143 CE2 PHE A 109 3.941 3.385 -1.162 1.00 0.00 C ATOM 144 CZ PHE A 109 3.014 2.621 -1.843 1.00 0.00 C ATOM 0 H PHE A 109 4.516 8.780 -4.092 1.00 0.00 H new ATOM 0 HA PHE A 109 2.402 6.932 -4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 109 4.766 6.286 -4.304 1.00 0.00 H new ATOM 0 HB3 PHE A 109 4.867 6.915 -2.672 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.424 4.682 -4.442 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.046 5.210 -1.126 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.743 2.495 -3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.368 3.021 -0.239 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.716 1.659 -1.454 1.00 0.00 H new ATOM 154 N ILE A 110 2.691 8.291 -1.455 1.00 0.00 N ATOM 155 CA ILE A 110 1.981 8.530 -0.205 1.00 0.00 C ATOM 156 C ILE A 110 0.658 9.248 -0.453 1.00 0.00 C ATOM 157 O ILE A 110 -0.377 8.868 0.092 1.00 0.00 O ATOM 158 CB ILE A 110 2.828 9.364 0.774 1.00 0.00 C ATOM 159 CG1 ILE A 110 4.085 8.592 1.180 1.00 0.00 C ATOM 160 CG2 ILE A 110 2.008 9.735 2.000 1.00 0.00 C ATOM 161 CD1 ILE A 110 5.161 9.465 1.787 1.00 0.00 C ATOM 0 H ILE A 110 3.601 8.747 -1.517 1.00 0.00 H new ATOM 0 HA ILE A 110 1.785 7.553 0.238 1.00 0.00 H new ATOM 0 HB ILE A 110 3.135 10.283 0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.810 7.817 1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.490 8.087 0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.620 10.324 2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.140 10.320 1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.675 8.827 2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 110 6.022 8.851 2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 110 5.464 10.224 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.773 9.950 2.683 1.00 0.00 H new ATOM 173 N ASN A 111 0.701 10.286 -1.282 1.00 0.00 N ATOM 174 CA ASN A 111 -0.495 11.057 -1.604 1.00 0.00 C ATOM 175 C ASN A 111 -1.597 10.150 -2.145 1.00 0.00 C ATOM 176 O ASN A 111 -2.778 10.359 -1.868 1.00 0.00 O ATOM 177 CB ASN A 111 -0.165 12.144 -2.629 1.00 0.00 C ATOM 178 CG ASN A 111 0.715 13.235 -2.051 1.00 0.00 C ATOM 179 OD1 ASN A 111 0.781 13.417 -0.835 1.00 0.00 O ATOM 180 ND2 ASN A 111 1.398 13.968 -2.923 1.00 0.00 N ATOM 0 H ASN A 111 1.550 10.613 -1.743 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.852 11.527 -0.688 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.336 11.692 -3.485 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.091 12.585 -2.998 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.007 14.717 -2.593 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.313 13.782 -3.922 1.00 0.00 H new ATOM 187 N TYR A 112 -1.202 9.143 -2.915 1.00 0.00 N ATOM 188 CA TYR A 112 -2.155 8.205 -3.496 1.00 0.00 C ATOM 189 C TYR A 112 -2.750 7.299 -2.423 1.00 0.00 C ATOM 190 O TYR A 112 -3.933 6.957 -2.469 1.00 0.00 O ATOM 191 CB TYR A 112 -1.478 7.360 -4.576 1.00 0.00 C ATOM 192 CG TYR A 112 -2.431 6.455 -5.323 1.00 0.00 C ATOM 193 CD1 TYR A 112 -3.597 6.957 -5.889 1.00 0.00 C ATOM 194 CD2 TYR A 112 -2.166 5.099 -5.465 1.00 0.00 C ATOM 195 CE1 TYR A 112 -4.471 6.134 -6.572 1.00 0.00 C ATOM 196 CE2 TYR A 112 -3.034 4.268 -6.148 1.00 0.00 C ATOM 197 CZ TYR A 112 -4.185 4.791 -6.699 1.00 0.00 C ATOM 198 OH TYR A 112 -5.053 3.968 -7.380 1.00 0.00 O ATOM 0 H TYR A 112 -0.228 8.955 -3.152 1.00 0.00 H new ATOM 0 HA TYR A 112 -2.963 8.780 -3.949 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -0.986 8.022 -5.288 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.699 6.752 -4.115 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.823 8.009 -5.793 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.266 4.687 -5.034 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -5.374 6.540 -7.004 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -2.812 3.216 -6.250 1.00 0.00 H new ATOM 0 HH TYR A 112 -4.704 3.052 -7.379 1.00 0.00 H new ATOM 208 N ILE A 113 -1.923 6.914 -1.458 1.00 0.00 N ATOM 209 CA ILE A 113 -2.366 6.049 -0.372 1.00 0.00 C ATOM 210 C ILE A 113 -3.370 6.764 0.526 1.00 0.00 C ATOM 211 O ILE A 113 -4.361 6.176 0.960 1.00 0.00 O ATOM 212 CB ILE A 113 -1.181 5.567 0.485 1.00 0.00 C ATOM 213 CG1 ILE A 113 -0.177 4.800 -0.379 1.00 0.00 C ATOM 214 CG2 ILE A 113 -1.674 4.698 1.632 1.00 0.00 C ATOM 215 CD1 ILE A 113 1.171 4.614 0.282 1.00 0.00 C ATOM 0 H ILE A 113 -0.942 7.187 -1.406 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.845 5.185 -0.833 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.679 6.438 0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.592 3.822 -0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.040 5.331 -1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.824 4.366 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -2.354 5.275 2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -2.198 3.830 1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.831 4.063 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.607 5.589 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.047 4.056 1.210 1.00 0.00 H new ATOM 227 N LYS A 114 -3.108 8.037 0.800 1.00 0.00 N ATOM 228 CA LYS A 114 -3.989 8.836 1.643 1.00 0.00 C ATOM 229 C LYS A 114 -5.423 8.795 1.125 1.00 0.00 C ATOM 230 O LYS A 114 -6.360 8.528 1.878 1.00 0.00 O ATOM 231 CB LYS A 114 -3.498 10.284 1.702 1.00 0.00 C ATOM 232 CG LYS A 114 -2.160 10.445 2.403 1.00 0.00 C ATOM 233 CD LYS A 114 -2.298 10.293 3.909 1.00 0.00 C ATOM 234 CE LYS A 114 -1.100 10.879 4.640 1.00 0.00 C ATOM 235 NZ LYS A 114 -1.151 12.367 4.686 1.00 0.00 N ATOM 0 H LYS A 114 -2.291 8.538 0.450 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.972 8.412 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.416 10.672 0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.243 10.891 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -1.458 9.702 2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.743 11.425 2.172 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.209 10.790 4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.399 9.237 4.162 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.066 10.485 5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.182 10.562 4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -0.384 12.722 5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.038 12.748 3.