USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 477 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 Single : A 94 LYS NZ :NH3+ -172:sc= -0.315 (180deg=-0.334) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.52 F(o=-3.1!,f=-1.5) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.255 USER MOD Single : A 107 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.32) USER MOD Single : A 109 MET CE :methyl 180:sc= -0.351 (180deg=-0.351) USER MOD Single : A 110 THR OG1 : rot 85:sc= 1.15 USER MOD Single : A 111 ASN : amide:sc= -1.8! C(o=-1.8!,f=-4.3!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.727 USER MOD Single : A 124 MET CE :methyl 139:sc= 0 (180deg=-0.0628) USER MOD Single : A 135 GLN : amide:sc= -2.2 X(o=-2.2,f=-1.8) USER MOD Single : A 137 ASN : amide:sc= -0.832 K(o=-0.83,f=-5!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0.057 USER MOD Single : A 143 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.51) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 178:sc= 0 (180deg=-0.00524) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 82 8.286 13.906 0.054 1.00 0.00 N ATOM 53 CA GLU A 82 7.229 13.173 0.735 1.00 0.00 C ATOM 54 C GLU A 82 5.951 13.169 -0.104 1.00 0.00 C ATOM 55 O GLU A 82 5.034 12.385 0.143 1.00 0.00 O ATOM 56 CB GLU A 82 6.957 13.833 2.093 1.00 0.00 C ATOM 57 CG GLU A 82 5.917 13.027 2.877 1.00 0.00 C ATOM 58 CD GLU A 82 5.770 13.592 4.288 1.00 0.00 C ATOM 59 OE1 GLU A 82 6.252 14.689 4.526 1.00 0.00 O ATOM 60 OE2 GLU A 82 5.175 12.917 5.112 1.00 0.00 O ATOM 0 HA GLU A 82 7.547 12.141 0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.883 13.899 2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.601 14.852 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.957 13.059 2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.218 11.980 2.925 1.00 0.00 H new ATOM 67 N GLU A 83 5.900 14.053 -1.096 1.00 0.00 N ATOM 68 CA GLU A 83 4.734 14.164 -1.964 1.00 0.00 C ATOM 69 C GLU A 83 4.527 12.898 -2.802 1.00 0.00 C ATOM 70 O GLU A 83 3.435 12.328 -2.795 1.00 0.00 O ATOM 71 CB GLU A 83 4.902 15.388 -2.871 1.00 0.00 C ATOM 72 CG GLU A 83 6.045 15.153 -3.860 1.00 0.00 C ATOM 73 CD GLU A 83 6.509 16.475 -4.463 1.00 0.00 C ATOM 74 OE1 GLU A 83 5.853 17.476 -4.230 1.00 0.00 O ATOM 75 OE2 GLU A 83 7.514 16.462 -5.155 1.00 0.00 O ATOM 0 H GLU A 83 6.654 14.703 -1.318 1.00 0.00 H new ATOM 0 HA GLU A 83 3.847 14.283 -1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.975 15.580 -3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.108 16.272 -2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.878 14.665 -3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.716 14.481 -4.652 1.00 0.00 H new ATOM 82 N GLU A 84 5.561 12.444 -3.515 1.00 0.00 N ATOM 83 CA GLU A 84 5.419 11.236 -4.325 1.00 0.00 C ATOM 84 C GLU A 84 4.766 10.149 -3.485 1.00 0.00 C ATOM 85 O GLU A 84 3.791 9.526 -3.903 1.00 0.00 O ATOM 86 CB GLU A 84 6.788 10.748 -4.817 1.00 0.00 C ATOM 87 CG GLU A 84 6.601 9.511 -5.707 1.00 0.00 C ATOM 88 CD GLU A 84 7.941 9.057 -6.283 1.00 0.00 C ATOM 89 OE1 GLU A 84 8.960 9.528 -5.810 1.00 0.00 O ATOM 90 OE2 GLU A 84 7.924 8.243 -7.193 1.00 0.00 O ATOM 0 H GLU A 84 6.482 12.882 -3.548 1.00 0.00 H new ATOM 0 HA GLU A 84 4.800 11.464 -5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.289 11.539 -5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.426 10.505 -3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.156 8.703 -5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.909 9.740 -6.518 1.00 0.00 H new ATOM 97 N ILE A 85 5.293 9.948 -2.285 1.00 0.00 N ATOM 98 CA ILE A 85 4.740 8.947 -1.376 1.00 0.00 C ATOM 99 C ILE A 85 3.244 9.201 -1.199 1.00 0.00 C ATOM 100 O ILE A 85 2.424 8.302 -1.369 1.00 0.00 O ATOM 101 CB ILE A 85 5.437 9.047 -0.007 1.00 0.00 C ATOM 102 CG1 ILE A 85 6.927 8.716 -0.153 1.00 0.00 C ATOM 103 CG2 ILE A 85 4.813 8.063 0.983 1.00 0.00 C ATOM 104 CD1 ILE A 85 7.625 8.928 1.192 1.00 0.00 C ATOM 0 H ILE A 85 6.096 10.459 -1.918 1.00 0.00 H new ATOM 0 HA ILE A 85 4.901 7.952 -1.792 1.00 0.00 H new ATOM 0 HB ILE A 85 5.315 10.065 0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 85 7.052 7.684 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.380 9.351 -0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.317 8.146 1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.755 8.293 1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.922 7.047 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.685 8.694 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.510 9.967 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.178 8.275 1.941 1.00 0.00 H new ATOM 116 N ARG A 86 2.902 10.439 -0.851 1.00 0.00 N ATOM 117 CA ARG A 86 1.508 10.810 -0.645 1.00 0.00 C ATOM 118 C ARG A 86 0.676 10.506 -1.895 1.00 0.00 C ATOM 119 O ARG A 86 -0.462 10.044 -1.800 1.00 0.00 O ATOM 120 CB ARG A 86 1.429 12.305 -0.291 1.00 0.00 C ATOM 121 CG ARG A 86 1.977 12.518 1.126 1.00 0.00 C ATOM 122 CD ARG A 86 2.024 14.014 1.461 1.00 0.00 C ATOM 123 NE ARG A 86 0.681 14.582 1.445 1.00 0.00 N ATOM 124 CZ ARG A 86 0.468 15.862 1.148 1.00 0.00 C ATOM 125 NH1 ARG A 86 1.468 16.635 0.799 1.00 0.00 N ATOM 126 NH2 ARG A 86 -0.742 16.345 1.195 1.00 0.00 N ATOM 0 H ARG A 86 3.568 11.198 -0.707 1.00 0.00 H new ATOM 0 HA ARG A 86 1.098 10.223 0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.004 12.891 -1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.397 12.651 -0.350 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.349 11.997 1.848 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.976 12.089 1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.475 14.159 2.443 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.654 14.535 0.740 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.115 13.984 1.667 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.414 16.256 0.754 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.300 17.615 0.572 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.522 15.743 1.459 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.909 17.325 0.968 1.00 0.00 H new ATOM 140 N GLU A 87 1.256 10.745 -3.066 1.00 0.00 N ATOM 141 CA GLU A 87 0.564 10.486 -4.326 1.00 0.00 C ATOM 142 C GLU A 87 0.508 8.987 -4.634 1.00 0.00 C ATOM 143 O GLU A 87 -0.561 8.383 -4.619 1.00 0.00 O ATOM 144 CB GLU A 87 1.275 11.222 -5.465 1.00 0.00 C ATOM 145 CG GLU A 87 1.103 12.733 -5.286 1.00 0.00 C ATOM 146 CD GLU A 87 1.925 13.484 -6.330 1.00 0.00 C ATOM 147 OE1 GLU A 87 2.562 12.828 -7.137 1.00 0.00 O ATOM 148 OE2 GLU A 87 1.908 14.703 -6.304 1.00 0.00 O ATOM 0 H GLU A 87 2.200 11.116 -3.170 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.459 10.850 -4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.334 10.965 -5.473 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.864 10.910 -6.425 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.050 13.000 -5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.418 13.026 -4.285 1.00 0.00 H new ATOM 155 N ALA A 88 1.667 8.405 -4.926 1.00 0.00 N ATOM 156 CA ALA A 88 1.763 6.982 -5.263 1.00 0.00 C ATOM 157 C ALA A 88 0.772 6.152 -4.445 1.00 0.00 C ATOM 158 O ALA A 88 -0.018 5.387 -5.004 1.00 0.00 O ATOM 159 CB ALA A 88 3.192 6.498 -5.004 1.00 0.00 C ATOM 0 H ALA A 88 2.560 8.898 -4.937 1.00 0.00 H new ATOM 0 HA ALA A 88 1.515 6.855 -6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.268 5.440 -5.253 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.887 7.067 -5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.440 