USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 441 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 109 MET CE :methyl 177:sc= -15.8! (180deg=-12.1!) USER MOD Set 1.2: A 145 MET CE :methyl -154:sc= -12.6! (180deg=-12.4!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.182 USER MOD Single : A 107 HIS :FLIP no HE2:sc= -2.09 F(o=-4.8!,f=-2.1) USER MOD Single : A 110 THR OG1 : rot -39:sc= 1.12 USER MOD Single : A 111 ASN : amide:sc= -11! C(o=-11!,f=-21!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 153:sc= -0.613 (180deg=-2.79!) USER MOD Single : A 135 GLN : amide:sc= -0.857 K(o=-0.86,f=-1.8) USER MOD Single : A 137 ASN :FLIP amide:sc= -0.437 F(o=-5.8!,f=-0.44) USER MOD Single : A 138 TYR OH : rot -164:sc= -3.83! USER MOD Single : A 143 GLN : amide:sc= -3.71! C(o=-3.7!,f=-4.3!) USER MOD Single : A 144 MET CE :methyl -109:sc= -8.62! (180deg=-9.09!) USER MOD Single : A 146 THR OG1 : rot 11:sc= 0.575 USER MOD ----------------------------------------------------------------- ATOM 91 N GLU A 82 -5.785 -2.612 -6.836 1.00 0.00 N ATOM 92 CA GLU A 82 -6.007 -2.017 -5.488 1.00 0.00 C ATOM 93 C GLU A 82 -7.506 -2.046 -5.168 1.00 0.00 C ATOM 94 O GLU A 82 -7.937 -1.592 -4.129 1.00 0.00 O ATOM 95 CB GLU A 82 -5.486 -0.572 -5.457 1.00 0.00 C ATOM 96 CG GLU A 82 -4.125 -0.501 -6.157 1.00 0.00 C ATOM 97 CD GLU A 82 -3.964 0.865 -6.823 1.00 0.00 C ATOM 98 OE1 GLU A 82 -4.020 1.857 -6.116 1.00 0.00 O ATOM 99 OE2 GLU A 82 -3.786 0.898 -8.030 1.00 0.00 O ATOM 0 HA GLU A 82 -5.465 -2.595 -4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.195 0.092 -5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.394 -0.230 -4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.324 -0.662 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.046 -1.292 -6.902 1.00 0.00 H new ATOM 106 N GLU A 83 -8.307 -2.591 -6.046 1.00 0.00 N ATOM 107 CA GLU A 83 -9.769 -2.657 -5.767 1.00 0.00 C ATOM 108 C GLU A 83 -9.967 -3.148 -4.333 1.00 0.00 C ATOM 109 O GLU A 83 -10.844 -2.700 -3.623 1.00 0.00 O ATOM 110 CB GLU A 83 -10.436 -3.632 -6.741 1.00 0.00 C ATOM 111 CG GLU A 83 -10.736 -2.914 -8.058 1.00 0.00 C ATOM 112 CD GLU A 83 -12.131 -2.290 -7.993 1.00 0.00 C ATOM 113 OE1 GLU A 83 -12.747 -2.370 -6.942 1.00 0.00 O ATOM 114 OE2 GLU A 83 -12.561 -1.743 -8.995 1.00 0.00 O ATOM 0 H GLU A 83 -8.013 -2.990 -6.938 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.218 -1.671 -5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.783 -4.486 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.358 -4.021 -6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.989 -2.142 -8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.679 -3.617 -8.889 1.00 0.00 H new ATOM 121 N GLU A 84 -9.138 -4.060 -3.903 1.00 0.00 N ATOM 122 CA GLU A 84 -9.247 -4.580 -2.512 1.00 0.00 C ATOM 123 C GLU A 84 -8.206 -3.871 -1.645 1.00 0.00 C ATOM 124 O GLU A 84 -8.335 -3.783 -0.440 1.00 0.00 O ATOM 125 CB GLU A 84 -8.980 -6.087 -2.510 1.00 0.00 C ATOM 126 CG GLU A 84 -9.973 -6.782 -1.576 1.00 0.00 C ATOM 127 CD GLU A 84 -9.644 -8.274 -1.499 1.00 0.00 C ATOM 128 OE1 GLU A 84 -9.350 -8.850 -2.534 1.00 0.00 O ATOM 129 OE2 GLU A 84 -9.690 -8.816 -0.407 1.00 0.00 O ATOM 0 H GLU A 84 -8.387 -4.469 -4.459 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.246 -4.395 -2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.076 -6.485 -3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.959 -6.285 -2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.926 -6.337 -0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.991 -6.642 -1.941 1.00 0.00 H new ATOM 136 N ILE A 85 -7.175 -3.360 -2.260 1.00 0.00 N ATOM 137 CA ILE A 85 -6.115 -2.644 -1.496 1.00 0.00 C ATOM 138 C ILE A 85 -6.616 -1.249 -1.127 1.00 0.00 C ATOM 139 O ILE A 85 -6.884 -0.957 0.021 1.00 0.00 O ATOM 140 CB ILE A 85 -4.870 -2.514 -2.372 1.00 0.00 C ATOM 141 CG1 ILE A 85 -4.558 -3.866 -3.014 1.00 0.00 C ATOM 142 CG2 ILE A 85 -3.689 -2.064 -1.515 1.00 0.00 C ATOM 143 CD1 ILE A 85 -3.313 -3.739 -3.893 1.00 0.00 C ATOM 0 H ILE A 85 -7.021 -3.408 -3.267 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.874 -3.200 -0.590 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.048 -1.776 -3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.396 -4.618 -2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.406 -4.201 -3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.801 -1.971 -2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.916 -1.099 -1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.507 -2.800 -0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.091 -4.703 -4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.493 -3.000 -4.674 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.467 -3.424 -3.282 1.00 0.00 H new ATOM 155 N ARG A 86 -6.738 -0.390 -2.104 1.00 0.00 N ATOM 156 CA ARG A 86 -7.219 0.994 -1.855 1.00 0.00 C ATOM 157 C ARG A 86 -8.285 0.996 -0.761 1.00 0.00 C ATOM 158 O ARG A 86 -8.335 1.883 0.063 1.00 0.00 O ATOM 159 CB ARG A 86 -7.829 1.544 -3.144 1.00 0.00 C ATOM 160 CG ARG A 86 -7.334 2.966 -3.377 1.00 0.00 C ATOM 161 CD ARG A 86 -8.097 3.925 -2.462 1.00 0.00 C ATOM 162 NE ARG A 86 -8.716 5.005 -3.280 1.00 0.00 N ATOM 163 CZ ARG A 86 -10.013 5.064 -3.410 1.00 0.00 C ATOM 164 NH1 ARG A 86 -10.740 5.605 -2.471 1.00 0.00 N ATOM 165 NH2 ARG A 86 -10.585 4.578 -4.479 1.00 0.00 N ATOM 0 H ARG A 86 -6.520 -0.596 -3.079 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.380 1.612 -1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.555 0.910 -3.987 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.917 1.533 -3.077 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.264 3.028 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.480 3.247 -4.420 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.867 3.384 -1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.421 4.356 -1.724 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.126 5.699 -3.739 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.294 5.982 -1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.754 5.651 -2.573 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.018 4.152 -5.212 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.599 4.624 -4.581 1.00 0.00 H new ATOM 179 N GLU A 87 -9.136 0.011 -0.742 1.00 0.00 N ATOM 180 CA GLU A 87 -10.189 -0.028 0.308 1.00 0.00 C ATOM 181 C GLU A 87 -9.546 -0.461 1.622 1.00 0.00 C ATOM 182 O GLU A 87 -9.748 0.147 2.655 1.00 0.00 O ATOM 183 CB GLU A 87 -11.280 -1.021 -0.093 1.00 0.00 C ATOM 184 CG GLU A 87 -12.216 -1.260 1.091 1.00 0.00 C ATOM 185 CD GLU A 87 -13.088 -0.022 1.310 1.00 0.00 C ATOM 186 OE1 GLU A 87 -14.058 0.130 0.585 1.00 0.00 O ATOM 187 OE2 GLU A 87 -12.771 0.752 2.198 1.00 0.00 O ATOM 0 H GLU A 87 -9.149 -0.765 -1.404 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.640 0.957 0.424 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.843 -0.635 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.831 -1.962 -0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.843 -2.131 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.636 -1.473 1.989 1.00 0.00 H new ATOM 194 N ALA A 88 -8.748 -1.492 1.582 1.00 0.00 N ATOM 195 CA ALA A 88 -8.056 -1.947 2.817 1.00 0.00 C ATOM 196 C ALA A 88 -6.750 -1.161 2.922 1.00 0.00 C ATOM 197 O ALA A 88 -5.668 -1.711 2.902 1.00 0.00 O ATOM 198 CB ALA A 88 -7.760 -3.445 2.721 1.00 0.00 C ATOM 0 H ALA A 88 -8.546 -2.039 0.745 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.678 -1.778 3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.253 -3.775 3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.695 -3.994 2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.121 -3.635 1.859 1.00 0.00 H new ATOM 204 N PHE A 89 -6.860 0.134 3.007 1.00 0.00 N ATOM 205 CA PHE A 89 -5.658 1.004 3.084 1.00 0.00 C ATOM 206 C PHE A 89 -6.131 2.453 3.098 1.00 0.00 C ATOM 207 O PHE A 89 -5.498 3.321 3.666 1.00 0.00 O ATOM 208 CB PHE A 89 -4.771 0.763 1.856 1.00 0.00 C ATOM 209 CG PHE A 89 -3.318 0.900 2.239 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.857 0.337 3.430 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.431 1.588 1.404 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.513 0.461 3.791 1.00 0.00 C ATOM 213 CE2 PHE A 89 -1.086 1.711 1.761 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.623 1.148 2.956 1.00 0.00 C ATOM 0 H PHE A 89 -7.749 0.634 3.027 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.082 0.782 3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.957 -0.232 1.451 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.019 1.478 1.071 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.541 -0.196 4.074 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.786 2.025 0.482 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.160 0.027 4.715 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.403 2.241 1.114 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.417 1.243 3.233 1.00 0.00 H new ATOM 224 N ARG A 90 -7.262 2.718 2.497 1.00 0.00 N ATOM 225 CA ARG A 90 -7.794 4.091 2.500 1.00 0.00 C ATOM 226 C ARG A 90 -8.108 4.454 3.938 1.00 0.00 C ATOM 227 O ARG A 90 -8.146 5.605 4.316 1.00 0.00 O ATOM 228 CB ARG A 90 -9.074 4.149 1.658 1.00 0.00 C ATOM 229 CG ARG A 90 -10.158 3.282 2.306 1.00 0.00 C ATOM 230 CD ARG A 90 -11.537 3.835 1.943 1.00 0.00 C ATOM 231 NE ARG A 90 -11.559 4.210 0.501 1.00 0.00 N ATOM 232 CZ ARG A 90 -12.568 4.881 0.017 1.00 0.00 C ATOM 233 NH1 ARG A 90 -12.715 6.143 0.315 1.00 0.00 N ATOM 234 NH2 ARG A 90 -13.430 4.291 -0.765 1.00 0.00 N ATOM 0 H ARG A 90 -7.834 2.032 2.005 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.070 4.788 2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.420 5.179 1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.871 3.799 0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.066 2.251 1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.032 3.272 3.389 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.305 3.089 2.147 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.765 4.705 2.559 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.785 3.942 -0.108 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.041 6.605 0.926 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.504 6.668 -0.063 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.315 3.305 -0.998 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.219 4.816 -1.143 1.00 0.00 H new ATOM 248 N VAL A 91 -8.330 3.457 4.746 1.00 0.00 N ATOM 249 CA VAL A 91 -8.647 3.704 6.170 1.00 0.00 C ATOM 250 C VAL A 91 -7.721 4.790 6.712 1.00 0.00 C ATOM 251 O VAL A 91 -8.056 5.498 7.642 1.00 0.00 O ATOM 252 CB VAL A 91 -8.450 2.413 6.970 1.00 0.00 C ATOM 253 CG1 VAL A 91 -9.079 2.572 8.356 1.00 0.00 C ATOM 254 CG2 VAL A 91 -9.124 1.252 6.235 1.00 0.00 C ATOM 0 H VAL A 91 -8.304 2.474 4.474 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.683 4.030 6.263 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.385 2.208 7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.939 1.654 8.926 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.602 3.400 8.879 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.145 2.775 8.251 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.985 0.332 6.803 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.190 1.457 6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.678 1.139 5.247 1.00 0.00 H new ATOM 264 N PHE A 92 -6.552 4.920 6.148 1.00 0.00 N ATOM 265 CA PHE A 92 -5.602 5.946 6.635 1.00 0.00 C ATOM 266 C PHE A 92 -5.572 7.138 5.671 1.00 0.00 C ATOM 267 O PHE A 92 -5.488 8.278 6.083 1.00 0.00 O ATOM 268 CB PHE A 92 -4.238 5.295 6.727 1.00 0.00 C ATOM 269 CG PHE A 92 -4.355 4.118 7.661 1.00 0.00 C ATOM 270 CD1 PHE A 92 -5.036 2.963 7.257 1.00 0.00 C ATOM 271 CD2 PHE A 92 -3.785 4.185 8.932 1.00 0.00 C ATOM 272 CE1 PHE A 92 -5.143 1.873 8.129 1.00 0.00 C ATOM 273 CE2 PHE A 92 -3.889 3.095 9.806 1.00 0.00 C ATOM 274 CZ PHE A 92 -4.568 1.939 9.404 1.00 0.00 C ATOM 0 H PHE A 92 -6.217 4.355 5.368 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.906 6.322 7.612 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.902 4.970 5.742 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.499 6.006 7.098 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.479 2.913 6.273 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.263 5.078 9.243 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.669 0.982 7.819 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.445 3.147 10.789 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.648 1.098 10.077 1.00 0.00 H new ATOM 284 N ASP A 93 -5.647 6.887 4.387 1.00 0.00 N ATOM 285 CA ASP A 93 -5.633 8.003 3.403 1.00 0.00 C ATOM 286 C ASP A 93 -7.012 8.125 2.750 1.00 0.00 C ATOM 287 O ASP A 93 -7.127 8.421 1.578 1.00 0.00 O ATOM 288 CB ASP A 93 -4.583 7.720 2.323 1.00 0.00 C ATOM 289 CG ASP A 93 -3.486 8.784 2.395 1.00 0.00 C ATOM 290 OD1 ASP A 93 -3.179 9.216 3.494 1.00 0.00 O ATOM 291 OD2 ASP A 93 -2.974 9.152 1.352 1.00 0.00 O ATOM 0 H ASP A 93 -5.717 5.954 3.981 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.388 8.934 3.915 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.154 6.728 2.467 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.048 7.726 1.337 1.00 0.00 H new ATOM 337 N ASN A 97 -4.658 11.724 1.051 1.00 0.00 N ATOM 338 CA ASN A 97 -4.043 12.028 -0.277 1.00 0.00 C ATOM 339 C ASN A 97 -3.725 10.739 -1.041 1.00 0.00 C ATOM 340 O ASN A 97 -2.972 10.752 -1.995 1.00 0.00 O ATOM 341 CB ASN A 97 -2.750 12.817 -0.063 1.00 0.00 C ATOM 342 CG ASN A 97 -3.085 14.288 0.195 1.00 0.00 C ATOM 343 OD1 ASN A 97 -2.993 14.757 1.311 1.00 0.00 O ATOM 344 ND2 ASN A 97 -3.473 15.040 -0.800 1.00 0.00 N ATOM 0 HA ASN A 97 -4.752 12.613 -0.863 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.196 12.406 0.781 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.108 