USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 510 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 26 ASN : amide:sc= -0.146! C(o=1.1!,f=-8.6!) USER MOD Set 1.2: A 66 TYR OH : rot -128:sc= 1.25 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.114 F(o=-1.1,f=-0.11) USER MOD Single : A 18 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.15) USER MOD Single : A 21 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 22 THR OG1 : rot 16:sc= 0.198 USER MOD Single : A 23 THR OG1 : rot 87:sc= 1.29 USER MOD Single : A 24 TYR OH : rot 30:sc= -0.502 USER MOD Single : A 25 SER OG : rot -27:sc= 0.646 USER MOD Single : A 28 THR OG1 : rot -42:sc= -0.87! USER MOD Single : A 33 GLN : amide:sc= -0.622 K(o=-0.62,f=-4.9!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.0328 X(o=-0.033,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc=0.000187 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.33) USER MOD Single : A 64 ASN : amide:sc=-0.00254 K(o=-0.0025,f=-1.5) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0247 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 10.830 4.487 5.041 1.00 0.00 N ATOM 2 CA GLY A 10 9.499 4.940 5.357 1.00 0.00 C ATOM 3 C GLY A 10 8.747 5.353 4.109 1.00 0.00 C ATOM 4 O GLY A 10 7.798 4.689 3.718 1.00 0.00 O ATOM 0 HA2 GLY A 10 8.954 4.146 5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.553 5.782 6.047 1.00 0.00 H new ATOM 8 N PRO A 11 9.138 6.449 3.449 1.00 0.00 N ATOM 9 CA PRO A 11 8.535 6.828 2.183 1.00 0.00 C ATOM 10 C PRO A 11 9.003 5.909 1.071 1.00 0.00 C ATOM 11 O PRO A 11 10.192 5.627 0.938 1.00 0.00 O ATOM 12 CB PRO A 11 9.016 8.254 1.929 1.00 0.00 C ATOM 13 CG PRO A 11 9.775 8.665 3.156 1.00 0.00 C ATOM 14 CD PRO A 11 10.180 7.397 3.860 1.00 0.00 C ATOM 0 HA PRO A 11 7.448 6.757 2.212 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.652 8.299 1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.174 8.923 1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.651 9.256 2.889 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.156 9.286 3.804 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.172 7.064 3.555 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.206 7.526 4.942 1.00 0.00 H new ATOM 22 N PHE A 12 8.065 5.442 0.285 1.00 0.00 N ATOM 23 CA PHE A 12 8.366 4.444 -0.733 1.00 0.00 C ATOM 24 C PHE A 12 8.394 5.033 -2.132 1.00 0.00 C ATOM 25 O PHE A 12 8.348 6.246 -2.323 1.00 0.00 O ATOM 26 CB PHE A 12 7.373 3.276 -0.664 1.00 0.00 C ATOM 27 CG PHE A 12 5.915 3.665 -0.791 1.00 0.00 C ATOM 28 CD1 PHE A 12 5.345 3.899 -2.036 1.00 0.00 C ATOM 29 CD2 PHE A 12 5.109 3.771 0.335 1.00 0.00 C ATOM 30 CE1 PHE A 12 4.008 4.235 -2.151 1.00 0.00 C ATOM 31 CE2 PHE A 12 3.770 4.108 0.218 1.00 0.00 C ATOM 32 CZ PHE A 12 3.224 4.339 -1.024 1.00 0.00 C ATOM 0 H PHE A 12 7.087 5.730 0.323 1.00 0.00 H new ATOM 0 HA PHE A 12 9.367 4.070 -0.520 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.614 2.567 -1.456 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.513 2.756 0.283 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.953 3.818 -2.925 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.530 3.589 1.313 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.579 4.416 -3.125 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.155 4.189 1.102 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.180 4.602 -1.115 1.00 0.00 H new ATOM 42 N THR A 13 8.491 4.150 -3.104 1.00 0.00 N ATOM 43 CA THR A 13 8.524 4.536 -4.495 1.00 0.00 C ATOM 44 C THR A 13 7.404 3.823 -5.239 1.00 0.00 C ATOM 45 O THR A 13 6.938 2.775 -4.786 1.00 0.00 O ATOM 46 CB THR A 13 9.880 4.164 -5.113 1.00 0.00 C ATOM 47 OG1 THR A 13 10.878 4.095 -4.083 1.00 0.00 O ATOM 48 CG2 THR A 13 10.297 5.188 -6.146 1.00 0.00 C ATOM 0 H THR A 13 8.549 3.143 -2.949 1.00 0.00 H new ATOM 0 HA THR A 13 8.387 5.614 -4.575 1.00 0.00 H new ATOM 0 HB THR A 13 9.782 3.194 -5.600 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.742 3.856 -4.480 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.260 4.905 -6.571 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.549 5.231 -6.938 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.382 6.167 -5.674 1.00 0.00 H new ATOM 56 N ARG A 14 6.967 4.378 -6.363 1.00 0.00 N ATOM 57 CA ARG A 14 5.883 3.776 -7.131 1.00 0.00 C ATOM 58 C ARG A 14 6.280 2.392 -7.608 1.00 0.00 C ATOM 59 O ARG A 14 5.533 1.428 -7.450 1.00 0.00 O ATOM 60 CB ARG A 14 5.515 4.640 -8.331 1.00 0.00 C ATOM 61 CG ARG A 14 4.258 4.159 -9.036 1.00 0.00 C ATOM 62 CD ARG A 14 3.793 5.122 -10.110 1.00 0.00 C ATOM 63 NE ARG A 14 2.703 4.546 -10.891 1.00 0.00 N ATOM 64 CZ ARG A 14 1.474 5.056 -10.969 1.00 0.00 C ATOM 65 NH1 ARG A 14 1.149 6.166 -10.313 1.00 0.00 N ATOM 66 NH2 ARG A 14 0.563 4.436 -11.700 1.00 0.00 N ATOM 0 H ARG A 14 7.343 5.238 -6.761 1.00 0.00 H new ATOM 0 HA ARG A 14 5.015 3.699 -6.477 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.371 5.669 -8.002 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.344 4.645 -9.038 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.447 3.183 -9.484 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.462 4.025 -8.303 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.463 6.054 -9.650 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.626 5.369 -10.768 1.00 0.00 H new ATOM 0 HE ARG A 14 2.895 3.692 -11.415 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.845 6.641 -9.739 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.204 6.542 -10.384 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.805 3.578 -12.196 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.381 4.816 -11.768 1.00 0.00 H new ATOM 80 N ARG A 15 7.460 2.314 -8.198 1.00 0.00 N ATOM 81 CA ARG A 15 8.031 1.044 -8.630 1.00 0.00 C ATOM 82 C ARG A 15 8.036 0.025 -7.492 1.00 0.00 C ATOM 83 O ARG A 15 7.615 -1.121 -7.668 1.00 0.00 O ATOM 84 CB ARG A 15 9.451 1.257 -9.129 1.00 0.00 C ATOM 85 CG ARG A 15 9.534 2.048 -10.418 1.00 0.00 C ATOM 86 CD ARG A 15 10.969 2.165 -10.902 1.00 0.00 C ATOM 87 NE ARG A 15 11.575 0.855 -11.164 1.00 0.00 N ATOM 88 CZ ARG A 15 12.065 0.488 -12.348 1.00 0.00 C ATOM 89 NH1 ARG A 15 11.965 1.302 -13.391 1.00 0.00 N ATOM 90 NH2 ARG A 15 12.657 -0.692 -12.489 1.00 0.00 N ATOM 0 H ARG A 15 8.049 3.124 -8.392 1.00 0.00 H new ATOM 0 HA ARG A 15 7.412 0.654 -9.438 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.023 1.774 -8.359 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.923 0.286 -9.278 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.928 1.564 -11.184 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.118 3.043 -10.264 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.996 2.764 -11.812 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.561 2.694 -10.155 1.00 0.00 H new ATOM 0 HE ARG A 15 11.624 0.186 -10.395 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.513 2.210 -13.288 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.341 1.019 -14.296 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.738 -1.321 -11.690 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.031 -0.970 -13.396 1.00 0.00 H new ATOM 104 N GLN A 16 8.510 0.457 -6.324 1.00 0.00 N ATOM 105 CA GLN A 16 8.514 -0.386 -5.135 1.00 0.00 C ATOM 106 C GLN A 16 7.101 -0.843 -4.805 1.00 0.00 C ATOM 107 O GLN A 16 6.863 -2.026 -4.590 1.00 0.00 O ATOM 108 CB GLN A 16 9.100 0.365 -3.935 1.00 0.00 C ATOM 109 CG GLN A 16 10.586 0.668 -4.060 1.00 0.00 C ATOM 110 CD GLN A 16 11.454 -0.579 -4.089 1.00 0.00 C ATOM 111 OE1 GLN A 16 11.003 -1.643 -3.437 1.00 0.00 O flip ATOM 112 NE2 GLN A 16 12.527 -0.584 -4.689 1.00 0.00 N flip ATOM 0 H GLN A 16 8.897 1.389 -6.178 1.00 0.00 H new ATOM 0 HA GLN A 16 9.136 -1.256 -5.344 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.558 1.302 -3.806 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.935 -0.225 -3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.757 1.242 -4.970 