6.642 -3.952 1.00 0.00 H new ATOM 165 N PHE A 89 0.810 6.315 -3.126 1.00 0.00 N ATOM 166 CA PHE A 89 -0.097 5.580 -2.257 1.00 0.00 C ATOM 167 C PHE A 89 -1.555 6.021 -2.468 1.00 0.00 C ATOM 168 O PHE A 89 -2.472 5.195 -2.471 1.00 0.00 O ATOM 169 CB PHE A 89 0.315 5.769 -0.798 1.00 0.00 C ATOM 170 CG PHE A 89 1.454 4.819 -0.463 1.00 0.00 C ATOM 171 CD1 PHE A 89 1.245 3.433 -0.500 1.00 0.00 C ATOM 172 CD2 PHE A 89 2.715 5.319 -0.124 1.00 0.00 C ATOM 173 CE1 PHE A 89 2.286 2.554 -0.198 1.00 0.00 C ATOM 174 CE2 PHE A 89 3.758 4.433 0.180 1.00 0.00 C ATOM 175 CZ PHE A 89 3.543 3.054 0.144 1.00 0.00 C ATOM 0 H PHE A 89 1.452 6.942 -2.642 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.033 4.522 -2.512 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.626 6.800 -0.628 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.535 5.580 -0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.273 3.043 -0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.885 6.385 -0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.119 1.487 -0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.732 4.819 0.443 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.349 2.375 0.381 1.00 0.00 H new ATOM 185 N ARG A 90 -1.777 7.322 -2.649 1.00 0.00 N ATOM 186 CA ARG A 90 -3.136 7.813 -2.879 1.00 0.00 C ATOM 187 C ARG A 90 -3.687 7.221 -4.183 1.00 0.00 C ATOM 188 O ARG A 90 -4.802 6.701 -4.224 1.00 0.00 O ATOM 189 CB ARG A 90 -3.136 9.346 -2.951 1.00 0.00 C ATOM 190 CG ARG A 90 -3.350 9.929 -1.543 1.00 0.00 C ATOM 191 CD ARG A 90 -3.331 11.447 -1.608 1.00 0.00 C ATOM 192 NE ARG A 90 -3.499 12.018 -0.273 1.00 0.00 N ATOM 193 CZ ARG A 90 -3.601 13.335 -0.082 1.00 0.00 C ATOM 194 NH1 ARG A 90 -3.557 14.151 -1.100 1.00 0.00 N ATOM 195 NH2 ARG A 90 -3.739 13.812 1.129 1.00 0.00 N ATOM 0 H ARG A 90 -1.053 8.041 -2.642 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.774 7.502 -2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.191 9.701 -3.363 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.924 9.689 -3.621 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.301 9.585 -1.137 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.569 9.575 -0.870 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.390 11.787 -2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.128 11.799 -2.264 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.539 11.394 0.533 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.444 13.783 -2.044 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.635 15.157 -0.951 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.769 13.177 1.927 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.817 14.819 1.275 1.00 0.00 H new ATOM 209 N VAL A 91 -2.884 7.298 -5.239 1.00 0.00 N ATOM 210 CA VAL A 91 -3.282 6.771 -6.541 1.00 0.00 C ATOM 211 C VAL A 91 -3.476 5.262 -6.459 1.00 0.00 C ATOM 212 O VAL A 91 -4.211 4.673 -7.252 1.00 0.00 O ATOM 213 CB VAL A 91 -2.206 7.105 -7.584 1.00 0.00 C ATOM 214 CG1 VAL A 91 -2.641 6.605 -8.963 1.00 0.00 C ATOM 215 CG2 VAL A 91 -2.000 8.621 -7.640 1.00 0.00 C ATOM 0 H VAL A 91 -1.955 7.719 -5.220 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.225 7.230 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.274 6.616 -7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.872 6.846 -9.697 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.785 5.525 -8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.577 7.087 -9.246 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.236 8.857 -8.381 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.936 9.105 -7.917 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.681 8.981 -6.662 1.00 0.00 H new ATOM 225 N PHE A 92 -2.810 4.643 -5.487 1.00 0.00 N ATOM 226 CA PHE A 92 -2.915 3.196 -5.303 1.00 0.00 C ATOM 227 C PHE A 92 -4.340 2.790 -4.945 1.00 0.00 C ATOM 228 O PHE A 92 -4.911 1.906 -5.578 1.00 0.00 O ATOM 229 CB PHE A 92 -1.931 2.754 -4.201 1.00 0.00 C ATOM 230 CG PHE A 92 -0.782 1.978 -4.792 1.00 0.00 C ATOM 231 CD1 PHE A 92 -0.084 2.495 -5.889 1.00 0.00 C ATOM 232 CD2 PHE A 92 -0.429 0.740 -4.254 1.00 0.00 C ATOM 233 CE1 PHE A 92 0.974 1.772 -6.444 1.00 0.00 C ATOM 234 CE2 PHE A 92 0.623 0.014 -4.811 1.00 0.00 C ATOM 235 CZ PHE A 92 1.326 0.529 -5.907 1.00 0.00 C ATOM 0 H PHE A 92 -2.198 5.114 -4.821 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.659 2.700 -6.239 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.552 3.629 -3.673 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.452 2.139 -3.467 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.363 3.451 -6.306 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.970 0.345 -3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.519 2.172 -7.286 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.896 -0.946 -4.397 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.141 -0.034 -6.338 1.00 0.00 H new ATOM 245 N ASP A 93 -4.914 3.437 -3.935 1.00 0.00 N ATOM 246 CA ASP A 93 -6.277 3.115 -3.525 1.00 0.00 C ATOM 247 C ASP A 93 -7.193 3.166 -4.741 1.00 0.00 C ATOM 248 O ASP A 93 -7.764 4.208 -5.052 1.00 0.00 O ATOM 249 CB ASP A 93 -6.751 4.114 -2.461 1.00 0.00 C ATOM 250 CG ASP A 93 -7.908 3.523 -1.656 1.00 0.00 C ATOM 251 OD1 ASP A 93 -8.454 2.518 -2.087 1.00 0.00 O ATOM 252 OD2 ASP A 93 -8.229 4.081 -0.623 1.00 0.00 O ATOM 0 H ASP A 93 -4.466 4.176 -3.393 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.303 2.113 -3.098 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.926 4.364 -1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.068 5.041 -2.939 1.00 0.00 H new ATOM 257 N LYS A 94 -7.310 2.032 -5.435 1.00 0.00 N ATOM 258 CA LYS A 94 -8.144 1.957 -6.633 1.00 0.00 C ATOM 259 C LYS A 94 -9.567 2.403 -6.314 1.00 0.00 C ATOM 260 O LYS A 94 -10.081 3.358 -6.900 1.00 0.00 O ATOM 261 CB LYS A 94 -8.176 0.514 -7.141 1.00 0.00 C ATOM 262 CG LYS A 94 -6.797 0.122 -7.683 1.00 0.00 C ATOM 263 CD LYS A 94 -6.775 -1.377 -8.027 1.00 0.00 C ATOM 264 CE LYS A 94 -7.483 -1.627 -9.361 1.00 0.00 C ATOM 265 NZ LYS A 94 -7.268 -3.040 -9.777 1.00 0.00 N ATOM 0 H LYS A 94 -6.841 1.160 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.724 2.613 -7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.464 -0.159 -6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.927 0.411 -7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.565 0.711 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.029 0.345 -6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.745 -1.729 -8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.264 -1.946 -7.236 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.549 -1.423 -9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.097 -0.949 -10.