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.067 12.671 5.074 1.00 0.00 H new ATOM 249 N LYS A 115 -5.588 9.059 -0.167 1.00 0.00 N ATOM 250 CA LYS A 115 -6.907 9.050 -0.788 1.00 0.00 C ATOM 251 C LYS A 115 -7.435 7.625 -0.923 1.00 0.00 C ATOM 252 O LYS A 115 -8.609 7.361 -0.667 1.00 0.00 O ATOM 253 CB LYS A 115 -6.851 9.718 -2.164 1.00 0.00 C ATOM 254 CG LYS A 115 -6.269 11.120 -2.136 1.00 0.00 C ATOM 255 CD LYS A 115 -5.759 11.540 -3.504 1.00 0.00 C ATOM 256 CE LYS A 115 -6.901 11.941 -4.425 1.00 0.00 C ATOM 257 NZ LYS A 115 -6.547 11.758 -5.860 1.00 0.00 N ATOM 0 H LYS A 115 -4.824 9.282 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 115 -7.587 9.611 -0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.255 9.099 -2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.858 9.760 -2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.030 11.824 -1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.453 11.162 -1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -5.067 12.375 -3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.199 10.719 -3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -7.783 11.346 -4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -7.163 12.984 -4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.351 12.042 -6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.721 12.345 -6.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -6.322 10.758 -6.037 1.00 0.00 H new ATOM 271 N SER A 116 -6.559 6.711 -1.327 1.00 0.00 N ATOM 272 CA SER A 116 -6.937 5.313 -1.499 1.00 0.00 C ATOM 273 C SER A 116 -7.202 4.652 -0.150 1.00 0.00 C ATOM 274 O SER A 116 -6.272 4.276 0.565 1.00 0.00 O ATOM 275 CB SER A 116 -5.838 4.553 -2.245 1.00 0.00 C ATOM 276 OG SER A 116 -5.706 5.024 -3.575 1.00 0.00 O ATOM 0 H SER A 116 -5.583 6.913 -1.541 1.00 0.00 H new ATOM 0 HA SER A 116 -7.854 5.280 -2.087 1.00 0.00 H new ATOM 0 HB2 SER A 116 -4.890 4.668 -1.719 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.070 3.488 -2.254 1.00 0.00 H new ATOM 0 HG SER A 116 -5.093 5.788 -3.592 1.00 0.00 H new ATOM 282 N LYS A 117 -8.478 4.513 0.194 1.00 0.00 N ATOM 283 CA LYS A 117 -8.868 3.897 1.456 1.00 0.00 C ATOM 284 C LYS A 117 -8.285 2.493 1.579 1.00 0.00 C ATOM 285 O LYS A 117 -7.757 2.118 2.627 1.00 0.00 O ATOM 286 CB LYS A 117 -10.393 3.839 1.569 1.00 0.00 C ATOM 287 CG LYS A 117 -10.888 3.516 2.968 1.00 0.00 C ATOM 288 CD LYS A 117 -12.381 3.234 2.981 1.00 0.00 C ATOM 289 CE LYS A 117 -12.780 2.399 4.188 1.00 0.00 C ATOM 290 NZ LYS A 117 -12.785 3.204 5.441 1.00 0.00 N ATOM 0 H LYS A 117 -9.260 4.819 -0.385 1.00 0.00 H new ATOM 0 HA LYS A 117 -8.473 4.508 2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -10.809 4.798 1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -10.772 3.088 0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -10.350 2.650 3.354 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -10.669 4.351 3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -12.930 4.176 2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -12.662 2.711 2.067 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -13.771 1.975 4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -12.089 1.563 4.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.062 2.600 6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -11.834 3.588 5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -13.463 3.987 5.348 1.00 0.00 H new ATOM 304 N VAL A 118 -8.383 1.720 0.502 1.00 0.00 N ATOM 305 CA VAL A 118 -7.863 0.358 0.489 1.00 0.00 C ATOM 306 C VAL A 118 -6.932 0.136 -0.698 1.00 0.00 C ATOM 307 O VAL A 118 -7.340 0.263 -1.852 1.00 0.00 O ATOM 308 CB VAL A 118 -9.002 -0.678 0.435 1.00 0.00 C ATOM 309 CG1 VAL A 118 -8.438 -2.089 0.368 1.00 0.00 C ATOM 310 CG2 VAL A 118 -9.923 -0.519 1.635 1.00 0.00 C ATOM 0 H VAL A 118 -8.818 2.014 -0.373 1.00 0.00 H new ATOM 0 HA VAL A 118 -7.304 0.224 1.415 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.586 -0.503 -0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.257 -2.807 0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.823 -2.193 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.829 -2.280 1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.722 -1.259 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -9.354 -0.666 2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.354 0.482 1.632 1.00 0.00 H new ATOM 320 N VAL A 119 -5.678 -0.196 -0.406 1.00 0.00 N ATOM 321 CA VAL A 119 -4.689 -0.437 -1.449 1.00 0.00 C ATOM 322 C VAL A 119 -4.190 -1.877 -1.412 1.00 0.00 C ATOM 323 O VAL A 119 -3.855 -2.403 -0.349 1.00 0.00 O ATOM 324 CB VAL A 119 -3.485 0.515 -1.312 1.00 0.00 C ATOM 325 CG1 VAL A 119 -2.504 0.303 -2.455 1.00 0.00 C ATOM 326 CG2 VAL A 119 -3.954 1.961 -1.262 1.00 0.00 C ATOM 0 H VAL A 119 -5.324 -0.304 0.544 1.00 0.00 H new ATOM 0 HA VAL A 119 -5.184 -0.251 -2.402 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.970 0.291 -0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.660 0.984 -2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.144 -0.726 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.003 0.499 -3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.091 2.620 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.493 2.201 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.615 2.100 -0.406 1.00 0.00 H new ATOM 336 N LEU A 120 -4.144 -2.512 -2.578 1.00 0.00 N ATOM 337 CA LEU A 120 -3.685 -3.893 -2.680 1.00 0.00 C ATOM 338 C LEU A 120 -2.227 -3.951 -3.123 1.00 0.00 C ATOM 339 O LEU A 120 -1.808 -3.214 -4.016 1.00 0.00 O ATOM 340 CB LEU A 120 -4.561 -4.670 -3.664 1.00 0.00 C ATOM 341 CG LEU A 120 -5.849 -5.264 -3.093 1.00 0.00 C ATOM 342 CD1 LEU A 120 -6.776 -4.160 -2.609 1.00 0.00 C ATOM 343 CD2 LEU A 120 -6.545 -6.129 -4.134 1.00 0.00 C ATOM 0 H LEU A 120 -4.419 -2.093 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.763 -4.350 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.825 -4.006 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.967 -5.481 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.590 -5.893 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.688 -4.601 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.278 -3.582 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.028 -3.505 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -7.460 -6.543 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.791 -5.522 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -5.883 -6.942 -4.433 1.00 0.00 H new ATOM 355 N LEU A 121 -1.458 -4.834 -2.494 