USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=10 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 Set 1.1: A 94 LYS NZ :NH3+ -106:sc= -1.43! (180deg=-0.0588) USER MOD Set 1.2: A 107 HIS : no HD1:sc= -1.74! K(o=-3.2!,f=-5.5) USER MOD Set 2.1: A 97 ASN : amide:sc= -3.31! C(o=-7.3!,f=-11!) USER MOD Set 2.2: A 135 GLN : amide:sc= -4.01! C(o=-7.3!,f=-10!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.266 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 99:sc= 1.27 USER MOD Single : A 111 ASN : amide:sc= -1.97! C(o=-2!,f=-4.2!) USER MOD Single : A 115 LYS NZ :NH3+ -119:sc= -1.26 (180deg=-3.46!) USER MOD Single : A 117 THR OG1 : rot -77:sc= -4.33! USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN :FLIP amide:sc= -0.0124 F(o=-1.5,f=-0.012) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.27) USER MOD Single : A 144 MET CE :methyl 176:sc= 0 (180deg=-0.0111) USER MOD Single : A 145 MET CE :methyl 169:sc= -0.011 (180deg=-0.134) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 82 7.729 13.847 -0.166 1.00 0.00 N ATOM 53 CA GLU A 82 6.501 13.721 0.608 1.00 0.00 C ATOM 54 C GLU A 82 5.289 13.642 -0.320 1.00 0.00 C ATOM 55 O GLU A 82 4.373 12.847 -0.101 1.00 0.00 O ATOM 56 CB GLU A 82 6.369 14.937 1.532 1.00 0.00 C ATOM 57 CG GLU A 82 5.127 14.794 2.416 1.00 0.00 C ATOM 58 CD GLU A 82 5.048 15.956 3.406 1.00 0.00 C ATOM 59 OE1 GLU A 82 5.761 16.930 3.211 1.00 0.00 O ATOM 60 OE2 GLU A 82 4.272 15.860 4.341 1.00 0.00 O ATOM 0 HA GLU A 82 6.541 12.806 1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.259 15.029 2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.299 15.849 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.231 14.773 1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.163 13.848 2.956 1.00 0.00 H new ATOM 67 N GLU A 83 5.294 14.483 -1.355 1.00 0.00 N ATOM 68 CA GLU A 83 4.198 14.526 -2.311 1.00 0.00 C ATOM 69 C GLU A 83 4.085 13.223 -3.106 1.00 0.00 C ATOM 70 O GLU A 83 3.008 12.632 -3.178 1.00 0.00 O ATOM 71 CB GLU A 83 4.389 15.717 -3.257 1.00 0.00 C ATOM 72 CG GLU A 83 4.166 17.017 -2.472 1.00 0.00 C ATOM 73 CD GLU A 83 4.427 18.233 -3.354 1.00 0.00 C ATOM 74 OE1 GLU A 83 4.748 18.043 -4.513 1.00 0.00 O ATOM 75 OE2 GLU A 83 4.302 19.340 -2.853 1.00 0.00 O ATOM 0 H GLU A 83 6.048 15.142 -1.549 1.00 0.00 H new ATOM 0 HA GLU A 83 3.268 14.646 -1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.392 15.702 -3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.687 15.654 -4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.144 17.048 -2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.827 17.042 -1.605 1.00 0.00 H new ATOM 82 N GLU A 84 5.187 12.754 -3.692 1.00 0.00 N ATOM 83 CA GLU A 84 5.136 11.504 -4.454 1.00 0.00 C ATOM 84 C GLU A 84 4.413 10.442 -3.630 1.00 0.00 C ATOM 85 O GLU A 84 3.462 9.823 -4.096 1.00 0.00 O ATOM 86 CB GLU A 84 6.553 11.012 -4.781 1.00 0.00 C ATOM 87 CG GLU A 84 6.479 9.813 -5.739 1.00 0.00 C ATOM 88 CD GLU A 84 6.008 10.263 -7.120 1.00 0.00 C ATOM 89 OE1 GLU A 84 5.900 11.460 -7.331 1.00 0.00 O ATOM 90 OE2 GLU A 84 5.764 9.400 -7.948 1.00 0.00 O ATOM 0 H GLU A 84 6.102 13.204 -3.657 1.00 0.00 H new ATOM 0 HA GLU A 84 4.603 11.684 -5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.132 11.817 -5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.069 10.726 -3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.459 9.341 -5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.795 9.063 -5.341 1.00 0.00 H new ATOM 97 N ILE A 85 4.852 10.270 -2.387 1.00 0.00 N ATOM 98 CA ILE A 85 4.232 9.295 -1.497 1.00 0.00 C ATOM 99 C ILE A 85 2.723 9.539 -1.455 1.00 0.00 C ATOM 100 O ILE A 85 1.930 8.624 -1.669 1.00 0.00 O ATOM 101 CB ILE A 85 4.803 9.454 -0.079 1.00 0.00 C ATOM 102 CG1 ILE A 85 6.326 9.295 -0.105 1.00 0.00 C ATOM 103 CG2 ILE A 85 4.213 8.387 0.845 1.00 0.00 C ATOM 104 CD1 ILE A 85 6.889 9.619 1.283 1.00 0.00 C ATOM 0 H ILE A 85 5.628 10.788 -1.976 1.00 0.00 H new ATOM 0 HA ILE A 85 4.437 8.289 -1.864 1.00 0.00 H new ATOM 0 HB ILE A 85 4.543 10.446 0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.593 8.277 -0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.761 9.960 -0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.623 8.507 1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.129 8.496 0.881 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.466 7.397 0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.973 9.508 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.633 10.644 1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.462 8.936 2.017 1.00 0.00 H new ATOM 116 N ARG A 86 2.341 10.785 -1.206 1.00 0.00 N ATOM 117 CA ARG A 86 0.932 11.145 -1.147 1.00 0.00 C ATOM 118 C ARG A 86 0.227 10.795 -2.464 1.00 0.00 C ATOM 119 O ARG A 86 -0.916 10.343 -2.456 1.00 0.00 O ATOM 120 CB ARG A 86 0.799 12.650 -0.846 1.00 0.00 C ATOM 121 CG ARG A 86 1.071 12.893 0.645 1.00 0.00 C ATOM 122 CD ARG A 86 0.905 14.377 0.989 1.00 0.00 C ATOM 123 NE ARG A 86 2.068 15.134 0.546 1.00 0.00 N ATOM 124 CZ ARG A 86 2.190 16.433 0.799 1.00 0.00 C ATOM 125 NH1 ARG A 86 1.297 17.048 1.521 1.00 0.00 N ATOM 126 NH2 ARG A 86 3.222 17.084 0.338 1.00 0.00 N ATOM 0 H ARG A 86 2.984 11.559 -1.042 1.00 0.00 H new ATOM 0 HA ARG A 86 0.453 10.577 -0.350 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.503 13.218 -1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.200 12.998 -1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.386 12.296 1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.081 12.567 0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.006 14.769 0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.774 14.495 2.065 1.00 0.00 H new ATOM 0 HE ARG A 86 2.806 14.656 0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.500 16.532 1.895 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.395 18.045 1.713 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.928 16.596 -0.213 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.322 18.081 0.528 1.00 0.00 H new ATOM 140 N GLU A 87 0.918 10.987 -3.583 1.00 0.00 N ATOM 141 CA GLU A 87 0.349 10.676 -4.894 1.00 0.00 C ATOM 142 C GLU A 87 0.346 9.159 -5.149 1.00 0.00 C ATOM 143 O GLU A 87 -0.708 8.531 -5.200 1.00 0.00 O ATOM 144 CB GLU A 87 1.157 11.381 -5.986 1.00 0.00 C ATOM 145 CG GLU A 87 0.965 12.896 -5.869 1.00 0.00 C ATOM 146 CD GLU A 87 1.812 13.616 -6.913 1.00 0.00 C ATOM 147 OE1 GLU A 87 2.489 12.937 -7.667 1.00 0.00 O ATOM 148 OE2 GLU A 87 1.769 14.835 -6.944 1.00 0.00 O ATOM 0 H GLU A 87 1.869 11.355 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.682 11.029 -4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.213 11.130 -5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.835 11.038 -6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.086 13.148 -6.006 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.245 13.229 -4.870 1.00 0.00 H new ATOM 155 N ALA A 88 1.538 8.589 -5.303 1.00 0.00 N ATOM 156 CA ALA A 88 1.688 7.156 -5.561 1.00 0.00 C ATOM 157 C ALA A 88 0.645 6.343 -4.786 1.00 0.00 C ATOM 158 O ALA A 88 -0.104 5.562 -5.372 1.00 0.00 O ATOM 159 CB ALA A 88 3.095 6.715 -5.155 1.00 0.00 C ATOM 0 H ALA A 88 2.420 9.099 -5.254 1.00 0.00 H new ATOM 0 HA ALA A 88 1.534 6.976 -6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.211 5.648 -5.346 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.832 7.270 -5.736 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.246 6.913 -4.094 1.00 0.00 H new ATOM 165 N PHE A 89 0.596 6.535 -3.470 1.00 0.00 N ATOM 