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.893 1.296 -3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.841 0.253 -5.179 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.103 -1.426 -4.697 1.00 0.00 H new ATOM 121 N ALA A 17 6.172 0.109 -4.786 1.00 0.00 N ATOM 122 CA ALA A 17 4.773 -0.171 -4.472 1.00 0.00 C ATOM 123 C ALA A 17 4.203 -1.246 -5.391 1.00 0.00 C ATOM 124 O ALA A 17 3.559 -2.188 -4.935 1.00 0.00 O ATOM 125 CB ALA A 17 3.949 1.102 -4.583 1.00 0.00 C ATOM 0 H ALA A 17 6.365 1.090 -4.986 1.00 0.00 H new ATOM 0 HA ALA A 17 4.725 -0.543 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.908 0.883 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.331 1.845 -3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.017 1.492 -5.599 1.00 0.00 H new ATOM 131 N GLN A 18 4.469 -1.107 -6.684 1.00 0.00 N ATOM 132 CA GLN A 18 3.977 -2.039 -7.687 1.00 0.00 C ATOM 133 C GLN A 18 4.415 -3.467 -7.386 1.00 0.00 C ATOM 134 O GLN A 18 3.630 -4.407 -7.516 1.00 0.00 O ATOM 135 CB GLN A 18 4.477 -1.616 -9.064 1.00 0.00 C ATOM 136 CG GLN A 18 3.860 -0.317 -9.559 1.00 0.00 C ATOM 137 CD GLN A 18 2.367 -0.434 -9.792 1.00 0.00 C ATOM 138 OE1 GLN A 18 1.921 -0.760 -10.892 1.00 0.00 O ATOM 139 NE2 GLN A 18 1.584 -0.173 -8.757 1.00 0.00 N ATOM 0 H GLN A 18 5.031 -0.346 -7.065 1.00 0.00 H new ATOM 0 HA GLN A 18 2.887 -2.017 -7.669 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.561 -1.505 -9.030 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.260 -2.409 -9.780 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.050 0.472 -8.831 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.347 -0.018 -10.487 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.994 0.094 -7.862 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.571 -0.239 -8.855 1.00 0.00 H new ATOM 148 N ALA A 19 5.665 -3.618 -6.968 1.00 0.00 N ATOM 149 CA ALA A 19 6.217 -4.929 -6.632 1.00 0.00 C ATOM 150 C ALA A 19 5.515 -5.540 -5.416 1.00 0.00 C ATOM 151 O ALA A 19 5.463 -6.767 -5.255 1.00 0.00 O ATOM 152 CB ALA A 19 7.713 -4.816 -6.381 1.00 0.00 C ATOM 0 H ALA A 19 6.321 -2.846 -6.852 1.00 0.00 H new ATOM 0 HA ALA A 19 6.046 -5.594 -7.479 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.115 -5.798 -6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.205 -4.440 -7.278 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.892 -4.129 -5.554 1.00 0.00 H new ATOM 158 N VAL A 20 4.915 -4.696 -4.588 1.00 0.00 N ATOM 159 CA VAL A 20 4.307 -5.167 -3.360 1.00 0.00 C ATOM 160 C VAL A 20 2.874 -5.501 -3.672 1.00 0.00 C ATOM 161 O VAL A 20 2.229 -6.285 -2.989 1.00 0.00 O ATOM 162 CB VAL A 20 4.350 -4.116 -2.228 1.00 0.00 C ATOM 163 CG1 VAL A 20 4.043 -4.765 -0.889 1.00 0.00 C ATOM 164 CG2 VAL A 20 5.697 -3.418 -2.178 1.00 0.00 C ATOM 0 H VAL A 20 4.838 -3.691 -4.745 1.00 0.00 H new ATOM 0 HA VAL A 20 4.865 -6.033 -3.004 1.00 0.00 H new ATOM 0 HB VAL A 20 3.588 -3.366 -2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.077 -4.011 -0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.049 -5.211 -0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.782 -5.539 -0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.697 -2.684 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.481 -4.153 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.881 -2.914 -3.127 1.00 0.00 H new ATOM 174 N THR A 21 2.408 -4.912 -4.755 1.00 0.00 N ATOM 175 CA THR A 21 1.063 -5.119 -5.219 1.00 0.00 C ATOM 176 C THR A 21 0.984 -6.391 -6.059 1.00 0.00 C ATOM 177 O THR A 21 -0.040 -7.077 -6.087 1.00 0.00 O ATOM 178 CB THR A 21 0.586 -3.929 -6.052 1.00 0.00 C ATOM 179 OG1 THR A 21 1.028 -2.699 -5.462 1.00 0.00 O ATOM 180 CG2 THR A 21 -0.913 -3.934 -6.110 1.00 0.00 C ATOM 0 H THR A 21 2.957 -4.277 -5.334 1.00 0.00 H new ATOM 0 HA THR A 21 0.417 -5.219 -4.347 1.00 0.00 H new ATOM 0 HB THR A 21 1.001 -4.012 -7.056 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.972 -2.553 -5.679 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.257 -3.087 -6.703 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.256 -4.861 -6.569 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.316 -3.858 -5.100 1.00 0.00 H new ATOM 188 N THR A 22 2.071 -6.701 -6.753 1.00 0.00 N ATOM 189 CA THR A 22 2.167 -7.957 -7.469 1.00 0.00 C ATOM 190 C THR A 22 2.293 -9.102 -6.473 1.00 0.00 C ATOM 191 O THR A 22 1.807 -10.206 -6.714 1.00 0.00 O ATOM 192 CB THR A 22 3.360 -7.969 -8.448 1.00 0.00 C ATOM 193 OG1 THR A 22 4.531 -7.464 -7.800 1.00 0.00 O ATOM 194 CG2 THR A 22 3.060 -7.132 -9.683 1.00 0.00 C ATOM 0 H THR A 22 2.892 -6.101 -6.833 1.00 0.00 H new ATOM 0 HA THR A 22 1.259 -8.080 -8.060 1.00 0.00 H new ATOM 0 HB THR A 22 3.531 -8.999 -8.760 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.391 -7.457 -6.830 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.917 -7.157 -10.356 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.186 -7.536 -10.193 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.863 -6.102 -9.385 1.00 0.00 H new ATOM 202 N THR A 23 2.934 -8.823 -5.346 1.00 0.00 N ATOM 203 CA THR A 23 3.041 -9.803 -4.280 1.00 0.00 C ATOM 204 C THR A 23 1.759 -9.871 -3.439 1.00 0.00 C ATOM 205 O THR A 23 1.240 -10.957 -3.190 1.00 0.00 O ATOM 206 CB THR A 23 4.257 -9.502 -3.393 1.00 0.00 C ATOM 207 OG1 THR A 23 5.398 -9.283 -4.234 1.00 0.00 O ATOM 208 CG2 THR A 23 4.537 -10.659 -2.446 1.00 0.00 C ATOM 0 H THR A 23 3.385 -7.930 -5.149 1.00 0.00 H new ATOM 0 HA THR A 23 3.179 -10.780 -4.743 1.00 0.00 H new ATOM 0 HB THR A 23 4.050 -8.614 -2.795 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.431 -8.341 -4.502 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.403 -10.422 -1.828 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.670 -10.824 -1.807 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.739 -11.561 -3.023 1.00 0.00 H new ATOM 216 N TYR A 24 1.245 -8.726 -2.997 1.00 0.00 N ATOM 217 CA TYR A 24 -0.006 -8.686 -2.287 1.00 0.00 C ATOM 218 C TYR A 24 -1.006 -7.912 -3.134 1.00 0.00 C ATOM 219 O TYR A 24 -1.004 -6.689 -3.143 1.00 0.00 O ATOM 220 CB TYR A 24 0.200 -8.016 -0.920 1.00 0.00 C ATOM 221 CG TYR A 24 1.339 -8.612 -0.109 1.00 0.00 C ATOM 222 CD1 TYR A 24 2.661 -8.236 -0.353 1.00 0.00 C ATOM 223 CD2 TYR A 24 1.104 -9.553 0.886 1.00 0.00 C ATOM 224 CE1 TYR A 24 3.709 -8.782 0.368 1.00 0.00 C ATOM 225 CE2 TYR A 24 2.148 -10.101 1.608 1.00 0.00 C ATOM 226 CZ TYR A 24 3.447 -9.714 1.344 1.00 0.00 C ATOM 227 OH TYR A 24 4.488 -10.267 2.052 1.00 0.00 O ATOM 0 H TYR A 24 1.687 -7.816 -3.125 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.386 -9.692 -2.111 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.392 -6.954 -1.072 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.723 -8.094 -0.345 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.870 -7.505 -1.120 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.091 -9.861 1.099 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.725 -8.478 0.165 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.948 -10.831 2.378 1.00 0.00 H new ATOM 0 HH TYR A 24 5.222 -9.620 2.114 1.00 0.00 H new ATOM 237 N SER A 25 -1.828 -8.619 -3.891 1.00 0.00 N ATOM 238 CA SER A 25 -2.732 -7.974 -4.824 1.00 0.00 C ATOM 239 C SER A 25 -4.010 -7.506 -4.136 1.00 0.00 C ATOM 240 O SER A 25 -5.012 -7.210 -4.790 1.00 0.00 O ATOM 241 CB SER A 25 -3.032 -8.931 -5.966 1.00 0.00 C ATOM 242 OG SER A 25 -1.827 -9.342 -6.592 1.00 0.00 O ATOM 0 H SER A 25 -1.887 -9.637 -3.877 1.00 0.00 H new ATOM 0 HA SER A 25 -2.252 -7.080 -5.223 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.569 -9.801 -5.589 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.682 -8.446 -6.695 1.00 0.00 H new ATOM 0 HG SER A 25 -1.147 -8.644 -6.483 1.00 0.00 H new ATOM 248 N ASN A 26 -3.959 -7.446 -2.813 1.00 0.00 N ATOM 249 CA ASN A 26 -5.005 -6.814 -2.025 1.00 0.00 C ATOM 250 C ASN A 26 -4.648 -5.350 -1.814 1.00 0.00 C ATOM 251 O ASN A 26 -5.494 -4.532 -1.440 1.00 0.00 