12.728 -0.939 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.699 16.022 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.550 14.646 -1.737 1.00 0.00 H new ATOM 351 N GLY A 98 -4.280 9.629 -0.642 1.00 0.00 N ATOM 352 CA GLY A 98 -3.991 8.359 -1.356 1.00 0.00 C ATOM 353 C GLY A 98 -2.727 7.732 -0.767 1.00 0.00 C ATOM 354 O GLY A 98 -2.736 6.610 -0.301 1.00 0.00 O ATOM 0 H GLY A 98 -4.921 9.548 0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.832 7.673 -1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.856 8.548 -2.421 1.00 0.00 H new ATOM 358 N TYR A 99 -1.646 8.461 -0.782 1.00 0.00 N ATOM 359 CA TYR A 99 -0.366 7.934 -0.231 1.00 0.00 C ATOM 360 C TYR A 99 -0.387 8.000 1.289 1.00 0.00 C ATOM 361 O TYR A 99 -0.705 9.012 1.881 1.00 0.00 O ATOM 362 CB TYR A 99 0.801 8.776 -0.767 1.00 0.00 C ATOM 363 CG TYR A 99 0.890 10.081 -0.008 1.00 0.00 C ATOM 364 CD1 TYR A 99 1.512 10.120 1.245 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.351 11.249 -0.559 1.00 0.00 C ATOM 366 CE1 TYR A 99 1.596 11.326 1.948 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.435 12.457 0.144 1.00 0.00 C ATOM 368 CZ TYR A 99 1.057 12.496 1.397 1.00 0.00 C ATOM 369 OH TYR A 99 1.140 13.686 2.091 1.00 0.00 O ATOM 0 H TYR A 99 -1.594 9.409 -1.156 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.242 6.896 -0.539 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.735 8.223 -0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.660 8.973 -1.830 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.927 9.218 1.669 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.129 11.219 -1.526 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.076 11.355 2.915 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.020 13.359 -0.281 1.00 0.00 H new ATOM 0 HH TYR A 99 0.718 14.400 1.568 1.00 0.00 H new ATOM 379 N ILE A 100 -0.038 6.920 1.922 1.00 0.00 N ATOM 380 CA ILE A 100 -0.017 6.901 3.401 1.00 0.00 C ATOM 381 C ILE A 100 1.426 6.688 3.869 1.00 0.00 C ATOM 382 O ILE A 100 2.323 6.511 3.068 1.00 0.00 O ATOM 383 CB ILE A 100 -0.934 5.790 3.928 1.00 0.00 C ATOM 384 CG1 ILE A 100 -1.209 4.741 2.827 1.00 0.00 C ATOM 385 CG2 ILE A 100 -2.253 6.427 4.374 1.00 0.00 C ATOM 386 CD1 ILE A 100 -2.309 3.778 3.283 1.00 0.00 C ATOM 0 H ILE A 100 0.235 6.046 1.473 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.385 7.850 3.792 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.451 5.285 4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.510 5.239 1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.297 4.186 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.921 5.653 4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.058 7.155 5.161 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.721 6.927 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.496 3.042 2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.992 3.268 4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.223 4.337 3.481 1.00 0.00 H new ATOM 398 N SER A 101 1.667 6.730 5.149 1.00 0.00 N ATOM 399 CA SER A 101 3.064 6.557 5.645 1.00 0.00 C ATOM 400 C SER A 101 3.422 5.074 5.718 1.00 0.00 C ATOM 401 O SER A 101 2.599 4.212 5.481 1.00 0.00 O ATOM 402 CB SER A 101 3.178 7.170 7.040 1.00 0.00 C ATOM 403 OG SER A 101 4.522 7.063 7.491 1.00 0.00 O ATOM 0 H SER A 101 0.962 6.876 5.872 1.00 0.00 H new ATOM 0 HA SER A 101 3.749 7.053 4.958 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.872 8.216 7.016 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.508 6.658 7.731 1.00 0.00 H new ATOM 0 HG SER A 101 4.599 7.457 8.385 1.00 0.00 H new ATOM 409 N ALA A 102 4.647 4.772 6.059 1.00 0.00 N ATOM 410 CA ALA A 102 5.059 3.346 6.168 1.00 0.00 C ATOM 411 C ALA A 102 4.330 2.730 7.356 1.00 0.00 C ATOM 412 O ALA A 102 4.019 1.558 7.367 1.00 0.00 O ATOM 413 CB ALA A 102 6.571 3.258 6.386 1.00 0.00 C ATOM 0 H ALA A 102 5.378 5.452 6.266 1.00 0.00 H new ATOM 0 HA ALA A 102 4.808 2.811 5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.867 2.212 6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.087 3.719 5.544 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.837 3.781 7.305 1.00 0.00 H new ATOM 419 N ALA A 103 4.033 3.521 8.350 1.00 0.00 N ATOM 420 CA ALA A 103 3.297 2.983 9.521 1.00 0.00 C ATOM 421 C ALA A 103 1.928 2.516 9.038 1.00 0.00 C ATOM 422 O ALA A 103 1.268 1.717 9.672 1.00 0.00 O ATOM 423 CB ALA A 103 3.126 4.080 10.574 1.00 0.00 C ATOM 0 H ALA A 103 4.268 4.512 8.399 1.00 0.00 H new ATOM 0 HA ALA A 103 3.847 2.155 9.968 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.585 3.680 11.432 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.106 4.432 10.895 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.565 4.911 10.146 1.00 0.00 H new ATOM 429 N GLU A 104 1.501 3.008 7.906 1.00 0.00 N ATOM 430 CA GLU A 104 0.184 2.591 7.365 1.00 0.00 C ATOM 431 C GLU A 104 0.319 1.225 6.702 1.00 0.00 C ATOM 432 O GLU A 104 -0.419 0.311 6.994 1.00 0.00 O ATOM 433 CB GLU A 104 -0.299 3.599 6.322 1.00 0.00 C ATOM 434 CG GLU A 104 -1.791 3.806 6.501 1.00 0.00 C ATOM 435 CD GLU A 104 -2.482 2.452 6.407 1.00 0.00 C ATOM 436 OE1 GLU A 104 -2.606 1.801 7.433 1.00 0.00 O ATOM 437 OE2 GLU A 104 -2.879 2.084 5.315 1.00 0.00 O ATOM 0 H GLU A 104 2.011 3.682 7.335 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.534 2.543 8.183 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.230 4.545 6.437 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.086 3.235 5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.996 4.270 7.466 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.174 4.481 5.735 1.00 0.00 H new ATOM 444 N LEU A 105 1.252 1.083 5.802 1.00 0.00 N ATOM 445 CA LEU A 105 1.428 -0.223 5.115 1.00 0.00 C ATOM 446 C LEU A 105 1.689 -1.322 6.147 1.00 0.00 C ATOM 447 O LEU A 105 1.234 -2.439 6.007 1.00 0.00 O ATOM 448 CB LEU A 105 2.603 -0.132 4.148 1.00 0.00 C ATOM 449 CG LEU A 105 2.142 -0.593 2.769 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.884 0.196 1.690 1.00 0.00 C ATOM 451 CD2 LEU A 105 2.437 -2.086 2.610 1.00 0.00 C ATOM 0 H LEU A 105 1.900 1.816 5.514 1.00 0.00 H new ATOM 0 HA LEU A 105 0.521 -0.466 4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.973 0.892 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.428 -0.753 4.497 1.00 0.00 H new ATOM 0 HG LEU A 105 1.071 -0.421 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.553 -0.135 0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.672 1.259 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.956 0.027 1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.109 -2.419 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.508 -2.258 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.904 -2.646 3.379 1.00 0.00 H new ATOM 463 N ARG A 106 2.424 -1.018 7.181 1.00 0.00 N ATOM 464 CA ARG A 106 2.717 -2.048 8.219 1.00 0.00 C ATOM 465 C ARG A 106 1.432 -2.425 8.962 1.00 0.00 C ATOM 466 O ARG A 