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.630 -3.177 -10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.251 -3.258 -9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.772 -3.674 -9.125 1.00 0.00 H new ATOM 279 N ASP A 95 -10.183 1.709 -5.366 1.00 0.00 N ATOM 280 CA ASP A 95 -11.541 2.021 -4.937 1.00 0.00 C ATOM 281 C ASP A 95 -11.577 3.355 -4.197 1.00 0.00 C ATOM 282 O ASP A 95 -12.464 3.585 -3.376 1.00 0.00 O ATOM 283 CB ASP A 95 -12.045 0.908 -4.014 1.00 0.00 C ATOM 284 CG ASP A 95 -12.301 -0.362 -4.817 1.00 0.00 C ATOM 285 OD1 ASP A 95 -12.261 -0.287 -6.035 1.00 0.00 O ATOM 286 OD2 ASP A 95 -12.530 -1.390 -4.202 1.00 0.00 O ATOM 0 H ASP A 95 -9.760 0.920 -4.876 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.182 2.095 -5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.310 0.712 -3.233 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -12.962 1.224 -3.517 1.00 0.00 H new ATOM 291 N GLY A 96 -10.617 4.231 -4.515 1.00 0.00 N ATOM 292 CA GLY A 96 -10.534 5.555 -3.900 1.00 0.00 C ATOM 293 C GLY A 96 -11.077 5.560 -2.470 1.00 0.00 C ATOM 294 O GLY A 96 -11.704 6.529 -2.042 1.00 0.00 O ATOM 0 H GLY A 96 -9.884 4.042 -5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.496 5.887 -3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.094 6.270 -4.503 1.00 0.00 H new ATOM 298 N ASN A 97 -10.850 4.467 -1.740 1.00 0.00 N ATOM 299 CA ASN A 97 -11.350 4.371 -0.369 1.00 0.00 C ATOM 300 C ASN A 97 -10.572 5.307 0.569 1.00 0.00 C ATOM 301 O ASN A 97 -10.903 5.423 1.748 1.00 0.00 O ATOM 302 CB ASN A 97 -11.248 2.926 0.147 1.00 0.00 C ATOM 303 CG ASN A 97 -12.108 1.985 -0.697 1.00 0.00 C ATOM 304 OD1 ASN A 97 -13.209 2.429 -1.245 1.00 0.00 O flip ATOM 305 ND2 ASN A 97 -11.771 0.813 -0.855 1.00 0.00 N flip ATOM 0 H ASN A 97 -10.333 3.651 -2.067 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.397 4.674 -0.379 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.209 2.598 0.120 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.569 2.883 1.188 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.912 0.467 -0.427 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.350 0.187 -1.414 1.00 0.00 H new ATOM 312 N GLY A 98 -9.548 5.976 0.036 1.00 0.00 N ATOM 313 CA GLY A 98 -8.743 6.907 0.839 1.00 0.00 C ATOM 314 C GLY A 98 -7.695 6.170 1.667 1.00 0.00 C ATOM 315 O GLY A 98 -6.869 6.792 2.335 1.00 0.00 O ATOM 0 H GLY A 98 -9.256 5.894 -0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.251 7.624 0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.396 7.477 1.500 1.00 0.00 H new ATOM 319 N TYR A 99 -7.731 4.848 1.611 1.00 0.00 N ATOM 320 CA TYR A 99 -6.776 4.025 2.343 1.00 0.00 C ATOM 321 C TYR A 99 -6.458 2.778 1.525 1.00 0.00 C ATOM 322 O TYR A 99 -7.279 2.325 0.726 1.00 0.00 O ATOM 323 CB TYR A 99 -7.350 3.655 3.699 1.00 0.00 C ATOM 324 CG TYR A 99 -7.709 4.912 4.463 1.00 0.00 C ATOM 325 CD1 TYR A 99 -6.728 5.603 5.183 1.00 0.00 C ATOM 326 CD2 TYR A 99 -9.027 5.389 4.449 1.00 0.00 C ATOM 327 CE1 TYR A 99 -7.061 6.767 5.888 1.00 0.00 C ATOM 328 CE2 TYR A 99 -9.361 6.551 5.155 1.00 0.00 C ATOM 329 CZ TYR A 99 -8.379 7.240 5.874 1.00 0.00 C ATOM 330 OH TYR A 99 -8.708 8.386 6.566 1.00 0.00 O ATOM 0 H TYR A 99 -8.412 4.319 1.066 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.853 4.581 2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -8.234 3.030 3.572 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -6.625 3.069 4.264 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -5.712 5.238 5.195 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -9.786 4.859 3.893 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.302 7.299 6.442 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -10.378 6.916 5.144 1.00 0.00 H new ATOM 0 HH TYR A 99 -9.663 8.575 6.451 1.00 0.00 H new ATOM 340 N ILE A 100 -5.248 2.257 1.681 1.00 0.00 N ATOM 341 CA ILE A 100 -4.819 1.104 0.892 1.00 0.00 C ATOM 342 C ILE A 100 -5.315 -0.236 1.434 1.00 0.00 C ATOM 343 O ILE A 100 -5.057 -0.577 2.591 1.00 0.00 O ATOM 344 CB ILE A 100 -3.283 1.056 0.858 1.00 0.00 C ATOM 345 CG1 ILE A 100 -2.750 2.213 0.017 1.00 0.00 C ATOM 346 CG2 ILE A 100 -2.804 -0.267 0.244 1.00 0.00 C ATOM 347 CD1 ILE A 100 -3.200 3.551 0.577 1.00 0.00 C ATOM 0 H ILE A 100 -4.551 2.608 2.338 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.252 1.239 -0.099 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.911 1.136 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.661 2.175 -0.010 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.098 2.110 -1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.714 -0.287 0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.172 -1.100 0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.185 -0.355 -0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.805 4.356 -0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.289 3.596 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.829 3.662 1.596 1.00 0.00 H new ATOM 359 N SER A 101 -5.980 -1.019 0.562 1.00 0.00 N ATOM 360 CA SER A 101 -6.455 -2.352 0.937 1.00 0.00 C ATOM 361 C SER A 101 -5.594 -3.410 0.248 1.00 0.00 C ATOM 362 O SER A 101 -4.924 -3.126 -0.742 1.00 0.00 O ATOM 363 CB SER A 101 -7.911 -2.548 0.526 1.00 0.00 C ATOM 364 OG SER A 101 -8.246 -3.922 0.676 1.00 0.00 O ATOM 0 H SER A 101 -6.196 -0.748 -0.398 1.00 0.00 H new ATOM 0 HA SER A 101 -6.381 -2.452 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.564 -1.930 1.142 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.058 -2.234 -0.507 1.00 0.00 H new ATOM 0 HG SER A 101 -9.181 -4.061 0.416 1.00 0.00 H new ATOM 370 N ALA A 102 -5.597 -4.610 0.801 1.00 0.00 N ATOM 371 CA ALA A 102 -4.795 -5.711 0.266 1.00 0.00 C ATOM 372 C ALA A 102 -5.207 -6.104 -1.144 1.00 0.00 C ATOM 373 O ALA A 102 -4.357 -6.420 -1.979 1.00 0.00 O ATOM 374 CB ALA A 102 -4.909 -6.928 1.210 1.00 0.00 C ATOM 0 H ALA A 102 -6.147 -4.854 1.625 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.761 -5.370 0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.313 -7.751 0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.542 -6.656 2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.952 -7.237 1.281 1.00 0.00 H new ATOM 380 N ALA A 103 -6.506 -6.104 -1.401 1.00 0.00 N ATOM 381 CA ALA A 103 -7.013 -6.485 -2.710 1.00 0.00 C ATOM 382 C ALA A 103 -6.455 -5.583 -3.813 1.00 0.00 C ATOM 383 O ALA A 103 -6.214 -6.035 -4.935 1.00 0.00 O ATOM 384 CB ALA A 103 -8.543 -6.420 -2.697 1.00 0.00 C ATOM 0 H ALA A 103 -7.225 -5.846 -0.725 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.687 -7.503 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.928 -6.705 -3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.930 -7.105 -1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.862 -5.404 -2.463 1.00 0.00 H new ATOM 390 N GLU A 104 -6.267 -4.310 -3.496 1.00 0.00 N ATOM 391 CA GLU A 104 -5.757 -3.355 -4.475 1.00 0.00 C ATOM 392 C GLU A 104 -4.286 -3.634 -4.793 1.00 0.00 C ATOM 393 O GLU A 104 -3.851 -3.447 -5.927 1.00 0.00 O ATOM 394 CB GLU A 104 -5.892 -1.932 -3.925 1.00 0.00 C ATOM 395 CG GLU A 104 -7.337 -1.697 -3.482 1.00 0.00 C ATOM 396 CD GLU A 104 -7.468 -0.340 -2.791 1.00 0.00 C ATOM 397 OE1 GLU A 104 -6.594 -0.008 -2.006 1.00 0.00 O ATOM 398 OE2 GLU A 104 -8.444 0.348 -3.054 1.00 0.00 O ATOM 0 H GLU A 104 -6.458 -3.914 -2.575 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.340 -3.458 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.214 -1.789 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.611 -1.206 -4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.000 -1.738 -4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.649 -2.490 -2.803 1.00 0.00 H new ATOM 405 N LEU A 105 -3.526 -4.071 -3.784 1.00 0.00 N ATOM 406 CA LEU A 105 -2.105 -4.344 -3.981 1.00 0.00 C ATOM 407 C LEU A 105 -1.891 -5.480 -4.982 1.00 0.00 C ATOM 408 O LEU A 105 -1.160 -5.336 -5.958 1.00 0.00 O ATOM 409 CB LEU A 105 -1.464 -4.724 -2.645 1.00 0.00 C ATOM 410 CG LEU A 105 -1.651 -3.587 -1.630 1.00 0.00 C ATOM 411 CD1 LEU A 105 -1.007 -3.979 -0.297 1.00 0.00 C ATOM 412 CD2 LEU A 105 -1.000 -2.299 -2.156 1.00 0.00 C ATOM 0 H LEU A 105 -3.867 -4.240 -2.838 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.640 -3.441 -4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.914 -5.640 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.402 -4.926 