O ATOM 252 CB ASN A 26 -5.159 -7.492 -0.665 1.00 0.00 C ATOM 253 CG ASN A 26 -3.889 -7.432 0.160 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.784 -7.599 -0.357 1.00 0.00 O ATOM 255 ND2 ASN A 26 -4.030 -7.158 1.443 1.00 0.00 N ATOM 0 H ASN A 26 -3.195 -7.832 -2.259 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.948 -6.906 -2.564 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.969 -7.014 -0.114 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.444 -8.534 -0.812 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.207 -7.078 2.041 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.962 -7.026 1.837 1.00 0.00 H new ATOM 262 N ILE A 27 -3.372 -5.040 -2.037 1.00 0.00 N ATOM 263 CA ILE A 27 -2.889 -3.674 -1.970 1.00 0.00 C ATOM 264 C ILE A 27 -3.402 -2.917 -3.193 1.00 0.00 C ATOM 265 O ILE A 27 -3.554 -3.504 -4.265 1.00 0.00 O ATOM 266 CB ILE A 27 -1.342 -3.609 -1.954 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.740 -4.717 -1.077 1.00 0.00 C ATOM 268 CG2 ILE A 27 -0.874 -2.235 -1.489 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.715 -4.502 -0.721 1.00 0.00 C ATOM 0 H ILE A 27 -2.654 -5.727 -2.267 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.254 -3.227 -1.045 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.989 -3.771 -2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.320 -4.793 -0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.839 -5.670 -1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.216 -2.205 -1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.255 -1.472 -2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.248 -2.044 -0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.064 -5.328 -0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.310 -4.457 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.821 -3.566 -0.172 1.00 0.00 H new ATOM 281 N THR A 28 -3.667 -1.627 -3.051 1.00 0.00 N ATOM 282 CA THR A 28 -4.247 -0.861 -4.142 1.00 0.00 C ATOM 283 C THR A 28 -3.653 0.535 -4.193 1.00 0.00 C ATOM 284 O THR A 28 -3.346 1.120 -3.157 1.00 0.00 O ATOM 285 CB THR A 28 -5.786 -0.762 -4.019 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.157 -0.427 -2.675 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.462 -2.063 -4.424 1.00 0.00 C ATOM 0 H THR A 28 -3.492 -1.093 -2.200 1.00 0.00 H new ATOM 0 HA THR A 28 -4.010 -1.390 -5.065 1.00 0.00 H new ATOM 0 HB THR A 28 -6.120 0.024 -4.697 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.604 -0.936 -2.046 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.542 -1.958 -4.325 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.213 -2.295 -5.459 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.116 -2.870 -3.778 1.00 0.00 H new ATOM 295 N LEU A 29 -3.481 1.058 -5.393 1.00 0.00 N ATOM 296 CA LEU A 29 -2.941 2.395 -5.562 1.00 0.00 C ATOM 297 C LEU A 29 -4.081 3.362 -5.851 1.00 0.00 C ATOM 298 O LEU A 29 -4.684 3.326 -6.928 1.00 0.00 O ATOM 299 CB LEU A 29 -1.905 2.410 -6.698 1.00 0.00 C ATOM 300 CG LEU A 29 -0.877 3.553 -6.658 1.00 0.00 C ATOM 301 CD1 LEU A 29 0.236 3.295 -7.663 1.00 0.00 C ATOM 302 CD2 LEU A 29 -1.530 4.899 -6.939 1.00 0.00 C ATOM 0 H LEU A 29 -3.707 0.578 -6.264 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.437 2.706 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.366 1.463 -6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.437 2.460 -7.648 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.455 3.586 -5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.957 4.111 -7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.736 2.357 -7.420 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.187 3.231 -8.666 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.775 5.684 -6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.989 4.882 -7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.295 5.096 -6.188 1.00 0.00 H new ATOM 314 N GLU A 30 -4.391 4.207 -4.881 1.00 0.00 N ATOM 315 CA GLU A 30 -5.445 5.192 -5.040 1.00 0.00 C ATOM 316 C GLU A 30 -4.875 6.598 -5.033 1.00 0.00 C ATOM 317 O GLU A 30 -3.749 6.822 -4.583 1.00 0.00 O ATOM 318 CB GLU A 30 -6.501 5.080 -3.945 1.00 0.00 C ATOM 319 CG GLU A 30 -7.341 3.818 -4.017 1.00 0.00 C ATOM 320 CD GLU A 30 -8.578 3.903 -3.148 1.00 0.00 C ATOM 321 OE1 GLU A 30 -9.423 4.786 -3.400 1.00 0.00 O ATOM 322 OE2 GLU A 30 -8.716 3.090 -2.211 1.00 0.00 O ATOM 0 H GLU A 30 -3.926 4.229 -3.974 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.918 4.990 -6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.007 5.119 -2.974 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.161 5.946 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.637 3.639 -5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.739 2.965 -3.706 1.00 0.00 H new ATOM 329 N ASP A 31 -5.676 7.528 -5.524 1.00 0.00 N ATOM 330 CA ASP A 31 -5.304 8.932 -5.597 1.00 0.00 C ATOM 331 C ASP A 31 -4.029 9.143 -6.391 1.00 0.00 C ATOM 332 O ASP A 31 -2.985 9.458 -5.835 1.00 0.00 O ATOM 333 CB ASP A 31 -5.184 9.569 -4.206 1.00 0.00 C ATOM 334 CG ASP A 31 -6.513 10.093 -3.696 1.00 0.00 C ATOM 335 OD1 ASP A 31 -6.970 11.144 -4.194 1.00 0.00 O ATOM 336 OD2 ASP A 31 -7.104 9.473 -2.789 1.00 0.00 O ATOM 0 H ASP A 31 -6.609 7.330 -5.886 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.114 9.434 -6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.793 8.832 -3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.464 10.387 -4.244 1.00 0.00 H new ATOM 341 N ASP A 32 -4.118 8.948 -7.698 1.00 0.00 N ATOM 342 CA ASP A 32 -3.002 9.238 -8.592 1.00 0.00 C ATOM 343 C ASP A 32 -2.895 10.740 -8.828 1.00 0.00 C ATOM 344 O ASP A 32 -3.300 11.245 -9.875 1.00 0.00 O ATOM 345 CB ASP A 32 -3.160 8.514 -9.937 1.00 0.00 C ATOM 346 CG ASP A 32 -2.610 7.101 -9.940 1.00 0.00 C ATOM 347 OD1 ASP A 32 -3.368 6.162 -9.619 1.00 0.00 O ATOM 348 OD2 ASP A 32 -1.426 6.913 -10.307 1.00 0.00 O ATOM 0 H ASP A 32 -4.951 8.590 -8.165 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.091 8.878 -8.114 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.217 8.483 -10.200 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.656 9.092 -10.711 1.00 0.00 H new ATOM 353 N GLN A 33 -2.385 11.455 -7.836 1.00 0.00 N ATOM 354 CA GLN A 33 -2.233 12.904 -7.927 1.00 0.00 C ATOM 355 C GLN A 33 -0.771 13.260 -8.184 1.00 0.00 C ATOM 356 O GLN A 33 -0.331 14.378 -7.914 1.00 0.00 O ATOM 357 CB GLN A 33 -2.714 13.573 -6.633 1.00 0.00 C ATOM 358 CG GLN A 33 -4.144 13.228 -6.240 1.00 0.00 C ATOM 359 CD GLN A 33 -5.187 13.862 -7.143 1.00 0.00 C ATOM 360 OE1 GLN A 33 -4.953 14.091 -8.328 1.00 0.00 O ATOM 361 NE2 GLN A 33 -6.353 14.147 -6.584 1.00 0.00 N ATOM 0 H GLN A 33 -2.067 11.055 -6.953 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.840 13.267 -8.756 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.047 13.285 -5.820 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.632 14.654 -6.745 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.267 12.145 -6.260 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.319 13.550 -5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.509 13.942 -5.597 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.095 14.572 -7.140 1.00 0.00 H new ATOM 370 N GLY A 34 -0.020 12.295 -8.702 1.00 0.00 N ATOM 371 CA GLY A 34 1.378 12.520 -9.013 1.00 0.00 C ATOM 372 C GLY A 34 2.269 12.363 -7.799 1.00 0.00 C ATOM 373 O GLY A 34 2.709 11.256 -7.484 1.00 0.00 O ATOM 0 H GLY A 34 -0.357 11.356 -8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.693 11.819 -9.786 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.500 13.522 -9.423 1.00 0.00 H new ATOM 377 N SER A 35 2.533 13.470 -7.120 1.00 0.00 N ATOM 378 CA SER A 35 3.342 13.456 -5.909 1.00 0.00 C ATOM 379 C SER A 35 2.526 12.898 -4.746 1.00 0.00 C ATOM 380 O SER A 35 3.063 12.288 -3.819 1.00 0.00 O ATOM 381 CB SER A 35 3.835 14.870 -5.587 1.00 0.00 C ATOM 382 OG SER A 35 4.729 14.874 -4.484 1.00 0.00 O ATOM 