USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 444 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 1 VAL N :NH3+ 165:sc= -0.134 (180deg=-0.535) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00428 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.041) USER MOD Single : A 22 LYS NZ :NH3+ -147:sc= -0.487 (180deg=-1.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0168 X(o=-0.017,f=-0.12) USER MOD Single : A 30 ASN : amide:sc= -1.62! K(o=-1.6!,f=-0.37) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 148:sc= 0.411 USER MOD Single : A 43 THR OG1 : rot -110:sc= -1.8! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00254 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0222 X(o=-0.022,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -14.923 8.739 4.380 1.00 0.00 N ATOM 2 CA VAL A 1 -13.776 7.850 4.458 1.00 0.00 C ATOM 3 C VAL A 1 -12.546 8.561 3.890 1.00 0.00 C ATOM 4 O VAL A 1 -12.628 9.224 2.857 1.00 0.00 O ATOM 5 CB VAL A 1 -14.086 6.532 3.745 1.00 0.00 C ATOM 6 CG1 VAL A 1 -14.864 5.585 4.661 1.00 0.00 C ATOM 7 CG2 VAL A 1 -14.843 6.779 2.440 1.00 0.00 C ATOM 0 H1 VAL A 1 -15.796 8.192 4.521 1.00 0.00 H new ATOM 0 H2 VAL A 1 -14.848 9.468 5.118 1.00 0.00 H new ATOM 0 H3 VAL A 1 -14.947 9.194 3.445 1.00 0.00 H new ATOM 0 HA VAL A 1 -13.557 7.599 5.496 1.00 0.00 H new ATOM 0 HB VAL A 1 -13.139 6.054 3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -15.072 4.656 4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -14.272 5.371 5.550 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -15.803 6.053 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -15.051 5.826 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -15.782 7.289 2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -14.237 7.399 1.779 1.00 0.00 H new ATOM 17 N THR A 2 -11.433 8.399 4.591 1.00 0.00 N ATOM 18 CA THR A 2 -10.187 9.019 4.171 1.00 0.00 C ATOM 19 C THR A 2 -9.214 7.957 3.651 1.00 0.00 C ATOM 20 O THR A 2 -8.063 7.904 4.080 1.00 0.00 O ATOM 21 CB THR A 2 -9.637 9.823 5.350 1.00 0.00 C ATOM 22 OG1 THR A 2 -9.471 8.855 6.383 1.00 0.00 O ATOM 23 CG2 THR A 2 -10.664 10.803 5.920 1.00 0.00 C ATOM 0 H THR A 2 -11.368 7.848 5.447 1.00 0.00 H new ATOM 0 HA THR A 2 -10.346 9.705 3.339 1.00 0.00 H new ATOM 0 HB THR A 2 -8.749 10.371 5.033 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.116 9.291 7.186 1.00 0.00 H new ATOM 0 HG21 THR A 2 -10.223 11.348 6.754 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.964 11.508 5.144 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.538 10.253 6.268 1.00 0.00 H new ATOM 31 N LEU A 3 -9.713 7.141 2.736 1.00 0.00 N ATOM 32 CA LEU A 3 -8.903 6.085 2.153 1.00 0.00 C ATOM 33 C LEU A 3 -8.260 6.595 0.861 1.00 0.00 C ATOM 34 O LEU A 3 -8.388 7.770 0.523 1.00 0.00 O ATOM 35 CB LEU A 3 -9.733 4.813 1.967 1.00 0.00 C ATOM 36 CG LEU A 3 -10.616 4.410 3.149 1.00 0.00 C ATOM 37 CD1 LEU A 3 -11.648 3.361 2.729 1.00 0.00 C ATOM 38 CD2 LEU A 3 -9.767 3.937 4.332 1.00 0.00 C ATOM 0 H LEU A 3 -10.669 7.189 2.383 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.091 5.812 2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -10.369 4.943 1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.054 3.989 1.748 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.167 5.290 3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.263 3.092 3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.282 3.769 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -11.135 2.474 2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.419 3.656 5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.172 3.075 4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.105 4.742 4.650 1.00 0.00 H new ATOM 50 N PHE A 4 -7.583 5.685 0.176 1.00 0.00 N ATOM 51 CA PHE A 4 -6.921 6.028 -1.071 1.00 0.00 C ATOM 52 C PHE A 4 -7.189 4.970 -2.143 1.00 0.00 C ATOM 53 O PHE A 4 -7.899 3.997 -1.896 1.00 0.00 O ATOM 54 CB PHE A 4 -5.419 6.074 -0.781 1.00 0.00 C ATOM 55 CG PHE A 4 -4.959 7.355 -0.082 1.00 0.00 C ATOM 56 CD1 PHE A 4 -5.535 8.547 -0.398 1.00 0.00 C ATOM 57 CD2 PHE A 4 -3.975 7.303 0.855 1.00 0.00 C ATOM 58 CE1 PHE A 4 -5.108 9.735 0.250 1.00 0.00 C ATOM 59 CE2 PHE A 4 -3.548 8.492 1.503 1.00 0.00 C ATOM 60 CZ PHE A 4 -4.123 9.683 1.187 1.00 0.00 C ATOM 0 H PHE A 4 -7.479 4.711 0.461 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.294 6.983 -1.440 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.153 5.218 -0.161 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.875 5.969 -1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.317 8.589 -1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.518 6.357 1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.565 10.681 -0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.766 8.450 2.247 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.798 10.587 1.680 1.00 0.00 H new ATOM 70 N VAL A 5 -6.606 5.197 -3.311 1.00 0.00 N ATOM 71 CA VAL A 5 -6.773 4.275 -4.423 1.00 0.00 C ATOM 72 C VAL A 5 -5.411 4.007 -5.066 1.00 0.00 C ATOM 73 O VAL A 5 -4.632 4.933 -5.286 1.00 0.00 O ATOM 74 CB VAL A 5 -7.804 4.828 -5.410 1.00 0.00 C ATOM 75 CG1 VAL A 5 -7.212 5.970 -6.238 1.00 0.00 C ATOM 76 CG2 VAL A 5 -8.346 3.719 -6.314 1.00 0.00 C ATOM 0 H VAL A 5 -6.018 6.006 -3.512 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.160 3.318 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.638 5.229 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.965 6.345 -6.931 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.897 6.775 -5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.352 5.605 -6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.077 4.138 -7.006 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.525 3.275 -6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.823 2.952 -5.703 1.00 0.00 H new ATOM 86 N ALA A 6 -5.168 2.737 -5.351 1.00 0.00 N ATOM 87 CA ALA A 6 -3.914 2.335 -5.967 1.00 0.00 C ATOM 88 C ALA A 6 -4.205 1.600 -7.276 1.00 0.00 C ATOM 89 O ALA A 6 -4.887 0.576 -7.279 1.00 0.00 O ATOM 90 CB ALA A 6 -3.114 1.480 -4.983 1.00 0.00 C ATOM 0 H ALA A 6 -5.817 1.972 -5.167 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.308 3.208 -6.208 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.174 1.178 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.907 2.059 -4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.690 0.593 -4.720 1.00 0.00 H new ATOM 96 N LEU A 7 -3.674 2.151 -8.358 1.00 0.00 N ATOM 97 CA LEU A 7 -3.868 1.561 -9.671 1.00 0.00 C ATOM 98 C LEU A 7 -2.505 1.268 -10.301 1.00 0.00 C ATOM 99 O LEU A 7 -2.345 1.366 -11.517 1.00 0.00 O ATOM 100 CB LEU A 7 -4.765 2.453 -10.532 1.00 0.00 C ATOM 101 CG LEU A 7 -6.246 2.486 -10.147 1.00 0.00 C ATOM 102 CD1 LEU A 7 -6.925 3.747 -10.688 1.00 0.00 C ATOM 103 CD2 LEU A 7 -6.960 1.211 -10.602 1.00 0.00 C ATOM 0 