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.717 -3.413 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.140 -3.171 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.479 -4.885 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.057 -4.160 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.138 -1.499 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.065 -2.467 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.465 -2.016 -3.100 1.00 0.00 H new ATOM 424 N ARG A 106 -2.529 -6.611 -4.743 1.00 0.00 N ATOM 425 CA ARG A 106 -2.378 -7.745 -5.650 1.00 0.00 C ATOM 426 C ARG A 106 -2.875 -7.389 -7.046 1.00 0.00 C ATOM 427 O ARG A 106 -2.205 -7.674 -8.040 1.00 0.00 O ATOM 428 CB ARG A 106 -3.139 -8.964 -5.103 1.00 0.00 C ATOM 429 CG ARG A 106 -4.633 -8.652 -4.960 1.00 0.00 C ATOM 430 CD ARG A 106 -5.329 -9.815 -4.251 1.00 0.00 C ATOM 431 NE ARG A 106 -6.764 -9.583 -4.194 1.00 0.00 N ATOM 432 CZ ARG A 106 -7.566 -10.321 -3.422 1.00 0.00 C ATOM 433 NH1 ARG A 106 -7.073 -11.251 -2.649 1.00 0.00 N ATOM 434 NH2 ARG A 106 -8.854 -10.096 -3.437 1.00 0.00 N ATOM 0 H ARG A 106 -3.146 -6.773 -3.947 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.319 -7.994 -5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.003 -9.814 -5.772 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.728 -9.251 -4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.771 -7.731 -4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -5.078 -8.492 -5.942 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -5.125 -10.747 -4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.931 -9.926 -3.242 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.169 -8.836 -4.759 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -6.067 -11.419 -2.631 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.694 -11.809 -2.063 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.237 -9.363 -4.034 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.476 -10.653 -2.852 1.00 0.00 H new ATOM 448 N HIS A 107 -4.055 -6.775 -7.121 1.00 0.00 N ATOM 449 CA HIS A 107 -4.625 -6.404 -8.408 1.00 0.00 C ATOM 450 C HIS A 107 -3.757 -5.371 -9.126 1.00 0.00 C ATOM 451 O HIS A 107 -3.389 -5.556 -10.286 1.00 0.00 O ATOM 452 CB HIS A 107 -6.029 -5.819 -8.202 1.00 0.00 C ATOM 453 CG HIS A 107 -7.010 -6.908 -7.848 1.00 0.00 C ATOM 454 ND1 HIS A 107 -6.940 -8.184 -8.390 1.00 0.00 N ATOM 455 CD2 HIS A 107 -8.111 -6.912 -7.029 1.00 0.00 C ATOM 456 CE1 HIS A 107 -7.977 -8.891 -7.896 1.00 0.00 C ATOM 457 NE2 HIS A 107 -8.720 -8.163 -7.062 1.00 0.00 N ATOM 0 H HIS A 107 -4.627 -6.528 -6.313 1.00 0.00 H new ATOM 0 HA HIS A 107 -4.675 -7.303 -9.023 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.005 -5.072 -7.409 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -6.354 -5.310 -9.110 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.454 -6.070 -6.446 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -8.181 -9.922 -8.146 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -9.555 -8.459 -6.557 1.00 0.00 H new ATOM 466 N VAL A 108 -3.440 -4.279 -8.436 1.00 0.00 N ATOM 467 CA VAL A 108 -2.624 -3.233 -9.042 1.00 0.00 C ATOM 468 C VAL A 108 -1.243 -3.771 -9.396 1.00 0.00 C ATOM 469 O VAL A 108 -0.764 -3.568 -10.503 1.00 0.00 O ATOM 470 CB VAL A 108 -2.519 -2.017 -8.103 1.00 0.00 C ATOM 471 CG1 VAL A 108 -1.461 -2.264 -7.030 1.00 0.00 C ATOM 472 CG2 VAL A 108 -2.127 -0.776 -8.904 1.00 0.00 C ATOM 0 H VAL A 108 -3.729 -4.097 -7.475 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.106 -2.907 -9.964 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.488 -1.864 -7.629 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.398 -1.396 -6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.734 -3.142 -6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.494 -2.431 -7.504 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.054 0.081 -8.235 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.164 -0.943 -9.386 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.883 -0.580 -9.664 1.00 0.00 H new ATOM 482 N MET A 109 -0.604 -4.456 -8.452 1.00 0.00 N ATOM 483 CA MET A 109 0.725 -4.997 -8.695 1.00 0.00 C ATOM 484 C MET A 109 0.696 -5.895 -9.927 1.00 0.00 C ATOM 485 O MET A 109 1.519 -5.750 -10.833 1.00 0.00 O ATOM 486 CB MET A 109 1.177 -5.804 -7.475 1.00 0.00 C ATOM 487 CG MET A 109 1.429 -4.869 -6.282 1.00 0.00 C ATOM 488 SD MET A 109 1.201 -5.774 -4.737 1.00 0.00 S ATOM 489 CE MET A 109 2.110 -4.627 -3.668 1.00 0.00 C ATOM 0 H MET A 109 -0.981 -4.647 -7.524 1.00 0.00 H new ATOM 0 HA MET A 109 1.425 -4.179 -8.866 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.416 -6.540 -7.215 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.087 -6.356 -7.712 1.00 0.00 H new ATOM 0 HG2 MET A 109 2.440 -4.465 -6.332 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.745 -4.021 -6.322 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.097 -4.997 -2.643 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.141 -4.548 -4.012 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.639 -3.645 -3.705 1.00 0.00 H new ATOM 499 N THR A 110 -0.271 -6.803 -9.970 1.00 0.00 N ATOM 500 CA THR A 110 -0.410 -7.698 -11.114 1.00 0.00 C ATOM 501 C THR A 110 -0.722 -6.893 -12.371 1.00 0.00 C ATOM 502 O THR A 110 -0.154 -7.129 -13.436 1.00 0.00 O ATOM 503 CB THR A 110 -1.527 -8.717 -10.854 1.00 0.00 C ATOM 504 OG1 THR A 110 -1.177 -9.516 -9.737 1.00 0.00 O ATOM 505 CG2 THR A 110 -1.713 -9.612 -12.084 1.00 0.00 C ATOM 0 H THR A 110 -0.965 -6.939 -9.235 1.00 0.00 H new ATOM 0 HA THR A 110 0.529 -8.233 -11.259 1.00 0.00 H new ATOM 0 HB THR A 110 -2.459 -8.189 -10.653 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.449 -9.062 -8.912 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.508 -10.333 -11.892 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.980 -8.998 -12.944 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.784 -10.143 -12.292 1.00 0.00 H new ATOM 513 N ASN A 111 -1.640 -5.939 -12.238 1.00 0.00 N ATOM 514 CA ASN A 111 -2.032 -5.097 -13.365 1.00 0.00 C ATOM 515 C ASN A 111 -0.826 -4.314 -13.872 1.00 0.00 C ATOM 516 O ASN A 111 -0.626 -4.159 -15.075 1.00 0.00 O ATOM 517 CB ASN A 111 -3.129 -4.128 -12.931 1.00 0.00 C ATOM 518 CG ASN A 111 -3.621 -3.309 -14.123 1.00 0.00 C ATOM 519 OD1 ASN A 111 -2.832 -2.967 -15.006 1.00 0.00 O ATOM 520 ND2 ASN A 111 -4.879 -2.977 -14.199 1.00 0.00 N ATOM 0 H ASN A 111 -2.125 -5.730 -11.365 1.00 0.00 H new ATOM 0 HA ASN A 111 -2.410 -5.731 -14.167 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.960 -4.682 -12.495 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.749 -3.462 -12.157 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.215 -2.431 -14.992 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.527 -3.263 -13.465 1.00 0.00 H new ATOM 527 N LEU A 112 -0.024 -3.837 -12.936 1.00 0.00 N ATOM 528 CA LEU A 112 1.171 -3.077 -13.263 1.00 0.00 C ATOM 529 C LEU A 112 2.128 -3.926 -14.077 1.00 0.00 C ATOM 530 O LEU A 112 2.786 -3.433 -14.991 1.00 0.00 O ATOM 531 CB LEU A 112 1.858 -2.610 -11.968 1.00 0.00 C ATOM 532 CG LEU A 112 1.138 -1.375 -11.405 1.00 0.00 C ATOM 533 CD1 LEU A 112 1.582 -1.147 -9.956 1.00 0.00 C ATOM 534 CD2 LEU A 112 1.479 -0.126 -12.246 1.00 0.00 C ATOM 0 H LEU A 112 -0.180 -3.964 -11.936 1.00 0.00 H new ATOM 0 HA LEU A 112 0.886 -2.207 -13.855 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.848 -3.414 -11.232 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.903 -2.372 -12.167 1.00 0.00 H new ATOM 0 HG LEU A 112 