USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 472 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 107 MET CE :methyl 179:sc= -0.132 (180deg=-0.135) USER MOD Set 1.2: A 112 GLN : amide:sc= 1.27 K(o=1.1,f=-1) USER MOD Set 2.1: A 84 GLN : amide:sc= 0.0231 K(o=0.44,f=2.1) USER MOD Set 2.2: A 136 TYR OH : rot 45:sc= 0.418 USER MOD Single : A 97 HIS : no HE2:sc= -0.0614 K(o=-0.061,f=-7.1!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.185 USER MOD Single : A 116 GLN : amide:sc= -0.612 K(o=-0.61,f=-0.025) USER MOD Single : A 122 MET CE :methyl 138:sc= 0 (180deg=-0.255) USER MOD Single : A 130 GLN : amide:sc= 1.02 K(o=1,f=-0.0042) USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 78 0.986 -13.287 -3.703 1.00 10.00 N ATOM 38 CA ALA A 78 1.254 -12.103 -2.914 1.00 10.00 C ATOM 39 C ALA A 78 2.041 -11.116 -3.768 1.00 10.00 C ATOM 40 O ALA A 78 2.640 -11.477 -4.780 1.00 10.00 O ATOM 41 CB ALA A 78 2.086 -12.412 -1.694 1.00 10.00 C ATOM 0 HA ALA A 78 0.296 -11.696 -2.592 1.00 10.00 H new ATOM 0 HB1 ALA A 78 2.262 -11.495 -1.132 1.00 10.00 H new ATOM 0 HB2 ALA A 78 1.557 -13.127 -1.064 1.00 10.00 H new ATOM 0 HB3 ALA A 78 3.041 -12.838 -2.003 1.00 10.00 H new ATOM 47 N GLY A 79 1.976 -9.853 -3.389 1.00 10.00 N ATOM 48 CA GLY A 79 1.577 -8.909 -4.396 1.00 10.00 C ATOM 49 C GLY A 79 0.070 -8.806 -4.216 1.00 10.00 C ATOM 50 O GLY A 79 -0.424 -9.010 -3.105 1.00 10.00 O ATOM 0 H GLY A 79 2.179 -9.483 -2.461 1.00 10.00 H new ATOM 0 HA2 GLY A 79 2.064 -7.944 -4.256 1.00 10.00 H new ATOM 0 HA3 GLY A 79 1.838 -9.256 -5.396 1.00 10.00 H new ATOM 54 N LEU A 80 -0.652 -8.458 -5.273 1.00 10.00 N ATOM 55 CA LEU A 80 -1.972 -7.884 -5.164 1.00 10.00 C ATOM 56 C LEU A 80 -2.901 -8.468 -4.114 1.00 10.00 C ATOM 57 O LEU A 80 -3.505 -7.700 -3.375 1.00 10.00 O ATOM 58 CB LEU A 80 -2.600 -7.833 -6.552 1.00 10.00 C ATOM 59 CG LEU A 80 -4.108 -7.549 -6.566 1.00 10.00 C ATOM 60 CD1 LEU A 80 -4.522 -6.950 -7.911 1.00 10.00 C ATOM 61 CD2 LEU A 80 -4.897 -8.844 -6.327 1.00 10.00 C ATOM 0 H LEU A 80 -0.329 -8.570 -6.234 1.00 10.00 H new ATOM 0 HA LEU A 80 -1.825 -6.879 -4.768 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -2.094 -7.064 -7.136 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -2.419 -8.784 -7.052 1.00 10.00 H new ATOM 0 HG LEU A 80 -4.329 -6.839 -5.769 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -5.594 -6.753 -7.907 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -3.983 -6.017 -8.075 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -4.285 -7.652 -8.710 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -5.965 -8.627 -6.340 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -4.663 -9.563 -7.113 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -4.623 -9.263 -5.359 1.00 10.00 H new ATOM 73 N GLU A 81 -3.044 -9.788 -4.058 1.00 10.00 N ATOM 74 CA GLU A 81 -3.958 -10.414 -3.101 1.00 10.00 C ATOM 75 C GLU A 81 -3.661 -9.900 -1.685 1.00 10.00 C ATOM 76 O GLU A 81 -4.545 -9.386 -0.995 1.00 10.00 O ATOM 77 CB GLU A 81 -3.888 -11.949 -3.171 1.00 10.00 C ATOM 78 CG GLU A 81 -4.814 -12.563 -4.241 1.00 10.00 C ATOM 79 CD GLU A 81 -4.237 -12.541 -5.650 1.00 10.00 C ATOM 80 OE1 GLU A 81 -3.078 -12.976 -5.814 1.00 10.00 O ATOM 81 OE2 GLU A 81 -4.934 -12.089 -6.587 1.00 10.00 O ATOM 0 H GLU A 81 -2.544 -10.444 -4.658 1.00 10.00 H new ATOM 0 HA GLU A 81 -4.978 -10.136 -3.365 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -2.860 -12.248 -3.377 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -4.150 -12.361 -2.196 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -5.035 -13.595 -3.966 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -5.761 -12.023 -4.239 1.00 10.00 H new ATOM 88 N ASP A 82 -2.393 -9.996 -1.282 1.00 10.00 N ATOM 89 CA ASP A 82 -1.921 -9.511 0.001 1.00 10.00 C ATOM 90 C ASP A 82 -2.226 -8.023 0.116 1.00 10.00 C ATOM 91 O ASP A 82 -2.841 -7.585 1.081 1.00 10.00 O ATOM 92 CB ASP A 82 -0.418 -9.781 0.155 1.00 10.00 C ATOM 93 CG ASP A 82 -0.126 -11.226 0.519 1.00 10.00 C ATOM 94 OD1 ASP A 82 -0.621 -12.107 -0.215 1.00 10.00 O ATOM 95 OD2 ASP A 82 0.608 -11.422 1.511 1.00 10.00 O ATOM 0 H ASP A 82 -1.660 -10.420 -1.851 1.00 10.00 H new ATOM 0 HA ASP A 82 -2.435 -10.040 0.804 1.00 10.00 H new ATOM 0 HB2 ASP A 82 0.091 -9.534 -0.777 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -0.010 -9.125 0.924 1.00 10.00 H new ATOM 100 N LEU A 83 -1.808 -7.228 -0.871 1.00 10.00 N ATOM 101 CA LEU A 83 -1.961 -5.785 -0.803 1.00 10.00 C ATOM 102 C LEU A 83 -3.427 -5.358 -0.677 1.00 10.00 C ATOM 103 O LEU A 83 -3.728 -4.446 0.075 1.00 10.00 O ATOM 104 CB LEU A 83 -1.311 -5.134 -2.019 1.00 10.00 C ATOM 105 CG LEU A 83 0.218 -5.050 -1.961 1.00 10.00 C ATOM 106 CD1 LEU A 83 0.722 -4.043 -0.925 1.00 10.00 C ATOM 107 CD2 LEU A 83 0.951 -6.369 -1.754 1.00 10.00 C ATOM 0 H LEU A 83 -1.362 -7.565 -1.724 1.00 10.00 H new ATOM 0 HA LEU A 83 -1.457 -5.444 0.101 1.00 10.00 H new ATOM 0 HB2 LEU A 83 -1.597 -5.694 -2.910 1.00 10.00 H new ATOM 0 HB3 LEU A 83 -1.712 -4.127 -2.133 1.00 10.00 H new ATOM 0 HG LEU A 83 0.461 -4.709 -2.967 1.00 10.00 H new ATOM 0 HD11 LEU A 83 1.812 -4.029 -0.931 1.00 10.00 H new ATOM 0 HD12 LEU A 83 0.345 -3.050 -1.169 1.00 10.00 H new ATOM 0 HD13 LEU A 83 0.369 -4.332 0.065 1.00 10.00 H new ATOM 0 HD21 LEU A 83 2.026 -6.188 -1.729 1.00 10.00 H new ATOM 0 HD22 LEU A 83 0.637 -6.816 -0.811 1.00 10.00 H new ATOM 0 HD23 LEU A 83 0.716 -7.048 -2.573 1.00 10.00 H new ATOM 119 N GLN A 84 -4.352 -5.993 -1.389 1.00 10.00 N ATOM 120 CA GLN A 84 -5.774 -5.683 -1.309 1.00 10.00 C ATOM 121 C GLN A 84 -6.266 -5.920 0.120 1.00 10.00 C ATOM 122 O GLN A 84 -6.953 -5.078 0.699 1.00 10.00 O ATOM 123 CB GLN A 84 -6.521 -6.567 -2.322 1.00 10.00 C ATOM 124 CG GLN A 84 -7.795 -5.921 -2.871 1.00 10.00 C ATOM 125 CD GLN A 84 -7.484 -5.106 -4.124 1.00 10.00 C ATOM 126 OE1 GLN A 84 -7.318 -5.666 -5.203 1.00 10.00 O ATOM 127 NE2 GLN A 84 -7.399 -3.791 -3.990 1.00 10.00 N ATOM 0 H GLN A 84 -4.133 -6.744 -2.044 1.00 10.00 H new ATOM 0 HA GLN A 84 -5.961 -4.637 -1.554 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -5.854 -6.799 -3.152 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -6.779 -7.513 -1.846 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -8.529 -6.692 -3.104 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -8.239 -5.277 -2.112 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -7.543 -3.361 -3.076 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -7.189 -3.208 -4.800 1.00 10.00 H new ATOM 136 N VAL A 85 -5.893 -7.057 0.713 1.00 10.00 N ATOM 137 CA VAL A 85 -6.217 -7.383 2.076 1.00 10.00 C ATOM 138 C VAL A 85 -5.549 -6.377 3.027 1.00 10.00 C ATOM 139 O VAL A 85 -6.165 -5.966 4.009 1.00 10.00 O ATOM 140 CB VAL A 85 -5.797 -8.847 2.265 1.00 10.00 C ATOM 141 CG1 VAL A 85 -5.762 -9.217 3.733 1.00 10.00 C ATOM 142 CG2 VAL A 85 -6.762 -9.778 1.515 1.00 10.00 C ATOM 0 H VAL A 85 -5.349 -7.779 0.239 1.00 10.00 H new ATOM 0 HA VAL A 85 -7.278 -7.300 2.310 1.00 10.00 H new ATOM 0 HB VAL A 85 -4.794 -8.965 1.856 1.00 10.00 H new ATOM 0 HG11 VAL A 85 -5.462 -10.259 3.838 1.00 10.00 H new ATOM 0 HG12 VAL A 85 -5.047 -8.579 4.252 1.00 10.00 H new ATOM 0 HG13 VAL A 85 -6.753 -9.079 4.167 1.00 10.00 H new ATOM 0 HG21 VAL A 85 -6.453 -10.814 1.657 1.00 10.00 H new ATOM 0 HG22 VAL A 85 -7.772 -9.644 1.903 1.00 10.00 H new ATOM 0 HG23 VAL A 85 -6.747 -9.538 0.452 1.00 10.00 H new ATOM 152 N ALA A 86 -4.319 -5.947 2.724 1.00 10.00 N ATOM 153 CA ALA A 86 -3.625 -4.893 3.453 1.00 10.00 C ATOM 154 C ALA A 86 -4.501 -3.637 3.452 1.00 10.00 C ATOM 155 O ALA A 86 -4.983 -3.195 4.493 1.00 10.00 O ATOM 156 CB ALA A 86 -2.232 -4.632 2.837 1.00 10.00 C ATOM 0 H ALA A 86 -3.774 -6.331 1.952 1.00 10.00 H new ATOM 0 HA ALA A 86 -3.456 -5.198 4.486 1.00 10.00 H new ATOM 0 HB1 ALA A 86 -1.730 -3.842 3.395 1.00 10.00 H new ATOM 0 HB2 ALA A 86 -1.637 -5.544 2.884 1.00 10.00 H new ATOM 0 HB3 ALA A 86 -2.346 -4.326 1.797 1.00 10.00 H new ATOM 162 N PHE A 87 -4.729 -3.087 2.262 1.00 10.00 N ATOM 163 CA PHE A 87 -5.572 -1.938 2.000 1.00 10.00 C ATOM 164 C PHE A 87 -6.877 -2.012 2.779 1.00 10.00 C ATOM 165 O PHE A 87 -7.229 -1.058 3.461 1.00 10.00 O ATOM 166 CB PHE A 87 -5.829 -1.843 0.488 1.00 10.00 C ATOM 167 CG PHE A 87 -4.654 -1.325 -0.322 1.00 10.00 C ATOM 168 CD1 PHE A 87 -3.956 -0.192 0.121 1.00 10.00 C ATOM 169 CD2 PHE A 87 -4.228 -1.969 -1.500 1.00 10.00 C ATOM 170 CE1 PHE A 87 -2.700 0.102 -0.426 1.00 10.00 C ATOM 171 CE2 PHE A 87 -2.955 -1.686 -2.027 1.00 10.00 C ATOM 172 CZ PHE A 87 -2.137 -0.740 -1.391 1.00 10.00 C ATOM 0 H PHE A 87 -4.304 -3.456 1.412 1.00 10.00 H new ATOM 0 HA PHE A 87 -5.060 -1.037 2.337 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -6.102 -2.831 0.117 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -6.686 -1.191 0.319 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -4.383 0.449 0.878 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.876 -2.677 -1.996 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -2.164 0.982 -0.101 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -2.609 -2.194 -2.915 1.00 10.00 H new ATOM 0 HZ PHE A 87 -1.089 -0.663 -1.642 1.00 10.00 H new ATOM 182 N ARG A 88 -7.562 -3.154 2.718 1.00 10.00 N ATOM 183 CA ARG A 88 -8.831 -3.361 3.402 1.00 10.00 C ATOM 184 C ARG A 88 -8.779 -3.021 4.901 1.00 10.00 C ATOM 185 O ARG A 88 -9.831 -2.760 5.486 1.00 10.00 O ATOM 186 CB ARG A 88 -9.317 -4.792 3.122 1.00 10.00 C ATOM 187 CG ARG A 88 -10.746 -5.058 3.614 1.00 10.00 C ATOM 188 CD ARG A 88 -10.763 -5.742 4.989 1.00 10.00 C ATOM 189 NE ARG A 88 -12.129 -5.836 5.523 1.00 10.00 N ATOM 190 CZ ARG A 88 -12.802 -4.840 6.126 1.00 10.00 C ATOM 191 NH1 ARG A 88 -12.248 -3.633 6.278 1.00 10.00 N ATOM 192 NH2 ARG A 88 -14.041 -5.062 6.580 1.00 10.00 N ATOM 0 H ARG A 88 -7.246 -3.966 2.187 1.00 10.00 H new ATOM 0 HA ARG A 88 -9.561 -2.657 3.002 1.00 10.00 H new ATOM 0 HB2 ARG A 88 -9.269 -4.981 2.050 1.00 10.00 H new ATOM 0 HB3 ARG A 88 -8.639 -5.498 3.601 1.00 10.00 H new ATOM 0 HG2 ARG A 88 -11.291 -4.116 3.671 1.00 10.00 H new ATOM 0 HG3 ARG A 88 -11.268 -5.685 2.891 1.00 10.00 H new ATOM 0 HD2 ARG A 88 -10.333 -6.740 4.906 1.00 10.00 H new ATOM 0 HD3 ARG A 88 -10.137 -5.182 5.684 1.00 10.00 H new ATOM 0 HE ARG A 88 -12.607 -6.732 5.428 1.00 10.00 H new ATOM 0 HH11 ARG A 88 -11.304 -3.458 5.935 1.00 10.00 H new ATOM 0 HH12 ARG A 88 -12.770 -2.887 6.737 1.00 10.00 H new ATOM 0 HH21 ARG A 88 -14.468 -5.981 6.468 1.00 10.00 H new ATOM 0 HH22 ARG A 88 -14.558 -4.312 7.039 1.00 10.00 H new ATOM 206 N ALA A 89 -7.605 -3.028 5.546 1.00 10.00 N ATOM 207 CA ALA A 89 -7.467 -2.503 6.899 1.00 10.00 C ATOM 208 C ALA A 89 -7.660 -0.982 6.900 1.00 10.00 C ATOM 209 O ALA A 89 -8.673 -0.486 7.387 1.00 10.00 O ATOM 210 CB ALA A 89 -6.114 -2.904 7.501 1.00 10.00 C ATOM 0 H ALA A 89 -6.740 -3.393 5.147 1.00 10.00 H new ATOM 0 HA ALA A 89 -8.244 -2.938 7.528 1.00 10.00 H new ATOM 0 HB1 ALA A 89 -6.032 -2.502 8.511 1.00 10.00 H new ATOM 0 HB2 ALA A 89 -6.039 -3.991 7.536 1.00 10.00 H new ATOM 0 HB3 ALA A 89 -5.309 -2.504 6.885 1.00 10.00 H new ATOM 216 N PHE A 90 -6.698 -0.236 6.351 1.00 10.00 N ATOM 217 CA PHE A 90 -6.742 1.221 6.308 1.00 10.00 C ATOM 218 C PHE A 90 -7.279 1.644 4.961 1.00 10.00 C ATOM 219 O PHE A 90 -6.599 2.325 4.190 1.00 10.00 O ATOM 220 CB PHE A 90 -5.364 1.806 6.529 1.00 10.00 C ATOM 221 CG PHE A 90 -4.759 1.455 7.865 1.00 10.00 C ATOM 222 CD1 PHE A 90 -4.047 0.257 7.992 1.00 10.00 C ATOM 223 CD2 PHE A 90 -4.942 2.287 8.982 1.00 10.00 C ATOM 224 CE1 PHE A 90 -3.516 -0.120 9.229 1.00 10.00 C ATOM 225 CE2 PHE A 90 -4.414 1.908 10.227 1.00 10.00 C ATOM 226 CZ PHE A 90 -3.722 0.691 10.360 1.00 10.00 C ATOM 0 H PHE A 90 -5.862 -0.633 5.922 1.00 10.00 H new ATOM 0 HA PHE A 90 -7.391 1.590 7.102 1.00 10.00 H new ATOM 0 HB2 PHE A 90 -4.701 1.457 5.738 1.00 10.00 H new ATOM 0 HB3 PHE A 90 -5.422 2.891 6.441 1.00 10.00 H new ATOM 0 HD1 PHE A 90 -3.907 -0.379 7.131 1.00 10.00 H new ATOM 0 HD2 PHE A 90 -5.487 3.214 8.884 1.00 10.00 H new ATOM 0 HE1 PHE A 90 -2.947 -1.034 9.316 1.00 10.00 H new ATOM 0 HE2 PHE A 90 -4.540 2.553 11.084 1.00 10.00 H new ATOM 0 HZ PHE A 90 -3.351 0.381 11.325 1.00 10.00 H new ATOM 236 N ASP A 91 -8.508 1.228 4.677 1.00 10.00 N ATOM 237 CA ASP A 91 -9.147 1.600 3.436 1.00 10.00 C ATOM 238 C ASP A 91 -9.640 3.040 3.590 1.00 10.00 C ATOM 239 O ASP A 91 -10.814 3.292 3.853 1.00 10.00 O ATOM 240 CB ASP A 91 -10.226 0.580 3.066 1.00 10.00 C ATOM 241 CG ASP A 91 -10.536 0.658 1.581 1.00 10.00 C ATOM 242 OD1 ASP A 91 -10.262 1.728 0.998 1.00 10.00 O ATOM 243 OD2 ASP A 91 -10.998 -0.376 1.052 1.00 10.00 O ATOM 0 H ASP A 91 -9.072 0.638 5.289 1.00 10.00 H new ATOM 0 HA ASP A 91 -8.459 1.580 2.591 1.00 10.00 H new ATOM 0 HB2 ASP A 91 -9.890 -0.425 3.322 1.00 10.00 H new ATOM 0 HB3 ASP A 91 -11.130 0.771 3.644 1.00 10.00 H new ATOM 296 N GLY A 96 -10.800 6.480 -4.156 1.00 10.00 N ATOM 297 CA GLY A 96 -9.624 7.314 -4.249 1.00 10.00 C ATOM 298 C GLY A 96 -8.298 6.626 -3.883 1.00 10.00 C ATOM 299 O GLY A 96 -7.640 6.014 -4.728 1.00 10.00 O ATOM 0 HA2 GLY A 96 -9.548 7.694 -5.268 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -9.758 8.177 -3.597 1.00 10.00 H new ATOM 303 N HIS A 97 -7.815 6.861 -2.652 1.00 10.00 N ATOM 304 CA HIS A 97 -6.379 6.935 -2.382 1.00 10.00 C ATOM 305 C HIS A 97 -6.027 6.607 -0.929 1.00 10.00 C ATOM 306 O HIS A 97 -6.807 6.894 -0.023 1.00 10.00 O ATOM 307 CB HIS A 97 -5.881 8.338 -2.794 1.00 10.00 C ATOM 308 CG HIS A 97 -5.028 9.090 -1.797 1.00 10.00 C ATOM 309 ND1 HIS A 97 -5.407 9.473 -0.530 1.00 10.00 N ATOM 310 CD2 HIS A 97 -3.836 9.700 -2.070 1.00 10.00 C ATOM 311 CE1 HIS A 97 -4.466 10.310 -0.060 1.00 10.00 C ATOM 312 NE2 HIS A 97 -3.521 10.535 -0.991 1.00 10.00 N ATOM 0 H HIS A 97 -8.403 7.002 -1.830 1.00 10.00 H new ATOM 0 HA HIS A 97 -5.870 6.173 -2.972 1.00 10.00 H new ATOM 0 HB2 HIS A 97 -5.311 8.236 -3.717 1.00 10.00 H new ATOM 0 HB3 HIS A 97 -6.752 8.952 -3.024 1.00 10.00 H new ATOM 0 HD1 HIS A 97 -6.249 9.176 -0.037 1.00 10.00 H new ATOM 0 HD2 HIS A 97 -3.242 9.562 -2.961 1.00 10.00 H new ATOM 0 HE1 HIS A 97 -4.468 10.743 0.930 1.00 10.00 H new ATOM 320 N ILE A 98 -4.813 6.084 -0.729 1.00 10.00 N ATOM 321 CA ILE A 98 -4.210 5.772 0.572 1.00 10.00 C ATOM 322 C ILE A 98 -3.244 6.854 1.074 1.00 10.00 C ATOM 323 O ILE A 98 -2.767 7.680 0.301 1.00 10.00 O ATOM 324 CB ILE A 98 -3.356 4.497 0.466 1.00 10.00 C ATOM 325 CG1 ILE A 98 -2.614 4.350 -0.870 1.00 10.00 C ATOM 326 CG2 ILE A 98 -4.085 3.214 0.849 1.00 10.00 C ATOM 327 CD1 ILE A 98 -1.255 3.728 -0.590 1.00 10.00 C ATOM 0 H ILE A 98 -4.194 5.856 -1.507 1.00 10.00 H new ATOM 0 HA ILE A 98 -5.053 5.675 1.257 1.00 10.00 H new ATOM 0 HB ILE A 98 -2.593 4.647 1.229 1.00 10.00 H new ATOM 0 HG12 ILE A 98 -3.185 3.724 -1.556 1.00 10.00 H new ATOM 0 HG13 ILE A 98 -2.496 5.322 -1.349 1.00 10.00 H new ATOM 0 HG21 ILE A 98 -3.408 2.366 0.745 1.00 10.00 H new ATOM 0 HG22 ILE A 98 -4.424 3.283 1.883 1.00 10.00 H new ATOM 0 HG23 ILE A 98 -4.945 3.075 0.194 1.00 10.00 H new ATOM 0 HD11 ILE A 98 -0.708 3.613 -1.526 1.00 10.00 H new ATOM 0 HD12 ILE A 98 -0.691 4.374 0.083 1.00 10.00 H new ATOM 0 HD13 ILE A 98 -1.391 2.751 -0.127 1.00 10.00 H new ATOM 339 N THR A 99 -2.835 6.722 2.347 1.00 10.00 N ATOM 340 CA THR A 99 -1.497 7.100 2.798 1.00 10.00 C ATOM 341 C THR A 99 -0.570 5.879 2.872 1.00 10.00 C ATOM 342 O THR A 99 -0.908 4.829 3.418 1.00 10.00 O ATOM 343 CB THR A 99 -1.485 8.001 4.028 1.00 10.00 C ATOM 344 OG1 THR A 99 -0.167 8.096 4.542 1.00 10.00 O ATOM 345 CG2 THR A 99 -2.421 7.413 5.045 1.00 10.00 C ATOM 0 H THR A 99 -3.428 6.349 3.088 1.00 10.00 H new ATOM 0 HA THR A 99 -1.072 7.749 2.032 1.00 10.00 H new ATOM 0 HB THR A 99 -1.813 9.008 3.772 1.00 10.00 H new ATOM 0 HG1 THR A 99 -0.165 8.677 5.331 1.00 10.00 H new ATOM 0 HG21 THR A 99 -2.430 8.040 5.936 1.00 10.00 H new ATOM 0 HG22 THR A 99 -3.426 7.361 4.627 1.00 10.00 H new ATOM 0 HG23 THR A 99 -2.086 6.410 5.311 1.00 10.00 H new ATOM 353 N VAL A 100 0.632 6.043 2.320 1.00 10.00 N ATOM 354 CA VAL A 100 1.754 5.125 2.477 1.00 10.00 C ATOM 355 C VAL A 100 2.010 4.753 3.944 1.00 10.00 C ATOM 356 O VAL A 100 2.455 3.638 4.230 1.00 10.00 O ATOM 357 CB VAL A 100 3.017 5.652 1.788 1.00 10.00 C ATOM 358 CG1 VAL A 100 3.023 5.317 0.289 1.00 10.00 C ATOM 359 CG2 VAL A 100 3.139 7.158 1.970 1.00 10.00 C ATOM 0 H VAL A 100 0.856 6.846 1.732 1.00 10.00 H new ATOM 0 HA VAL A 100 1.474 4.200 1.973 1.00 10.00 H new ATOM 0 HB VAL A 100 3.869 5.160 2.256 1.00 10.00 H new ATOM 0 HG11 VAL A 100 3.933 5.706 -0.167 1.00 10.00 H new ATOM 0 HG12 VAL A 100 2.985 4.236 0.158 1.00 10.00 H new ATOM 0 HG13 VAL A 100 2.155 5.771 -0.189 1.00 10.00 H new ATOM 0 HG21 VAL A 100 4.042 7.513 1.473 1.00 10.00 H new ATOM 0 HG22 VAL A 100 2.269 7.649 1.534 1.00 10.00 H new ATOM 0 HG23 VAL A 100 3.193 7.393 3.033 1.00 10.00 H new ATOM 369 N ASP A 101 1.724 5.667 4.879 1.00 10.00 N ATOM 370 CA ASP A 101 1.880 5.353 6.303 1.00 10.00 C ATOM 371 C ASP A 101 0.976 4.177 6.673 1.00 10.00 C ATOM 372 O ASP A 101 1.417 3.141 7.169 1.00 10.00 O ATOM 373 CB ASP A 101 1.531 6.556 7.185 1.00 10.00 C ATOM 374 CG ASP A 101 1.456 6.120 8.647 1.00 10.00 C ATOM 375 OD1 ASP A 101 2.533 5.878 9.228 1.00 10.00 O ATOM 376 OD2 ASP A 101 0.316 5.989 9.148 1.00 10.00 O ATOM 0 H ASP A 101 1.390 6.610 4.681 1.00 10.00 H new ATOM 0 HA ASP A 101 2.924 5.093 6.476 1.00 10.00 H new ATOM 0 HB2 ASP A 101 2.283 7.336 7.067 1.00 10.00 H new ATOM 0 HB3 ASP A 101 0.578 6.983 6.874 1.00 10.00 H new ATOM 381 N GLU A 102 -0.306 4.349 6.379 1.00 10.00 N ATOM 382 CA GLU A 102 -1.326 3.362 6.654 1.00 10.00 C ATOM 383 C GLU A 102 -1.005 2.025 6.003 1.00 10.00 C ATOM 384 O GLU A 102 -1.263 0.982 6.587 1.00 10.00 O ATOM 385 CB GLU A 102 -2.661 3.901 6.177 1.00 10.00 C ATOM 386 CG GLU A 102 -3.204 4.896 7.207 1.00 10.00 C ATOM 387 CD GLU A 102 -4.586 5.396 6.814 1.00 10.00 C ATOM 388 OE1 GLU A 102 -4.804 5.553 5.592 1.00 10.00 O ATOM 389 OE2 GLU A 102 -5.408 5.564 7.739 1.00 10.00 O ATOM 0 H GLU A 102 -0.666 5.194 5.936 1.00 10.00 H new ATOM 0 HA GLU A 102 -1.368 3.179 7.728 1.00 10.00 H new ATOM 0 HB2 GLU A 102 -2.544 4.389 5.210 1.00 10.00 H new ATOM 0 HB3 GLU A 102 -3.367 3.083 6.038 1.00 10.00 H new ATOM 0 HG2 GLU A 102 -3.252 4.420 8.186 1.00 10.00 H new ATOM 0 HG3 GLU A 102 -2.521 5.741 7.296 1.00 10.00 H new ATOM 396 N LEU A 103 -0.410 2.037 4.816 1.00 10.00 N ATOM 397 CA LEU A 103 0.103 0.830 4.185 1.00 10.00 C ATOM 398 C LEU A 103 1.101 0.107 5.095 1.00 10.00 C ATOM 399 O LEU A 103 1.004 -1.099 5.322 1.00 10.00 O ATOM 400 CB LEU A 103 0.771 1.237 2.874 1.00 10.00 C ATOM 401 CG LEU A 103 0.033 0.693 1.657 1.00 10.00 C ATOM 402 CD1 LEU A 103 0.648 1.418 0.457 1.00 10.00 C ATOM 403 CD2 LEU A 103 0.281 -0.789 1.387 1.00 10.00 C ATOM 0 H LEU A 103 -0.270 2.884 4.265 1.00 10.00 H new ATOM 0 HA LEU A 103 -0.716 0.136 3.997 1.00 10.00 H new ATOM 0 HB2 LEU A 103 0.815 2.324 2.813 1.00 10.00 H new ATOM 0 HB3 LEU A 103 1.799 0.875 2.865 1.00 10.00 H new ATOM 0 HG LEU A 103 -1.035 0.836 1.822 1.00 10.00 H new ATOM 0 HD11 LEU A 103 0.166 1.078 -0.460 1.00 10.00 H new ATOM 0 HD12 LEU A 103 0.501 2.492 0.567 1.00 10.00 H new ATOM 0 HD13 LEU A 103 1.715 1.201 0.408 1.00 10.00 H new ATOM 0 HD21 LEU A 103 -0.280 -1.097 0.505 1.00 10.00 H new ATOM 0 HD22 LEU A 103 1.345 -0.955 1.217 1.00 10.00 H new ATOM 0 HD23 LEU A 103 -0.044 -1.375 2.247 1.00 10.00 H new ATOM 415 N ARG A 104 2.071 0.851 5.625 1.00 10.00 N ATOM 416 CA ARG A 104 3.088 0.317 6.522 1.00 10.00 C ATOM 417 C ARG A 104 2.453 -0.378 7.723 1.00 10.00 C ATOM 418 O ARG A 104 2.937 -1.410 8.187 1.00 10.00 O ATOM 419 CB ARG A 104 4.010 1.464 6.953 1.00 10.00 C ATOM 420 CG ARG A 104 5.392 0.952 7.371 1.00 10.00 C ATOM 421 CD ARG A 104 6.344 2.114 7.675 1.00 10.00 C ATOM 422 NE ARG A 104 6.503 3.002 6.513 1.00 10.00 N ATOM 423 CZ ARG A 104 6.957 4.263 6.570 1.00 10.00 C ATOM 424 NH1 ARG A 104 7.462 4.736 7.717 1.00 10.00 N ATOM 425 NH2 ARG A 104 6.887 5.046 5.489 1.00 10.00 N ATOM 0 H ARG A 104 2.172 1.849 5.441 1.00 10.00 H new ATOM 0 HA ARG A 104 3.676 -0.439 6.003 1.00 10.00 H new ATOM 0 HB2 ARG A 104 4.117 2.173 6.132 1.00 10.00 H new ATOM 0 HB3 ARG A 104 3.555 2.004 7.783 1.00 10.00 H new ATOM 0 HG2 ARG A 104 5.296 0.317 8.251 1.00 10.00 H new ATOM 0 HG3 ARG A 104 5.810 0.334 6.576 1.00 10.00 H new ATOM 0 HD2 ARG A 104 5.963 2.686 8.521 1.00 10.00 H new ATOM 0 HD3 ARG A 104 7.317 1.721 7.969 1.00 10.00 H new ATOM 0 HE ARG A 104 6.249 2.632 5.597 1.00 10.00 H new ATOM 0 HH11 ARG A 104 7.500 4.138 8.542 1.00 10.00 H new ATOM 0 HH12 ARG A 104 7.808 5.694 7.765 1.00 10.00 H new ATOM 0 HH21 ARG A 104 6.489 4.684 4.622 1.00 10.00 H new ATOM 0 HH22 ARG A 104 7.232 6.005 5.531 1.00 10.00 H new ATOM 439 N ARG A 105 