1.00 0.00 N ATOM 356 CA LEU A 121 -0.046 -4.991 -2.825 1.00 0.00 C ATOM 357 C LEU A 121 0.124 -5.583 -4.220 1.00 0.00 C ATOM 358 O LEU A 121 0.981 -5.148 -4.988 1.00 0.00 O ATOM 359 CB LEU A 121 0.644 -5.884 -1.792 1.00 0.00 C ATOM 360 CG LEU A 121 0.448 -5.490 -0.327 1.00 0.00 C ATOM 361 CD1 LEU A 121 0.871 -6.626 0.592 1.00 0.00 C ATOM 362 CD2 LEU A 121 1.229 -4.224 -0.007 1.00 0.00 C ATOM 0 H LEU A 121 -1.789 -5.452 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 121 0.417 -4.004 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 121 0.284 -6.904 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.713 -5.893 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.611 -5.292 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.725 -6.328 1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 121 0.269 -7.509 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 121 1.923 -6.856 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.078 -3.958 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.290 -4.395 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 121 0.879 -3.410 -0.642 1.00 0.00 H new ATOM 374 N GLU A 122 -0.700 -6.576 -4.540 1.00 0.00 N ATOM 375 CA GLU A 122 -0.641 -7.226 -5.844 1.00 0.00 C ATOM 376 C GLU A 122 -1.016 -6.250 -6.956 1.00 0.00 C ATOM 377 O GLU A 122 -0.373 -6.211 -8.005 1.00 0.00 O ATOM 378 CB GLU A 122 -1.574 -8.438 -5.878 1.00 0.00 C ATOM 379 CG GLU A 122 -0.947 -9.705 -5.321 1.00 0.00 C ATOM 380 CD GLU A 122 -1.981 -10.740 -4.921 1.00 0.00 C ATOM 381 OE1 GLU A 122 -2.416 -11.514 -5.798 1.00 0.00 O ATOM 382 OE2 GLU A 122 -2.353 -10.775 -3.729 1.00 0.00 O ATOM 0 H GLU A 122 -1.415 -6.947 -3.915 1.00 0.00 H new ATOM 0 HA GLU A 122 0.383 -7.561 -6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.475 -8.208 -5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.884 -8.618 -6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -0.279 -10.134 -6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -0.336 -9.453 -4.454 1.00 0.00 H new ATOM 389 N ASP A 123 -2.061 -5.465 -6.718 1.00 0.00 N ATOM 390 CA ASP A 123 -2.522 -4.489 -7.699 1.00 0.00 C ATOM 391 C ASP A 123 -1.590 -3.282 -7.744 1.00 0.00 C ATOM 392 O ASP A 123 -1.312 -2.739 -8.814 1.00 0.00 O ATOM 393 CB ASP A 123 -3.945 -4.037 -7.368 1.00 0.00 C ATOM 394 CG ASP A 123 -4.637 -3.389 -8.552 1.00 0.00 C ATOM 395 OD1 ASP A 123 -4.453 -2.170 -8.753 1.00 0.00 O ATOM 396 OD2 ASP A 123 -5.360 -4.102 -9.279 1.00 0.00 O ATOM 0 H ASP A 123 -2.605 -5.485 -5.855 1.00 0.00 H new ATOM 0 HA ASP A 123 -2.518 -4.965 -8.679 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.528 -4.896 -7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.915 -3.332 -6.538 1.00 0.00 H new ATOM 401 N LEU A 124 -1.110 -2.867 -6.577 1.00 0.00 N ATOM 402 CA LEU A 124 -0.209 -1.724 -6.483 1.00 0.00 C ATOM 403 C LEU A 124 1.088 -1.988 -7.241 1.00 0.00 C ATOM 404 O LEU A 124 1.623 -1.100 -7.904 1.00 0.00 O ATOM 405 CB LEU A 124 0.098 -1.410 -5.018 1.00 0.00 C ATOM 406 CG LEU A 124 1.069 -0.256 -4.767 1.00 0.00 C ATOM 407 CD1 LEU A 124 0.357 1.081 -4.913 1.00 0.00 C ATOM 408 CD2 LEU A 124 1.699 -0.378 -3.388 1.00 0.00 C ATOM 0 H LEU A 124 -1.330 -3.305 -5.682 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.704 -0.865 -6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.841 -1.185 -4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 124 0.504 -2.308 -4.552 1.00 0.00 H new ATOM 0 HG LEU A 124 1.863 -0.306 -5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.063 1.891 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.046 1.171 -5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.457 1.140 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 124 2.387 0.452 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.918 -0.354 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.244 -1.319 -3.319 1.00 0.00 H new ATOM 420 N ALA A 125 1.586 -3.216 -7.141 1.00 0.00 N ATOM 421 CA ALA A 125 2.817 -3.599 -7.820 1.00 0.00 C ATOM 422 C ALA A 125 2.678 -3.454 -9.332 1.00 0.00 C ATOM 423 O ALA A 125 3.552 -2.896 -9.995 1.00 0.00 O ATOM 424 CB ALA A 125 3.198 -5.027 -7.458 1.00 0.00 C ATOM 0 H ALA A 125 1.155 -3.963 -6.596 1.00 0.00 H new ATOM 0 HA ALA A 125 3.609 -2.928 -7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 125 4.119 -5.299 -7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 125 3.348 -5.102 -6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.400 -5.704 -7.761 1.00 0.00 H new ATOM 430 N PHE A 126 1.574 -3.961 -9.871 1.00 0.00 N ATOM 431 CA PHE A 126 1.321 -3.889 -11.305 1.00 0.00 C ATOM 432 C PHE A 126 1.030 -2.454 -11.735 1.00 0.00 C ATOM 433 O PHE A 126 1.516 -1.995 -12.768 1.00 0.00 O ATOM 434 CB PHE A 126 0.148 -4.795 -11.684 1.00 0.00 C ATOM 435 CG PHE A 126 -0.266 -4.670 -13.122 1.00 0.00 C ATOM 436 CD1 PHE A 126 -1.145 -3.676 -13.521 1.00 0.00 C ATOM 437 CD2 PHE A 126 0.225 -5.547 -14.077 1.00 0.00 C ATOM 438 CE1 PHE A 126 -1.527 -3.560 -14.844 1.00 0.00 C ATOM 439 CE2 PHE A 126 -0.154 -5.436 -15.401 1.00 0.00 C ATOM 440 CZ PHE A 126 -1.030 -4.440 -15.785 1.00 0.00 C ATOM 0 H PHE A 126 0.840 -4.426 -9.336 1.00 0.00 H new ATOM 0 HA PHE A 126 2.217 -4.230 -11.824 1.00 0.00 H new ATOM 0 HB2 PHE A 126 0.419 -5.831 -11.481 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -0.704 -4.558 -11.047 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -1.536 -2.984 -12.790 1.00 0.00 H new ATOM 0 HD2 PHE A 126 0.912 -6.326 -13.782 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -2.214 -2.782 -15.142 1.00 0.00 H new ATOM 0 HE2 PHE A 126 0.234 -6.127 -16.134 1.00 0.00 H new ATOM 0 HZ PHE A 126 -1.326 -4.349 -16.820 1.00 0.00 H new ATOM 450 N GLN A 127 0.234 -1.753 -10.934 1.00 0.00 N ATOM 451 CA GLN A 127 -0.124 -0.371 -11.232 1.00 0.00 C ATOM 452 C GLN A 127 1.124 0.489 -11.404 1.00 0.00 C ATOM 453 O GLN A 127 1.232 1.259 -12.357 1.00 0.00 O ATOM 454 CB GLN A 127 -1.003 0.202 -10.120 1.00 0.00 C ATOM 455 CG GLN A 127 -1.632 1.540 -10.470 1.00 0.00 C ATOM 456 CD GLN A 127 -0.604 2.586 -10.854 1.00 0.00 C ATOM 457 OE1 GLN A 127 0.296 2.903 -10.077 1.00 0.00 O ATOM 458 NE2 GLN A 127 -0.732 3.128 -12.060 1.00 0.00 N ATOM 0 H GLN A 127 -0.175 -2.119 -10.074 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.683 -0.361 -12.168 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -1.793 -0.512 -9.889 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -0.403 0.317 -9.217 