0.062 -1.544 -11.443 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.073 -0.271 -9.553 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.330 -2.021 -9.356 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.660 -0.986 -9.927 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.962 0.741 -11.836 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.555 0.047 -12.220 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.161 -0.284 -13.277 1.00 0.00 H new ATOM 546 N GLY A 113 2.207 -5.207 -13.735 1.00 0.00 N ATOM 547 CA GLY A 113 3.097 -6.132 -14.440 1.00 0.00 C ATOM 548 C GLY A 113 3.889 -6.982 -13.453 1.00 0.00 C ATOM 549 O GLY A 113 4.633 -7.872 -13.854 1.00 0.00 O ATOM 0 H GLY A 113 1.670 -5.630 -12.978 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.512 -6.778 -15.095 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.783 -5.571 -15.075 1.00 0.00 H new ATOM 553 N GLU A 114 3.729 -6.695 -12.159 1.00 0.00 N ATOM 554 CA GLU A 114 4.445 -7.440 -11.118 1.00 0.00 C ATOM 555 C GLU A 114 3.479 -8.318 -10.324 1.00 0.00 C ATOM 556 O GLU A 114 2.752 -7.830 -9.461 1.00 0.00 O ATOM 557 CB GLU A 114 5.142 -6.452 -10.178 1.00 0.00 C ATOM 558 CG GLU A 114 6.221 -5.689 -10.955 1.00 0.00 C ATOM 559 CD GLU A 114 6.881 -4.647 -10.059 1.00 0.00 C ATOM 560 OE1 GLU A 114 6.507 -4.567 -8.901 1.00 0.00 O ATOM 561 OE2 GLU A 114 7.752 -3.941 -10.544 1.00 0.00 O ATOM 0 H GLU A 114 3.116 -5.959 -11.808 1.00 0.00 H new ATOM 0 HA GLU A 114 5.186 -8.085 -11.590 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.416 -5.754 -9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.590 -6.985 -9.339 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.972 -6.386 -11.328 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.778 -5.203 -11.824 1.00 0.00 H new ATOM 568 N LYS A 115 3.476 -9.617 -10.629 1.00 0.00 N ATOM 569 CA LYS A 115 2.589 -10.562 -9.943 1.00 0.00 C ATOM 570 C LYS A 115 3.244 -11.105 -8.670 1.00 0.00 C ATOM 571 O LYS A 115 3.977 -12.097 -8.707 1.00 0.00 O ATOM 572 CB LYS A 115 2.239 -11.719 -10.887 1.00 0.00 C ATOM 573 CG LYS A 115 1.192 -12.624 -10.232 1.00 0.00 C ATOM 574 CD LYS A 115 0.760 -13.711 -11.221 1.00 0.00 C ATOM 575 CE LYS A 115 -0.304 -14.605 -10.579 1.00 0.00 C ATOM 576 NZ LYS A 115 -0.759 -15.621 -11.570 1.00 0.00 N ATOM 0 H LYS A 115 4.073 -10.038 -11.341 1.00 0.00 H new ATOM 0 HA LYS A 115 1.678 -10.036 -9.658 1.00 0.00 H new ATOM 0 HB2 LYS A 115 1.856 -11.328 -11.830 1.00 0.00 H new ATOM 0 HB3 LYS A 115 3.135 -12.294 -11.120 1.00 0.00 H new ATOM 0 HG2 LYS A 115 1.603 -13.080 -9.332 1.00 0.00 H new ATOM 0 HG3 LYS A 115 0.328 -12.034 -9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 115 0.364 -13.254 -12.128 1.00 0.00 H new ATOM 0 HD3 LYS A 115 1.622 -14.310 -11.516 1.00 0.00 H new ATOM 0 HE2 LYS A 115 0.104 -15.098 -9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -1.149 -14.002 -10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -1.482 -16.230 -11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -1.163 -15.141 -12.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 0.050 -16.203 -11.867 1.00 0.00 H new ATOM 590 N LEU A 116 2.965 -10.444 -7.548 1.00 0.00 N ATOM 591 CA LEU A 116 3.514 -10.844 -6.247 1.00 0.00 C ATOM 592 C LEU A 116 2.746 -12.042 -5.695 1.00 0.00 C ATOM 593 O LEU A 116 1.957 -12.662 -6.409 1.00 0.00 O ATOM 594 CB LEU A 116 3.431 -9.681 -5.252 1.00 0.00 C ATOM 595 CG LEU A 116 3.809 -8.368 -5.935 1.00 0.00 C ATOM 596 CD1 LEU A 116 3.975 -7.268 -4.876 1.00 0.00 C ATOM 597 CD2 LEU A 116 5.119 -8.523 -6.711 1.00 0.00 C ATOM 0 H LEU A 116 2.359 -9.624 -7.511 1.00 0.00 H new ATOM 0 HA LEU A 116 4.559 -11.120 -6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.421 -9.611 -4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.098 -9.866 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 116 3.016 -8.097 -6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.245 -6.331 -5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.037 -7.139 -4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.761 -7.552 -4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.372 -7.577 -7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.917 -8.807 -6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 116 5.002 -9.296 -7.471 1.00 0.00 H new ATOM 609 N THR A 117 2.968 -12.358 -4.417 1.00 0.00 N ATOM 610 CA THR A 117 2.270 -13.479 -3.774 1.00 0.00 C ATOM 611 C THR A 117 1.138 -12.956 -2.885 1.00 0.00 C ATOM 612 O THR A 117 1.368 -12.157 -1.977 1.00 0.00 O ATOM 613 CB THR A 117 3.254 -14.294 -2.928 1.00 0.00 C ATOM 614 OG1 THR A 117 4.026 -13.414 -2.128 1.00 0.00 O ATOM 615 CG2 THR A 117 4.184 -15.095 -3.844 1.00 0.00 C ATOM 0 H THR A 117 3.619 -11.860 -3.810 1.00 0.00 H new ATOM 0 HA THR A 117 1.848 -14.118 -4.549 1.00 0.00 H new ATOM 0 HB THR A 117 2.698 -14.980 -2.289 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.655 -13.933 -1.585 1.00 0.00 H new ATOM 0 HG21 THR A 117 4.882 -15.673 -3.238 1.00 0.00 H new ATOM 0 HG22 THR A 117 3.593 -15.771 -4.461 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.740 -14.411 -4.485 1.00 0.00 H new ATOM 623 N ASP A 118 -0.085 -13.406 -3.160 1.00 0.00 N ATOM 624 CA ASP A 118 -1.250 -12.964 -2.390 1.00 0.00 C ATOM 625 C ASP A 118 -0.994 -13.135 -0.893 1.00 0.00 C ATOM 626 O ASP A 118 -1.423 -12.312 -0.084 1.00 0.00 O ATOM 627 CB ASP A 118 -2.484 -13.790 -2.800 1.00 0.00 C ATOM 628 CG ASP A 118 -3.138 -13.191 -4.044 1.00 0.00 C ATOM 629 OD1 ASP A 118 -2.535 -12.314 -4.642 1.00 0.00 O ATOM 630 OD2 ASP A 118 -4.232 -13.618 -4.378 1.00 0.00 O ATOM 0 H ASP A 118 -0.296 -14.071 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.430 -11.909 -2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.190 -14.821 -2.997 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.202 -13.814 -1.980 1.00 0.00 H new ATOM 635 N GLU A 119 -0.299 -14.208 -0.535 1.00 0.00 N ATOM 636 CA GLU A 119 0.002 -14.478 0.867 1.00 0.00 C ATOM 637 C GLU A 119 0.874 -13.364 1.448 1.00 0.00 C ATOM 638 O GLU A 119 0.741 -12.999 2.618 1.00 0.00 O ATOM 639 CB GLU A 119 0.721 -15.829 0.991 1.00 0.00 C ATOM 640 CG GLU A 119 -0.199 -16.943 0.469 1.00 0.00 C ATOM 641 CD GLU A 119 0.507 -18.300 0.528 1.00 0.00 C ATOM 642 OE1 GLU A 119 1.630 -18.346 1.005 1.00 0.00 O ATOM 643 OE2 GLU A 119 -0.088 -19.276 0.096 1.00 0.00 O ATOM 0 H GLU A 119 0.065 -14.901 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 119 -0.932 -14.516 1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.651 -15.813 0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.987 -16.018 2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.112 -16.976 1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.495 -16.726 -0.557 1.00 0.00 H new ATOM 650 N GLU A 120 1.739 -12.794 0.615 1.00 0.00 N ATOM 651 CA GLU A 120 2.590 -11.692 1.060 1.00 0.00 C ATOM 652 C GLU A 120 1.767 -10.416 1.177 1.00 0.00 C ATOM 653 O GLU A 120 1.792 -9.743 2.205 1.00 0.00 O ATOM 654 CB GLU A 120 3.751 -11.486 0.084 1.00 0.00 C ATOM 655 CG GLU A 120 4.703 -10.411 0.619 1.00 0.00 C ATOM 656 CD GLU A 120 5.948 -10.322 -0.261 1.00 0.00 C ATOM 657 OE1 GLU A 120 5.944 -10.926 -1.321 1.00 0.00 O ATOM 658 OE2 GLU A 120 6.885 -9.653 0.142 1.00 0.00 O ATOM 0 H GLU A 120 1.870 -13.070 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 120 3.002 -11.939 2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.290 -12.423 -0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.368 -11.190 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.196 -9.446 