USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=16 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 33 GLN : amide:sc= 0 X(o=-0.0098,f=-0.27) USER MOD Set 1.2: A 36 HIS : no HD1:sc=-0.00978 X(o=-0.0098,f=-0.07) USER MOD Set 2.1: A 13 THR OG1 : rot -106:sc= 1.67 USER MOD Set 2.2: A 16 GLN : amide:sc= 1.04 K(o=2.7,f=-0.83) USER MOD Single : A 18 GLN :FLIP amide:sc=-0.00613 F(o=-1.1,f=-0.0061) USER MOD Single : A 21 THR OG1 : rot 77:sc= 1.28 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 78:sc= 1.25 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -21:sc= 0.101 USER MOD Single : A 26 ASN : amide:sc= -5.07! C(o=-5.1!,f=-10!) USER MOD Single : A 28 THR OG1 : rot -5:sc= 0.174 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 48 MET CE :methyl -157:sc= -0.219 (180deg=-0.924) USER MOD Single : A 54 ASN :FLIP amide:sc= 0.554 F(o=-0.00085,f=0.55) USER MOD Single : A 64 ASN : amide:sc= -0.0542 K(o=-0.054,f=-2.7!) USER MOD Single : A 66 TYR OH : rot -77:sc= 0.00981 USER MOD Single : A 69 THR OG1 : rot -48:sc= 0.597 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0966 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 11.662 4.008 5.324 1.00 0.00 N ATOM 2 CA GLY A 10 10.868 5.218 5.250 1.00 0.00 C ATOM 3 C GLY A 10 9.760 5.156 4.207 1.00 0.00 C ATOM 4 O GLY A 10 8.924 4.247 4.229 1.00 0.00 O ATOM 0 HA2 GLY A 10 10.426 5.413 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.523 6.059 5.023 1.00 0.00 H new ATOM 8 N PRO A 11 9.719 6.137 3.291 1.00 0.00 N ATOM 9 CA PRO A 11 8.751 6.176 2.199 1.00 0.00 C ATOM 10 C PRO A 11 9.165 5.290 1.026 1.00 0.00 C ATOM 11 O PRO A 11 10.291 4.793 0.972 1.00 0.00 O ATOM 12 CB PRO A 11 8.740 7.654 1.772 1.00 0.00 C ATOM 13 CG PRO A 11 9.711 8.356 2.671 1.00 0.00 C ATOM 14 CD PRO A 11 10.604 7.297 3.249 1.00 0.00 C ATOM 0 HA PRO A 11 7.776 5.804 2.512 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.031 7.759 0.727 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.741 8.080 1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.292 9.091 2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.188 8.895 3.461 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.480 7.118 2.626 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.968 7.568 4.240 1.00 0.00 H new ATOM 22 N PHE A 12 8.262 5.116 0.073 1.00 0.00 N ATOM 23 CA PHE A 12 8.510 4.232 -1.061 1.00 0.00 C ATOM 24 C PHE A 12 8.390 4.976 -2.385 1.00 0.00 C ATOM 25 O PHE A 12 8.247 6.197 -2.415 1.00 0.00 O ATOM 26 CB PHE A 12 7.543 3.041 -1.037 1.00 0.00 C ATOM 27 CG PHE A 12 6.082 3.409 -0.919 1.00 0.00 C ATOM 28 CD1 PHE A 12 5.546 3.782 0.303 1.00 0.00 C ATOM 29 CD2 PHE A 12 5.244 3.369 -2.022 1.00 0.00 C ATOM 30 CE1 PHE A 12 4.210 4.107 0.423 1.00 0.00 C ATOM 31 CE2 PHE A 12 3.903 3.694 -1.904 1.00 0.00 C ATOM 32 CZ PHE A 12 3.389 4.064 -0.681 1.00 0.00 C ATOM 0 H PHE A 12 7.351 5.574 0.060 1.00 0.00 H new ATOM 0 HA PHE A 12 9.532 3.862 -0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.684 2.459 -1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.808 2.393 -0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.183 3.819 1.174 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.641 3.081 -2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.809 4.395 1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.260 3.657 -2.771 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.344 4.320 -0.588 1.00 0.00 H new ATOM 42 N THR A 13 8.474 4.226 -3.475 1.00 0.00 N ATOM 43 CA THR A 13 8.346 4.773 -4.817 1.00 0.00 C ATOM 44 C THR A 13 7.255 4.034 -5.575 1.00 0.00 C ATOM 45 O THR A 13 6.660 3.097 -5.043 1.00 0.00 O ATOM 46 CB THR A 13 9.662 4.628 -5.595 1.00 0.00 C ATOM 47 OG1 THR A 13 9.982 3.236 -5.755 1.00 0.00 O ATOM 48 CG2 THR A 13 10.795 5.320 -4.866 1.00 0.00 C ATOM 0 H THR A 13 8.633 3.219 -3.453 1.00 0.00 H new ATOM 0 HA THR A 13 8.095 5.830 -4.726 1.00 0.00 H new ATOM 0 HB THR A 13 9.535 5.093 -6.573 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.716 2.998 -5.152 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.718 5.205 -5.435 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.565 6.380 -4.759 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.919 4.874 -3.879 1.00 0.00 H new ATOM 56 N ARG A 14 7.014 4.428 -6.822 1.00 0.00 N ATOM 57 CA ARG A 14 6.071 3.716 -7.675 1.00 0.00 C ATOM 58 C ARG A 14 6.587 2.310 -7.924 1.00 0.00 C ATOM 59 O ARG A 14 5.832 1.338 -7.904 1.00 0.00 O ATOM 60 CB ARG A 14 5.911 4.440 -9.010 1.00 0.00 C ATOM 61 CG ARG A 14 4.667 4.038 -9.780 1.00 0.00 C ATOM 62 CD ARG A 14 4.629 4.693 -11.149 1.00 0.00 C ATOM 63 NE ARG A 14 3.433 4.318 -11.902 1.00 0.00 N ATOM 64 CZ ARG A 14 3.437 3.927 -13.178 1.00 0.00 C ATOM 65 NH1 ARG A 14 4.570 3.892 -13.868 1.00 0.00 N ATOM 66 NH2 ARG A 14 2.296 3.591 -13.767 1.00 0.00 N ATOM 0 H ARG A 14 7.458 5.234 -7.262 1.00 0.00 H new ATOM 0 HA ARG A 14 5.102 3.676 -7.178 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.883 5.514 -8.829 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.788 4.243 -9.627 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.641 2.954 -9.892 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.779 4.321 -9.214 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.660 5.776 -11.034 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.517 4.407 -11.713 1.00 0.00 H new ATOM 0 HE ARG A 14 2.535 4.358 -11.420 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.446 4.165 -13.423 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.564 3.592 -14.843 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.421 3.632 -13.245 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.294 3.292 -14.742 1.00 0.00 H new ATOM 80 N ARG A 15 7.892 2.225 -8.151 1.00 0.00 N ATOM 81 CA ARG A 15 8.563 0.948 -8.366 1.00 0.00 C ATOM 82 C ARG A 15 8.366 0.028 -7.164 1.00 0.00 C ATOM 83 O ARG A 15 7.905 -1.105 -7.310 1.00 0.00 O ATOM 84 CB ARG A 15 10.060 1.155 -8.618 1.00 0.00 C ATOM 85 CG ARG A 15 10.805 -0.142 -8.900 1.00 0.00 C ATOM 86 CD ARG A 15 12.309 0.067 -8.959 1.00 0.00 C ATOM 87 NE ARG A 15 12.728 0.897 -10.086 1.00 0.00 N ATOM 88 CZ ARG A 15 13.969 0.903 -10.581 1.00 0.00 C ATOM 89 NH1 ARG A 15 14.900 0.094 -10.074 1.00 0.00 N ATOM 90 NH2 ARG A 15 14.277 1.707 -11.594 1.00 0.00 N ATOM 0 H ARG A 15 8.512 3.034 -8.191 1.00 0.00 H new ATOM 0 HA ARG A 15 8.120 0.482 -9.246 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.190 1.832 -9.462 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.505 1.640 -7.749 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.570 -0.871 -8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.460 -0.560 -9.845 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.642 0.530 -8.030 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.802 -0.903 -9.026 1.00 0.00 H new ATOM 0 HE ARG A 15 12.034 1.506 -10.519 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.666 -0.533 -9.305 1.00 0.00 H new ATOM 0 HH12 ARG A 15 15.846 0.103 -10.456 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.566 2.319 -11.993 1.00 0.00 H new ATOM 0 HH22 ARG A 15 15.224 1.711 -11.972 1.00 0.00 H new ATOM 104 N GLN A 16 8.703 0.528 -5.976 1.00 0.00 N ATOM 105 CA GLN A 16 8.523 -0.243 -4.749 1.00 0.00 C ATOM 106 C GLN A 16 7.057 -0.584 -4.544 1.00 0.00 C ATOM 107 O GLN A 16 6.718 -1.733 -4.284 1.00 0.00 O ATOM 108 CB GLN A 16 9.043 0.521 -3.530 1.00 0.00 C ATOM 109 CG GLN A 16 10.515 0.281 -3.202 1.00 0.00 C ATOM 110 CD GLN A 16 11.461 0.783 -4.272 1.00 0.00 C ATOM 111 OE1 GLN A 16 11.857 1.947 -4.266 1.00 0.00 O ATOM 112 NE2 GLN A 16 11.853 -0.091 -5.179 1.00 0.00 N ATOM 0 H GLN A 