USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 95 LYS NZ :NH3+ -158:sc= -0.0048 (180deg=-0.434) USER MOD Single : A 100 ASN : amide:sc= -0.073 K(o=-0.073,f=-1.3) USER MOD Single : A 111 LYS NZ :NH3+ 140:sc= 1.07 (180deg=0.359) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot -21:sc= -0.164 USER MOD Single : A 131 MET CE :methyl -158:sc= -0.737 (180deg=-1.81) USER MOD Single : A 132 LYS NZ :NH3+ 144:sc= 1.86 (180deg=0.379!) USER MOD Single : A 139 ASN : amide:sc= -0.912 K(o=-0.91,f=-0.39) USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 167:sc= 1.12 (180deg=0.692) USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 89 -5.025 -12.225 -1.990 1.00 0.00 N ATOM 32 CA GLU A 89 -4.147 -12.004 -0.782 1.00 0.00 C ATOM 33 C GLU A 89 -3.743 -10.467 -0.810 1.00 0.00 C ATOM 34 O GLU A 89 -4.237 -9.609 -0.048 1.00 0.00 O ATOM 35 CB GLU A 89 -3.003 -13.059 -0.756 1.00 0.00 C ATOM 36 CG GLU A 89 -2.043 -13.016 0.468 1.00 0.00 C ATOM 37 CD GLU A 89 -0.910 -11.994 0.435 1.00 0.00 C ATOM 38 OE1 GLU A 89 0.165 -12.302 -0.122 1.00 0.00 O ATOM 39 OE2 GLU A 89 -1.073 -10.894 1.000 1.00 0.00 O ATOM 0 HA GLU A 89 -4.635 -12.175 0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.453 -14.051 -0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.407 -12.938 -1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.641 -12.827 1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.601 -14.006 0.585 1.00 0.00 H new ATOM 46 N ILE A 90 -2.948 -10.172 -1.858 1.00 0.00 N ATOM 47 CA ILE A 90 -2.509 -8.823 -2.280 1.00 0.00 C ATOM 48 C ILE A 90 -3.776 -7.943 -2.575 1.00 0.00 C ATOM 49 O ILE A 90 -3.786 -6.799 -2.107 1.00 0.00 O ATOM 50 CB ILE A 90 -1.542 -9.033 -3.512 1.00 0.00 C ATOM 51 CG1 ILE A 90 -0.201 -9.762 -3.169 1.00 0.00 C ATOM 52 CG2 ILE A 90 -1.242 -7.806 -4.401 1.00 0.00 C ATOM 53 CD1 ILE A 90 -0.181 -11.274 -3.433 1.00 0.00 C ATOM 0 H ILE A 90 -2.575 -10.903 -2.464 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.957 -8.279 -1.513 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.168 -9.690 -4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.600 -9.300 -3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.025 -9.592 -2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.566 -8.096 -5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.172 -7.429 -4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.776 -7.026 -3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.794 -11.678 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.954 -11.758 -2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.369 -11.461 -4.490 1.00 0.00 H new ATOM 65 N LEU A 91 -4.831 -8.438 -3.299 1.00 0.00 N ATOM 66 CA LEU A 91 -6.064 -7.628 -3.515 1.00 0.00 C ATOM 67 C LEU A 91 -6.838 -7.405 -2.198 1.00 0.00 C ATOM 68 O LEU A 91 -7.317 -6.285 -2.030 1.00 0.00 O ATOM 69 CB LEU A 91 -6.972 -8.111 -4.698 1.00 0.00 C ATOM 70 CG LEU A 91 -8.475 -8.570 -4.754 1.00 0.00 C ATOM 71 CD1 LEU A 91 -9.490 -7.993 -3.741 1.00 0.00 C ATOM 72 CD2 LEU A 91 -9.070 -8.276 -6.152 1.00 0.00 C ATOM 0 H LEU A 91 -4.849 -9.363 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.714 -6.652 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.919 -7.296 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.424 -8.951 -5.124 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.370 -9.623 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.475 -8.421 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.174 -8.241 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.538 -6.910 -3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.111 -8.598 -6.179 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.016 -7.206 -6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.503 -8.817 -6.910 1.00 0.00 H new ATOM 84 N ARG A 92 -6.970 -8.368 -1.248 1.00 0.00 N ATOM 85 CA ARG A 92 -7.655 -8.099 0.047 1.00 0.00 C ATOM 86 C ARG A 92 -6.927 -6.913 0.734 1.00 0.00 C ATOM 87 O ARG A 92 -7.595 -5.896 0.936 1.00 0.00 O ATOM 88 CB ARG A 92 -7.777 -9.316 1.015 1.00 0.00 C ATOM 89 CG ARG A 92 -8.909 -10.380 0.843 1.00 0.00 C ATOM 90 CD ARG A 92 -9.877 -10.308 -0.357 1.00 0.00 C ATOM 91 NE ARG A 92 -10.961 -9.318 -0.118 1.00 0.00 N ATOM 92 CZ ARG A 92 -12.028 -9.141 -0.899 1.00 0.00 C ATOM 93 NH1 ARG A 92 -12.228 -9.753 -2.040 1.00 0.00 N ATOM 94 NH2 ARG A 92 -12.937 -8.299 -0.503 1.00 0.00 N ATOM 0 H ARG A 92 -6.619 -9.320 -1.349 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.692 -7.859 -0.189 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.829 -9.852 0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.871 -8.912 2.023 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.429 -11.358 0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.516 -10.353 1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.325 -10.036 -1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.312 -11.291 -0.535 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.882 -8.727 0.710 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.540 -10.420 -2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.072 -9.562 -2.580 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.820 -7.800 0.379 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.767 -8.138 -1.074 1.00 0.00 H new ATOM 108 N ALA A 93 -5.584 -6.929 0.939 1.00 0.00 N ATOM 109 CA ALA A 93 -4.949 -5.759 1.586 1.00 0.00 C ATOM 110 C ALA A 93 -4.942 -4.445 0.771 1.00 0.00 C ATOM 111 O ALA A 93 -5.652 -3.501 1.155 1.00 0.00 O ATOM 112 CB ALA A 93 -3.550 -6.185 2.086 1.00 0.00 C ATOM 0 H ALA A 93 -4.955 -7.690 0.683 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.581 -5.475 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.062 -5.337 2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.652 -7.000 2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.948 -6.519 1.241 1.00 0.00 H new ATOM 118 N PHE A 94 -4.223 -4.380 -0.360 1.00 0.00 N ATOM 119 CA PHE A 94 -4.199 -3.131 -1.170 1.00 0.00 C ATOM 120 C PHE A 94 -5.542 -2.784 -1.809 1.00 0.00 C ATOM 121 O PHE A 94 -5.958 -1.629 -1.700 1.00 0.00 O ATOM 122 CB PHE A 94 -3.135 -3.151 -2.299 1.00 0.00 C ATOM 123 CG PHE A 94 -2.862 -1.817 -3.045 1.00 0.00 C ATOM 124 CD1 PHE A 94 -3.844 -1.289 -3.893 1.00 0.00 C ATOM 125 CD2 PHE A 94 -1.695 -1.079 -2.836 1.00 0.00 C ATOM 126 CE1 PHE A 94 -3.710 -0.028 -4.445 1.00 0.00 C ATOM 127 CE2 PHE A 94 -1.516 0.147 -3.472 1.00 0.00 C ATOM 128 CZ PHE A 94 -2.537 0.686 -4.251 1.00 