0 H SER A 35 2.197 14.395 -7.389 1.00 0.00 H new ATOM 0 HA SER A 35 4.210 12.815 -6.068 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.333 15.290 -6.461 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.982 15.512 -5.367 1.00 0.00 H new ATOM 0 HG SER A 35 5.025 15.791 -4.306 1.00 0.00 H new ATOM 388 N HIS A 36 1.219 13.104 -4.809 1.00 0.00 N ATOM 389 CA HIS A 36 0.318 12.582 -3.795 1.00 0.00 C ATOM 390 C HIS A 36 -0.378 11.339 -4.317 1.00 0.00 C ATOM 391 O HIS A 36 -1.226 11.429 -5.193 1.00 0.00 O ATOM 392 CB HIS A 36 -0.747 13.615 -3.400 1.00 0.00 C ATOM 393 CG HIS A 36 -0.208 14.879 -2.799 1.00 0.00 C ATOM 394 ND1 HIS A 36 -0.460 15.264 -1.499 1.00 0.00 N ATOM 395 CD2 HIS A 36 0.552 15.860 -3.339 1.00 0.00 C ATOM 396 CE1 HIS A 36 0.122 16.427 -1.267 1.00 0.00 C ATOM 397 NE2 HIS A 36 0.742 16.811 -2.369 1.00 0.00 N ATOM 0 H HIS A 36 0.759 13.629 -5.553 1.00 0.00 H new ATOM 0 HA HIS A 36 0.915 12.343 -2.915 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.330 13.870 -4.285 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.432 13.155 -2.688 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.938 15.889 -4.347 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.096 16.972 -0.335 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.275 17.674 -2.480 1.00 0.00 H new ATOM 406 N PHE A 37 0.006 10.187 -3.803 1.00 0.00 N ATOM 407 CA PHE A 37 -0.681 8.943 -4.121 1.00 0.00 C ATOM 408 C PHE A 37 -0.602 8.012 -2.929 1.00 0.00 C ATOM 409 O PHE A 37 0.375 8.041 -2.176 1.00 0.00 O ATOM 410 CB PHE A 37 -0.116 8.278 -5.389 1.00 0.00 C ATOM 411 CG PHE A 37 1.300 7.786 -5.288 1.00 0.00 C ATOM 412 CD1 PHE A 37 2.366 8.646 -5.500 1.00 0.00 C ATOM 413 CD2 PHE A 37 1.562 6.455 -5.004 1.00 0.00 C ATOM 414 CE1 PHE A 37 3.665 8.187 -5.430 1.00 0.00 C ATOM 415 CE2 PHE A 37 2.860 5.991 -4.930 1.00 0.00 C ATOM 416 CZ PHE A 37 3.913 6.858 -5.143 1.00 0.00 C ATOM 0 H PHE A 37 0.792 10.083 -3.161 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.726 9.169 -4.334 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.756 7.436 -5.652 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.176 8.993 -6.210 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.178 9.686 -5.722 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.741 5.773 -4.839 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.488 8.866 -5.599 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.051 4.952 -4.706 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.930 6.498 -5.085 1.00 0.00 H new ATOM 426 N ARG A 38 -1.637 7.214 -2.732 1.00 0.00 N ATOM 427 CA ARG A 38 -1.714 6.379 -1.539 1.00 0.00 C ATOM 428 C ARG A 38 -1.977 4.920 -1.872 1.00 0.00 C ATOM 429 O ARG A 38 -2.584 4.596 -2.893 1.00 0.00 O ATOM 430 CB ARG A 38 -2.803 6.906 -0.605 1.00 0.00 C ATOM 431 CG ARG A 38 -4.166 6.993 -1.262 1.00 0.00 C ATOM 432 CD ARG A 38 -5.213 7.561 -0.323 1.00 0.00 C ATOM 433 NE ARG A 38 -6.501 7.710 -0.994 1.00 0.00 N ATOM 434 CZ ARG A 38 -7.535 6.895 -0.820 1.00 0.00 C ATOM 435 NH1 ARG A 38 -7.445 5.874 0.019 1.00 0.00 N ATOM 436 NH2 ARG A 38 -8.658 7.102 -1.491 1.00 0.00 N ATOM 0 H ARG A 38 -2.427 7.124 -3.371 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.745 6.429 -1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.869 6.256 0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.517 7.895 -0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.100 7.618 -2.153 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.474 6.001 -1.591 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.324 6.906 0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.882 8.529 0.052 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.614 8.492 -1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.580 5.712 0.534 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.241 5.250 0.150 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.727 7.886 -2.140 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.453 6.477 -1.359 1.00 0.00 H new ATOM 450 N LEU A 39 -1.510 4.044 -0.997 1.00 0.00 N ATOM 451 CA LEU A 39 -1.760 2.622 -1.133 1.00 0.00 C ATOM 452 C LEU A 39 -2.736 2.165 -0.065 1.00 0.00 C ATOM 453 O LEU A 39 -2.594 2.501 1.112 1.00 0.00 O ATOM 454 CB LEU A 39 -0.467 1.820 -1.023 1.00 0.00 C ATOM 455 CG LEU A 39 0.599 2.152 -2.060 1.00 0.00 C ATOM 456 CD1 LEU A 39 1.871 1.374 -1.770 1.00 0.00 C ATOM 457 CD2 LEU A 39 0.097 1.844 -3.460 1.00 0.00 C ATOM 0 H LEU A 39 -0.953 4.297 -0.181 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.188 2.448 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.045 1.977 -0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.709 0.760 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 39 0.819 3.218 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.626 1.619 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.242 1.639 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.660 0.305 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.872 2.088 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.149 0.785 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.793 2.438 -3.666 1.00 0.00 H new ATOM 469 N VAL A 40 -3.730 1.413 -0.482 1.00 0.00 N ATOM 470 CA VAL A 40 -4.748 0.923 0.428 1.00 0.00 C ATOM 471 C VAL A 40 -4.686 -0.593 0.539 1.00 0.00 C ATOM 472 O VAL A 40 -4.852 -1.307 -0.449 1.00 0.00 O ATOM 473 CB VAL A 40 -6.158 1.340 -0.031 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.208 0.919 0.987 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.211 2.838 -0.278 1.00 0.00 C ATOM 0 H VAL A 40 -3.858 1.124 -1.452 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.550 1.367 1.404 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.380 0.829 -0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.195 1.225 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.185 -0.164 1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.997 1.394 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.213 3.118 -0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.966 3.367 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.492 3.105 -1.052 1.00 0.00 H new ATOM 485 N VAL A 41 -4.433 -1.072 1.741 1.00 0.00 N ATOM 486 CA VAL A 41 -4.417 -2.496 2.015 1.00 0.00 C ATOM 487 C VAL A 41 -5.813 -2.957 2.411 1.00 0.00 C ATOM 488 O VAL A 41 -6.349 -2.526 3.439 1.00 0.00 O ATOM 489 CB VAL A 41 -3.432 -2.846 3.151 1.00 0.00 C ATOM 490 CG1 VAL A 41 -3.510 -4.325 3.492 1.00 0.00 C ATOM 491 CG2 VAL A 41 -2.011 -2.455 2.774 1.00 0.00 C ATOM 0 H VAL A 41 -4.233 -0.488 2.553 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.091 -3.005 1.108 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.717 -2.276 4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.808 -4.551 4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.522 -4.571 3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.256 -4.915 2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.335 -2.711 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.713 -2.992 1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.966 -1.382 2.589 1.00 0.00 H new ATOM 501 N ARG A 42 -6.406 -3.801 1.583 1.00 0.00 N ATOM 502 CA ARG A 42 -7.718 -4.356 1.869 1.00 0.00 C ATOM 503 C ARG A 42 -7.581 -5.801 2.332 1.00 0.00 C ATOM 504 O ARG A 42 -6.530 -6.415 2.157 1.00 0.00 O ATOM 505 CB ARG A 42 -8.610 -4.282 0.627 1.00 0.00 C ATOM 506 CG ARG A 42 -8.768 -2.872 0.077 1.00 0.00 C ATOM 507 CD ARG A 42 -9.300 -2.870 -1.348 1.00 0.00 C ATOM 508 NE ARG A 42 -10.605 -3.518 -1.470 1.00 0.00 N ATOM 509 CZ ARG A 42 -10.945 -4.305 -2.494 1.00 0.00 C ATOM 510 NH1 ARG A 42 -10.063 -4.562 -3.457 1.00 0.00 N ATOM 511 NH2 ARG A 42 -12.164 -4.824 -2.565 1.00 0.00 N ATOM 0 H ARG A 42 -5.997 -4.118 0.704 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.181 -3.771 2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.192 -4.922 -0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.595 -4.680 0.872 