16 9.100 1.458 -5.838 1.00 0.00 H new ATOM 0 HA GLN A 16 9.098 -1.163 -4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.892 1.588 -3.696 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.443 0.245 -2.663 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.753 0.771 -2.258 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.677 -0.787 -3.056 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.502 -1.048 -5.150 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.507 0.190 -5.909 1.00 0.00 H new ATOM 121 N ALA A 17 6.195 0.422 -4.672 1.00 0.00 N ATOM 122 CA ALA A 17 4.750 0.232 -4.512 1.00 0.00 C ATOM 123 C ALA A 17 4.242 -0.936 -5.353 1.00 0.00 C ATOM 124 O ALA A 17 3.620 -1.866 -4.833 1.00 0.00 O ATOM 125 CB ALA A 17 3.997 1.501 -4.883 1.00 0.00 C ATOM 0 H ALA A 17 6.470 1.380 -4.887 1.00 0.00 H new ATOM 0 HA ALA A 17 4.567 0.002 -3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.926 1.339 -4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.319 2.317 -4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.206 1.757 -5.922 1.00 0.00 H new ATOM 131 N GLN A 18 4.526 -0.892 -6.649 1.00 0.00 N ATOM 132 CA GLN A 18 4.093 -1.932 -7.575 1.00 0.00 C ATOM 133 C GLN A 18 4.605 -3.311 -7.170 1.00 0.00 C ATOM 134 O GLN A 18 3.895 -4.305 -7.308 1.00 0.00 O ATOM 135 CB GLN A 18 4.560 -1.601 -8.987 1.00 0.00 C ATOM 136 CG GLN A 18 3.697 -0.562 -9.685 1.00 0.00 C ATOM 137 CD GLN A 18 4.202 -0.219 -11.076 1.00 0.00 C ATOM 138 OE1 GLN A 18 5.512 -0.263 -11.257 1.00 0.00 O flip ATOM 139 NE2 GLN A 18 3.421 0.097 -11.976 1.00 0.00 N flip ATOM 0 H GLN A 18 5.059 -0.140 -7.086 1.00 0.00 H new ATOM 0 HA GLN A 18 3.004 -1.963 -7.544 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.587 -1.239 -8.946 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.567 -2.514 -9.582 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.674 -0.933 -9.755 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.666 0.344 -9.080 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.417 0.119 -11.796 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.779 0.337 -12.901 1.00 0.00 H new ATOM 148 N ALA A 19 5.822 -3.364 -6.648 1.00 0.00 N ATOM 149 CA ALA A 19 6.426 -4.625 -6.240 1.00 0.00 C ATOM 150 C ALA A 19 5.675 -5.254 -5.068 1.00 0.00 C ATOM 151 O ALA A 19 5.590 -6.481 -4.951 1.00 0.00 O ATOM 152 CB ALA A 19 7.890 -4.417 -5.881 1.00 0.00 C ATOM 0 H ALA A 19 6.412 -2.546 -6.497 1.00 0.00 H new ATOM 0 HA ALA A 19 6.361 -5.313 -7.083 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.329 -5.368 -5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.426 -4.030 -6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.966 -3.704 -5.060 1.00 0.00 H new ATOM 158 N VAL A 20 5.065 -4.426 -4.233 1.00 0.00 N ATOM 159 CA VAL A 20 4.449 -4.927 -3.022 1.00 0.00 C ATOM 160 C VAL A 20 3.033 -5.301 -3.362 1.00 0.00 C ATOM 161 O VAL A 20 2.429 -6.172 -2.749 1.00 0.00 O ATOM 162 CB VAL A 20 4.446 -3.882 -1.888 1.00 0.00 C ATOM 163 CG1 VAL A 20 4.066 -4.526 -0.563 1.00 0.00 C ATOM 164 CG2 VAL A 20 5.799 -3.202 -1.768 1.00 0.00 C ATOM 0 H VAL A 20 4.986 -3.419 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 20 5.021 -5.782 -2.661 1.00 0.00 H new ATOM 0 HB VAL A 20 3.702 -3.126 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.070 -3.771 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.070 -4.961 -0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.785 -5.308 -0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.768 -2.470 -0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.563 -3.948 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.038 -2.699 -2.705 1.00 0.00 H new ATOM 174 N THR A 21 2.542 -4.648 -4.393 1.00 0.00 N ATOM 175 CA THR A 21 1.203 -4.855 -4.868 1.00 0.00 C ATOM 176 C THR A 21 1.132 -6.068 -5.793 1.00 0.00 C ATOM 177 O THR A 21 0.131 -6.786 -5.825 1.00 0.00 O ATOM 178 CB THR A 21 0.710 -3.608 -5.601 1.00 0.00 C ATOM 179 OG1 THR A 21 1.007 -2.431 -4.832 1.00 0.00 O ATOM 180 CG2 THR A 21 -0.771 -3.700 -5.794 1.00 0.00 C ATOM 0 H THR A 21 3.069 -3.955 -4.925 1.00 0.00 H new ATOM 0 HA THR A 21 0.561 -5.044 -4.008 1.00 0.00 H new ATOM 0 HB THR A 21 1.212 -3.544 -6.566 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.958 -2.214 -4.921 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.126 -2.812 -6.317 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.007 -4.586 -6.383 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.261 -3.769 -4.823 1.00 0.00 H new ATOM 188 N THR A 22 2.200 -6.304 -6.549 1.00 0.00 N ATOM 189 CA THR A 22 2.281 -7.512 -7.344 1.00 0.00 C ATOM 190 C THR A 22 2.468 -8.698 -6.406 1.00 0.00 C ATOM 191 O THR A 22 2.109 -9.826 -6.736 1.00 0.00 O ATOM 192 CB THR A 22 3.414 -7.462 -8.404 1.00 0.00 C ATOM 193 OG1 THR A 22 3.275 -8.555 -9.323 1.00 0.00 O ATOM 194 CG2 THR A 22 4.793 -7.517 -7.761 1.00 0.00 C ATOM 0 H THR A 22 3.006 -5.683 -6.624 1.00 0.00 H new ATOM 0 HA THR A 22 1.352 -7.614 -7.905 1.00 0.00 H new ATOM 0 HB THR A 22 3.324 -6.514 -8.935 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.993 -8.515 -9.989 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.558 -7.480 -8.537 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.915 -6.667 -7.089 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.894 -8.444 -7.196 1.00 0.00 H new ATOM 202 N THR A 23 3.029 -8.431 -5.227 1.00 0.00 N ATOM 203 CA THR A 23 3.064 -9.423 -4.170 1.00 0.00 C ATOM 204 C THR A 23 1.688 -9.554 -3.504 1.00 0.00 C ATOM 205 O THR A 23 1.112 -10.640 -3.463 1.00 0.00 O ATOM 206 CB THR A 23 4.127 -9.076 -3.109 1.00 0.00 C ATOM 207 OG1 THR A 23 5.394 -8.874 -3.746 1.00 0.00 O ATOM 208 CG2 THR A 23 4.249 -10.189 -2.076 1.00 0.00 C ATOM 0 H THR A 23 3.462 -7.539 -4.987 1.00 0.00 H new ATOM 0 HA THR A 23 3.332 -10.376 -4.625 1.00 0.00 H new ATOM 0 HB THR A 23 3.819 -8.163 -2.599 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.416 -7.984 -4.155 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.005 -9.920 -1.339 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.290 -10.329 -1.577 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.539 -11.115 -2.572 1.00 0.00 H new ATOM 216 N TYR A 24 1.158 -8.453 -2.985 1.00 0.00 N ATOM 217 CA TYR A 24 -0.139 -8.463 -2.349 1.00 0.00 C ATOM 218 C TYR A 24 -1.114 -7.644 -3.178 1.00 0.00 C ATOM 219 O TYR A 24 -1.051 -6.422 -3.186 1.00 0.00 O ATOM 220 CB TYR A 24 -0.010 -7.876 -0.947 1.00 0.00 C ATOM 221 CG TYR A 24 1.059 -8.554 -0.123 1.00 0.00 C ATOM 222 CD1 TYR A 24 1.007 -9.918 0.125 1.00 0.00 C ATOM 223 CD2 TYR A 24 2.139 -7.837 0.375 1.00 0.00 C ATOM 224 CE1 TYR A 24 1.995 -10.548 0.855 1.00 0.00 C ATOM 225 CE2 TYR A 24 3.131 -8.461 1.105 1.00 0.00 C ATOM 226 CZ TYR A 24 3.057 -9.816 1.340 1.00 0.00 C ATOM 227 OH TYR A 24 4.043 -10.439 2.068 1.00 0.00 O ATOM 0 H TYR A 24 1.615 -7.541 -2.996 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.513 -9.484 -2.276 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.217 -6.813 -1.023 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.967 -7.962 -0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.180 -10.497 -0.259 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.204 -6.775 0.188 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.936 -11.609 1.045 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.962 -7.889 1.490 1.00 0.00 H new ATOM 0 HH TYR A 24 4.718 -9.781 2.334 1.00 0.00 H new ATOM 237 N SER A 25 -2.011 -8.306 -3.882 1.00 0.00 N ATOM 238 CA SER A 25 -2.928 -7.611 -4.757 1.00 0.00 C ATOM 239 C SER A 25 -4.162 -7.164 -3.980 1.00 0.00 C ATOM 240 O SER A 25 -5.169 -6.747 -4.553 1.00 0.00 O