1.357 0.193 8.216 1.00 10.00 N ATOM 440 CA ARG A 105 0.567 -0.394 9.280 1.00 10.00 C ATOM 441 C ARG A 105 -0.180 -1.636 8.771 1.00 10.00 C ATOM 442 O ARG A 105 -0.121 -2.696 9.390 1.00 10.00 O ATOM 443 CB ARG A 105 -0.352 0.686 9.854 1.00 10.00 C ATOM 444 CG ARG A 105 0.480 1.797 10.511 1.00 10.00 C ATOM 445 CD ARG A 105 -0.370 3.048 10.741 1.00 10.00 C ATOM 446 NE ARG A 105 0.160 3.854 11.850 1.00 10.00 N ATOM 447 CZ ARG A 105 -0.361 5.030 12.230 1.00 10.00 C ATOM 448 NH1 ARG A 105 -1.042 5.776 11.358 1.00 10.00 N ATOM 449 NH2 ARG A 105 -0.216 5.437 13.496 1.00 10.00 N ATOM 0 H ARG A 105 0.994 1.085 7.881 1.00 10.00 H new ATOM 0 HA ARG A 105 1.203 -0.749 10.091 1.00 10.00 H new ATOM 0 HB2 ARG A 105 -0.971 1.106 9.061 1.00 10.00 H new ATOM 0 HB3 ARG A 105 -1.028 0.246 10.587 1.00 10.00 H new ATOM 0 HG2 ARG A 105 0.880 1.444 11.461 1.00 10.00 H new ATOM 0 HG3 ARG A 105 1.332 2.042 9.877 1.00 10.00 H new ATOM 0 HD2 ARG A 105 -0.393 3.647 9.831 1.00 10.00 H new ATOM 0 HD3 ARG A 105 -1.398 2.758 10.958 1.00 10.00 H new ATOM 0 HE ARG A 105 0.969 3.499 12.359 1.00 10.00 H new ATOM 0 HH11 ARG A 105 -1.168 5.452 10.399 1.00 10.00 H new ATOM 0 HH12 ARG A 105 -1.437 6.670 11.651 1.00 10.00 H new ATOM 0 HH21 ARG A 105 0.288 4.854 14.165 1.00 10.00 H new ATOM 0 HH22 ARG A 105 -0.609 6.330 13.793 1.00 10.00 H new ATOM 463 N ALA A 106 -0.868 -1.511 7.634 1.00 10.00 N ATOM 464 CA ALA A 106 -1.678 -2.540 6.995 1.00 10.00 C ATOM 465 C ALA A 106 -0.929 -3.857 6.868 1.00 10.00 C ATOM 466 O ALA A 106 -1.492 -4.923 7.104 1.00 10.00 O ATOM 467 CB ALA A 106 -2.080 -2.088 5.594 1.00 10.00 C ATOM 0 H ALA A 106 -0.872 -0.637 7.108 1.00 10.00 H new ATOM 0 HA ALA A 106 -2.555 -2.692 7.624 1.00 10.00 H new ATOM 0 HB1 ALA A 106 -2.685 -2.862 5.122 1.00 10.00 H new ATOM 0 HB2 ALA A 106 -2.657 -1.166 5.661 1.00 10.00 H new ATOM 0 HB3 ALA A 106 -1.185 -1.913 4.997 1.00 10.00 H new ATOM 473 N MET A 107 0.346 -3.768 6.492 1.00 10.00 N ATOM 474 CA MET A 107 1.255 -4.900 6.388 1.00 10.00 C ATOM 475 C MET A 107 1.219 -5.827 7.615 1.00 10.00 C ATOM 476 O MET A 107 1.428 -7.034 7.487 1.00 10.00 O ATOM 477 CB MET A 107 2.652 -4.346 6.154 1.00 10.00 C ATOM 478 CG MET A 107 2.797 -3.797 4.732 1.00 10.00 C ATOM 479 SD MET A 107 3.068 -5.068 3.482 1.00 10.00 S ATOM 480 CE MET A 107 4.159 -4.112 2.426 1.00 10.00 C ATOM 0 H MET A 107 0.784 -2.880 6.245 1.00 10.00 H new ATOM 0 HA MET A 107 0.940 -5.528 5.555 1.00 10.00 H new ATOM 0 HB2 MET A 107 2.858 -3.555 6.875 1.00 10.00 H new ATOM 0 HB3 MET A 107 3.390 -5.130 6.321 1.00 10.00 H new ATOM 0 HG2 MET A 107 1.898 -3.236 4.476 1.00 10.00 H new ATOM 0 HG3 MET A 107 3.630 -3.094 4.708 1.00 10.00 H new ATOM 0 HE1 MET A 107 4.472 -4.722 1.579 1.00 10.00 H new ATOM 0 HE2 MET A 107 3.632 -3.230 2.063 1.00 10.00 H new ATOM 0 HE3 MET A 107 5.036 -3.803 2.994 1.00 10.00 H new ATOM 490 N ALA A 108 0.919 -5.293 8.805 1.00 10.00 N ATOM 491 CA ALA A 108 0.716 -6.095 10.008 1.00 10.00 C ATOM 492 C ALA A 108 -0.326 -7.197 9.806 1.00 10.00 C ATOM 493 O ALA A 108 -0.190 -8.287 10.357 1.00 10.00 O ATOM 494 CB ALA A 108 0.343 -5.173 11.171 1.00 10.00 C ATOM 0 H ALA A 108 0.811 -4.290 8.957 1.00 10.00 H new ATOM 0 HA ALA A 108 1.649 -6.608 10.241 1.00 10.00 H new ATOM 0 HB1 ALA A 108 0.190 -5.767 12.072 1.00 10.00 H new ATOM 0 HB2 ALA A 108 1.148 -4.457 11.340 1.00 10.00 H new ATOM 0 HB3 ALA A 108 -0.575 -4.637 10.930 1.00 10.00 H new ATOM 500 N GLY A 109 -1.350 -6.927 8.998 1.00 10.00 N ATOM 501 CA GLY A 109 -2.364 -7.897 8.622 1.00 10.00 C ATOM 502 C GLY A 109 -1.788 -9.084 7.842 1.00 10.00 C ATOM 503 O GLY A 109 -2.358 -10.170 7.879 1.00 10.00 O ATOM 0 H GLY A 109 -1.496 -6.008 8.581 1.00 10.00 H new ATOM 0 HA2 GLY A 109 -2.860 -8.264 9.520 1.00 10.00 H new ATOM 0 HA3 GLY A 109 -3.125 -7.405 8.016 1.00 10.00 H new ATOM 507 N LEU A 110 -0.698 -8.872 7.096 1.00 10.00 N ATOM 508 CA LEU A 110 -0.169 -9.851 6.153 1.00 10.00 C ATOM 509 C LEU A 110 0.734 -10.854 6.861 1.00 10.00 C ATOM 510 O LEU A 110 0.483 -12.057 6.823 1.00 10.00 O ATOM 511 CB LEU A 110 0.583 -9.133 5.020 1.00 10.00 C ATOM 512 CG LEU A 110 -0.336 -8.607 3.905 1.00 10.00 C ATOM 513 CD1 LEU A 110 -1.611 -7.922 4.409 1.00 10.00 C ATOM 514 CD2 LEU A 110 0.456 -7.615 3.046 1.00 10.00 C ATOM 0 H LEU A 110 -0.157 -8.008 7.134 1.00 10.00 H new ATOM 0 HA LEU A 110 -1.001 -10.406 5.720 1.00 10.00 H new ATOM 0 HB2 LEU A 110 1.144 -8.298 5.440 1.00 10.00 H new ATOM 0 HB3 LEU A 110 1.310 -9.820 4.586 1.00 10.00 H new ATOM 0 HG LEU A 110 -0.663 -9.476 3.334 1.00 10.00 H new ATOM 0 HD11 LEU A 110 -2.201 -7.581 3.559 1.00 10.00 H new ATOM 0 HD12 LEU A 110 -2.196 -8.629 4.997 1.00 10.00 H new ATOM 0 HD13 LEU A 110 -1.344 -7.068 5.031 1.00 10.00 H new ATOM 0 HD21 LEU A 110 -0.183 -7.232 2.250 1.00 10.00 H new ATOM 0 HD22 LEU A 110 0.797 -6.787 3.667 1.00 10.00 H new ATOM 0 HD23 LEU A 110 1.318 -8.119 2.609 1.00 10.00 H new ATOM 526 N GLY A 111 1.818 -10.371 7.470 1.00 10.00 N ATOM 527 CA GLY A 111 2.830 -11.237 8.025 1.00 10.00 C ATOM 528 C GLY A 111 4.074 -10.491 8.488 1.00 10.00 C ATOM 529 O GLY A 111 4.648 -10.833 9.517 1.00 10.00 O ATOM 0 H GLY A 111 2.008 -9.376 7.586 1.00 10.00 H new ATOM 0 HA2 GLY A 111 2.408 -11.784 8.868 1.00 10.00 H new ATOM 0 HA3 GLY A 111 3.116 -11.976 7.277 1.00 10.00 H new ATOM 533 N GLN A 112 4.498 -9.480 7.726 1.00 10.00 N ATOM 534 CA GLN A 112 5.658 -8.655 8.036 1.00 10.00 C ATOM 535 C GLN A 112 5.191 -7.305 8.607 1.00 10.00 C ATOM 536 O GLN A 112 5.034 -6.356 7.846 1.00 10.00 O ATOM 537 CB GLN A 112 6.526 -8.499 6.772 1.00 10.00 C ATOM 538 CG GLN A 112 5.729 -8.160 5.497 1.00 10.00 C ATOM 539 CD GLN A 112 6.585 -7.561 4.383 1.00 10.00 C ATOM 540 OE1 GLN A 112 7.810 -7.616 4.421 1.00 10.00 O ATOM 541 NE2 GLN A 112 5.919 -6.983 3.393 1.00 10.00 N ATOM 0 H GLN A 112 4.032 -9.210 6.860 1.00 10.00 H new ATOM 0 HA GLN A 112 6.276 -9.130 8.798 1.00 10.00 H new ATOM 0 HB2 GLN A 112 7.263 -7.715 6.945 1.00 10.00 H new ATOM 0 HB3 GLN A 112 7.078 -9.425 6.607 1.00 10.00 H new ATOM 0 HG2 GLN A 112 5.248 -9.066 5.127 1.00 10.00 H new ATOM 0 HG3 GLN A 112 4.935 -7.458 5.751 1.00 10.00 H new ATOM 0 HE21 GLN A 112 4.899 -6.963 3.407 1.00 10.00 H new ATOM 0 HE22 GLN A 112 6.426 -6.558 2.617 1.00 10.00 H new ATOM 550 N PRO A 113 4.931 -7.175 9.919 1.00 10.00 N ATOM 551 CA PRO A 113 4.416 -5.934 10.476 1.00 10.00 C ATOM 552 C PRO A 113 5.447 -4.811 10.383 1.00 10.00 C ATOM 553 O PRO A 113 6.596 -4.996 10.774 1.00 10.00 O ATOM 554 CB PRO A 113 4.073 -6.251 11.939 1.00 10.00 C ATOM 555 CG PRO A 113 5.017 -7.404 12.277 1.00 10.00 C ATOM 556 CD PRO A 113 5.072 -8.179 10.961 1.00 10.00 C ATOM 0 HA PRO A 113 3.544 -5.583 9.925 1.00 10.00 H new ATOM 0 HB2 PRO A 113 4.240 -5.391 12.587 1.00 10.00 H new ATOM 0 HB3 PRO A 113 3.028 -6.539 12.054 1.00 10.00 H new ATOM 0 HG2 PRO A 113 6.001 -7.048 12.580 1.00 10.00 H new ATOM 0 HG3 PRO A 113 4.634 -8.016 13.094 1.00 10.00 H new ATOM 0 HD2 PRO A 113 