166 CA PHE A 89 -0.362 5.815 -2.635 1.00 0.00 C ATOM 167 C PHE A 89 -1.807 6.213 -2.980 1.00 0.00 C ATOM 168 O PHE A 89 -2.700 5.368 -3.016 1.00 0.00 O ATOM 169 CB PHE A 89 -0.067 6.075 -1.154 1.00 0.00 C ATOM 170 CG PHE A 89 1.033 5.142 -0.685 1.00 0.00 C ATOM 171 CD1 PHE A 89 0.765 3.773 -0.530 1.00 0.00 C ATOM 172 CD2 PHE A 89 2.311 5.635 -0.413 1.00 0.00 C ATOM 173 CE1 PHE A 89 1.773 2.908 -0.103 1.00 0.00 C ATOM 174 CE2 PHE A 89 3.319 4.766 0.015 1.00 0.00 C ATOM 175 CZ PHE A 89 3.053 3.406 0.170 1.00 0.00 C ATOM 0 H PHE A 89 1.203 7.178 -2.962 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.257 4.748 -2.832 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.235 7.112 -1.009 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.968 5.920 -0.560 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.222 3.389 -0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.521 6.688 -0.533 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.566 1.855 0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.306 5.149 0.226 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.834 2.737 0.500 1.00 0.00 H new ATOM 185 N ARG A 90 -2.035 7.501 -3.239 1.00 0.00 N ATOM 186 CA ARG A 90 -3.383 7.956 -3.595 1.00 0.00 C ATOM 187 C ARG A 90 -3.863 7.202 -4.840 1.00 0.00 C ATOM 188 O ARG A 90 -4.989 6.709 -4.888 1.00 0.00 O ATOM 189 CB ARG A 90 -3.376 9.472 -3.853 1.00 0.00 C ATOM 190 CG ARG A 90 -3.751 10.221 -2.562 1.00 0.00 C ATOM 191 CD ARG A 90 -3.669 11.726 -2.790 1.00 0.00 C ATOM 192 NE ARG A 90 -3.980 12.448 -1.556 1.00 0.00 N ATOM 193 CZ ARG A 90 -3.953 13.776 -1.503 1.00 0.00 C ATOM 194 NH1 ARG A 90 -3.643 14.469 -2.560 1.00 0.00 N ATOM 195 NH2 ARG A 90 -4.215 14.388 -0.384 1.00 0.00 N ATOM 0 H ARG A 90 -1.325 8.233 -3.211 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.066 7.751 -2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.390 9.788 -4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.082 9.719 -4.646 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.759 9.946 -2.252 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.079 9.930 -1.755 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.670 11.994 -3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.365 12.019 -3.576 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.223 11.920 -0.718 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.419 13.993 -3.434 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.624 15.488 -2.514 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.441 13.848 0.452 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.194 15.407 -0.343 1.00 0.00 H new ATOM 209 N VAL A 91 -2.989 7.105 -5.837 1.00 0.00 N ATOM 210 CA VAL A 91 -3.317 6.404 -7.073 1.00 0.00 C ATOM 211 C VAL A 91 -3.599 4.930 -6.776 1.00 0.00 C ATOM 212 O VAL A 91 -4.534 4.343 -7.317 1.00 0.00 O ATOM 213 CB VAL A 91 -2.148 6.528 -8.060 1.00 0.00 C ATOM 214 CG1 VAL A 91 -2.429 5.686 -9.306 1.00 0.00 C ATOM 215 CG2 VAL A 91 -1.982 7.992 -8.470 1.00 0.00 C ATOM 0 H VAL A 91 -2.050 7.502 -5.813 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.208 6.850 -7.516 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.236 6.172 -7.581 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.596 5.778 -10.003 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.549 4.641 -9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.343 6.038 -9.785 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.152 8.082 -9.171 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.898 8.343 -8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.777 8.596 -7.586 1.00 0.00 H new ATOM 225 N PHE A 92 -2.770 4.344 -5.915 1.00 0.00 N ATOM 226 CA PHE A 92 -2.919 2.936 -5.550 1.00 0.00 C ATOM 227 C PHE A 92 -4.349 2.640 -5.117 1.00 0.00 C ATOM 228 O PHE A 92 -4.984 1.747 -5.671 1.00 0.00 O ATOM 229 CB PHE A 92 -1.936 2.595 -4.412 1.00 0.00 C ATOM 230 CG PHE A 92 -0.616 2.145 -4.995 1.00 0.00 C ATOM 231 CD1 PHE A 92 -0.088 2.787 -6.127 1.00 0.00 C ATOM 232 CD2 PHE A 92 0.071 1.078 -4.413 1.00 0.00 C ATOM 233 CE1 PHE A 92 1.124 2.360 -6.670 1.00 0.00 C ATOM 234 CE2 PHE A 92 1.286 0.651 -4.959 1.00 0.00 C ATOM 235 CZ PHE A 92 1.812 1.291 -6.087 1.00 0.00 C ATOM 0 H PHE A 92 -1.991 4.819 -5.459 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.694 2.319 -6.420 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.785 3.467 -3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.353 1.809 -3.782 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.621 3.612 -6.577 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.335 0.583 -3.543 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.531 2.854 -7.540 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.819 -0.174 -4.509 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.750 0.959 -6.508 1.00 0.00 H new ATOM 245 N ASP A 93 -4.857 3.393 -4.146 1.00 0.00 N ATOM 246 CA ASP A 93 -6.228 3.188 -3.686 1.00 0.00 C ATOM 247 C ASP A 93 -7.169 3.188 -4.890 1.00 0.00 C ATOM 248 O ASP A 93 -7.714 4.225 -5.261 1.00 0.00 O ATOM 249 CB ASP A 93 -6.623 4.307 -2.716 1.00 0.00 C ATOM 250 CG ASP A 93 -7.918 3.949 -2.001 1.00 0.00 C ATOM 251 OD1 ASP A 93 -8.236 2.768 -1.938 1.00 0.00 O ATOM 252 OD2 ASP A 93 -8.566 4.862 -1.509 1.00 0.00 O ATOM 0 H ASP A 93 -4.351 4.139 -3.669 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.300 2.231 -3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.828 4.464 -1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.746 5.243 -3.260 1.00 0.00 H new ATOM 257 N LYS A 94 -7.331 2.017 -5.509 1.00 0.00 N ATOM 258 CA LYS A 94 -8.185 1.890 -6.692 1.00 0.00 C ATOM 259 C LYS A 94 -9.568 2.457 -6.411 1.00 0.00 C ATOM 260 O LYS A 94 -10.030 3.374 -7.089 1.00 0.00 O ATOM 261 CB LYS A 94 -8.312 0.412 -7.066 1.00 0.00 C ATOM 262 CG LYS A 94 -6.971 -0.110 -7.606 1.00 0.00 C ATOM 263 CD LYS A 94 -7.033 -1.641 -7.778 1.00 0.00 C ATOM 264 CE LYS A 94 -7.686 -1.996 -9.115 1.00 0.00 C ATOM 265 NZ LYS A 94 -8.061 -3.435 -9.111 1.00 0.00 N ATOM 0 H LYS A 94 -6.885 1.148 -5.214 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.735 2.447 -7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.613 -0.168 -6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.091 0.284 -7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.745 0.363 -8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.166 0.155 -6.921 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.028 -2.060 -7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.600 -2.084 -6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.569 -1.378 -9.277 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.998 -1.790 -9.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.402 -3.967 -9.