0.00 C ATOM 0 H PHE A 94 -3.663 -5.146 -0.734 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.943 -2.368 -0.435 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.194 -3.496 -1.870 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.440 -3.893 -3.037 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.721 -1.877 -4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.928 -1.461 -2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.515 0.399 -5.025 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.584 0.681 -3.361 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.415 1.659 -4.704 1.00 0.00 H new ATOM 138 N LYS A 95 -6.165 -3.730 -2.530 1.00 0.00 N ATOM 139 CA LYS A 95 -7.438 -3.423 -3.209 1.00 0.00 C ATOM 140 C LYS A 95 -8.587 -3.181 -2.139 1.00 0.00 C ATOM 141 O LYS A 95 -9.567 -2.558 -2.562 1.00 0.00 O ATOM 142 CB LYS A 95 -7.620 -4.380 -4.433 1.00 0.00 C ATOM 143 CG LYS A 95 -6.404 -4.468 -5.444 1.00 0.00 C ATOM 144 CD LYS A 95 -6.703 -5.217 -6.773 1.00 0.00 C ATOM 145 CE LYS A 95 -5.628 -6.258 -7.205 1.00 0.00 C ATOM 146 NZ LYS A 95 -5.139 -6.152 -8.599 1.00 0.00 N ATOM 0 H LYS A 95 -5.824 -4.683 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.472 -2.459 -3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.824 -5.382 -4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.503 -4.062 -4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.075 -3.456 -5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.572 -4.964 -4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.661 -5.727 -6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.813 -4.481 -7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.774 -6.167 -6.534 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.041 -7.257 -7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.738 -7.064 -8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.930 -5.900 -9.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.405 -5.417 -8.655 1.00 0.00 H new ATOM 160 N VAL A 96 -8.522 -3.579 -0.804 1.00 0.00 N ATOM 161 CA VAL A 96 -9.525 -3.054 0.187 1.00 0.00 C ATOM 162 C VAL A 96 -9.118 -1.546 0.472 1.00 0.00 C ATOM 163 O VAL A 96 -9.984 -0.668 0.448 1.00 0.00 O ATOM 164 CB VAL A 96 -9.697 -3.873 1.518 1.00 0.00 C ATOM 165 CG1 VAL A 96 -8.764 -3.579 2.723 1.00 0.00 C ATOM 166 CG2 VAL A 96 -11.103 -3.722 2.087 1.00 0.00 C ATOM 0 H VAL A 96 -7.828 -4.221 -0.421 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.514 -3.151 -0.260 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.437 -4.864 1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -9.024 -4.235 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.728 -3.755 2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -8.883 -2.540 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.187 -4.301 3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.298 -2.671 2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.830 -4.086 1.361 1.00 0.00 H new ATOM 176 N PHE A 97 -7.803 -1.274 0.719 1.00 0.00 N ATOM 177 CA PHE A 97 -7.234 0.079 0.966 1.00 0.00 C ATOM 178 C PHE A 97 -7.534 1.198 -0.111 1.00 0.00 C ATOM 179 O PHE A 97 -7.712 2.359 0.265 1.00 0.00 O ATOM 180 CB PHE A 97 -5.703 -0.123 1.177 1.00 0.00 C ATOM 181 CG PHE A 97 -5.004 0.789 2.196 1.00 0.00 C ATOM 182 CD1 PHE A 97 -4.844 2.152 1.945 1.00 0.00 C ATOM 183 CD2 PHE A 97 -4.423 0.237 3.346 1.00 0.00 C ATOM 184 CE1 PHE A 97 -4.096 2.939 2.806 1.00 0.00 C ATOM 185 CE2 PHE A 97 -3.685 1.032 4.216 1.00 0.00 C ATOM 186 CZ PHE A 97 -3.532 2.386 3.953 1.00 0.00 C ATOM 0 H PHE A 97 -7.096 -2.009 0.752 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.739 0.487 1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.538 -1.157 1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.210 0.008 0.214 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.305 2.596 1.075 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.550 -0.814 3.558 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.950 3.986 2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.232 0.597 5.094 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.976 3.010 4.637 1.00 0.00 H new ATOM 196 N ASP A 98 -7.589 0.848 -1.418 1.00 0.00 N ATOM 197 CA ASP A 98 -7.851 1.769 -2.568 1.00 0.00 C ATOM 198 C ASP A 98 -9.194 2.587 -2.488 1.00 0.00 C ATOM 199 O ASP A 98 -10.298 2.040 -2.610 1.00 0.00 O ATOM 200 CB ASP A 98 -7.707 0.843 -3.815 1.00 0.00 C ATOM 201 CG ASP A 98 -7.981 1.405 -5.212 1.00 0.00 C ATOM 202 OD1 ASP A 98 -7.681 2.588 -5.491 1.00 0.00 O ATOM 203 OD2 ASP A 98 -8.473 0.632 -6.057 1.00 0.00 O ATOM 0 H ASP A 98 -7.448 -0.116 -1.720 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.146 2.600 -2.592 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.689 0.452 -3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.374 -0.006 -3.669 1.00 0.00 H new ATOM 208 N ALA A 99 -9.053 3.913 -2.274 1.00 0.00 N ATOM 209 CA ALA A 99 -10.195 4.872 -2.182 1.00 0.00 C ATOM 210 C ALA A 99 -10.892 5.215 -3.525 1.00 0.00 C ATOM 211 O ALA A 99 -12.120 5.112 -3.603 1.00 0.00 O ATOM 212 CB ALA A 99 -9.739 6.176 -1.481 1.00 0.00 C ATOM 0 H ALA A 99 -8.143 4.359 -2.159 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.950 4.350 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.579 6.868 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.385 5.944 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.933 6.634 -2.054 1.00 0.00 H new ATOM 218 N ASN A 100 -10.127 5.624 -4.557 1.00 0.00 N ATOM 219 CA ASN A 100 -10.706 5.996 -5.886 1.00 0.00 C ATOM 220 C ASN A 100 -11.353 4.812 -6.705 1.00 0.00 C ATOM 221 O ASN A 100 -12.239 5.096 -7.519 1.00 0.00 O ATOM 222 CB ASN A 100 -9.688 6.803 -6.768 1.00 0.00 C ATOM 223 CG ASN A 100 -10.203 7.218 -8.173 1.00 0.00 C ATOM 224 OD1 ASN A 100 -10.080 6.403 -9.089 1.00 0.00 O ATOM 225 ND2 ASN A 100 -10.834 8.368 -8.409 1.00 0.00 N ATOM 0 H ASN A 100 -9.112 5.708 -4.508 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.543 6.645 -5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -9.398 7.703 -6.226 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -8.787 6.203 -6.893 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -11.207 8.564 -9.338 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -10.944 9.052 -7.661 1.00 0.00 H new ATOM 232 N GLY A 101 -10.982 3.530 -6.513 1.00 0.00 N ATOM 233 CA GLY A 101 -11.513 2.414 -7.334 1.00 0.00 C ATOM 234 C GLY A 101 -10.842 2.175 -8.724 1.00 