ATOM 241 CB SER A 25 -3.289 -8.516 -5.919 1.00 0.00 C ATOM 242 OG SER A 25 -2.115 -8.942 -6.593 1.00 0.00 O ATOM 0 H SER A 25 -2.123 -9.320 -3.864 1.00 0.00 H new ATOM 0 HA SER A 25 -2.456 -6.713 -5.156 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.843 -9.382 -5.556 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.943 -7.987 -6.612 1.00 0.00 H new ATOM 0 HG SER A 25 -1.383 -8.320 -6.400 1.00 0.00 H new ATOM 248 N ASN A 26 -4.060 -7.267 -2.663 1.00 0.00 N ATOM 249 CA ASN A 26 -5.044 -6.706 -1.757 1.00 0.00 C ATOM 250 C ASN A 26 -4.652 -5.270 -1.437 1.00 0.00 C ATOM 251 O ASN A 26 -5.386 -4.537 -0.771 1.00 0.00 O ATOM 252 CB ASN A 26 -5.126 -7.542 -0.479 1.00 0.00 C ATOM 253 CG ASN A 26 -3.803 -7.610 0.260 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.906 -8.364 -0.119 1.00 0.00 O ATOM 255 ND2 ASN A 26 -3.687 -6.861 1.342 1.00 0.00 N ATOM 0 H ASN A 26 -3.290 -7.744 -2.194 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.028 -6.717 -2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.884 -7.119 0.180 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.450 -8.552 -0.730 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.831 -6.895 1.896 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.453 -6.249 1.623 1.00 0.00 H new ATOM 262 N ILE A 27 -3.469 -4.889 -1.906 1.00 0.00 N ATOM 263 CA ILE A 27 -3.017 -3.514 -1.823 1.00 0.00 C ATOM 264 C ILE A 27 -3.627 -2.743 -2.989 1.00 0.00 C ATOM 265 O ILE A 27 -3.753 -3.284 -4.088 1.00 0.00 O ATOM 266 CB ILE A 27 -1.473 -3.399 -1.891 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.788 -4.466 -1.024 1.00 0.00 C ATOM 268 CG2 ILE A 27 -1.028 -2.001 -1.480 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.683 -4.207 -0.784 1.00 0.00 C ATOM 0 H ILE A 27 -2.804 -5.522 -2.350 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.333 -3.105 -0.863 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.169 -3.574 -2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.299 -4.522 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.903 -5.438 -1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.059 -1.935 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.469 -1.266 -2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.355 -1.800 -0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.096 -5.003 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.208 -4.181 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.806 -3.251 -0.276 1.00 0.00 H new ATOM 281 N THR A 28 -4.015 -1.499 -2.766 1.00 0.00 N ATOM 282 CA THR A 28 -4.704 -0.738 -3.798 1.00 0.00 C ATOM 283 C THR A 28 -4.160 0.676 -3.889 1.00 0.00 C ATOM 284 O THR A 28 -4.025 1.365 -2.881 1.00 0.00 O ATOM 285 CB THR A 28 -6.232 -0.697 -3.556 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.517 -0.435 -2.176 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.890 -2.003 -3.972 1.00 0.00 C ATOM 0 H THR A 28 -3.868 -0.997 -1.890 1.00 0.00 H new ATOM 0 HA THR A 28 -4.521 -1.249 -4.743 1.00 0.00 H new ATOM 0 HB THR A 28 -6.640 0.108 -4.167 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.679 -0.412 -1.668 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.963 -1.944 -3.790 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.711 -2.179 -5.033 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.468 -2.824 -3.392 1.00 0.00 H new ATOM 295 N LEU A 29 -3.833 1.099 -5.096 1.00 0.00 N ATOM 296 CA LEU A 29 -3.316 2.436 -5.312 1.00 0.00 C ATOM 297 C LEU A 29 -4.481 3.401 -5.482 1.00 0.00 C ATOM 298 O LEU A 29 -5.281 3.267 -6.408 1.00 0.00 O ATOM 299 CB LEU A 29 -2.392 2.450 -6.541 1.00 0.00 C ATOM 300 CG LEU A 29 -1.410 3.628 -6.628 1.00 0.00 C ATOM 301 CD1 LEU A 29 -0.314 3.328 -7.642 1.00 0.00 C ATOM 302 CD2 LEU A 29 -2.130 4.913 -7.007 1.00 0.00 C ATOM 0 H LEU A 29 -3.917 0.535 -5.942 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.727 2.752 -4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.819 1.523 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.012 2.452 -7.438 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.960 3.764 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.375 4.171 -7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.229 2.434 -7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.761 3.164 -8.623 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.411 5.730 -7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.611 4.788 -7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.884 5.143 -6.255 1.00 0.00 H new ATOM 314 N GLU A 30 -4.584 4.352 -4.571 1.00 0.00 N ATOM 315 CA GLU A 30 -5.658 5.327 -4.595 1.00 0.00 C ATOM 316 C GLU A 30 -5.115 6.745 -4.632 1.00 0.00 C ATOM 317 O GLU A 30 -3.911 6.971 -4.490 1.00 0.00 O ATOM 318 CB GLU A 30 -6.549 5.185 -3.364 1.00 0.00 C ATOM 319 CG GLU A 30 -7.479 3.987 -3.385 1.00 0.00 C ATOM 320 CD GLU A 30 -8.378 3.958 -2.168 1.00 0.00 C ATOM 321 OE1 GLU A 30 -8.575 5.032 -1.545 1.00 0.00 O ATOM 322 OE2 GLU A 30 -8.874 2.871 -1.812 1.00 0.00 O ATOM 0 H GLU A 30 -3.929 4.470 -3.798 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.239 5.137 -5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.915 5.119 -2.480 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.148 6.090 -3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.089 4.015 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.891 3.070 -3.426 1.00 0.00 H new ATOM 329 N ASP A 31 -6.035 7.687 -4.796 1.00 0.00 N ATOM 330 CA ASP A 31 -5.732 9.113 -4.790 1.00 0.00 C ATOM 331 C ASP A 31 -4.669 9.458 -5.822 1.00 0.00 C ATOM 332 O ASP A 31 -3.569 9.893 -5.486 1.00 0.00 O ATOM 333 CB ASP A 31 -5.311 9.584 -3.395 1.00 0.00 C ATOM 334 CG ASP A 31 -5.889 10.946 -3.066 1.00 0.00 C ATOM 335 OD1 ASP A 31 -7.085 11.011 -2.704 1.00 0.00 O ATOM 336 OD2 ASP A 31 -5.163 11.952 -3.161 1.00 0.00 O ATOM 0 H ASP A 31 -7.024 7.480 -4.939 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.645 9.642 -5.062 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.641 8.859 -2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.223 9.627 -3.338 1.00 0.00 H new ATOM 341 N ASP A 32 -5.008 9.242 -7.083 1.00 0.00 N ATOM 342 CA ASP A 32 -4.102 9.500 -8.183 1.00 0.00 C ATOM 343 C ASP A 32 -4.089 10.977 -8.544 1.00 0.00 C ATOM 344 O ASP A 32 -4.973 11.454 -9.256 1.00 0.00 O ATOM 345 CB ASP A 32 -4.518 8.700 -9.417 1.00 0.00 C ATOM 346 CG ASP A 32 -4.330 7.206 -9.271 1.00 0.00 C ATOM 347 OD1 ASP A 32 -5.209 6.542 -8.676 1.00 0.00 O ATOM 348 OD2 ASP A 32 -3.318 6.682 -9.784 1.00 0.00 O ATOM 0 H ASP A 32 -5.919 8.883 -7.369 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.105 9.197 -7.863 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.566 8.905 -9.634 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.941 9.047 -10.274 1.00 0.00 H new ATOM 353 N GLN A 33 -3.109 11.708 -8.036 1.00 0.00 N ATOM 354 CA GLN A 33 -2.901 13.079 -8.477 1.00 0.00 C ATOM 355 C GLN A 33 -1.658 13.144 -9.357 1.00 0.00 C ATOM 356 O GLN A 33 -1.388 14.151 -10.007 1.00 0.00 O ATOM 357 CB GLN A 33 -2.747 14.038 -7.293 1.00 0.00 C ATOM 358 CG GLN A 33 -2.898 15.498 -7.696 1.00 0.00 C ATOM 359 CD GLN A 33 -2.466 16.474 -6.624 1.00 0.00 C ATOM 360 OE1 GLN A 33 -2.535 16.192 -5.427 1.00 0.00 O ATOM 361 NE2 GLN A 33 -2.032 17.649 -7.053 1.00 0.00 N ATOM 0 H GLN A 33 -2.453 11.381 -7.327 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.779 13.389 -9.044 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.492 13.796 -6.535 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.768 13.891 -6.836 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.312 15.679 -8.597 