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.446 -2.307 0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.805 -2.362 0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.377 -1.841 -1.700 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.586 -3.377 -1.997 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.293 -3.360 -0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.127 -4.158 -3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.323 -5.163 -4.239 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.847 -4.623 -1.835 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.418 -5.424 -3.350 1.00 0.00 H new ATOM 525 N ASP A 43 -8.631 -6.334 2.929 1.00 0.00 N ATOM 526 CA ASP A 43 -8.606 -7.710 3.417 1.00 0.00 C ATOM 527 C ASP A 43 -9.373 -8.625 2.464 1.00 0.00 C ATOM 528 O ASP A 43 -9.685 -8.236 1.339 1.00 0.00 O ATOM 529 CB ASP A 43 -9.207 -7.795 4.826 1.00 0.00 C ATOM 530 CG ASP A 43 -10.722 -7.843 4.815 1.00 0.00 C ATOM 531 OD1 ASP A 43 -11.353 -6.850 4.410 1.00 0.00 O ATOM 532 OD2 ASP A 43 -11.281 -8.900 5.173 1.00 0.00 O ATOM 0 H ASP A 43 -9.510 -5.842 3.089 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.568 -8.038 3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.823 -8.684 5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.879 -6.934 5.409 1.00 0.00 H new ATOM 537 N THR A 44 -9.677 -9.837 2.919 1.00 0.00 N ATOM 538 CA THR A 44 -10.420 -10.801 2.111 1.00 0.00 C ATOM 539 C THR A 44 -11.860 -10.342 1.854 1.00 0.00 C ATOM 540 O THR A 44 -12.499 -10.769 0.888 1.00 0.00 O ATOM 541 CB THR A 44 -10.440 -12.186 2.786 1.00 0.00 C ATOM 542 OG1 THR A 44 -10.859 -12.059 4.154 1.00 0.00 O ATOM 543 CG2 THR A 44 -9.064 -12.836 2.727 1.00 0.00 C ATOM 0 H THR A 44 -9.420 -10.176 3.846 1.00 0.00 H new ATOM 0 HA THR A 44 -9.904 -10.871 1.153 1.00 0.00 H new ATOM 0 HB THR A 44 -11.146 -12.819 2.249 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.871 -12.943 4.576 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.102 -13.813 3.209 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.763 -12.957 1.686 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.341 -12.204 3.243 1.00 0.00 H new ATOM 551 N GLU A 45 -12.369 -9.472 2.718 1.00 0.00 N ATOM 552 CA GLU A 45 -13.710 -8.936 2.554 1.00 0.00 C ATOM 553 C GLU A 45 -13.662 -7.707 1.655 1.00 0.00 C ATOM 554 O GLU A 45 -14.663 -7.317 1.052 1.00 0.00 O ATOM 555 CB GLU A 45 -14.304 -8.573 3.918 1.00 0.00 C ATOM 556 CG GLU A 45 -15.784 -8.237 3.875 1.00 0.00 C ATOM 557 CD GLU A 45 -16.634 -9.409 3.437 1.00 0.00 C ATOM 558 OE1 GLU A 45 -16.847 -9.577 2.219 1.00 0.00 O ATOM 559 OE2 GLU A 45 -17.095 -10.172 4.312 1.00 0.00 O ATOM 0 H GLU A 45 -11.872 -9.124 3.538 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.344 -9.692 2.091 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.150 -9.406 4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.760 -7.721 4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.107 -7.908 4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.944 -7.402 3.193 1.00 0.00 H new ATOM 566 N GLY A 46 -12.485 -7.104 1.569 1.00 0.00 N ATOM 567 CA GLY A 46 -12.307 -5.936 0.739 1.00 0.00 C ATOM 568 C GLY A 46 -12.311 -4.659 1.547 1.00 0.00 C ATOM 569 O GLY A 46 -12.249 -3.562 0.985 1.00 0.00 O ATOM 0 H GLY A 46 -11.646 -7.407 2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.366 -6.018 0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.102 -5.896 -0.005 1.00 0.00 H new ATOM 573 N ARG A 47 -12.364 -4.802 2.866 1.00 0.00 N ATOM 574 CA ARG A 47 -12.397 -3.663 3.759 1.00 0.00 C ATOM 575 C ARG A 47 -11.038 -2.987 3.793 1.00 0.00 C ATOM 576 O ARG A 47 -10.006 -3.649 3.673 1.00 0.00 O ATOM 577 CB ARG A 47 -12.766 -4.106 5.173 1.00 0.00 C ATOM 578 CG ARG A 47 -14.101 -4.818 5.282 1.00 0.00 C ATOM 579 CD ARG A 47 -14.379 -5.229 6.719 1.00 0.00 C ATOM 580 NE ARG A 47 -15.572 -6.064 6.840 1.00 0.00 N ATOM 581 CZ ARG A 47 -15.768 -6.949 7.818 1.00 0.00 C ATOM 582 NH1 ARG A 47 -14.877 -7.072 8.795 1.00 0.00 N ATOM 583 NH2 ARG A 47 -16.869 -7.692 7.827 1.00 0.00 N ATOM 0 H ARG A 47 -12.385 -5.706 3.338 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.147 -2.963 3.391 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.985 -4.767 5.548 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.782 -3.230 5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.897 -4.164 4.926 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.101 -5.699 4.641 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.519 -5.771 7.112 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.500 -4.336 7.332 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.300 -5.964 6.133 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.040 -6.489 8.799 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.029 -7.750 9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.563 -7.585 7.087 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.021 -8.370 8.574 1.00 0.00 H new ATOM 597 N MET A 48 -11.034 -1.675 3.957 1.00 0.00 N ATOM 598 CA MET A 48 -9.786 -0.942 4.083 1.00 0.00 C ATOM 599 C MET A 48 -9.186 -1.193 5.458 1.00 0.00 C ATOM 600 O MET A 48 -9.654 -0.649 6.460 1.00 0.00 O ATOM 601 CB MET A 48 -9.984 0.563 3.876 1.00 0.00 C ATOM 602 CG MET A 48 -10.644 0.942 2.556 1.00 0.00 C ATOM 603 SD MET A 48 -12.415 0.598 2.522 1.00 0.00 S ATOM 604 CE MET A 48 -12.832 1.144 0.865 1.00 0.00 C ATOM 0 H MET A 48 -11.874 -1.099 4.006 1.00 0.00 H new ATOM 0 HA MET A 48 -9.110 -1.298 3.306 1.00 0.00 H new ATOM 0 HB2 MET A 48 -10.590 0.952 4.694 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.013 1.055 3.936 1.00 0.00 H new ATOM 0 HG2 MET A 48 -10.483 2.004 2.368 1.00 0.00 H new ATOM 0 HG3 MET A 48 -10.159 0.398 1.745 1.00 0.00 H new ATOM 0 HE1 MET A 48 -13.898 0.996 0.690 1.00 0.00 H new ATOM 0 HE2 MET A 48 -12.591 2.202 0.759 1.00 0.00 H new ATOM 0 HE3 MET A 48 -12.261 0.567 0.137 1.00 0.00 H new ATOM 614 N VAL A 49 -8.173 -2.040 5.500 1.00 0.00 N ATOM 615 CA VAL A 49 -7.495 -2.370 6.743 1.00 0.00 C ATOM 616 C VAL A 49 -6.543 -1.248 7.130 1.00 0.00 C ATOM 617 O VAL A 49 -6.452 -0.866 8.298 1.00 0.00 O ATOM 618 CB VAL A 49 -6.709 -3.693 6.613 1.00 0.00 C ATOM 619 CG1 VAL A 49 -6.011 -4.044 7.917 1.00 0.00 C ATOM 620 CG2 VAL A 49 -7.632 -4.821 6.181 1.00 0.00 C ATOM 0 H VAL A 49 -7.798 -2.516 4.680 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.252 -2.492 7.518 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.945 -3.558 5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.465 -4.980 7.797 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.314 -3.249 8.182 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.753 -4.155 8.708 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.061 -5.745 6.095 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.421 -4.950 6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.077 -4.578 5.216 1.00 0.00 H new ATOM 630 N TRP A 50 -5.860 -0.711 6.132 1.00 0.00 N ATOM 631 CA TRP A 50 -4.914 0.371 6.345 1.00 0.00 C ATOM 632 C TRP A 50 -4.584 1.036 5.018 1.00 0.00 C ATOM 633 O TRP A 50 -4.483 0.367 3.993 1.00 0.00 O ATOM 634 CB TRP A 50 -3.634 -0.153 7.009 1.00 0.00 C ATOM 635 CG TRP A 50 -2.594 0.909 7.221 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.437 1.081 6.513 1.00 0.00 C ATOM 637 CD2 TRP A 50 -2.623 1.958 8.197 1.00 0.00 C ATOM 638 NE1 TRP A 50 -0.750 2.171 6.991 1.00 0.00 N ATOM 639 CE2 TRP A 50 -1.455 2.725 8.023 1.00 0.00 C ATOM 640 CE3 TRP A 50 -3.525 2.327 9.198 1.00 0.00 C ATOM 641 CZ2 TRP A 50 -1.163 3.831 8.816 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -3.235 3.426 9.983 1.00 0.00 C ATOM 643 CH2 TRP A 50 -2.065 4.169 9.786 1.00 0.00 C ATOM 0 H TRP A 50 -5.945 -1.010 5.160 1.00 0.00 H new ATOM 0 HA TRP A 50 -5.368 1.106 7.010 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -3.889 -0.599 7.971 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.212 -0.946 6.392 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.111 0.452 5.698 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.142 2.512 6.633 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.433 1.763 9.