0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.990 -10.646 1.644 1.00 0.00 H new ATOM 665 N VAL A 121 1.007 -10.110 0.129 1.00 0.00 N ATOM 666 CA VAL A 121 0.146 -8.929 0.135 1.00 0.00 C ATOM 667 C VAL A 121 -0.676 -8.909 1.428 1.00 0.00 C ATOM 668 O VAL A 121 -0.465 -8.096 2.314 1.00 0.00 O ATOM 669 CB VAL A 121 -0.793 -8.969 -1.086 1.00 0.00 C ATOM 670 CG1 VAL A 121 -1.986 -8.030 -0.876 1.00 0.00 C ATOM 671 CG2 VAL A 121 -0.028 -8.535 -2.343 1.00 0.00 C ATOM 0 H VAL A 121 0.969 -10.659 -0.730 1.00 0.00 H new ATOM 0 HA VAL A 121 0.757 -8.028 0.083 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.158 -9.989 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.639 -8.071 -1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.542 -8.340 0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.627 -7.010 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.696 -8.565 -3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.346 -7.520 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.810 -9.211 -2.511 1.00 0.00 H new ATOM 681 N ASP A 122 -1.610 -9.831 1.531 1.00 0.00 N ATOM 682 CA ASP A 122 -2.453 -9.924 2.714 1.00 0.00 C ATOM 683 C ASP A 122 -1.613 -9.768 3.986 1.00 0.00 C ATOM 684 O ASP A 122 -2.001 -9.045 4.907 1.00 0.00 O ATOM 685 CB ASP A 122 -3.150 -11.283 2.714 1.00 0.00 C ATOM 686 CG ASP A 122 -4.123 -11.390 3.884 1.00 0.00 C ATOM 687 OD1 ASP A 122 -4.126 -10.496 4.716 1.00 0.00 O ATOM 688 OD2 ASP A 122 -4.852 -12.366 3.929 1.00 0.00 O ATOM 0 H ASP A 122 -1.808 -10.528 0.813 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.194 -9.125 2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.686 -11.422 1.775 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.407 -12.078 2.778 1.00 0.00 H new ATOM 693 N GLU A 123 -0.455 -10.430 4.023 1.00 0.00 N ATOM 694 CA GLU A 123 0.424 -10.332 5.186 1.00 0.00 C ATOM 695 C GLU A 123 1.017 -8.921 5.322 1.00 0.00 C ATOM 696 O GLU A 123 1.173 -8.413 6.431 1.00 0.00 O ATOM 697 CB GLU A 123 1.561 -11.357 5.071 1.00 0.00 C ATOM 698 CG GLU A 123 1.038 -12.755 5.410 1.00 0.00 C ATOM 699 CD GLU A 123 0.725 -12.853 6.899 1.00 0.00 C ATOM 700 OE1 GLU A 123 1.271 -12.067 7.655 1.00 0.00 O ATOM 701 OE2 GLU A 123 -0.055 -13.718 7.263 1.00 0.00 O ATOM 0 H GLU A 123 -0.109 -11.030 3.274 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.172 -10.540 6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.970 -11.347 4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 123 2.373 -11.089 5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 123 0.141 -12.967 4.828 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.780 -13.505 5.137 1.00 0.00 H new ATOM 708 N MET A 124 1.351 -8.296 4.188 1.00 0.00 N ATOM 709 CA MET A 124 1.940 -6.956 4.201 1.00 0.00 C ATOM 710 C MET A 124 1.103 -5.983 5.025 1.00 0.00 C ATOM 711 O MET A 124 1.512 -5.554 6.102 1.00 0.00 O ATOM 712 CB MET A 124 2.052 -6.430 2.752 1.00 0.00 C ATOM 713 CG MET A 124 3.302 -6.983 2.077 1.00 0.00 C ATOM 714 SD MET A 124 4.762 -6.198 2.792 1.00 0.00 S ATOM 715 CE MET A 124 4.753 -4.710 1.761 1.00 0.00 C ATOM 0 H MET A 124 1.224 -8.694 3.257 1.00 0.00 H new ATOM 0 HA MET A 124 2.927 -7.027 4.657 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.167 -6.719 2.185 1.00 0.00 H new ATOM 0 HB3 MET A 124 2.086 -5.341 2.756 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.354 -8.064 2.210 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.263 -6.796 1.004 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.994 -3.841 2.374 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.494 -4.812 0.968 1.00 0.00 H new ATOM 0 HE3 MET A 124 3.765 -4.579 1.319 1.00 0.00 H new ATOM 725 N ILE A 125 -0.064 -5.635 4.509 1.00 0.00 N ATOM 726 CA ILE A 125 -0.938 -4.699 5.208 1.00 0.00 C ATOM 727 C ILE A 125 -1.159 -5.168 6.643 1.00 0.00 C ATOM 728 O ILE A 125 -1.117 -4.376 7.579 1.00 0.00 O ATOM 729 CB ILE A 125 -2.290 -4.595 4.474 1.00 0.00 C ATOM 730 CG1 ILE A 125 -2.131 -3.716 3.224 1.00 0.00 C ATOM 731 CG2 ILE A 125 -3.371 -3.985 5.405 1.00 0.00 C ATOM 732 CD1 ILE A 125 -3.433 -3.730 2.415 1.00 0.00 C ATOM 0 H ILE A 125 -0.428 -5.979 3.620 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.467 -3.716 5.224 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.606 -5.596 4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.883 -2.695 3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.307 -4.083 2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.318 -3.920 4.869 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.494 -4.618 6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -3.061 -2.988 5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.318 -3.106 1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.662 -4.752 2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.247 -3.343 3.028 1.00 0.00 H new ATOM 744 N ARG A 126 -1.407 -6.460 6.808 1.00 0.00 N ATOM 745 CA ARG A 126 -1.651 -7.019 8.129 1.00 0.00 C ATOM 746 C ARG A 126 -0.558 -6.618 9.110 1.00 0.00 C ATOM 747 O ARG A 126 -0.847 -6.304 10.263 1.00 0.00 O ATOM 748 CB ARG A 126 -1.742 -8.542 8.015 1.00 0.00 C ATOM 749 CG ARG A 126 -3.098 -8.945 7.401 1.00 0.00 C ATOM 750 CD ARG A 126 -4.156 -9.047 8.506 1.00 0.00 C ATOM 751 NE ARG A 126 -5.462 -9.304 7.916 1.00 0.00 N ATOM 752 CZ ARG A 126 -5.857 -10.540 7.646 1.00 0.00 C ATOM 753 NH1 ARG A 126 -5.059 -11.542 7.901 1.00 0.00 N ATOM 754 NH2 ARG A 126 -7.031 -10.750 7.118 1.00 0.00 N ATOM 0 H ARG A 126 -1.444 -7.138 6.047 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.591 -6.623 8.514 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.927 -8.918 7.396 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -1.630 -8.996 9.000 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.405 -8.209 6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -3.005 -9.900 6.884 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -3.896 -9.847 9.199 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.183 -8.123 9.083 1.00 0.00 H new ATOM 0 HE ARG A 126 -6.082 -8.521 7.707 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -4.138 -11.371 8.305 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -5.356 -12.496 7.696 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -7.646 -9.963 6.912 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -7.334 -11.702 6.911 1.00 0.00 H new ATOM 768 N GLU A 127 0.695 -6.637 8.666 1.00 0.00 N ATOM 769 CA GLU A 127 1.800 -6.266 9.543 1.00 0.00 C ATOM 770 C GLU A 127 1.940 -4.744 9.617 1.00 0.00 C ATOM 771 O GLU A 127 2.214 -4.194 10.683 1.00 0.00 O ATOM 772 CB GLU A 127 3.104 -6.905 9.050 1.00 0.00 C ATOM 773 CG GLU A 127 3.012 -8.432 9.186 1.00 0.00 C ATOM 774 CD GLU A 127 4.290 -9.084 8.656 1.00 0.00 C ATOM 775 OE1 GLU A 127 5.183 -8.355 8.261 1.00 0.00 O ATOM 776 OE2 GLU A 127 4.355 -10.304 8.657 1.00 0.00 O ATOM 0 H GLU A 127 0.968 -6.901 7.719 1.00 0.00 H new ATOM 0 HA GLU A 127 1.589 -6.637 10.546 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.284 -6.632 8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.947 -6.528 9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.862 -8.704 10.231 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.149 -8.803 8.633 1.00 0.00 H new ATOM 783 N ALA A 128 1.753 -4.075 8.485 1.00 0.00 N ATOM 784 CA ALA A 128 1.863 -2.614 8.439 1.00 0.00 C ATOM 785 C ALA A 128 0.758 -1.955 9.269 1.00 0.00 C ATOM 786 O ALA A 128 1.031 -1.168 10.177 1.00 0.00 O ATOM 787 CB ALA A 128 1.772 -2.136 6.969 1.00 0.00 C ATOM 0 H ALA A 128 1.526 -4.512 7.592 1.00 0.00 H new ATOM 0 HA ALA A 128 2.825 -2.324 