USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 435 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 135 SER OG : rot 180:sc= -0.107 USER MOD Set 1.2: A 136 ASN : amide:sc= 0 K(o=-0.11,f=-1.4) USER MOD Single : A 85 THR OG1 : rot 180:sc=-0.00301 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot -175:sc= 0.0225 USER MOD Single : A 97 THR OG1 : rot -152:sc= 0.0662! USER MOD Single : A 102 SER OG : rot 180:sc=-0.000839 USER MOD Single : A 104 HIS : no HE2:sc= -1.05 K(o=-1.1,f=-3.7!) USER MOD Single : A 105 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.034) USER MOD Single : A 108 LYS NZ :NH3+ -147:sc= -0.054 (180deg=-0.744) USER MOD Single : A 110 GLN : amide:sc= -3.88! C(o=-3.9!,f=-2.9!) USER MOD Single : A 113 ASN : amide:sc= -0.893 K(o=-0.89,f=-5!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0.0471 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot -139:sc= 0.741 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 84 -11.428 3.390 -13.194 1.00 0.00 N ATOM 2 CA VAL A 84 -12.344 4.218 -12.358 1.00 0.00 C ATOM 3 C VAL A 84 -11.852 4.215 -10.909 1.00 0.00 C ATOM 4 O VAL A 84 -12.591 4.510 -9.992 1.00 0.00 O ATOM 5 CB VAL A 84 -13.756 3.635 -12.422 1.00 0.00 C ATOM 6 CG1 VAL A 84 -14.221 3.583 -13.878 1.00 0.00 C ATOM 7 CG2 VAL A 84 -13.750 2.219 -11.839 1.00 0.00 C ATOM 0 HA VAL A 84 -12.357 5.241 -12.733 1.00 0.00 H new ATOM 0 HB VAL A 84 -14.435 4.264 -11.846 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -15.228 3.167 -13.924 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -14.225 4.590 -14.295 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -13.542 2.954 -14.454 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -14.756 1.803 -11.884 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -13.071 1.591 -12.416 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -13.418 2.254 -10.801 1.00 0.00 H new ATOM 19 N THR A 85 -10.606 3.889 -10.698 1.00 0.00 N ATOM 20 CA THR A 85 -10.061 3.871 -9.312 1.00 0.00 C ATOM 21 C THR A 85 -8.603 4.335 -9.343 1.00 0.00 C ATOM 22 O THR A 85 -7.688 3.536 -9.369 1.00 0.00 O ATOM 23 CB THR A 85 -10.135 2.448 -8.753 1.00 0.00 C ATOM 24 OG1 THR A 85 -10.916 1.640 -9.621 1.00 0.00 O ATOM 25 CG2 THR A 85 -10.774 2.475 -7.363 1.00 0.00 C ATOM 0 H THR A 85 -9.941 3.634 -11.428 1.00 0.00 H new ATOM 0 HA THR A 85 -10.645 4.537 -8.677 1.00 0.00 H new ATOM 0 HB THR A 85 -9.129 2.034 -8.679 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.963 0.728 -9.265 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.826 1.461 -6.967 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.172 3.094 -6.698 1.00 0.00 H new ATOM 0 HG23 THR A 85 -11.780 2.889 -7.433 1.00 0.00 H new ATOM 33 N LEU A 86 -8.380 5.622 -9.352 1.00 0.00 N ATOM 34 CA LEU A 86 -6.980 6.133 -9.395 1.00 0.00 C ATOM 35 C LEU A 86 -6.586 6.707 -8.032 1.00 0.00 C ATOM 36 O LEU A 86 -7.369 7.355 -7.367 1.00 0.00 O ATOM 37 CB LEU A 86 -6.872 7.228 -10.456 1.00 0.00 C ATOM 38 CG LEU A 86 -6.057 6.709 -11.642 1.00 0.00 C ATOM 39 CD1 LEU A 86 -6.990 6.452 -12.828 1.00 0.00 C ATOM 40 CD2 LEU A 86 -5.009 7.753 -12.035 1.00 0.00 C ATOM 0 H LEU A 86 -9.105 6.339 -9.331 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.309 5.311 -9.642 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.866 7.528 -10.787 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.396 8.113 -10.034 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.559 5.780 -11.363 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.410 6.082 -13.674 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.738 5.710 -12.548 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.487 7.381 -13.108 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.427 7.385 -12.880 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.507 8.681 -12.315 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.345 7.938 -11.191 1.00 0.00 H new ATOM 52 N PHE A 87 -5.369 6.477 -7.622 1.00 0.00 N ATOM 53 CA PHE A 87 -4.898 7.007 -6.312 1.00 0.00 C ATOM 54 C PHE A 87 -3.488 7.577 -6.487 1.00 0.00 C ATOM 55 O PHE A 87 -2.885 7.450 -7.535 1.00 0.00 O ATOM 56 CB PHE A 87 -4.864 5.875 -5.281 1.00 0.00 C ATOM 57 CG PHE A 87 -6.264 5.355 -5.050 1.00 0.00 C ATOM 58 CD1 PHE A 87 -6.955 4.715 -6.087 1.00 0.00 C ATOM 59 CD2 PHE A 87 -6.871 5.513 -3.798 1.00 0.00 C ATOM 60 CE1 PHE A 87 -8.252 4.235 -5.871 1.00 0.00 C ATOM 61 CE2 PHE A 87 -8.169 5.033 -3.584 1.00 0.00 C ATOM 62 CZ PHE A 87 -8.859 4.395 -4.620 1.00 0.00 C ATOM 0 H PHE A 87 -4.676 5.940 -8.143 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.575 7.788 -5.966 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.220 5.069 -5.632 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.440 6.236 -4.344 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.487 4.592 -7.053 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.338 6.005 -2.998 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.785 3.741 -6.670 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.637 5.155 -2.619 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.860 4.026 -4.455 1.00 0.00 H new ATOM 72 N VAL A 88 -2.956 8.203 -5.474 1.00 0.00 N ATOM 73 CA VAL A 88 -1.584 8.774 -5.594 1.00 0.00 C ATOM 74 C VAL A 88 -0.816 8.520 -4.295 1.00 0.00 C ATOM 75 O VAL A 88 -1.389 8.475 -3.224 1.00 0.00 O ATOM 76 CB VAL A 88 -1.665 10.283 -5.848 1.00 0.00 C ATOM 77 CG1 VAL A 88 -0.510 10.707 -6.757 1.00 0.00 C ATOM 78 CG2 VAL A 88 -2.995 10.626 -6.527 1.00 0.00 C ATOM 0 H VAL A 88 -3.409 8.344 -4.571 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.069 8.298 -6.428 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.599 10.811 -4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.565 11.780 -6.939 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.438 10.469 -6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.579 10.174 -7.705 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.046 11.700 -6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.065 10.097 -7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.821 10.325 -5.882 1.00 0.00 H new ATOM 88 N ALA A 89 0.475 8.353 -4.382 1.00 0.00 N ATOM 89 CA ALA A 89 1.276 8.102 -3.152 1.00 0.00 C ATOM 90 C ALA A 89 1.471 9.416 -2.394 1.00 0.00 C ATOM 91 O ALA A 89 2.194 10.293 -2.826 1.00 0.00 O ATOM 92 CB ALA A 89 2.638 7.523 -3.538 1.00 0.00 C ATOM 0 H ALA A 89 1.009 8.380 -5.251 1.00 0.00 H new ATOM 0 HA ALA A 89 0.750 7.391 -2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.224 7.340 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.496 6.586 -4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.166 8.231 -4.177 1.00 0.00 H new ATOM 98 N LEU A 90 0.829 9.561 -1.267 1.00 0.00 N ATOM 99 CA LEU A 90 0.974 10.819 -0.481 1.00 0.00 C ATOM 100 C LEU A 90 2.420 10.967 -0.004 1.00 0.00 C