106 1.237 -3.556 9.358 1.00 0.00 O ATOM 467 CB ARG A 106 3.745 -1.477 9.204 1.00 0.00 C ATOM 468 CG ARG A 106 3.058 -0.642 10.291 1.00 0.00 C ATOM 469 CD ARG A 106 2.600 -1.556 11.429 1.00 0.00 C ATOM 470 NE ARG A 106 3.282 -1.155 12.693 1.00 0.00 N ATOM 471 CZ ARG A 106 2.662 -0.402 13.559 1.00 0.00 C ATOM 472 NH1 ARG A 106 1.523 -0.790 14.066 1.00 0.00 N ATOM 473 NH2 ARG A 106 3.179 0.741 13.918 1.00 0.00 N ATOM 0 H ARG A 106 2.835 -0.100 7.353 1.00 0.00 H new ATOM 0 HA ARG A 106 3.118 -2.944 7.746 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.304 -2.291 9.665 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.465 -0.860 8.667 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.745 0.113 10.672 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.203 -0.112 9.871 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.519 -1.490 11.550 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.832 -2.594 11.192 1.00 0.00 H new ATOM 0 HE ARG A 106 4.234 -1.470 12.881 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.117 -1.683 13.785 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.039 -0.200 14.743 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.068 1.046 13.521 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.694 1.330 14.595 1.00 0.00 H new ATOM 487 N HIS A 107 0.571 -1.474 9.165 1.00 0.00 N ATOM 488 CA HIS A 107 -0.701 -1.752 9.901 1.00 0.00 C ATOM 489 C HIS A 107 -1.722 -2.432 8.985 1.00 0.00 C ATOM 490 O HIS A 107 -2.600 -3.136 9.442 1.00 0.00 O ATOM 491 CB HIS A 107 -1.298 -0.432 10.407 1.00 0.00 C ATOM 492 CG HIS A 107 -2.650 -0.689 11.017 1.00 0.00 C ATOM 493 ND1 HIS A 107 -3.830 -1.161 10.486 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 -2.913 -0.443 12.356 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 -4.803 -1.207 11.479 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 -4.199 -0.763 12.584 1.00 0.00 N flip ATOM 0 H HIS A 107 0.688 -0.510 8.854 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.475 -2.414 10.737 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.635 0.019 11.145 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.388 0.277 9.584 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -3.969 -1.435 9.513 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.212 -0.063 13.084 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -5.828 -1.532 11.378 1.00 0.00 H new ATOM 504 N VAL A 108 -1.640 -2.214 7.703 1.00 0.00 N ATOM 505 CA VAL A 108 -2.639 -2.828 6.784 1.00 0.00 C ATOM 506 C VAL A 108 -2.098 -4.096 6.141 1.00 0.00 C ATOM 507 O VAL A 108 -2.675 -5.143 6.293 1.00 0.00 O ATOM 508 CB VAL A 108 -3.014 -1.823 5.702 1.00 0.00 C ATOM 509 CG1 VAL A 108 -4.324 -2.256 5.046 1.00 0.00 C ATOM 510 CG2 VAL A 108 -3.192 -0.448 6.348 1.00 0.00 C ATOM 0 H VAL A 108 -0.928 -1.640 7.252 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.520 -3.097 7.367 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.231 -1.776 4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.597 -1.540 4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.199 -3.243 4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.112 -2.294 5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.461 0.281 5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.983 -0.497 7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.259 -0.147 6.825 1.00 0.00 H new ATOM 520 N MET A 109 -1.028 -4.029 5.400 1.00 0.00 N ATOM 521 CA MET A 109 -0.533 -5.275 4.749 1.00 0.00 C ATOM 522 C MET A 109 -0.459 -6.427 5.760 1.00 0.00 C ATOM 523 O MET A 109 -0.435 -7.579 5.383 1.00 0.00 O ATOM 524 CB MET A 109 0.861 -5.054 4.155 1.00 0.00 C ATOM 525 CG MET A 109 0.817 -5.115 2.620 1.00 0.00 C ATOM 526 SD MET A 109 -0.248 -6.463 2.048 1.00 0.00 S ATOM 527 CE MET A 109 0.125 -6.297 0.292 1.00 0.00 C ATOM 0 H MET A 109 -0.484 -3.185 5.219 1.00 0.00 H new ATOM 0 HA MET A 109 -1.235 -5.532 3.956 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.248 -4.086 4.474 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.547 -5.812 4.534 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.451 -4.167 2.226 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.825 -5.254 2.230 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.392 -7.078 -0.265 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.207 -5.320 -0.060 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.200 -6.392 0.138 1.00 0.00 H new ATOM 537 N THR A 110 -0.417 -6.140 7.032 1.00 0.00 N ATOM 538 CA THR A 110 -0.335 -7.244 8.039 1.00 0.00 C ATOM 539 C THR A 110 -1.736 -7.798 8.333 1.00 0.00 C ATOM 540 O THR A 110 -1.961 -8.449 9.334 1.00 0.00 O ATOM 541 CB THR A 110 0.278 -6.709 9.330 1.00 0.00 C ATOM 542 OG1 THR A 110 0.395 -7.765 10.272 1.00 0.00 O ATOM 543 CG2 THR A 110 -0.622 -5.615 9.891 1.00 0.00 C ATOM 0 H THR A 110 -0.436 -5.197 7.419 1.00 0.00 H new ATOM 0 HA THR A 110 0.287 -8.044 7.638 1.00 0.00 H new ATOM 0 HB THR A 110 1.268 -6.300 9.128 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.397 -8.340 10.219 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.191 -5.227 10.814 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.710 -4.808 9.164 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.610 -6.027 10.097 1.00 0.00 H new ATOM 551 N ASN A 111 -2.673 -7.559 7.458 1.00 0.00 N ATOM 552 CA ASN A 111 -4.051 -8.079 7.655 1.00 0.00 C ATOM 553 C ASN A 111 -4.655 -8.337 6.276 1.00 0.00 C ATOM 554 O ASN A 111 -5.300 -9.341 6.049 1.00 0.00 O ATOM 555 CB ASN A 111 -4.935 -7.078 8.426 1.00 0.00 C ATOM 556 CG ASN A 111 -4.216 -5.740 8.660 1.00 0.00 C ATOM 557 OD1 ASN A 111 -3.033 -5.701 8.930 1.00 0.00 O ATOM 558 ND2 ASN A 111 -4.903 -4.630 8.586 1.00 0.00 N ATOM 0 H ASN A 111 -2.538 -7.018 6.604 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.005 -8.994 8.245 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.856 -6.903 7.869 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -5.220 -7.510 9.385 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.445 -3.734 8.755 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.897 -4.660 8.359 1.00 0.00 H new ATOM 565 N LEU A 112 -4.436 -7.442 5.346 1.00 0.00 N ATOM 566 CA LEU A 112 -4.982 -7.645 3.973 1.00 0.00 C ATOM 567 C LEU A 112 -4.770 -9.099 3.558 1.00 0.00 C ATOM 568 O LEU A 112 -5.690 -9.894 3.530 1.00 0.00 O ATOM 569 CB LEU A 112 -4.248 -6.735 2.976 1.00 0.00 C ATOM 570 CG LEU A 112 -4.503 -5.246 3.276 1.00 0.00 C ATOM 571 CD1 LEU A 112 -4.650 -4.492 1.954 1.00 0.00 C ATOM 572 CD2 LEU A 112 -5.785 -5.067 4.103 1.00 0.00 C ATOM 0 H LEU A 112 -3.904 -6.582 5.479 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.045 -7.403 3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.178 -6.937 3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.577 -6.964 1.962 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.662 -4.854 3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.831 -3.436 