8.862 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.854 -1.050 6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.583 -2.580 6.391 1.00 0.00 H new ATOM 0 HB3 ALA A 128 0.815 -2.442 6.546 1.00 0.00 H new ATOM 793 N ASP A 129 -0.485 -2.281 8.943 1.00 0.00 N ATOM 794 CA ASP A 129 -1.633 -1.711 9.649 1.00 0.00 C ATOM 795 C ASP A 129 -1.403 -1.757 11.148 1.00 0.00 C ATOM 796 O ASP A 129 -0.968 -2.774 11.684 1.00 0.00 O ATOM 797 CB ASP A 129 -2.899 -2.490 9.288 1.00 0.00 C ATOM 798 CG ASP A 129 -4.137 -1.765 9.805 1.00 0.00 C ATOM 799 OD1 ASP A 129 -4.054 -1.180 10.870 1.00 0.00 O ATOM 800 OD2 ASP A 129 -5.149 -1.810 9.127 1.00 0.00 O ATOM 0 H ASP A 129 -0.728 -2.934 8.198 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.754 -0.671 9.347 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -2.965 -2.608 8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.851 -3.491 9.716 1.00 0.00 H new ATOM 805 N ILE A 130 -1.681 -0.643 11.817 1.00 0.00 N ATOM 806 CA ILE A 130 -1.486 -0.556 13.268 1.00 0.00 C ATOM 807 C ILE A 130 -2.767 -0.922 14.011 1.00 0.00 C ATOM 808 O ILE A 130 -2.734 -1.325 15.172 1.00 0.00 O ATOM 809 CB ILE A 130 -1.054 0.865 13.664 1.00 0.00 C ATOM 810 CG1 ILE A 130 0.263 1.200 12.969 1.00 0.00 C ATOM 811 CG2 ILE A 130 -0.851 0.932 15.188 1.00 0.00 C ATOM 812 CD1 ILE A 130 0.653 2.653 13.278 1.00 0.00 C ATOM 0 H ILE A 130 -2.040 0.209 11.386 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.704 -1.263 13.545 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.823 1.578 13.365 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.047 0.523 13.307 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.164 1.060 11.893 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.545 1.939 15.470 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.785 0.683 15.691 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.079 0.222 15.484 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.594 2.891 12.781 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -0.127 3.324 12.918 1.00 0.00 H new ATOM 0 HD13 ILE A 130 0.770 2.777 14.355 1.00 0.00 H new ATOM 824 N ASP A 131 -3.894 -0.778 13.329 1.00 0.00 N ATOM 825 CA ASP A 131 -5.206 -1.091 13.917 1.00 0.00 C ATOM 826 C ASP A 131 -5.830 -2.320 13.246 1.00 0.00 C ATOM 827 O ASP A 131 -6.904 -2.772 13.644 1.00 0.00 O ATOM 828 CB ASP A 131 -6.136 0.114 13.753 1.00 0.00 C ATOM 829 CG ASP A 131 -5.641 1.277 14.611 1.00 0.00 C ATOM 830 OD1 ASP A 131 -4.541 1.180 15.131 1.00 0.00 O ATOM 831 OD2 ASP A 131 -6.372 2.245 14.739 1.00 0.00 O ATOM 0 H ASP A 131 -3.935 -0.446 12.365 1.00 0.00 H new ATOM 0 HA ASP A 131 -5.068 -1.313 14.975 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -6.174 0.414 12.706 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -7.151 -0.157 14.044 1.00 0.00 H new ATOM 836 N GLY A 132 -5.154 -2.848 12.227 1.00 0.00 N ATOM 837 CA GLY A 132 -5.647 -4.019 11.509 1.00 0.00 C ATOM 838 C GLY A 132 -7.063 -3.787 11.001 1.00 0.00 C ATOM 839 O GLY A 132 -7.971 -4.571 11.275 1.00 0.00 O ATOM 0 H GLY A 132 -4.266 -2.484 11.882 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -4.987 -4.241 10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -5.630 -4.888 12.167 1.00 0.00 H new ATOM 843 N ASP A 133 -7.245 -2.691 10.271 1.00 0.00 N ATOM 844 CA ASP A 133 -8.555 -2.329 9.726 1.00 0.00 C ATOM 845 C ASP A 133 -8.543 -2.387 8.204 1.00 0.00 C ATOM 846 O ASP A 133 -9.236 -1.613 7.548 1.00 0.00 O ATOM 847 CB ASP A 133 -8.912 -0.914 10.185 1.00 0.00 C ATOM 848 CG ASP A 133 -7.818 0.066 9.759 1.00 0.00 C ATOM 849 OD1 ASP A 133 -7.051 -0.282 8.876 1.00 0.00 O ATOM 850 OD2 ASP A 133 -7.765 1.149 10.318 1.00 0.00 O ATOM 0 H ASP A 133 -6.500 -2.034 10.041 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.298 -3.039 10.089 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.868 -0.614 9.756 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -9.029 -0.893 11.269 1.00 0.00 H new ATOM 855 N GLY A 134 -7.768 -3.317 7.654 1.00 0.00 N ATOM 856 CA GLY A 134 -7.686 -3.481 6.201 1.00 0.00 C ATOM 857 C GLY A 134 -7.474 -2.145 5.494 1.00 0.00 C ATOM 858 O GLY A 134 -7.514 -2.077 4.269 1.00 0.00 O ATOM 0 H GLY A 134 -7.190 -3.967 8.187 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -6.866 -4.156 5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.602 -3.945 5.835 1.00 0.00 H new ATOM 862 N GLN A 135 -7.259 -1.083 6.264 1.00 0.00 N ATOM 863 CA GLN A 135 -7.055 0.247 5.693 1.00 0.00 C ATOM 864 C GLN A 135 -5.760 0.828 6.224 1.00 0.00 C ATOM 865 O GLN A 135 -5.649 1.127 7.412 1.00 0.00 O ATOM 866 CB GLN A 135 -8.244 1.149 6.059 1.00 0.00 C ATOM 867 CG GLN A 135 -9.531 0.596 5.423 1.00 0.00 C ATOM 868 CD GLN A 135 -9.585 0.916 3.927 1.00 0.00 C ATOM 869 OE1 GLN A 135 -8.890 0.284 3.125 1.00 0.00 O ATOM 870 NE2 GLN A 135 -10.380 1.862 3.500 1.00 0.00 N ATOM 0 H GLN A 135 -7.221 -1.115 7.283 1.00 0.00 H new ATOM 0 HA GLN A 135 -6.990 0.180 4.607 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.355 1.199 7.142 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -8.062 2.166 5.710 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -9.579 -0.483 5.570 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -10.400 1.024 5.922 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -10.954 2.384 4.163 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -10.426 2.078 2.504 1.00 0.00 H new ATOM 879 N VAL A 136 -4.775 0.990 5.332 1.00 0.00 N ATOM 880 CA VAL A 136 -3.481 1.546 5.732 1.00 0.00 C ATOM 881 C VAL A 136 -3.281 2.914 5.103 1.00 0.00 C ATOM 882 O VAL A 136 -3.509 3.105 3.909 1.00 0.00 O ATOM 883 CB VAL A 136 -2.337 0.616 5.289 1.00 0.00 C ATOM 884 CG1 VAL A 136 -0.999 1.295 5.552 1.00 0.00 C ATOM 885 CG2 VAL A 136 -2.384 -0.691 6.072 1.00 0.00 C ATOM 0 H VAL A 136 -4.849 0.748 4.344 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.471 1.639 6.818 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.451 0.406 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.189 0.637 5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -0.947 2.227 4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.902 1.508 6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -1.569 -1.339 5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -2.280 -0.481 7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.337 -1.189 5.892 1.00 0.00 H new ATOM 895 N ASN A 137 -2.850 3.862 5.918 1.00 0.00 N ATOM 896 CA ASN A 137 -2.602 5.219 5.437 1.00 0.00 C ATOM 897 C ASN A 137 -1.337 5.245 4.578 1.00 0.00 C ATOM 898 O ASN A 137 -0.985 4.248 3.956 1.00 0.00 O ATOM 899 CB ASN A 137 -2.446 6.172 6.617 1.00 0.00 C ATOM 900 CG ASN A 137 -3.652 6.051 7.542 1.00 0.00 C ATOM 901 OD1 ASN A 137 -4.584 5.297 7.254 1.00 0.00 O ATOM 902 ND2 ASN A 137 -3.695 6.754 8.640 1.00 0.00 N ATOM 0 H ASN A 137 -2.664 3.723 6.911 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.450 5.539 4.832 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.532 5.941 7.164 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.353 7.197 6.258 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.500 6.680 9.262 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.923 7.377 8.877 1.00 0.00 H new ATOM 909 N TYR A 138 -0.664 6.389 4.549 1.00 0.00 N ATOM 910 CA TYR A 138 0.561 6.535 3.762 1.00 0.00 C ATOM 911 C TYR A 138 1.785 6.108 4.585 1.00 0.00 C ATOM 912 O TYR A 138 2.517 5.208 4.173 1.00 0.00 O ATOM 913 CB TYR A 138 0.706 7.992 3.305 1.00 0.00 C ATOM 914 CG TYR A 138 -0.666 8.563 2.999 1.00 0.00 C ATOM 915 CD1 TYR A 138 -1.562 7.850 2.188 