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.257 4.401 8.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -3.923 3.717 10.763 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.871 5.027 10.413 1.00 0.00 H new ATOM 654 N ARG A 51 -4.434 2.347 5.037 1.00 0.00 N ATOM 655 CA ARG A 51 -4.065 3.092 3.847 1.00 0.00 C ATOM 656 C ARG A 51 -3.106 4.210 4.220 1.00 0.00 C ATOM 657 O ARG A 51 -3.280 4.864 5.247 1.00 0.00 O ATOM 658 CB ARG A 51 -5.312 3.653 3.157 1.00 0.00 C ATOM 659 CG ARG A 51 -6.174 4.513 4.062 1.00 0.00 C ATOM 660 CD ARG A 51 -7.516 4.829 3.426 1.00 0.00 C ATOM 661 NE ARG A 51 -8.346 5.652 4.301 1.00 0.00 N ATOM 662 CZ ARG A 51 -9.512 5.262 4.810 1.00 0.00 C ATOM 663 NH1 ARG A 51 -10.023 4.079 4.487 1.00 0.00 N ATOM 664 NH2 ARG A 51 -10.161 6.059 5.644 1.00 0.00 N ATOM 0 H ARG A 51 -4.563 2.922 5.870 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.567 2.421 3.147 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.004 4.244 2.294 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.911 2.825 2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.333 3.998 5.010 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.651 5.442 4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.358 5.348 2.480 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.038 3.900 3.197 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.011 6.586 4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.521 3.465 3.846 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.917 3.785 4.880 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.767 6.966 5.893 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.055 5.766 6.038 1.00 0.00 H new ATOM 678 N ALA A 52 -2.091 4.410 3.397 1.00 0.00 N ATOM 679 CA ALA A 52 -1.072 5.413 3.671 1.00 0.00 C ATOM 680 C ALA A 52 -0.610 6.064 2.378 1.00 0.00 C ATOM 681 O ALA A 52 -0.740 5.475 1.301 1.00 0.00 O ATOM 682 CB ALA A 52 0.108 4.789 4.403 1.00 0.00 C ATOM 0 H ALA A 52 -1.949 3.890 2.531 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.506 6.181 4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.860 5.553 4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.233 4.364 5.347 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.543 4.002 3.787 1.00 0.00 H new ATOM 688 N TRP A 53 -0.078 7.273 2.483 1.00 0.00 N ATOM 689 CA TRP A 53 0.386 8.004 1.324 1.00 0.00 C ATOM 690 C TRP A 53 1.836 7.664 1.027 1.00 0.00 C ATOM 691 O TRP A 53 2.367 6.659 1.494 1.00 0.00 O ATOM 692 CB TRP A 53 0.244 9.505 1.559 1.00 0.00 C ATOM 693 CG TRP A 53 -1.151 9.950 1.743 1.00 0.00 C ATOM 694 CD1 TRP A 53 -1.792 10.059 2.914 1.00 0.00 C ATOM 695 CD2 TRP A 53 -2.073 10.358 0.725 1.00 0.00 C ATOM 696 NE1 TRP A 53 -3.067 10.511 2.713 1.00 0.00 N ATOM 697 CE2 TRP A 53 -3.267 10.702 1.372 1.00 0.00 C ATOM 698 CE3 TRP A 53 -2.005 10.466 -0.667 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -4.393 11.148 0.681 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -3.120 10.908 -1.355 1.00 0.00 C ATOM 701 CH2 TRP A 53 -4.299 11.245 -0.680 1.00 0.00 C ATOM 0 H TRP A 53 0.041 7.767 3.367 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.224 7.717 0.467 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.823 9.782 2.440 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.677 10.038 0.713 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.364 9.824 3.877 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.758 10.679 3.444 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.099 10.209 -1.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.304 11.407 1.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -3.081 10.995 -2.431 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.152 11.589 -1.246 1.00 0.00 H new ATOM 712 N ASN A 54 2.471 8.522 0.256 1.00 0.00 N ATOM 713 CA ASN A 54 3.838 8.291 -0.178 1.00 0.00 C ATOM 714 C ASN A 54 4.815 9.199 0.563 1.00 0.00 C ATOM 715 O ASN A 54 5.935 8.797 0.867 1.00 0.00 O ATOM 716 CB ASN A 54 3.961 8.522 -1.686 1.00 0.00 C ATOM 717 CG ASN A 54 5.338 8.168 -2.213 1.00 0.00 C ATOM 718 OD1 ASN A 54 5.838 8.786 -3.151 1.00 0.00 O ATOM 719 ND2 ASN A 54 5.950 7.152 -1.630 1.00 0.00 N ATOM 0 H ASN A 54 2.062 9.391 -0.086 1.00 0.00 H new ATOM 0 HA ASN A 54 4.090 7.256 0.052 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.211 7.925 -2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.747 9.567 -1.910 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.870 6.856 -1.956 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.502 6.664 -0.854 1.00 0.00 H new ATOM 726 N PHE A 55 4.374 10.408 0.882 1.00 0.00 N ATOM 727 CA PHE A 55 5.255 11.415 1.467 1.00 0.00 C ATOM 728 C PHE A 55 5.431 11.213 2.972 1.00 0.00 C ATOM 729 O PHE A 55 6.087 12.011 3.641 1.00 0.00 O ATOM 730 CB PHE A 55 4.713 12.823 1.184 1.00 0.00 C ATOM 731 CG PHE A 55 3.334 13.074 1.740 1.00 0.00 C ATOM 732 CD1 PHE A 55 3.167 13.578 3.023 1.00 0.00 C ATOM 733 CD2 PHE A 55 2.206 12.808 0.980 1.00 0.00 C ATOM 734 CE1 PHE A 55 1.904 13.809 3.533 1.00 0.00 C ATOM 735 CE2 PHE A 55 0.942 13.036 1.486 1.00 0.00 C ATOM 736 CZ PHE A 55 0.790 13.536 2.764 1.00 0.00 C ATOM 0 H PHE A 55 3.412 10.717 0.746 1.00 0.00 H new ATOM 0 HA PHE A 55 6.234 11.304 1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.401 13.557 1.603 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.693 12.984 0.106 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.035 13.792 3.629 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.317 12.417 -0.021 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.788 14.203 4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.072 12.823 0.882 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.198 13.713 3.162 1.00 0.00 H new ATOM 746 N GLU A 56 4.843 10.151 3.499 1.00 0.00 N ATOM 747 CA GLU A 56 4.925 9.875 4.921 1.00 0.00 C ATOM 748 C GLU A 56 6.260 9.220 5.261 1.00 0.00 C ATOM 749 O GLU A 56 6.654 8.237 4.632 1.00 0.00 O ATOM 750 CB GLU A 56 3.755 9.000 5.359 1.00 0.00 C ATOM 751 CG GLU A 56 2.408 9.639 5.069 1.00 0.00 C ATOM 752 CD GLU A 56 1.256 8.889 5.697 1.00 0.00 C ATOM 753 OE1 GLU A 56 1.090 8.987 6.933 1.00 0.00 O ATOM 754 OE2 GLU A 56 0.499 8.230 4.958 1.00 0.00 O ATOM 0 H GLU A 56 4.306 9.469 2.964 1.00 0.00 H new ATOM 0 HA GLU A 56 4.865 10.817 5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.814 8.038 4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.836 8.800 6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.411 10.665 5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.259 9.688 3.990 1.00 0.00 H new ATOM 761 N PRO A 57 6.972 9.760 6.268 1.00 0.00 N ATOM 762 CA PRO A 57 8.339 9.335 6.613 1.00 0.00 C ATOM 763 C PRO A 57 8.444 7.877 7.051 1.00 0.00 C ATOM 764 O PRO A 57 9.547 7.351 7.193 1.00 0.00 O ATOM 765 CB PRO A 57 8.727 10.254 7.777 1.00 0.00 C ATOM 766 CG PRO A 57 7.783 11.400 7.701 1.00 0.00 C ATOM 767 CD PRO A 57 6.506 10.840 7.150 1.00 0.00 C ATOM 0 HA PRO A 57 8.990 9.407 5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.642 9.736 8.732 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.760 10.589 7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.624 11.842 8.685 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.175 12.188 7.057 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.856 10.464 7.940 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.939 11.592 6.602 1.00 0.00 H new ATOM 775 N ASP A 58 7.311 7.226 7.278 1.00 0.00 N ATOM 776 CA ASP A 58 7.308 5.820 7.656 1.00 0.00 C ATOM 777 C ASP A 58 6.131 5.090 7.017 1.00 0.00 C ATOM 778 O ASP A 58 5.598 4.136 7.585 1.00 0.00 O ATOM 779 CB ASP A 58 7.286 5.666 9.186 1.00 0.00 C ATOM 780 CG ASP A 58 5.977 6.077 9.835 1.00 0.00 C ATOM 781 OD1 ASP A 58 5.213 6.857 9.234 