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -2.331 1.404 -11.295 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -2.210 1.899 -9.618 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -1.494 2.836 -12.672 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -0.069 3.837 -12.374 1.00 0.00 H new ATOM 467 N MET A 128 2.064 0.352 -10.474 1.00 0.00 N ATOM 468 CA MET A 128 3.305 1.116 -10.523 1.00 0.00 C ATOM 469 C MET A 128 4.412 0.312 -11.196 1.00 0.00 C ATOM 470 O MET A 128 5.513 0.816 -11.415 1.00 0.00 O ATOM 471 CB MET A 128 3.736 1.520 -9.112 1.00 0.00 C ATOM 472 CG MET A 128 2.918 2.662 -8.530 1.00 0.00 C ATOM 473 SD MET A 128 3.754 3.489 -7.163 1.00 0.00 S ATOM 474 CE MET A 128 2.842 5.029 -7.090 1.00 0.00 C ATOM 0 H MET A 128 1.990 -0.281 -9.678 1.00 0.00 H new ATOM 0 HA MET A 128 3.126 2.016 -11.111 1.00 0.00 H new ATOM 0 HB2 MET A 128 3.655 0.654 -8.455 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.787 1.809 -9.131 1.00 0.00 H new ATOM 0 HG2 MET A 128 2.706 3.389 -9.314 1.00 0.00 H new ATOM 0 HG3 MET A 128 1.958 2.277 -8.185 1.00 0.00 H new ATOM 0 HE1 MET A 128 3.243 5.652 -6.290 1.00 0.00 H new ATOM 0 HE2 MET A 128 2.937 5.554 -8.041 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.790 4.820 -6.895 1.00 0.00 H new ATOM 484 N GLY A 129 4.114 -0.943 -11.520 1.00 0.00 N ATOM 485 CA GLY A 129 5.095 -1.797 -12.163 1.00 0.00 C ATOM 486 C GLY A 129 6.038 -2.446 -11.170 1.00 0.00 C ATOM 487 O GLY A 129 6.430 -3.602 -11.339 1.00 0.00 O ATOM 0 H GLY A 129 3.210 -1.383 -11.348 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.581 -2.572 -12.731 1.00 0.00 H new ATOM 0 HA3 GLY A 129 5.672 -1.209 -12.877 1.00 0.00 H new ATOM 491 N LEU A 130 6.406 -1.703 -10.133 1.00 0.00 N ATOM 492 CA LEU A 130 7.311 -2.213 -9.108 1.00 0.00 C ATOM 493 C LEU A 130 6.917 -3.625 -8.688 1.00 0.00 C ATOM 494 O LEU A 130 5.787 -4.058 -8.914 1.00 0.00 O ATOM 495 CB LEU A 130 7.309 -1.286 -7.891 1.00 0.00 C ATOM 496 CG LEU A 130 7.749 0.156 -8.144 1.00 0.00 C ATOM 497 CD1 LEU A 130 7.339 1.050 -6.985 1.00 0.00 C ATOM 498 CD2 LEU A 130 9.253 0.223 -8.367 1.00 0.00 C ATOM 0 H LEU A 130 6.092 -0.745 -9.979 1.00 0.00 H new ATOM 0 HA LEU A 130 8.316 -2.247 -9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.302 -1.269 -7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.962 -1.716 -7.131 1.00 0.00 H new ATOM 0 HG LEU A 130 7.252 0.515 -9.045 1.00 0.00 H new ATOM 0 HD11 LEU A 130 7.661 2.073 -7.183 1.00 0.00 H new ATOM 0 HD12 LEU A 130 6.255 1.026 -6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 130 7.807 0.694 -6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.549 1.257 -8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 130 9.769 -0.155 -7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 130 9.520 -0.385 -9.231 1.00 0.00 H new ATOM 510 N ARG A 131 7.856 -4.337 -8.073 1.00 0.00 N ATOM 511 CA ARG A 131 7.607 -5.700 -7.620 1.00 0.00 C ATOM 512 C ARG A 131 6.765 -5.704 -6.347 1.00 0.00 C ATOM 513 O ARG A 131 6.786 -4.748 -5.572 1.00 0.00 O ATOM 514 CB ARG A 131 8.929 -6.428 -7.372 1.00 0.00 C ATOM 515 CG ARG A 131 9.729 -6.687 -8.638 1.00 0.00 C ATOM 516 CD ARG A 131 9.089 -7.773 -9.488 1.00 0.00 C ATOM 517 NE ARG A 131 9.285 -9.103 -8.916 1.00 0.00 N ATOM 518 CZ ARG A 131 10.403 -9.805 -9.056 1.00 0.00 C ATOM 519 NH1 ARG A 131 11.421 -9.307 -9.744 1.00 0.00 N ATOM 520 NH2 ARG A 131 10.506 -11.008 -8.506 1.00 0.00 N ATOM 0 H ARG A 131 8.796 -3.992 -7.877 1.00 0.00 H new ATOM 0 HA ARG A 131 7.055 -6.221 -8.402 1.00 0.00 H new ATOM 0 HB2 ARG A 131 9.535 -5.839 -6.684 1.00 0.00 H new ATOM 0 HB3 ARG A 131 8.724 -7.379 -6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 131 9.804 -5.767 -9.217 1.00 0.00 H new ATOM 0 HG3 ARG A 131 10.745 -6.981 -8.374 1.00 0.00 H new ATOM 0 HD2 ARG A 131 8.022 -7.574 -9.586 1.00 0.00 H new ATOM 0 HD3 ARG A 131 9.512 -7.744 -10.492 1.00 0.00 H new ATOM 0 HE ARG A 131 8.521 -9.515 -8.380 1.00 0.00 H new ATOM 0 HH11 ARG A 131 11.346 -8.382 -10.167 1.00 0.00 H new ATOM 0 HH12 ARG A 131 12.279 -9.849 -9.850 1.00 0.00 H new ATOM 0 HH21 ARG A 131 9.726 -11.394 -7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 131 11.366 -11.546 -8.614 1.00 0.00 H new ATOM 534 N THR A 132 6.024 -6.788 -6.138 1.00 0.00 N ATOM 535 CA THR A 132 5.173 -6.917 -4.961 1.00 0.00 C ATOM 536 C THR A 132 5.984 -6.772 -3.678 1.00 0.00 C ATOM 537 O THR A 132 5.564 -6.094 -2.741 1.00 0.00 O ATOM 538 CB THR A 132 4.441 -8.272 -4.942 1.00 0.00 C ATOM 539 OG1 THR A 132 3.761 -8.478 -6.185 1.00 0.00 O ATOM 540 CG2 THR A 132 3.443 -8.332 -3.796 1.00 0.00 C ATOM 0 H THR A 132 5.996 -7.589 -6.769 1.00 0.00 H new ATOM 0 HA THR A 132 4.436 -6.116 -5.015 1.00 0.00 H new ATOM 0 HB THR A 132 5.182 -9.059 -4.799 1.00 0.00 H new ATOM 0 HG1 THR A 132 3.299 -9.342 -6.166 1.00 0.00 H new ATOM 0 HG21 THR A 132 2.938 -9.298 -3.803 1.00 0.00 H new ATOM 0 HG22 THR A 132 3.968 -8.204 -2.849 1.00 0.00 H new ATOM 0 HG23 THR A 132 2.706 -7.537 -3.913 1.00 0.00 H new ATOM 548 N GLN A 133 7.148 -7.413 -3.644 1.00 0.00 N ATOM 549 CA GLN A 133 8.018 -7.354 -2.475 1.00 0.00 C ATOM 550 C GLN A 133 8.607 -5.958 -2.304 1.00 0.00 C ATOM 551 O GLN A 133 8.635 -5.417 -1.198 1.00 0.00 O ATOM 552 CB GLN A 133 9.143 -8.384 -2.598 1.00 0.00 C ATOM 553 CG GLN A 133 9.884 -8.634 -1.295 1.00 0.00 C ATOM 554 CD GLN A 133 8.956 -9.030 -0.163 1.00 0.00 C ATOM 555 OE1 GLN A 133 8.486 -8.043 0.590 1.00 0.00 O flip ATOM 556 NE2 GLN A 133 8.666 -10.211 0.033 1.00 0.00 N flip ATOM 0 H GLN A 133 7.510 -7.979 -4.412 1.00 0.00 H new ATOM 0 HA GLN A 133 7.418 -7.585 -1.595 1.00 0.00 H new ATOM 0 HB2 GLN A 133 8.725 -9.325 -2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 133 9.854 -8.045 -3.351 1.00 0.00 H new ATOM 0 HG2 GLN A 133 10.623 -9.421 -1.447 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.431 -7.734 -1.014 1.00 0.00 H new ATOM 0 HE21 GLN A 133 9.050 -10.938 -0.571 1.00 0.00 H new ATOM 0 HE22 GLN A 133 8.041 -10.462 0.799 1.00 0.00 H new ATOM 565 N ASP A 134 9.075 -5.380 -3.404 1.00 0.00 N ATOM 566 CA ASP A 134 9.663 -4.046 -3.376 1.00 0.00 C ATOM 567 C ASP A 134 8.665 -3.023 -2.843 1.00 0.00 C ATOM 568 O ASP A 134 8.986 -2.229 -1.959 1.00 0.00 O ATOM 569 CB ASP A 134 10.129 -3.641 -4.775 1.00 0.00 C ATOM 570 CG ASP A 134 10.749 -2.257 -4.801 1.00 0.00 C ATOM 571 OD1 ASP A 134 10.272 -1.380 -4.052 1.00 0.00 O ATOM 572 OD2 ASP A 134 11.711 -2.052 -5.572 1.00 0.00 O ATOM 0 H ASP A 134 9.059 -5.814 -4.327 1.00 0.00 H new ATOM 0 