H LEU A 7 -3.109 3.000 -8.352 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.391 0.609 -9.587 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.377 3.471 -10.492 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.686 2.122 -11.568 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.315 2.523 -9.060 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.976 3.746 -10.401 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.437 4.629 -10.274 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.846 3.765 -11.775 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.011 1.260 -10.316 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.883 1.118 -11.685 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.496 0.346 -10.129 1.00 0.00 H new ATOM 115 N TYR A 8 -1.557 0.917 -9.445 1.00 0.00 N ATOM 116 CA TYR A 8 -0.213 0.609 -9.903 1.00 0.00 C ATOM 117 C TYR A 8 0.464 -0.405 -8.978 1.00 0.00 C ATOM 118 O TYR A 8 0.842 -0.070 -7.856 1.00 0.00 O ATOM 119 CB TYR A 8 0.563 1.927 -9.849 1.00 0.00 C ATOM 120 CG TYR A 8 1.703 2.021 -10.865 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.777 1.158 -10.777 1.00 0.00 C ATOM 122 CD2 TYR A 8 1.657 2.967 -11.869 1.00 0.00 C ATOM 123 CE1 TYR A 8 3.850 1.246 -11.734 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.730 3.054 -12.824 1.00 0.00 C ATOM 125 CZ TYR A 8 3.773 2.189 -12.710 1.00 0.00 C ATOM 126 OH TYR A 8 4.787 2.272 -13.613 1.00 0.00 O ATOM 0 H TYR A 8 -1.693 0.839 -8.437 1.00 0.00 H new ATOM 0 HA TYR A 8 -0.239 0.179 -10.904 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.130 2.751 -10.018 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.972 2.055 -8.847 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.813 0.418 -9.991 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.816 3.641 -11.938 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.697 0.578 -11.677 1.00 0.00 H new ATOM 0 HE2 TYR A 8 2.707 3.790 -13.614 1.00 0.00 H new ATOM 0 HH TYR A 8 4.597 2.990 -14.253 1.00 0.00 H new ATOM 136 N ASP A 9 0.594 -1.623 -9.482 1.00 0.00 N ATOM 137 CA ASP A 9 1.218 -2.688 -8.714 1.00 0.00 C ATOM 138 C ASP A 9 2.678 -2.835 -9.147 1.00 0.00 C ATOM 139 O ASP A 9 3.106 -2.217 -10.122 1.00 0.00 O ATOM 140 CB ASP A 9 0.516 -4.026 -8.956 1.00 0.00 C ATOM 141 CG ASP A 9 -0.119 -4.181 -10.340 1.00 0.00 C ATOM 142 OD1 ASP A 9 -1.248 -4.674 -10.472 1.00 0.00 O ATOM 143 OD2 ASP A 9 0.607 -3.766 -11.323 1.00 0.00 O ATOM 0 H ASP A 9 0.278 -1.897 -10.412 1.00 0.00 H new ATOM 0 HA ASP A 9 1.146 -2.429 -7.658 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.238 -4.830 -8.812 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.259 -4.155 -8.200 1.00 0.00 H new ATOM 149 N TYR A 10 3.403 -3.655 -8.401 1.00 0.00 N ATOM 150 CA TYR A 10 4.806 -3.891 -8.697 1.00 0.00 C ATOM 151 C TYR A 10 5.204 -5.329 -8.355 1.00 0.00 C ATOM 152 O TYR A 10 4.608 -5.949 -7.477 1.00 0.00 O ATOM 153 CB TYR A 10 5.592 -2.930 -7.803 1.00 0.00 C ATOM 154 CG TYR A 10 6.898 -2.431 -8.422 1.00 0.00 C ATOM 155 CD1 TYR A 10 6.865 -1.597 -9.522 1.00 0.00 C ATOM 156 CD2 TYR A 10 8.109 -2.813 -7.883 1.00 0.00 C ATOM 157 CE1 TYR A 10 8.095 -1.126 -10.105 1.00 0.00 C ATOM 158 CE2 TYR A 10 9.339 -2.342 -8.467 1.00 0.00 C ATOM 159 CZ TYR A 10 9.270 -1.522 -9.549 1.00 0.00 C ATOM 160 OH TYR A 10 10.432 -1.077 -10.100 1.00 0.00 O ATOM 0 H TYR A 10 3.046 -4.164 -7.593 1.00 0.00 H new ATOM 0 HA TYR A 10 5.007 -3.735 -9.757 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.962 -2.072 -7.568 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.816 -3.429 -6.860 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.917 -1.298 -9.945 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.135 -3.465 -7.023 1.00 0.00 H new ATOM 0 HE1 TYR A 10 8.084 -0.473 -10.965 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.294 -2.634 -8.055 1.00 0.00 H new ATOM 0 HH TYR A 10 11.192 -1.440 -9.598 1.00 0.00 H new ATOM 170 N GLU A 11 6.210 -5.815 -9.067 1.00 0.00 N ATOM 171 CA GLU A 11 6.694 -7.168 -8.850 1.00 0.00 C ATOM 172 C GLU A 11 7.794 -7.173 -7.786 1.00 0.00 C ATOM 173 O GLU A 11 8.796 -6.474 -7.920 1.00 0.00 O ATOM 174 CB GLU A 11 7.194 -7.788 -10.157 1.00 0.00 C ATOM 175 CG GLU A 11 6.074 -7.848 -11.198 1.00 0.00 C ATOM 176 CD GLU A 11 6.645 -7.960 -12.612 1.00 0.00 C ATOM 177 OE1 GLU A 11 6.407 -7.075 -13.449 1.00 0.00 O ATOM 178 OE2 GLU A 11 7.361 -9.010 -12.829 1.00 0.00 O ATOM 0 H GLU A 11 6.703 -5.297 -9.794 1.00 0.00 H new ATOM 0 HA GLU A 11 5.864 -7.777 -8.491 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.027 -7.202 -10.547 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.572 -8.792 -9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.429 -8.702 -10.994 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.454 -6.955 -11.122 1.00 0.00 H new ATOM 186 N ALA A 12 7.568 -7.971 -6.752 1.00 0.00 N ATOM 187 CA ALA A 12 8.527 -8.077 -5.665 1.00 0.00 C ATOM 188 C ALA A 12 9.273 -9.408 -5.776 1.00 0.00 C ATOM 189 O ALA A 12 8.653 -10.469 -5.811 1.00 0.00 O ATOM 190 CB ALA A 12 7.801 -7.925 -4.327 1.00 0.00 C ATOM 0 H ALA A 12 6.735 -8.550 -6.644 1.00 0.00 H new ATOM 0 HA ALA A 12 9.267 -7.279 -5.727 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.520 -8.005 -3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.313 -6.951 -4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.052 -8.711 -4.228 1.00 0.00 H new ATOM 196 N ARG A 13 10.593 -9.308 -5.831 1.00 0.00 N ATOM 197 CA ARG A 13 11.429 -10.491 -5.937 1.00 0.00 C ATOM 198 C ARG A 13 12.109 -10.783 -4.598 1.00 0.00 C ATOM 199 O ARG A 13 12.871 -11.741 -4.480 1.00 0.00 O ATOM 200 CB ARG A 13 12.500 -10.313 -7.016 1.00 0.00 C ATOM 201 CG ARG A 13 12.320 -11.335 -8.140 1.00 0.00 C ATOM 202 CD ARG A 13 13.674 -11.782 -8.696 1.00 0.00 C ATOM 203 NE ARG A 13 14.607 -10.634 -8.739 1.00 0.00 N ATOM 204 CZ ARG A 13 14.716 -9.787 -9.784 1.00 0.00 C ATOM 205 NH1 ARG A 13 13.949 -9.951 -10.883 1.00 0.00 N ATOM 206 NH2 ARG A 13 15.583 -8.794 -9.716 1.00 0.00 N ATOM 0 H ARG A 13 11.104 -8.426 -5.804 1.00 0.00 H new ATOM 0 HA ARG A 13 10.786 -11.327 -6.212 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.445 -9.304 -7.425 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.490 -10.424 -6.573 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.773 -12.200 -7.766 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.720 -10.900 -8.939 1.00 0.00 H new ATOM 0 HD2 ARG A 13 14.088 -12.575 -8.073 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.547 -12.196 -9.696 1.00 0.00 H new ATOM 0 HE ARG A 13 15.205 -10.473 -7.928 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.280 -10.720 -10.928 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.038 -9.306 -11.668 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.158 -8.676 -8.882 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.678 -8.145 -10.497 1.00 0.00 H new ATOM 219 N THR A 14 11.808 -9.939 -3.621 1.00 0.00 N ATOM 220 CA THR A 14 12.380 -10.096 -2.295 1.00 0.00 C ATOM 221 C THR A 14 11.429 -10.886 -1.394 1.00 0.00 C ATOM 222 O THR A 14 10.376 -11.338 -1.841 1.00 0.00 O ATOM 223 CB THR A 14 12.711 -8.703 -1.756 1.00 0.00 C ATOM 224 OG1 THR A 14 11.995 -7.819 -2.616 1.00 0.00 O ATOM 225 CG2 THR A 14 14.178 -8.325 -1.970 1.00 0.00 C ATOM 0 H THR A 14 11.176 -9.145 -3.722 1.00 0.00 H new ATOM 0 HA THR A 14 13.302 -10.676 -2.328 1.00 0.00 H new ATOM 0 HB THR A 14 12.477 -8.661 -0.692 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.152 -6.893 -2.337 1.00 0.00 H new ATOM 0 HG21 THR A 14 14.359 -7.328 -1.569 1.00 0.00 H new ATOM 0 HG22 THR A 14 14.817 -9.043 -1.457 1.00 0.00 H new ATOM 0 HG23 THR A 14 14.404 -8.334 -3.036 1.00 0.00 H new ATOM 233 N GLU A 15 11.835 -11.029 -0.140 1.00 0.00 N ATOM 234 CA GLU A 15 11.032 -11.756 0.828 1.00 0.00 C ATOM 235 C GLU A 15 10.446 -10.794 1.863 1.00 0.00 C ATOM 236 O GLU A 15 9.796 -11.221 2.815 1.00 0.00 O ATOM 237 CB GLU A 15 11.853 -12.856 1.505 1.00 0.00 C ATOM 238 CG GLU A 15 13.069 -13.233 0.657 1.00 0.00 C ATOM 239 CD GLU A 15 12.722 -14.344 -0.336 1.00 0.00 C ATOM 240 OE1 GLU A 15 12.579 -15.509 0.064 1.00 0.00 O ATOM 241 OE2 GLU A 15 12.601 -13.962 -1.562 1.00 0.00 O ATOM 0 H GLU A 15 12.709 -10.654 0.227 1.00 0.00 H new ATOM 0 HA GLU A 15 10.208 -12.235 0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.181 -12.517 2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.229 -13.735 1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.426 -12.356 0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.882 -13.561 1.305 1.00 0.00 H new ATOM 249 N ASP A 16 10.699 -9.512 1.640 1.00 0.00 N ATOM 250 CA ASP A 16 10.204 -8.485 2.542 1.00 0.00 C ATOM 251 C ASP A 16 8.747 -8.169 2.198 1.00 0.00 C ATOM 252 O ASP A 16 7.859 -8.338 3.033 1.00 0.00 O ATOM 253 CB ASP A 16 11.013 -7.194 2.403 1.00 0.00 C ATOM 254 CG ASP A 16 10.785 -6.165 3.512 1.00 0.00 C ATOM 255 OD1 ASP A 16 10.463 -6.521 4.655 1.00 0.00 O ATOM 256 OD2 ASP A 16 10.953 -4.936 3.158 1.00 0.00 O ATOM 0 H ASP A 16 11.239 -9.162 0.849 1.00 0.00 H new ATOM 0 HA ASP A 16 10.294 -8.860 3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.073 -7.448 2.376 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.772 -6.733 1.445 1.00 0.00 H new ATOM 262 N ASP A 17 8.547 -7.717 0.969 1.00 0.00 N ATOM 263 CA ASP A 17 7.213 -7.376 0.505 1.00 0.00 C ATOM 264 C ASP A 17 6.740 -8.432 -0.495 1.00 0.00 C ATOM 265 O ASP A 17 7.547 -9.195 -1.027 1.00 0.00 O ATOM 266 CB ASP A 17 7.206 -6.019 -0.201 1.00 0.00 C ATOM 267 CG ASP A 17 8.571 -5.541 -0.697 1.00 0.00 C ATOM 268 OD1 ASP A 17 9.535 -5.447 0.077 1.00 0.00 O ATOM 269 OD2 ASP A 17 8.624 -5.253 -1.953 1.00 0.00 O ATOM 0 H ASP A 17 9.286 -7.579 0.280 1.00 0.00 H new ATOM 0 HA ASP A 17 6.554 -7.335 1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.526 -6.072 -1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.803 -5.272 0.483 1.00 0.00 H new ATOM 275 N LEU A 18 5.435 -8.445 -0.723 1.00 0.00 N ATOM 276 CA LEU A 18 4.846 -9.395 -1.651 1.00 0.00 C ATOM 277 C LEU A 18 4.175 -8.634 -2.795 1.00 0.00 C ATOM 278 O LEU A 18 4.278 -7.411 -2.878 1.00 0.00 O ATOM 279 CB LEU A 18 3.906 -10.350 -0.913 1.00 0.00 C ATOM 280 CG LEU A 18 3.291 -9.819 0.384 1.00 0.00 C ATOM 281 CD1 LEU A 18 1.992 -9.061 0.105 1.00 0.00 C ATOM 282 CD2 LEU A 18 3.090 -10.948 1.397 1.00 0.00 C ATOM 0 H LEU A 18 4.768 -7.812 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 18 5.618 -10.023 -2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.097 -10.626 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.455 -11.263 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 18 3.989 -9.109 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.576 -8.694 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.197 -8.218 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.276 -9.730 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.652 -10.544 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.423 -11.700 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.052 -11.405 1.628 1.00 0.00 H new ATOM 294 N SER A 19 3.500 -9.389 -3.650 1.00 0.00 N ATOM 295 CA SER A 19 2.811 -8.801 -4.787 1.00 0.00 C ATOM 296 C SER A 19 1.400 -8.375 -4.380 1.00 0.00 C ATOM 297 O SER A 19 0.809 -8.958 -3.473 1.00 0.00 O ATOM 298 CB SER A 19 2.753 -9.779 -5.961 1.00 0.00 C ATOM 299 OG SER A 19 2.654 -9.105 -7.213 1.00 0.00 O ATOM 0 H SER A 19 3.416 -10.403 -3.578 1.00 0.00 H new ATOM 0 HA SER A 19 3.370 -7.922 -5.109 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.645 -10.405 -5.956 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.897 -10.443 -5.838 1.00 0.00 H new ATOM 0 HG SER A 19 2.621 -9.764 -7.938 1.00 0.00 H new ATOM 305 N PHE A 20 0.900 -7.361 -5.071 1.00 0.00 N ATOM 306 CA PHE A 20 -0.432 -6.849 -4.793 1.00 0.00 C ATOM 307 C PHE A 20 -1.132 -6.415 -6.083 1.00 0.00 C ATOM 308 O PHE A 20 -0.493 -5.889 -6.993 1.00 0.00 O ATOM 309 CB PHE A 20 -0.263 -5.632 -3.882 1.00 0.00 C ATOM 310 CG PHE A 20 -0.693 -5.873 -2.435 1.00 0.00 C ATOM 311 CD1 PHE A 20 -1.889 -6.462 -2.170 1.00 0.00 C ATOM 312 CD2 PHE A 20 0.122 -5.498 -1.412 1.00 0.00 C ATOM 313 CE1 PHE A 20 -2.288 -6.687 -0.826 1.00 0.00 C ATOM 314 CE2 PHE A 20 -0.277 -5.723 -0.068 1.00 0.00 C ATOM 315 CZ PHE A 20 -1.474 -6.312 0.197 1.00 0.00 C ATOM 0 H PHE A 20 1.393 -6.880 -5.823 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.039 -7.624 -4.325 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.783 -5.325 -3.893 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.842 -4.803 -4.289 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.536 -6.759 -2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.072 -5.029 -1.622 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.238 -7.156 -0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.370 -5.426 0.744 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.778 -6.482 1.219 1.00 0.00 H new ATOM 325 N HIS A 21 -2.435 -6.648 -6.118 1.00 0.00 N ATOM 326 CA HIS A 21 -3.229 -6.287 -7.280 1.00 0.00 C ATOM 327 C HIS A 21 -4.071 -5.050 -6.962 1.00 0.00 C ATOM 328 O HIS A 21 -4.525 -4.878 -5.832 1.00 0.00 O ATOM 329 CB HIS A 21 -4.072 -7.472 -7.752 1.00 0.00 C ATOM 330 CG HIS A 21 -3.526 -8.166 -8.977 1.00 0.00 C ATOM 331 ND1 HIS A 21 -3.490 -9.544 -9.106 1.00 0.00 N ATOM 332 CD2 HIS A 21 -2.995 -7.658 -10.126 1.00 0.00 C ATOM 333 CE1 HIS A 21 -2.959 -9.840 -10.282 1.00 0.00 C ATOM 334 NE2 HIS A 21 -2.652 -8.670 -10.913 1.00 0.00 N ATOM 0 H HIS A 21 -2.961 -7.083 -5.360 1.00 0.00 H new ATOM 0 HA HIS A 21 -2.570 -6.032 -8.110 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -4.148 -8.196 -6.941 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -5.083 -7.124 -7.965 