ATOM 101 O LEU A 90 2.821 12.007 0.476 1.00 0.00 O ATOM 102 CB LEU A 90 0.042 10.772 0.731 1.00 0.00 C ATOM 103 CG LEU A 90 -1.389 10.499 0.266 1.00 0.00 C ATOM 104 CD1 LEU A 90 -2.109 9.638 1.305 1.00 0.00 C ATOM 105 CD2 LEU A 90 -2.132 11.826 0.100 1.00 0.00 C ATOM 0 H LEU A 90 0.210 8.862 -0.856 1.00 0.00 H new ATOM 0 HA LEU A 90 0.713 11.669 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.366 9.993 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.085 11.717 1.273 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.366 9.972 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.129 9.444 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.580 8.692 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.132 10.163 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.152 11.633 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.154 12.352 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.620 12.440 -0.641 1.00 0.00 H new ATOM 117 N TYR A 91 3.208 9.935 -0.136 1.00 0.00 N ATOM 118 CA TYR A 91 4.627 10.019 0.311 1.00 0.00 C ATOM 119 C TYR A 91 5.480 9.052 -0.511 1.00 0.00 C ATOM 120 O TYR A 91 5.064 8.565 -1.543 1.00 0.00 O ATOM 121 CB TYR A 91 4.723 9.644 1.792 1.00 0.00 C ATOM 122 CG TYR A 91 3.547 10.222 2.544 1.00 0.00 C ATOM 123 CD1 TYR A 91 3.570 11.560 2.958 1.00 0.00 C ATOM 124 CD2 TYR A 91 2.436 9.420 2.829 1.00 0.00 C ATOM 125 CE1 TYR A 91 2.482 12.094 3.660 1.00 0.00 C ATOM 126 CE2 TYR A 91 1.348 9.954 3.530 1.00 0.00 C ATOM 127 CZ TYR A 91 1.371 11.291 3.944 1.00 0.00 C ATOM 128 OH TYR A 91 0.299 11.818 4.636 1.00 0.00 O ATOM 0 H TYR A 91 2.930 9.038 -0.534 1.00 0.00 H new ATOM 0 HA TYR A 91 4.989 11.037 0.169 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.739 8.560 1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.656 10.021 2.212 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.426 12.180 2.736 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.418 8.389 2.508 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.500 13.125 3.982 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.491 9.335 3.751 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.388 11.129 4.749 1.00 0.00 H new ATOM 138 N ASP A 92 6.671 8.767 -0.058 1.00 0.00 N ATOM 139 CA ASP A 92 7.551 7.829 -0.810 1.00 0.00 C ATOM 140 C ASP A 92 7.613 6.492 -0.069 1.00 0.00 C ATOM 141 O ASP A 92 7.140 6.367 1.045 1.00 0.00 O ATOM 142 CB ASP A 92 8.957 8.421 -0.916 1.00 0.00 C ATOM 143 CG ASP A 92 9.591 8.485 0.476 1.00 0.00 C ATOM 144 OD1 ASP A 92 9.762 7.437 1.076 1.00 0.00 O ATOM 145 OD2 ASP A 92 9.895 9.581 0.916 1.00 0.00 O ATOM 0 H ASP A 92 7.072 9.144 0.801 1.00 0.00 H new ATOM 0 HA ASP A 92 7.149 7.674 -1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.571 7.811 -1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.911 9.419 -1.352 1.00 0.00 H new ATOM 150 N TYR A 93 8.189 5.491 -0.673 1.00 0.00 N ATOM 151 CA TYR A 93 8.275 4.167 0.003 1.00 0.00 C ATOM 152 C TYR A 93 9.409 3.345 -0.612 1.00 0.00 C ATOM 153 O TYR A 93 9.538 3.250 -1.818 1.00 0.00 O ATOM 154 CB TYR A 93 6.953 3.417 -0.170 1.00 0.00 C ATOM 155 CG TYR A 93 6.981 2.151 0.652 1.00 0.00 C ATOM 156 CD1 TYR A 93 7.054 2.224 2.048 1.00 0.00 C ATOM 157 CD2 TYR A 93 6.933 0.903 0.017 1.00 0.00 C ATOM 158 CE1 TYR A 93 7.079 1.048 2.810 1.00 0.00 C ATOM 159 CE2 TYR A 93 6.958 -0.271 0.779 1.00 0.00 C ATOM 160 CZ TYR A 93 7.031 -0.198 2.175 1.00 0.00 C ATOM 161 OH TYR A 93 7.055 -1.355 2.927 1.00 0.00 O ATOM 0 H TYR A 93 8.603 5.532 -1.604 1.00 0.00 H new ATOM 0 HA TYR A 93 8.473 4.319 1.064 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.121 4.048 0.143 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.794 3.177 -1.221 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.091 3.186 2.538 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.877 0.847 -1.060 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.135 1.103 3.887 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.921 -1.233 0.290 1.00 0.00 H new ATOM 0 HH TYR A 93 7.091 -2.132 2.331 1.00 0.00 H new ATOM 171 N GLU A 94 10.227 2.748 0.211 1.00 0.00 N ATOM 172 CA GLU A 94 11.354 1.927 -0.314 1.00 0.00 C ATOM 173 C GLU A 94 11.034 0.444 -0.110 1.00 0.00 C ATOM 174 O GLU A 94 11.343 -0.132 0.914 1.00 0.00 O ATOM 175 CB GLU A 94 12.637 2.284 0.439 1.00 0.00 C ATOM 176 CG GLU A 94 12.305 2.559 1.907 1.00 0.00 C ATOM 177 CD GLU A 94 13.589 2.526 2.738 1.00 0.00 C ATOM 178 OE1 GLU A 94 14.143 1.450 2.894 1.00 0.00 O ATOM 179 OE2 GLU A 94 13.998 3.577 3.205 1.00 0.00 O ATOM 0 H GLU A 94 10.163 2.794 1.228 1.00 0.00 H new ATOM 0 HA GLU A 94 11.492 2.127 -1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.355 1.467 0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 94 13.103 3.161 -0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.821 3.531 2.005 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.601 1.814 2.277 1.00 0.00 H new ATOM 186 N ALA A 95 10.412 -0.174 -1.075 1.00 0.00 N ATOM 187 CA ALA A 95 10.065 -1.617 -0.938 1.00 0.00 C ATOM 188 C ALA A 95 11.266 -2.389 -0.386 1.00 0.00 C ATOM 189 O ALA A 95 12.342 -2.373 -0.952 1.00 0.00 O ATOM 190 CB ALA A 95 9.683 -2.181 -2.307 1.00 0.00 C ATOM 0 H ALA A 95 10.128 0.258 -1.954 1.00 0.00 H new ATOM 0 HA ALA A 95 9.224 -1.721 -0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.429 -3.236 -2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.824 -1.636 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.524 -2.073 -2.992 1.00 0.00 H new ATOM 196 N ARG A 96 11.088 -3.072 0.712 1.00 0.00 N ATOM 197 CA ARG A 96 12.212 -3.853 1.299 1.00 0.00 C ATOM 198 C ARG A 96 12.007 -5.336 0.987 1.00 0.00 C ATOM 199 O ARG A 96 12.908 -6.141 1.117 1.00 0.00 O ATOM 200 CB ARG A 96 12.241 -3.652 2.816 1.00 0.00 C ATOM 201 CG ARG A 96 10.809 -3.586 3.351 1.00 0.00 C ATOM 202 CD ARG A 96 10.330 -2.133 3.349 1.00 0.00 C ATOM 203 NE ARG A 96 9.716 -1.813 4.669 1.00 0.00 N ATOM 204 CZ ARG A 96 10.171 -0.815 5.375 1.00 0.00 C ATOM 205 NH1 ARG A 96 10.100 0.401 4.907 1.00 0.00 N ATOM 206 NH2 ARG A 96 10.697 -1.032 6.550 1.00 0.00 N ATOM 0 H ARG A 96 10.210 -3.122 1.229 1.00 0.00 H new ATOM 0 HA ARG A 96 13.156 -3.512 0.873 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.780 -4.471 3.292 1.00 0.00 H new ATOM 0 HB3 ARG A 96 12.775 -2.734 3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.151 -4.198 2.734 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.768 -3.992 4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.167 -1.463 3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.604 -1.979 2.551 1.00 0.00 H new ATOM 0 HE ARG A 96 8.940 -2.374 5.020 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.689 0.571 3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.456 1.181 5.459 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.752 -1.982 6.916 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.053 -0.251 7.102 1.00 0.00 H new ATOM 220 N THR A 97 10.824 -5.701 0.574 1.00 0.00 N ATOM 221 CA THR A 97 10.551 -7.129 0.251 1.00 0.00 C ATOM 222 C THR A 97 10.027 -7.229 -1.183 1.00 0.00 C ATOM 223 O THR A 97 9.844 -6.235 -1.857 1.00 0.00 O ATOM 224 CB THR A 97 9.508 -7.698 1.222 1.00 0.00 C ATOM 225 OG1 THR A 97 8.645 -8.582 0.518 1.00 0.00 O ATOM 226 CG2 THR A 97 8.685 -6.563 1.836 1.00 0.00 C ATOM 0 H THR A 97 10.033 -5.070 0.446 1.00 0.00 H new ATOM 0 HA THR A 97 11.473 -7.703 0.347 1.00 0.00 H new ATOM 0 HB THR A 97 10.019 -8.237 2.020 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.765 -8.592 0.949 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.948 -6.979 2.523 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.346 -5.886 2.378 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.174 -6.015 1.045 1.00 0.00 H new ATOM 234 N GLU A 98 9.789 -8.421 -1.657 1.00 0.00 N ATOM 235 CA GLU A 98 9.283 -8.580 -3.051 1.00 0.00 C ATOM 236 C GLU A 98 7.754 -8.638 -3.049 1.00 0.00 C ATOM 237 O GLU A 98 7.143 -9.121 -3.982 1.00 0.00 O ATOM 238 CB GLU A 98 9.842 -9.873 -3.649 1.00 0.00 C ATOM 239 CG GLU A 98 11.352 -9.730 -3.854 1.00 0.00 C ATOM 240 CD GLU A 98 11.643 -9.442 -5.327 1.00 0.00 C ATOM 241 OE1 GLU A 98 11.640 -8.279 -5.695 1.00 0.00 O ATOM 242 OE2 GLU A 98 11.863 -10.390 -6.064 1.00 0.00 O ATOM 0 H GLU A 98 9.922 -9.291 -1.141 1.00 0.00 H new ATOM 0 HA GLU A 98 9.606 -7.728 -3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.632 -10.713 -2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.354 -10.087 -4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.739 -8.923 -3.232 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.860 -10.643 -3.544 1.00 0.00 H new ATOM 249 N ASP A 99 7.126 -8.147 -2.015 1.00 0.00 N ATOM 250 CA ASP A 99 5.636 -8.178 -1.968 1.00 0.00 C ATOM 251 C ASP A 99 5.092 -6.756 -2.117 1.00 0.00 C ATOM 252 O ASP A 99 3.999 -6.547 -2.607 1.00 0.00 O ATOM 253 CB ASP A 99 5.174 -8.770 -0.634 1.00 0.00 C ATOM 254 CG ASP A 99 5.396 -7.753 0.486 1.00 0.00 C ATOM 255 OD1 ASP A 99 6.528 -7.614 0.918 1.00 0.00 O ATOM 256 OD2 ASP A 99 4.430 -7.130 0.895 1.00 0.00 O ATOM 0 H ASP A 99 7.579 -7.727 -1.203 1.00 0.00 H new ATOM 0 HA ASP A 99 5.261 -8.797 -2.783 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.119 -9.039 -0.690 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.725 -9.686 -0.421 1.00 0.00 H new ATOM 261 N ASP A 100 5.844 -5.773 -1.699 1.00 0.00 N ATOM 262 CA ASP A 100 5.366 -4.368 -1.821 1.00 0.00 C ATOM 263 C ASP A 100 6.042 -3.703 -3.022 1.00 0.00 C ATOM 264 O ASP A 100 6.851 -4.303 -3.701 1.00 0.00 O ATOM 265 CB ASP A 100 5.714 -3.593 -0.547 1.00 0.00 C ATOM 266 CG ASP A 100 7.081 -4.044 -0.028 1.00 0.00 C ATOM 267 OD1 ASP A 100 7.953 -4.287 -0.846 1.00 0.00 O ATOM 268 OD2 ASP A 100 7.233 -4.138 1.179 1.00 0.00 O ATOM 0 H ASP A 100 6.767 -5.883 -1.279 1.00 0.00 H new ATOM 0 HA ASP A 100 4.285 -4.365 -1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.727 -2.523 -0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.951 -3.762 0.213 1.00 0.00 H new ATOM 273 N LEU A 101 5.715 -2.469 -3.291 1.00 0.00 N ATOM 274 CA LEU A 101 6.339 -1.770 -4.450 1.00 0.00 C ATOM 275 C LEU A 101 7.219 -0.626 -3.945 1.00 0.00 C ATOM 276 O LEU A 101 7.267 -0.337 -2.765 1.00 0.00 O ATOM 277 CB LEU A 101 5.244 -1.203 -5.355 1.00 0.00 C ATOM 278 CG LEU A 101 4.341 -2.336 -5.841 1.00 0.00 C ATOM 279 CD1 LEU A 101 2.883 -1.876 -5.809 1.00 0.00 C ATOM 280 CD2 LEU A 101 4.724 -2.711 -7.275 1.00 0.00 C ATOM 0 H LEU A 101 5.044 -1.915 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 101 6.948 -2.478 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.656 -0.464 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.692 -0.691 -6.207 1.00 0.00 H new ATOM 0 HG LEU A 101 4.463 -3.203 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.239 -2.684 -6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.609 -1.606 -4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.760 -1.010 -6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.081 -3.519 -7.624 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.600 -1.843 -7.923 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.764 -3.038 -7.300 1.00 0.00 H new ATOM 292 N SER A 102 7.911 0.031 -4.834 1.00 0.00 N ATOM 293 CA SER A 102 8.785 1.162 -4.415 1.00 0.00 C ATOM 294 C SER A 102 8.527 2.356 -5.336 1.00 0.00 C ATOM 295 O SER A 102 8.498 2.225 -6.543 1.00 0.00 O ATOM 296 CB SER A 102 10.253 0.735 -4.516 1.00 0.00 C ATOM 297 OG SER A 102 10.893 1.460 -5.558 1.00 0.00 O ATOM 0 H SER A 102 7.909 -0.167 -5.835 1.00 0.00 H new ATOM 0 HA SER A 102 8.565 1.442 -3.385 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.761 0.917 -3.569 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.318 -0.335 -4.712 1.00 0.00 H new ATOM 0 HG SER A 102 11.832 1.186 -5.619 1.00 0.00 H new ATOM 303 N PHE A 103 8.336 3.521 -4.780 1.00 0.00 N ATOM 304 CA PHE A 103 8.079 4.713 -5.637 1.00 0.00 C ATOM 305 C PHE A 103 8.330 5.990 -4.838 1.00 0.00 C ATOM 306 O PHE A 103 8.857 5.958 -3.742 1.00 0.00 O ATOM 307 CB PHE A 103 6.628 4.693 -6.123 1.00 0.00 C ATOM 308 CG PHE A 103 5.711 4.324 -4.982 1.00 0.00 C ATOM 309 CD1 PHE A 103 5.446 2.978 -4.705 1.00 0.00 C ATOM 310 CD2 PHE A 103 5.121 5.328 -4.205 1.00 0.00 C ATOM 311 CE1 PHE A 103 4.592 2.635 -3.650 1.00 0.00 C ATOM 312 CE2 PHE A 103 4.265 4.985 -3.151 1.00 0.00 C ATOM 313 CZ PHE A 103 4.001 3.639 -2.874 1.00 0.00 C ATOM 0 H PHE A 103 8.347 3.699 -3.776 1.00 0.00 H new ATOM 0 HA PHE A 103 8.751 4.687 -6.495 1.00 0.00 H new ATOM 0 HB2 PHE A 103 6.354 5.671 -6.520 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.517 3.976 -6.937 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.900 2.204 -5.305 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.326 6.367 -4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 103 4.389 1.596 -3.435 1.00 0.00 H new ATOM 0 HE2 PHE A 103 3.809 5.759 -2.552 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.341 3.375 -2.061 1.00 0.00 H new ATOM 323 N HIS A 104 7.959 7.117 -5.379 1.00 0.00 N ATOM 324 CA HIS A 104 8.176 8.401 -4.658 1.00 0.00 C ATOM 325 C HIS A 104 6.867 9.192 -4.622 1.00 0.00 C ATOM 326 O HIS A 104 5.976 8.977 -5.421 1.00 0.00 O ATOM 327 CB HIS A 104 9.247 9.217 -5.384 1.00 0.00 C ATOM 328 CG HIS A 104 9.632 10.401 -4.543 1.00 0.00 C ATOM 329 ND1 HIS A 104 8.916 11.588 -4.566 1.00 0.00 N ATOM 330 CD2 HIS A 104 10.656 10.598 -3.649 1.00 0.00 C ATOM 331 CE1 HIS A 104 9.513 12.437 -3.710 1.00 0.00 C ATOM 332 NE2 HIS A 104 10.578 11.885 -3.124 1.00 0.00 N ATOM 0 H HIS A 104 7.513 7.204 -6.292 1.00 0.00 H new ATOM 0 HA HIS A 104 8.504 8.196 -3.639 1.00 0.00 H new ATOM 0 HB2 HIS A 104 10.122 8.597 -5.579 1.00 0.00 H