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.941 15.689 -7.950 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.990 17.843 -8.054 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.739 18.360 -6.383 1.00 0.00 H new ATOM 370 N GLY A 34 -0.907 12.055 -9.375 1.00 0.00 N ATOM 371 CA GLY A 34 0.329 12.017 -10.127 1.00 0.00 C ATOM 372 C GLY A 34 1.531 11.938 -9.217 1.00 0.00 C ATOM 373 O GLY A 34 2.055 10.855 -8.964 1.00 0.00 O ATOM 0 H GLY A 34 -1.133 11.192 -8.880 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.322 11.157 -10.797 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.403 12.907 -10.752 1.00 0.00 H new ATOM 377 N SER A 35 1.955 13.083 -8.699 1.00 0.00 N ATOM 378 CA SER A 35 3.067 13.129 -7.765 1.00 0.00 C ATOM 379 C SER A 35 2.614 12.667 -6.385 1.00 0.00 C ATOM 380 O SER A 35 3.424 12.297 -5.537 1.00 0.00 O ATOM 381 CB SER A 35 3.631 14.546 -7.696 1.00 0.00 C ATOM 382 OG SER A 35 3.992 15.013 -8.987 1.00 0.00 O ATOM 0 H SER A 35 1.544 13.992 -8.911 1.00 0.00 H new ATOM 0 HA SER A 35 3.852 12.457 -8.113 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.891 15.215 -7.257 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.503 14.563 -7.042 1.00 0.00 H new ATOM 0 HG SER A 35 4.349 15.923 -8.918 1.00 0.00 H new ATOM 388 N HIS A 36 1.306 12.689 -6.175 1.00 0.00 N ATOM 389 CA HIS A 36 0.724 12.213 -4.933 1.00 0.00 C ATOM 390 C HIS A 36 -0.152 11.001 -5.202 1.00 0.00 C ATOM 391 O HIS A 36 -0.886 10.966 -6.197 1.00 0.00 O ATOM 392 CB HIS A 36 -0.106 13.306 -4.252 1.00 0.00 C ATOM 393 CG HIS A 36 0.692 14.463 -3.735 1.00 0.00 C ATOM 394 ND1 HIS A 36 1.897 14.318 -3.082 1.00 0.00 N ATOM 395 CD2 HIS A 36 0.442 15.794 -3.766 1.00 0.00 C ATOM 396 CE1 HIS A 36 2.349 15.506 -2.733 1.00 0.00 C ATOM 397 NE2 HIS A 36 1.489 16.418 -3.135 1.00 0.00 N ATOM 0 H HIS A 36 0.627 13.033 -6.853 1.00 0.00 H new ATOM 0 HA HIS A 36 1.539 11.936 -4.265 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.844 13.679 -4.962 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.657 12.862 -3.423 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.420 16.274 -4.205 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.271 15.699 -2.205 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.585 17.424 -3.000 1.00 0.00 H new ATOM 406 N PHE A 37 -0.042 10.006 -4.329 1.00 0.00 N ATOM 407 CA PHE A 37 -0.880 8.815 -4.383 1.00 0.00 C ATOM 408 C PHE A 37 -0.729 8.033 -3.085 1.00 0.00 C ATOM 409 O PHE A 37 0.268 8.191 -2.374 1.00 0.00 O ATOM 410 CB PHE A 37 -0.529 7.934 -5.594 1.00 0.00 C ATOM 411 CG PHE A 37 0.894 7.439 -5.634 1.00 0.00 C ATOM 412 CD1 PHE A 37 1.899 8.217 -6.190 1.00 0.00 C ATOM 413 CD2 PHE A 37 1.223 6.189 -5.130 1.00 0.00 C ATOM 414 CE1 PHE A 37 3.201 7.760 -6.239 1.00 0.00 C ATOM 415 CE2 PHE A 37 2.523 5.726 -5.178 1.00 0.00 C ATOM 416 CZ PHE A 37 3.513 6.512 -5.734 1.00 0.00 C ATOM 0 H PHE A 37 0.632 10.003 -3.563 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.918 9.125 -4.500 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.197 7.073 -5.603 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.726 8.500 -6.505 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.660 9.192 -6.589 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.452 5.570 -4.695 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.975 8.377 -6.671 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.765 4.751 -4.781 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.530 6.152 -5.774 1.00 0.00 H new ATOM 426 N ARG A 38 -1.721 7.219 -2.759 1.00 0.00 N ATOM 427 CA ARG A 38 -1.669 6.417 -1.537 1.00 0.00 C ATOM 428 C ARG A 38 -1.962 4.953 -1.831 1.00 0.00 C ATOM 429 O ARG A 38 -2.581 4.628 -2.840 1.00 0.00 O ATOM 430 CB ARG A 38 -2.680 6.942 -0.517 1.00 0.00 C ATOM 431 CG ARG A 38 -4.121 6.764 -0.963 1.00 0.00 C ATOM 432 CD ARG A 38 -5.105 7.343 0.038 1.00 0.00 C ATOM 433 NE ARG A 38 -6.491 7.086 -0.361 1.00 0.00 N ATOM 434 CZ ARG A 38 -7.501 7.918 -0.123 1.00 0.00 C ATOM 435 NH1 ARG A 38 -7.293 9.063 0.522 1.00 0.00 N ATOM 436 NH2 ARG A 38 -8.720 7.598 -0.533 1.00 0.00 N ATOM 0 H ARG A 38 -2.567 7.094 -3.315 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.662 6.497 -1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.533 6.425 0.431 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.490 8.000 -0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.263 7.246 -1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.328 5.703 -1.102 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.922 6.910 1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.944 8.417 0.128 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.694 6.215 -0.852 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.354 9.307 0.837 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.072 9.696 0.701 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.878 6.720 -1.027 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.500 8.230 -0.355 1.00 0.00 H new ATOM 450 N LEU A 39 -1.522 4.074 -0.945 1.00 0.00 N ATOM 451 CA LEU A 39 -1.853 2.664 -1.056 1.00 0.00 C ATOM 452 C LEU A 39 -2.737 2.247 0.102 1.00 0.00 C ATOM 453 O LEU A 39 -2.402 2.456 1.269 1.00 0.00 O ATOM 454 CB LEU A 39 -0.601 1.793 -1.085 1.00 0.00 C ATOM 455 CG LEU A 39 0.377 2.095 -2.209 1.00 0.00 C ATOM 456 CD1 LEU A 39 1.648 1.286 -2.024 1.00 0.00 C ATOM 457 CD2 LEU A 39 -0.251 1.793 -3.559 1.00 0.00 C ATOM 0 H LEU A 39 -0.937 4.311 -0.144 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.386 2.521 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.080 1.903 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.906 0.750 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 39 0.627 3.155 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.342 1.509 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.108 1.544 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.407 0.223 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.464 2.015 -4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.527 0.739 -3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.142 2.407 -3.692 1.00 0.00 H new ATOM 469 N VAL A 40 -3.873 1.684 -0.233 1.00 0.00 N ATOM 470 CA VAL A 40 -4.801 1.172 0.756 1.00 0.00 C ATOM 471 C VAL A 40 -4.707 -0.342 0.815 1.00 0.00 C ATOM 472 O VAL A 40 -4.855 -1.023 -0.196 1.00 0.00 O ATOM 473 CB VAL A 40 -6.253 1.583 0.437 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.212 1.070 1.501 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.354 3.091 0.300 1.00 0.00 C ATOM 0 H VAL A 40 -4.183 1.566 -1.197 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.529 1.601 1.721 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.538 1.129 -0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.229 1.374 1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.159 -0.018 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.937 1.486 2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.384 3.368 0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.047 3.563 1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.703 3.427 -0.507 1.00 0.00 H new ATOM 485 N VAL A 41 -4.441 -0.865 1.992 1.00 0.00 N ATOM 486 CA VAL A 41 -4.334 -2.296 2.177 1.00 0.00 C ATOM 487 C VAL A 41 -5.677 -2.856 2.624 1.00 0.00 C ATOM 488 O VAL A 41 -6.145 -2.574 3.733 1.00 0.00 O ATOM 489 CB VAL A 41 -3.252 -2.667 3.208 1.00 0.00 C ATOM 490 CG1 VAL A 41 -2.872 -4.124 3.052 1.00 0.00 C ATOM 491 CG2 VAL A 41 -2.030 -1.774 3.061 1.00 0.00 C ATOM 0 H VAL A 41 -4.294 -0.317 2.840 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.044 -2.731 1.221 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.657 -2.512 4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.106 -4.381 3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.751 -4.748 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.485 -4.293 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.281 -2.057 3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.613 -1.889 2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.318 -0.734 3.216 1.00 0.00 H new ATOM 501 N ARG A 42 -6.304 -3.618 1.745 1.00 0.00 N ATOM 502 CA ARG A 42 -7.611 -4.184 2.022 1.00 0.00 C ATOM 503 C ARG A 42 -7.478 -5.666 2.344 1.00 0.00 C ATOM 504 O ARG A 42 -6.411 -6.251 2.154 1.00 0.00 O ATOM 505 CB ARG A 42 -8.533 -3.965 0.822 1.00 0.00 C ATOM 506 CG ARG A 42 -8.604 -2.510 0.384 1.00 0.00 C ATOM 507 CD ARG A 42 -9.519 -2.325 -0.813 1.00 0.00 C ATOM 508 NE ARG A 42 -9.488 -0.950 -1.326 1.00 0.00 N ATOM 509 CZ ARG A 42 -10.349 -0.468 -2.227 1.00 0.00 C ATOM 510 NH1 ARG A 42 -11.348 -1.226 -2.660 1.00 0.00 N ATOM 511 NH2 ARG A 42 -10.229 0.778 -2.672 1.00 0.00 N ATOM 0 H ARG A 42 -5.926 -3.860 0.829 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.047 -3.685 2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.184 -4.573 -0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.535 -4.312 1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.961 -1.898 1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.604 -2.156 0.135 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.223 -3.013 -1.605 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.540 -2.583 -0.531 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.764 -0.324 -0.973 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.458 -2.176 -2.305 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.006 -0.859 -3.348 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.476 1.373 -2.326 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.890 1.140 -3.360 1.00 0.00 H new ATOM 525 N ASP A 43 -8.547 -6.263 2.850 1.00 0.00 N ATOM 526 CA ASP A 43 -8.532 -7.680 3.197 1.00 0.00 C ATOM 527 C ASP A 43 -9.135 -8.509 2.066 1.00 0.00 C ATOM 528 O ASP A 43 -9.354 -8.003 0.965 1.00 0.00 O ATOM 529 CB ASP A 43 -9.302 -7.930 4.499 1.00 0.00 C ATOM 530 CG ASP A 43 -10.803 -8.016 4.296 1.00 0.00 C ATOM 531 OD1 ASP A 43 -11.352 -7.206 3.530 1.00 0.00 O ATOM 532 OD2 ASP A 43 -11.429 -8.926 4.875 1.00 0.00 O ATOM 0 H ASP A 43 -9.434 -5.792 3.030 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.495 -7.983 3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.949 -8.857 4.951 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.082 -7.128 5.204 1.00 0.00 H new ATOM 537 N THR A 44 -9.435 -9.773 2.351 1.00 0.00 N ATOM 538 CA THR A 44 -9.938 -10.690 1.338 1.00 0.00 C ATOM 539 C THR A 44 -11.360 -10.338 0.903 1.00 0.00 C ATOM 540 O THR A 44 -11.828 -10.786 -0.144 1.00 0.00 O ATOM 541 CB THR A 44 -9.899 -12.145 1.845 1.00 0.00 C ATOM 542 OG1 THR A 44 -10.412 -12.217 3.185 1.00 0.00 O ATOM 543 CG2 THR A 44 -8.480 -12.686 1.812 1.00 0.00 C ATOM 0 H THR A 44 -9.337 -10.185 3.279 1.00 0.00 H new ATOM 0 HA THR A 44 -9.283 -10.592 0.472 1.00 0.00 H new ATOM 0 HB THR A 44 -10.522 -12.752 1.188 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.384 -13.146 3.496 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.474 -13.714 2.174 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.104 -12.659 0.789 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.842 -12.074 2.449 1.00 0.00 H new ATOM 551 N GLU A 45 -12.043 -9.534 1.706 1.00 0.00 N ATOM 552 CA GLU A 45 -13.396 -9.117 1.386 1.00 0.00 C ATOM 553 C GLU A 45 -13.367 -7.790 0.638 1.00 0.00 C ATOM 554 O GLU A 45 -14.299 -7.454 -0.095 1.00 0.00 O ATOM 555 CB GLU A 45 -14.227 -8.982 2.662 1.00 0.00 C ATOM 556 CG GLU A 45 -15.721 -8.940 2.405 1.00 0.00 C ATOM 557 CD GLU A 45 -16.535 -9.091 3.669 1.00 0.00 C ATOM 558 OE1 GLU A 45 -16.603 -10.213 4.209 1.00 0.00 O ATOM 559 OE2 GLU A 45 -17.129 -8.095 4.121 1.00 0.00 O ATOM 0 H GLU A 45 -11.680 -9.159 2.583 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.855 -9.874 0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.003 -9.819 3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.930 -8.073 3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.976 -7.996 1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.988 -9.735 1.709 1.00 0.00 H new ATOM 566 N GLY A 46 -12.281 -7.051 0.818 1.00 0.00 N ATOM 567 CA GLY A 46 -12.157 -5.753 0.194 1.00 0.00 C ATOM 568 C GLY A 46 -12.334 -4.630 1.194 1.00 0.00 C ATOM 569 O GLY A 46 -12.515 -3.472 0.817 1.00 0.00 O ATOM 0 H GLY A 46 -11.482 -7.330 1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.178 -5.669 -0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.901 -5.657 -0.596 1.00 0.00 H new ATOM 573 N ARG A 47 -12.279 -4.977 2.473 1.00 0.00 N ATOM 574 CA ARG A 47 -12.400 -4.008 3.540 1.00 0.00 C ATOM 575 C ARG A 47 -11.095 -3.244 3.684 1.00 0.00 C ATOM 576 O ARG A 47 -10.032 -3.847 3.838 1.00 0.00 O ATOM 577 CB ARG A 47 -12.727 -4.712 4.861 1.00 0.00 C ATOM 578 CG ARG A 47 -13.959 -5.605 4.816 1.00 0.00 C ATOM 579 CD ARG A 47 -15.206 -4.826 4.447 1.00 0.00 C ATOM 580 NE ARG A 47 -16.419 -5.607 4.657 1.00 0.00 N ATOM 581 CZ ARG A 47 -17.545 -5.126 5.174 1.00 0.00 C ATOM 582 NH1 ARG A 47 -17.613 -3.869 5.601 1.00 0.00 N ATOM 583 NH2 ARG A 47 -18.600 -5.919 5.279 1.00 0.00 N ATOM 0 H ARG A 47 -12.149 -5.937 2.793 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.206 -3.316 3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.869 -5.314 5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.870 -3.957 5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.802 -6.404 4.092 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.100 -6.078 5.788 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.254 -3.915 5.043 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.147 -4.521 3.402 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.402 -6.591 4.389 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.796 -3.263 5.534 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -18.483 -3.511 5.996 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -18.543 -6.888 4.965 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -19.470 -5.561 5.674 1.00 0.00 H new ATOM 597 N MET A 48 -11.168 -1.924 3.612 1.00 0.00 N ATOM 598 CA MET A 48 -9.995 -1.088 3.818 1.00 0.00 C ATOM 599 C MET A 48 -9.562 -1.150 5.274 1.00 0.00 C ATOM 600 O MET A 48 -10.217 -0.596 6.157 1.00 0.00 O ATOM 601 CB MET A 48 -10.254 0.363 3.395 1.00 0.00 C ATOM 602 CG MET A 48 -11.570 0.952 3.901 1.00 0.00 C ATOM 603 SD MET A 48 -13.022 0.276 3.062 1.00 0.00 S ATOM 604 CE MET A 48 -12.718 0.803 1.376 1.00 0.00 C ATOM 0 H MET A 48 -12.026 -1.409 3.413 1.00 0.00 H new ATOM 0 HA MET A 48 -9.192 -1.473 3.189 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.433 0.983 3.754 1.00 0.00 H new ATOM 0 HB3 MET A 48 -10.243 0.417 2.306 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.657 0.765 4.971 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.552 2.034 3.767 1.00 0.00 H new ATOM 0 HE1 MET A 48 -13.661 0.837 0.830 1.00 0.00 H new ATOM 0 HE2 MET A 48 -12.265 1.795 1.381 1.00 0.00 H new ATOM 0 HE3 MET A 48 -12.043 0.098 0.891 1.00 0.00 H new ATOM 614 N VAL A 49 -8.475 -1.857 5.517 1.00 0.00 N ATOM 615 CA VAL A 49 -7.976 -2.040 6.868 1.00 0.00 C ATOM 616 C VAL A 49 -6.951 -0.967 7.206 1.00 0.00 C ATOM 617 O VAL A 49 -6.861 -0.512 8.348 1.00 0.00 O ATOM 618 CB VAL A 49 -7.338 -3.439 7.044 1.00 0.00 C ATOM 619 CG1 VAL A 49 -6.916 -3.672 8.491 1.00 0.00 C ATOM 620 CG2 VAL A 49 -8.296 -4.527 6.584 1.00 0.00 C ATOM 0 H