0.00 C ATOM 235 O GLY A 101 -11.253 1.230 -9.403 1.00 0.00 O ATOM 0 H GLY A 101 -10.317 3.238 -5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.426 1.495 -6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.576 2.589 -7.497 1.00 0.00 H new ATOM 239 N ASP A 102 -9.800 2.948 -9.116 1.00 0.00 N ATOM 240 CA ASP A 102 -8.991 2.705 -10.349 1.00 0.00 C ATOM 241 C ASP A 102 -7.543 2.144 -10.022 1.00 0.00 C ATOM 242 O ASP A 102 -6.766 1.876 -10.950 1.00 0.00 O ATOM 243 CB ASP A 102 -8.946 3.975 -11.257 1.00 0.00 C ATOM 244 CG ASP A 102 -8.003 5.140 -10.917 1.00 0.00 C ATOM 245 OD1 ASP A 102 -6.880 4.909 -10.413 1.00 0.00 O ATOM 246 OD2 ASP A 102 -8.348 6.296 -11.240 1.00 0.00 O ATOM 0 H ASP A 102 -9.491 3.763 -8.587 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.495 1.922 -10.915 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -8.697 3.642 -12.265 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.957 4.380 -11.296 1.00 0.00 H new ATOM 251 N GLY A 103 -7.204 1.938 -8.730 1.00 0.00 N ATOM 252 CA GLY A 103 -5.895 1.497 -8.252 1.00 0.00 C ATOM 253 C GLY A 103 -5.119 2.532 -7.403 1.00 0.00 C ATOM 254 O GLY A 103 -4.246 2.068 -6.672 1.00 0.00 O ATOM 0 H GLY A 103 -7.868 2.083 -7.970 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.029 0.592 -7.659 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.284 1.226 -9.113 1.00 0.00 H new ATOM 258 N VAL A 104 -5.375 3.870 -7.419 1.00 0.00 N ATOM 259 CA VAL A 104 -4.601 4.821 -6.577 1.00 0.00 C ATOM 260 C VAL A 104 -5.120 4.948 -5.104 1.00 0.00 C ATOM 261 O VAL A 104 -6.314 5.064 -4.808 1.00 0.00 O ATOM 262 CB VAL A 104 -4.457 6.280 -7.130 1.00 0.00 C ATOM 263 CG1 VAL A 104 -3.379 6.445 -8.214 1.00 0.00 C ATOM 264 CG2 VAL A 104 -5.780 6.959 -7.494 1.00 0.00 C ATOM 0 H VAL A 104 -6.096 4.306 -7.994 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.623 4.341 -6.604 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.085 6.835 -6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.347 7.485 -8.540 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.408 6.162 -7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.617 5.805 -9.064 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.583 7.964 -7.867 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -6.287 6.379 -8.265 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -6.414 7.019 -6.609 1.00 0.00 H new ATOM 274 N ILE A 105 -4.116 4.988 -4.227 1.00 0.00 N ATOM 275 CA ILE A 105 -4.236 5.228 -2.772 1.00 0.00 C ATOM 276 C ILE A 105 -3.467 6.560 -2.609 1.00 0.00 C ATOM 277 O ILE A 105 -2.269 6.634 -2.906 1.00 0.00 O ATOM 278 CB ILE A 105 -3.540 4.188 -1.834 1.00 0.00 C ATOM 279 CG1 ILE A 105 -4.220 2.806 -1.895 1.00 0.00 C ATOM 280 CG2 ILE A 105 -3.488 4.659 -0.342 1.00 0.00 C ATOM 281 CD1 ILE A 105 -3.342 1.725 -1.272 1.00 0.00 C ATOM 0 H ILE A 105 -3.148 4.848 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.287 5.193 -2.486 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.520 4.105 -2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.176 2.846 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.434 2.550 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.994 3.898 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.931 5.594 -0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.502 4.814 0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.852 0.763 -1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.396 1.669 -1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.150 1.970 -0.227 1.00 0.00 H new ATOM 293 N ASP A 106 -4.133 7.575 -2.055 1.00 0.00 N ATOM 294 CA ASP A 106 -3.471 8.873 -1.787 1.00 0.00 C ATOM 295 C ASP A 106 -2.872 8.925 -0.348 1.00 0.00 C ATOM 296 O ASP A 106 -3.201 8.124 0.538 1.00 0.00 O ATOM 297 CB ASP A 106 -4.392 10.067 -2.143 1.00 0.00 C ATOM 298 CG ASP A 106 -5.552 10.373 -1.206 1.00 0.00 C ATOM 299 OD1 ASP A 106 -5.324 11.061 -0.192 1.00 0.00 O ATOM 300 OD2 ASP A 106 -6.687 9.935 -1.484 1.00 0.00 O ATOM 0 H ASP A 106 -5.115 7.535 -1.783 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.614 8.967 -2.454 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.771 10.960 -2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.802 9.889 -3.137 1.00 0.00 H new ATOM 305 N PHE A 107 -1.957 9.887 -0.138 1.00 0.00 N ATOM 306 CA PHE A 107 -1.299 10.076 1.191 1.00 0.00 C ATOM 307 C PHE A 107 -2.309 10.509 2.313 1.00 0.00 C ATOM 308 O PHE A 107 -2.292 9.916 3.401 1.00 0.00 O ATOM 309 CB PHE A 107 -0.076 11.023 1.065 1.00 0.00 C ATOM 310 CG PHE A 107 1.146 10.665 1.956 1.00 0.00 C ATOM 311 CD1 PHE A 107 1.077 10.586 3.357 1.00 0.00 C ATOM 312 CD2 PHE A 107 2.371 10.401 1.329 1.00 0.00 C ATOM 313 CE1 PHE A 107 2.213 10.278 4.105 1.00 0.00 C ATOM 314 CE2 PHE A 107 3.505 10.095 2.076 1.00 0.00 C ATOM 315 CZ PHE A 107 3.426 10.043 3.462 1.00 0.00 C ATOM 0 H PHE A 107 -1.651 10.545 -0.855 1.00 0.00 H new ATOM 0 HA PHE A 107 -0.922 9.107 1.517 1.00 0.00 H new ATOM 0 HB2 PHE A 107 0.247 11.033 0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.397 12.036 1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.137 10.765 3.858 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.436 10.435 0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 107 2.152 10.222 5.182 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.444 9.899 1.579 1.00 0.00 H new ATOM 0 HZ PHE A 107 4.308 9.820 4.043 1.00 0.00 H new ATOM 325 N ASP A 108 -3.183 11.513 2.041 1.00 0.00 N ATOM 326 CA ASP A 108 -4.245 11.966 3.002 1.00 0.00 C ATOM 327 C ASP A 108 -5.260 10.808 3.330 1.00 0.00 C ATOM 328 O ASP A 108 -5.534 10.597 4.519 1.00 0.00 O ATOM 329 CB ASP A 108 -4.885 13.318 2.582 1.00 0.00 C ATOM 330 CG ASP A 108 -3.912 14.510 2.663 1.00 0.00 C ATOM 331 OD1 ASP A 108 -3.245 14.676 3.716 1.00 0.00 O ATOM 332 OD2 ASP A 108 -3.787 15.263 1.678 1.00 0.00 O ATOM 0 H ASP A 108 -3.179 12.031 1.162 1.00 0.00 H new ATOM 0 HA ASP A 108 -3.770 12.193 3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.258 13.233 1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.745 13.518 3.221 1.00 0.00 H new ATOM 337 N GLU A 109 -5.755 10.012 2.350 1.00 0.00 N ATOM 338 CA GLU A 109 -6.613 8.833 2.642 1.00 0.00 C ATOM 339 C GLU A 109 -5.859 7.730 3.465 1.00 0.00 C ATOM 340 O GLU A 109 -6.489 7.096 4.314 1.00 0.00 O ATOM 341 CB GLU A 109 -7.159 8.254 1.321 1.00 0.00 C ATOM 342 CG GLU A 109 -8.014 6.968 1.480 1.00 0.00 C ATOM 343 CD GLU A 109 -9.396 7.075 2.144 1.00 