new ATOM 0 HB3 HIS A 104 8.871 9.551 -6.351 1.00 0.00 H new ATOM 0 HD1 HIS A 104 8.088 11.782 -5.129 1.00 0.00 H new ATOM 0 HD2 HIS A 104 11.407 9.866 -3.392 1.00 0.00 H new ATOM 0 HE1 HIS A 104 9.172 13.444 -3.520 1.00 0.00 H new ATOM 340 N LYS A 105 6.742 10.108 -3.700 1.00 0.00 N ATOM 341 CA LYS A 105 5.489 10.911 -3.612 1.00 0.00 C ATOM 342 C LYS A 105 5.168 11.510 -4.983 1.00 0.00 C ATOM 343 O LYS A 105 6.010 12.112 -5.620 1.00 0.00 O ATOM 344 CB LYS A 105 5.675 12.040 -2.597 1.00 0.00 C ATOM 345 CG LYS A 105 4.331 12.726 -2.346 1.00 0.00 C ATOM 346 CD LYS A 105 4.557 14.032 -1.581 1.00 0.00 C ATOM 347 CE LYS A 105 3.719 15.145 -2.213 1.00 0.00 C ATOM 348 NZ LYS A 105 2.273 14.870 -1.978 1.00 0.00 N ATOM 0 H LYS A 105 7.453 10.335 -3.005 1.00 0.00 H new ATOM 0 HA LYS A 105 4.669 10.267 -3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.072 11.642 -1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.400 12.763 -2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.832 12.929 -3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.676 12.067 -1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 105 4.282 13.905 -0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.613 14.300 -1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.992 16.109 -1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.920 15.204 -3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.710 15.688 -2.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.987 14.029 -2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 2.112 14.700 -0.965 1.00 0.00 H new ATOM 362 N GLY A 106 3.957 11.352 -5.443 1.00 0.00 N ATOM 363 CA GLY A 106 3.585 11.915 -6.771 1.00 0.00 C ATOM 364 C GLY A 106 3.415 10.781 -7.784 1.00 0.00 C ATOM 365 O GLY A 106 3.056 11.003 -8.923 1.00 0.00 O ATOM 0 H GLY A 106 3.209 10.857 -4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.659 12.484 -6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.355 12.607 -7.112 1.00 0.00 H new ATOM 369 N GLU A 107 3.668 9.566 -7.381 1.00 0.00 N ATOM 370 CA GLU A 107 3.519 8.422 -8.325 1.00 0.00 C ATOM 371 C GLU A 107 2.041 8.050 -8.447 1.00 0.00 C ATOM 372 O GLU A 107 1.298 8.092 -7.486 1.00 0.00 O ATOM 373 CB GLU A 107 4.305 7.219 -7.799 1.00 0.00 C ATOM 374 CG GLU A 107 5.497 6.944 -8.719 1.00 0.00 C ATOM 375 CD GLU A 107 6.483 8.111 -8.640 1.00 0.00 C ATOM 376 OE1 GLU A 107 6.092 9.215 -8.978 1.00 0.00 O ATOM 377 OE2 GLU A 107 7.612 7.880 -8.240 1.00 0.00 O ATOM 0 H GLU A 107 3.971 9.316 -6.440 1.00 0.00 H new ATOM 0 HA GLU A 107 3.904 8.708 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.653 7.414 -6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.659 6.342 -7.751 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.990 6.017 -8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.155 6.812 -9.745 1.00 0.00 H new ATOM 384 N LYS A 108 1.608 7.684 -9.623 1.00 0.00 N ATOM 385 CA LYS A 108 0.178 7.306 -9.805 1.00 0.00 C ATOM 386 C LYS A 108 0.018 5.803 -9.574 1.00 0.00 C ATOM 387 O LYS A 108 0.943 5.037 -9.751 1.00 0.00 O ATOM 388 CB LYS A 108 -0.264 7.653 -11.229 1.00 0.00 C ATOM 389 CG LYS A 108 0.412 8.952 -11.672 1.00 0.00 C ATOM 390 CD LYS A 108 -0.004 10.089 -10.737 1.00 0.00 C ATOM 391 CE LYS A 108 -0.343 11.331 -11.564 1.00 0.00 C ATOM 392 NZ LYS A 108 0.783 11.632 -12.493 1.00 0.00 N ATOM 0 H LYS A 108 2.182 7.631 -10.464 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.438 7.853 -9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.001 6.843 -11.910 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.348 7.763 -11.268 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.495 8.834 -11.658 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.130 9.189 -12.698 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.867 9.788 -10.143 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.802 10.313 -10.038 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.260 11.166 -12.129 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.523 12.181 -10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.857 12.661 -12.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.671 11.270 -12.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.607 11.175 -13.411 1.00 0.00 H new ATOM 406 N PHE A 109 -1.149 5.373 -9.179 1.00 0.00 N ATOM 407 CA PHE A 109 -1.359 3.919 -8.938 1.00 0.00 C ATOM 408 C PHE A 109 -2.818 3.557 -9.219 1.00 0.00 C ATOM 409 O PHE A 109 -3.718 4.333 -8.975 1.00 0.00 O ATOM 410 CB PHE A 109 -1.017 3.590 -7.483 1.00 0.00 C ATOM 411 CG PHE A 109 0.477 3.674 -7.293 1.00 0.00 C ATOM 412 CD1 PHE A 109 1.304 2.663 -7.798 1.00 0.00 C ATOM 413 CD2 PHE A 109 1.038 4.764 -6.616 1.00 0.00 C ATOM 414 CE1 PHE A 109 2.691 2.741 -7.625 1.00 0.00 C ATOM 415 CE2 PHE A 109 2.425 4.842 -6.443 1.00 0.00 C ATOM 416 CZ PHE A 109 3.251 3.831 -6.948 1.00 0.00 C ATOM 0 H PHE A 109 -1.963 5.964 -9.013 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.713 3.344 -9.601 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.521 4.286 -6.812 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.372 2.591 -7.230 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.872 1.823 -8.321 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.401 5.544 -6.227 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.329 1.961 -8.014 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.858 5.682 -5.920 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.321 3.892 -6.815 1.00 0.00 H new ATOM 426 N GLN A 110 -3.058 2.382 -9.731 1.00 0.00 N ATOM 427 CA GLN A 110 -4.460 1.971 -10.026 1.00 0.00 C ATOM 428 C GLN A 110 -4.884 0.871 -9.051 1.00 0.00 C ATOM 429 O GLN A 110 -4.618 -0.296 -9.264 1.00 0.00 O ATOM 430 CB GLN A 110 -4.544 1.445 -11.461 1.00 0.00 C ATOM 431 CG GLN A 110 -3.962 2.484 -12.422 1.00 0.00 C ATOM 432 CD GLN A 110 -4.299 2.095 -13.863 1.00 0.00 C ATOM 433 OE1 GLN A 110 -4.282 0.932 -14.210 1.00 0.00 O ATOM 434 NE2 GLN A 110 -4.605 3.028 -14.723 1.00 0.00 N ATOM 0 H GLN A 110 -2.345 1.689 -9.958 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.123 2.829 -9.915 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.996 0.507 -11.548 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.581 1.234 -11.722 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.367 3.470 -12.196 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.881 2.547 -12.295 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -4.619 4.005 -14.432 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -4.830 2.780 -15.686 1.00 0.00 H new ATOM 443 N ILE A 111 -5.541 1.232 -7.981 1.00 0.00 N ATOM 444 CA ILE A 111 -5.980 0.204 -6.994 1.00 0.00 C ATOM 445 C ILE A 111 -7.052 -0.684 -7.628 1.00 0.00 C ATOM 446 O ILE A 111 -8.108 -0.222 -8.011 1.00 0.00 O ATOM 447 CB ILE A 111 -6.563 0.896 -5.758 1.00 0.00 C ATOM 448 CG1 ILE