1.00 0.00 O ATOM 782 OD2 ASP A 58 5.718 5.626 10.973 1.00 0.00 O ATOM 0 H ASP A 58 6.385 7.648 7.207 1.00 0.00 H new ATOM 0 HA ASP A 58 8.227 5.366 7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.492 4.626 9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.093 6.263 9.611 1.00 0.00 H new ATOM 787 N ALA A 59 5.772 5.514 5.803 1.00 0.00 N ATOM 788 CA ALA A 59 4.648 4.928 5.078 1.00 0.00 C ATOM 789 C ALA A 59 4.821 3.420 4.928 1.00 0.00 C ATOM 790 O ALA A 59 3.869 2.647 5.095 1.00 0.00 O ATOM 791 CB ALA A 59 4.515 5.583 3.711 1.00 0.00 C ATOM 0 H ALA A 59 6.247 6.264 5.302 1.00 0.00 H new ATOM 0 HA ALA A 59 3.738 5.107 5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.675 5.141 3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.344 6.652 3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.431 5.426 3.141 1.00 0.00 H new ATOM 797 N GLY A 60 6.050 3.004 4.640 1.00 0.00 N ATOM 798 CA GLY A 60 6.344 1.601 4.476 1.00 0.00 C ATOM 799 C GLY A 60 6.105 0.814 5.737 1.00 0.00 C ATOM 800 O GLY A 60 5.571 -0.282 5.687 1.00 0.00 O ATOM 0 H GLY A 60 6.851 3.624 4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.727 1.194 3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.383 1.484 4.169 1.00 0.00 H new ATOM 804 N GLU A 61 6.456 1.388 6.876 1.00 0.00 N ATOM 805 CA GLU A 61 6.323 0.695 8.148 1.00 0.00 C ATOM 806 C GLU A 61 4.862 0.437 8.500 1.00 0.00 C ATOM 807 O GLU A 61 4.560 -0.473 9.266 1.00 0.00 O ATOM 808 CB GLU A 61 7.016 1.476 9.260 1.00 0.00 C ATOM 809 CG GLU A 61 8.373 0.904 9.626 1.00 0.00 C ATOM 810 CD GLU A 61 8.261 -0.494 10.203 1.00 0.00 C ATOM 811 OE1 GLU A 61 7.806 -0.625 11.359 1.00 0.00 O ATOM 812 OE2 GLU A 61 8.625 -1.467 9.508 1.00 0.00 O ATOM 0 H GLU A 61 6.835 2.332 6.946 1.00 0.00 H new ATOM 0 HA GLU A 61 6.811 -0.274 8.047 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.137 2.513 8.948 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.379 1.482 10.145 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.008 0.881 8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.859 1.558 10.350 1.00 0.00 H new ATOM 819 N GLY A 62 3.960 1.229 7.934 1.00 0.00 N ATOM 820 CA GLY A 62 2.544 0.983 8.131 1.00 0.00 C ATOM 821 C GLY A 62 2.075 -0.195 7.302 1.00 0.00 C ATOM 822 O GLY A 62 1.428 -1.124 7.807 1.00 0.00 O ATOM 0 H GLY A 62 4.181 2.032 7.346 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.348 0.790 9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.976 1.872 7.859 1.00 0.00 H new ATOM 826 N LEU A 63 2.429 -0.173 6.024 1.00 0.00 N ATOM 827 CA LEU A 63 2.094 -1.262 5.117 1.00 0.00 C ATOM 828 C LEU A 63 2.782 -2.546 5.573 1.00 0.00 C ATOM 829 O LEU A 63 2.178 -3.617 5.606 1.00 0.00 O ATOM 830 CB LEU A 63 2.532 -0.907 3.695 1.00 0.00 C ATOM 831 CG LEU A 63 1.984 0.423 3.169 1.00 0.00 C ATOM 832 CD1 LEU A 63 2.632 0.780 1.846 1.00 0.00 C ATOM 833 CD2 LEU A 63 0.473 0.361 3.020 1.00 0.00 C ATOM 0 H LEU A 63 2.950 0.590 5.591 1.00 0.00 H new ATOM 0 HA LEU A 63 1.015 -1.417 5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.621 -0.874 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.217 -1.705 3.023 1.00 0.00 H new ATOM 0 HG LEU A 63 2.225 1.201 3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.230 1.728 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.710 0.871 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.423 -0.002 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.105 1.316 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.209 -0.430 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.020 0.153 3.989 1.00 0.00 H new ATOM 845 N ASN A 64 4.046 -2.407 5.949 1.00 0.00 N ATOM 846 CA ASN A 64 4.851 -3.523 6.436 1.00 0.00 C ATOM 847 C ASN A 64 4.366 -3.998 7.793 1.00 0.00 C ATOM 848 O ASN A 64 4.661 -5.117 8.199 1.00 0.00 O ATOM 849 CB ASN A 64 6.324 -3.123 6.531 1.00 0.00 C ATOM 850 CG ASN A 64 6.986 -2.984 5.175 1.00 0.00 C ATOM 851 OD1 ASN A 64 6.325 -2.781 4.159 1.00 0.00 O ATOM 852 ND2 ASN A 64 8.304 -3.065 5.155 1.00 0.00 N ATOM 0 H ASN A 64 4.544 -1.517 5.926 1.00 0.00 H new ATOM 0 HA ASN A 64 4.746 -4.340 5.722 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.405 -2.178 7.068 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.861 -3.869 7.117 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.808 -2.958 4.275 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.818 -3.235 6.020 1.00 0.00 H new ATOM 859 N ARG A 65 3.637 -3.142 8.500 1.00 0.00 N ATOM 860 CA ARG A 65 3.008 -3.540 9.753 1.00 0.00 C ATOM 861 C ARG A 65 1.945 -4.586 9.454 1.00 0.00 C ATOM 862 O ARG A 65 1.817 -5.581 10.166 1.00 0.00 O ATOM 863 CB ARG A 65 2.403 -2.322 10.472 1.00 0.00 C ATOM 864 CG ARG A 65 1.861 -2.610 11.870 1.00 0.00 C ATOM 865 CD ARG A 65 0.426 -3.123 11.836 1.00 0.00 C ATOM 866 NE ARG A 65 -0.515 -2.109 11.353 1.00 0.00 N ATOM 867 CZ ARG A 65 -1.818 -2.326 11.159 1.00 0.00 C ATOM 868 NH1 ARG A 65 -2.343 -3.521 11.389 1.00 0.00 N ATOM 869 NH2 ARG A 65 -2.601 -1.336 10.740 1.00 0.00 N ATOM 0 H ARG A 65 3.468 -2.173 8.229 1.00 0.00 H new ATOM 0 HA ARG A 65 3.756 -3.967 10.420 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.164 -1.545 10.545 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.596 -1.920 9.860 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.497 -3.347 12.360 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.906 -1.701 12.470 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.372 -4.002 11.193 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.132 -3.441 12.836 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.151 -1.178 11.152 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.751 -4.284 11.717 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.340 -3.678 11.238 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.206 -0.412 10.567 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.597 -1.501 10.592 1.00 0.00 H new ATOM 883 N TYR A 66 1.199 -4.362 8.377 1.00 0.00 N ATOM 884 CA TYR A 66 0.218 -5.340 7.919 1.00 0.00 C ATOM 885 C TYR A 66 0.920 -6.597 7.397 1.00 0.00 C ATOM 886 O TYR A 66 0.506 -7.721 7.682 1.00 0.00 O ATOM 887 CB TYR A 66 -0.689 -4.726 6.836 1.00 0.00 C ATOM 888 CG TYR A 66 -0.911 -5.619 5.629 1.00 0.00 C ATOM 889 CD1 TYR A 66 -1.781 -6.702 5.680 1.00 0.00 C ATOM 890 CD2 TYR A 66 -0.233 -5.379 4.440 1.00 0.00 C ATOM 891 CE1 TYR A 66 -1.962 -7.520 4.582 1.00 0.00 C ATOM 892 CE2 TYR A 66 -0.413 -6.188 3.340 1.00 0.00 C ATOM 893 CZ TYR A 66 -1.274 -7.257 3.417 1.00 0.00 C ATOM 894 OH TYR A 66 -1.444 -8.066 2.320 1.00 0.00 O ATOM 0 H TYR A 66 1.254 -3.517 7.808 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.409 -5.627 8.763 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.656 -4.488 7.280 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.251 -3.785 6.502 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.323 -6.907 6.591 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.448 -4.543 4.377 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.638 -8.360 4.636 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.119 -5.984 2.423 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.569 -8.366 1.996 1.00 0.00 H new ATOM 904 N ILE A 67 1.988 -6.398 6.636 1.00 0.00 N ATOM 905 CA ILE A 67 2.738 -7.508 6.051 1.00 0.00 C ATOM 906 C ILE A 67 3.453 -8.323 7.129 1.00 0.00 C ATOM 907 O ILE A 67 3.702 -9.518 6.960 1.00 0.00 O ATOM 908 CB ILE A 67 3.776 -6.999 5.025 1.00 0.00 C ATOM 909 CG1 ILE A 67 3.098 -6.133 3.962 1.00 0.00 C ATOM 910 CG2 ILE A 67 4.489 -8.167 4.363 1.00 0.00 C ATOM 911 CD1 ILE A 67 4.070 -5.424 3.045 1.00 0.00 C ATOM 0 H ILE A 67 2.358 -5.475 6.407 1.00 0.00 H new ATOM 0 HA ILE A 67 2.017 -8.148 5.542 1.00 0.00 H new ATOM 0 HB ILE A 67 4.511 -6.394 5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.438 -6.760 3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.471 -5.391 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.216 -7.789 