0.00 C ATOM 344 OE1 GLU A 109 -9.813 8.165 2.593 1.00 0.00 O ATOM 345 OE2 GLU A 109 -10.072 6.029 2.219 1.00 0.00 O ATOM 0 H GLU A 109 -5.577 10.162 1.357 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.442 9.169 3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -7.762 9.016 0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.319 8.036 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.157 6.542 0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.427 6.250 2.053 1.00 0.00 H new ATOM 352 N PHE A 110 -4.553 7.469 3.215 1.00 0.00 N ATOM 353 CA PHE A 110 -3.758 6.463 3.986 1.00 0.00 C ATOM 354 C PHE A 110 -3.694 6.931 5.474 1.00 0.00 C ATOM 355 O PHE A 110 -4.070 6.135 6.347 1.00 0.00 O ATOM 356 CB PHE A 110 -2.361 6.293 3.323 1.00 0.00 C ATOM 357 CG PHE A 110 -1.397 5.166 3.761 1.00 0.00 C ATOM 358 CD1 PHE A 110 -0.825 5.136 5.042 1.00 0.00 C ATOM 359 CD2 PHE A 110 -0.927 4.270 2.791 1.00 0.00 C ATOM 360 CE1 PHE A 110 0.226 4.264 5.326 1.00 0.00 C ATOM 361 CE2 PHE A 110 0.113 3.394 3.077 1.00 0.00 C ATOM 362 CZ PHE A 110 0.715 3.421 4.330 1.00 0.00 C ATOM 0 H PHE A 110 -4.020 7.940 2.484 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.224 5.478 3.973 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -2.530 6.169 2.253 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.829 7.235 3.455 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.201 5.792 5.813 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.378 4.260 1.810 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.659 4.242 6.315 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.453 2.694 2.328 1.00 0.00 H new ATOM 0 HZ PHE A 110 1.565 2.786 4.532 1.00 0.00 H new ATOM 372 N LYS A 111 -3.273 8.207 5.763 1.00 0.00 N ATOM 373 CA LYS A 111 -3.300 8.732 7.161 1.00 0.00 C ATOM 374 C LYS A 111 -4.731 8.648 7.779 1.00 0.00 C ATOM 375 O LYS A 111 -4.796 8.259 8.939 1.00 0.00 O ATOM 376 CB LYS A 111 -2.611 10.114 7.331 1.00 0.00 C ATOM 377 CG LYS A 111 -3.172 11.341 6.589 1.00 0.00 C ATOM 378 CD LYS A 111 -2.389 12.663 6.745 1.00 0.00 C ATOM 379 CE LYS A 111 -1.076 12.788 5.939 1.00 0.00 C ATOM 380 NZ LYS A 111 -1.291 13.109 4.497 1.00 0.00 N ATOM 0 H LYS A 111 -2.923 8.866 5.068 1.00 0.00 H new ATOM 0 HA LYS A 111 -2.674 8.065 7.754 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.610 10.349 8.395 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -1.570 9.999 7.029 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -3.227 11.101 5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.193 11.508 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -3.045 13.484 6.457 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -2.155 12.798 7.801 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -0.456 13.564 6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -0.521 11.853 6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -0.575 13.795 4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -1.209 12.240 3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -2.240 13.516 4.370 1.00 0.00 H new ATOM 394 N PHE A 112 -5.835 8.909 7.036 1.00 0.00 N ATOM 395 CA PHE A 112 -7.223 8.725 7.547 1.00 0.00 C ATOM 396 C PHE A 112 -7.539 7.227 7.933 1.00 0.00 C ATOM 397 O PHE A 112 -7.940 6.946 9.062 1.00 0.00 O ATOM 398 CB PHE A 112 -8.170 9.286 6.437 1.00 0.00 C ATOM 399 CG PHE A 112 -9.675 8.984 6.566 1.00 0.00 C ATOM 400 CD1 PHE A 112 -10.490 9.802 7.349 1.00 0.00 C ATOM 401 CD2 PHE A 112 -10.233 7.873 5.920 1.00 0.00 C ATOM 402 CE1 PHE A 112 -11.855 9.533 7.463 1.00 0.00 C ATOM 403 CE2 PHE A 112 -11.595 7.602 6.036 1.00 0.00 C ATOM 404 CZ PHE A 112 -12.404 8.432 6.810 1.00 0.00 C ATOM 0 H PHE A 112 -5.794 9.250 6.075 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.368 9.265 8.483 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -8.046 10.368 6.405 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -7.830 8.897 5.477 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -10.063 10.647 7.869 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -9.604 7.223 5.329 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -12.485 10.178 8.057 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -12.023 6.751 5.527 1.00 0.00 H new ATOM 0 HZ PHE A 112 -13.459 8.221 6.904 1.00 0.00 H new ATOM 414 N ILE A 113 -7.327 6.302 6.981 1.00 0.00 N ATOM 415 CA ILE A 113 -7.599 4.839 7.102 1.00 0.00 C ATOM 416 C ILE A 113 -6.661 3.967 7.979 1.00 0.00 C ATOM 417 O ILE A 113 -6.993 2.813 8.250 1.00 0.00 O ATOM 418 CB ILE A 113 -7.774 4.290 5.633 1.00 0.00 C ATOM 419 CG1 ILE A 113 -9.013 3.359 5.559 1.00 0.00 C ATOM 420 CG2 ILE A 113 -6.549 3.647 4.955 1.00 0.00 C ATOM 421 CD1 ILE A 113 -9.549 3.012 4.161 1.00 0.00 C ATOM 0 H ILE A 113 -6.947 6.551 6.068 1.00 0.00 H new ATOM 0 HA ILE A 113 -8.505 4.745 7.701 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.919 5.191 5.037 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -8.766 2.427 6.067 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -9.820 3.825 6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -6.820 3.317 3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -5.743 4.378 4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.217 2.790 5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.414 2.356 4.256 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.842 3.927 3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -8.771 2.507 3.588 1.00 0.00 H new ATOM 433 N MET A 114 -5.514 4.518 8.389 1.00 0.00 N ATOM 434 CA MET A 114 -4.509 3.866 9.276 1.00 0.00 C ATOM 435 C MET A 114 -5.093 3.073 10.485 1.00 0.00 C ATOM 436 O MET A 114 -4.839 1.874 10.631 1.00 0.00 O ATOM 437 CB MET A 114 -3.622 5.040 9.796 1.00 0.00 C ATOM 438 CG MET A 114 -2.552 4.702 10.838 1.00 0.00 C ATOM 439 SD MET A 114 -1.195 3.771 10.083 1.00 0.00 S ATOM 440 CE MET A 114 -1.188 2.260 11.068 1.00 0.00 C ATOM 0 H MET A 114 -5.238 5.460 8.111 1.00 0.00 H new ATOM 0 HA MET A 114 -3.974 3.108 8.704 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.126 5.494 8.938 1.00 0.00 H new ATOM 0 HB3 MET A 114 -4.280 5.798 10.222 1.00 0.00 H new ATOM 0 HG2 MET A 114 -2.167 5.620 11.282 1.00 0.00 H new ATOM 0 HG3 MET A 114 -2.995 4.119 11.645 1.00 0.00 H new ATOM 0 HE1 MET A 114 -0.400 1.596 10.711 1.00 0.00 H new ATOM 0 HE2 MET A 114 -1.007 2.508 12.114 1.00 0.00 H new ATOM 0 HE3 MET A 114 -2.153 1.761 10.976 1.00 0.00 H new ATOM 575 N THR A 123 0.316 9.373 15.771 1.00 0.00 N