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.735 -4.599 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.489 -4.903 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.944 -4.007 4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.635 -5.463 3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.687 -5.603 5.047 1.00 0.00 H new ATOM 584 N GLY A 113 -3.559 -9.447 3.231 1.00 0.00 N ATOM 585 CA GLY A 113 -3.268 -10.847 2.812 1.00 0.00 C ATOM 586 C GLY A 113 -1.777 -11.146 2.995 1.00 0.00 C ATOM 587 O GLY A 113 -1.396 -12.242 3.357 1.00 0.00 O ATOM 0 H GLY A 113 -2.754 -8.821 3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -3.863 -11.544 3.403 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.551 -10.990 1.769 1.00 0.00 H new ATOM 591 N GLU A 114 -0.925 -10.186 2.742 1.00 0.00 N ATOM 592 CA GLU A 114 0.538 -10.432 2.901 1.00 0.00 C ATOM 593 C GLU A 114 0.820 -10.966 4.305 1.00 0.00 C ATOM 594 O GLU A 114 1.580 -11.898 4.481 1.00 0.00 O ATOM 595 CB GLU A 114 1.310 -9.131 2.688 1.00 0.00 C ATOM 596 CG GLU A 114 1.342 -8.801 1.193 1.00 0.00 C ATOM 597 CD GLU A 114 1.897 -9.997 0.417 1.00 0.00 C ATOM 598 OE1 GLU A 114 2.780 -10.658 0.937 1.00 0.00 O ATOM 599 OE2 GLU A 114 1.428 -10.230 -0.685 1.00 0.00 O ATOM 0 H GLU A 114 -1.178 -9.247 2.434 1.00 0.00 H new ATOM 0 HA GLU A 114 0.858 -11.166 2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.837 -8.319 3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 114 2.325 -9.230 3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.339 -8.560 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.961 -7.921 1.017 1.00 0.00 H new ATOM 606 N LYS A 115 0.215 -10.379 5.305 1.00 0.00 N ATOM 607 CA LYS A 115 0.444 -10.839 6.705 1.00 0.00 C ATOM 608 C LYS A 115 1.924 -11.176 6.895 1.00 0.00 C ATOM 609 O LYS A 115 2.318 -12.326 6.871 1.00 0.00 O ATOM 610 CB LYS A 115 -0.410 -12.080 6.985 1.00 0.00 C ATOM 611 CG LYS A 115 -0.666 -12.197 8.490 1.00 0.00 C ATOM 612 CD LYS A 115 -0.545 -13.662 8.917 1.00 0.00 C ATOM 613 CE LYS A 115 0.931 -14.024 9.078 1.00 0.00 C ATOM 614 NZ LYS A 115 1.087 -14.981 10.210 1.00 0.00 N ATOM 0 H LYS A 115 -0.432 -9.596 5.210 1.00 0.00 H new ATOM 0 HA LYS A 115 0.162 -10.047 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -1.357 -12.011 6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 115 0.098 -12.973 6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 115 0.050 -11.587 9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.659 -11.818 8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -1.075 -13.823 9.856 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -1.010 -14.309 8.173 1.00 0.00 H new ATOM 0 HE2 LYS A 115 1.310 -14.468 8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 115 1.519 -13.125 9.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 2.091 -15.228 10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 0.740 -14.541 11.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 0.538 -15.843 10.014 1.00 0.00 H new ATOM 628 N LEU A 116 2.746 -10.180 7.082 1.00 0.00 N ATOM 629 CA LEU A 116 4.198 -10.435 7.273 1.00 0.00 C ATOM 630 C LEU A 116 4.626 -9.852 8.625 1.00 0.00 C ATOM 631 O LEU A 116 4.096 -10.215 9.657 1.00 0.00 O ATOM 632 CB LEU A 116 4.973 -9.764 6.131 1.00 0.00 C ATOM 633 CG LEU A 116 4.560 -8.291 6.029 1.00 0.00 C ATOM 634 CD1 LEU A 116 5.684 -7.488 5.376 1.00 0.00 C ATOM 635 CD2 LEU A 116 3.294 -8.171 5.182 1.00 0.00 C ATOM 0 H LEU A 116 2.472 -9.198 7.110 1.00 0.00 H new ATOM 0 HA LEU A 116 4.406 -11.505 7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 116 6.045 -9.840 6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.770 -10.276 5.190 1.00 0.00 H new ATOM 0 HG LEU A 116 4.367 -7.901 7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.389 -6.441 5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.588 -7.570 5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.878 -7.880 4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.002 -7.123 5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.486 -8.563 4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.490 -8.741 5.647 1.00 0.00 H new ATOM 647 N THR A 117 5.567 -8.948 8.634 1.00 0.00 N ATOM 648 CA THR A 117 6.011 -8.340 9.916 1.00 0.00 C ATOM 649 C THR A 117 6.012 -6.820 9.756 1.00 0.00 C ATOM 650 O THR A 117 5.781 -6.307 8.678 1.00 0.00 O ATOM 651 CB THR A 117 7.425 -8.826 10.243 1.00 0.00 C ATOM 652 OG1 THR A 117 7.874 -9.683 9.201 1.00 0.00 O ATOM 653 CG2 THR A 117 7.411 -9.589 11.571 1.00 0.00 C ATOM 0 H THR A 117 6.049 -8.604 7.803 1.00 0.00 H new ATOM 0 HA THR A 117 5.339 -8.628 10.725 1.00 0.00 H new ATOM 0 HB THR A 117 8.097 -7.973 10.330 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.780 -9.997 9.403 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.418 -9.935 11.803 1.00 0.00 H new ATOM 0 HG22 THR A 117 7.062 -8.930 12.366 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.743 -10.446 11.491 1.00 0.00 H new ATOM 661 N ASP A 118 6.270 -6.089 10.803 1.00 0.00 N ATOM 662 CA ASP A 118 6.284 -4.606 10.674 1.00 0.00 C ATOM 663 C ASP A 118 7.637 -4.168 10.108 1.00 0.00 C ATOM 664 O ASP A 118 7.737 -3.176 9.414 1.00 0.00 O ATOM 665 CB ASP A 118 6.067 -3.965 12.045 1.00 0.00 C ATOM 666 CG ASP A 118 4.720 -4.418 12.612 1.00 0.00 C ATOM 667 OD1 ASP A 118 4.588 -5.596 12.903 1.00 0.00 O ATOM 668 OD2 ASP A 118 3.847 -3.579 12.748 1.00 0.00 O ATOM 0 H ASP A 118 6.470 -6.450 11.736 1.00 0.00 H new ATOM 0 HA ASP A 118 5.485 -4.289 10.004 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.873 -4.248 12.722 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.090 -2.879 11.958 1.00 0.00 H new ATOM 673 N GLU A 119 8.677 -4.908 10.387 1.00 0.00 N ATOM 674 CA GLU A 119 10.013 -4.539 9.845 1.00 0.00 C ATOM 675 C GLU A 119 10.112 -5.051 8.412 1.00 0.00 C ATOM 676 O GLU A 119 10.876 -4.552 7.611 1.00 0.00 O ATOM 677 CB GLU A 119 11.115 -5.173 10.699 1.00 0.00 C ATOM 678 CG GLU A 119 10.978 -6.697 10.667 1.00 0.00 C ATOM 679 CD GLU A 119 12.319 -7.322 10.276 1.00 0.00 C ATOM 680 OE1 GLU A 119 13.157 -7.475 11.148 1.00 0.00 O ATOM 681 OE2 GLU A 119 12.483 -7.639 9.108 1.00 0.00 O ATOM 0 H GLU A 119 8.658 -5.748 10.965 1.00 0.00 H new ATOM 0 HA GLU A 119 10.136 -3.456 9.864 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.095 -4.878 10.323 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.046 -4.813 11.726 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.664 -7.065 11.644 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.207 -6.989 9.954 1.00 0.00 H new ATOM 688 N GLU A 120 9.325 -6.039 8.082 1.00 0.00 N ATOM 689 CA GLU A 120 9.345 -6.585 6.699 1.00 0.00 C ATOM 690 C GLU A 120 8.530 -5.654 5.801 1.00 0.00 C ATOM 691 O GLU A 120 8.923 -5.327 4.701 1.00 0.00 O ATOM 692 CB GLU A 120 8.715 -7.982 6.694 1.00 0.00 C ATOM 693 CG GLU A 120 8.554 -8.469 5.252 1.00 0.00 C ATOM 694 CD GLU A 120 9.912 -8.923 4.715 1.00 0.00 C ATOM 695 OE1 GLU A 120 10.459 -9.865 5.264 1.00 0.00 O