6.013 -8.719 10.862 1.00 10.00 H new ATOM 0 HD3 PRO A 113 4.273 -8.918 10.906 1.00 10.00 H new ATOM 564 N LEU A 114 5.030 -3.637 9.891 1.00 10.00 N ATOM 565 CA LEU A 114 5.867 -2.452 9.820 1.00 10.00 C ATOM 566 C LEU A 114 7.179 -2.739 9.064 1.00 10.00 C ATOM 567 O LEU A 114 8.275 -2.535 9.593 1.00 10.00 O ATOM 568 CB LEU A 114 6.064 -1.896 11.244 1.00 10.00 C ATOM 569 CG LEU A 114 6.077 -0.363 11.274 1.00 10.00 C ATOM 570 CD1 LEU A 114 6.245 0.108 12.722 1.00 10.00 C ATOM 571 CD2 LEU A 114 7.203 0.214 10.414 1.00 10.00 C ATOM 0 H LEU A 114 4.088 -3.491 9.529 1.00 10.00 H new ATOM 0 HA LEU A 114 5.378 -1.673 9.235 1.00 10.00 H new ATOM 0 HB2 LEU A 114 5.265 -2.263 11.889 1.00 10.00 H new ATOM 0 HB3 LEU A 114 7.002 -2.273 11.652 1.00 10.00 H new ATOM 0 HG LEU A 114 5.132 -0.007 10.864 1.00 10.00 H new ATOM 0 HD11 LEU A 114 6.255 1.198 12.751 1.00 10.00 H new ATOM 0 HD12 LEU A 114 5.416 -0.263 13.324 1.00 10.00 H new ATOM 0 HD13 LEU A 114 7.184 -0.274 13.122 1.00 10.00 H new ATOM 0 HD21 LEU A 114 7.177 1.303 10.463 1.00 10.00 H new ATOM 0 HD22 LEU A 114 8.164 -0.143 10.785 1.00 10.00 H new ATOM 0 HD23 LEU A 114 7.072 -0.106 9.380 1.00 10.00 H new ATOM 583 N PRO A 115 7.099 -3.202 7.809 1.00 10.00 N ATOM 584 CA PRO A 115 8.255 -3.724 7.113 1.00 10.00 C ATOM 585 C PRO A 115 9.019 -2.588 6.468 1.00 10.00 C ATOM 586 O PRO A 115 8.928 -2.391 5.261 1.00 10.00 O ATOM 587 CB PRO A 115 7.675 -4.671 6.075 1.00 10.00 C ATOM 588 CG PRO A 115 6.350 -4.011 5.691 1.00 10.00 C ATOM 589 CD PRO A 115 5.902 -3.334 6.988 1.00 10.00 C ATOM 0 HA PRO A 115 8.961 -4.234 7.769 1.00 10.00 H new ATOM 0 HB2 PRO A 115 8.335 -4.776 5.214 1.00 10.00 H new ATOM 0 HB3 PRO A 115 7.522 -5.670 6.484 1.00 10.00 H new ATOM 0 HG2 PRO A 115 6.480 -3.289 4.885 1.00 10.00 H new ATOM 0 HG3 PRO A 115 5.620 -4.744 5.348 1.00 10.00 H new ATOM 0 HD2 PRO A 115 5.459 -2.359 6.786 1.00 10.00 H new ATOM 0 HD3 PRO A 115 5.144 -3.929 7.497 1.00 10.00 H new ATOM 597 N GLN A 116 9.771 -1.841 7.275 1.00 10.00 N ATOM 598 CA GLN A 116 10.418 -0.625 6.842 1.00 10.00 C ATOM 599 C GLN A 116 11.097 -0.769 5.484 1.00 10.00 C ATOM 600 O GLN A 116 10.852 0.052 4.625 1.00 10.00 O ATOM 601 CB GLN A 116 11.383 -0.132 7.921 1.00 10.00 C ATOM 602 CG GLN A 116 10.642 0.637 9.021 1.00 10.00 C ATOM 603 CD GLN A 116 10.360 2.117 8.730 1.00 10.00 C ATOM 604 OE1 GLN A 116 10.067 2.868 9.655 1.00 10.00 O ATOM 605 NE2 GLN A 116 10.405 2.586 7.486 1.00 10.00 N ATOM 0 H GLN A 116 9.943 -2.073 8.253 1.00 10.00 H new ATOM 0 HA GLN A 116 9.645 0.131 6.700 1.00 10.00 H new ATOM 0 HB2 GLN A 116 11.908 -0.981 8.358 1.00 10.00 H new ATOM 0 HB3 GLN A 116 12.138 0.512 7.470 1.00 10.00 H new ATOM 0 HG2 GLN A 116 9.692 0.137 9.211 1.00 10.00 H new ATOM 0 HG3 GLN A 116 11.226 0.572 9.939 1.00 10.00 H new ATOM 0 HE21 GLN A 116 10.648 1.964 6.715 1.00 10.00 H new ATOM 0 HE22 GLN A 116 10.196 3.568 7.303 1.00 10.00 H new ATOM 614 N GLU A 117 11.889 -1.810 5.241 1.00 10.00 N ATOM 615 CA GLU A 117 12.587 -1.951 3.961 1.00 10.00 C ATOM 616 C GLU A 117 11.600 -2.106 2.804 1.00 10.00 C ATOM 617 O GLU A 117 11.715 -1.431 1.781 1.00 10.00 O ATOM 618 CB GLU A 117 13.564 -3.130 4.077 1.00 10.00 C ATOM 619 CG GLU A 117 14.729 -3.031 3.090 1.00 10.00 C ATOM 620 CD GLU A 117 15.734 -4.147 3.340 1.00 10.00 C ATOM 621 OE1 GLU A 117 16.385 -4.087 4.406 1.00 10.00 O ATOM 622 OE2 GLU A 117 15.818 -5.047 2.479 1.00 10.00 O ATOM 0 H GLU A 117 12.064 -2.564 5.906 1.00 10.00 H new ATOM 0 HA GLU A 117 13.155 -1.048 3.736 1.00 10.00 H new ATOM 0 HB2 GLU A 117 13.957 -3.173 5.093 1.00 10.00 H new ATOM 0 HB3 GLU A 117 13.025 -4.062 3.904 1.00 10.00 H new ATOM 0 HG2 GLU A 117 14.354 -3.093 2.068 1.00 10.00 H new ATOM 0 HG3 GLU A 117 15.219 -2.063 3.192 1.00 10.00 H new ATOM 629 N GLU A 118 10.598 -2.965 2.978 1.00 10.00 N ATOM 630 CA GLU A 118 9.650 -3.272 1.922 1.00 10.00 C ATOM 631 C GLU A 118 8.792 -2.031 1.676 1.00 10.00 C ATOM 632 O GLU A 118 8.546 -1.652 0.537 1.00 10.00 O ATOM 633 CB GLU A 118 8.843 -4.526 2.311 1.00 10.00 C ATOM 634 CG GLU A 118 8.961 -5.693 1.310 1.00 10.00 C ATOM 635 CD GLU A 118 7.711 -5.890 0.466 1.00 10.00 C ATOM 636 OE1 GLU A 118 6.621 -5.862 1.075 1.00 10.00 O ATOM 637 OE2 GLU A 118 7.865 -6.103 -0.755 1.00 10.00 O ATOM 0 H GLU A 118 10.425 -3.463 3.851 1.00 10.00 H new ATOM 0 HA GLU A 118 10.146 -3.513 0.982 1.00 10.00 H new ATOM 0 HB2 GLU A 118 9.176 -4.868 3.291 1.00 10.00 H new ATOM 0 HB3 GLU A 118 7.793 -4.252 2.409 1.00 10.00 H new ATOM 0 HG2 GLU A 118 9.811 -5.513 0.652 1.00 10.00 H new ATOM 0 HG3 GLU A 118 9.170 -6.612 1.857 1.00 10.00 H new ATOM 644 N LEU A 119 8.383 -1.343 2.743 1.00 10.00 N ATOM 645 CA LEU A 119 7.564 -0.152 2.632 1.00 10.00 C ATOM 646 C LEU A 119 8.366 1.084 2.227 1.00 10.00 C ATOM 647 O LEU A 119 7.797 1.986 1.638 1.00 10.00 O ATOM 648 CB LEU A 119 6.753 0.091 3.903 1.00 10.00 C ATOM 649 CG LEU A 119 5.278 0.437 3.605 1.00 10.00 C ATOM 650 CD1 LEU A 119 5.022 1.625 2.672 1.00 10.00 C ATOM 651 CD2 LEU A 119 4.525 -0.787 3.079 1.00 10.00 C ATOM 0 H LEU A 119 8.613 -1.601 3.703 1.00 10.00 H new ATOM 0 HA LEU A 119 6.860 -0.337 1.821 1.00 10.00 H new ATOM 0 HB2 LEU A 119 6.794 -0.798 4.532 1.00 10.00 H new ATOM 0 HB3 LEU A 119 7.206 0.904 4.470 1.00 10.00 H new ATOM 0 HG LEU A 119 4.899 0.755 4.576 1.00 10.00 H new ATOM 0 HD11 LEU A 119 3.948 1.763 2.544 1.00 10.00 H new ATOM 0 HD12 LEU A 119 5.455 2.527 3.105 1.00 10.00 H new ATOM 0 HD13 LEU A 119 5.481 1.432 1.702 1.00 10.00 H new ATOM 0 HD21 LEU A 119 3.488 -0.517 2.877 1.00 10.00 H new ATOM 0 HD22 LEU A 119 4.995 -1.136 2.160 1.00 10.00 H new ATOM 0 HD23 LEU A 119 4.554 -1.581 3.826 1.00 10.00 H new ATOM 663 N ASP A 120 9.658 1.160 2.531 1.00 10.00 N ATOM 664 CA ASP A 120 10.555 2.229 2.099 1.00 10.00 C ATOM 665 C ASP A 120 10.785 2.063 0.597 1.00 10.00 C ATOM 666 O ASP A 120 10.764 3.025 -0.172 1.00 10.00 O ATOM 667 CB ASP A 120 11.874 2.201 2.887 1.00 10.00 C ATOM 668 CG ASP A 120 11.755 2.741 4.316 1.00 10.00 C ATOM 669 OD1 ASP A 120 10.620 3.011 4.774 1.00 10.00 O ATOM 670 OD2 ASP A 120 12.821 2.880 4.951 1.00 10.00 O ATOM 0 H ASP A 120 10.125 0.457 3.103 1.00 10.00 H new ATOM 0 HA ASP A 120 10.107 3.203 2.297 1.00 10.00 H new ATOM 0 HB2 ASP A 120 12.241 1.175 2.926 1.00 10.00 H new ATOM 0 HB3 ASP A 120 12.620 2.786 2.349 1.00 10.00 H new ATOM 675 N ALA A 121 10.952 0.814 0.168 1.00 10.00 N ATOM 676 CA ALA A 121 10.968 0.455 -1.235 1.00 10.00 C ATOM 677 C ALA A 121 9.639 0.870 -1.896 1.00 10.00 C ATOM 678 O ALA A 121 9.626 1.700 -2.808 1.00 10.00 O ATOM 679 CB ALA A 121 11.306 -1.037 -1.333 1.00 10.00 C ATOM 0 H ALA A 121 11.081 0.020 0.796 1.00 10.00 H new ATOM 0 HA ALA A 121 11.735 0.991 -1.794 1.00 10.00 H new ATOM 0 HB1 ALA A 121 11.325 -1.338 -2.381 1.00 10.00 H new ATOM 0 HB2 ALA A 121 12.283 -1.219 -0.885 1.00 10.00 H new ATOM 0 HB3 ALA A 121 10.550 -1.617 -0.803 1.00 10.00 H new ATOM 685 N MET A 122 8.502 0.369 -1.395 1.00 10.00 