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.015 -3.803 -8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.029 -3.543 -9.476 1.00 0.00 H new ATOM 279 N ASP A 95 -10.208 1.915 -5.381 1.00 0.00 N ATOM 280 CA ASP A 95 -11.533 2.359 -4.969 1.00 0.00 C ATOM 281 C ASP A 95 -11.475 3.791 -4.441 1.00 0.00 C ATOM 282 O ASP A 95 -12.407 4.247 -3.787 1.00 0.00 O ATOM 283 CB ASP A 95 -12.054 1.429 -3.870 1.00 0.00 C ATOM 284 CG ASP A 95 -12.388 0.063 -4.463 1.00 0.00 C ATOM 285 OD1 ASP A 95 -12.481 -0.030 -5.674 1.00 0.00 O ATOM 286 OD2 ASP A 95 -12.544 -0.872 -3.693 1.00 0.00 O ATOM 0 H ASP A 95 -9.825 1.160 -4.812 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.202 2.331 -5.829 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.304 1.322 -3.086 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -12.941 1.861 -3.406 1.00 0.00 H new ATOM 291 N GLY A 96 -10.373 4.484 -4.745 1.00 0.00 N ATOM 292 CA GLY A 96 -10.176 5.871 -4.321 1.00 0.00 C ATOM 293 C GLY A 96 -10.940 6.190 -3.037 1.00 0.00 C ATOM 294 O GLY A 96 -11.606 7.220 -2.948 1.00 0.00 O ATOM 0 H GLY A 96 -9.599 4.102 -5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.113 6.055 -4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.504 6.543 -5.114 1.00 0.00 H new ATOM 298 N ASN A 97 -10.857 5.298 -2.049 1.00 0.00 N ATOM 299 CA ASN A 97 -11.569 5.509 -0.784 1.00 0.00 C ATOM 300 C ASN A 97 -10.667 6.188 0.251 1.00 0.00 C ATOM 301 O ASN A 97 -11.031 6.302 1.420 1.00 0.00 O ATOM 302 CB ASN A 97 -12.097 4.174 -0.229 1.00 0.00 C ATOM 303 CG ASN A 97 -10.957 3.295 0.276 1.00 0.00 C ATOM 304 OD1 ASN A 97 -9.788 3.583 0.034 1.00 0.00 O ATOM 305 ND2 ASN A 97 -11.237 2.224 0.971 1.00 0.00 N ATOM 0 H ASN A 97 -10.314 4.436 -2.096 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.415 6.166 -0.985 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.798 4.367 0.583 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.649 3.647 -1.007 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.484 1.627 1.313 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.208 1.986 1.172 1.00 0.00 H new ATOM 312 N GLY A 98 -9.497 6.662 -0.187 1.00 0.00 N ATOM 313 CA GLY A 98 -8.567 7.351 0.714 1.00 0.00 C ATOM 314 C GLY A 98 -7.959 6.390 1.730 1.00 0.00 C ATOM 315 O GLY A 98 -7.713 6.757 2.880 1.00 0.00 O ATOM 0 H GLY A 98 -9.173 6.583 -1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.772 7.817 0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.091 8.151 1.237 1.00 0.00 H new ATOM 319 N TYR A 99 -7.724 5.161 1.298 1.00 0.00 N ATOM 320 CA TYR A 99 -7.147 4.146 2.167 1.00 0.00 C ATOM 321 C TYR A 99 -6.540 3.037 1.326 1.00 0.00 C ATOM 322 O TYR A 99 -6.717 3.018 0.110 1.00 0.00 O ATOM 323 CB TYR A 99 -8.216 3.587 3.100 1.00 0.00 C ATOM 324 CG TYR A 99 -8.574 4.632 4.138 1.00 0.00 C ATOM 325 CD1 TYR A 99 -7.663 4.956 5.152 1.00 0.00 C ATOM 326 CD2 TYR A 99 -9.813 5.282 4.081 1.00 0.00 C ATOM 327 CE1 TYR A 99 -7.991 5.927 6.107 1.00 0.00 C ATOM 328 CE2 TYR A 99 -10.141 6.254 5.035 1.00 0.00 C ATOM 329 CZ TYR A 99 -9.230 6.575 6.048 1.00 0.00 C ATOM 330 OH TYR A 99 -9.552 7.534 6.987 1.00 0.00 O ATOM 0 H TYR A 99 -7.924 4.842 0.350 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.361 4.596 2.774 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -9.102 3.306 2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.852 2.683 3.588 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.707 4.456 5.197 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -10.517 5.034 3.300 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.288 6.175 6.888 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -11.096 6.755 4.989 1.00 0.00 H new ATOM 0 HH TYR A 99 -10.448 7.886 6.801 1.00 0.00 H new ATOM 340 N ILE A 100 -5.802 2.119 1.963 1.00 0.00 N ATOM 341 CA ILE A 100 -5.151 1.027 1.218 1.00 0.00 C ATOM 342 C ILE A 100 -5.610 -0.352 1.669 1.00 0.00 C ATOM 343 O ILE A 100 -5.319 -0.777 2.797 1.00 0.00 O ATOM 344 CB ILE A 100 -3.638 1.131 1.412 1.00 0.00 C ATOM 345 CG1 ILE A 100 -3.158 2.528 0.988 1.00 0.00 C ATOM 346 CG2 ILE A 100 -2.929 0.072 0.566 1.00 0.00 C ATOM 347 CD1 ILE A 100 -3.516 2.789 -0.482 1.00 0.00 C ATOM 0 H ILE A 100 -5.641 2.106 2.970 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.429 1.137 0.170 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.403 0.967 2.464 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.618 3.286 1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.080 2.608 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.852 0.153 0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.262 -0.920 0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.167 0.228 -0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.171 3.782 -0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.035 2.041 -1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.597 2.730 -0.609 1.00 0.00 H new ATOM 359 N SER A 101 -6.294 -1.073 0.759 1.00 0.00 N ATOM 360 CA SER A 101 -6.758 -2.439 1.048 1.00 0.00 C ATOM 361 C SER A 101 -5.816 -3.463 0.419 1.00 0.00 C ATOM 362 O SER A 101 -5.057 -3.146 -0.489 1.00 0.00 O ATOM 363 CB SER A 101 -8.168 -2.668 0.502 1.00 0.00 C ATOM 364 OG SER A 101 -8.374 -4.065 0.318 1.00 0.00 O ATOM 0 H SER A 101 -6.534 -0.734 -0.173 1.00 0.00 H new ATOM 0 HA SER A 101 -6.770 -2.560 2.131 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.909 -2.266 1.193 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.295 -2.141 -0.444 1.00 0.00 H new ATOM 0 HG SER A 101 -9.277 -4.219 -0.030 1.00 0.00 H new ATOM 370 N ALA A 102 -5.863 -4.688 0.931 1.00 0.00 N ATOM 371 CA ALA A 102 -4.998 -5.760 0.443 1.00 0.00 C ATOM 372 C ALA A 102 -5.293 -6.116 -1.011 1.00 0.00 C ATOM 373 O ALA A 102 -4.381 -6.432 -1.777 1.00 0.00 O ATOM 374 CB ALA A 102 -5.177 -7.005 1.328 1.00 0.00 C ATOM 0 H ALA A 102 -6.491 -4.965 1.685 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.968 -5.407 0.493 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.532 -7.805 0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.910 -6.762 2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -6.216 -7.331 1.291 1.00 0.00 H new ATOM 380 N ALA A 103 -6.566 -6.097 -1.376 1.00 0.00 N ATOM 381 CA ALA A 103 -6.971 -6.450 -2.729 1.00 0.00 C ATOM 382 C ALA A 103 -6.377 -5.490 -3.766 1.00 0.00 C ATOM 383 O ALA A 103 -6.037 -5.900 -4.879 1.00 0.00 O ATOM 384 CB ALA A 103 -8.501 -6.438 -2.825 1.00 0.00 C ATOM 0 H ALA A 103 -7.335 -5.842 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.592 -7.449 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.804 -6.702 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.915 -7.161 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.873 -5.442 -2.583 1.00 0.00 H new ATOM 390 N GLU A 104 -6.273 -4.221 -3.409 1.00 0.00 N ATOM 391 CA GLU A 104 -5.740 -3.223 -4.328 1.00 0.00 C ATOM 392 C GLU A 104 -4.266 -3.477 -4.617 1.00 0.00 C ATOM 393 O GLU A 104 -3.810 -3.275 -5.739 1.00 0.00 O ATOM 394 CB GLU A 104 -5.896 -1.826 -3.716 1.00 0.00 C ATOM 395 CG GLU A 104 -7.368 -1.582 -3.376 1.00 0.00 C ATOM 396 CD GLU A 104 -7.542 -0.218 -2.709 1.00 0.00 C ATOM 397 OE1 GLU A 104 -6.838 0.046 -1.747 1.00 0.00 O ATOM 398 OE2 GLU A 104 -8.383 0.544 -3.172 1.00 0.00 O ATOM 0 H GLU A 104 -6.548 -3.857 -2.497 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.297 -3.290 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.285 -1.740 -2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.543 -1.069 -4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.970 -1.630 -4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.729 -2.367 -2.712 1.00 0.00 H new ATOM 405 N LEU A 105 -3.519 -3.909 -3.600 1.00 0.00 N ATOM 406 CA LEU A 105 -2.091 -4.160 -3.772 1.00 0.00 C ATOM 407 C LEU A 105 -1.836 -5.315 -4.747 1.00 0.00 C ATOM 408 O LEU A 105 -1.129 -5.160 -5.729 1.00 0.00 O ATOM 409 CB LEU A 105 -1.465 -4.505 -2.418 1.00 0.00 C ATOM 410 CG LEU A 105 -1.847 -3.447 -1.382 1.00 0.00 C ATOM 411 CD1 LEU A 105 -1.224 -3.804 -0.031 1.00 0.00 C ATOM 412 CD2 LEU A 105 -1.343 -2.073 -1.823 1.00 0.00 C ATOM 0 H LEU A 105 -3.875 -4.090 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.640 -3.256 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.806 -5.487 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.380 -4.559 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.933 -3.418 