VAL A 49 -7.919 -2.315 4.795 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.824 -1.957 7.548 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.444 -3.481 6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.471 -4.663 8.585 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.186 -2.917 8.783 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.789 -3.603 9.140 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.829 -5.503 6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.211 -4.480 7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.536 -4.379 5.531 1.00 0.00 H new ATOM 630 N TRP A 50 -6.200 -0.542 6.203 1.00 0.00 N ATOM 631 CA TRP A 50 -5.125 0.416 6.410 1.00 0.00 C ATOM 632 C TRP A 50 -4.830 1.152 5.111 1.00 0.00 C ATOM 633 O TRP A 50 -5.030 0.604 4.036 1.00 0.00 O ATOM 634 CB TRP A 50 -3.873 -0.321 6.913 1.00 0.00 C ATOM 635 CG TRP A 50 -2.660 0.551 7.062 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.611 0.652 6.192 1.00 0.00 C ATOM 637 CD2 TRP A 50 -2.373 1.442 8.144 1.00 0.00 C ATOM 638 NE1 TRP A 50 -0.690 1.552 6.668 1.00 0.00 N ATOM 639 CE2 TRP A 50 -1.135 2.050 7.864 1.00 0.00 C ATOM 640 CE3 TRP A 50 -3.043 1.788 9.320 1.00 0.00 C ATOM 641 CZ2 TRP A 50 -0.552 2.981 8.720 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -2.464 2.712 10.168 1.00 0.00 C ATOM 643 CH2 TRP A 50 -1.230 3.301 9.863 1.00 0.00 C ATOM 0 H TRP A 50 -6.315 -0.845 5.236 1.00 0.00 H new ATOM 0 HA TRP A 50 -5.426 1.149 7.159 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.098 -0.778 7.877 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.641 -1.131 6.222 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.520 0.104 5.266 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.183 1.808 6.207 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -3.996 1.341 9.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.401 3.434 8.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.971 2.985 11.082 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.806 4.023 10.545 1.00 0.00 H new ATOM 654 N ARG A 51 -4.394 2.398 5.203 1.00 0.00 N ATOM 655 CA ARG A 51 -3.939 3.126 4.029 1.00 0.00 C ATOM 656 C ARG A 51 -2.813 4.075 4.410 1.00 0.00 C ATOM 657 O ARG A 51 -2.816 4.649 5.501 1.00 0.00 O ATOM 658 CB ARG A 51 -5.089 3.895 3.363 1.00 0.00 C ATOM 659 CG ARG A 51 -5.579 5.106 4.146 1.00 0.00 C ATOM 660 CD ARG A 51 -6.838 5.699 3.533 1.00 0.00 C ATOM 661 NE ARG A 51 -8.029 4.930 3.887 1.00 0.00 N ATOM 662 CZ ARG A 51 -9.095 4.780 3.100 1.00 0.00 C ATOM 663 NH1 ARG A 51 -9.109 5.295 1.876 1.00 0.00 N ATOM 664 NH2 ARG A 51 -10.149 4.110 3.545 1.00 0.00 N ATOM 0 H ARG A 51 -4.345 2.925 6.075 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.566 2.402 3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.765 4.224 2.376 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.926 3.213 3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.778 4.816 5.178 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.796 5.863 4.173 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.957 6.728 3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.734 5.730 2.448 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.046 4.476 4.800 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.300 5.811 1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.929 5.175 1.282 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.141 3.713 4.484 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.967 3.992 2.948 1.00 0.00 H new ATOM 678 N ALA A 52 -1.850 4.222 3.520 1.00 0.00 N ATOM 679 CA ALA A 52 -0.722 5.105 3.757 1.00 0.00 C ATOM 680 C ALA A 52 -0.318 5.776 2.457 1.00 0.00 C ATOM 681 O ALA A 52 -0.470 5.194 1.381 1.00 0.00 O ATOM 682 CB ALA A 52 0.449 4.332 4.354 1.00 0.00 C ATOM 0 H ALA A 52 -1.826 3.739 2.622 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.015 5.872 4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.284 5.011 4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.145 3.886 5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.755 3.546 3.664 1.00 0.00 H new ATOM 688 N TRP A 53 0.167 7.004 2.547 1.00 0.00 N ATOM 689 CA TRP A 53 0.604 7.731 1.377 1.00 0.00 C ATOM 690 C TRP A 53 2.010 7.331 0.996 1.00 0.00 C ATOM 691 O TRP A 53 2.598 6.420 1.572 1.00 0.00 O ATOM 692 CB TRP A 53 0.575 9.230 1.629 1.00 0.00 C ATOM 693 CG TRP A 53 -0.758 9.747 1.972 1.00 0.00 C ATOM 694 CD1 TRP A 53 -1.265 9.823 3.205 1.00 0.00 C ATOM 695 CD2 TRP A 53 -1.741 10.280 1.080 1.00 0.00 C ATOM 696 NE1 TRP A 53 -2.518 10.366 3.165 1.00 0.00 N ATOM 697 CE2 TRP A 53 -2.836 10.660 1.868 1.00 0.00 C ATOM 698 CE3 TRP A 53 -1.802 10.472 -0.303 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -3.988 11.223 1.324 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -2.942 11.031 -0.845 1.00 0.00 C ATOM 701 CH2 TRP A 53 -4.022 11.402 -0.033 1.00 0.00 C ATOM 0 H TRP A 53 0.266 7.516 3.424 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.080 7.486 0.565 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.266 9.467 2.438 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.937 9.746 0.740 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.758 9.502 4.103 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.120 10.526 3.973 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.974 10.189 -0.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.822 11.507 1.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -3.002 11.185 -1.912 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -4.900 11.838 -0.487 1.00 0.00 H new ATOM 712 N ASN A 54 2.547 8.069 0.059 1.00 0.00 N ATOM 713 CA ASN A 54 3.865 7.785 -0.492 1.00 0.00 C ATOM 714 C ASN A 54 4.916 8.677 0.163 1.00 0.00 C ATOM 715 O ASN A 54 6.115 8.404 0.103 1.00 0.00 O ATOM 716 CB ASN A 54 3.846 7.994 -2.012 1.00 0.00 C ATOM 717 CG ASN A 54 5.153 7.618 -2.685 1.00 0.00 C ATOM 718 OD1 ASN A 54 6.023 8.596 -2.880 1.00 0.00 O flip ATOM 719 ND2 ASN A 54 5.369 6.463 -3.043 1.00 0.00 N flip ATOM 0 H ASN A 54 2.091 8.885 -0.349 1.00 0.00 H new ATOM 0 HA ASN A 54 4.124 6.747 -0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.039 7.401 -2.443 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.623 9.039 -2.225 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.672 5.738 -2.874 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.245 6.229 -3.509 1.00 0.00 H new ATOM 726 N PHE A 55 4.453 9.738 0.810 1.00 0.00 N ATOM 727 CA PHE A 55 5.346 10.707 1.428 1.00 0.00 C ATOM 728 C PHE A 55 5.391 10.543 2.944 1.00 0.00 C ATOM 729 O PHE A 55 6.038 11.328 3.636 1.00 0.00 O ATOM 730 CB PHE A 55 4.919 12.134 1.056 1.00 0.00 C ATOM 731 CG PHE A 55 3.501 12.481 1.428 1.00 0.00 C ATOM 732 CD1 PHE A 55 3.199 12.983 2.686 1.00 0.00 C ATOM 733 CD2 PHE A 55 2.473 12.318 0.513 1.00 0.00 C ATOM 734 CE1 PHE A 55 1.900 13.311 3.023 1.00 0.00 C ATOM 735 CE2 PHE A 55 1.172 12.649 0.846 1.00 0.00 C ATOM 736 CZ PHE A 55 0.885 13.145 2.101 1.00 0.00 C ATOM 0 H PHE A 55 3.461 9.949 0.920 1.00 0.00 H new ATOM 0 HA PHE A 55 6.351 10.525 1.047 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.592 12.839 1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.042 12.268 -0.019 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.989 13.119 3.410 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.690 11.928 -0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.678 13.697 4.007 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.380 12.519 0.123 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.131 13.403 2.362 1.00 0.00 H new ATOM 746 N GLU A 56 4.706 9.524 3.454 1.00 0.00 N ATOM 747 CA GLU