ATOM 576 CA THR A 123 1.694 9.828 15.450 1.00 0.00 C ATOM 577 C THR A 123 1.899 9.808 13.918 1.00 0.00 C ATOM 578 O THR A 123 1.654 8.817 13.227 1.00 0.00 O ATOM 579 CB THR A 123 2.848 9.043 16.139 1.00 0.00 C ATOM 580 OG1 THR A 123 2.722 7.641 15.956 1.00 0.00 O ATOM 581 CG2 THR A 123 2.999 9.292 17.651 1.00 0.00 C ATOM 0 HA THR A 123 1.759 10.837 15.857 1.00 0.00 H new ATOM 0 HB THR A 123 3.736 9.433 15.641 1.00 0.00 H new ATOM 0 HG1 THR A 123 1.793 7.422 15.734 1.00 0.00 H new ATOM 0 HG21 THR A 123 3.829 8.700 18.036 1.00 0.00 H new ATOM 0 HG22 THR A 123 3.195 10.350 17.828 1.00 0.00 H new ATOM 0 HG23 THR A 123 2.080 9.003 18.161 1.00 0.00 H new ATOM 589 N ASP A 124 2.358 10.954 13.423 1.00 0.00 N ATOM 590 CA ASP A 124 2.686 11.173 11.992 1.00 0.00 C ATOM 591 C ASP A 124 3.878 10.355 11.446 1.00 0.00 C ATOM 592 O ASP A 124 3.798 9.821 10.336 1.00 0.00 O ATOM 593 CB ASP A 124 2.868 12.700 11.781 1.00 0.00 C ATOM 594 CG ASP A 124 4.014 13.418 12.511 1.00 0.00 C ATOM 595 OD1 ASP A 124 3.899 13.624 13.739 1.00 0.00 O ATOM 596 OD2 ASP A 124 5.030 13.753 11.868 1.00 0.00 O ATOM 0 H ASP A 124 2.520 11.778 14.003 1.00 0.00 H new ATOM 0 HA ASP A 124 1.854 10.791 11.400 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.999 12.872 10.713 1.00 0.00 H new ATOM 0 HB3 ASP A 124 1.937 13.186 12.071 1.00 0.00 H new ATOM 601 N ALA A 125 4.934 10.247 12.260 1.00 0.00 N ATOM 602 CA ALA A 125 6.160 9.495 11.936 1.00 0.00 C ATOM 603 C ALA A 125 5.935 8.013 11.533 1.00 0.00 C ATOM 604 O ALA A 125 6.538 7.597 10.535 1.00 0.00 O ATOM 605 CB ALA A 125 7.131 9.669 13.121 1.00 0.00 C ATOM 0 H ALA A 125 4.965 10.686 13.180 1.00 0.00 H new ATOM 0 HA ALA A 125 6.593 9.910 11.026 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.054 9.125 12.918 1.00 0.00 H new ATOM 0 HB2 ALA A 125 7.356 10.727 13.255 1.00 0.00 H new ATOM 0 HB3 ALA A 125 6.671 9.278 14.029 1.00 0.00 H new ATOM 611 N GLU A 126 5.066 7.238 12.235 1.00 0.00 N ATOM 612 CA GLU A 126 4.800 5.824 11.824 1.00 0.00 C ATOM 613 C GLU A 126 4.104 5.689 10.408 1.00 0.00 C ATOM 614 O GLU A 126 4.566 4.948 9.521 1.00 0.00 O ATOM 615 CB GLU A 126 4.070 5.139 13.016 1.00 0.00 C ATOM 616 CG GLU A 126 2.620 5.585 13.320 1.00 0.00 C ATOM 617 CD GLU A 126 1.499 4.622 12.955 1.00 0.00 C ATOM 618 OE1 GLU A 126 1.582 3.940 11.911 1.00 0.00 O ATOM 619 OE2 GLU A 126 0.506 4.573 13.708 1.00 0.00 O ATOM 0 H GLU A 126 4.552 7.549 13.059 1.00 0.00 H new ATOM 0 HA GLU A 126 5.731 5.289 11.638 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.059 4.065 12.831 1.00 0.00 H new ATOM 0 HB3 GLU A 126 4.667 5.302 13.914 1.00 0.00 H new ATOM 0 HG2 GLU A 126 2.549 5.795 14.387 1.00 0.00 H new ATOM 0 HG3 GLU A 126 2.440 6.525 12.797 1.00 0.00 H new ATOM 626 N VAL A 127 3.054 6.517 10.205 1.00 0.00 N ATOM 627 CA VAL A 127 2.256 6.592 8.959 1.00 0.00 C ATOM 628 C VAL A 127 3.122 7.132 7.774 1.00 0.00 C ATOM 629 O VAL A 127 3.139 6.512 6.701 1.00 0.00 O ATOM 630 CB VAL A 127 0.969 7.440 9.245 1.00 0.00 C ATOM 631 CG1 VAL A 127 -0.052 7.377 8.104 1.00 0.00 C ATOM 632 CG2 VAL A 127 0.197 7.115 10.551 1.00 0.00 C ATOM 0 H VAL A 127 2.730 7.168 10.921 1.00 0.00 H new ATOM 0 HA VAL A 127 1.934 5.600 8.643 1.00 0.00 H new ATOM 0 HB VAL A 127 1.400 8.435 9.352 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -0.921 7.983 8.360 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.401 7.759 7.189 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -0.363 6.344 7.951 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -0.671 7.769 10.633 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -0.132 6.076 10.530 1.00 0.00 H new ATOM 0 HG23 VAL A 127 0.851 7.272 11.409 1.00 0.00 H new ATOM 642 N GLU A 128 3.849 8.265 7.995 1.00 0.00 N ATOM 643 CA GLU A 128 4.775 8.845 6.989 1.00 0.00 C ATOM 644 C GLU A 128 5.847 7.792 6.580 1.00 0.00 C ATOM 645 O GLU A 128 5.943 7.525 5.379 1.00 0.00 O ATOM 646 CB GLU A 128 5.346 10.180 7.549 1.00 0.00 C ATOM 647 CG GLU A 128 5.943 11.187 6.531 1.00 0.00 C ATOM 648 CD GLU A 128 7.209 10.789 5.790 1.00 0.00 C ATOM 649 OE1 GLU A 128 8.210 10.417 6.436 1.00 0.00 O ATOM 650 OE2 GLU A 128 7.216 10.883 4.545 1.00 0.00 O ATOM 0 H GLU A 128 3.808 8.793 8.867 1.00 0.00 H new ATOM 0 HA GLU A 128 4.258 9.095 6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 128 4.548 10.685 8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.122 9.936 8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 128 5.176 11.404 5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 128 6.146 12.117 7.062 1.00 0.00 H new ATOM 657 N GLU A 129 6.549 7.112 7.525 1.00 0.00 N ATOM 658 CA GLU A 129 7.523 6.040 7.183 1.00 0.00 C ATOM 659 C GLU A 129 6.890 4.912 6.307 1.00 0.00 C ATOM 660 O GLU A 129 7.437 4.646 5.231 1.00 0.00 O ATOM 661 CB GLU A 129 8.221 5.513 8.472 1.00 0.00 C ATOM 662 CG GLU A 129 9.219 4.322 8.329 1.00 0.00 C ATOM 663 CD GLU A 129 10.295 4.414 7.248 1.00 0.00 C ATOM 664 OE1 GLU A 129 11.059 5.400 7.215 1.00 0.00 O ATOM 665 OE2 GLU A 129 10.358 3.521 6.386 1.00 0.00 O ATOM 0 H GLU A 129 6.459 7.286 8.526 1.00 0.00 H new ATOM 0 HA GLU A 129 8.300 6.472 6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 129 8.758 6.346 8.926 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.443 5.215 9.175 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.720 4.189 9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.637 3.419 8.145 1.00 0.00 H new ATOM 672 N ALA A 130 5.733 4.317 6.699 1.00 0.00 N ATOM 673 CA ALA A 130 5.094 3.270 5.852 1.00 0.00 C ATOM 674 C ALA A 130 4.683 3.706 4.421 1.00 0.00 C ATOM 675 O ALA A 130 5.035 2.992 3.470 1.00 0.00 O ATOM 676 CB ALA A 130 3.889 2.659 6.589 1.00 0.00 C ATOM 0 H ALA A 130 5.237 4.532 7.564 1.00 0.00 H new ATOM 0 HA ALA A 130 5.877 2.528 5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 130 3.428 1.895 5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 130 4.224 2.209 7.523 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.160 3.440 6.804 1.00 0.00 H new ATOM 682 N MET A 131 3.990 4.861 4.240 1.00 0.00 N ATOM 683 CA MET A 131 3.606 5.293 2.861 1.00 0.00 C ATOM 684 C MET A 131 4.824 5.846 2.087 1.00 0.00 C ATOM 685 O MET A 131 4.934 5.469 0.924 1.00 0.00 O ATOM 686 CB MET A 131 2.417 6.264 2.879 1.00 0.00 C ATOM 687 CG MET A 131 1.621 6.421 1.569 1.00 0.00 C ATOM 688 SD MET A 131 2.634 7.199 0.289 1.00 0.00 S ATOM 689 CE MET A 131 1.427 7.628 -0.975 1.00 0.00 C ATOM 0 H MET A 131 3.695 5.487 4.989 