N ATOM 686 CA MET A 122 7.187 0.748 -1.886 1.00 10.00 C ATOM 687 C MET A 122 6.947 2.254 -1.739 1.00 10.00 C ATOM 688 O MET A 122 6.192 2.806 -2.517 1.00 10.00 O ATOM 689 CB MET A 122 6.073 -0.051 -1.188 1.00 10.00 C ATOM 690 CG MET A 122 5.560 -1.306 -1.917 1.00 10.00 C ATOM 691 SD MET A 122 6.141 -2.914 -1.320 1.00 10.00 S ATOM 692 CE MET A 122 7.717 -3.037 -2.188 1.00 10.00 C ATOM 0 H MET A 122 8.477 -0.312 -0.636 1.00 10.00 H new ATOM 0 HA MET A 122 7.159 0.505 -2.948 1.00 10.00 H new ATOM 0 HB2 MET A 122 6.436 -0.353 -0.205 1.00 10.00 H new ATOM 0 HB3 MET A 122 5.227 0.617 -1.024 1.00 10.00 H new ATOM 0 HG2 MET A 122 4.471 -1.302 -1.868 1.00 10.00 H new ATOM 0 HG3 MET A 122 5.832 -1.219 -2.969 1.00 10.00 H new ATOM 0 HE1 MET A 122 8.475 -3.432 -1.512 1.00 10.00 H new ATOM 0 HE2 MET A 122 7.610 -3.704 -3.043 1.00 10.00 H new ATOM 0 HE3 MET A 122 8.020 -2.049 -2.534 1.00 10.00 H new ATOM 702 N ILE A 123 7.554 2.945 -0.776 1.00 10.00 N ATOM 703 CA ILE A 123 7.427 4.392 -0.623 1.00 10.00 C ATOM 704 C ILE A 123 7.889 5.068 -1.918 1.00 10.00 C ATOM 705 O ILE A 123 7.285 6.044 -2.355 1.00 10.00 O ATOM 706 CB ILE A 123 8.211 4.873 0.621 1.00 10.00 C ATOM 707 CG1 ILE A 123 7.319 4.999 1.868 1.00 10.00 C ATOM 708 CG2 ILE A 123 9.061 6.139 0.420 1.00 10.00 C ATOM 709 CD1 ILE A 123 6.635 6.360 1.991 1.00 10.00 C ATOM 0 H ILE A 123 8.153 2.512 -0.074 1.00 10.00 H new ATOM 0 HA ILE A 123 6.387 4.669 -0.453 1.00 10.00 H new ATOM 0 HB ILE A 123 8.931 4.072 0.788 1.00 10.00 H new ATOM 0 HG12 ILE A 123 6.558 4.219 1.841 1.00 10.00 H new ATOM 0 HG13 ILE A 123 7.924 4.823 2.757 1.00 10.00 H new ATOM 0 HG21 ILE A 123 9.568 6.389 1.352 1.00 10.00 H new ATOM 0 HG22 ILE A 123 9.802 5.960 -0.359 1.00 10.00 H new ATOM 0 HG23 ILE A 123 8.416 6.967 0.125 1.00 10.00 H new ATOM 0 HD11 ILE A 123 6.022 6.379 2.892 1.00 10.00 H new ATOM 0 HD12 ILE A 123 7.391 7.143 2.050 1.00 10.00 H new ATOM 0 HD13 ILE A 123 6.003 6.530 1.119 1.00 10.00 H new ATOM 721 N ARG A 124 8.961 4.552 -2.531 1.00 10.00 N ATOM 722 CA ARG A 124 9.440 5.043 -3.814 1.00 10.00 C ATOM 723 C ARG A 124 8.561 4.522 -4.954 1.00 10.00 C ATOM 724 O ARG A 124 8.152 5.303 -5.806 1.00 10.00 O ATOM 725 CB ARG A 124 10.924 4.686 -4.013 1.00 10.00 C ATOM 726 CG ARG A 124 11.821 5.932 -3.981 1.00 10.00 C ATOM 727 CD ARG A 124 11.858 6.592 -2.596 1.00 10.00 C ATOM 728 NE ARG A 124 12.733 7.779 -2.593 1.00 10.00 N ATOM 729 CZ ARG A 124 12.359 9.040 -2.877 1.00 10.00 C ATOM 730 NH1 ARG A 124 11.094 9.316 -3.216 1.00 10.00 N ATOM 731 NH2 ARG A 124 13.265 10.024 -2.821 1.00 10.00 N ATOM 0 H ARG A 124 9.514 3.785 -2.148 1.00 10.00 H new ATOM 0 HA ARG A 124 9.367 6.131 -3.823 1.00 10.00 H new ATOM 0 HB2 ARG A 124 11.238 3.992 -3.233 1.00 10.00 H new ATOM 0 HB3 ARG A 124 11.049 4.173 -4.966 1.00 10.00 H new ATOM 0 HG2 ARG A 124 12.833 5.655 -4.275 1.00 10.00 H new ATOM 0 HG3 ARG A 124 11.462 6.654 -4.715 1.00 10.00 H new ATOM 0 HD2 ARG A 124 10.849 6.880 -2.301 1.00 10.00 H new ATOM 0 HD3 ARG A 124 12.213 5.873 -1.857 1.00 10.00 H new ATOM 0 HE ARG A 124 13.713 7.630 -2.353 1.00 10.00 H new ATOM 0 HH11 ARG A 124 10.403 8.567 -3.261 1.00 10.00 H new ATOM 0 HH12 ARG A 124 10.821 10.275 -3.429 1.00 10.00 H new ATOM 0 HH21 ARG A 124 14.230 9.815 -2.565 1.00 10.00 H new ATOM 0 HH22 ARG A 124 12.990 10.983 -3.035 1.00 10.00 H new ATOM 745 N GLU A 125 8.286 3.216 -4.997 1.00 10.00 N ATOM 746 CA GLU A 125 7.556 2.633 -6.123 1.00 10.00 C ATOM 747 C GLU A 125 6.113 3.163 -6.201 1.00 10.00 C ATOM 748 O GLU A 125 5.572 3.378 -7.285 1.00 10.00 O ATOM 749 CB GLU A 125 7.588 1.100 -6.040 1.00 10.00 C ATOM 750 CG GLU A 125 9.011 0.510 -6.022 1.00 10.00 C ATOM 751 CD GLU A 125 9.599 0.317 -7.418 1.00 10.00 C ATOM 752 OE1 GLU A 125 9.444 1.241 -8.244 1.00 10.00 O ATOM 753 OE2 GLU A 125 10.194 -0.760 -7.633 1.00 10.00 O ATOM 0 H GLU A 125 8.555 2.549 -4.273 1.00 10.00 H new ATOM 0 HA GLU A 125 8.054 2.937 -7.044 1.00 10.00 H new ATOM 0 HB2 GLU A 125 7.061 0.783 -5.140 1.00 10.00 H new ATOM 0 HB3 GLU A 125 7.044 0.688 -6.890 1.00 10.00 H new ATOM 0 HG2 GLU A 125 9.663 1.168 -5.448 1.00 10.00 H new ATOM 0 HG3 GLU A 125 8.993 -0.450 -5.506 1.00 10.00 H new ATOM 760 N ALA A 126 5.481 3.391 -5.049 1.00 10.00 N ATOM 761 CA ALA A 126 4.135 3.937 -4.893 1.00 10.00 C ATOM 762 C ALA A 126 4.142 5.442 -5.146 1.00 10.00 C ATOM 763 O ALA A 126 3.616 6.206 -4.337 1.00 10.00 O ATOM 764 CB ALA A 126 3.611 3.637 -3.478 1.00 10.00 C ATOM 0 H ALA A 126 5.920 3.188 -4.151 1.00 10.00 H new ATOM 0 HA ALA A 126 3.475 3.467 -5.622 1.00 10.00 H new ATOM 0 HB1 ALA A 126 2.607 4.047 -3.367 1.00 10.00 H new ATOM 0 HB2 ALA A 126 3.582 2.559 -3.322 1.00 10.00 H new ATOM 0 HB3 ALA A 126 4.272 4.093 -2.741 1.00 10.00 H new ATOM 770 N ASP A 127 4.711 5.865 -6.276 1.00 10.00 N ATOM 771 CA ASP A 127 4.738 7.255 -6.685 1.00 10.00 C ATOM 772 C ASP A 127 3.872 7.413 -7.929 1.00 10.00 C ATOM 773 O ASP A 127 4.363 7.584 -9.044 1.00 10.00 O ATOM 774 CB ASP A 127 6.174 7.722 -6.928 1.00 10.00 C ATOM 775 CG ASP A 127 6.195 9.210 -7.240 1.00 10.00 C ATOM 776 OD1 ASP A 127 5.199 9.873 -6.874 1.00 10.00 O ATOM 777 OD2 ASP A 127 7.210 9.674 -7.802 1.00 10.00 O ATOM 0 H ASP A 127 5.170 5.237 -6.936 1.00 10.00 H new ATOM 0 HA ASP A 127 4.335 7.885 -5.892 1.00 10.00 H new ATOM 0 HB2 ASP A 127 6.784 7.519 -6.048 1.00 10.00 H new ATOM 0 HB3 ASP A 127 6.611 7.163 -7.755 1.00 10.00 H new ATOM 782 N VAL A 128 2.559 7.295 -7.736 1.00 10.00 N ATOM 783 CA VAL A 128 1.605 7.477 -8.820 1.00 10.00 C ATOM 784 C VAL A 128 1.450 8.973 -9.095 1.00 10.00 C ATOM 785 O VAL A 128 1.400 9.378 -10.253 1.00 10.00 O ATOM 786 CB VAL A 128 0.280 6.771 -8.483 1.00 10.00 C ATOM 787 CG1 VAL A 128 -0.863 7.157 -9.430 1.00 10.00 C ATOM 788 CG2 VAL A 128 0.469 5.248 -8.555 1.00 10.00 C ATOM 0 H VAL A 128 2.135 7.074 -6.835 1.00 10.00 H new ATOM 0 HA VAL A 128 1.965 7.014 -9.739 1.00 10.00 H new ATOM 0 HB VAL A 128 0.008 7.091 -7.477 1.00 10.00 H new ATOM 0 HG11 VAL A 128 -1.770 6.626 -9.141 1.00 10.00 H new ATOM 0 HG12 VAL A 128 -1.037 8.231 -9.372 1.00 10.00 H new ATOM 0 HG13 VAL A 128 -0.596 6.888 -10.452 1.00 10.00 H new ATOM 0 HG21 VAL A 128 -0.472 4.753 -8.316 1.00 10.00 H new ATOM 0 HG22 VAL A 128 0.781 4.967 -9.561 1.00 10.00 H new ATOM 0 HG23 VAL A 128 1.232 4.942 -7.840 1.00 10.00 H new ATOM 798 N ASP A 129 1.350 9.788 -8.038 1.00 10.00 N ATOM 799 CA ASP A 129 1.130 11.222 -8.189 1.00 10.00 C ATOM 800 C ASP A 129 2.382 11.942 -8.714 1.00 10.00 C ATOM 801 O ASP A 129 2.365 12.438 -9.840 1.00 10.00 O ATOM 802 CB ASP A 129 0.644 11.782 -6.850 1.00 10.00 C ATOM 803 CG ASP A 129 0.109 13.206 -6.945 1.00 10.00 C ATOM 804 OD1 ASP A 129 0.594 13.964 -7.808 1.00 10.00 O ATOM 805 OD2 ASP A 129 -0.790 13.511 -6.132 1.00 10.00 O ATOM 0 H ASP A 129 1.419 9.474 -7.070 1.00 10.00 H new ATOM 0 HA ASP A 129 0.363 11.398 -8.943 1.00 10.00 H new ATOM 0 HB2 ASP A 129 -0.139 11.134 -6.457 1.00 10.00 H new ATOM 0 HB3 