A 56 4.701 9.257 4.889 1.00 0.00 C ATOM 748 C GLU A 56 6.115 8.958 5.383 1.00 0.00 C ATOM 749 O GLU A 56 6.826 8.151 4.776 1.00 0.00 O ATOM 750 CB GLU A 56 3.764 8.091 5.217 1.00 0.00 C ATOM 751 CG GLU A 56 2.289 8.445 5.109 1.00 0.00 C ATOM 752 CD GLU A 56 1.856 9.442 6.164 1.00 0.00 C ATOM 753 OE1 GLU A 56 1.535 9.016 7.295 1.00 0.00 O ATOM 754 OE2 GLU A 56 1.837 10.655 5.871 1.00 0.00 O ATOM 0 H GLU A 56 4.150 8.873 2.899 1.00 0.00 H new ATOM 0 HA GLU A 56 4.336 10.147 5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.980 7.262 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.972 7.742 6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.088 8.857 4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.692 7.538 5.204 1.00 0.00 H new ATOM 761 N PRO A 57 6.524 9.615 6.493 1.00 0.00 N ATOM 762 CA PRO A 57 7.877 9.516 7.063 1.00 0.00 C ATOM 763 C PRO A 57 8.443 8.106 7.023 1.00 0.00 C ATOM 764 O PRO A 57 9.587 7.895 6.616 1.00 0.00 O ATOM 765 CB PRO A 57 7.667 9.969 8.501 1.00 0.00 C ATOM 766 CG PRO A 57 6.576 10.976 8.409 1.00 0.00 C ATOM 767 CD PRO A 57 5.672 10.517 7.294 1.00 0.00 C ATOM 0 HA PRO A 57 8.600 10.110 6.503 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.387 9.135 9.145 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.575 10.403 8.919 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.030 11.045 9.350 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.978 11.967 8.201 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.794 9.999 7.680 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.312 11.357 6.701 1.00 0.00 H new ATOM 775 N ASP A 58 7.646 7.143 7.451 1.00 0.00 N ATOM 776 CA ASP A 58 8.012 5.752 7.293 1.00 0.00 C ATOM 777 C ASP A 58 6.788 4.945 6.910 1.00 0.00 C ATOM 778 O ASP A 58 6.255 4.174 7.714 1.00 0.00 O ATOM 779 CB ASP A 58 8.653 5.186 8.559 1.00 0.00 C ATOM 780 CG ASP A 58 9.569 4.009 8.257 1.00 0.00 C ATOM 781 OD1 ASP A 58 9.114 3.024 7.640 1.00 0.00 O ATOM 782 OD2 ASP A 58 10.758 4.069 8.639 1.00 0.00 O ATOM 0 H ASP A 58 6.747 7.300 7.907 1.00 0.00 H new ATOM 0 HA ASP A 58 8.755 5.684 6.499 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.223 5.970 9.058 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.872 4.870 9.250 1.00 0.00 H new ATOM 787 N ALA A 59 6.320 5.164 5.684 1.00 0.00 N ATOM 788 CA ALA A 59 5.164 4.446 5.158 1.00 0.00 C ATOM 789 C ALA A 59 5.379 2.943 5.238 1.00 0.00 C ATOM 790 O ALA A 59 4.446 2.181 5.507 1.00 0.00 O ATOM 791 CB ALA A 59 4.898 4.861 3.723 1.00 0.00 C ATOM 0 H ALA A 59 6.727 5.837 5.034 1.00 0.00 H new ATOM 0 HA ALA A 59 4.297 4.701 5.767 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.033 4.318 3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.700 5.932 3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.770 4.631 3.110 1.00 0.00 H new ATOM 797 N GLY A 60 6.622 2.533 5.019 1.00 0.00 N ATOM 798 CA GLY A 60 6.978 1.135 5.094 1.00 0.00 C ATOM 799 C GLY A 60 6.668 0.532 6.441 1.00 0.00 C ATOM 800 O GLY A 60 6.132 -0.566 6.515 1.00 0.00 O ATOM 0 H GLY A 60 7.397 3.155 4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.442 0.585 4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.042 1.023 4.885 1.00 0.00 H new ATOM 804 N GLU A 61 6.980 1.258 7.504 1.00 0.00 N ATOM 805 CA GLU A 61 6.783 0.760 8.860 1.00 0.00 C ATOM 806 C GLU A 61 5.311 0.405 9.107 1.00 0.00 C ATOM 807 O GLU A 61 5.010 -0.621 9.709 1.00 0.00 O ATOM 808 CB GLU A 61 7.290 1.806 9.863 1.00 0.00 C ATOM 809 CG GLU A 61 7.430 1.310 11.294 1.00 0.00 C ATOM 810 CD GLU A 61 6.173 1.504 12.110 1.00 0.00 C ATOM 811 OE1 GLU A 61 5.715 2.657 12.227 1.00 0.00 O ATOM 812 OE2 GLU A 61 5.635 0.508 12.633 1.00 0.00 O ATOM 0 H GLU A 61 7.372 2.198 7.455 1.00 0.00 H new ATOM 0 HA GLU A 61 7.356 -0.158 8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.260 2.172 9.525 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.608 2.656 9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.690 0.251 11.282 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.255 1.835 11.776 1.00 0.00 H new ATOM 819 N GLY A 62 4.402 1.228 8.590 1.00 0.00 N ATOM 820 CA GLY A 62 2.982 0.993 8.789 1.00 0.00 C ATOM 821 C GLY A 62 2.458 -0.124 7.905 1.00 0.00 C ATOM 822 O GLY A 62 1.649 -0.953 8.334 1.00 0.00 O ATOM 0 H GLY A 62 4.624 2.055 8.036 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.799 0.743 9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.431 1.910 8.579 1.00 0.00 H new ATOM 826 N LEU A 63 2.919 -0.151 6.664 1.00 0.00 N ATOM 827 CA LEU A 63 2.541 -1.205 5.740 1.00 0.00 C ATOM 828 C LEU A 63 3.103 -2.540 6.213 1.00 0.00 C ATOM 829 O LEU A 63 2.419 -3.560 6.160 1.00 0.00 O ATOM 830 CB LEU A 63 3.037 -0.872 4.335 1.00 0.00 C ATOM 831 CG LEU A 63 2.465 0.421 3.746 1.00 0.00 C ATOM 832 CD1 LEU A 63 3.179 0.786 2.460 1.00 0.00 C ATOM 833 CD2 LEU A 63 0.969 0.288 3.501 1.00 0.00 C ATOM 0 H LEU A 63 3.555 0.545 6.275 1.00 0.00 H new ATOM 0 HA LEU A 63 1.454 -1.282 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.124 -0.796 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.788 -1.699 3.671 1.00 0.00 H new ATOM 0 HG LEU A 63 2.625 1.220 4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.757 1.707 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.240 0.931 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.054 -0.017 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.585 1.218 3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.786 -0.527 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.463 0.078 4.443 1.00 0.00 H new ATOM 845 N ASN A 64 4.341 -2.520 6.704 1.00 0.00 N ATOM 846 CA ASN A 64 4.974 -3.716 7.249 1.00 0.00 C ATOM 847 C ASN A 64 4.253 -4.185 8.508 1.00 0.00 C ATOM 848 O ASN A 64 4.293 -5.370 8.841 1.00 0.00 O ATOM 849 CB ASN A 64 6.460 -3.476 7.553 1.00 0.00 C ATOM 850 CG ASN A 64 7.322 -3.396 6.302 1.00 0.00 C ATOM 851 OD1 ASN A 64 7.027 -4.022 5.284 1.00 0.00 O ATOM 852 ND2 ASN A 64 8.398 -2.622 6.371 1.00 0.00 N ATOM 0 H ASN A 64 4.926 -1.685 6.735 1.00 0.00 H new ATOM 0 HA ASN A 64 4.903 -4.496 6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.564 -2.550 8.118 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.829 -4.280 8.190 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.013 -2.531 5.563 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.610 -2.119 7.232 1.00 0.00 H new ATOM 859 N ARG A 65 3.601 -3.254 9.207 1.00 0.00 N ATOM 860 CA ARG A 65 2.727 -3.603 10.321 1.00 0.00 C ATOM 861 C ARG A 65 1.632 -4.538 9.842 1.00 0.00 C ATOM 862 O ARG A 65 1.361 -5.568 10.458 1.00 0.00 O ATOM 863 CB ARG A 65 2.064 -2.356 10.907 1.00 0.00 C ATOM 864 CG ARG A 65 2.968 -1.451 11.718 1.00 0.00 C ATOM 865 CD ARG A 65 2.170 -0.276 12.266 1.00 0.00 C ATOM 866 NE ARG A 65 3.020 0.830 12.684 1.00 0.00 N ATOM 867 CZ ARG A 65 2.565 1.962 13.220 1.00 0.00 C ATOM 868 NH1 ARG A 65 1.277 2.093 13.514 1.00 0.00 N ATOM 869 NH2 ARG A 65 3.404 2.952 13.477 1.00 0.00 N ATOM 0 H ARG A 65 3.664 -2.253 9.019 1.00 0.00 H new ATOM 0 HA ARG A 65 3.337 -4.084 11.085 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.638 -1.775 10.089 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.234 -2.671 11.540 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.416 -2.011 12.538 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.786 -1.088 11.096 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.474 0.073 11.503 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.572 -0.611 13.114 1.00 0.00 H new ATOM 0 HE ARG A 65 4.028 0.732 12.559 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.631 1.325 13.330 