1.00 0.00 C ATOM 916 CD2 TYR A 138 -1.043 9.798 3.533 1.00 0.00 C ATOM 917 CE1 TYR A 138 -2.835 8.380 1.912 1.00 0.00 C ATOM 918 CE2 TYR A 138 -2.310 10.328 3.258 1.00 0.00 C ATOM 919 CZ TYR A 138 -3.206 9.618 2.448 1.00 0.00 C ATOM 920 OH TYR A 138 -4.455 10.141 2.178 1.00 0.00 O ATOM 0 H TYR A 138 -0.942 7.228 5.058 1.00 0.00 H new ATOM 0 HA TYR A 138 0.499 5.889 2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 138 1.192 8.582 4.082 1.00 0.00 H new ATOM 0 HB3 TYR A 138 1.340 8.046 2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -1.274 6.894 1.776 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -0.355 10.346 4.160 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.525 7.832 1.287 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -2.596 11.284 3.670 1.00 0.00 H new ATOM 0 HH TYR A 138 -4.552 11.006 2.628 1.00 0.00 H new ATOM 930 N GLU A 139 1.998 6.749 5.739 1.00 0.00 N ATOM 931 CA GLU A 139 3.142 6.423 6.596 1.00 0.00 C ATOM 932 C GLU A 139 3.087 4.963 7.003 1.00 0.00 C ATOM 933 O GLU A 139 3.947 4.188 6.581 1.00 0.00 O ATOM 934 CB GLU A 139 3.142 7.327 7.820 1.00 0.00 C ATOM 935 CG GLU A 139 3.300 8.779 7.362 1.00 0.00 C ATOM 936 CD GLU A 139 4.671 8.989 6.721 1.00 0.00 C ATOM 937 OE1 GLU A 139 5.658 8.700 7.375 1.00 0.00 O ATOM 938 OE2 GLU A 139 4.710 9.430 5.583 1.00 0.00 O ATOM 0 H GLU A 139 1.398 7.491 6.099 1.00 0.00 H new ATOM 0 HA GLU A 139 4.067 6.589 6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 139 2.213 7.206 8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.955 7.053 8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 139 2.515 9.029 6.648 1.00 0.00 H new ATOM 0 HG3 GLU A 139 3.183 9.450 8.213 1.00 0.00 H new ATOM 945 N GLU A 140 2.093 4.612 7.843 1.00 0.00 N ATOM 946 CA GLU A 140 1.907 3.225 8.308 1.00 0.00 C ATOM 947 C GLU A 140 2.410 2.257 7.226 1.00 0.00 C ATOM 948 O GLU A 140 2.921 1.172 7.523 1.00 0.00 O ATOM 949 CB GLU A 140 0.417 2.967 8.556 1.00 0.00 C ATOM 950 CG GLU A 140 -0.039 3.617 9.860 1.00 0.00 C ATOM 951 CD GLU A 140 -1.553 3.498 10.004 1.00 0.00 C ATOM 952 OE1 GLU A 140 -2.156 2.791 9.207 1.00 0.00 O ATOM 953 OE2 GLU A 140 -2.090 4.120 10.906 1.00 0.00 O ATOM 0 H GLU A 140 1.407 5.271 8.213 1.00 0.00 H new ATOM 0 HA GLU A 140 2.466 3.072 9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -0.168 3.361 7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.231 1.894 8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.453 3.137 10.706 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.254 4.667 9.874 1.00 0.00 H new ATOM 960 N PHE A 141 2.286 2.690 5.965 1.00 0.00 N ATOM 961 CA PHE A 141 2.757 1.903 4.837 1.00 0.00 C ATOM 962 C PHE A 141 4.255 2.133 4.608 1.00 0.00 C ATOM 963 O PHE A 141 5.026 1.182 4.570 1.00 0.00 O ATOM 964 CB PHE A 141 1.977 2.297 3.572 1.00 0.00 C ATOM 965 CG PHE A 141 1.833 1.096 2.667 1.00 0.00 C ATOM 966 CD1 PHE A 141 2.960 0.551 2.047 1.00 0.00 C ATOM 967 CD2 PHE A 141 0.573 0.525 2.464 1.00 0.00 C ATOM 968 CE1 PHE A 141 2.826 -0.570 1.215 1.00 0.00 C ATOM 969 CE2 PHE A 141 0.439 -0.588 1.639 1.00 0.00 C ATOM 970 CZ PHE A 141 1.564 -1.141 1.010 1.00 0.00 C ATOM 0 H PHE A 141 1.863 3.582 5.709 1.00 0.00 H new ATOM 0 HA PHE A 141 2.594 0.848 5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.993 2.679 3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.497 3.099 3.048 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.933 0.992 2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.296 0.947 2.947 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.695 -0.992 0.733 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.535 -1.027 1.483 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.457 -2.004 0.370 1.00 0.00 H new ATOM 980 N VAL A 142 4.649 3.405 4.445 1.00 0.00 N ATOM 981 CA VAL A 142 6.059 3.750 4.220 1.00 0.00 C ATOM 982 C VAL A 142 6.957 2.869 5.091 1.00 0.00 C ATOM 983 O VAL A 142 7.727 2.059 4.578 1.00 0.00 O ATOM 984 CB VAL A 142 6.289 5.220 4.566 1.00 0.00 C ATOM 985 CG1 VAL A 142 7.785 5.544 4.512 1.00 0.00 C ATOM 986 CG2 VAL A 142 5.535 6.104 3.558 1.00 0.00 C ATOM 0 H VAL A 142 4.016 4.205 4.465 1.00 0.00 H new ATOM 0 HA VAL A 142 6.305 3.582 3.171 1.00 0.00 H new ATOM 0 HB VAL A 142 5.920 5.413 5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.939 6.594 4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.319 4.920 5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 142 8.164 5.349 3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.697 7.154 3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.904 5.904 2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.469 5.881 3.605 1.00 0.00 H new ATOM 996 N GLN A 143 6.839 3.036 6.410 1.00 0.00 N ATOM 997 CA GLN A 143 7.636 2.248 7.354 1.00 0.00 C ATOM 998 C GLN A 143 7.663 0.772 6.936 1.00 0.00 C ATOM 999 O GLN A 143 8.474 -0.008 7.428 1.00 0.00 O ATOM 1000 CB GLN A 143 7.052 2.380 8.766 1.00 0.00 C ATOM 1001 CG GLN A 143 8.065 1.892 9.812 1.00 0.00 C ATOM 1002 CD GLN A 143 9.269 2.828 9.865 1.00 0.00 C ATOM 1003 OE1 GLN A 143 9.107 4.048 9.928 1.00 0.00 O ATOM 1004 NE2 GLN A 143 10.477 2.326 9.838 1.00 0.00 N ATOM 0 H GLN A 143 6.204 3.704 6.847 1.00 0.00 H new ATOM 0 HA GLN A 143 8.657 2.629 7.349 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.789 3.420 8.962 1.00 0.00 H new ATOM 0 HB3 GLN A 143 6.133 1.799 8.842 1.00 0.00 H new ATOM 0 HG2 GLN A 143 7.590 1.844 10.792 1.00 0.00 H new ATOM 0 HG3 GLN A 143 8.392 0.882 9.567 1.00 0.00 H new ATOM 0 HE21 GLN A 143 10.608 1.316 9.786 1.00 0.00 H new ATOM 0 HE22 GLN A 143 11.287 2.945 9.869 1.00 0.00 H new ATOM 1013 N MET A 144 6.776 0.401 6.016 1.00 0.00 N ATOM 1014 CA MET A 144 6.710 -0.973 5.524 1.00 0.00 C ATOM 1015 C MET A 144 7.398 -1.103 4.160 1.00 0.00 C ATOM 1016 O MET A 144 8.248 -1.975 3.969 1.00 0.00 O ATOM 1017 CB MET A 144 5.233 -1.416 5.424 1.00 0.00 C ATOM 1018 CG MET A 144 5.053 -2.775 6.104 1.00 0.00 C ATOM 1019 SD MET A 144 6.229 -3.956 5.401 1.00 0.00 S ATOM 1020 CE MET A 144 5.605 -5.430 6.248 1.00 0.00 C ATOM 0 H MET A 144 6.093 1.032 5.596 1.00 0.00 H new ATOM 0 HA MET A 144 7.235 -1.620 6.226 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.588 -0.675 5.896 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.933 -1.480 4.378 1.00 0.00 H new ATOM 0 HG2 MET A 144 5.213 -2.681 7.178 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.033 -3.133 5.963 1.00 0.00 H new ATOM 0 HE1 MET A 144 6.198 -6.296 5.955 1.00 0.00 H new ATOM 0 HE2 MET A 144 5.678 -5.288 7.326 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.563 -5.594 5.973 1.00 0.00 H new ATOM 1030 N MET A 145 7.017 -0.244 3.217 1.00 0.00 N ATOM 1031 CA MET A 145 7.594 -0.283 1.877 1.00 0.00 C ATOM 1032 C MET A 145 9.081 0.039 1.924 1.00 0.00 C ATOM 1033 O MET A 145 9.530 0.763 2.810 1.00 0.00 O ATOM 1034 CB MET A 145 6.873 0.721 0.975 1.00 0.00 C ATOM 1035 CG MET A 145 7.556 0.781 -0.393 1.00 0.00 C ATOM 1036 SD MET A 145 6.527 1.729 -1.540 1.00 0.00 S ATOM 1037 CE MET A 145 7.092 3.376 -1.045 1.00 0.00 C ATOM 0 H MET A 145 6.315 0.483 3.355 1.00 0.00 H new ATOM 0 HA MET A 145 7.470 -1.288 1.473 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.829 0.432 0.857 1.00 0.00 H new ATOM 0 HB3 MET A 145 6.880 1.708 1.438 1.00 0.00 H new ATOM 0 HG2 MET A 145 8.538 1.244 -0.301 1.00 0.00 H new ATOM 0 HG3 MET A 145 7.714 -0.227 -0.777 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.602 4.129 -1.662 1.00 0.00 H new ATOM 0 HE2 MET A 145 6.843 3.547 0.002 1.00 0.00 H new ATOM 0 HE3 MET A 145 8.172 3.445 -1.177 1.00 0.00 H new