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.874 -6.610 -10.356 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.797 -10.834 -10.673 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -2.229 -8.587 -11.837 1.00 0.00 H new ATOM 342 N LYS A 22 -4.255 -4.220 -7.979 1.00 0.00 N ATOM 343 CA LYS A 22 -5.035 -3.004 -7.821 1.00 0.00 C ATOM 344 C LYS A 22 -6.513 -3.367 -7.673 1.00 0.00 C ATOM 345 O LYS A 22 -6.899 -4.515 -7.890 1.00 0.00 O ATOM 346 CB LYS A 22 -4.751 -2.034 -8.970 1.00 0.00 C ATOM 347 CG LYS A 22 -4.760 -2.761 -10.317 1.00 0.00 C ATOM 348 CD LYS A 22 -5.789 -2.145 -11.266 1.00 0.00 C ATOM 349 CE LYS A 22 -5.488 -2.518 -12.718 1.00 0.00 C ATOM 350 NZ LYS A 22 -4.040 -2.389 -12.997 1.00 0.00 N ATOM 0 H LYS A 22 -3.877 -4.366 -8.915 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.744 -2.479 -6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.500 -1.242 -8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.783 -1.557 -8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.769 -2.711 -10.768 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.988 -3.816 -10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.788 -2.489 -10.998 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.786 -1.060 -11.157 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.812 -3.541 -12.912 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.053 -1.872 -13.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.902 -2.091 -13.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.626 -1.679 -12.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.574 -3.306 -12.844 1.00 0.00 H new ATOM 363 N GLY A 23 -7.301 -2.368 -7.304 1.00 0.00 N ATOM 364 CA GLY A 23 -8.728 -2.567 -7.124 1.00 0.00 C ATOM 365 C GLY A 23 -9.054 -2.922 -5.672 1.00 0.00 C ATOM 366 O GLY A 23 -9.788 -3.874 -5.411 1.00 0.00 O ATOM 0 H GLY A 23 -6.977 -1.417 -7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.264 -1.662 -7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.074 -3.363 -7.783 1.00 0.00 H new ATOM 370 N GLU A 24 -8.493 -2.136 -4.764 1.00 0.00 N ATOM 371 CA GLU A 24 -8.714 -2.355 -3.346 1.00 0.00 C ATOM 372 C GLU A 24 -8.509 -1.053 -2.569 1.00 0.00 C ATOM 373 O GLU A 24 -7.845 -0.137 -3.051 1.00 0.00 O ATOM 374 CB GLU A 24 -7.801 -3.461 -2.812 1.00 0.00 C ATOM 375 CG GLU A 24 -8.576 -4.764 -2.614 1.00 0.00 C ATOM 376 CD GLU A 24 -7.755 -5.967 -3.084 1.00 0.00 C ATOM 377 OE1 GLU A 24 -6.894 -5.824 -3.964 1.00 0.00 O ATOM 378 OE2 GLU A 24 -8.038 -7.082 -2.500 1.00 0.00 O ATOM 0 H GLU A 24 -7.886 -1.347 -4.984 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.745 -2.681 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.978 -3.625 -3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.361 -3.148 -1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.832 -4.883 -1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.514 -4.721 -3.167 1.00 0.00 H new ATOM 386 N LYS A 25 -9.093 -1.013 -1.380 1.00 0.00 N ATOM 387 CA LYS A 25 -8.983 0.163 -0.533 1.00 0.00 C ATOM 388 C LYS A 25 -7.881 -0.062 0.505 1.00 0.00 C ATOM 389 O LYS A 25 -7.757 -1.156 1.056 1.00 0.00 O ATOM 390 CB LYS A 25 -10.341 0.511 0.079 1.00 0.00 C ATOM 391 CG LYS A 25 -11.368 0.828 -1.010 1.00 0.00 C ATOM 392 CD LYS A 25 -12.491 -0.210 -1.023 1.00 0.00 C ATOM 393 CE LYS A 25 -12.244 -1.271 -2.096 1.00 0.00 C ATOM 394 NZ LYS A 25 -13.527 -1.784 -2.624 1.00 0.00 N ATOM 0 H LYS A 25 -9.643 -1.775 -0.984 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.693 1.032 -1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.695 -0.322 0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.235 1.368 0.745 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.787 1.820 -0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.877 0.850 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.562 -0.686 -0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.445 0.284 -1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.654 -0.845 -2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.663 -2.092 -1.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.340 -2.503 -3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.076 -2.209 -1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.068 -1.001 -3.043 1.00 0.00 H new ATOM 407 N PHE A 26 -7.108 0.987 0.738 1.00 0.00 N ATOM 408 CA PHE A 26 -6.020 0.917 1.699 1.00 0.00 C ATOM 409 C PHE A 26 -6.266 1.864 2.876 1.00 0.00 C ATOM 410 O PHE A 26 -7.167 2.699 2.827 1.00 0.00 O ATOM 411 CB PHE A 26 -4.748 1.351 0.968 1.00 0.00 C ATOM 412 CG PHE A 26 -4.297 0.379 -0.124 1.00 0.00 C ATOM 413 CD1 PHE A 26 -4.913 0.384 -1.337 1.00 0.00 C ATOM 414 CD2 PHE A 26 -3.279 -0.490 0.117 1.00 0.00 C ATOM 415 CE1 PHE A 26 -4.493 -0.517 -2.350 1.00 0.00 C ATOM 416 CE2 PHE A 26 -2.859 -1.392 -0.897 1.00 0.00 C ATOM 417 CZ PHE A 26 -3.476 -1.387 -2.109 1.00 0.00 C ATOM 0 H PHE A 26 -7.213 1.891 0.278 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.937 -0.096 2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.914 2.331 0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.944 1.464 1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.722 1.074 -1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.790 -0.494 1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.982 -0.512 -3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.050 -2.081 -0.705 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.158 -2.074 -2.880 1.00 0.00 H new ATOM 427 N GLN A 27 -5.447 1.703 3.904 1.00 0.00 N ATOM 428 CA GLN A 27 -5.564 2.534 5.091 1.00 0.00 C ATOM 429 C GLN A 27 -4.225 3.203 5.406 1.00 0.00 C ATOM 430 O GLN A 27 -3.219 2.522 5.604 1.00 0.00 O ATOM 431 CB GLN A 27 -6.063 1.717 6.285 1.00 0.00 C ATOM 432 CG GLN A 27 -7.116 2.493 7.079 1.00 0.00 C ATOM 433 CD GLN A 27 -6.460 3.370 8.148 1.00 0.00 C ATOM 434 OE1 GLN A 27 -5.690 2.912 8.977 1.00 0.00 O ATOM 435 NE2 GLN A 27 -6.804 4.653 8.081 1.00 0.00 N ATOM 0 H GLN A 27 -4.700 1.010 3.940 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.299 3.314 4.893 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.487 0.776 5.935 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.224 1.466 6.935 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.702 3.115 6.402 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.808 1.795 7.550 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.454 4.970 7.362 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.418 5.320 8.749 1.00 0.00 H new ATOM 444 N ILE A 28 -4.254 4.526 5.441 1.00 0.00 N ATOM 445 CA ILE A 28 -3.054 5.294 5.728 1.00 0.00 C ATOM 446 C ILE A 28 -2.760 5.232 7.228 1.00 0.00 C ATOM 447 O ILE A 28 -3.611 5.579 8.046 1.00 0.00 O ATOM 448 CB ILE A 28 -3.188 6.719 5.187 1.00 0.00 C ATOM 449 CG1 ILE A 28 -1.996 7.580 5.609 1.00 0.00 C ATOM 450 CG2 ILE A 28 -4.521 7.342 5.607 1.00 0.00 C ATOM 451 CD1 ILE A 28 -1.241 