ATOM 696 OE2 GLU A 120 10.383 -8.320 3.765 1.00 0.00 O ATOM 0 H GLU A 120 8.667 -6.492 8.716 1.00 0.00 H new ATOM 0 HA GLU A 120 10.370 -6.654 6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 120 9.341 -8.676 7.255 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.745 -7.956 7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.841 -9.292 5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.153 -7.670 4.629 1.00 0.00 H new ATOM 703 N VAL A 121 7.392 -5.226 6.276 1.00 0.00 N ATOM 704 CA VAL A 121 6.536 -4.311 5.469 1.00 0.00 C ATOM 705 C VAL A 121 7.192 -2.928 5.385 1.00 0.00 C ATOM 706 O VAL A 121 7.275 -2.333 4.328 1.00 0.00 O ATOM 707 CB VAL A 121 5.153 -4.181 6.125 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.295 -3.914 7.627 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.388 -3.026 5.475 1.00 0.00 C ATOM 0 H VAL A 121 7.017 -5.472 7.192 1.00 0.00 H new ATOM 0 HA VAL A 121 6.424 -4.721 4.465 1.00 0.00 H new ATOM 0 HB VAL A 121 4.608 -5.114 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.306 -3.825 8.076 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.832 -4.739 8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.848 -2.988 7.781 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.406 -2.933 5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.944 -2.099 5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.268 -3.223 4.410 1.00 0.00 H new ATOM 719 N ASP A 122 7.651 -2.409 6.489 1.00 0.00 N ATOM 720 CA ASP A 122 8.292 -1.064 6.474 1.00 0.00 C ATOM 721 C ASP A 122 9.505 -1.071 5.540 1.00 0.00 C ATOM 722 O ASP A 122 9.645 -0.221 4.684 1.00 0.00 O ATOM 723 CB ASP A 122 8.746 -0.702 7.889 1.00 0.00 C ATOM 724 CG ASP A 122 7.660 0.128 8.578 1.00 0.00 C ATOM 725 OD1 ASP A 122 6.495 -0.156 8.353 1.00 0.00 O ATOM 726 OD2 ASP A 122 8.012 1.033 9.317 1.00 0.00 O ATOM 0 H ASP A 122 7.610 -2.859 7.403 1.00 0.00 H new ATOM 0 HA ASP A 122 7.570 -0.329 6.118 1.00 0.00 H new ATOM 0 HB2 ASP A 122 8.944 -1.608 8.462 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.679 -0.139 7.850 1.00 0.00 H new ATOM 731 N GLU A 123 10.388 -2.017 5.700 1.00 0.00 N ATOM 732 CA GLU A 123 11.591 -2.065 4.822 1.00 0.00 C ATOM 733 C GLU A 123 11.157 -2.269 3.370 1.00 0.00 C ATOM 734 O GLU A 123 11.677 -1.649 2.464 1.00 0.00 O ATOM 735 CB GLU A 123 12.498 -3.219 5.254 1.00 0.00 C ATOM 736 CG GLU A 123 13.800 -2.655 5.828 1.00 0.00 C ATOM 737 CD GLU A 123 13.531 -2.060 7.212 1.00 0.00 C ATOM 738 OE1 GLU A 123 13.547 -2.813 8.171 1.00 0.00 O ATOM 739 OE2 GLU A 123 13.314 -0.862 7.287 1.00 0.00 O ATOM 0 H GLU A 123 10.329 -2.758 6.399 1.00 0.00 H new ATOM 0 HA GLU A 123 12.138 -1.126 4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.994 -3.832 6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 123 12.713 -3.865 4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.550 -3.443 5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 123 14.202 -1.890 5.163 1.00 0.00 H new ATOM 746 N MET A 124 10.202 -3.127 3.139 1.00 0.00 N ATOM 747 CA MET A 124 9.733 -3.360 1.745 1.00 0.00 C ATOM 748 C MET A 124 9.115 -2.071 1.204 1.00 0.00 C ATOM 749 O MET A 124 8.952 -1.897 0.013 1.00 0.00 O ATOM 750 CB MET A 124 8.682 -4.471 1.742 1.00 0.00 C ATOM 751 CG MET A 124 8.137 -4.648 0.325 1.00 0.00 C ATOM 752 SD MET A 124 9.465 -5.213 -0.766 1.00 0.00 S ATOM 753 CE MET A 124 10.013 -6.609 0.248 1.00 0.00 C ATOM 0 H MET A 124 9.727 -3.676 3.855 1.00 0.00 H new ATOM 0 HA MET A 124 10.573 -3.656 1.117 1.00 0.00 H new ATOM 0 HB2 MET A 124 9.122 -5.404 2.094 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.872 -4.222 2.427 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.320 -5.370 0.326 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.729 -3.705 -0.039 1.00 0.00 H new ATOM 0 HE1 MET A 124 10.465 -7.368 -0.391 1.00 0.00 H new ATOM 0 HE2 MET A 124 10.747 -6.264 0.976 1.00 0.00 H new ATOM 0 HE3 MET A 124 9.158 -7.037 0.771 1.00 0.00 H new ATOM 763 N ILE A 125 8.770 -1.166 2.077 1.00 0.00 N ATOM 764 CA ILE A 125 8.161 0.118 1.632 1.00 0.00 C ATOM 765 C ILE A 125 9.206 0.924 0.849 1.00 0.00 C ATOM 766 O ILE A 125 8.877 1.700 -0.026 1.00 0.00 O ATOM 767 CB ILE A 125 7.668 0.882 2.883 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.167 1.146 2.756 1.00 0.00 C ATOM 769 CG2 ILE A 125 8.407 2.217 3.073 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.411 0.218 3.708 1.00 0.00 C ATOM 0 H ILE A 125 8.885 -1.262 3.086 1.00 0.00 H new ATOM 0 HA ILE A 125 7.310 -0.055 0.973 1.00 0.00 H new ATOM 0 HB ILE A 125 7.875 0.261 3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.947 2.187 2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.841 0.977 1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.028 2.719 3.963 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.474 2.029 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 125 8.243 2.851 2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.340 0.402 3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.623 -0.819 3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.730 0.409 4.732 1.00 0.00 H new ATOM 782 N ARG A 126 10.460 0.744 1.158 1.00 0.00 N ATOM 783 CA ARG A 126 11.519 1.498 0.431 1.00 0.00 C ATOM 784 C ARG A 126 11.218 1.471 -1.068 1.00 0.00 C ATOM 785 O ARG A 126 11.601 2.354 -1.807 1.00 0.00 O ATOM 786 CB ARG A 126 12.879 0.844 0.690 1.00 0.00 C ATOM 787 CG ARG A 126 13.168 0.841 2.193 1.00 0.00 C ATOM 788 CD ARG A 126 14.288 -0.155 2.494 1.00 0.00 C ATOM 789 NE ARG A 126 15.318 0.507 3.341 1.00 0.00 N ATOM 790 CZ ARG A 126 16.526 0.017 3.401 1.00 0.00 C ATOM 791 NH1 ARG A 126 17.115 -0.402 2.314 1.00 0.00 N ATOM 792 NH2 ARG A 126 17.145 -0.053 4.548 1.00 0.00 N ATOM 0 H ARG A 126 10.797 0.109 1.881 1.00 0.00 H new ATOM 0 HA ARG A 126 11.540 2.530 0.782 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.882 -0.176 0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.662 1.386 0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.457 1.840 2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.269 0.572 2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.886 -1.029 3.006 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.736 -0.508 1.565 1.00 0.00 H new ATOM 0 HE ARG A 126 15.080 1.343 3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.631 -0.346 1.418 1.00 0.00 H new ATOM 0 HH12 ARG A 126 18.059 -0.785 2.361 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.685 0.275 5.397 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.089 -0.436 4.595 1.00 0.00 H new ATOM 806 N GLU A 127 10.528 0.459 -1.518 1.00 0.00 N ATOM 807 CA GLU A 127 10.193 0.364 -2.966 1.00 0.00 C ATOM 808 C GLU A 127 9.045 1.323 -3.287 1.00 0.00 C ATOM 809 O GLU A 127 9.115 2.102 -4.217 1.00 0.00 O ATOM 810 CB GLU A 127 9.764 -1.068 -3.286 1.00 0.00 C ATOM 811 CG GLU A 127 9.268 -1.147 -4.732 1.00 0.00 C ATOM 812 CD GLU A 127 10.467 -1.222 -5.680 1.00 0.00 C ATOM 813 OE1 GLU A 127 11.397 -1.947 -5.370 1.00 0.00 O ATOM 814 OE2 GLU A 127 10.434 -0.552 -6.700 1.00 0.00 O ATOM 0 H GLU A 127 10.181 -0.308 -0.943 1.00 0.00 H new ATOM 0 HA GLU A 127 11.065 0.630 -3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.602 -1.750 -3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 127 8.975 -1.383 -2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.633 -2.023 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 127 8.659 -0.274 -4.967 1.00 0.00 H new ATOM 821 N ALA A 128 7.988 1.268 -2.525 1.00 0.00 N ATOM 822 CA ALA A 128 6.833 2.172 -2.784 1.00 0.00 C ATOM 823 C ALA A 128 7.011 3.469 -1.993 1.00 0.00 C ATOM 824 O ALA A 128 7.204 4.529 -2.552 1.00 0.00 O ATOM 825 CB ALA A 128 5.542 1.479 -2.341 1.00 0.00 C ATOM 0 H ALA A 128 7.874 0.635 -1.733 1.00 0.00 H new ATOM 0 HA ALA A 128 6.780 2.402 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.693 2.137 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.415 0.553 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.597 1.253 -1.276 1.00 0.00 H new ATOM 831 N ASP A 129 6.947 3.390 -0.692 1.00 0.00 N ATOM 832 CA ASP A 129 7.110 4.613 0.142 1.00 0.00 C ATOM 833 C ASP A 129 8.539 5.144 0.002 1.00 0.00 C ATOM 834 O ASP A 129 9.497 4.471 0.328 1.00 0.00 O ATOM 835 CB ASP A 129 6.840 4.262 1.605 1.00 0.00 C ATOM 836 CG ASP A 129 5.521 4.891 2.049 1.00 0.00 C ATOM 837 OD1 ASP A 129 4.529 4.673 1.375 1.00 0.00 O ATOM 838 OD2 ASP A 129 5.524 5.579 3.057 1.00 0.00 O ATOM 0 H ASP A 129 6.788 2.528 -0.170 1.00 0.00 H new ATOM 0 HA ASP A 129 6.407 5.377 -0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 129 6.798 3.180 1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.655 4.622 2.232 1.00 0.00 H new ATOM 893 N GLY A 134 4.336 11.535 -3.164 1.00 0.00 N ATOM 894 CA GLY A 134 3.264 10.713 -2.538 1.00 0.00 C ATOM 895 C GLY A 134 3.871 9.402 -2.039 1.00 0.00 C ATOM 896 O GLY A 134 4.426 8.636 -2.801 1.00 0.00 O ATOM 0 HA2 GLY A 134 2.808 11.256 -1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.474 10.511 -3.261 1.00 0.00 H new ATOM 900 N GLN A 135 3.776 9.142 -0.764 1.00 0.00 N ATOM 901 CA GLN A 135 4.350 7.882 -0.210 1.00 0.00 C ATOM 902 C GLN A 135 3.699 6.676 -0.905 1.00 0.00 C ATOM 903 O GLN A 135 3.788 6.528 -2.107 1.00 0.00 O ATOM 904 CB GLN A 135 4.088 7.837 1.297 1.00 0.00 C ATOM 905 CG GLN A 135 4.574 9.139 1.938 1.00 0.00 C ATOM 906 CD GLN A 135 5.070 8.855 3.358 1.00 0.00 C ATOM 907 OE1 GLN A 135 5.951 8.042 3.555 1.00 0.00 O ATOM 908 NE2 GLN A 135 4.538 9.496 4.362 1.00 0.00 N ATOM 0 H GLN A 135 3.325 9.749 -0.080 1.00 0.00 H new ATOM 0 HA GLN A 135 5.425 7.848 -0.387 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.024 7.700 1.488 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.604 6.986 1.741 1.00 0.00 H new ATOM 0 HG2 GLN A 135 5.376 9.573 1.341 1.00 0.00 H new ATOM 0 HG3 GLN A 135 3.765 9.869 1.963 1.00 0.00 H new ATOM 0 HE21 GLN A 135 3.798 10.179 4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 135 4.862 9.315 5.312 1.00 0.00 H new ATOM 917 N VAL A 136 3.038 5.812 -0.177 1.00 0.00 N ATOM 918 CA VAL A 136 2.393 4.643 -0.837 1.00 0.00 C ATOM 919 C VAL A 136 0.923 4.983 -1.097 1.00 0.00 C ATOM 920 O VAL A 136 0.075 4.835 -0.239 1.00 0.00 O ATOM 921 CB VAL A 136 2.506 3.421 0.073 1.00 0.00 C ATOM 922 CG1 VAL A 136 1.938 3.752 1.455 1.00 0.00 C ATOM 923 CG2 VAL A 136 1.725 2.264 -0.548 1.00 0.00 C ATOM 0 H VAL A 136 2.919 5.866 0.835 1.00 0.00 H new ATOM 0 HA VAL A 136 2.886 4.418 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 136 3.553 3.138 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 136 2.020 2.878 2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.499 4.579 1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 136 0.890 4.035 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.800 1.387 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.678 2.547 -0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 136 2.139 2.031 -1.529 1.00 0.00 H new ATOM 933 N ASN A 137 0.625 5.483 -2.266 1.00 0.00 N ATOM 934 CA ASN A 137 -0.781 5.890 -2.577 1.00 0.00 C ATOM 935 C ASN A 137 -1.559 4.806 -3.306 1.00 0.00 C ATOM 936 O ASN A 137 -2.269 5.100 -4.241 1.00 0.00 O ATOM 937 CB ASN A 137 -0.766 7.140 -3.451 1.00 0.00 C ATOM 938 CG ASN A 137 0.186 6.958 -4.649 1.00 0.00 C ATOM 939 OD1 ASN A 137 0.655 5.770 -4.948 1.00 0.00 O flip ATOM 940 ND2 ASN A 137 0.507 7.916 -5.324 1.00 0.00 N flip ATOM 0 H ASN A 137 1.294 5.628 -3.022 1.00 0.00 H new ATOM 0 HA ASN A 137 -1.275 6.077 -1.624 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.773 7.350 -3.810 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -0.452 8.000 -2.859 1.00 0.00 H new ATOM 0 HD21 ASN A 137 0.146 8.843 -5.098 1.00 0.00 H new ATOM 0 HD22 ASN A 137 1.137 7.793 -6.117 1.00 0.00 H new ATOM 947 N TYR A 138 -1.465 3.579 -2.884 1.00 0.00 N ATOM 948 CA TYR A 138 -2.241 2.506 -3.568 1.00 0.00 C ATOM 949 C TYR A 138 -1.579 2.150 -4.891 1.00 0.00 C ATOM 950 O TYR A 138 -0.984 1.106 -5.026 1.00 0.00 O ATOM 951 CB TYR A 138 -3.661 2.999 -3.816 1.00 0.00 C ATOM 952 CG TYR A 138 -4.142 3.690 -2.570 1.00 0.00 C ATOM 953 CD1 TYR A 138 -3.815 3.154 -1.325 1.00 0.00 C ATOM 954 CD2 TYR A 138 -4.922 4.844 -2.653 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.272 3.765 -0.156 1.00 0.00 C ATOM 956 CE2 TYR A 138 -5.378 5.461 -1.483 1.00 0.00 C ATOM 957 CZ TYR A 138 -5.056 4.920 -0.234 1.00 0.00 C ATOM 958 OH TYR A 138 -5.507 5.528 0.920 1.00 0.00 O ATOM 0 H TYR A 138 -0.889 3.271 -2.100 1.00 0.00 H new ATOM 0 HA TYR A 138 -2.267 1.617 -2.938 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.683 3.684 -4.663 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -4.316 2.164 -4.064 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -3.207 2.264 -1.265 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -5.173 5.260 -3.618 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -4.020 3.346 0.807 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -5.979 6.356 -1.544 1.00 0.00 H new ATOM 0 HH TYR A 138 -6.231 6.151 0.700 1.00 0.00 H new ATOM 968 N GLU A 139 -1.673 3.000 -5.873 1.00 0.00 N ATOM 969 CA GLU A 139 -1.036 2.682 -7.169 1.00 0.00 C ATOM 970 C GLU A 139 0.385 2.189 -6.893 1.00 0.00 C ATOM 971 O GLU A 139 0.935 1.387 -7.622 1.00 0.00 O ATOM 972 CB GLU A 139 -0.991 3.934 -8.048 1.00 0.00 C ATOM 973 CG GLU A 139 -2.364 4.606 -8.050 1.00 0.00 C ATOM 974 CD GLU A 139 -2.888 4.694 -9.485 1.00 0.00 C ATOM 975 OE1 GLU A 139 -2.637 3.771 -10.243 1.00 0.00 O ATOM 976 OE2 GLU A 139 -3.531 5.681 -9.801 1.00 0.00 O ATOM 0 H GLU A 139 -2.161 3.895 -5.831 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.607 1.914 -7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -0.236 4.626 -7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.704 3.667 -9.065 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -3.059 4.038 -7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -2.293 5.603 -7.616 1.00 0.00 H new ATOM 