HA ASP A 134 10.524 -4.070 -2.708 1.00 0.00 H new ATOM 0 HB2 ASP A 134 10.856 -4.368 -5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 134 9.281 -3.669 -5.459 1.00 0.00 H new ATOM 577 N ALA A 135 7.453 -3.048 -3.388 1.00 0.00 N ATOM 578 CA ALA A 135 6.407 -2.124 -2.966 1.00 0.00 C ATOM 579 C ALA A 135 6.074 -2.308 -1.490 1.00 0.00 C ATOM 580 O ALA A 135 5.952 -1.334 -0.745 1.00 0.00 O ATOM 581 CB ALA A 135 5.161 -2.313 -3.818 1.00 0.00 C ATOM 0 H ALA A 135 7.171 -3.698 -4.122 1.00 0.00 H new ATOM 0 HA ALA A 135 6.777 -1.108 -3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 135 4.388 -1.617 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 135 5.403 -2.123 -4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 135 4.798 -3.335 -3.710 1.00 0.00 H new ATOM 587 N ILE A 136 5.927 -3.561 -1.073 1.00 0.00 N ATOM 588 CA ILE A 136 5.608 -3.871 0.315 1.00 0.00 C ATOM 589 C ILE A 136 6.699 -3.370 1.255 1.00 0.00 C ATOM 590 O ILE A 136 6.418 -2.695 2.244 1.00 0.00 O ATOM 591 CB ILE A 136 5.421 -5.386 0.525 1.00 0.00 C ATOM 592 CG1 ILE A 136 4.189 -5.880 -0.237 1.00 0.00 C ATOM 593 CG2 ILE A 136 5.297 -5.704 2.007 1.00 0.00 C ATOM 594 CD1 ILE A 136 4.183 -7.374 -0.471 1.00 0.00 C ATOM 0 H ILE A 136 6.024 -4.378 -1.676 1.00 0.00 H new ATOM 0 HA ILE A 136 4.672 -3.362 0.545 1.00 0.00 H new ATOM 0 HB ILE A 136 6.298 -5.903 0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 136 3.293 -5.604 0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 136 4.138 -5.369 -1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 136 5.165 -6.778 2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.201 -5.383 2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 136 4.436 -5.179 2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.281 -7.653 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 136 5.061 -7.655 -1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 136 4.203 -7.893 0.488 1.00 0.00 H new ATOM 606 N ASN A 137 7.945 -3.705 0.938 1.00 0.00 N ATOM 607 CA ASN A 137 9.080 -3.287 1.753 1.00 0.00 C ATOM 608 C ASN A 137 9.184 -1.766 1.802 1.00 0.00 C ATOM 609 O ASN A 137 9.537 -1.191 2.832 1.00 0.00 O ATOM 610 CB ASN A 137 10.377 -3.881 1.201 1.00 0.00 C ATOM 611 CG ASN A 137 10.488 -5.371 1.462 1.00 0.00 C ATOM 612 OD1 ASN A 137 11.016 -6.104 0.488 1.00 0.00 O flip ATOM 613 ND2 ASN A 137 10.105 -5.856 2.526 1.00 0.00 N flip ATOM 0 H ASN A 137 8.195 -4.265 0.123 1.00 0.00 H new ATOM 0 HA ASN A 137 8.922 -3.655 2.767 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.429 -3.698 0.128 1.00 0.00 H new ATOM 0 HB3 ASN A 137 11.228 -3.371 1.653 1.00 0.00 H new ATOM 0 HD21 ASN A 137 9.706 -5.254 3.246 1.00 0.00 H new ATOM 0 HD22 ASN A 137 10.187 -6.860 2.688 1.00 0.00 H new ATOM 620 N ARG A 138 8.874 -1.121 0.683 1.00 0.00 N ATOM 621 CA ARG A 138 8.933 0.334 0.598 1.00 0.00 C ATOM 622 C ARG A 138 7.846 0.973 1.456 1.00 0.00 C ATOM 623 O ARG A 138 8.063 2.015 2.075 1.00 0.00 O ATOM 624 CB ARG A 138 8.784 0.787 -0.856 1.00 0.00 C ATOM 625 CG ARG A 138 10.095 0.808 -1.625 1.00 0.00 C ATOM 626 CD ARG A 138 10.981 1.963 -1.185 1.00 0.00 C ATOM 627 NE ARG A 138 12.391 1.712 -1.472 1.00 0.00 N ATOM 628 CZ ARG A 138 13.388 2.370 -0.892 1.00 0.00 C ATOM 629 NH1 ARG A 138 13.131 3.314 0.003 1.00 0.00 N ATOM 630 NH2 ARG A 138 14.645 2.085 -1.206 1.00 0.00 N ATOM 0 H ARG A 138 8.579 -1.582 -0.178 1.00 0.00 H new ATOM 0 HA ARG A 138 9.904 0.656 0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.085 0.123 -1.365 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.346 1.785 -0.874 1.00 0.00 H new ATOM 0 HG2 ARG A 138 10.622 -0.134 -1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 138 9.891 0.891 -2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 138 10.665 2.875 -1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 138 10.853 2.131 -0.116 1.00 0.00 H new ATOM 0 HE ARG A 138 12.623 0.991 -2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 138 12.166 3.536 0.247 1.00 0.00 H new ATOM 0 HH12 ARG A 138 13.898 3.818 0.447 1.00 0.00 H new ATOM 0 HH21 ARG A 138 14.847 1.359 -1.894 1.00 0.00 H new ATOM 0 HH22 ARG A 138 15.410 2.591 -0.760 1.00 0.00 H new ATOM 644 N ILE A 139 6.676 0.343 1.486 1.00 0.00 N ATOM 645 CA ILE A 139 5.556 0.850 2.268 1.00 0.00 C ATOM 646 C ILE A 139 5.822 0.712 3.763 1.00 0.00 C ATOM 647 O ILE A 139 5.649 1.664 4.524 1.00 0.00 O ATOM 648 CB ILE A 139 4.248 0.115 1.921 1.00 0.00 C ATOM 649 CG1 ILE A 139 3.851 0.393 0.469 1.00 0.00 C ATOM 650 CG2 ILE A 139 3.136 0.535 2.870 1.00 0.00 C ATOM 651 CD1 ILE A 139 2.948 -0.666 -0.124 1.00 0.00 C ATOM 0 H ILE A 139 6.480 -0.519 0.978 1.00 0.00 H new ATOM 0 HA ILE A 139 5.448 1.905 2.016 1.00 0.00 H new ATOM 0 HB ILE A 139 4.410 -0.957 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 139 3.348 1.359 0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 139 4.753 0.471 -0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 139 2.218 0.007 2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 139 3.420 0.290 3.894 1.00 0.00 H new ATOM 0 HG23 ILE A 139 2.972 1.609 2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 139 2.707 -0.404 -1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 139 3.456 -1.630 -0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 139 2.029 -0.728 0.459 1.00 0.00 H new ATOM 663 N GLN A 140 6.244 -0.478 4.176 1.00 0.00 N ATOM 664 CA GLN A 140 6.535 -0.740 5.581 1.00 0.00 C ATOM 665 C GLN A 140 7.553 0.259 6.121 1.00 0.00 C ATOM 666 O GLN A 140 7.494 0.651 7.287 1.00 0.00 O ATOM 667 CB GLN A 140 7.059 -2.166 5.758 1.00 0.00 C ATOM 668 CG GLN A 140 5.959 -3.210 5.867 1.00 0.00 C ATOM 669 CD GLN A 140 5.020 -2.948 7.028 1.00 0.00 C ATOM 670 OE1 GLN A 140 3.969 -2.177 6.778 1.00 0.00 O flip ATOM 671 NE2 GLN A 140 5.237 -3.434 8.139 1.00 0.00 N flip ATOM 0 H GLN A 140 6.392 -1.276 3.558 1.00 0.00 H new ATOM 0 HA GLN A 140 5.609 -0.628 6.145 1.00 0.00 H new ATOM 0 HB2 GLN A 140 7.702 -2.415 4.914 1.00 0.00 H new ATOM 0 HB3 GLN A 140 7.678 -2.208 6.654 1.00 0.00 H new ATOM 0 HG2 GLN A 140 5.387 -3.228 4.939 1.00 0.00 H new ATOM 0 HG3 GLN A 140 6.409 -4.196 5.984 1.00 0.00 H new ATOM 0 HE21 GLN A 140 6.058 -4.021 8.287 1.00 0.00 H new ATOM 0 HE22 GLN A 140 4.596 -3.249 8.911 1.00 0.00 H new ATOM 680 N ASP A 141 8.485 0.666 5.267 1.00 0.00 N ATOM 681 CA ASP A 141 9.516 1.620 5.659 1.00 0.00 C ATOM 682 C ASP A 141 8.897 2.957 6.056 1.00 0.00 C ATOM 683 O ASP A 141 9.412 3.657 6.929 1.00 0.00 