1.00 0.00 H new ATOM 0 HA MET A 131 3.266 4.412 2.317 1.00 0.00 H new ATOM 0 HB2 MET A 131 1.727 5.940 3.658 1.00 0.00 H new ATOM 0 HB3 MET A 131 2.787 7.247 3.170 1.00 0.00 H new ATOM 0 HG2 MET A 131 1.281 5.444 1.226 1.00 0.00 H new ATOM 0 HG3 MET A 131 0.730 7.023 1.750 1.00 0.00 H new ATOM 0 HE1 MET A 131 1.930 7.740 -1.935 1.00 0.00 H new ATOM 0 HE2 MET A 131 0.679 6.838 -1.047 1.00 0.00 H new ATOM 0 HE3 MET A 131 0.939 8.566 -0.709 1.00 0.00 H new ATOM 699 N LYS A 132 5.717 6.702 2.648 1.00 0.00 N ATOM 700 CA LYS A 132 6.956 7.142 1.935 1.00 0.00 C ATOM 701 C LYS A 132 7.825 5.903 1.499 1.00 0.00 C ATOM 702 O LYS A 132 8.395 5.951 0.410 1.00 0.00 O ATOM 703 CB LYS A 132 7.668 8.212 2.811 1.00 0.00 C ATOM 704 CG LYS A 132 9.138 8.618 2.534 1.00 0.00 C ATOM 705 CD LYS A 132 10.233 7.581 2.907 1.00 0.00 C ATOM 706 CE LYS A 132 10.002 6.844 4.246 1.00 0.00 C ATOM 707 NZ LYS A 132 11.132 5.915 4.548 1.00 0.00 N ATOM 0 H LYS A 132 5.609 7.100 3.581 1.00 0.00 H new ATOM 0 HA LYS A 132 6.731 7.630 0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 132 7.069 9.121 2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 132 7.622 7.863 3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 132 9.233 8.846 1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 132 9.344 9.540 3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 132 10.300 6.842 2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 132 11.196 8.091 2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 132 9.899 7.571 5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 132 9.068 6.284 4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 11.310 5.907 5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 10.886 4.955 4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 11.987 6.235 4.050 1.00 0.00 H new ATOM 721 N GLU A 133 7.929 4.802 2.296 1.00 0.00 N ATOM 722 CA GLU A 133 8.664 3.581 1.875 1.00 0.00 C ATOM 723 C GLU A 133 7.901 2.796 0.739 1.00 0.00 C ATOM 724 O GLU A 133 8.541 2.280 -0.184 1.00 0.00 O ATOM 725 CB GLU A 133 8.993 2.757 3.144 1.00 0.00 C ATOM 726 CG GLU A 133 10.228 1.844 2.976 1.00 0.00 C ATOM 727 CD GLU A 133 11.574 2.520 2.709 1.00 0.00 C ATOM 728 OE1 GLU A 133 11.764 3.718 3.027 1.00 0.00 O ATOM 729 OE2 GLU A 133 12.452 1.811 2.168 1.00 0.00 O ATOM 0 H GLU A 133 7.515 4.738 3.226 1.00 0.00 H new ATOM 0 HA GLU A 133 9.611 3.838 1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 133 9.164 3.439 3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 133 8.130 2.145 3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.327 1.242 3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.028 1.156 2.155 1.00 0.00 H new ATOM 736 N ALA A 134 6.547 2.708 0.823 1.00 0.00 N ATOM 737 CA ALA A 134 5.697 2.104 -0.245 1.00 0.00 C ATOM 738 C ALA A 134 5.607 2.953 -1.573 1.00 0.00 C ATOM 739 O ALA A 134 5.358 2.395 -2.647 1.00 0.00 O ATOM 740 CB ALA A 134 4.313 1.776 0.347 1.00 0.00 C ATOM 0 H ALA A 134 6.016 3.049 1.624 1.00 0.00 H new ATOM 0 HA ALA A 134 6.183 1.185 -0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 134 3.683 1.334 -0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.427 1.071 1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.848 2.691 0.715 1.00 0.00 H new ATOM 746 N ASP A 135 5.801 4.311 -1.617 1.00 0.00 N ATOM 747 CA ASP A 135 5.807 5.097 -2.906 1.00 0.00 C ATOM 748 C ASP A 135 7.205 4.916 -3.577 1.00 0.00 C ATOM 749 O ASP A 135 8.235 5.418 -3.109 1.00 0.00 O ATOM 750 CB ASP A 135 5.479 6.617 -2.755 1.00 0.00 C ATOM 751 CG ASP A 135 5.665 7.552 -4.007 1.00 0.00 C ATOM 752 OD1 ASP A 135 5.644 7.095 -5.151 1.00 0.00 O ATOM 753 OD2 ASP A 135 5.772 8.780 -3.765 1.00 0.00 O ATOM 0 H ASP A 135 5.954 4.882 -0.786 1.00 0.00 H new ATOM 0 HA ASP A 135 5.001 4.699 -3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 135 4.442 6.702 -2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 135 6.100 7.012 -1.951 1.00 0.00 H new ATOM 758 N GLU A 136 7.204 4.199 -4.701 1.00 0.00 N ATOM 759 CA GLU A 136 8.426 3.957 -5.509 1.00 0.00 C ATOM 760 C GLU A 136 8.931 5.165 -6.375 1.00 0.00 C ATOM 761 O GLU A 136 10.112 5.170 -6.738 1.00 0.00 O ATOM 762 CB GLU A 136 8.248 2.678 -6.378 1.00 0.00 C ATOM 763 CG GLU A 136 7.944 1.387 -5.574 1.00 0.00 C ATOM 764 CD GLU A 136 8.532 0.078 -6.102 1.00 0.00 C ATOM 765 OE1 GLU A 136 7.971 -0.483 -7.066 1.00 0.00 O ATOM 766 OE2 GLU A 136 9.540 -0.395 -5.536 1.00 0.00 O ATOM 0 H GLU A 136 6.365 3.766 -5.086 1.00 0.00 H new ATOM 0 HA GLU A 136 9.222 3.814 -4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 136 7.438 2.847 -7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.156 2.522 -6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 136 8.303 1.532 -4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 136 6.862 1.272 -5.517 1.00 0.00 H new ATOM 773 N ASP A 137 8.074 6.155 -6.736 1.00 0.00 N ATOM 774 CA ASP A 137 8.491 7.262 -7.665 1.00 0.00 C ATOM 775 C ASP A 137 8.722 8.684 -7.078 1.00 0.00 C ATOM 776 O ASP A 137 9.325 9.530 -7.754 1.00 0.00 O ATOM 777 CB ASP A 137 7.397 7.246 -8.780 1.00 0.00 C ATOM 778 CG ASP A 137 7.378 8.383 -9.812 1.00 0.00 C ATOM 779 OD1 ASP A 137 6.816 9.454 -9.491 1.00 0.00 O ATOM 780 OD2 ASP A 137 7.914 8.208 -10.928 1.00 0.00 O ATOM 0 H ASP A 137 7.109 6.219 -6.412 1.00 0.00 H new ATOM 0 HA ASP A 137 9.505 7.057 -8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 137 7.494 6.307 -9.325 1.00 0.00 H new ATOM 0 HB3 ASP A 137 6.424 7.230 -8.288 1.00 0.00 H new ATOM 785 N GLY A 138 8.363 8.937 -5.816 1.00 0.00 N ATOM 786 CA GLY A 138 8.397 10.294 -5.241 1.00 0.00 C ATOM 787 C GLY A 138 7.139 11.149 -5.624 1.00 0.00 C ATOM 788 O GLY A 138 7.074 12.303 -5.192 1.00 0.00 O ATOM 0 H GLY A 138 8.043 8.219 -5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 138 8.465 10.222 -4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 138 9.296 10.806 -5.583 1.00 0.00 H new ATOM 792 N ASN A 139 6.127 10.585 -6.349 1.00 0.00 N ATOM 793 CA ASN A 139 4.863 11.275 -6.671 1.00 0.00 C ATOM 794 C ASN A 139 3.783 10.958 -5.596 1.00 0.00 C ATOM 795 O ASN A 139 3.269 9.883 -5.895 1.00 0.00 O ATOM 796 CB ASN A 139 4.334 10.977 -8.124 1.00 0.00 C ATOM 797 CG ASN A 139 2.811 11.208 -8.430 1.00 0.00 C ATOM 798 OD1 ASN A 139 1.943 10.481 -7.914 1.00 0.00 O ATOM 799 ND2 ASN A 139 2.397 12.167 -9.235 1.00 0.00 N ATOM 0 H ASN A 139 6.176 9.637 -6.722 1.00 0.00 H new ATOM 0 HA ASN A 139 5.078 12.343 -6.654 1.00 0.00 H new ATOM 0 