983 N GLU A 140 0.971 2.654 -5.820 1.00 0.00 N ATOM 984 CA GLU A 140 2.344 2.213 -5.456 1.00 0.00 C ATOM 985 C GLU A 140 2.231 1.069 -4.444 1.00 0.00 C ATOM 986 O GLU A 140 3.072 0.196 -4.370 1.00 0.00 O ATOM 987 CB GLU A 140 3.105 3.381 -4.824 1.00 0.00 C ATOM 988 CG GLU A 140 4.490 3.497 -5.466 1.00 0.00 C ATOM 989 CD GLU A 140 4.531 4.729 -6.371 1.00 0.00 C ATOM 990 OE1 GLU A 140 3.634 4.872 -7.186 1.00 0.00 O ATOM 991 OE2 GLU A 140 5.458 5.510 -6.232 1.00 0.00 O ATOM 0 H GLU A 140 0.551 3.326 -5.177 1.00 0.00 H new ATOM 0 HA GLU A 140 2.880 1.878 -6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 140 2.549 4.308 -4.963 1.00 0.00 H new ATOM 0 HB3 GLU A 140 3.203 3.226 -3.749 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.255 3.574 -4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 140 4.711 2.600 -6.045 1.00 0.00 H new ATOM 998 N PHE A 141 1.181 1.078 -3.670 1.00 0.00 N ATOM 999 CA PHE A 141 0.963 0.008 -2.651 1.00 0.00 C ATOM 1000 C PHE A 141 0.798 -1.343 -3.351 1.00 0.00 C ATOM 1001 O PHE A 141 1.012 -2.383 -2.766 1.00 0.00 O ATOM 1002 CB PHE A 141 -0.322 0.329 -1.883 1.00 0.00 C ATOM 1003 CG PHE A 141 -0.523 -0.647 -0.748 1.00 0.00 C ATOM 1004 CD1 PHE A 141 0.492 -1.536 -0.384 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -1.739 -0.661 -0.060 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.291 -2.435 0.662 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -1.945 -1.559 0.986 1.00 0.00 C ATOM 1008 CZ PHE A 141 -0.932 -2.450 1.350 1.00 0.00 C ATOM 0 H PHE A 141 0.453 1.792 -3.700 1.00 0.00 H new ATOM 0 HA PHE A 141 1.815 -0.038 -1.973 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -0.273 1.345 -1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.176 0.289 -2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.433 -1.526 -0.914 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.523 0.027 -0.340 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.077 -3.120 0.943 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.887 -1.566 1.515 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.090 -3.148 2.159 1.00 0.00 H new ATOM 1018 N VAL A 142 0.416 -1.338 -4.597 1.00 0.00 N ATOM 1019 CA VAL A 142 0.236 -2.619 -5.324 1.00 0.00 C ATOM 1020 C VAL A 142 1.608 -3.254 -5.545 1.00 0.00 C ATOM 1021 O VAL A 142 1.738 -4.457 -5.648 1.00 0.00 O ATOM 1022 CB VAL A 142 -0.445 -2.346 -6.671 1.00 0.00 C ATOM 1023 CG1 VAL A 142 0.165 -1.095 -7.308 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -0.245 -3.543 -7.605 1.00 0.00 C ATOM 0 H VAL A 142 0.221 -0.498 -5.142 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.389 -3.299 -4.745 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.512 -2.190 -6.509 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.319 -0.901 -8.265 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.017 -0.241 -6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.232 -1.251 -7.466 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -0.731 -3.344 -8.560 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.821 -3.705 -7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -0.683 -4.434 -7.154 1.00 0.00 H new ATOM 1034 N GLN A 143 2.636 -2.453 -5.597 1.00 0.00 N ATOM 1035 CA GLN A 143 4.000 -3.016 -5.784 1.00 0.00 C ATOM 1036 C GLN A 143 4.392 -3.751 -4.503 1.00 0.00 C ATOM 1037 O GLN A 143 5.354 -4.489 -4.462 1.00 0.00 O ATOM 1038 CB GLN A 143 4.994 -1.882 -6.056 1.00 0.00 C ATOM 1039 CG GLN A 143 6.422 -2.392 -5.850 1.00 0.00 C ATOM 1040 CD GLN A 143 7.353 -1.735 -6.870 1.00 0.00 C ATOM 1041 OE1 GLN A 143 8.264 -2.363 -7.371 1.00 0.00 O ATOM 1042 NE2 GLN A 143 7.161 -0.488 -7.202 1.00 0.00 N ATOM 0 H GLN A 143 2.590 -1.437 -5.518 1.00 0.00 H new ATOM 0 HA GLN A 143 4.013 -3.702 -6.631 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.872 -1.514 -7.075 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.796 -1.043 -5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.757 -2.166 -4.838 1.00 0.00 H new ATOM 0 HG3 GLN A 143 6.451 -3.476 -5.961 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.396 0.040 -6.782 1.00 0.00 H new ATOM 0 HE22 GLN A 143 7.776 -0.041 -7.882 1.00 0.00 H new ATOM 1051 N MET A 144 3.643 -3.546 -3.457 1.00 0.00 N ATOM 1052 CA MET A 144 3.942 -4.214 -2.166 1.00 0.00 C ATOM 1053 C MET A 144 3.326 -5.605 -2.193 1.00 0.00 C ATOM 1054 O MET A 144 3.991 -6.604 -2.011 1.00 0.00 O ATOM 1055 CB MET A 144 3.295 -3.420 -1.028 1.00 0.00 C ATOM 1056 CG MET A 144 4.118 -2.176 -0.678 1.00 0.00 C ATOM 1057 SD MET A 144 4.806 -1.395 -2.163 1.00 0.00 S ATOM 1058 CE MET A 144 6.351 -2.332 -2.226 1.00 0.00 C ATOM 0 H MET A 144 2.826 -2.935 -3.444 1.00 0.00 H new ATOM 0 HA MET A 144 5.020 -4.271 -2.015 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.287 -3.122 -1.317 1.00 0.00 H new ATOM 0 HB3 MET A 144 3.200 -4.055 -0.147 1.00 0.00 H new ATOM 0 HG2 MET A 144 3.490 -1.461 -0.147 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.928 -2.452 -0.003 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.183 -1.680 -1.960 1.00 0.00 H new ATOM 0 HE2 MET A 144 6.302 -3.163 -1.522 1.00 0.00 H new ATOM 0 HE3 MET A 144 6.501 -2.719 -3.234 1.00 0.00 H new ATOM 1068 N MET A 145 2.046 -5.662 -2.410 1.00 0.00 N ATOM 1069 CA MET A 145 1.357 -6.981 -2.447 1.00 0.00 C ATOM 1070 C MET A 145 2.057 -7.890 -3.461 1.00 0.00 C ATOM 1071 O MET A 145 2.029 -9.098 -3.347 1.00 0.00 O ATOM 1072 CB MET A 145 -0.120 -6.830 -2.862 1.00 0.00 C ATOM 1073 CG MET A 145 -0.382 -5.466 -3.516 1.00 0.00 C ATOM 1074 SD MET A 145 -0.880 -4.273 -2.247 1.00 0.00 S ATOM 1075 CE MET A 145 -2.260 -5.221 -1.558 1.00 0.00 C ATOM 0 H MET A 145 1.444 -4.853 -2.564 1.00 0.00 H new ATOM 0 HA MET A 145 1.399 -7.412 -1.447 1.00 0.00 H new ATOM 0 HB2 MET A 145 -0.387 -7.626 -3.557 1.00 0.00 H new ATOM 0 HB3 MET A 145 -0.759 -6.944 -1.986 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.516 -5.117 -4.026 1.00 0.00 H new ATOM 0 HG3 MET A 145 -1.163 -5.557 -4.271 1.00 0.00 H new ATOM 0 HE1 MET A 145 -2.981 -4.539 -1.107 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.745 -5.788 -2.353 1.00 0.00 H new ATOM 0 HE3 MET A 145 -1.886 -5.908 -0.799 1.00 0.00 H new ATOM 1085 N THR A 146 2.671 -7.318 -4.462 1.00 0.00 N ATOM 1086 CA THR A 146 3.355 -8.155 -5.490 1.00 0.00 C ATOM 1087 C THR A 146 4.795 -7.671 -5.691 1.00 0.00 C ATOM 1088 O THR A 146 5.377 -7.852 -6.743 1.00 0.00 O ATOM 1089 CB THR A 146 2.588 -8.049 -6.810 1.00 0.00 C ATOM 1090 OG1 THR A 146 3.436 -8.431 -7.884 1.00 0.00 O ATOM 1091 CG2 THR A 146 2.115 -6.608 -7.016 1.00 0.00 C ATOM 0 H THR A 146 2.729 -6.311 -4.612 1.00 0.00 H new ATOM 0 HA THR A 146 3.377 -9.192 -5.156 1.00 0.00 H new ATOM 0 HB THR A 146 1.722 -8.711 -6.779 1.00 0.00 H new ATOM 0 HG1 THR A 146 4.254 -8.837 -7.527 1.00 0.00 H new ATOM 0 HG21 THR A 146 1.569 -6.535 -7.957 1.00 0.00 H new ATOM 0 HG22 THR A 146 1.461 -6.319 -6.194 1.00 0.00 H new ATOM 0 HG23 THR A 146 2.978 -5.942 -7.045 1.00 0.00 H new