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.497 -3.049 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.591 -4.778 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.139 -3.840 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.621 -1.327 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.258 -2.099 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.791 -1.812 -2.782 1.00 0.00 H new ATOM 424 N ARG A 106 -2.412 -6.471 -4.468 1.00 0.00 N ATOM 425 CA ARG A 106 -2.210 -7.626 -5.333 1.00 0.00 C ATOM 426 C ARG A 106 -2.622 -7.310 -6.771 1.00 0.00 C ATOM 427 O ARG A 106 -1.878 -7.601 -7.710 1.00 0.00 O ATOM 428 CB ARG A 106 -3.001 -8.837 -4.803 1.00 0.00 C ATOM 429 CG ARG A 106 -4.506 -8.552 -4.793 1.00 0.00 C ATOM 430 CD ARG A 106 -5.235 -9.703 -4.097 1.00 0.00 C ATOM 431 NE ARG A 106 -6.685 -9.509 -4.149 1.00 0.00 N ATOM 432 CZ ARG A 106 -7.406 -9.919 -5.180 1.00 0.00 C ATOM 433 NH1 ARG A 106 -6.841 -10.545 -6.175 1.00 0.00 N ATOM 434 NH2 ARG A 106 -8.686 -9.703 -5.188 1.00 0.00 N ATOM 0 H ARG A 106 -3.015 -6.637 -3.662 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.148 -7.872 -5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.797 -9.709 -5.425 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.667 -9.080 -3.794 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.706 -7.614 -4.276 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.873 -8.438 -5.813 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.973 -10.647 -4.575 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.910 -9.770 -3.059 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.152 -9.045 -3.370 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.837 -10.722 -6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.404 -10.858 -6.966 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.127 -9.221 -4.404 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.251 -10.015 -5.978 1.00 0.00 H new ATOM 448 N HIS A 107 -3.810 -6.737 -6.940 1.00 0.00 N ATOM 449 CA HIS A 107 -4.310 -6.419 -8.269 1.00 0.00 C ATOM 450 C HIS A 107 -3.458 -5.352 -8.946 1.00 0.00 C ATOM 451 O HIS A 107 -2.970 -5.556 -10.056 1.00 0.00 O ATOM 452 CB HIS A 107 -5.753 -5.916 -8.157 1.00 0.00 C ATOM 453 CG HIS A 107 -6.423 -5.921 -9.509 1.00 0.00 C ATOM 454 ND1 HIS A 107 -6.001 -5.122 -10.561 1.00 0.00 N ATOM 455 CD2 HIS A 107 -7.521 -6.608 -9.982 1.00 0.00 C ATOM 456 CE1 HIS A 107 -6.832 -5.344 -11.601 1.00 0.00 C ATOM 457 NE2 HIS A 107 -7.774 -6.239 -11.301 1.00 0.00 N ATOM 0 H HIS A 107 -4.439 -6.486 -6.177 1.00 0.00 H new ATOM 0 HA HIS A 107 -4.266 -7.324 -8.875 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.311 -6.547 -7.466 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.761 -4.907 -7.745 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.098 -7.324 -9.415 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -6.745 -4.856 -12.560 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -8.520 -6.580 -11.907 1.00 0.00 H new ATOM 466 N VAL A 108 -3.298 -4.211 -8.283 1.00 0.00 N ATOM 467 CA VAL A 108 -2.528 -3.124 -8.864 1.00 0.00 C ATOM 468 C VAL A 108 -1.090 -3.564 -9.136 1.00 0.00 C ATOM 469 O VAL A 108 -0.583 -3.357 -10.228 1.00 0.00 O ATOM 470 CB VAL A 108 -2.554 -1.893 -7.945 1.00 0.00 C ATOM 471 CG1 VAL A 108 -1.556 -2.059 -6.801 1.00 0.00 C ATOM 472 CG2 VAL A 108 -2.183 -0.641 -8.743 1.00 0.00 C ATOM 0 H VAL A 108 -3.685 -4.019 -7.359 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.985 -2.852 -9.815 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.560 -1.792 -7.537 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.588 -1.178 -6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.815 -2.942 -6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.552 -2.175 -7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.203 0.228 -8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.182 -0.758 -9.159 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.899 -0.500 -9.553 1.00 0.00 H new ATOM 482 N MET A 109 -0.449 -4.176 -8.150 1.00 0.00 N ATOM 483 CA MET A 109 0.923 -4.634 -8.316 1.00 0.00 C ATOM 484 C MET A 109 1.013 -5.558 -9.524 1.00 0.00 C ATOM 485 O MET A 109 1.882 -5.391 -10.381 1.00 0.00 O ATOM 486 CB MET A 109 1.378 -5.375 -7.054 1.00 0.00 C ATOM 487 CG MET A 109 1.526 -4.380 -5.896 1.00 0.00 C ATOM 488 SD MET A 109 3.017 -3.379 -6.139 1.00 0.00 S ATOM 489 CE MET A 109 3.543 -3.317 -4.409 1.00 0.00 C ATOM 0 H MET A 109 -0.853 -4.366 -7.233 1.00 0.00 H new ATOM 0 HA MET A 109 1.573 -3.774 -8.476 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.654 -6.147 -6.793 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.328 -5.878 -7.238 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.648 -3.736 -5.843 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.586 -4.916 -4.949 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.462 -2.737 -4.329 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.764 -2.847 -3.808 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.720 -4.329 -4.046 1.00 0.00 H new ATOM 499 N THR A 110 0.088 -6.508 -9.609 1.00 0.00 N ATOM 500 CA THR A 110 0.060 -7.433 -10.738 1.00 0.00 C ATOM 501 C THR A 110 -0.194 -6.664 -12.030 1.00 0.00 C ATOM 502 O THR A 110 0.445 -6.911 -13.051 1.00 0.00 O ATOM 503 CB THR A 110 -1.031 -8.491 -10.529 1.00 0.00 C ATOM 504 OG1 THR A 110 -0.724 -9.260 -9.375 1.00 0.00 O ATOM 505 CG2 THR A 110 -1.097 -9.415 -11.749 1.00 0.00 C ATOM 0 H THR A 110 -0.646 -6.658 -8.917 1.00 0.00 H new ATOM 0 HA THR A 110 1.024 -7.936 -10.808 1.00 0.00 H new ATOM 0 HB THR A 110 -1.993 -7.996 -10.398 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.244 -8.929 -8.613 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.873 -10.165 -11.596 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.329 -8.828 -12.638 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.135 -9.910 -11.883 1.00 0.00 H new ATOM 513 N ASN A 111 -1.138 -5.730 -11.973 1.00 0.00 N ATOM 514 CA ASN A 111 -1.475 -4.920 -13.139 1.00 0.00 C ATOM 515 C ASN A 111 -0.271 -4.084 -13.560 1.00 0.00 C ATOM 516 O ASN A 111 0.014 -3.932 -14.745 1.00 0.00 O ATOM 517 CB ASN A 111 -2.652 -4.000 -12.810 1.00 0.00 C ATOM 518 CG ASN A 111 -3.047 -3.183 -14.035 1.00 0.00 C ATOM 519 OD1 ASN A 111 -2.262 -3.041 -14.968 1.00 0.00 O ATOM 520 ND2 ASN A 111 -4.230 -2.633 -14.085 1.00 0.00 N ATOM 0 H ASN A 111 -1.681 -5.516 -11.137 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.754 -5.581 -13.960 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.502 -4.593 -12.471 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.382 -3.333 -11.991 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.503 -2.084 -14.900 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.881 -2.752 -13.309 1.00 0.00 H new ATOM 527 N LEU A 112 0.434 -3.560 -12.570 1.00 0.00 N ATOM 528 CA LEU A 112 1.609 -2.744 -12.816 1.00 0.00 C ATOM 529 C LEU A 112 2.658 -3.547 -13.567 1.00 0.00 C ATOM 530 O LEU A 112 3.355 -3.017 -14.435 1.00 0.00 O ATOM 531 CB LEU A 112 2.186 -2.260 -11.476 1.00 0.00 C ATOM 532 CG LEU A 112 1.409 -1.026 -10.982 1.00 0.00 C ATOM 533 CD1 LEU A 112 1.525 -0.920 -9.460 1.00 0.00 C ATOM 534 CD2 LEU A 112 1.998 0.241 -11.618 1.00 0.00 C ATOM 0 H LEU A 112 0.210 -3.687 -11.583 1.00 0.00 H new ATOM 0 HA LEU A 112 1.325 -1.884 -13.422 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.126 -3.058 -10.736 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.241 -2.013 -11.593 1.00 0.00 H new ATOM 0 HG LEU A 112 0.361 -1.127 -11.264 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.974 -0.046 -9.113 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.110 -1.817 -9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.574 -0.822 -9.181 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.447 1.114 -11.268 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.046 0.336 -11.336 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.919 0.174 -12.703 1.00 0.00 H new ATOM 546 N GLY A 113 2.771 -4.823 -13.223 1.00 0.00 N ATOM 547 CA GLY A 113 3.747 -5.707 -13.871 1.00 0.00 C ATOM 548 C GLY A 113 4.485 -6.554 -12.843 1.00 0.00 C ATOM 549 O GLY A 113 5.262 -7.439 -13.197 1.00 0.00 O ATOM 0 H GLY A 113 2.205 -5.273 -12.504 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.238 -6.356 -14.584 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.463 -5.111 -14.437 1.00 0.00 H new ATOM 553 N GLU A 114 4.241 -6.277 -11.564 1.00 0.00 N ATOM 554 CA GLU A 114 4.893 -7.021 -10.481 1.00 0.00 C ATOM 555 C GLU A 114 3.971 -8.112 -9.936 1.00 0.00 C ATOM 556 O GLU A 114 3.108 -7.851 -9.099 1.00 0.00 O ATOM 557 CB GLU A 114 5.282 -6.051 -9.361 1.00 0.00 C ATOM 558 CG GLU A 114 6.401 -5.126 -9.849 1.00 0.00 C ATOM 559 CD GLU A 114 7.679 -5.927 -10.086 1.00 0.00 C ATOM 560 OE1 GLU A 114 7.791 -7.002 -9.522 1.00 0.00 O ATOM 561 OE2 GLU A 114 8.528 -5.450 -10.822 1.00 0.00 O ATOM 0 H GLU A 114 3.601 -5.548 -11.250 1.00 0.00 H new ATOM 0 HA GLU A 114 5.788 -7.502 -10.875 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.416 -5.463 -9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.612 -6.607 -8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.097 -4.630 -10.771 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.584 -4.344 -9.112 1.00 0.00 H new ATOM 568 N LYS A 115 4.162 -9.337 -10.421 1.00 0.00 N ATOM 569 CA LYS A 115 3.339 -10.461 -9.982 1.00 0.00 C ATOM 570 C LYS A 115 3.728 -10.927 -8.573 1.00 0.00 C ATOM 571 O LYS A 115 4.448 -11.914 -8.409 1.00 0.00 O ATOM 572 CB LYS A 115 3.479 -11.625 -10.973 1.00 0.00 C ATOM 573 CG LYS A 115 2.962 -11.192 -12.350 1.00 0.00 C ATOM 574 CD LYS A 115 2.932 -12.401 -13.293 1.00 0.00 C ATOM 575 CE LYS A 115 4.348 -12.968 -13.461 1.00 0.00 C ATOM 576 NZ LYS A 115 4.606 -13.957 -12.377 1.00 0.00 N ATOM 0 H LYS A 115 4.873 -9.575 -11.112 1.00 0.00 H new ATOM 0 HA LYS A 115 2.302 -10.127 -9.950 1.00 0.00 H new ATOM 0 HB2 LYS A 115 4.523 -11.931 -11.045 1.00 0.00 H new ATOM 0 HB3 LYS A 115 2.917 -12.489 -10.617 1.00 0.00 H new ATOM 0 HG2 LYS A 115 1.963 -10.766 -12.257 1.00 0.00 H new ATOM 0 HG3 LYS A 115 3.604 -10.413 -12.762 1.00 0.00 H new ATOM 0 HD2 LYS A 115 2.269 -13.168 -12.894 1.00 0.00 H new ATOM 0 HD3 LYS A 115 2.531 -12.107 -14.263 1.00 0.00 H new ATOM 0 HE2 LYS A 115 4.450 -13.443 -14.437 1.00 0.00 H new ATOM 0 HE3 LYS A 115 5.083 -12.164 -13.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 5.411 -13.639 -11.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 3.762 -14.041 -11.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 4.825 -14.883 -12.797 1.00 0.00 H new ATOM 590 N LEU A 116 3.235 -10.212 -7.562 1.00 0.00 N ATOM 591 CA LEU A 116 3.514 -10.553 -6.163 1.00 0.00 C ATOM 592 C LEU A 116 2.681 -11.761 -5.736 1.00 0.00 C ATOM 593 O LEU A 116 2.012 -12.382 -6.561 1.00 0.00 O ATOM 594 CB LEU A 116 3.174 -9.347 -5.259 1.00 0.00 C ATOM 595 CG LEU A 116 4.407 -8.461 -5.056 1.00 0.00 C ATOM 596 CD1 LEU A 116 4.858 -7.883 -6.392 1.00 0.00 C ATOM 597 CD2 LEU A 116 4.059 -7.323 -4.098 1.00 0.00 C ATOM 0 H LEU A 116 2.640 -9.392 -7.683 1.00 0.00 H new ATOM 0 HA LEU A 116 4.571 -10.799 -6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.370 -8.764 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.810 -9.700 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 116 5.215 -9.060 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.735 -7.254 -6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.109 -8.696 -7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.053 -7.285 -6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.934 -6.690 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.248 -6.728 -4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.746 -7.737 -3.140 1.00 0.00 H new ATOM 609 N THR A 117 2.714 -12.081 -4.439 1.00 0.00 N ATOM 610 CA THR A 117 1.939 -13.210 -3.909 1.00 0.00 C ATOM 611 C THR A 117 0.825 -12.702 -2.992 1.00 0.00 C ATOM 612 O THR A 117 1.063 -11.895 -2.094 1.00 0.00 O ATOM 613 CB THR A 117 2.859 -14.154 -3.130 1.00 0.00 C ATOM 614 OG1 THR A 117 3.685 -13.395 -2.265 1.00 0.00 O ATOM 615 CG2 THR A 117 3.735 -14.948 -4.101 1.00 0.00 C ATOM 0 H THR A 117 3.264 -11.580 -3.741 1.00 0.00 H new ATOM 0 HA THR A 117 1.492 -13.751 -4.743 1.00 0.00 H new ATOM 0 HB THR A 117 2.252 -14.847 -2.547 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.406 -12.979 -2.783 1.00 0.00 H new ATOM 0 HG21 THR A 117 4.387 -15.617 -3.539 1.00 0.00 H new ATOM 0 HG22 THR A 117 3.101 -15.533 -4.767 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.342 -14.260 -4.689 1.00 0.00 H new ATOM 623 N ASP A 118 -0.397 -13.177 -3.227 1.00 0.00 N ATOM 624 CA ASP A 118 -1.544 -12.756 -2.425 1.00 0.00 C ATOM 625 C ASP A 118 -1.305 -13.050 -0.944 1.00 0.00 C ATOM 626 O ASP A 118 -1.677 -12.261 -0.074 1.00 0.00 O ATOM 627 CB ASP A 118 -2.806 -13.493 -2.889 1.00 0.00 C ATOM 628 CG ASP A 118 -3.264 -12.956 -4.241 1.00 0.00 C ATOM 629 OD1 ASP A 118 -2.776 -11.908 -4.638 1.00 0.00 O ATOM 630 OD2 ASP A 118 -4.096 -13.603 -4.864 1.00 0.00 O ATOM 0 H ASP A 118 -0.618 -13.849 -3.962 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.676 -11.682 -2.556 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.605 -14.562 -2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.600 -13.369 -2.152 1.00 0.00 H new ATOM 635 N GLU A 119 -0.677 -14.188 -0.669 1.00 0.00 N ATOM 636 CA GLU A 119 -0.393 -14.586 0.707 1.00 0.00 C ATOM 637 C GLU A 119 0.516 -13.555 1.388 1.00 0.00 C ATOM 638 O GLU A 119 0.324 -13.216 2.563 1.00 0.00 O ATOM 639 CB GLU A 119 0.278 -15.969 0.719 1.00 0.00 C ATOM 640 CG GLU A 119 -0.696 -17.012 0.155 1.00 0.00 C ATOM 641 CD GLU A 119 -0.030 -18.388 0.078 1.00 0.00 C ATOM 642 OE1 GLU A 119 1.101 -18.505 0.522 1.00 0.00 O ATOM 643 OE2 GLU A 119 -0.663 -19.303 -0.424 1.00 0.00 O ATOM 0 H GLU A 119 -0.356 -14.849 -1.376 1.00 0.00 H new ATOM 0 HA GLU A 119 -1.332 -14.637 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.191 -15.948 0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.567 -16.237 1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.583 -17.067 0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.028 -16.707 -0.837 1.00 0.00 H new ATOM 650 N GLU A 120 1.473 -13.024 0.633 1.00 0.00 N ATOM 651 CA GLU A 120 2.367 -12.004 1.175 1.00 0.00 C ATOM 652 C GLU A 120 1.620 -10.675 1.308 1.00 0.00 C ATOM 653 O GLU A 120 1.721 -9.993 2.327 1.00 0.00 O ATOM 654 CB GLU A 120 3.591 -11.828 0.270 1.00 0.00 C ATOM 655 CG GLU A 120 4.461 -13.091 0.320 1.00 0.00 C ATOM 656 CD GLU A 120 5.656 -12.945 -0.621 1.00 0.00 C ATOM 657 OE1 GLU A 120 5.776 -11.897 -1.239 1.00 0.00 O ATOM 658 OE2 GLU A 120 6.430 -13.885 -0.715 1.00 0.00 O ATOM 0 H GLU A 120 1.649 -13.277 -0.339 1.00 0.00 H new ATOM 0 HA GLU A 120 2.706 -12.325 2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.272 -11.635 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.171 -10.963 0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.809 -13.262 1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 120 3.869 -13.961 0.036 1.00 0.00 H new ATOM 665 N VAL A 121 0.855 -10.331 0.272 1.00 