A 111 -5.512 1.825 -5.144 1.00 0.00 C ATOM 449 CG2 ILE A 111 -6.968 -0.160 -4.726 1.00 0.00 C ATOM 450 CD1 ILE A 111 -4.340 0.996 -4.619 1.00 0.00 C ATOM 0 H ILE A 111 -5.792 2.193 -7.748 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.125 -0.405 -6.701 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.437 1.478 -6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.161 2.538 -5.890 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -5.953 2.404 -4.333 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.383 0.332 -3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.717 -0.823 -5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.092 -0.742 -4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.593 1.658 -4.182 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.697 0.301 -3.859 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.893 0.437 -5.441 1.00 0.00 H new ATOM 462 N LEU A 112 -6.793 -1.959 -7.740 1.00 0.00 N ATOM 463 CA LEU A 112 -7.801 -2.872 -8.347 1.00 0.00 C ATOM 464 C LEU A 112 -8.356 -3.807 -7.270 1.00 0.00 C ATOM 465 O LEU A 112 -9.488 -4.244 -7.337 1.00 0.00 O ATOM 466 CB LEU A 112 -7.146 -3.699 -9.455 1.00 0.00 C ATOM 467 CG LEU A 112 -5.861 -4.334 -8.924 1.00 0.00 C ATOM 468 CD1 LEU A 112 -5.819 -5.811 -9.322 1.00 0.00 C ATOM 469 CD2 LEU A 112 -4.652 -3.611 -9.522 1.00 0.00 C ATOM 0 H LEU A 112 -5.928 -2.406 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.614 -2.282 -8.771 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.832 -4.473 -9.799 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.924 -3.065 -10.313 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.836 -4.250 -7.838 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.903 -6.264 -8.943 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.681 -6.327 -8.898 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.844 -5.896 -10.408 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.735 -4.063 -9.144 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.678 -3.696 -10.608 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.681 -2.559 -9.240 1.00 0.00 H new ATOM 481 N ASN A 113 -7.569 -4.114 -6.275 1.00 0.00 N ATOM 482 CA ASN A 113 -8.053 -5.017 -5.193 1.00 0.00 C ATOM 483 C ASN A 113 -7.548 -4.505 -3.843 1.00 0.00 C ATOM 484 O ASN A 113 -6.392 -4.655 -3.506 1.00 0.00 O ATOM 485 CB ASN A 113 -7.526 -6.434 -5.434 1.00 0.00 C ATOM 486 CG ASN A 113 -8.476 -7.178 -6.373 1.00 0.00 C ATOM 487 OD1 ASN A 113 -8.323 -7.126 -7.577 1.00 0.00 O ATOM 488 ND2 ASN A 113 -9.458 -7.875 -5.870 1.00 0.00 N ATOM 0 H ASN A 113 -6.612 -3.778 -6.165 1.00 0.00 H new ATOM 0 HA ASN A 113 -9.143 -5.034 -5.192 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -6.527 -6.393 -5.868 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.441 -6.968 -4.487 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -10.097 -8.376 -6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.587 -7.919 -4.859 1.00 0.00 H new ATOM 495 N SER A 114 -8.405 -3.901 -3.067 1.00 0.00 N ATOM 496 CA SER A 114 -7.970 -3.380 -1.740 1.00 0.00 C ATOM 497 C SER A 114 -8.813 -4.020 -0.637 1.00 0.00 C ATOM 498 O SER A 114 -9.457 -3.342 0.138 1.00 0.00 O ATOM 499 CB SER A 114 -8.148 -1.862 -1.705 1.00 0.00 C ATOM 500 OG SER A 114 -9.230 -1.497 -2.552 1.00 0.00 O ATOM 0 H SER A 114 -9.387 -3.746 -3.294 1.00 0.00 H new ATOM 0 HA SER A 114 -6.920 -3.626 -1.580 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.342 -1.530 -0.685 1.00 0.00 H new ATOM 0 HB3 SER A 114 -7.232 -1.369 -2.032 1.00 0.00 H new ATOM 0 HG SER A 114 -9.348 -0.524 -2.531 1.00 0.00 H new ATOM 506 N SER A 115 -8.815 -5.323 -0.562 1.00 0.00 N ATOM 507 CA SER A 115 -9.616 -6.007 0.491 1.00 0.00 C ATOM 508 C SER A 115 -8.677 -6.586 1.552 1.00 0.00 C ATOM 509 O SER A 115 -9.100 -7.273 2.462 1.00 0.00 O ATOM 510 CB SER A 115 -10.428 -7.137 -0.143 1.00 0.00 C ATOM 511 OG SER A 115 -11.718 -7.180 0.452 1.00 0.00 O ATOM 0 H SER A 115 -8.297 -5.943 -1.184 1.00 0.00 H new ATOM 0 HA SER A 115 -10.292 -5.290 0.958 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.516 -6.978 -1.218 1.00 0.00 H new ATOM 0 HB3 SER A 115 -9.918 -8.090 -0.002 1.00 0.00 H new ATOM 0 HG SER A 115 -12.241 -7.903 0.046 1.00 0.00 H new ATOM 517 N GLU A 116 -7.405 -6.313 1.446 1.00 0.00 N ATOM 518 CA GLU A 116 -6.441 -6.846 2.450 1.00 0.00 C ATOM 519 C GLU A 116 -6.386 -5.902 3.653 1.00 0.00 C ATOM 520 O GLU A 116 -7.111 -4.930 3.726 1.00 0.00 O ATOM 521 CB GLU A 116 -5.051 -6.948 1.819 1.00 0.00 C ATOM 522 CG GLU A 116 -4.767 -8.401 1.435 1.00 0.00 C ATOM 523 CD GLU A 116 -3.835 -9.030 2.472 1.00 0.00 C ATOM 524 OE1 GLU A 116 -4.190 -9.026 3.638 1.00 0.00 O ATOM 525 OE2 GLU A 116 -2.781 -9.505 2.081 1.00 0.00 O ATOM 0 H GLU A 116 -6.992 -5.744 0.707 1.00 0.00 H new ATOM 0 HA GLU A 116 -6.765 -7.834 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.993 -6.310 0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.296 -6.592 2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.699 -8.963 1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -4.310 -8.444 0.446 1.00 0.00 H new ATOM 532 N GLY A 117 -5.530 -6.178 4.598 1.00 0.00 N ATOM 533 CA GLY A 117 -5.428 -5.294 5.794 1.00 0.00 C ATOM 534 C GLY A 117 -4.967 -3.901 5.362 1.00 0.00 C ATOM 535 O GLY A 117 -5.755 -3.080 4.936 1.00 0.00 O ATOM 0 H GLY A 117 -4.897 -6.977 4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -6.394 -5.230 6.295 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -4.724 -5.715 6.512 1.00 0.00 H new ATOM 539 N ASP A 118 -3.696 -3.629 5.465 1.00 0.00 N ATOM 540 CA ASP A 118 -3.185 -2.291 5.057 1.00 0.00 C ATOM 541 C ASP A 118 -2.317 -2.440 3.806 1.00 0.00 C ATOM 542 O ASP A 118 -1.457 -1.625 3.535 1.00 0.00 O ATOM 543 CB ASP A 118 -2.348 -1.695 6.191 1.00 0.00 C ATOM 544 CG ASP A 118 -3.120 -0.550 6.849 1.00 0.00 C ATOM 545 OD1 ASP A 118 -4.089 -0.831 7.534 1.00 0.00 O ATOM 546 OD2 ASP A 118 -2.728 0.589 6.656 1.00 0.00 O ATOM 0 H ASP A 118 -2.989 -4.276 5.814 1.00 0.00 H new ATOM 0 HA ASP A 118 -4.025 -1.631 4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.117 -2.463 6.929 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.397 -1.330 5.802 1.00 0.00 H new ATOM 551 N TRP A 119 -2.533 -3.476 3.044 1.00 0.00 N ATOM 552 CA TRP A 119 -1.719 -3.676 1.812 1.00 0.00 C ATOM 553 C TRP A 119 -2.645 -3.832 0.605 1.00 0.00 C ATOM 554 O TRP A 119 -3.237 -4.873 0.395 1.00 0.00 O ATOM 555 CB TRP A 119 -0.866 -4.937 1.966 1.00 0.00 C ATOM 556 CG TRP A 119 0.175 -4.707 3.014 1.00 0.00 C ATOM 557 CD1 TRP A 119 0.119 -5.176 4.282 1.00 0.00 C ATOM 558 CD2 TRP A 119 1.422 -3.962 2.908 1.00 0.00 C ATOM 559 NE1 TRP A 119 1.252 -4.766 4.960 1.00 0.00 N ATOM 560 CE2 TRP A 119 2.087 -4.015 4.156 1.00 0.00 C ATOM 561 CE3 TRP A 119 2.036 -3.253 1.859 1.00 0.00 C ATOM 562 CZ2 TRP A 119 3.316 -3.386 4.357 1.00 0.00 C ATOM 563 CZ3 TRP A 119 3.273 -2.619 2.058 1.00 0.00 C ATOM 564 CH2 TRP A 119 3.912 -2.686 3.305 1.00 0.00 C ATOM 0 H TRP A 119 -3.237 -4.192 3.221 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.071 -2.813 1.661 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -1.495 -5.783 2.242 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -0.393 -5.188 1.017 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.680 -5.773 4.697 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.447 -4.991 5.936 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.553 -3.196 0.