HB2 ASN A 139 4.908 11.591 -8.818 1.00 0.00 H new ATOM 0 HB3 ASN A 139 4.564 9.937 -8.353 1.00 0.00 H new ATOM 0 HD21 ASN A 139 1.400 12.289 -9.413 1.00 0.00 H new ATOM 0 HD22 ASN A 139 3.074 12.787 -9.680 1.00 0.00 H new ATOM 806 N GLY A 140 3.937 10.916 -4.274 1.00 0.00 N ATOM 807 CA GLY A 140 2.695 10.984 -3.431 1.00 0.00 C ATOM 808 C GLY A 140 1.455 10.047 -3.435 1.00 0.00 C ATOM 809 O GLY A 140 0.714 10.102 -2.452 1.00 0.00 O ATOM 0 H GLY A 140 4.823 10.842 -3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 140 3.055 10.965 -2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 140 2.292 11.981 -3.609 1.00 0.00 H new ATOM 813 N VAL A 141 1.141 9.307 -4.520 1.00 0.00 N ATOM 814 CA VAL A 141 -0.020 8.366 -4.564 1.00 0.00 C ATOM 815 C VAL A 141 0.493 7.038 -5.195 1.00 0.00 C ATOM 816 O VAL A 141 1.298 7.009 -6.136 1.00 0.00 O ATOM 817 CB VAL A 141 -1.308 8.992 -5.203 1.00 0.00 C ATOM 818 CG1 VAL A 141 -1.748 10.363 -4.644 1.00 0.00 C ATOM 819 CG2 VAL A 141 -1.231 9.233 -6.693 1.00 0.00 C ATOM 0 H VAL A 141 1.675 9.338 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 141 -0.384 8.141 -3.562 1.00 0.00 H new ATOM 0 HB VAL A 141 -2.019 8.208 -4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -2.648 10.695 -5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -1.955 10.272 -3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -0.952 11.091 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -2.169 9.667 -7.040 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -0.412 9.919 -6.909 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -1.057 8.287 -7.206 1.00 0.00 H new ATOM 829 N ILE A 142 -0.013 5.934 -4.623 1.00 0.00 N ATOM 830 CA ILE A 142 0.389 4.565 -4.983 1.00 0.00 C ATOM 831 C ILE A 142 -0.657 3.842 -5.844 1.00 0.00 C ATOM 832 O ILE A 142 -1.810 3.755 -5.444 1.00 0.00 O ATOM 833 CB ILE A 142 0.576 3.620 -3.730 1.00 0.00 C ATOM 834 CG1 ILE A 142 1.082 4.251 -2.397 1.00 0.00 C ATOM 835 CG2 ILE A 142 1.453 2.417 -4.112 1.00 0.00 C ATOM 836 CD1 ILE A 142 1.561 3.261 -1.341 1.00 0.00 C ATOM 0 H ILE A 142 -0.721 5.967 -3.889 1.00 0.00 H new ATOM 0 HA ILE A 142 1.326 4.720 -5.517 1.00 0.00 H new ATOM 0 HB ILE A 142 -0.446 3.331 -3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 142 1.900 4.934 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 142 0.277 4.849 -1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 142 1.579 1.769 -3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 142 0.974 1.858 -4.916 1.00 0.00 H new ATOM 0 HG23 ILE A 142 2.429 2.770 -4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 142 1.891 3.805 -0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 142 0.744 2.592 -1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 142 2.392 2.678 -1.739 1.00 0.00 H new ATOM 848 N ASP A 143 -0.203 3.242 -6.942 1.00 0.00 N ATOM 849 CA ASP A 143 -1.019 2.345 -7.770 1.00 0.00 C ATOM 850 C ASP A 143 -0.675 0.890 -7.328 1.00 0.00 C ATOM 851 O ASP A 143 0.423 0.584 -6.841 1.00 0.00 O ATOM 852 CB ASP A 143 -0.883 2.624 -9.272 1.00 0.00 C ATOM 853 CG ASP A 143 0.290 2.214 -10.159 1.00 0.00 C ATOM 854 OD1 ASP A 143 1.300 1.643 -9.688 1.00 0.00 O ATOM 855 OD2 ASP A 143 0.117 2.379 -11.391 1.00 0.00 O ATOM 0 H ASP A 143 0.749 3.363 -7.288 1.00 0.00 H new ATOM 0 HA ASP A 143 -2.083 2.518 -7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -1.768 2.186 -9.734 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -0.969 3.705 -9.379 1.00 0.00 H new ATOM 860 N ILE A 144 -1.620 -0.043 -7.508 1.00 0.00 N ATOM 861 CA ILE A 144 -1.421 -1.467 -7.095 1.00 0.00 C ATOM 862 C ILE A 144 -0.092 -2.104 -7.674 1.00 0.00 C ATOM 863 O ILE A 144 0.556 -2.771 -6.865 1.00 0.00 O ATOM 864 CB ILE A 144 -2.635 -2.413 -7.452 1.00 0.00 C ATOM 865 CG1 ILE A 144 -4.070 -1.822 -7.312 1.00 0.00 C ATOM 866 CG2 ILE A 144 -2.561 -3.785 -6.709 1.00 0.00 C ATOM 867 CD1 ILE A 144 -5.130 -2.474 -8.192 1.00 0.00 C ATOM 0 H ILE A 144 -2.528 0.146 -7.932 1.00 0.00 H new ATOM 0 HA ILE A 144 -1.343 -1.405 -6.010 1.00 0.00 H new ATOM 0 HB ILE A 144 -2.493 -2.548 -8.524 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -4.381 -1.909 -6.271 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -4.032 -0.758 -7.545 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -3.418 -4.397 -6.989 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -1.641 -4.300 -6.986 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -2.572 -3.617 -5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -6.092 -1.992 -8.020 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -4.851 -2.364 -9.240 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -5.206 -3.533 -7.946 1.00 0.00 H new ATOM 879 N PRO A 145 0.367 -1.952 -8.968 1.00 0.00 N ATOM 880 CA PRO A 145 1.665 -2.500 -9.460 1.00 0.00 C ATOM 881 C PRO A 145 2.922 -2.149 -8.599 1.00 0.00 C ATOM 882 O PRO A 145 3.803 -3.003 -8.494 1.00 0.00 O ATOM 883 CB PRO A 145 1.735 -2.020 -10.921 1.00 0.00 C ATOM 884 CG PRO A 145 0.268 -1.868 -11.333 1.00 0.00 C ATOM 885 CD PRO A 145 -0.386 -1.318 -10.067 1.00 0.00 C ATOM 0 HA PRO A 145 1.689 -3.587 -9.377 1.00 0.00 H new ATOM 0 HB2 PRO A 145 2.273 -1.076 -11.005 1.00 0.00 H new ATOM 0 HB3 PRO A 145 2.254 -2.740 -11.553 1.00 0.00 H new ATOM 0 HG2 PRO A 145 0.154 -1.186 -12.176 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -0.169 -2.821 -11.632 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -0.317 -0.231 -10.023 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -1.445 -1.572 -10.023 1.00 0.00 H new ATOM 893 N GLU A 146 3.012 -0.937 -7.984 1.00 0.00 N ATOM 894 CA GLU A 146 4.122 -0.568 -7.045 1.00 0.00 C ATOM 895 C GLU A 146 4.157 -1.543 -5.810 1.00 0.00 C ATOM 896 O GLU A 146 5.192 -2.157 -5.542 1.00 0.00 O ATOM 897 CB GLU A 146 3.905 0.896 -6.583 1.00 0.00 C ATOM 898 CG GLU A 146 4.154 2.008 -7.628 1.00 0.00 C ATOM 899 CD GLU A 146 3.657 3.361 -7.126 1.00 0.00 C ATOM 900 OE1 GLU A 146 4.303 3.914 -6.209 1.00 0.00 O ATOM 901 OE2 GLU A 146 2.618 3.855 -7.610 1.00 0.00 O ATOM 0 H GLU A 146 2.328 -0.193 -8.120 1.00 0.00 H new ATOM 0 HA GLU A 146 5.081 -0.656 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 146 2.879 0.990 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 146 4.557 1.082 -5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 146 5.219 2.069 -7.851 1.00 0.00 H new ATOM 0 HG3 GLU A 146 3.648 1.755 -8.560 1.00 0.00 H new ATOM 908 N PHE A 147 3.017 -1.700 -5.093 1.00 0.00 N ATOM 909 