3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.002 -8.757 5.122 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.761 -8.793 3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.517 -4.830 2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.714 -4.770 3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.680 -6.160 2.522 1.00 0.00 H new ATOM 923 N ARG A 68 3.764 -7.670 8.242 1.00 0.00 N ATOM 924 CA ARG A 68 4.478 -8.308 9.336 1.00 0.00 C ATOM 925 C ARG A 68 3.681 -9.494 9.861 1.00 0.00 C ATOM 926 O ARG A 68 4.250 -10.512 10.263 1.00 0.00 O ATOM 927 CB ARG A 68 4.730 -7.308 10.467 1.00 0.00 C ATOM 928 CG ARG A 68 5.941 -7.645 11.320 1.00 0.00 C ATOM 929 CD ARG A 68 7.090 -6.677 11.064 1.00 0.00 C ATOM 930 NE ARG A 68 6.908 -5.408 11.774 1.00 0.00 N ATOM 931 CZ ARG A 68 7.334 -4.221 11.328 1.00 0.00 C ATOM 932 NH1 ARG A 68 7.924 -4.116 10.143 1.00 0.00 N ATOM 933 NH2 ARG A 68 7.162 -3.132 12.069 1.00 0.00 N ATOM 0 H ARG A 68 3.530 -6.691 8.409 1.00 0.00 H new ATOM 0 HA ARG A 68 5.439 -8.662 8.962 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.863 -6.314 10.039 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.847 -7.265 11.105 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.665 -7.614 12.374 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.267 -8.663 11.106 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.028 -7.136 11.377 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.171 -6.485 9.994 1.00 0.00 H new ATOM 0 HE ARG A 68 6.423 -5.431 12.671 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.056 -4.945 9.564 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.245 -3.206 9.812 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.705 -3.201 12.978 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.487 -2.227 11.729 1.00 0.00 H new ATOM 947 N THR A 69 2.361 -9.370 9.816 1.00 0.00 N ATOM 948 CA THR A 69 1.487 -10.427 10.262 1.00 0.00 C ATOM 949 C THR A 69 0.939 -11.179 9.054 1.00 0.00 C ATOM 950 O THR A 69 -0.246 -11.086 8.710 1.00 0.00 O ATOM 951 CB THR A 69 0.348 -9.900 11.177 1.00 0.00 C ATOM 952 OG1 THR A 69 -0.564 -10.960 11.500 1.00 0.00 O ATOM 953 CG2 THR A 69 -0.407 -8.743 10.534 1.00 0.00 C ATOM 0 H THR A 69 1.878 -8.540 9.472 1.00 0.00 H new ATOM 0 HA THR A 69 2.068 -11.118 10.873 1.00 0.00 H new ATOM 0 HB THR A 69 0.811 -9.529 12.092 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.276 -10.614 12.078 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.195 -8.404 11.207 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.283 -7.922 10.340 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.850 -9.075 9.595 1.00 0.00 H new ATOM 961 N SER A 70 1.859 -11.855 8.368 1.00 0.00 N ATOM 962 CA SER A 70 1.533 -12.779 7.284 1.00 0.00 C ATOM 963 C SER A 70 1.256 -12.066 5.961 1.00 0.00 C ATOM 964 O SER A 70 1.845 -12.395 4.930 1.00 0.00 O ATOM 965 CB SER A 70 0.331 -13.640 7.671 1.00 0.00 C ATOM 966 OG SER A 70 0.598 -14.426 8.822 1.00 0.00 O ATOM 0 H SER A 70 2.859 -11.776 8.551 1.00 0.00 H new ATOM 0 HA SER A 70 2.409 -13.409 7.132 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.530 -12.999 7.860 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.067 -14.292 6.838 1.00 0.00 H new ATOM 0 HG SER A 70 -0.192 -14.963 9.042 1.00 0.00 H new ATOM 972 N GLY A 71 0.372 -11.087 5.996 1.00 0.00 N ATOM 973 CA GLY A 71 -0.111 -10.485 4.771 1.00 0.00 C ATOM 974 C GLY A 71 -1.172 -11.350 4.113 1.00 0.00 C ATOM 975 O GLY A 71 -1.602 -12.348 4.689 1.00 0.00 O ATOM 0 H GLY A 71 -0.022 -10.696 6.851 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.524 -9.499 4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.721 -10.339 4.082 1.00 0.00 H new ATOM 979 N ILE A 72 -1.605 -10.964 2.919 1.00 0.00 N ATOM 980 CA ILE A 72 -2.629 -11.716 2.189 1.00 0.00 C ATOM 981 C ILE A 72 -1.980 -12.578 1.094 1.00 0.00 C ATOM 982 O ILE A 72 -2.651 -13.220 0.291 1.00 0.00 O ATOM 983 CB ILE A 72 -3.713 -10.765 1.609 1.00 0.00 C ATOM 984 CG1 ILE A 72 -4.320 -9.926 2.740 1.00 0.00 C ATOM 985 CG2 ILE A 72 -4.821 -11.533 0.897 1.00 0.00 C ATOM 986 CD1 ILE A 72 -5.007 -10.745 3.815 1.00 0.00 C ATOM 0 H ILE A 72 -1.265 -10.135 2.432 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.132 -12.386 2.886 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.229 -10.118 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.532 -9.330 3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.040 -9.227 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.558 -10.831 0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.395 -12.107 0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.304 -12.211 1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.410 -10.079 4.578 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.819 -11.321 3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.287 -11.425 4.270 1.00 0.00 H new ATOM 998 N ARG A 73 -0.649 -12.604 1.101 1.00 0.00 N ATOM 999 CA ARG A 73 0.155 -13.354 0.120 1.00 0.00 C ATOM 1000 C ARG A 73 -0.207 -14.834 0.056 1.00 0.00 C ATOM 1001 O ARG A 73 0.246 -15.550 -0.839 1.00 0.00 O ATOM 1002 CB ARG A 73 1.618 -13.234 0.491 1.00 0.00 C ATOM 1003 CG ARG A 73 1.924 -13.824 1.859 1.00 0.00 C ATOM 1004 CD ARG A 73 3.301 -13.432 2.360 1.00 0.00 C ATOM 1005 NE ARG A 73 4.378 -14.024 1.575 1.00 0.00 N ATOM 1006 CZ ARG A 73 5.660 -13.931 1.913 1.00 0.00 C ATOM 1007 NH1 ARG A 73 5.997 -13.274 3.017 1.00 0.00 N ATOM 1008 NH2 ARG A 73 6.594 -14.498 1.160 1.00 0.00 N ATOM 0 H ARG A 73 -0.087 -12.104 1.790 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.052 -12.923 -0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.223 -13.739 -0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.907 -12.183 0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.171 -13.490 2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.854 -14.911 1.807 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.395 -12.346 2.337 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.405 -13.739 3.401 1.00 0.00 H new ATOM 0 HE ARG A 73 4.136 -14.534 0.726 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.275 -12.847 3.597 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.978 -13.197 3.285 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.329 -15.008 0.317 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.576 -14.424 1.424 1.00 0.00 H new ATOM 1022 N THR A 74 -1.000 -15.287 1.012 1.00 0.00 N ATOM 1023 CA THR A 74 -1.485 -16.655 1.032 1.00 0.00 C ATOM 1024 C THR A 74 -2.327 -16.942 -0.214 1.00 0.00 C ATOM 1025 O THR A 74 -2.657 -18.094 -0.505 1.00 0.00 O ATOM 1026 CB THR A 74 -2.330 -16.899 2.297 1.00 0.00 C ATOM 1027 OG1 THR A 74 -1.723 -16.229 3.412 1.00 0.00 O ATOM 1028 CG2 THR A 74 -2.447 -18.390 2.600 1.00 0.00 C ATOM 0 H THR A 74 -1.325 -14.718 1.794 1.00 0.00 H new ATOM 0 HA THR A 74 -0.626 -17.326 1.039 1.00 0.00 H new ATOM 0 HB THR A 74 -3.332 -16.505 2.124 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.260 -16.382 4.217 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.048 -18.533 3.498 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.923 -18.896 1.760 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.453 -18.808 2.759 1.00 0.00 H new ATOM 1036 N ASP A 75 -2.643 -15.891 -0.965 1.00 0.00 N ATOM 1037 CA ASP A 75 -3.456 -16.029 -2.160 1.00 0.00 C ATOM 1038 C ASP A 75 -3.279 -14.811 -3.043 1.00 0.00 C ATOM 1039 O ASP A 75 -3.255 -13.676 -2.569 1.00 0.00 O ATOM 1040 CB ASP A 75 -4.938 -16.193 -1.807 1.00 0.00 C ATOM 1041 CG ASP A 75 -5.754 -16.809 -2.932 1.00 0.00 C ATOM 1042 OD1 ASP A 75 -5.649 -16.345 -4.083 1.00 0.00 O ATOM 1043 OD2 ASP A 75 -6.498 -17.780 -2.672 1.00 0.00 O ATOM 0 H ASP A 75 -2.346 -14.936 -0.764 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.128 -16.923 -2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.027 -16.817 -0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.355 -15.218 -1.555 1.00 0.00 H new TER 1048 ASP A 75