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 3.803 -3.440 5.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.735 -2.077 1.246 1.00 0.00 H new ATOM 0 HH2 TRP A 119 4.864 -2.197 3.452 1.00 0.00 H new ATOM 575 N TRP A 120 -2.772 -2.809 -0.191 1.00 0.00 N ATOM 576 CA TRP A 120 -3.656 -2.898 -1.387 1.00 0.00 C ATOM 577 C TRP A 120 -2.824 -3.293 -2.608 1.00 0.00 C ATOM 578 O TRP A 120 -1.623 -3.122 -2.634 1.00 0.00 O ATOM 579 CB TRP A 120 -4.304 -1.537 -1.648 1.00 0.00 C ATOM 580 CG TRP A 120 -5.331 -1.250 -0.601 1.00 0.00 C ATOM 581 CD1 TRP A 120 -5.671 -2.082 0.410 1.00 0.00 C ATOM 582 CD2 TRP A 120 -6.153 -0.060 -0.447 1.00 0.00 C ATOM 583 NE1 TRP A 120 -6.653 -1.476 1.173 1.00 0.00 N ATOM 584 CE2 TRP A 120 -6.984 -0.228 0.685 1.00 0.00 C ATOM 585 CE3 TRP A 120 -6.257 1.138 -1.176 1.00 0.00 C ATOM 586 CZ2 TRP A 120 -7.888 0.760 1.081 1.00 0.00 C ATOM 587 CZ3 TRP A 120 -7.164 2.134 -0.782 1.00 0.00 C ATOM 588 CH2 TRP A 120 -7.978 1.946 0.345 1.00 0.00 C ATOM 0 H TRP A 120 -2.301 -1.913 -0.066 1.00 0.00 H new ATOM 0 HA TRP A 120 -4.428 -3.646 -1.207 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.543 -0.757 -1.646 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -4.767 -1.529 -2.635 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -5.246 -3.058 0.592 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -7.081 -1.900 1.996 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.635 1.293 -2.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.513 0.609 1.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -7.236 3.050 -1.349 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.673 2.716 0.644 1.00 0.00 H new ATOM 599 N GLU A 121 -3.458 -3.809 -3.625 1.00 0.00 N ATOM 600 CA GLU A 121 -2.708 -4.205 -4.852 1.00 0.00 C ATOM 601 C GLU A 121 -2.963 -3.161 -5.940 1.00 0.00 C ATOM 602 O GLU A 121 -4.025 -3.114 -6.529 1.00 0.00 O ATOM 603 CB GLU A 121 -3.186 -5.577 -5.342 1.00 0.00 C ATOM 604 CG GLU A 121 -3.816 -6.357 -4.186 1.00 0.00 C ATOM 605 CD GLU A 121 -4.250 -7.739 -4.679 1.00 0.00 C ATOM 606 OE1 GLU A 121 -4.950 -7.796 -5.677 1.00 0.00 O ATOM 607 OE2 GLU A 121 -3.877 -8.715 -4.050 1.00 0.00 O ATOM 0 H GLU A 121 -4.464 -3.974 -3.660 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.643 -4.263 -4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -3.912 -5.452 -6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -2.347 -6.137 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -3.101 -6.458 -3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -4.675 -5.814 -3.792 1.00 0.00 H new ATOM 614 N ALA A 122 -2.005 -2.317 -6.207 1.00 0.00 N ATOM 615 CA ALA A 122 -2.210 -1.274 -7.252 1.00 0.00 C ATOM 616 C ALA A 122 -1.227 -1.490 -8.403 1.00 0.00 C ATOM 617 O ALA A 122 -0.217 -2.151 -8.256 1.00 0.00 O ATOM 618 CB ALA A 122 -1.981 0.110 -6.641 1.00 0.00 C ATOM 0 H ALA A 122 -1.093 -2.304 -5.750 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.229 -1.344 -7.633 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.131 0.874 -7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.686 0.269 -5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.963 0.175 -6.258 1.00 0.00 H new ATOM 624 N ARG A 123 -1.516 -0.934 -9.547 1.00 0.00 N ATOM 625 CA ARG A 123 -0.601 -1.101 -10.710 1.00 0.00 C ATOM 626 C ARG A 123 0.100 0.227 -11.000 1.00 0.00 C ATOM 627 O ARG A 123 -0.533 1.241 -11.214 1.00 0.00 O ATOM 628 CB ARG A 123 -1.409 -1.527 -11.937 1.00 0.00 C ATOM 629 CG ARG A 123 -0.543 -2.405 -12.840 1.00 0.00 C ATOM 630 CD ARG A 123 -1.442 -3.238 -13.754 1.00 0.00 C ATOM 631 NE ARG A 123 -2.163 -2.336 -14.695 1.00 0.00 N ATOM 632 CZ ARG A 123 -2.920 -2.839 -15.630 1.00 0.00 C ATOM 633 NH1 ARG A 123 -3.877 -3.669 -15.320 1.00 0.00 N ATOM 634 NH2 ARG A 123 -2.717 -2.513 -16.877 1.00 0.00 N ATOM 0 H ARG A 123 -2.347 -0.371 -9.726 1.00 0.00 H new ATOM 0 HA ARG A 123 0.143 -1.864 -10.481 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.300 -2.073 -11.627 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.749 -0.648 -12.485 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.125 -1.784 -13.437 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.085 -3.059 -12.235 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -0.844 -3.960 -14.311 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -2.156 -3.807 -13.159 1.00 0.00 H new ATOM 0 HE ARG A 123 -2.065 -1.325 -14.608 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -4.034 -3.925 -14.345 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -4.469 -4.062 -16.052 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -1.967 -1.866 -17.119 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -3.308 -2.906 -17.610 1.00 0.00 H new ATOM 648 N SER A 124 1.405 0.231 -11.006 1.00 0.00 N ATOM 649 CA SER A 124 2.145 1.495 -11.281 1.00 0.00 C ATOM 650 C SER A 124 1.877 1.941 -12.719 1.00 0.00 C ATOM 651 O SER A 124 2.091 1.202 -13.659 1.00 0.00 O ATOM 652 CB SER A 124 3.643 1.259 -11.091 1.00 0.00 C ATOM 653 OG SER A 124 3.839 0.270 -10.089 1.00 0.00 O ATOM 0 H SER A 124 1.990 -0.586 -10.832 1.00 0.00 H new ATOM 0 HA SER A 124 1.809 2.270 -10.592 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.094 0.937 -12.030 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.136 2.188 -10.803 1.00 0.00 H new ATOM 0 HG SER A 124 4.799 0.115 -9.966 1.00 0.00 H new ATOM 659 N LEU A 125 1.412 3.147 -12.899 1.00 0.00 N ATOM 660 CA LEU A 125 1.131 3.641 -14.278 1.00 0.00 C ATOM 661 C LEU A 125 2.453 3.908 -15.002 1.00 0.00 C ATOM 662 O LEU A 125 2.546 3.792 -16.208 1.00 0.00 O ATOM 663 CB LEU A 125 0.325 4.938 -14.201 1.00 0.00 C ATOM 664 CG LEU A 125 -1.157 4.610 -14.009 1.00 0.00 C ATOM 665 CD1 LEU A 125 -1.921 5.890 -13.667 1.00 0.00 C ATOM 666 CD2 LEU A 125 -1.718 4.013 -15.302 1.00 0.00 C ATOM 0 H LEU A 125 1.214 3.812 -12.151 1.00 0.00 H new ATOM 0 HA LEU A 125 0.560 2.889 -14.824 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.682 5.552 -13.374 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.464 5.519 -15.112 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.269 3.891 -13.197 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.977 5.658 -13.530 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.521 