CA PHE A 147 2.841 -2.658 -3.962 1.00 0.00 C ATOM 910 C PHE A 147 3.165 -4.134 -4.389 1.00 0.00 C ATOM 911 O PHE A 147 3.873 -4.822 -3.647 1.00 0.00 O ATOM 912 CB PHE A 147 1.424 -2.423 -3.365 1.00 0.00 C ATOM 913 CG PHE A 147 0.876 -3.521 -2.439 1.00 0.00 C ATOM 914 CD1 PHE A 147 1.215 -3.552 -1.084 1.00 0.00 C ATOM 915 CD2 PHE A 147 0.016 -4.490 -2.961 1.00 0.00 C ATOM 916 CE1 PHE A 147 0.677 -4.542 -0.258 1.00 0.00 C ATOM 917 CE2 PHE A 147 -0.539 -5.457 -2.121 1.00 0.00 C ATOM 918 CZ PHE A 147 -0.217 -5.473 -0.771 1.00 0.00 C ATOM 0 H PHE A 147 2.176 -1.156 -5.285 1.00 0.00 H new ATOM 0 HA PHE A 147 3.564 -2.477 -3.166 1.00 0.00 H new ATOM 0 HB2 PHE A 147 1.440 -1.485 -2.809 1.00 0.00 H new ATOM 0 HB3 PHE A 147 0.724 -2.293 -4.190 1.00 0.00 H new ATOM 0 HD1 PHE A 147 1.890 -2.814 -0.677 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -0.220 -4.491 -4.015 1.00 0.00 H new ATOM 0 HE1 PHE A 147 0.958 -4.584 0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -1.220 -6.193 -2.522 1.00 0.00 H new ATOM 0 HZ PHE A 147 -0.662 -6.210 -0.119 1.00 0.00 H new ATOM 928 N MET A 148 2.648 -4.600 -5.553 1.00 0.00 N ATOM 929 CA MET A 148 2.955 -5.958 -6.105 1.00 0.00 C ATOM 930 C MET A 148 4.523 -6.144 -6.302 1.00 0.00 C ATOM 931 O MET A 148 5.064 -7.179 -5.884 1.00 0.00 O ATOM 932 CB MET A 148 2.126 -6.304 -7.405 1.00 0.00 C ATOM 933 CG MET A 148 0.991 -7.304 -7.175 1.00 0.00 C ATOM 934 SD MET A 148 1.361 -8.847 -8.046 1.00 0.00 S ATOM 935 CE MET A 148 0.661 -10.086 -6.941 1.00 0.00 C ATOM 0 H MET A 148 2.012 -4.057 -6.136 1.00 0.00 H new ATOM 0 HA MET A 148 2.628 -6.689 -5.365 1.00 0.00 H new ATOM 0 HB2 MET A 148 1.708 -5.383 -7.812 1.00 0.00 H new ATOM 0 HB3 MET A 148 2.803 -6.706 -8.158 1.00 0.00 H new ATOM 0 HG2 MET A 148 0.871 -7.496 -6.109 1.00 0.00 H new ATOM 0 HG3 MET A 148 0.048 -6.889 -7.532 1.00 0.00 H new ATOM 0 HE1 MET A 148 0.821 -11.079 -7.360 1.00 0.00 H new ATOM 0 HE2 MET A 148 1.146 -10.021 -5.967 1.00 0.00 H new ATOM 0 HE3 MET A 148 -0.408 -9.909 -6.826 1.00 0.00 H new ATOM 945 N ASP A 149 5.258 -5.143 -6.878 1.00 0.00 N ATOM 946 CA ASP A 149 6.747 -5.184 -7.034 1.00 0.00 C ATOM 947 C ASP A 149 7.489 -5.175 -5.645 1.00 0.00 C ATOM 948 O ASP A 149 8.464 -5.921 -5.464 1.00 0.00 O ATOM 949 CB ASP A 149 7.190 -4.047 -7.996 1.00 0.00 C ATOM 950 CG ASP A 149 8.312 -4.485 -8.932 1.00 0.00 C ATOM 951 OD1 ASP A 149 9.484 -4.526 -8.512 1.00 0.00 O ATOM 952 OD2 ASP A 149 8.025 -4.875 -10.087 1.00 0.00 O ATOM 0 H ASP A 149 4.837 -4.290 -7.245 1.00 0.00 H new ATOM 0 HA ASP A 149 7.041 -6.130 -7.488 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.334 -3.720 -8.586 1.00 0.00 H new ATOM 0 HB3 ASP A 149 7.521 -3.188 -7.412 1.00 0.00 H new ATOM 957 N LEU A 150 7.004 -4.366 -4.660 1.00 0.00 N ATOM 958 CA LEU A 150 7.502 -4.354 -3.253 1.00 0.00 C ATOM 959 C LEU A 150 7.376 -5.805 -2.669 1.00 0.00 C ATOM 960 O LEU A 150 8.355 -6.305 -2.127 1.00 0.00 O ATOM 961 CB LEU A 150 6.745 -3.304 -2.368 1.00 0.00 C ATOM 962 CG LEU A 150 7.472 -1.945 -2.117 1.00 0.00 C ATOM 963 CD1 LEU A 150 6.824 -0.752 -2.851 1.00 0.00 C ATOM 964 CD2 LEU A 150 7.579 -1.581 -0.617 1.00 0.00 C ATOM 0 H LEU A 150 6.250 -3.698 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 150 8.548 -4.047 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 150 5.783 -3.094 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 150 6.536 -3.762 -1.401 1.00 0.00 H new ATOM 0 HG LEU A 150 8.469 -2.114 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 150 7.382 0.158 -2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 150 6.838 -0.935 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 150 5.793 -0.636 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 150 8.094 -0.626 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 150 6.579 -1.504 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 150 8.139 -2.356 -0.094 1.00 0.00 H new ATOM 976 N ILE A 151 6.228 -6.512 -2.828 1.00 0.00 N ATOM 977 CA ILE A 151 6.083 -7.934 -2.377 1.00 0.00 C ATOM 978 C ILE A 151 7.095 -8.865 -3.134 1.00 0.00 C ATOM 979 O ILE A 151 7.657 -9.748 -2.477 1.00 0.00 O ATOM 980 CB ILE A 151 4.585 -8.395 -2.437 1.00 0.00 C ATOM 981 CG1 ILE A 151 3.738 -7.600 -1.397 1.00 0.00 C ATOM 982 CG2 ILE A 151 4.408 -9.925 -2.226 1.00 0.00 C ATOM 983 CD1 ILE A 151 2.232 -7.834 -1.425 1.00 0.00 C ATOM 0 H ILE A 151 5.388 -6.129 -3.262 1.00 0.00 H new ATOM 0 HA ILE A 151 6.357 -8.013 -1.325 1.00 0.00 H new ATOM 0 HB ILE A 151 4.228 -8.179 -3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 151 4.103 -7.846 -0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 151 3.921 -6.536 -1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 151 3.349 -10.180 -2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 151 4.950 -10.465 -3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 151 4.800 -10.205 -1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 151 1.755 -7.226 -0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 151 1.839 -7.557 -2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 151 2.024 -8.887 -1.235 1.00 0.00 H new ATOM 995 N LYS A 152 7.340 -8.689 -4.457 1.00 0.00 N ATOM 996 CA LYS A 152 8.362 -9.493 -5.195 1.00 0.00 C ATOM 997 C LYS A 152 9.817 -9.332 -4.585 1.00 0.00 C ATOM 998 O LYS A 152 10.466 -10.357 -4.350 1.00 0.00 O ATOM 999 CB LYS A 152 8.227 -9.213 -6.741 1.00 0.00 C ATOM 1000 CG LYS A 152 9.366 -8.459 -7.478 1.00 0.00 C ATOM 1001 CD LYS A 152 9.066 -8.132 -8.953 1.00 0.00 C ATOM 1002 CE LYS A 152 10.238 -7.381 -9.621 1.00 0.00 C ATOM 1003 NZ LYS A 152 9.761 -6.667 -10.834 1.00 0.00 N ATOM 0 H LYS A 152 6.852 -8.005 -5.035 1.00 0.00 H new ATOM 0 HA LYS A 152 8.169 -10.557 -5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 152 8.095 -10.174 -7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 152 7.308 -8.647 -6.893 1.00 0.00 H new ATOM 0 HG2 LYS A 152 9.572 -7.529 -6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 152 10.273 -9.061 -7.430 1.00 0.00 H new ATOM 0 HD2 LYS A 152 8.868 -9.055 -9.497 1.00 0.00 H new ATOM 0 HD3 LYS A 152 8.163 -7.525 -9.015 1.00 0.00 H new ATOM 0 HE2 LYS A 152 10.672 -6.670 -8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 152 11.025 -8.085 -9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 10.489 -5.995 -11.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 9.573 -7.355 -11.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 8.886 -6.150 -10.611 1.00 0.00 H new