8.107 4.386 1.00 0.00 C ATOM 0 H ILE A 28 -5.090 5.087 5.275 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.194 4.862 5.216 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.183 6.672 4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.343 8.417 6.215 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.321 6.993 6.233 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.591 8.355 5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.342 6.741 5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.581 7.374 6.695 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.398 8.716 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.874 7.268 3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.912 8.713 3.777 1.00 0.00 H new ATOM 463 N LEU A 29 -1.553 4.785 7.544 1.00 0.00 N ATOM 464 CA LEU A 29 -1.137 4.671 8.932 1.00 0.00 C ATOM 465 C LEU A 29 0.130 5.502 9.148 1.00 0.00 C ATOM 466 O LEU A 29 0.117 6.478 9.897 1.00 0.00 O ATOM 467 CB LEU A 29 -0.984 3.202 9.326 1.00 0.00 C ATOM 468 CG LEU A 29 -1.723 2.767 10.594 1.00 0.00 C ATOM 469 CD1 LEU A 29 -2.385 1.401 10.402 1.00 0.00 C ATOM 470 CD2 LEU A 29 -0.790 2.787 11.806 1.00 0.00 C ATOM 0 H LEU A 29 -0.850 4.498 6.863 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.902 5.076 9.595 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.332 2.586 8.497 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.077 2.990 9.457 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.519 3.485 10.789 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.903 1.116 11.318 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.101 1.456 9.582 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.623 0.657 10.169 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.340 2.474 12.694 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.043 2.105 11.635 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.407 3.797 11.954 1.00 0.00 H new ATOM 482 N ASN A 30 1.195 5.083 8.480 1.00 0.00 N ATOM 483 CA ASN A 30 2.467 5.776 8.590 1.00 0.00 C ATOM 484 C ASN A 30 2.476 6.972 7.636 1.00 0.00 C ATOM 485 O ASN A 30 1.935 6.896 6.534 1.00 0.00 O ATOM 486 CB ASN A 30 3.629 4.858 8.207 1.00 0.00 C ATOM 487 CG ASN A 30 4.716 4.870 9.284 1.00 0.00 C ATOM 488 OD1 ASN A 30 5.903 4.798 9.005 1.00 0.00 O ATOM 489 ND2 ASN A 30 4.247 4.965 10.524 1.00 0.00 N ATOM 0 H ASN A 30 1.203 4.272 7.861 1.00 0.00 H new ATOM 0 HA ASN A 30 2.587 6.098 9.624 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.263 3.841 8.067 1.00 0.00 H new ATOM 0 HB3 ASN A 30 4.052 5.179 7.255 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.893 4.981 11.314 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.242 5.022 10.686 1.00 0.00 H new ATOM 496 N SER A 31 3.096 8.049 8.095 1.00 0.00 N ATOM 497 CA SER A 31 3.182 9.261 7.296 1.00 0.00 C ATOM 498 C SER A 31 4.273 10.177 7.852 1.00 0.00 C ATOM 499 O SER A 31 4.026 11.352 8.118 1.00 0.00 O ATOM 500 CB SER A 31 1.839 9.994 7.262 1.00 0.00 C ATOM 501 OG SER A 31 1.353 10.154 5.932 1.00 0.00 O ATOM 0 H SER A 31 3.544 8.108 9.010 1.00 0.00 H new ATOM 0 HA SER A 31 3.438 8.981 6.274 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.108 9.440 7.851 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.948 10.973 7.729 1.00 0.00 H new ATOM 0 HG SER A 31 0.494 10.624 5.952 1.00 0.00 H new ATOM 507 N SER A 32 5.458 9.605 8.011 1.00 0.00 N ATOM 508 CA SER A 32 6.588 10.355 8.529 1.00 0.00 C ATOM 509 C SER A 32 7.205 11.207 7.419 1.00 0.00 C ATOM 510 O SER A 32 6.748 12.319 7.156 1.00 0.00 O ATOM 511 CB SER A 32 7.641 9.422 9.129 1.00 0.00 C ATOM 512 OG SER A 32 7.051 8.357 9.871 1.00 0.00 O ATOM 0 H SER A 32 5.659 8.630 7.790 1.00 0.00 H new ATOM 0 HA SER A 32 6.228 11.010 9.323 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.257 9.009 8.330 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.303 9.993 9.779 1.00 0.00 H new ATOM 0 HG SER A 32 7.756 7.783 10.236 1.00 0.00 H new ATOM 518 N GLU A 33 8.235 10.654 6.796 1.00 0.00 N ATOM 519 CA GLU A 33 8.921 11.348 5.719 1.00 0.00 C ATOM 520 C GLU A 33 8.292 10.990 4.371 1.00 0.00 C ATOM 521 O GLU A 33 7.347 11.642 3.930 1.00 0.00 O ATOM 522 CB GLU A 33 10.417 11.033 5.727 1.00 0.00 C ATOM 523 CG GLU A 33 11.250 12.317 5.749 1.00 0.00 C ATOM 524 CD GLU A 33 12.592 12.089 6.446 1.00 0.00 C ATOM 525 OE1 GLU A 33 12.688 12.246 7.672 1.00 0.00 O ATOM 526 OE2 GLU A 33 13.558 11.735 5.668 1.00 0.00 O ATOM 0 H GLU A 33 8.612 9.732 7.017 1.00 0.00 H new ATOM 0 HA GLU A 33 8.809 12.421 5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.659 10.424 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.673 10.445 4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.420 12.662 4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.698 13.104 6.263 1.00 0.00 H new ATOM 534 N GLY A 34 8.841 9.953 3.755 1.00 0.00 N ATOM 535 CA GLY A 34 8.345 9.500 2.467 1.00 0.00 C ATOM 536 C GLY A 34 9.339 8.545 1.802 1.00 0.00 C ATOM 537 O GLY A 34 10.310 8.982 1.188 1.00 0.00 O ATOM 0 H GLY A 34 9.624 9.414 4.124 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.386 8.999 2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.170 10.358 1.818 1.00 0.00 H new ATOM 541 N ASP A 35 9.060 7.258 1.948 1.00 0.00 N ATOM 542 CA ASP A 35 9.917 6.236 1.370 1.00 0.00 C ATOM 543 C ASP A 35 9.280 4.862 1.581 1.00 0.00 C ATOM 544 O ASP A 35 9.124 4.093 0.633 1.00 0.00 O ATOM 545 CB ASP A 35 11.293 6.228 2.039 1.00 0.00 C ATOM 546 CG ASP A 35 12.478 6.400 1.087 1.00 0.00 C ATOM 547 OD1 ASP A 35 12.385 6.091 -0.111 1.00 0.00 O ATOM 548 OD2 ASP A 35 13.546 6.881 1.627 1.00 0.00 O ATOM 0 H ASP A 35 8.253 6.899 2.458 1.00 0.00 H new ATOM 0 HA ASP A 35 10.034 6.455 0.309 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.324 7.026 2.781 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.413 5.288 2.577 1.00 0.00 H new ATOM 554 N TRP A 36 8.930 4.593 2.830 1.00 0.00 N ATOM 555 CA TRP A 36 8.312 3.325 3.178 1.00 0.00 C ATOM 556 C TRP A 36 7.036 3.620 3.969 1.00 0.00 C ATOM 557 O TRP A 36 7.055 4.412 4.910 1.00 0.00 O ATOM 558 CB TRP A 36 9.293 2.428 3.936 1.00 0.00 C ATOM 559 CG TRP A 36 10.079 1.468 3.041 1.00 0.00 C ATOM 560 CD1 TRP A 36 9.645 0.804 1.961 1.00 0.00 C ATOM 561 CD2 TRP A 36 11.463 1.090 3.193 1.00 0.00 C ATOM 562 NE1 TRP A 36 10.644 0.029 1.408 1.00 0.00 N ATOM 563 CE2 TRP A 36 11.785 0.208 2.182 1.00 0.00 C ATOM 564 CE3 TRP A 36 12.413 1.481 4.154 1.00 0.00 C ATOM 565 CZ2 TRP A 36 13.057 -0.358 2.034 1.00 0.00 C ATOM 566 CZ3 TRP A 36 13.680 0.906 3.992 1.00 0.00 C ATOM 567 CH2 TRP A 36 14.019 0.016 2.979 1.00 0.00 C ATOM 0 H TRP A 36 9.063 5.232 3.614 1.00 0.00 H new ATOM 0 HA TRP A 36 8.042 2.768 2.281 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.996 3.057 4.482 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.742 1.849 4.676 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.639 0.867 1.572 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.561 -0.566 0.583 1.00 0.00 H new ATOM 0 HE3 TRP A 36 12.184 2.170 4.