0.00 N ATOM 666 CA VAL A 121 0.075 -9.098 0.284 1.00 0.00 C ATOM 667 C VAL A 121 -0.808 -9.074 1.528 1.00 0.00 C ATOM 668 O VAL A 121 -0.635 -8.242 2.416 1.00 0.00 O ATOM 669 CB VAL A 121 -0.795 -9.021 -0.981 1.00 0.00 C ATOM 670 CG1 VAL A 121 -1.850 -7.926 -0.839 1.00 0.00 C ATOM 671 CG2 VAL A 121 0.090 -8.709 -2.193 1.00 0.00 C ATOM 0 H VAL A 121 0.760 -10.885 -0.579 1.00 0.00 H new ATOM 0 HA VAL A 121 0.747 -8.240 0.301 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.294 -9.980 -1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.457 -7.886 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.489 -8.145 0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.359 -6.965 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.527 -8.654 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.593 -7.754 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.834 -9.496 -2.312 1.00 0.00 H new ATOM 681 N ASP A 122 -1.742 -10.014 1.589 1.00 0.00 N ATOM 682 CA ASP A 122 -2.648 -10.121 2.726 1.00 0.00 C ATOM 683 C ASP A 122 -1.868 -9.984 4.035 1.00 0.00 C ATOM 684 O ASP A 122 -2.300 -9.283 4.950 1.00 0.00 O ATOM 685 CB ASP A 122 -3.361 -11.478 2.665 1.00 0.00 C ATOM 686 CG ASP A 122 -4.300 -11.652 3.853 1.00 0.00 C ATOM 687 OD1 ASP A 122 -4.304 -10.786 4.711 1.00 0.00 O ATOM 688 OD2 ASP A 122 -4.999 -12.652 3.886 1.00 0.00 O ATOM 0 H ASP A 122 -1.893 -10.715 0.863 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.387 -9.321 2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.925 -11.556 1.736 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.624 -12.281 2.658 1.00 0.00 H new ATOM 693 N GLU A 123 -0.711 -10.643 4.115 1.00 0.00 N ATOM 694 CA GLU A 123 0.117 -10.560 5.313 1.00 0.00 C ATOM 695 C GLU A 123 0.751 -9.167 5.432 1.00 0.00 C ATOM 696 O GLU A 123 0.937 -8.645 6.531 1.00 0.00 O ATOM 697 CB GLU A 123 1.213 -11.629 5.281 1.00 0.00 C ATOM 698 CG GLU A 123 1.952 -11.663 6.627 1.00 0.00 C ATOM 699 CD GLU A 123 1.047 -12.249 7.709 1.00 0.00 C ATOM 700 OE1 GLU A 123 -0.031 -12.707 7.368 1.00 0.00 O ATOM 701 OE2 GLU A 123 1.447 -12.233 8.861 1.00 0.00 O ATOM 0 H GLU A 123 -0.332 -11.232 3.374 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.520 -10.733 6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.775 -12.605 5.072 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.916 -11.417 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.859 -12.261 6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 123 2.261 -10.656 6.907 1.00 0.00 H new ATOM 708 N MET A 124 1.095 -8.574 4.288 1.00 0.00 N ATOM 709 CA MET A 124 1.721 -7.248 4.262 1.00 0.00 C ATOM 710 C MET A 124 0.941 -6.252 5.115 1.00 0.00 C ATOM 711 O MET A 124 1.411 -5.818 6.166 1.00 0.00 O ATOM 712 CB MET A 124 1.773 -6.736 2.811 1.00 0.00 C ATOM 713 CG MET A 124 2.769 -5.579 2.690 1.00 0.00 C ATOM 714 SD MET A 124 2.791 -4.979 0.979 1.00 0.00 S ATOM 715 CE MET A 124 4.150 -6.019 0.388 1.00 0.00 C ATOM 0 H MET A 124 0.952 -8.989 3.367 1.00 0.00 H new ATOM 0 HA MET A 124 2.728 -7.338 4.669 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.064 -7.546 2.143 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.782 -6.406 2.499 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.489 -4.771 3.367 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.765 -5.910 2.984 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.337 -5.810 -0.665 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.049 -5.805 0.966 1.00 0.00 H new ATOM 0 HE3 MET A 124 3.883 -7.069 0.507 1.00 0.00 H new ATOM 725 N ILE A 125 -0.258 -5.906 4.665 1.00 0.00 N ATOM 726 CA ILE A 125 -1.088 -4.961 5.396 1.00 0.00 C ATOM 727 C ILE A 125 -1.251 -5.417 6.847 1.00 0.00 C ATOM 728 O ILE A 125 -1.155 -4.612 7.771 1.00 0.00 O ATOM 729 CB ILE A 125 -2.474 -4.852 4.722 1.00 0.00 C ATOM 730 CG1 ILE A 125 -2.366 -3.958 3.480 1.00 0.00 C ATOM 731 CG2 ILE A 125 -3.496 -4.248 5.700 1.00 0.00 C ATOM 732 CD1 ILE A 125 -3.728 -3.886 2.787 1.00 0.00 C ATOM 0 H ILE A 125 -0.674 -6.263 3.805 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.605 -3.984 5.385 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.808 -5.849 4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -2.037 -2.959 3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.618 -4.357 2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.468 -4.177 5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.578 -4.885 6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -3.167 -3.253 6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.654 -3.251 1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.038 -4.888 2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.464 -3.468 3.474 1.00 0.00 H new ATOM 744 N ARG A 126 -1.517 -6.698 7.030 1.00 0.00 N ATOM 745 CA ARG A 126 -1.721 -7.249 8.365 1.00 0.00 C ATOM 746 C ARG A 126 -0.573 -6.890 9.301 1.00 0.00 C ATOM 747 O ARG A 126 -0.804 -6.546 10.459 1.00 0.00 O ATOM 748 CB ARG A 126 -1.859 -8.771 8.265 1.00 0.00 C ATOM 749 CG ARG A 126 -3.194 -9.130 7.591 1.00 0.00 C ATOM 750 CD ARG A 126 -4.316 -9.167 8.632 1.00 0.00 C ATOM 751 NE ARG A 126 -5.597 -9.370 7.979 1.00 0.00 N ATOM 752 CZ ARG A 126 -6.698 -9.533 8.689 1.00 0.00 C ATOM 753 NH1 ARG A 126 -6.631 -9.515 9.989 1.00 0.00 N ATOM 754 NH2 ARG A 126 -7.839 -9.721 8.089 1.00 0.00 N ATOM 0 H ARG A 126 -1.597 -7.378 6.274 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.632 -6.818 8.781 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.029 -9.184 7.691 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -1.812 -9.216 9.259 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.428 -8.398 6.818 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -3.113 -10.099 7.098 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -4.133 -9.969 9.347 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.330 -8.234 9.196 1.00 0.00 H new ATOM 0 HE ARG A 126 -5.647 -9.387 6.960 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.733 -9.376 10.451 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -7.477 -9.640 10.545 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -7.882 -9.742 7.070 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -8.689 -9.847 8.638 1.00 0.00 H new ATOM 768 N GLU A 127 0.660 -6.972 8.811 1.00 0.00 N ATOM 769 CA GLU A 127 1.813 -6.638 9.642 1.00 0.00 C ATOM 770 C GLU A 127 2.025 -5.119 9.698 1.00 0.00 C ATOM 771 O GLU A 127 2.283 -4.561 10.765 1.00 0.00 O ATOM 772 CB GLU A 127 3.068 -7.337 9.101 1.00 0.00 C ATOM 773 CG GLU A 127 2.909 -8.860 9.224 1.00 0.00 C ATOM 774 CD GLU A 127 2.869 -9.276 10.691 1.00 0.00 C ATOM 775 OE1 GLU A 127 3.315 -8.500 11.520 1.00 0.00 O ATOM 776 OE2 GLU A 127 2.396 -10.368 10.965 1.00 0.00 O ATOM 0 H GLU A 127 0.885 -7.262 7.859 1.00 0.00 H new ATOM 0 HA GLU A 127 1.623 -6.988 10.657 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.228 -7.062 8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.947 -7.008 9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.994 -9.178 8.725 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.737 -9.360 8.721 1.00 0.00 H new ATOM 783 N ALA A 128 1.910 -4.457 8.546 1.00 0.00 N ATOM 784 CA ALA A 128 2.089 -3.006 8.484 1.00 0.00 C ATOM 785 C ALA A 128 1.017 -2.292 9.305 1.00 0.00 C ATOM 786 O ALA A 128 1.322 -1.504 10.198 1.00 0.00 O ATOM 787 CB ALA A 128 2.015 -2.543 7.027 1.00 0.00 C ATOM 0 H ALA A 128 1.696 -4.897 7.651 1.00 0.00 H new ATOM 0 HA ALA A 128 3.065 -2.758 8.900 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.148 -1.462 