O ATOM 684 CB ASP A 141 10.512 1.825 4.516 1.00 0.00 C ATOM 685 CG ASP A 141 11.656 0.830 4.560 1.00 0.00 C ATOM 686 OD1 ASP A 141 12.083 0.466 5.676 1.00 0.00 O ATOM 687 OD2 ASP A 141 12.122 0.415 3.479 1.00 0.00 O ATOM 0 H ASP A 141 8.548 0.351 4.299 1.00 0.00 H new ATOM 0 HA ASP A 141 10.043 1.213 6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 141 9.991 1.733 3.563 1.00 0.00 H new ATOM 0 HB3 ASP A 141 10.913 2.838 4.564 1.00 0.00 H new ATOM 692 N LEU A 142 7.791 3.306 5.409 1.00 0.00 N ATOM 693 CA LEU A 142 7.101 4.559 5.693 1.00 0.00 C ATOM 694 C LEU A 142 6.419 4.509 7.057 1.00 0.00 C ATOM 695 O LEU A 142 6.374 5.506 7.778 1.00 0.00 O ATOM 696 CB LEU A 142 6.068 4.855 4.604 1.00 0.00 C ATOM 697 CG LEU A 142 6.625 5.109 3.203 1.00 0.00 C ATOM 698 CD1 LEU A 142 5.539 4.922 2.155 1.00 0.00 C ATOM 699 CD2 LEU A 142 7.221 6.506 3.112 1.00 0.00 C ATOM 0 H LEU A 142 7.353 2.739 4.684 1.00 0.00 H new ATOM 0 HA LEU A 142 7.843 5.357 5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 142 5.375 4.016 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 142 5.490 5.728 4.907 1.00 0.00 H new ATOM 0 HG LEU A 142 7.416 4.384 3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 142 5.954 5.107 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 142 5.158 3.902 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 142 4.726 5.623 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 142 7.613 6.670 2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 142 6.449 7.245 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 142 8.029 6.605 3.837 1.00 0.00 H new ATOM 711 N LEU A 143 5.890 3.340 7.404 1.00 0.00 N ATOM 712 CA LEU A 143 5.212 3.158 8.683 1.00 0.00 C ATOM 713 C LEU A 143 6.181 3.346 9.846 1.00 0.00 C ATOM 714 O LEU A 143 5.802 3.832 10.912 1.00 0.00 O ATOM 715 CB LEU A 143 4.578 1.768 8.753 1.00 0.00 C ATOM 716 CG LEU A 143 3.238 1.604 8.035 1.00 0.00 C ATOM 717 CD1 LEU A 143 3.454 1.157 6.597 1.00 0.00 C ATOM 718 CD2 LEU A 143 2.353 0.612 8.776 1.00 0.00 C ATOM 0 H LEU A 143 5.918 2.505 6.818 1.00 0.00 H new ATOM 0 HA LEU A 143 4.429 3.913 8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 143 5.282 1.048 8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 143 4.440 1.506 9.802 1.00 0.00 H new ATOM 0 HG LEU A 143 2.734 2.571 8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 143 2.489 1.046 6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 143 4.049 1.903 6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 143 3.979 0.202 6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 143 1.404 0.508 8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 143 2.851 -0.357 8.821 1.00 0.00 H new ATOM 0 HD23 LEU A 143 2.170 0.973 9.788 1.00 0.00 H new ATOM 730 N THR A 144 7.436 2.961 9.632 1.00 0.00 N ATOM 731 CA THR A 144 8.460 3.088 10.661 1.00 0.00 C ATOM 732 C THR A 144 8.762 4.552 10.958 1.00 0.00 C ATOM 733 O THR A 144 8.981 4.929 12.109 1.00 0.00 O ATOM 734 CB THR A 144 9.764 2.380 10.246 1.00 0.00 C ATOM 735 OG1 THR A 144 9.515 0.988 10.022 1.00 0.00 O ATOM 736 CG2 THR A 144 10.832 2.544 11.317 1.00 0.00 C ATOM 0 H THR A 144 7.767 2.559 8.755 1.00 0.00 H new ATOM 0 HA THR A 144 8.067 2.612 11.559 1.00 0.00 H new ATOM 0 HB THR A 144 10.123 2.837 9.324 1.00 0.00 H new ATOM 0 HG1 THR A 144 10.348 0.545 9.757 1.00 0.00 H new ATOM 0 HG21 THR A 144 11.744 2.036 11.002 1.00 0.00 H new ATOM 0 HG22 THR A 144 11.040 3.604 11.465 1.00 0.00 H new ATOM 0 HG23 THR A 144 10.479 2.110 12.252 1.00 0.00 H new ATOM 744 N GLU A 145 8.772 5.374 9.913 1.00 0.00 N ATOM 745 CA GLU A 145 9.047 6.798 10.063 1.00 0.00 C ATOM 746 C GLU A 145 7.801 7.547 10.526 1.00 0.00 C ATOM 747 O GLU A 145 7.767 8.777 10.525 1.00 0.00 O ATOM 748 CB GLU A 145 9.549 7.385 8.742 1.00 0.00 C ATOM 749 CG GLU A 145 10.646 6.563 8.088 1.00 0.00 C ATOM 750 CD GLU A 145 11.565 7.401 7.220 1.00 0.00 C ATOM 751 OE1 GLU A 145 11.157 7.753 6.093 1.00 0.00 O ATOM 752 OE2 GLU A 145 12.690 7.704 7.667 1.00 0.00 O ATOM 0 H GLU A 145 8.593 5.078 8.954 1.00 0.00 H new ATOM 0 HA GLU A 145 9.822 6.915 10.821 1.00 0.00 H new ATOM 0 HB2 GLU A 145 8.711 7.472 8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 145 9.920 8.394 8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 145 11.234 6.068 8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 145 10.194 5.779 7.481 1.00 0.00 H new ATOM 759 N GLY A 146 6.777 6.796 10.919 1.00 0.00 N ATOM 760 CA GLY A 146 5.543 7.405 11.378 1.00 0.00 C ATOM 761 C GLY A 146 4.813 8.140 10.271 1.00 0.00 C ATOM 762 O GLY A 146 3.977 9.005 10.535 1.00 0.00 O ATOM 0 H GLY A 146 6.780 5.776 10.928 1.00 0.00 H new ATOM 0 HA2 GLY A 146 4.892 6.634 11.789 1.00 0.00 H new ATOM 0 HA3 GLY A 146 5.764 8.100 12.188 1.00 0.00 H new ATOM 766 N THR A 147 5.130 7.797 9.026 1.00 0.00 N ATOM 767 CA THR A 147 4.501 8.432 7.875 1.00 0.00 C ATOM 768 C THR A 147 3.124 7.836 7.603 1.00 0.00 C ATOM 769 O THR A 147 2.189 8.549 7.236 1.00 0.00 O ATOM 770 CB THR A 147 5.369 8.288 6.610 1.00 0.00 C ATOM 771 OG1 THR A 147 6.650 8.890 6.825 1.00 0.00 O ATOM 772 CG2 THR A 147 4.692 8.938 5.413 1.00 0.00 C ATOM 0 H THR A 147 5.819 7.083 8.790 1.00 0.00 H new ATOM 0 HA THR A 147 4.395 9.490 8.116 1.00 0.00 H new ATOM 0 HB THR A 147 5.497 7.226 6.402 1.00 0.00 H new ATOM 0 HG1 THR A 147 7.197 8.793 6.017 1.00 0.00 H new ATOM 0 HG21 THR A 147 5.323 8.824 4.532 1.00 0.00 H new ATOM 0 HG22 THR A 147 3.730 8.459 5.235 1.00 0.00 H new ATOM 0 HG23 THR A 147 4.538 9.998 5.614 1.00 0.00 H new ATOM 780 N LEU A 148 3.005 6.526 7.785 1.00 0.00 N ATOM 781 CA LEU A 148 1.741 5.833 7.559 1.00 0.00 C ATOM 782 C LEU A 148 1.434 4.873 8.705 1.00 0.00 C ATOM 783 O LEU A 148 2.341 4.296 9.306 1.00 0.00 O ATOM 784 CB LEU A 148 1.785 5.068 6.236 1.00 0.00 C ATOM 785 CG LEU A 148 1.862 5.922 4.969 1.00 0.00 C ATOM 786 CD1 LEU A 148 2.302 5.078 3.783 1.00 0.00 C ATOM 787 CD2 LEU A 148 0.521 6.582 4.689 1.00 0.00 C ATOM 0 H LEU A 148 3.768 5.922 8.089 1.00 0.00 H new ATOM 0 HA LEU A 148 0.949 6.580 7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 148 2.647 4.401 6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 148 0.897 4.439 6.173 1.00 0.00 H new ATOM 0 HG LEU A 148 2.604 6.705 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 148 2.351 5.702 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 148 3.286 4.653 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 148 1.585 4.273 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 