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 13.284 -1.046 1.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 14.447 1.173 4.704 1.00 0.00 H new ATOM 0 HH2 TRP A 36 15.020 -0.385 2.922 1.00 0.00 H new ATOM 578 N TRP A 37 5.960 2.968 3.559 1.00 0.00 N ATOM 579 CA TRP A 37 4.677 3.151 4.218 1.00 0.00 C ATOM 580 C TRP A 37 4.063 1.769 4.449 1.00 0.00 C ATOM 581 O TRP A 37 4.513 0.781 3.870 1.00 0.00 O ATOM 582 CB TRP A 37 3.772 4.080 3.407 1.00 0.00 C ATOM 583 CG TRP A 37 4.160 5.557 3.494 1.00 0.00 C ATOM 584 CD1 TRP A 37 4.699 6.210 4.533 1.00 0.00 C ATOM 585 CD2 TRP A 37 4.015 6.546 2.452 1.00 0.00 C ATOM 586 NE1 TRP A 37 4.911 7.541 4.239 1.00 0.00 N ATOM 587 CE2 TRP A 37 4.483 7.753 2.934 1.00 0.00 C ATOM 588 CE3 TRP A 37 3.507 6.426 1.147 1.00 0.00 C ATOM 589 CZ2 TRP A 37 4.488 8.931 2.177 1.00 0.00 C ATOM 590 CZ3 TRP A 37 3.519 7.612 0.403 1.00 0.00 C ATOM 591 CH2 TRP A 37 3.987 8.834 0.874 1.00 0.00 C ATOM 0 H TRP A 37 5.949 2.312 2.778 1.00 0.00 H new ATOM 0 HA TRP A 37 4.805 3.640 5.183 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.793 3.770 2.362 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.745 3.964 3.753 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.937 5.752 5.481 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.309 8.241 4.865 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.137 5.493 0.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.858 9.863 2.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.138 7.575 -0.607 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.964 9.705 0.236 1.00 0.00 H new ATOM 602 N GLU A 38 3.044 1.743 5.295 1.00 0.00 N ATOM 603 CA GLU A 38 2.362 0.499 5.609 1.00 0.00 C ATOM 604 C GLU A 38 1.345 0.160 4.519 1.00 0.00 C ATOM 605 O GLU A 38 1.013 1.007 3.690 1.00 0.00 O ATOM 606 CB GLU A 38 1.691 0.573 6.982 1.00 0.00 C ATOM 607 CG GLU A 38 1.924 -0.715 7.776 1.00 0.00 C ATOM 608 CD GLU A 38 1.409 -0.574 9.210 1.00 0.00 C ATOM 609 OE1 GLU A 38 0.236 -0.870 9.479 1.00 0.00 O ATOM 610 OE2 GLU A 38 2.277 -0.143 10.061 1.00 0.00 O ATOM 0 H GLU A 38 2.674 2.564 5.773 1.00 0.00 H new ATOM 0 HA GLU A 38 3.104 -0.299 5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.085 1.424 7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.621 0.740 6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.419 -1.546 7.284 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.988 -0.951 7.789 1.00 0.00 H new ATOM 618 N ALA A 39 0.876 -1.078 4.554 1.00 0.00 N ATOM 619 CA ALA A 39 -0.098 -1.538 3.579 1.00 0.00 C ATOM 620 C ALA A 39 -1.073 -2.504 4.255 1.00 0.00 C ATOM 621 O ALA A 39 -0.878 -3.717 4.217 1.00 0.00 O ATOM 622 CB ALA A 39 0.629 -2.178 2.394 1.00 0.00 C ATOM 0 H ALA A 39 1.153 -1.778 5.243 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.679 -0.701 3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.102 -2.523 1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.287 -1.443 1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.220 -3.024 2.744 1.00 0.00 H new ATOM 628 N ARG A 40 -2.103 -1.928 4.858 1.00 0.00 N ATOM 629 CA ARG A 40 -3.109 -2.723 5.542 1.00 0.00 C ATOM 630 C ARG A 40 -4.362 -2.854 4.673 1.00 0.00 C ATOM 631 O ARG A 40 -5.127 -1.901 4.531 1.00 0.00 O ATOM 632 CB ARG A 40 -3.491 -2.093 6.883 1.00 0.00 C ATOM 633 CG ARG A 40 -3.962 -3.158 7.875 1.00 0.00 C ATOM 634 CD ARG A 40 -3.932 -2.625 9.308 1.00 0.00 C ATOM 635 NE ARG A 40 -3.949 -3.751 10.269 1.00 0.00 N ATOM 636 CZ ARG A 40 -3.141 -3.840 11.346 1.00 0.00 C ATOM 637 NH1 ARG A 40 -2.244 -2.866 11.612 1.00 0.00 N ATOM 638 NH2 ARG A 40 -3.242 -4.891 12.137 1.00 0.00 N ATOM 0 H ARG A 40 -2.262 -0.921 4.887 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.684 -3.710 5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.634 -1.560 7.296 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.281 -1.357 6.731 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.974 -3.473 7.622 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.325 -4.039 7.798 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.038 -2.020 9.461 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.790 -1.976 9.481 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.614 -4.507 10.107 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.174 -2.056 10.997 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.637 -2.941 12.428 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.924 -5.621 11.930 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.639 -4.973 12.955 1.00 0.00 H new ATOM 651 N SER A 41 -4.535 -4.043 4.114 1.00 0.00 N ATOM 652 CA SER A 41 -5.682 -4.311 3.264 1.00 0.00 C ATOM 653 C SER A 41 -6.785 -4.994 4.074 1.00 0.00 C ATOM 654 O SER A 41 -6.581 -6.077 4.619 1.00 0.00 O ATOM 655 CB SER A 41 -5.287 -5.179 2.066 1.00 0.00 C ATOM 656 OG SER A 41 -4.056 -4.759 1.485 1.00 0.00 O ATOM 0 H SER A 41 -3.899 -4.832 4.233 1.00 0.00 H new ATOM 0 HA SER A 41 -6.056 -3.361 2.883 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.202 -6.218 2.384 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.075 -5.139 1.314 1.00 0.00 H new ATOM 0 HG SER A 41 -3.587 -5.536 1.114 1.00 0.00 H new ATOM 662 N LEU A 42 -7.931 -4.332 4.127 1.00 0.00 N ATOM 663 CA LEU A 42 -9.068 -4.861 4.861 1.00 0.00 C ATOM 664 C LEU A 42 -9.944 -5.683 3.914 1.00 0.00 C ATOM 665 O LEU A 42 -11.026 -6.128 4.292 1.00 0.00 O ATOM 666 CB LEU A 42 -9.820 -3.733 5.570 1.00 0.00 C ATOM 667 CG LEU A 42 -8.984 -2.515 5.969 1.00 0.00 C ATOM 668 CD1 LEU A 42 -9.877 -1.312 6.275 1.00 0.00 C ATOM 669 CD2 LEU A 42 -8.052 -2.849 7.136 1.00 0.00 C ATOM 0 H LEU A 42 -8.097 -3.434 3.673 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.732 -5.534 5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.628 -3.397 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.283 -4.141 6.469 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.355 -2.241 5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.257 -0.461 6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.462 -1.059 5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.549 -1.558 7.097 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.469 -1.967 7.400 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.644 -3.164 7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.378 -3.655 6.845 1.00 0.00 H new ATOM 681 N THR A 43 -9.444 -5.860 2.700 1.00 0.00 N ATOM 682 CA THR A 43 -10.166 -6.621 1.696 1.00 0.00 C ATOM 683 C THR A 43 -9.720 -8.084 1.711 1.00 0.00 C ATOM 684 O THR A 43 -10.545 -8.987 1.838 1.00 0.00 O ATOM 685 CB THR A 43 -9.957 -5.936 0.343 1.00 0.00 C ATOM 686 OG1 THR A 43 -8.601 -5.500 0.380 1.00 0.00 O ATOM 687 CG2 THR A 43 -10.762 -4.640 0.213 1.00 0.00 