6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.801 -3.030 6.450 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.043 -2.806 6.610 1.00 0.00 H new ATOM 793 N ASP A 129 -0.243 -2.586 9.002 1.00 0.00 N ATOM 794 CA ASP A 129 -1.362 -1.968 9.715 1.00 0.00 C ATOM 795 C ASP A 129 -1.106 -1.969 11.219 1.00 0.00 C ATOM 796 O ASP A 129 -0.706 -2.982 11.789 1.00 0.00 O ATOM 797 CB ASP A 129 -2.652 -2.742 9.420 1.00 0.00 C ATOM 798 CG ASP A 129 -3.847 -2.058 10.069 1.00 0.00 C ATOM 799 OD1 ASP A 129 -3.660 -1.426 11.095 1.00 0.00 O ATOM 800 OD2 ASP A 129 -4.940 -2.178 9.529 1.00 0.00 O ATOM 0 H ASP A 129 -0.517 -3.244 8.272 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.463 -0.937 9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -2.805 -2.808 8.343 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.564 -3.763 9.793 1.00 0.00 H new ATOM 805 N ILE A 130 -1.327 -0.822 11.855 1.00 0.00 N ATOM 806 CA ILE A 130 -1.109 -0.700 13.303 1.00 0.00 C ATOM 807 C ILE A 130 -2.406 -0.970 14.063 1.00 0.00 C ATOM 808 O ILE A 130 -2.388 -1.417 15.208 1.00 0.00 O ATOM 809 CB ILE A 130 -0.589 0.705 13.648 1.00 0.00 C ATOM 810 CG1 ILE A 130 0.685 0.983 12.849 1.00 0.00 C ATOM 811 CG2 ILE A 130 -0.269 0.781 15.150 1.00 0.00 C ATOM 812 CD1 ILE A 130 1.234 2.364 13.222 1.00 0.00 C ATOM 0 H ILE A 130 -1.654 0.031 11.401 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.365 -1.439 13.600 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.350 1.444 13.399 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.431 0.216 13.056 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.473 0.941 11.781 1.00 0.00 H new ATOM 0 HG21 ILE A 130 0.100 1.777 15.394 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.172 0.578 15.725 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.493 0.042 15.398 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.142 2.561 12.652 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.489 3.126 12.992 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.462 2.389 14.288 1.00 0.00 H new ATOM 824 N ASP A 131 -3.529 -0.686 13.413 1.00 0.00 N ATOM 825 CA ASP A 131 -4.850 -0.891 14.026 1.00 0.00 C ATOM 826 C ASP A 131 -5.441 -2.238 13.602 1.00 0.00 C ATOM 827 O ASP A 131 -6.506 -2.638 14.071 1.00 0.00 O ATOM 828 CB ASP A 131 -5.789 0.243 13.604 1.00 0.00 C ATOM 829 CG ASP A 131 -7.009 0.298 14.516 1.00 0.00 C ATOM 830 OD1 ASP A 131 -6.859 0.027 15.695 1.00 0.00 O ATOM 831 OD2 ASP A 131 -8.078 0.613 14.018 1.00 0.00 O ATOM 0 H ASP A 131 -3.559 -0.314 12.464 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.737 -0.891 15.110 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -5.258 1.194 13.640 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -6.106 0.094 12.572 1.00 0.00 H new ATOM 836 N GLY A 132 -4.737 -2.931 12.706 1.00 0.00 N ATOM 837 CA GLY A 132 -5.193 -4.233 12.224 1.00 0.00 C ATOM 838 C GLY A 132 -6.681 -4.206 11.894 1.00 0.00 C ATOM 839 O GLY A 132 -7.484 -4.876 12.544 1.00 0.00 O ATOM 0 H GLY A 132 -3.855 -2.615 12.302 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -4.626 -4.515 11.337 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -4.999 -4.993 12.981 1.00 0.00 H new ATOM 843 N ASP A 133 -7.041 -3.410 10.886 1.00 0.00 N ATOM 844 CA ASP A 133 -8.438 -3.276 10.468 1.00 0.00 C ATOM 845 C ASP A 133 -8.596 -3.582 8.983 1.00 0.00 C ATOM 846 O ASP A 133 -9.634 -4.082 8.550 1.00 0.00 O ATOM 847 CB ASP A 133 -8.906 -1.847 10.745 1.00 0.00 C ATOM 848 CG ASP A 133 -8.070 -0.861 9.940 1.00 0.00 C ATOM 849 OD1 ASP A 133 -6.854 -0.912 10.053 1.00 0.00 O ATOM 850 OD2 ASP A 133 -8.654 -0.066 9.220 1.00 0.00 O ATOM 0 H ASP A 133 -6.385 -2.848 10.344 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.041 -3.988 11.031 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.959 -1.743 10.483 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.819 -1.627 11.809 1.00 0.00 H new ATOM 855 N GLY A 134 -7.555 -3.287 8.204 1.00 0.00 N ATOM 856 CA GLY A 134 -7.582 -3.533 6.758 1.00 0.00 C ATOM 857 C GLY A 134 -7.353 -2.251 5.969 1.00 0.00 C ATOM 858 O GLY A 134 -7.296 -2.283 4.742 1.00 0.00 O ATOM 0 H GLY A 134 -6.685 -2.879 8.546 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -6.816 -4.263 6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.543 -3.966 6.480 1.00 0.00 H new ATOM 862 N GLN A 135 -7.216 -1.128 6.666 1.00 0.00 N ATOM 863 CA GLN A 135 -6.985 0.158 5.997 1.00 0.00 C ATOM 864 C GLN A 135 -5.675 0.750 6.479 1.00 0.00 C ATOM 865 O GLN A 135 -5.535 1.105 7.648 1.00 0.00 O ATOM 866 CB GLN A 135 -8.150 1.119 6.277 1.00 0.00 C ATOM 867 CG GLN A 135 -9.465 0.482 5.802 1.00 0.00 C ATOM 868 CD GLN A 135 -9.419 0.175 4.302 1.00 0.00 C ATOM 869 OE1 GLN A 135 -9.495 1.084 3.474 1.00 0.00 O ATOM 870 NE2 GLN A 135 -9.295 -1.062 3.901 1.00 0.00 N ATOM 0 H GLN A 135 -7.259 -1.076 7.684 1.00 0.00 H new ATOM 0 HA GLN A 135 -6.927 0.000 4.920 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.205 1.340 7.343 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -7.986 2.066 5.763 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -9.650 -0.437 6.359 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -10.296 1.155 6.013 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -9.232 -1.816 4.585 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -9.261 -1.274 2.904 1.00 0.00 H new ATOM 879 N VAL A 136 -4.713 0.873 5.561 1.00 0.00 N ATOM 880 CA VAL A 136 -3.405 1.442 5.919 1.00 0.00 C ATOM 881 C VAL A 136 -3.243 2.830 5.302 1.00 0.00 C ATOM 882 O VAL A 136 -3.446 3.011 4.100 1.00 0.00 O ATOM 883 CB VAL A 136 -2.271 0.538 5.425 1.00 0.00 C ATOM 884 CG1 VAL A 136 -0.945 1.042 5.984 1.00 0.00 C ATOM 885 CG2 VAL A 136 -2.498 -0.894 5.893 1.00 0.00 C ATOM 0 H VAL A 136 -4.807 0.594 4.584 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.357 1.519 7.005 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.250 0.559 4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.136 0.401 5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -0.772 2.063 5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.979 1.023 7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -1.686 -1.527 5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -2.526 -0.921 6.982 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.445 -1.261 5.496 1.00 0.00 H new ATOM 895 N ASN A 137 -2.873 3.793 6.141 1.00 0.00 N ATOM 896 CA ASN A 137 -2.669 5.159 5.674 1.00 0.00 C ATOM 897 C ASN A 137 -1.440 5.215 4.764 1.00 0.00 C ATOM 898 O ASN A 137 -1.093 4.224 4.115 1.00 0.00 O ATOM 899 CB ASN A 137 -2.482 6.093 6.865 1.00 0.00 C ATOM 900 CG ASN A 137 -3.684 5.995 7.797 1.00 0.00 C ATOM 901 OD1 ASN A 137 -3.668 5.129 8.773 1.00 0.00 O flip ATOM 902 ND2 ASN A 137 -4.665 6.715 7.623 1.00 0.00 N flip ATOM 0 H ASN A 137 -2.710 3.655 7.138 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.545 5.480 5.110 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.571 5.831 7.404 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.363 7.119 6.518 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.673 7.390 6.859 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -5.471 6.637 8.243 1.00 0.00 H new ATOM 909 N TYR A 138 -0.797 6.379 4.711 1.00 0.00 N ATOM 910 CA TYR A 138 0.390 6.558 3.875 1.00 0.00 C ATOM 911 C TYR A 138 1.661 6.109 4.609 1.00 0.00 C ATOM 912 O TYR A 138 2.410 5.286 4.100 1.00 0.00 O ATOM 913 CB TYR A 138 0.507 8.034 3.468 1.00 0.00 C ATOM 914 CG TYR A 138 -0.856 8.547 3.049 1.00 0.00 C ATOM 915 CD1 TYR A 138 -1.414 8.130 1.835 1.00 0.00 C ATOM 916 CD2 TYR A 138 -1.562 9.430 3.877 1.00 0.00 C ATOM 917 CE1 TYR A 138 -2.677 8.597 1.447 1.00 0.00 C ATOM 918 CE2 TYR A 138 -2.827 9.896 3.488 1.00 0.00 C ATOM 919 CZ TYR A 138 -3.382 9.479 2.274 1.00 0.00 C ATOM 920 OH TYR A 138 -4.627 9.937 1.891 1.00 0.00 O ATOM 0 H TYR A 138 -1.075 7.209 5.234 1.00 0.00 H new ATOM 0 HA TYR A 138 0.285 5.938 2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 138 0.890 8.624 4.301 1.00 0.00 H new ATOM 0 HB3 TYR A 138 1.217 8.142 2.648 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -0.871 7.448 1.197 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -1.133 9.752 4.814 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.107 8.276 0.509 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -3.372 10.576 4.126 1.00 0.00 H new ATOM 0 HH TYR A 138 -4.980 10.540 2.578 1.00 0.00 H new ATOM 930 N GLU A 139 1.895 6.654 5.803 1.00 0.00 N ATOM 931 CA GLU A 139 3.085 6.302 6.583 1.00 0.00 C ATOM 932 C GLU A 139 3.088 4.826 6.947 1.00 0.00 C ATOM 933 O GLU A 139 3.939 4.072 6.449 1.00 0.00 O ATOM 934 CB GLU A 139 3.159 7.161 7.840 1.00 0.00 C ATOM 935 CG GLU A 139 3.275 8.642 7.433 1.00 0.00 C ATOM 936 CD GLU A 139 1.889 9.221 7.153 1.00 0.00 C ATOM 937 OE1 GLU A 139 0.931 8.469 7.188 1.00 0.00 O ATOM 938 OE2 GLU A 139 1.810 10.409 6.908 1.00 0.00 O ATOM 0 H GLU A 139 1.282 7.336 6.250 1.00 0.00 H new ATOM 0 HA GLU A 139 3.964 6.495 5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 139 2.271 7.008 8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.017 6.869 8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 139 3.760 9.208 8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 139 3.902 8.735 6.546 1.00 0.00 H new ATOM 945 N GLU A 140 2.138 4.428 7.815 1.00 0.00 N ATOM 946 CA GLU A 140 2.014 3.027 8.242 1.00 0.00 C ATOM 947 C GLU A 140 2.442 2.099 7.102 1.00 0.00 C ATOM 948 O GLU A 140 2.966 1.008 7.328 1.00 0.00 O ATOM 949 CB GLU A 140 0.555 2.722 8.591 1.00 0.00 C ATOM 950 CG GLU A 140 0.133 3.461 9.862 1.00 0.00 C ATOM 951 CD GLU A 140 -1.356 3.263 10.115 1.00 0.00 C ATOM 952 OE1 GLU A 140 -1.983 2.555 9.336 1.00 0.00 O ATOM 953 OE2 GLU A 140 -1.852 3.818 11.089 1.00 0.00 O ATOM 0 H GLU A 140 1.450 5.056 8.231 1.00 0.00 H new ATOM 0 HA GLU A 140 2.650 2.868 9.113 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -0.090 3.016 7.763 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.427 1.649 8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.706 3.093 10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.355 4.524 9.764 1.00 0.00 H new ATOM 960 N PHE A 141 2.238 2.567 5.868 1.00 0.00 N ATOM 961 CA PHE A 141 2.621 1.805 4.692 1.00 0.00 C ATOM 962 C PHE A 141 4.056 2.126 4.282 1.00 0.00 C ATOM 963 O PHE A 141 4.877 1.218 4.154 1.00 0.00 O ATOM 964 CB PHE A 141 1.665 2.132 3.536 1.00 0.00 C ATOM 965 CG PHE A 141 1.617 0.977 2.556 1.00 0.00 C ATOM 966 CD1 PHE A 141 2.778 0.575 1.884 1.00 0.00 C ATOM 967 CD2 PHE A 141 0.413 0.311 2.319 1.00 0.00 C ATOM 968 CE1 PHE A 141 2.733 -0.487 0.980 1.00 0.00 C ATOM 969 CE2 PHE A 141 0.367 -0.751 1.417 1.00 0.00 C ATOM 970 CZ PHE A 141 1.526 -1.152 0.746 1.00 0.00 C ATOM 0 H PHE A 141 1.810 3.470 5.664 1.00 0.00 H new ATOM 0 HA PHE A 141 2.561 0.743 4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.666 2.330 3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.994 3.038 3.027 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.711 1.088 2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.484 0.619 2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.629 -0.795 0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.566 -1.265 1.236 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.489 -1.975 0.047 1.00 0.00 H new ATOM 980 N VAL A 142 4.340 3.412 4.039 1.00 0.00 N ATOM 981 CA VAL A 142 5.676 3.832 3.603 1.00 0.00 C ATOM 982 C VAL A 142 6.749 2.924 4.195 1.00 0.00 C ATOM 983 O VAL A 142 7.504 2.280 3.465 1.00 0.00 O ATOM 984 CB VAL A 142 5.926 5.278 4.043 1.00 0.00 C ATOM 985 CG1 VAL A 142 7.412 5.627 3.910 1.00 0.00 C ATOM 986 CG2 VAL A 142 5.100 6.244 3.161 1.00 0.00 C ATOM 0 H VAL A 142 3.668 4.173 4.136 1.00 0.00 H new ATOM 0 HA VAL A 142 5.725 3.763 2.516 1.00 0.00 H new ATOM 0 HB VAL A 142 5.625 5.379 5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.573 6.658 4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.000 4.958 4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.721 5.514 2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.281 7.271 3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.396 6.128 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.040 6.014 3.264 1.00 0.00 H new ATOM 996 N GLN A 143 6.803 2.876 5.526 1.00 0.00 N ATOM 997 CA GLN A 143 7.796 2.045 6.201 1.00 0.00 C ATOM 998 C GLN A 143 7.924 0.685 5.504 1.00 0.00 C ATOM 999 O GLN A 143 8.935 0.407 4.858 1.00 0.00 O ATOM 1000 CB GLN A 143 7.373 1.837 7.662 1.00 0.00 C ATOM 1001 CG GLN A 143 7.385 3.180 8.407 1.00 0.00 C ATOM 1002 CD GLN A 143 8.805 3.737 8.478 1.00 0.00 C ATOM 1003 OE1 GLN A 143 9.717 3.054 8.951 1.00 0.00 O ATOM 1004 NE2 GLN A 143 9.049 4.943 8.041 1.00 0.00 N ATOM 0 H GLN A 143 6.182 3.393 6.148 1.00 0.00 H new ATOM 0 HA GLN A 143 8.763 2.547 6.162 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.376 1.398 7.702 1.00 0.00 H new ATOM 0 HB3 GLN A 143 8.050 1.135 8.149 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.734 3.891 7.899 1.00 0.00 H new ATOM 0 HG3 GLN A 143 6.989 3.048 9.414 1.00 0.00 H new ATOM 0 HE21 GLN A 143 8.294 5.506 7.650 1.00 0.00 H new ATOM 0 HE22 GLN A 143 9.995 5.322 8.090 1.00 0.00 H new ATOM 1013 N MET A 144 6.896 -0.145 5.621 1.00 0.00 N ATOM 1014 CA MET A 144 6.918 -1.466 4.992 1.00 0.00 C ATOM 1015 C MET A 144 7.467 -1.364 3.565 1.00 0.00 C ATOM 1016 O MET A 144 8.369 -2.109 3.185 1.00 0.00 O ATOM 1017 CB MET A 144 5.502 -2.047 4.960 1.00 0.00 C ATOM 1018 CG MET A 144 5.546 -3.505 4.496 1.00 0.00 C ATOM 1019 SD MET A 144 6.376 -4.518 5.754 1.00 0.00 S ATOM 1020 CE MET A 144 4.955 -5.529 6.226 1.00 0.00 C ATOM 0 H MET A 144 6.043 0.066 6.139 1.00 0.00 H new ATOM 0 HA MET A 144 7.565 -2.122 5.573 1.00 0.00 H new ATOM 0 HB2 MET A 144 5.052 -1.985 5.951 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.875 -1.461 4.288 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.535 -3.874 4.326 1.00 0.00 H new ATOM 0 HG3 MET A 144 6.076 -3.579 3.546 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.268 -6.280 6.951 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.188 -4.894 6.669 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.551 -6.024 5.343 1.00 0.00 H new ATOM 1030 N MET A 145 6.919 -0.436 2.783 1.00 0.00 N ATOM 1031 CA MET A 145 7.361 -0.246 1.403 1.00 0.00 C ATOM 1032 C MET A 145 8.842 0.104 1.351 1.00 0.00 C ATOM 1033 O MET A 145 9.343 0.834 2.206 1.00 0.00 O ATOM 1034 CB MET A 145 6.546 0.871 0.748 1.00 0.00 C ATOM 1035 CG MET A 145 7.046 1.116 -0.676 1.00 0.00 C ATOM 1036 SD MET A 145 5.922 2.256 -1.524 1.00 0.00 S ATOM 1037 CE MET A 145 6.541 3.785 -0.778 1.00 0.00 C ATOM 0 H MET A 145 6.172 0.193 3.079 1.00 0.00 H new ATOM 0 HA MET A 145 7.206 -1.179 0.861 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.490 0.600 0.730 1.00 0.00 H new ATOM 0 HB3 MET A 145 6.630 1.786 1.334 1.00 0.00 H new ATOM 0 HG2 MET A 145 8.053 1.532 -0.652 1.00 0.00 H new ATOM 0 HG3 MET A 145 7.103 0.173 -1.220 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.120 4.642 -1.303 1.00 0.00 H new ATOM 0 HE2 MET A 145 6.248 3.822 0.271 1.00 0.00 H new ATOM 0 HE3 MET A 145 7.628 3.812 -0.852 1.00 0.00 H new