ASP A 129 1.467 11.758 -6.135 1.00 10.00 H new ATOM 810 N GLN A 130 3.444 11.976 -7.890 1.00 10.00 N ATOM 811 CA GLN A 130 4.738 12.658 -8.011 1.00 10.00 C ATOM 812 C GLN A 130 5.178 13.147 -6.618 1.00 10.00 C ATOM 813 O GLN A 130 5.445 14.332 -6.425 1.00 10.00 O ATOM 814 CB GLN A 130 4.728 13.800 -9.041 1.00 10.00 C ATOM 815 CG GLN A 130 5.093 13.301 -10.447 1.00 10.00 C ATOM 816 CD GLN A 130 4.578 14.254 -11.518 1.00 10.00 C ATOM 817 OE1 GLN A 130 5.349 14.936 -12.188 1.00 10.00 O ATOM 818 NE2 GLN A 130 3.263 14.307 -11.685 1.00 10.00 N ATOM 0 H GLN A 130 3.406 11.458 -7.012 1.00 10.00 H new ATOM 0 HA GLN A 130 5.464 11.940 -8.393 1.00 10.00 H new ATOM 0 HB2 GLN A 130 3.740 14.261 -9.064 1.00 10.00 H new ATOM 0 HB3 GLN A 130 5.433 14.572 -8.735 1.00 10.00 H new ATOM 0 HG2 GLN A 130 6.175 13.204 -10.532 1.00 10.00 H new ATOM 0 HG3 GLN A 130 4.671 12.309 -10.605 1.00 10.00 H new ATOM 0 HE21 GLN A 130 2.652 13.726 -11.111 1.00 10.00 H new ATOM 0 HE22 GLN A 130 2.863 14.929 -12.388 1.00 10.00 H new ATOM 827 N ASP A 131 5.263 12.227 -5.651 1.00 10.00 N ATOM 828 CA ASP A 131 5.837 12.422 -4.317 1.00 10.00 C ATOM 829 C ASP A 131 5.761 11.099 -3.553 1.00 10.00 C ATOM 830 O ASP A 131 6.748 10.578 -3.038 1.00 10.00 O ATOM 831 CB ASP A 131 5.090 13.514 -3.514 1.00 10.00 C ATOM 832 CG ASP A 131 6.036 14.410 -2.719 1.00 10.00 C ATOM 833 OD1 ASP A 131 7.116 13.917 -2.327 1.00 10.00 O ATOM 834 OD2 ASP A 131 5.642 15.573 -2.487 1.00 10.00 O ATOM 0 H ASP A 131 4.915 11.278 -5.786 1.00 10.00 H new ATOM 0 HA ASP A 131 6.870 12.749 -4.438 1.00 10.00 H new ATOM 0 HB2 ASP A 131 4.505 14.127 -4.199 1.00 10.00 H new ATOM 0 HB3 ASP A 131 4.386 13.039 -2.831 1.00 10.00 H new ATOM 839 N GLY A 132 4.531 10.582 -3.479 1.00 10.00 N ATOM 840 CA GLY A 132 4.155 9.428 -2.672 1.00 10.00 C ATOM 841 C GLY A 132 2.642 9.311 -2.437 1.00 10.00 C ATOM 842 O GLY A 132 2.217 8.472 -1.644 1.00 10.00 O ATOM 0 H GLY A 132 3.745 10.973 -3.999 1.00 10.00 H new ATOM 0 HA2 GLY A 132 4.510 8.521 -3.162 1.00 10.00 H new ATOM 0 HA3 GLY A 132 4.661 9.488 -1.708 1.00 10.00 H new ATOM 846 N ARG A 133 1.808 10.132 -3.096 1.00 10.00 N ATOM 847 CA ARG A 133 0.374 9.884 -3.148 1.00 10.00 C ATOM 848 C ARG A 133 0.106 8.741 -4.129 1.00 10.00 C ATOM 849 O ARG A 133 0.766 8.635 -5.168 1.00 10.00 O ATOM 850 CB ARG A 133 -0.403 11.134 -3.582 1.00 10.00 C ATOM 851 CG ARG A 133 -0.776 12.091 -2.447 1.00 10.00 C ATOM 852 CD ARG A 133 -1.920 12.969 -2.968 1.00 10.00 C ATOM 853 NE ARG A 133 -2.288 14.045 -2.038 1.00 10.00 N ATOM 854 CZ ARG A 133 -3.513 14.213 -1.516 1.00 10.00 C ATOM 855 NH1 ARG A 133 -4.353 13.178 -1.417 1.00 10.00 N ATOM 856 NH2 ARG A 133 -3.892 15.427 -1.099 1.00 10.00 N ATOM 0 H ARG A 133 2.109 10.968 -3.596 1.00 10.00 H new ATOM 0 HA ARG A 133 0.033 9.616 -2.148 1.00 10.00 H new ATOM 0 HB2 ARG A 133 0.194 11.678 -4.314 1.00 10.00 H new ATOM 0 HB3 ARG A 133 -1.317 10.819 -4.086 1.00 10.00 H new ATOM 0 HG2 ARG A 133 -1.086 11.538 -1.561 1.00 10.00 H new ATOM 0 HG3 ARG A 133 0.080 12.701 -2.159 1.00 10.00 H new ATOM 0 HD2 ARG A 133 -1.629 13.406 -3.923 1.00 10.00 H new ATOM 0 HD3 ARG A 133 -2.793 12.344 -3.156 1.00 10.00 H new ATOM 0 HE ARG A 133 -1.563 14.710 -1.771 1.00 10.00 H new ATOM 0 HH11 ARG A 133 -4.064 12.254 -1.739 1.00 10.00 H new ATOM 0 HH12 ARG A 133 -5.283 13.312 -1.019 1.00 10.00 H new ATOM 0 HH21 ARG A 133 -3.251 16.217 -1.179 1.00 10.00 H new ATOM 0 HH22 ARG A 133 -4.821 15.562 -0.701 1.00 10.00 H new ATOM 870 N VAL A 134 -0.876 7.901 -3.787 1.00 10.00 N ATOM 871 CA VAL A 134 -1.196 6.690 -4.522 1.00 10.00 C ATOM 872 C VAL A 134 -2.704 6.463 -4.545 1.00 10.00 C ATOM 873 O VAL A 134 -3.341 6.389 -3.492 1.00 10.00 O ATOM 874 CB VAL A 134 -0.442 5.463 -3.952 1.00 10.00 C ATOM 875 CG1 VAL A 134 0.502 4.928 -5.031 1.00 10.00 C ATOM 876 CG2 VAL A 134 0.355 5.764 -2.675 1.00 10.00 C ATOM 0 H VAL A 134 -1.476 8.053 -2.977 1.00 10.00 H new ATOM 0 HA VAL A 134 -0.859 6.818 -5.551 1.00 10.00 H new ATOM 0 HB VAL A 134 -1.193 4.724 -3.673 1.00 10.00 H new ATOM 0 HG11 VAL A 134 1.042 4.063 -4.646 1.00 10.00 H new ATOM 0 HG12 VAL A 134 -0.076 4.635 -5.907 1.00 10.00 H new ATOM 0 HG13 VAL A 134 1.214 5.705 -5.309 1.00 10.00 H new ATOM 0 HG21 VAL A 134 0.855 4.857 -2.336 1.00 10.00 H new ATOM 0 HG22 VAL A 134 1.099 6.533 -2.883 1.00 10.00 H new ATOM 0 HG23 VAL A 134 -0.323 6.117 -1.898 1.00 10.00 H new ATOM 886 N ASN A 135 -3.263 6.323 -5.755 1.00 10.00 N ATOM 887 CA ASN A 135 -4.592 5.771 -5.938 1.00 10.00 C ATOM 888 C ASN A 135 -4.561 4.338 -5.419 1.00 10.00 C ATOM 889 O ASN A 135 -3.691 3.555 -5.809 1.00 10.00 O ATOM 890 CB ASN A 135 -5.007 5.799 -7.414 1.00 10.00 C ATOM 891 CG ASN A 135 -5.871 7.011 -7.750 1.00 10.00 C ATOM 892 OD1 ASN A 135 -5.359 8.114 -7.905 1.00 10.00 O ATOM 893 ND2 ASN A 135 -7.182 6.824 -7.877 1.00 10.00 N ATOM 0 H ASN A 135 -2.801 6.591 -6.624 1.00 10.00 H new ATOM 0 HA ASN A 135 -5.324 6.366 -5.393 1.00 10.00 H new ATOM 0 HB2 ASN A 135 -4.115 5.807 -8.040 1.00 10.00 H new ATOM 0 HB3 ASN A 135 -5.555 4.888 -7.652 1.00 10.00 H new ATOM 0 HD21 ASN A 135 -7.789 7.610 -8.109 1.00 10.00 H new ATOM 0 HD22 ASN A 135 -7.580 5.895 -7.742 1.00 10.00 H new ATOM 900 N TYR A 136 -5.497 4.013 -4.530 1.00 10.00 N ATOM 901 CA TYR A 136 -5.496 2.760 -3.785 1.00 10.00 C ATOM 902 C TYR A 136 -5.431 1.561 -4.755 1.00 10.00 C ATOM 903 O TYR A 136 -4.616 0.652 -4.597 1.00 10.00 O ATOM 904 CB TYR A 136 -6.691 2.750 -2.824 1.00 10.00 C ATOM 905 CG TYR A 136 -7.515 1.491 -2.866 1.00 10.00 C ATOM 906 CD1 TYR A 136 -8.513 1.353 -3.838 1.00 10.00 C ATOM 907 CD2 TYR A 136 -7.224 0.423 -2.010 1.00 10.00 C ATOM 908 CE1 TYR A 136 -9.332 0.229 -3.850 1.00 10.00 C ATOM 909 CE2 TYR A 136 -7.910 -0.791 -2.164 1.00 10.00 C ATOM 910 CZ TYR A 136 -8.978 -0.888 -3.077 1.00 10.00 C ATOM 911 OH TYR A 136 -9.453 -2.111 -3.427 1.00 10.00 O ATOM 0 H TYR A 136 -6.285 4.620 -4.306 1.00 10.00 H new ATOM 0 HA TYR A 136 -4.604 2.668 -3.165 1.00 10.00 H new ATOM 0 HB2 TYR A 136 -6.325 2.896 -1.808 1.00 10.00 H new ATOM 0 HB3 TYR A 136 -7.335 3.598 -3.056 1.00 10.00 H new ATOM 0 HD1 TYR A 136 -8.648 2.124 -4.583 1.00 10.00 H new ATOM 0 HD2 TYR A 136 -6.478 0.532 -1.237 1.00 10.00 H new ATOM 0 HE1 TYR A 136 -10.231 0.216 -4.448 1.00 10.00 H new ATOM 0 HE2 TYR A 136 -7.619 -1.653 -1.582 1.00 10.00 H new ATOM 0 HH TYR A 136 -9.357 -2.235 -4.394 1.00 10.00 H new ATOM 921 N GLU A 137 -6.285 1.573 -5.783 1.00 10.00 N ATOM 922 CA GLU A 137 -6.457 0.436 -6.676 1.00 10.00 C ATOM 923 C GLU A 137 -5.319 0.396 -7.697 1.00 10.00 C ATOM 924 O GLU A 137 -4.765 -0.662 -7.981 1.00 10.00 O ATOM 925 CB GLU A 137 -7.829 0.518 -7.368 1.00 10.00 C ATOM 926 CG GLU A 137 -8.321 -0.860 -7.838 1.00 10.00 C ATOM 927 CD GLU A 137 -8.997 -1.637 -6.712 1.00 10.00 C ATOM 928 OE1 GLU A 137 -8.277 -2.108 -5.805 1.00 10.00 O ATOM 929 OE2 GLU A 137 -10.239 -1.728 -6.741 1.00 10.00 O ATOM 0 H GLU A 137 -6.874 2.373 -6.015 1.00 10.00 H