148 0.594 7.185 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -0.241 5.814 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 148 0.247 7.220 5.529 1.00 0.00 H new ATOM 799 N THR A 149 0.149 4.706 9.001 1.00 0.00 N ATOM 800 CA THR A 149 -0.278 3.815 10.073 1.00 0.00 C ATOM 801 C THR A 149 -1.297 2.799 9.571 1.00 0.00 C ATOM 802 O THR A 149 -2.352 3.167 9.056 1.00 0.00 O ATOM 803 CB THR A 149 -0.890 4.602 11.247 1.00 0.00 C ATOM 804 OG1 THR A 149 0.013 5.630 11.672 1.00 0.00 O ATOM 805 CG2 THR A 149 -1.200 3.678 12.415 1.00 0.00 C ATOM 0 H THR A 149 -0.614 5.176 8.514 1.00 0.00 H new ATOM 0 HA THR A 149 0.612 3.291 10.421 1.00 0.00 H new ATOM 0 HB THR A 149 -1.821 5.055 10.906 1.00 0.00 H new ATOM 0 HG1 THR A 149 -0.384 6.127 12.417 1.00 0.00 H new ATOM 0 HG21 THR A 149 -1.631 4.256 13.232 1.00 0.00 H new ATOM 0 HG22 THR A 149 -1.910 2.915 12.097 1.00 0.00 H new ATOM 0 HG23 THR A 149 -0.281 3.200 12.754 1.00 0.00 H new ATOM 813 N GLY A 150 -0.975 1.518 9.724 1.00 0.00 N ATOM 814 CA GLY A 150 -1.874 0.469 9.281 1.00 0.00 C ATOM 815 C GLY A 150 -1.456 -0.901 9.778 1.00 0.00 C ATOM 816 O GLY A 150 -0.403 -1.049 10.398 1.00 0.00 O ATOM 0 H GLY A 150 -0.107 1.188 10.147 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -2.883 0.687 9.632 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.910 0.462 8.192 1.00 0.00 H new ATOM 820 N VAL A 151 -2.284 -1.905 9.507 1.00 0.00 N ATOM 821 CA VAL A 151 -1.995 -3.269 9.932 1.00 0.00 C ATOM 822 C VAL A 151 -2.041 -4.233 8.751 1.00 0.00 C ATOM 823 O VAL A 151 -2.849 -4.072 7.837 1.00 0.00 O ATOM 824 CB VAL A 151 -2.989 -3.745 11.008 1.00 0.00 C ATOM 825 CG1 VAL A 151 -2.864 -2.896 12.263 1.00 0.00 C ATOM 826 CG2 VAL A 151 -4.412 -3.710 10.470 1.00 0.00 C ATOM 0 H VAL A 151 -3.160 -1.799 8.995 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.990 -3.263 10.354 1.00 0.00 H new ATOM 0 HB VAL A 151 -2.749 -4.775 11.270 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -3.574 -3.247 13.012 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -1.851 -2.976 12.657 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -3.077 -1.855 12.021 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -5.102 -4.049 11.243 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -4.666 -2.691 10.179 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -4.489 -4.365 9.602 1.00 0.00 H new ATOM 836 N ILE A 152 -1.168 -5.235 8.779 1.00 0.00 N ATOM 837 CA ILE A 152 -1.110 -6.226 7.712 1.00 0.00 C ATOM 838 C ILE A 152 -1.593 -7.588 8.199 1.00 0.00 C ATOM 839 O ILE A 152 -0.977 -8.201 9.072 1.00 0.00 O ATOM 840 CB ILE A 152 0.318 -6.370 7.154 1.00 0.00 C ATOM 841 CG1 ILE A 152 0.781 -5.051 6.531 1.00 0.00 C ATOM 842 CG2 ILE A 152 0.376 -7.494 6.130 1.00 0.00 C ATOM 843 CD1 ILE A 152 2.279 -4.966 6.340 1.00 0.00 C ATOM 0 H ILE A 152 -0.492 -5.382 9.529 1.00 0.00 H new ATOM 0 HA ILE A 152 -1.768 -5.873 6.918 1.00 0.00 H new ATOM 0 HB ILE A 152 0.990 -6.618 7.976 1.00 0.00 H new ATOM 0 HG12 ILE A 152 0.292 -4.923 5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 152 0.456 -4.226 7.164 1.00 0.00 H new ATOM 0 HG21 ILE A 152 1.392 -7.583 5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 152 0.083 -8.432 6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 152 -0.305 -7.273 5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 152 2.535 -4.005 5.894 1.00 0.00 H new ATOM 0 HD12 ILE A 152 2.775 -5.062 7.306 1.00 0.00 H new ATOM 0 HD13 ILE A 152 2.608 -5.770 5.682 1.00 0.00 H new ATOM 855 N ASP A 153 -2.698 -8.057 7.629 1.00 0.00 N ATOM 856 CA ASP A 153 -3.262 -9.348 8.003 1.00 0.00 C ATOM 857 C ASP A 153 -2.459 -10.491 7.390 1.00 0.00 C ATOM 858 O ASP A 153 -1.501 -10.263 6.651 1.00 0.00 O ATOM 859 CB ASP A 153 -4.723 -9.438 7.558 1.00 0.00 C ATOM 860 CG ASP A 153 -5.616 -8.467 8.304 1.00 0.00 C ATOM 861 OD1 ASP A 153 -5.467 -8.351 9.539 1.00 0.00 O ATOM 862 OD2 ASP A 153 -6.465 -7.823 7.654 1.00 0.00 O ATOM 0 H ASP A 153 -3.220 -7.562 6.906 1.00 0.00 H new ATOM 0 HA ASP A 153 -3.214 -9.437 9.088 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -4.787 -9.238 6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -5.085 -10.454 7.714 1.00 0.00 H new ATOM 867 N ASP A 154 -2.855 -11.720 7.702 1.00 0.00 N ATOM 868 CA ASP A 154 -2.172 -12.899 7.181 1.00 0.00 C ATOM 869 C ASP A 154 -2.638 -13.215 5.764 1.00 0.00 C ATOM 870 O ASP A 154 -2.377 -14.298 5.241 1.00 0.00 O ATOM 871 CB ASP A 154 -2.420 -14.101 8.093 1.00 0.00 C ATOM 872 CG ASP A 154 -3.890 -14.298 8.407 1.00 0.00 C ATOM 873 OD1 ASP A 154 -4.427 -13.534 9.237 1.00 0.00 O ATOM 874 OD2 ASP A 154 -4.504 -15.214 7.821 1.00 0.00 O ATOM 0 H ASP A 154 -3.645 -11.926 8.313 1.00 0.00 H new ATOM 0 HA ASP A 154 -1.103 -12.688 7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -2.030 -15.001 7.617 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -1.868 -13.967 9.023 1.00 0.00 H new ATOM 879 N ARG A 155 -3.330 -12.262 5.147 1.00 0.00 N ATOM 880 CA ARG A 155 -3.835 -12.440 3.791 1.00 0.00 C ATOM 881 C ARG A 155 -2.872 -11.841 2.770 1.00 0.00 C ATOM 882 O ARG A 155 -3.117 -11.894 1.566 1.00 0.00 O ATOM 883 CB ARG A 155 -5.214 -11.794 3.648 1.00 0.00 C ATOM 884 CG ARG A 155 -6.059 -12.400 2.540 1.00 0.00 C ATOM 885 CD ARG A 155 -7.319 -11.586 2.291 1.00 0.00 C ATOM 886 NE ARG A 155 -7.786 -11.708 0.912 1.00 0.00 N ATOM 887 CZ ARG A 155 -8.439 -12.767 0.449 1.00 0.00 C ATOM 888 NH1 ARG A 155 -8.703 -13.790 1.250 1.00 0.00 N ATOM 889 NH2 ARG A 155 -8.832 -12.804 -0.818 1.00 0.00 N ATOM 0 H ARG A 155 -3.554 -11.359 5.565 1.00 0.00 H new ATOM 0 HA ARG A 155 -3.922 -13.510 3.600 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -5.749 -11.887 4.593 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -5.088 -10.728 3.456 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -5.473 -12.455 1.623 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -6.331 -13.421 2.806 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -8.105 -11.917 2.970 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -7.124 -10.538 2.516 1.00 0.00 H new ATOM 0 HE ARG A 155 -7.600 -10.937 0.270 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -8.404 -13.765 2.225 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -9.205 -14.602 0.891 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -8.632 -12.018 -1.437 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -9.334 -13.618 -1.173 1.00 0.00 H new ATOM 903 N GLY A 156 -1.776 -11.270 3.261 1.00 0.00 N ATOM 904 CA GLY A 156 -0.794 -10.669 2.379 1.00 0.00 C ATOM 905 C GLY A 156 -1.323 -9.433 1.678 1.00 0.00 C ATOM 906 O GLY A 156 -1.110 -9.250 0.480 1.00 0.00 O ATOM 0 H GLY A 156 -1.551 -11.213 4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 156 0.093 -10.405 2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -0.484 -11.401 1.633 1.00 0.00 H new ATOM 910 N LYS A 157 -2.018 -8.583 2.426 1.00 0.00 N ATOM 911 CA LYS A 157 -2.581 -7.358 1.871 1.00 0.00 C ATOM 912 C LYS A 157 -2.229 -6.155 2.740 1.00 0.00 C ATOM 913 O LYS A 157 -1.867 -6.304 3.908 1.00 0.00 O ATOM 914 CB LYS A 157 -4.101 -7.482 1.745 1.00 0.00 C ATOM 915 CG LYS A 157 -4.550 -8.209 0.489 1.00 0.00 C ATOM 916 CD LYS A 157 -6.060 -8.374 0.450 1.00 0.00 C ATOM 917 CE LYS A 157 -6.747 -7.098 -0.012 1.00 0.00 C ATOM 918 NZ LYS A 157 -8.158 -7.027 0.459 1.00 0.00 N ATOM 0 H LYS A 157 -2.205 -8.720 3.419 1.00 0.00 H new ATOM 0 HA LYS A 157 -2.152 -7.207 0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -4.488 -8.009 2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -4.540 -6.485 1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -4.221 -7.655 -0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -4.075 -9.189 0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -6.321 -9.193 -0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -6.423 -8.646 1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -6.196 -6.234 0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -6.724 -7.047 -1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -8.592 -6.143 0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -8.690 -7.838 0.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -8.179 -7.050 1.499 1.00 0.00 H new ATOM 932 N PHE A 158 -2.339 -4.962 2.164 1.00 0.00 N ATOM 933 CA PHE A 158 -2.033 -3.733 2.887 1.00 0.00 C ATOM 934 C PHE A 158 -3.312 -3.008 3.294 1.00 0.00 C ATOM 935 O PHE A 158 -4.137 -2.661 2.449 1.00 0.00 O ATOM 936 CB PHE A 158 -1.164 -2.813 2.026 1.00 0.00 C ATOM 937 CG PHE A 158 -0.854 -1.497 2.680 1.00 0.00 C ATOM 938 CD1 PHE A 158 -0.499 -1.440 4.019 1.00 0.00 C ATOM 939 CD2 PHE A 158 -0.916 -0.317 1.957 1.00 0.00 C ATOM 940 CE1 PHE A 158 -0.214 -0.230 4.623 1.00 0.00 C ATOM 941 CE2 PHE A 158 -0.632 0.896 2.556 1.00 0.00 C ATOM 942 CZ PHE A 158 -0.279 0.939 3.890 1.00 0.00 C ATOM 0 H PHE A 158 -2.638 -4.820 1.199 1.00 0.00 H new ATOM 0 HA PHE A 158 -1.485 -4.000 3.790 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -0.229 -3.323 1.793 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -1.671 -2.629 1.079 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.445 -2.351 4.596 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -1.190 -0.345 0.913 1.00 0.00 H new ATOM 0 HE1 PHE A 158 0.059 -0.198 5.667 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -0.686 1.809 1.981 1.00 0.00 H new ATOM 0 HZ PHE A 158 -0.054 1.885 4.360 1.00 0.00 H new ATOM 952 N ILE A 159 -3.470 -2.785 4.595 1.00 0.00 N ATOM 953 CA ILE A 159 -4.648 -2.102 5.114 1.00 0.00 C ATOM 954 C ILE A 159 -4.271 -0.778 5.771 1.00 0.00 C ATOM 955 O ILE A 159 -3.600 -0.754 6.803 1.00 0.00 O ATOM 956 CB ILE A 159 -5.399 -2.974 6.138 1.00 0.00 C ATOM 957 CG1 ILE A 159 -5.820 -4.299 5.500 1.00 0.00 C ATOM 958 CG2 ILE A 159 -6.612 -2.231 6.679 1.00 0.00 C ATOM 959 CD1 ILE A 159 -6.215 -5.356 6.508 1.00 0.00 C ATOM 0 H ILE A 159 -2.797 -3.067 5.308 1.00 0.00 H new ATOM 0 HA ILE A 159 -5.302 -1.910 4.263 1.00 0.00 H new ATOM 0 HB ILE A 159 -4.729 -3.190 6.970 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -6.658 -4.119 4.827 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -4.998 -4.677 4.892 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -7.132 -2.860 7.401 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -6.288 -1.311 7.166 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -7.286 -1.988 5.858 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -6.502 -6.268 5.985 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -5.371 -5.565 7.166 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -7.057 -4.997 7.100 1.00 0.00 H new ATOM 971 N TYR A 160 -4.708 0.321 5.166 1.00 0.00 N ATOM 972 CA TYR A 160 -4.416 1.650 5.691 1.00 0.00 C ATOM 973 C TYR A 160 -5.680 2.313 6.229 1.00 0.00 C ATOM 974 O TYR A 160 -6.743 2.242 5.610 1.00 0.00 O ATOM 975 CB TYR A 160 -3.790 2.525 4.604 1.00 0.00 C ATOM 976 CG TYR A 160 -3.370 3.892 5.094 1.00 0.00 C ATOM 977 CD1 TYR A 160 -2.135 4.084 5.702 1.00 0.00 C ATOM 978 CD2 TYR A 160 -4.206 4.992 4.948 1.00 0.00 C ATOM 979 CE1 TYR A 160 -1.747 5.331 6.152 1.00 0.00 C ATOM 980 CE2 TYR A 160 -3.826 6.243 5.394 1.00 0.00 C ATOM 981 CZ TYR A 160 -2.596 6.407 5.995 1.00 0.00 C ATOM 982 OH TYR A 160 -2.212 7.651 6.441 1.00 0.00 O ATOM 0 H TYR A 160 -5.266 0.318 4.312 1.00 0.00 H new ATOM 0 HA TYR A 160 -3.707 1.541 6.512 1.00 0.00 H new ATOM 0 HB2 TYR A 160 -2.920 2.013 4.193 1.00 0.00 H new ATOM 0 HB3 TYR A 160 -4.504 2.644 3.789 1.00 0.00 H new ATOM 0 HD1 TYR A 160 -1.467 3.244 5.825 1.00 0.00 H new ATOM 0 HD2 TYR A 160 -5.170 4.867 4.477 1.00 0.00 H new ATOM 0 HE1 TYR A 160 -0.785 5.463 6.624 1.00 0.00 H new ATOM 0 HE2 TYR A 160 -4.488 7.087 5.273 1.00 0.00 H new ATOM 0 HH TYR A 160 -2.923 8.299 6.254 1.00 0.00 H new ATOM 992 N ILE A 161 -5.557 2.958 7.384 1.00 0.00 N ATOM 993 CA ILE A 161 -6.688 3.636 8.005 1.00 0.00 C ATOM 994 C ILE A 161 -6.618 5.142 7.778 1.00 0.00 C ATOM 995 O ILE A 161 -5.654 5.798 8.174 1.00 0.00 O ATOM 996 CB ILE A 161 -6.749 3.358 9.518 1.00 0.00 C ATOM 997 CG1 ILE A 161 -6.854 1.854 9.779 1.00 0.00 C ATOM 998 CG2 ILE A 161 -7.924 4.094 10.145 1.00 0.00 C ATOM 999 CD1 ILE A 161 -6.610 1.473 11.223 1.00 0.00 C ATOM 0 H ILE A 161 -4.685 3.025 7.909 1.00 0.00 H new ATOM 0 HA ILE A 161 -7.589 3.242 7.535 1.00 0.00 H new ATOM 0 HB ILE A 161 -5.830 3.723 9.977 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -7.845 1.510 9.484 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -6.135 1.333 9.148 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -7.954 3.887 11.215 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -7.809 5.166 9.985 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -8.852 3.756 9.684 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.700 0.392 11.334 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.608 1.786 11.517 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -7.345 1.966 11.859 1.00 0.00 H new