6.318 -12.748 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.810 6.608 -14.479 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.774 3.779 -15.166 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.607 4.733 -16.113 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.173 3.102 -15.548 1.00 0.00 H new ATOM 678 N THR A 126 3.476 4.264 -14.275 1.00 0.00 N ATOM 679 CA THR A 126 4.792 4.539 -14.919 1.00 0.00 C ATOM 680 C THR A 126 5.372 3.236 -15.468 1.00 0.00 C ATOM 681 O THR A 126 5.723 3.140 -16.627 1.00 0.00 O ATOM 682 CB THR A 126 5.752 5.129 -13.883 1.00 0.00 C ATOM 683 OG1 THR A 126 5.083 6.139 -13.143 1.00 0.00 O ATOM 684 CG2 THR A 126 6.965 5.732 -14.592 1.00 0.00 C ATOM 0 H THR A 126 3.458 4.377 -13.261 1.00 0.00 H new ATOM 0 HA THR A 126 4.657 5.249 -15.735 1.00 0.00 H new ATOM 0 HB THR A 126 6.085 4.342 -13.206 1.00 0.00 H new ATOM 0 HG1 THR A 126 5.695 6.517 -12.478 1.00 0.00 H new ATOM 0 HG21 THR A 126 7.647 6.152 -13.853 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.478 4.956 -15.160 1.00 0.00 H new ATOM 0 HG23 THR A 126 6.636 6.519 -15.270 1.00 0.00 H new ATOM 692 N THR A 127 5.475 2.228 -14.645 1.00 0.00 N ATOM 693 CA THR A 127 6.032 0.931 -15.122 1.00 0.00 C ATOM 694 C THR A 127 4.892 0.036 -15.610 1.00 0.00 C ATOM 695 O THR A 127 4.773 -0.251 -16.785 1.00 0.00 O ATOM 696 CB THR A 127 6.766 0.240 -13.970 1.00 0.00 C ATOM 697 OG1 THR A 127 6.301 0.762 -12.733 1.00 0.00 O ATOM 698 CG2 THR A 127 8.269 0.489 -14.099 1.00 0.00 C ATOM 0 H THR A 127 5.198 2.247 -13.664 1.00 0.00 H new ATOM 0 HA THR A 127 6.728 1.112 -15.941 1.00 0.00 H new ATOM 0 HB THR A 127 6.573 -0.832 -14.007 1.00 0.00 H new ATOM 0 HG1 THR A 127 6.769 0.319 -11.994 1.00 0.00 H new ATOM 0 HG21 THR A 127 8.791 -0.003 -13.278 1.00 0.00 H new ATOM 0 HG22 THR A 127 8.624 0.087 -15.048 1.00 0.00 H new ATOM 0 HG23 THR A 127 8.465 1.561 -14.063 1.00 0.00 H new ATOM 706 N GLY A 128 4.053 -0.410 -14.715 1.00 0.00 N ATOM 707 CA GLY A 128 2.920 -1.288 -15.125 1.00 0.00 C ATOM 708 C GLY A 128 2.881 -2.519 -14.221 1.00 0.00 C ATOM 709 O GLY A 128 1.880 -3.203 -14.128 1.00 0.00 O ATOM 0 H GLY A 128 4.103 -0.204 -13.717 1.00 0.00 H new ATOM 0 HA2 GLY A 128 1.979 -0.742 -15.056 1.00 0.00 H new ATOM 0 HA3 GLY A 128 3.038 -1.591 -16.166 1.00 0.00 H new ATOM 713 N GLU A 129 3.962 -2.807 -13.550 1.00 0.00 N ATOM 714 CA GLU A 129 3.987 -3.993 -12.650 1.00 0.00 C ATOM 715 C GLU A 129 2.976 -3.795 -11.518 1.00 0.00 C ATOM 716 O GLU A 129 2.800 -2.702 -11.017 1.00 0.00 O ATOM 717 CB GLU A 129 5.389 -4.154 -12.059 1.00 0.00 C ATOM 718 CG GLU A 129 5.740 -2.918 -11.229 1.00 0.00 C ATOM 719 CD GLU A 129 7.260 -2.760 -11.163 1.00 0.00 C ATOM 720 OE1 GLU A 129 7.932 -3.327 -12.008 1.00 0.00 O ATOM 721 OE2 GLU A 129 7.726 -2.075 -10.267 1.00 0.00 O ATOM 0 H GLU A 129 4.829 -2.272 -13.586 1.00 0.00 H new ATOM 0 HA GLU A 129 3.727 -4.886 -13.218 1.00 0.00 H new ATOM 0 HB2 GLU A 129 5.432 -5.047 -11.436 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.118 -4.287 -12.858 1.00 0.00 H new ATOM 0 HG2 GLU A 129 5.291 -2.030 -11.673 1.00 0.00 H new ATOM 0 HG3 GLU A 129 5.330 -3.014 -10.224 1.00 0.00 H new ATOM 728 N THR A 130 2.311 -4.841 -11.113 1.00 0.00 N ATOM 729 CA THR A 130 1.314 -4.710 -10.014 1.00 0.00 C ATOM 730 C THR A 130 1.926 -5.231 -8.713 1.00 0.00 C ATOM 731 O THR A 130 2.450 -6.326 -8.658 1.00 0.00 O ATOM 732 CB THR A 130 0.065 -5.527 -10.357 1.00 0.00 C ATOM 733 OG1 THR A 130 0.089 -5.870 -11.736 1.00 0.00 O ATOM 734 CG2 THR A 130 -1.186 -4.700 -10.056 1.00 0.00 C ATOM 0 H THR A 130 2.415 -5.781 -11.495 1.00 0.00 H new ATOM 0 HA THR A 130 1.038 -3.663 -9.893 1.00 0.00 H new ATOM 0 HB THR A 130 0.049 -6.437 -9.757 1.00 0.00 H new ATOM 0 HG1 THR A 130 -0.709 -6.394 -11.957 1.00 0.00 H new ATOM 0 HG21 THR A 130 -2.075 -5.282 -10.300 1.00 0.00 H new ATOM 0 HG22 THR A 130 -1.203 -4.438 -8.998 1.00 0.00 H new ATOM 0 HG23 THR A 130 -1.173 -3.789 -10.655 1.00 0.00 H new ATOM 742 N GLY A 131 1.868 -4.457 -7.664 1.00 0.00 N ATOM 743 CA GLY A 131 2.450 -4.910 -6.370 1.00 0.00 C ATOM 744 C GLY A 131 1.518 -4.523 -5.220 1.00 0.00 C ATOM 745 O GLY A 131 0.424 -4.039 -5.430 1.00 0.00 O ATOM 0 H GLY A 131 1.442 -3.530 -7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.596 -5.990 -6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.431 -4.458 -6.224 1.00 0.00 H new ATOM 749 N TYR A 132 1.942 -4.737 -4.004 1.00 0.00 N ATOM 750 CA TYR A 132 1.081 -4.384 -2.840 1.00 0.00 C ATOM 751 C TYR A 132 1.594 -3.096 -2.190 1.00 0.00 C ATOM 752 O TYR A 132 2.560 -3.102 -1.456 1.00 0.00 O ATOM 753 CB TYR A 132 1.120 -5.519 -1.815 1.00 0.00 C ATOM 754 CG TYR A 132 0.443 -6.742 -2.386 1.00 0.00 C ATOM 755 CD1 TYR A 132 1.087 -7.508 -3.365 1.00 0.00 C ATOM 756 CD2 TYR A 132 -0.831 -7.108 -1.936 1.00 0.00 C ATOM 757 CE1 TYR A 132 0.459 -8.641 -3.894 1.00 0.00 C ATOM 758 CE2 TYR A 132 -1.460 -8.242 -2.465 1.00 0.00 C ATOM 759 CZ TYR A 132 -0.815 -9.008 -3.444 1.00 0.00 C ATOM 760 OH TYR A 132 -1.435 -10.126 -3.965 1.00 0.00 O ATOM 0 H TYR A 132 2.848 -5.141 -3.767 1.00 0.00 H new ATOM 0 HA TYR A 132 0.057 -4.234 -3.182 1.00 0.00 H new ATOM 0 HB2 TYR A 132 2.152 -5.751 -1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.621 -5.210 -0.897 1.00 0.00 H new ATOM 0 HD1 TYR A 132 2.069 -7.224 -3.712 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -1.328 -6.516 -1.182 1.00 0.00 H new ATOM 0 HE1 TYR A 132 0.957 -9.232 -4.649 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -2.443 -8.526 -2.118 1.00 0.00 H new ATOM 0 HH TYR A 132 -2.384 -9.933 -4.117 1.00 0.00 H new ATOM 770 N ILE A 133 0.946 -1.991 -2.449 1.00 0.00 N ATOM 771 CA ILE A 133 1.393 -0.705 -1.841 1.00 0.00 C ATOM 772 C ILE A 133 0.563 -0.428 -0.583 1.00 0.00 C ATOM 773 O ILE A 133 -0.558 -0.881 -0.474 1.00 0.00 O ATOM 774 CB ILE A 133 1.192 0.431 -2.846 1.00 0.00 C ATOM 775 CG1 ILE A 133 -0.242 0.389 -3.378 1.00 0.00 C ATOM 776 CG2 ILE A 133 2.171 0.264 -4.010 1.00 0.00 C ATOM 777 CD1 ILE A 133 -0.712 1.808 -3.700 1.00 0.00 C ATOM 0 H ILE A 133 0.128 -1.924 -3.054 1.00 0.00 H new ATOM 0 HA ILE A 133 2.448 -0.771 -1.577 1.00 0.00 H new ATOM 0 HB ILE A 133 1.373 1.387 -2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.291 -0.233 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.902 -0.064 -2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 133 2.027 1.074 -4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.193 0.291 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 133 1.991 -0.692 -4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -1.734 1.776 -4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -0.679 2.416 -2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -0.059 2.245 -4.455 1.00 0.00 H new ATOM 789 N PRO A 134 1.141 0.310 0.331 1.00 0.00 N ATOM 790 CA PRO A 134 0.467 