new ATOM 0 HA GLU A 137 -6.423 -0.488 -6.099 1.00 10.00 H new ATOM 0 HB2 GLU A 137 -8.557 0.947 -6.680 1.00 10.00 H new ATOM 0 HB3 GLU A 137 -7.764 1.191 -8.223 1.00 10.00 H new ATOM 0 HG2 GLU A 137 -9.022 -0.733 -8.663 1.00 10.00 H new ATOM 0 HG3 GLU A 137 -7.478 -1.435 -8.221 1.00 10.00 H new ATOM 936 N GLU A 138 -4.958 1.560 -8.250 1.00 10.00 N ATOM 937 CA GLU A 138 -3.871 1.692 -9.219 1.00 10.00 C ATOM 938 C GLU A 138 -2.584 1.104 -8.617 1.00 10.00 C ATOM 939 O GLU A 138 -1.877 0.322 -9.254 1.00 10.00 O ATOM 940 CB GLU A 138 -3.738 3.171 -9.635 1.00 10.00 C ATOM 941 CG GLU A 138 -3.478 3.378 -11.137 1.00 10.00 C ATOM 942 CD GLU A 138 -2.102 2.924 -11.595 1.00 10.00 C ATOM 943 OE1 GLU A 138 -1.174 2.962 -10.764 1.00 10.00 O ATOM 944 OE2 GLU A 138 -2.006 2.508 -12.775 1.00 10.00 O ATOM 0 H GLU A 138 -5.419 2.444 -8.033 1.00 10.00 H new ATOM 0 HA GLU A 138 -4.079 1.128 -10.128 1.00 10.00 H new ATOM 0 HB2 GLU A 138 -4.651 3.699 -9.359 1.00 10.00 H new ATOM 0 HB3 GLU A 138 -2.924 3.625 -9.070 1.00 10.00 H new ATOM 0 HG2 GLU A 138 -4.235 2.837 -11.704 1.00 10.00 H new ATOM 0 HG3 GLU A 138 -3.598 4.435 -11.374 1.00 10.00 H new ATOM 951 N PHE A 139 -2.346 1.402 -7.334 1.00 10.00 N ATOM 952 CA PHE A 139 -1.317 0.730 -6.557 1.00 10.00 C ATOM 953 C PHE A 139 -1.465 -0.786 -6.640 1.00 10.00 C ATOM 954 O PHE A 139 -0.567 -1.486 -7.118 1.00 10.00 O ATOM 955 CB PHE A 139 -1.357 1.230 -5.106 1.00 10.00 C ATOM 956 CG PHE A 139 -0.232 0.750 -4.213 1.00 10.00 C ATOM 957 CD1 PHE A 139 0.040 -0.619 -4.036 1.00 10.00 C ATOM 958 CD2 PHE A 139 0.448 1.683 -3.420 1.00 10.00 C ATOM 959 CE1 PHE A 139 1.069 -1.030 -3.188 1.00 10.00 C ATOM 960 CE2 PHE A 139 1.487 1.278 -2.577 1.00 10.00 C ATOM 961 CZ PHE A 139 1.791 -0.083 -2.446 1.00 10.00 C ATOM 0 H PHE A 139 -2.862 2.112 -6.815 1.00 10.00 H new ATOM 0 HA PHE A 139 -0.340 0.972 -6.976 1.00 10.00 H new ATOM 0 HB2 PHE A 139 -1.347 2.320 -5.117 1.00 10.00 H new ATOM 0 HB3 PHE A 139 -2.304 0.924 -4.662 1.00 10.00 H new ATOM 0 HD1 PHE A 139 -0.551 -1.356 -4.559 1.00 10.00 H new ATOM 0 HD2 PHE A 139 0.167 2.725 -3.460 1.00 10.00 H new ATOM 0 HE1 PHE A 139 1.310 -2.079 -3.103 1.00 10.00 H new ATOM 0 HE2 PHE A 139 2.055 2.014 -2.027 1.00 10.00 H new ATOM 0 HZ PHE A 139 2.577 -0.402 -1.777 1.00 10.00 H new ATOM 971 N ALA A 140 -2.567 -1.296 -6.087 1.00 10.00 N ATOM 972 CA ALA A 140 -2.804 -2.724 -5.944 1.00 10.00 C ATOM 973 C ALA A 140 -2.538 -3.446 -7.263 1.00 10.00 C ATOM 974 O ALA A 140 -1.837 -4.454 -7.304 1.00 10.00 O ATOM 975 CB ALA A 140 -4.243 -2.914 -5.480 1.00 10.00 C ATOM 0 H ALA A 140 -3.325 -0.718 -5.724 1.00 10.00 H new ATOM 0 HA ALA A 140 -2.125 -3.154 -5.208 1.00 10.00 H new ATOM 0 HB1 ALA A 140 -4.450 -3.978 -5.364 1.00 10.00 H new ATOM 0 HB2 ALA A 140 -4.387 -2.410 -4.524 1.00 10.00 H new ATOM 0 HB3 ALA A 140 -4.923 -2.491 -6.220 1.00 10.00 H new ATOM 981 N ARG A 141 -3.067 -2.868 -8.341 1.00 10.00 N ATOM 982 CA ARG A 141 -2.865 -3.289 -9.712 1.00 10.00 C ATOM 983 C ARG A 141 -1.385 -3.517 -10.005 1.00 10.00 C ATOM 984 O ARG A 141 -1.015 -4.612 -10.415 1.00 10.00 O ATOM 985 CB ARG A 141 -3.467 -2.218 -10.627 1.00 10.00 C ATOM 986 CG ARG A 141 -3.726 -2.666 -12.075 1.00 10.00 C ATOM 987 CD ARG A 141 -2.474 -2.855 -12.953 1.00 10.00 C ATOM 988 NE ARG A 141 -2.479 -1.954 -14.119 1.00 10.00 N ATOM 989 CZ ARG A 141 -2.193 -0.643 -14.060 1.00 10.00 C ATOM 990 NH1 ARG A 141 -1.806 -0.100 -12.908 1.00 10.00 N ATOM 991 NH2 ARG A 141 -2.301 0.131 -15.145 1.00 10.00 N ATOM 0 H ARG A 141 -3.677 -2.054 -8.270 1.00 10.00 H new ATOM 0 HA ARG A 141 -3.362 -4.243 -9.890 1.00 10.00 H new ATOM 0 HB2 ARG A 141 -4.408 -1.880 -10.194 1.00 10.00 H new ATOM 0 HB3 ARG A 141 -2.797 -1.358 -10.644 1.00 10.00 H new ATOM 0 HG2 ARG A 141 -4.275 -3.607 -12.051 1.00 10.00 H new ATOM 0 HG3 ARG A 141 -4.374 -1.931 -12.552 1.00 10.00 H new ATOM 0 HD2 ARG A 141 -1.581 -2.671 -12.356 1.00 10.00 H new ATOM 0 HD3 ARG A 141 -2.422 -3.889 -13.294 1.00 10.00 H new ATOM 0 HE ARG A 141 -2.715 -2.351 -15.029 1.00 10.00 H new ATOM 0 HH11 ARG A 141 -1.727 -0.679 -12.072 1.00 10.00 H new ATOM 0 HH12 ARG A 141 -1.588 0.895 -12.861 1.00 10.00 H new ATOM 0 HH21 ARG A 141 -2.604 -0.273 -16.031 1.00 10.00 H new ATOM 0 HH22 ARG A 141 -2.081 1.125 -15.086 1.00 10.00 H new ATOM 1005 N MET A 142 -0.520 -2.505 -9.859 1.00 10.00 N ATOM 1006 CA MET A 142 0.873 -2.714 -10.243 1.00 10.00 C ATOM 1007 C MET A 142 1.580 -3.699 -9.304 1.00 10.00 C ATOM 1008 O MET A 142 2.347 -4.537 -9.776 1.00 10.00 O ATOM 1009 CB MET A 142 1.619 -1.414 -10.561 1.00 10.00 C ATOM 1010 CG MET A 142 1.831 -0.435 -9.401 1.00 10.00 C ATOM 1011 SD MET A 142 3.271 -0.777 -8.362 1.00 10.00 S ATOM 1012 CE MET A 142 3.152 0.587 -7.182 1.00 10.00 C ATOM 0 H MET A 142 -0.747 -1.579 -9.496 1.00 10.00 H new ATOM 0 HA MET A 142 0.882 -3.219 -11.209 1.00 10.00 H new ATOM 0 HB2 MET A 142 2.596 -1.674 -10.968 1.00 10.00 H new ATOM 0 HB3 MET A 142 1.074 -0.894 -11.349 1.00 10.00 H new ATOM 0 HG2 MET A 142 1.927 0.571 -9.808 1.00 10.00 H new ATOM 0 HG3 MET A 142 0.940 -0.441 -8.773 1.00 10.00 H new ATOM 0 HE1 MET A 142 3.972 0.522 -6.467 1.00 10.00 H new ATOM 0 HE2 MET A 142 3.210 1.536 -7.716 1.00 10.00 H new ATOM 0 HE3 MET A 142 2.202 0.527 -6.651 1.00 10.00 H new ATOM 1022 N LEU A 143 1.242 -3.713 -8.009 1.00 10.00 N ATOM 1023 CA LEU A 143 1.647 -4.786 -7.110 1.00 10.00 C ATOM 1024 C LEU A 143 1.024 -6.149 -7.434 1.00 10.00 C ATOM 1025 O LEU A 143 1.329 -7.140 -6.774 1.00 10.00 O ATOM 1026 CB LEU A 143 1.386 -4.353 -5.660 1.00 10.00 C ATOM 1027 CG LEU A 143 2.696 -4.079 -4.909 1.00 10.00 C ATOM 1028 CD1 LEU A 143 3.367 -5.391 -4.530 1.00 10.00 C ATOM 1029 CD2 LEU A 143 3.701 -3.202 -5.657 1.00 10.00 C ATOM 0 H LEU A 143 0.684 -2.984 -7.563 1.00 10.00 H new ATOM 0 HA LEU A 143 2.715 -4.948 -7.255 1.00 10.00 H new ATOM 0 HB2 LEU A 143 0.767 -3.456 -5.653 1.00 10.00 H new ATOM 0 HB3 LEU A 143 0.825 -5.131 -5.142 1.00 10.00 H new ATOM 0 HG LEU A 143 2.400 -3.513 -4.026 1.00 10.00 H new ATOM 0 HD11 LEU A 143 4.295 -5.184 -3.998 1.00 10.00 H new ATOM 0 HD12 LEU A 143 2.701 -5.968 -3.888 1.00 10.00 H new ATOM 0 HD13 LEU A 143 3.586 -5.962 -5.432 1.00 10.00 H new ATOM 0 HD21 LEU A 143 4.592 -3.067 -5.044 1.00 10.00 H new ATOM 0 HD22 LEU A 143 3.975 -3.683 -6.596 1.00 10.00 H new ATOM 0 HD23 LEU A 143 3.252 -2.230 -5.865 1.00 10.00 H new ATOM 1041 N ALA A 144 0.192 -6.242 -8.468 1.00 10.00 N ATOM 1042 CA ALA A 144 -0.209 -7.515 -9.041 1.00 10.00 C ATOM 1043 C ALA A 144 0.834 -8.068 -10.014 1.00 10.00 C ATOM 1044 O ALA A 144 0.721 -9.239 -10.371 1.00 10.00 O ATOM 1045 CB ALA A 144 -1.565 -7.367 -9.721 1.00 10.00 C ATOM 0 H ALA A 144 -0.222 -5.432 -8.930 1.00 10.00 H new ATOM 0 HA ALA A 144 -0.290 -8.238 -8.229 1.00 10.00 H new ATOM 0 HB1 ALA A 144 -1.863 -8.324 -10.150 1.00 10.00 H new ATOM 0 HB2 ALA A 144 -2.307 -7.051 -8.988 1.00 10.00 H new ATOM 0 HB3 ALA A 144 -1.496 -6.620 -10.512 1.00 10.00 H new