C ATOM 0 H THR A 43 -8.546 -5.489 2.389 1.00 0.00 H new ATOM 0 HA THR A 43 -11.235 -6.638 1.907 1.00 0.00 H new ATOM 0 HB THR A 43 -10.238 -6.620 -0.458 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.573 -4.522 0.441 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.578 -4.194 -0.764 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.825 -4.860 0.318 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.457 -3.942 0.993 1.00 0.00 H new ATOM 695 N THR A 44 -8.415 -8.272 1.578 1.00 0.00 N ATOM 696 CA THR A 44 -7.849 -9.611 1.576 1.00 0.00 C ATOM 697 C THR A 44 -7.416 -10.009 2.987 1.00 0.00 C ATOM 698 O THR A 44 -7.974 -10.935 3.574 1.00 0.00 O ATOM 699 CB THR A 44 -6.707 -9.638 0.559 1.00 0.00 C ATOM 700 OG1 THR A 44 -7.336 -10.019 -0.662 1.00 0.00 O ATOM 701 CG2 THR A 44 -5.708 -10.765 0.830 1.00 0.00 C ATOM 0 H THR A 44 -7.734 -7.520 1.471 1.00 0.00 H new ATOM 0 HA THR A 44 -8.589 -10.354 1.276 1.00 0.00 H new ATOM 0 HB THR A 44 -6.187 -8.680 0.573 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.666 -10.059 -1.376 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.918 -10.739 0.080 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.272 -10.634 1.820 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.221 -11.725 0.783 1.00 0.00 H new ATOM 709 N GLY A 45 -6.424 -9.291 3.493 1.00 0.00 N ATOM 710 CA GLY A 45 -5.909 -9.557 4.825 1.00 0.00 C ATOM 711 C GLY A 45 -4.420 -9.906 4.777 1.00 0.00 C ATOM 712 O GLY A 45 -4.007 -10.950 5.278 1.00 0.00 O ATOM 0 H GLY A 45 -5.963 -8.524 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.061 -8.683 5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.465 -10.379 5.276 1.00 0.00 H new ATOM 716 N GLU A 46 -3.654 -9.011 4.171 1.00 0.00 N ATOM 717 CA GLU A 46 -2.220 -9.210 4.052 1.00 0.00 C ATOM 718 C GLU A 46 -1.482 -7.884 4.241 1.00 0.00 C ATOM 719 O GLU A 46 -1.981 -6.829 3.850 1.00 0.00 O ATOM 720 CB GLU A 46 -1.865 -9.848 2.707 1.00 0.00 C ATOM 721 CG GLU A 46 -1.624 -11.351 2.860 1.00 0.00 C ATOM 722 CD GLU A 46 -1.401 -12.011 1.497 1.00 0.00 C ATOM 723 OE1 GLU A 46 -2.150 -11.740 0.547 1.00 0.00 O ATOM 724 OE2 GLU A 46 -0.407 -12.833 1.446 1.00 0.00 O ATOM 0 H GLU A 46 -4.000 -8.145 3.757 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.902 -9.895 4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.672 -9.676 1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.973 -9.373 2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.756 -11.521 3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.478 -11.812 3.356 1.00 0.00 H new ATOM 732 N THR A 47 -0.305 -7.978 4.841 1.00 0.00 N ATOM 733 CA THR A 47 0.508 -6.799 5.088 1.00 0.00 C ATOM 734 C THR A 47 1.783 -6.843 4.244 1.00 0.00 C ATOM 735 O THR A 47 2.020 -7.811 3.522 1.00 0.00 O ATOM 736 CB THR A 47 0.778 -6.717 6.592 1.00 0.00 C ATOM 737 OG1 THR A 47 1.250 -5.387 6.787 1.00 0.00 O ATOM 738 CG2 THR A 47 1.952 -7.596 7.025 1.00 0.00 C ATOM 0 H THR A 47 0.106 -8.854 5.164 1.00 0.00 H new ATOM 0 HA THR A 47 -0.013 -5.890 4.786 1.00 0.00 H new ATOM 0 HB THR A 47 -0.118 -7.013 7.138 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.448 -5.246 7.736 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.101 -7.501 8.101 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.738 -8.636 6.779 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.856 -7.279 6.504 1.00 0.00 H new ATOM 746 N GLY A 48 2.570 -5.784 4.362 1.00 0.00 N ATOM 747 CA GLY A 48 3.815 -5.690 3.618 1.00 0.00 C ATOM 748 C GLY A 48 4.279 -4.236 3.509 1.00 0.00 C ATOM 749 O GLY A 48 3.568 -3.321 3.921 1.00 0.00 O ATOM 0 H GLY A 48 2.370 -4.983 4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.584 -6.285 4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.679 -6.108 2.621 1.00 0.00 H new ATOM 753 N TYR A 49 5.470 -4.070 2.953 1.00 0.00 N ATOM 754 CA TYR A 49 6.039 -2.744 2.786 1.00 0.00 C ATOM 755 C TYR A 49 6.229 -2.411 1.304 1.00 0.00 C ATOM 756 O TYR A 49 6.974 -3.093 0.602 1.00 0.00 O ATOM 757 CB TYR A 49 7.408 -2.782 3.466 1.00 0.00 C ATOM 758 CG TYR A 49 7.351 -2.625 4.987 1.00 0.00 C ATOM 759 CD1 TYR A 49 6.979 -1.419 5.543 1.00 0.00 C ATOM 760 CD2 TYR A 49 7.673 -3.691 5.803 1.00 0.00 C ATOM 761 CE1 TYR A 49 6.925 -1.272 6.974 1.00 0.00 C ATOM 762 CE2 TYR A 49 7.620 -3.544 7.235 1.00 0.00 C ATOM 763 CZ TYR A 49 7.248 -2.341 7.750 1.00 0.00 C ATOM 764 OH TYR A 49 7.198 -2.202 9.102 1.00 0.00 O ATOM 0 H TYR A 49 6.056 -4.832 2.612 1.00 0.00 H new ATOM 0 HA TYR A 49 5.380 -1.988 3.214 1.00 0.00 H new ATOM 0 HB2 TYR A 49 7.895 -3.727 3.226 1.00 0.00 H new ATOM 0 HB3 TYR A 49 8.030 -1.989 3.052 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.728 -0.585 4.905 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.965 -4.635 5.368 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.634 -0.333 7.422 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.870 -4.370 7.885 1.00 0.00 H new ATOM 0 HH TYR A 49 7.453 -3.047 9.527 1.00 0.00 H new ATOM 774 N ILE A 50 5.541 -1.364 0.872 1.00 0.00 N ATOM 775 CA ILE A 50 5.624 -0.934 -0.513 1.00 0.00 C ATOM 776 C ILE A 50 5.373 0.573 -0.590 1.00 0.00 C ATOM 777 O ILE A 50 4.517 1.100 0.117 1.00 0.00 O ATOM 778 CB ILE A 50 4.681 -1.760 -1.389 1.00 0.00 C ATOM 779 CG1 ILE A 50 3.446 -2.202 -0.600 1.00 0.00 C ATOM 780 CG2 ILE A 50 5.414 -2.946 -2.018 1.00 0.00 C ATOM 781 CD1 ILE A 50 2.285 -2.536 -1.539 1.00 0.00 C ATOM 0 H ILE A 50 4.924 -0.801 1.457 1.00 0.00 H new ATOM 0 HA ILE A 50 6.624 -1.112 -0.907 1.00 0.00 H new ATOM 0 HB ILE A 50 4.332 -1.128 -2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.690 -3.074 0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.147 -1.410 0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.720 -3.516 -2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.234 -2.581 -2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.811 -3.587 -1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.421 -2.847 -0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.027 -1.655 -2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.579 -3.344 -2.208 1.00 0.00 H new ATOM 793 N PRO A 51 6.156 1.242 -1.480 1.00 0.00 N ATOM 794 CA PRO A 51 6.027 2.678 -1.659 1.00 0.00 C ATOM 795 C PRO A 51 4.657 3.038 -2.239 1.00 0.00 C ATOM 796 O PRO A 51 4.421 2.866 -3.434 1.00 0.00 O ATOM 797 CB PRO A 51 7.179 3.066 -2.571 1.00 0.00 C ATOM 798 CG PRO A 51 7.631 1.779 -3.242 1.00 0.00 C ATOM 799 CD PRO A 51 7.009 0.616 -2.485 1.00 0.00 C ATOM 0 HA PRO A 51 6.080 3.225 -0.718 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.861 3.801 -3.310 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.993 3.517 -2.003 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.321 1.764 -4.287 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.718 1.704 -3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.432 -0.026 -3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.773 -0.009 -2.022 1.00 0.00 H new ATOM 807 N SER A 52 3.790 3.529 -1.366 1.00 0.00 N ATOM 808 CA SER A 52 2.451 3.913 -1.776 1.00 0.00 C ATOM 809 C SER A 52 2.399 5.418 -2.051 1.00 0.00 C ATOM 810 O SER A 52 1.451 6.092 -1.656 1.00 0.00 O ATOM 811 CB SER A 52 1.418 3.532 -0.714 1.00 0.00 C ATOM 812 OG SER A 52 0.235 2.987 -1.291 1.00 0.00 O ATOM 0 H SER A 52 3.989 3.670 -0.376 1.00 0.00 H new ATOM 0 HA SER A 52 2.207 3.374 -2.691 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.854 2.806 -0.028 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.162 4.413 -0.125 1.00 0.00 H new ATOM 0 HG SER A 52 -0.399 2.755 -0.580 1.00 0.00 H new ATOM 818 N ASN A 53 3.433 5.899 -2.727 1.00 0.00 N ATOM 819 CA ASN A 53 3.517 7.311 -3.058 1.00 0.00 C ATOM 820 C ASN A 53 2.765 7.569 -4.365 1.00 0.00 C ATOM 821 O ASN A 53 2.688 8.707 -4.828 1.00 0.00 O ATOM 822 CB ASN A 53 4.971 7.745 -3.255 1.00 0.00 C ATOM 823 CG ASN A 53 5.286 8.997 -2.435 1.00 0.00 C ATOM 824 OD1 ASN A 53 4.695 10.050 -2.608 1.00 0.00 O ATOM 825 ND2 ASN A 53 6.249 8.824 -1.533 1.00 0.00 N ATOM 0 H ASN A 53 4.218 5.336 -3.054 1.00 0.00 H new ATOM 0 HA ASN A 53 3.080 7.877 -2.235 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.639 6.936 -2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.155 7.942 -4.311 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.533 9.600 -0.935 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.703 7.916 -1.440 1.00 0.00 H new ATOM 832 N TYR A 54 2.229 6.494 -4.925 1.00 0.00 N ATOM 833 CA TYR A 54 1.485 6.591 -6.169 1.00 0.00 C ATOM 834 C TYR A 54 -0.018 6.687 -5.904 1.00 0.00 C ATOM 835 O TYR A 54 -0.827 6.356 -6.770 1.00 0.00 O ATOM 836 CB TYR A 54 1.775 5.298 -6.934 1.00 0.00 C ATOM 837 CG TYR A 54 3.244 5.121 -7.323 1.00 0.00 C ATOM 838 CD1 TYR A 54 3.944 6.175 -7.875 1.00 0.00 C ATOM 839 CD2 TYR A 54 3.870 3.908 -7.123 1.00 0.00 C ATOM 840 CE1 TYR A 54 5.327 6.009 -8.241 1.00 0.00 C ATOM 841 CE2 TYR A 54 5.253 3.741 -7.489 1.00 0.00 C ATOM 842 CZ TYR A 54 5.913 4.800 -8.031 1.00 0.00 C ATOM 843 OH TYR A 54 7.219 4.642 -8.376 1.00 0.00 O ATOM 0 H TYR A 54 2.295 5.552 -4.540 1.00 0.00 H new ATOM 0 HA TYR A 54 1.780 7.481 -6.724 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.467 4.450 -6.323 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.166 5.278 -7.838 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.454 7.125 -8.032 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.323 3.083 -6.692 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.886 6.826 -8.672 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.755 2.797 -7.337 1.00 0.00 H new ATOM 0 HH TYR A 54 7.504 3.728 -8.168 1.00 0.00 H new ATOM 853 N VAL A 55 -0.347 7.139 -4.703 1.00 0.00 N ATOM 854 CA VAL A 55 -1.740 7.282 -4.312 1.00 0.00 C ATOM 855 C VAL A 55 -2.290 8.593 -4.876 1.00 0.00 C ATOM 856 O VAL A 55 -1.529 9.446 -5.329 1.00 0.00 O ATOM 857 CB VAL A 55 -1.870 7.183 -2.792 1.00 0.00 C ATOM 858 CG1 VAL A 55 -1.602 5.755 -2.310 1.00 0.00 C ATOM 859 CG2 VAL A 55 -0.940 8.179 -2.095 1.00 0.00 C ATOM 0 H VAL A 55 0.327 7.411 -3.987 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.339 6.472 -4.728 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.896 7.440 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.701 5.713 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.322 5.076 -2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.592 5.459 -2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.053 8.087 -1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.093 7.967 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.197 9.193 -2.402 1.00 0.00 H new ATOM 869 N ALA A 56 -3.609 8.713 -4.827 1.00 0.00 N ATOM 870 CA ALA A 56 -4.271 9.907 -5.326 1.00 0.00 C ATOM 871 C ALA A 56 -5.400 10.297 -4.370 1.00 0.00 C ATOM 872 O ALA A 56 -5.897 9.461 -3.617 1.00 0.00 O ATOM 873 CB ALA A 56 -4.773 9.655 -6.750 1.00 0.00 C ATOM 0 H ALA A 56 -4.237 8.003 -4.450 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.573 10.743 -5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.270 10.550 -7.125 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.929 9.411 -7.395 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.478 8.824 -6.745 1.00 0.00 H new ATOM 879 N PRO A 57 -5.781 11.602 -4.432 1.00 0.00 N ATOM 880 CA PRO A 57 -6.842 12.112 -3.581 1.00 0.00 C ATOM 881 C PRO A 57 -8.217 11.813 -4.180 1.00 0.00 C ATOM 882 O PRO A 57 -8.582 12.371 -5.214 1.00 0.00 O ATOM 883 CB PRO A 57 -6.560 13.600 -3.453 1.00 0.00 C ATOM 884 CG PRO A 57 -5.631 13.950 -4.603 1.00 0.00 C ATOM 885 CD PRO A 57 -5.094 12.650 -5.180 1.00 0.00 C ATOM 0 HA PRO A 57 -6.861 11.637 -2.600 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.483 14.178 -3.507 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.096 13.828 -2.493 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.165 14.515 -5.367 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.813 14.580 -4.255 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.301 12.575 -6.248 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.013 12.579 -5.059 1.00 0.00 H new ATOM 893 N VAL A 58 -8.943 10.933 -3.505 1.00 0.00 N ATOM 894 CA VAL A 58 -10.270 10.553 -3.958 1.00 0.00 C ATOM 895 C VAL A 58 -11.304 11.500 -3.345 1.00 0.00 C ATOM 896 O VAL A 58 -11.187 11.883 -2.181 1.00 0.00 O ATOM 897 CB VAL A 58 -10.535 9.084 -3.628 1.00 0.00 C ATOM 898 CG1 VAL A 58 -11.558 8.480 -4.592 1.00 0.00 C ATOM 899 CG2 VAL A 58 -9.235 8.277 -3.632 1.00 0.00 C ATOM 0 H VAL A 58 -8.637 10.473 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.345 10.647 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.955 9.038 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -11.728 7.435 -4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -12.497 9.029 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.180 8.545 -5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.452 7.236 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.774 8.335 -4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.552 8.684 -2.887 1.00 0.00 H new ATOM 909 N ASP A 59 -12.293 11.850 -4.153 1.00 0.00 N ATOM 910 CA ASP A 59 -13.347 12.744 -3.705 1.00 0.00 C ATOM 911 C ASP A 59 -14.505 11.918 -3.142 1.00 0.00 C ATOM 912 O ASP A 59 -14.508 11.570 -1.962 1.00 0.00 O ATOM 913 CB ASP A 59 -13.885 13.586 -4.863 1.00 0.00 C ATOM 914 CG ASP A 59 -13.281 14.987 -4.980 1.00 0.00 C ATOM 915 OD1 ASP A 59 -13.502 15.697 -5.971 1.00 0.00 O ATOM 916 OD2 ASP A 59 -12.545 15.349 -3.983 1.00 0.00 O ATOM 0 H ASP A 59 -12.387 11.530 -5.117 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.929 13.404 -2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.706 13.051 -5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.965 13.681 -4.752 1.00 0.00 H new TER 922 ASP A 59