0.659 1.595 1.00 0.00 C ATOM 791 C PRO A 134 -0.815 1.446 1.306 1.00 0.00 C ATOM 792 O PRO A 134 -0.799 2.452 0.625 1.00 0.00 O ATOM 793 CB PRO A 134 1.479 1.528 2.353 1.00 0.00 C ATOM 794 CG PRO A 134 2.747 1.654 1.470 1.00 0.00 C ATOM 795 CD PRO A 134 2.502 0.852 0.181 1.00 0.00 C ATOM 0 HA PRO A 134 0.175 -0.220 2.170 1.00 0.00 H new ATOM 0 HB2 PRO A 134 1.058 2.512 2.561 1.00 0.00 H new ATOM 0 HB3 PRO A 134 1.726 1.077 3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 134 2.948 2.700 1.237 1.00 0.00 H new ATOM 0 HG3 PRO A 134 3.620 1.271 1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 134 2.580 1.487 -0.701 1.00 0.00 H new ATOM 0 HD3 PRO A 134 3.236 0.054 0.066 1.00 0.00 H new ATOM 803 N SER A 135 -1.926 0.990 1.815 1.00 0.00 N ATOM 804 CA SER A 135 -3.211 1.704 1.565 1.00 0.00 C ATOM 805 C SER A 135 -3.131 3.125 2.130 1.00 0.00 C ATOM 806 O SER A 135 -3.620 4.065 1.536 1.00 0.00 O ATOM 807 CB SER A 135 -4.354 0.947 2.242 1.00 0.00 C ATOM 808 OG SER A 135 -4.425 1.326 3.611 1.00 0.00 O ATOM 0 H SER A 135 -2.000 0.153 2.394 1.00 0.00 H new ATOM 0 HA SER A 135 -3.393 1.754 0.492 1.00 0.00 H new ATOM 0 HB2 SER A 135 -5.297 1.168 1.743 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.193 -0.128 2.159 1.00 0.00 H new ATOM 0 HG SER A 135 -5.158 0.843 4.046 1.00 0.00 H new ATOM 814 N ASN A 136 -2.523 3.291 3.272 1.00 0.00 N ATOM 815 CA ASN A 136 -2.419 4.654 3.866 1.00 0.00 C ATOM 816 C ASN A 136 -1.418 5.488 3.063 1.00 0.00 C ATOM 817 O ASN A 136 -1.425 6.702 3.113 1.00 0.00 O ATOM 818 CB ASN A 136 -1.946 4.545 5.317 1.00 0.00 C ATOM 819 CG ASN A 136 -3.142 4.239 6.222 1.00 0.00 C ATOM 820 OD1 ASN A 136 -4.134 3.701 5.775 1.00 0.00 O ATOM 821 ND2 ASN A 136 -3.087 4.563 7.485 1.00 0.00 N ATOM 0 H ASN A 136 -2.095 2.544 3.819 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.396 5.136 3.839 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -1.197 3.759 5.408 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -1.471 5.476 5.627 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -3.878 4.364 8.097 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -2.253 5.015 7.860 1.00 0.00 H new ATOM 828 N TYR A 137 -0.555 4.846 2.323 1.00 0.00 N ATOM 829 CA TYR A 137 0.447 5.602 1.520 1.00 0.00 C ATOM 830 C TYR A 137 -0.191 6.082 0.216 1.00 0.00 C ATOM 831 O TYR A 137 0.434 6.757 -0.575 1.00 0.00 O ATOM 832 CB TYR A 137 1.631 4.689 1.189 1.00 0.00 C ATOM 833 CG TYR A 137 2.676 4.794 2.276 1.00 0.00 C ATOM 834 CD1 TYR A 137 2.288 4.867 3.620 1.00 0.00 C ATOM 835 CD2 TYR A 137 4.036 4.819 1.938 1.00 0.00 C ATOM 836 CE1 TYR A 137 3.258 4.963 4.625 1.00 0.00 C ATOM 837 CE2 TYR A 137 5.006 4.916 2.944 1.00 0.00 C ATOM 838 CZ TYR A 137 4.617 4.987 4.286 1.00 0.00 C ATOM 839 OH TYR A 137 5.572 5.081 5.277 1.00 0.00 O ATOM 0 H TYR A 137 -0.501 3.831 2.240 1.00 0.00 H new ATOM 0 HA TYR A 137 0.791 6.461 2.096 1.00 0.00 H new ATOM 0 HB2 TYR A 137 1.292 3.657 1.096 1.00 0.00 H new ATOM 0 HB3 TYR A 137 2.062 4.971 0.228 1.00 0.00 H new ATOM 0 HD1 TYR A 137 1.240 4.849 3.881 1.00 0.00 H new ATOM 0 HD2 TYR A 137 4.336 4.763 0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 137 2.959 5.019 5.661 1.00 0.00 H new ATOM 0 HE2 TYR A 137 6.054 4.936 2.684 1.00 0.00 H new ATOM 0 HH TYR A 137 6.464 5.084 4.872 1.00 0.00 H new ATOM 849 N VAL A 138 -1.427 5.737 -0.023 1.00 0.00 N ATOM 850 CA VAL A 138 -2.086 6.173 -1.287 1.00 0.00 C ATOM 851 C VAL A 138 -3.493 6.691 -0.990 1.00 0.00 C ATOM 852 O VAL A 138 -4.096 6.350 0.008 1.00 0.00 O ATOM 853 CB VAL A 138 -2.169 4.988 -2.248 1.00 0.00 C ATOM 854 CG1 VAL A 138 -0.758 4.580 -2.674 1.00 0.00 C ATOM 855 CG2 VAL A 138 -2.850 3.810 -1.547 1.00 0.00 C ATOM 0 H VAL A 138 -2.007 5.174 0.600 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.501 6.973 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 138 -2.748 5.272 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -0.815 3.735 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.271 5.419 -3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -0.180 4.295 -1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.910 2.964 -2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.271 3.525 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -3.855 4.100 -1.241 1.00 0.00 H new ATOM 865 N ALA A 139 -4.023 7.513 -1.856 1.00 0.00 N ATOM 866 CA ALA A 139 -5.393 8.055 -1.634 1.00 0.00 C ATOM 867 C ALA A 139 -6.058 8.322 -2.988 1.00 0.00 C ATOM 868 O ALA A 139 -5.393 8.671 -3.944 1.00 0.00 O ATOM 869 CB ALA A 139 -5.305 9.361 -0.844 1.00 0.00 C ATOM 0 H ALA A 139 -3.564 7.833 -2.709 1.00 0.00 H new ATOM 0 HA ALA A 139 -5.984 7.332 -1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -6.308 9.757 -0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.830 9.173 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.715 10.086 -1.404 1.00 0.00 H new ATOM 875 N PRO A 140 -7.355 8.149 -3.030 1.00 0.00 N ATOM 876 CA PRO A 140 -8.133 8.364 -4.262 1.00 0.00 C ATOM 877 C PRO A 140 -7.969 9.808 -4.746 1.00 0.00 C ATOM 878 O PRO A 140 -7.801 10.719 -3.962 1.00 0.00 O ATOM 879 CB PRO A 140 -9.589 8.086 -3.862 1.00 0.00 C ATOM 880 CG PRO A 140 -9.598 7.699 -2.359 1.00 0.00 C ATOM 881 CD PRO A 140 -8.145 7.731 -1.859 1.00 0.00 C ATOM 0 HA PRO A 140 -7.806 7.720 -5.079 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.208 8.966 -4.034 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -10.005 7.281 -4.467 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.214 8.394 -1.789 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -10.028 6.707 -2.222 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -8.026 8.430 -1.031 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -7.829 6.753 -1.497 1.00 0.00 H new ATOM 889 N VAL A 141 -8.015 10.020 -6.032 1.00 0.00 N ATOM 890 CA VAL A 141 -7.860 11.404 -6.561 1.00 0.00 C ATOM 891 C VAL A 141 -9.191 12.147 -6.438 1.00 0.00 C ATOM 892 O VAL A 141 -9.808 12.047 -5.389 1.00 0.00 O ATOM 893 CB VAL A 141 -7.442 11.346 -8.031 1.00 0.00 C ATOM 894 CG1 VAL A 141 -8.530 10.644 -8.846 1.00 0.00 C ATOM 895 CG2 VAL A 141 -7.245 12.768 -8.561 1.00 0.00 C ATOM 896 OXT VAL A 141 -9.572 12.805 -7.392 1.00 0.00 O ATOM 0 H VAL A 141 -8.153 9.297 -6.738 1.00 0.00 H new ATOM 0 HA VAL A 141 -7.096 11.929 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.508 10.791 -8.121 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -8.231 10.603 -9.893 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.670 9.631 -8.469 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -9.465 11.197 -8.757 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -6.947 12.728 -9.609 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -8.179 13.323 -8.470 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -6.469 13.268 -7.982 1.00 0.00 H new TER 906 VAL A 141