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.933 2.961 13.924 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.396 2.848 13.265 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.059 3.820 13.887 1.00 0.00 H new ATOM 883 N TYR A 66 0.990 -4.158 8.745 1.00 0.00 N ATOM 884 CA TYR A 66 -0.064 -4.975 8.171 1.00 0.00 C ATOM 885 C TYR A 66 0.518 -6.250 7.576 1.00 0.00 C ATOM 886 O TYR A 66 0.016 -7.346 7.832 1.00 0.00 O ATOM 887 CB TYR A 66 -0.840 -4.201 7.101 1.00 0.00 C ATOM 888 CG TYR A 66 -2.049 -4.952 6.583 1.00 0.00 C ATOM 889 CD1 TYR A 66 -1.913 -5.977 5.655 1.00 0.00 C ATOM 890 CD2 TYR A 66 -3.322 -4.644 7.036 1.00 0.00 C ATOM 891 CE1 TYR A 66 -3.014 -6.676 5.193 1.00 0.00 C ATOM 892 CE2 TYR A 66 -4.427 -5.338 6.581 1.00 0.00 C ATOM 893 CZ TYR A 66 -4.271 -6.350 5.660 1.00 0.00 C ATOM 894 OH TYR A 66 -5.372 -7.038 5.204 1.00 0.00 O ATOM 0 H TYR A 66 1.181 -3.293 8.239 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.756 -5.241 8.970 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.163 -3.246 7.515 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.174 -3.978 6.268 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.930 -6.233 5.288 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.452 -3.849 7.756 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.891 -7.471 4.472 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.412 -5.087 6.947 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.607 -6.722 4.307 1.00 0.00 H new ATOM 904 N ILE A 67 1.575 -6.097 6.783 1.00 0.00 N ATOM 905 CA ILE A 67 2.209 -7.228 6.116 1.00 0.00 C ATOM 906 C ILE A 67 2.651 -8.278 7.130 1.00 0.00 C ATOM 907 O ILE A 67 2.233 -9.435 7.046 1.00 0.00 O ATOM 908 CB ILE A 67 3.431 -6.788 5.280 1.00 0.00 C ATOM 909 CG1 ILE A 67 3.018 -5.770 4.216 1.00 0.00 C ATOM 910 CG2 ILE A 67 4.087 -7.995 4.625 1.00 0.00 C ATOM 911 CD1 ILE A 67 4.191 -5.098 3.533 1.00 0.00 C ATOM 0 H ILE A 67 2.011 -5.196 6.587 1.00 0.00 H new ATOM 0 HA ILE A 67 1.464 -7.657 5.446 1.00 0.00 H new ATOM 0 HB ILE A 67 4.151 -6.317 5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.408 -6.270 3.464 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.392 -5.007 4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.946 -7.669 4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.416 -8.693 5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.369 -8.489 3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.823 -4.389 2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.790 -4.569 4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.806 -5.852 3.041 1.00 0.00 H new ATOM 923 N ARG A 68 3.504 -7.870 8.080 1.00 0.00 N ATOM 924 CA ARG A 68 3.972 -8.764 9.137 1.00 0.00 C ATOM 925 C ARG A 68 4.646 -9.989 8.542 1.00 0.00 C ATOM 926 O ARG A 68 4.638 -11.065 9.132 1.00 0.00 O ATOM 927 CB ARG A 68 2.796 -9.181 9.998 1.00 0.00 C ATOM 928 CG ARG A 68 2.717 -8.461 11.330 1.00 0.00 C ATOM 929 CD ARG A 68 1.389 -8.719 12.018 1.00 0.00 C ATOM 930 NE ARG A 68 0.285 -8.003 11.371 1.00 0.00 N ATOM 931 CZ ARG A 68 -0.947 -8.491 11.234 1.00 0.00 C ATOM 932 NH1 ARG A 68 -1.222 -9.729 11.615 1.00 0.00 N ATOM 933 NH2 ARG A 68 -1.908 -7.738 10.711 1.00 0.00 N ATOM 0 H ARG A 68 3.882 -6.924 8.134 1.00 0.00 H new ATOM 0 HA ARG A 68 4.703 -8.238 9.750 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.874 -9.002 9.445 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.855 -10.254 10.180 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.533 -8.791 11.973 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.847 -7.390 11.175 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.180 -9.789 12.012 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.457 -8.413 13.062 1.00 0.00 H new ATOM 0 HE ARG A 68 0.472 -7.071 11.002 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.489 -10.314 12.016 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.167 -10.098 11.508 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.703 -6.784 10.413 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.851 -8.114 10.607 1.00 0.00 H new ATOM 947 N THR A 69 5.203 -9.778 7.354 1.00 0.00 N ATOM 948 CA THR A 69 5.872 -10.800 6.537 1.00 0.00 C ATOM 949 C THR A 69 4.986 -12.035 6.322 1.00 0.00 C ATOM 950 O THR A 69 5.471 -13.125 6.007 1.00 0.00 O ATOM 951 CB THR A 69 7.281 -11.197 7.078 1.00 0.00 C ATOM 952 OG1 THR A 69 7.973 -11.977 6.094 1.00 0.00 O ATOM 953 CG2 THR A 69 7.218 -11.991 8.375 1.00 0.00 C ATOM 0 H THR A 69 5.204 -8.859 6.912 1.00 0.00 H new ATOM 0 HA THR A 69 6.037 -10.336 5.564 1.00 0.00 H new ATOM 0 HB THR A 69 7.810 -10.267 7.285 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.382 -12.686 5.764 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.229 -12.237 8.700 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.725 -11.395 9.143 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.655 -12.910 8.212 1.00 0.00 H new ATOM 961 N SER A 70 3.681 -11.843 6.456 1.00 0.00 N ATOM 962 CA SER A 70 2.714 -12.874 6.124 1.00 0.00 C ATOM 963 C SER A 70 1.987 -12.474 4.845 1.00 0.00 C ATOM 964 O SER A 70 2.118 -13.123 3.803 1.00 0.00 O ATOM 965 CB SER A 70 1.717 -13.069 7.274 1.00 0.00 C ATOM 966 OG SER A 70 0.901 -14.210 7.066 1.00 0.00 O ATOM 0 H SER A 70 3.268 -10.975 6.795 1.00 0.00 H new ATOM 0 HA SER A 70 3.230 -13.821 5.968 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.260 -13.175 8.213 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.089 -12.183 7.367 1.00 0.00 H new ATOM 0 HG SER A 70 0.278 -14.308 7.816 1.00 0.00 H new ATOM 972 N GLY A 71 1.243 -11.382 4.933 1.00 0.00 N ATOM 973 CA GLY A 71 0.563 -10.840 3.778 1.00 0.00 C ATOM 974 C GLY A 71 -0.663 -11.635 3.387 1.00 0.00 C ATOM 975 O GLY A 71 -0.868 -12.754 3.855 1.00 0.00 O ATOM 0 H GLY A 71 1.098 -10.857 5.795 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.271 -9.811 3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.255 -10.812 2.936 1.00 0.00 H new ATOM 979 N ILE A 72 -1.478 -11.055 2.519 1.00 0.00 N ATOM 980 CA ILE A 72 -2.702 -11.702 2.071 1.00 0.00 C ATOM 981 C ILE A 72 -2.441 -12.599 0.857 1.00 0.00 C ATOM 982 O ILE A 72 -3.286 -13.414 0.485 1.00 0.00 O ATOM 983 CB ILE A 72 -3.781 -10.638 1.746 1.00 0.00 C ATOM 984 CG1 ILE A 72 -4.092 -9.817 3.003 1.00 0.00 C ATOM 985 CG2 ILE A 72 -5.053 -11.267 1.188 1.00 0.00 C ATOM 986 CD1 ILE A 72 -4.499 -10.657 4.198 1.00 0.00 C ATOM 0 H ILE A 72 -1.313 -10.135 2.110 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.069 -12.336 2.878 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.384 -9.981 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.214 -9.228 3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.892 -9.112 2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.782 -10.485 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.820 -11.806 0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.468 -11.960 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.703 -10.006 5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.396 -11.226 3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.691 -11.343 4.452 1.00 0.00 H new ATOM 998 N ARG A 73 -1.248 -12.476 0.271 1.00 0.00 N ATOM 999 CA ARG A 73 -0.882 -13.249 -0.922 1.00 0.00 C ATOM 1000 C ARG A 73 -1.171 -14.741 -0.746 1.00 0.00 C ATOM 1001 O ARG A 73 -2.136 -15.268 -1.299 1.00 0.00 O ATOM 1002 CB ARG A 73 0.599 -13.065 -1.265 1.00 0.00 C ATOM 1003 CG ARG A 73 1.123 -14.131 -2.220 1.00 0.00 C ATOM 1004 CD ARG A 73 2.458 -13.768 -2.851 1.00 0.00 C ATOM 1005 NE ARG A 73 2.297 -12.956 -4.055 1.00 0.00 N ATOM 1006 CZ ARG A 73 2.800 -13.286 -5.248 1.00 0.00 C ATOM 1007 NH1 ARG A 73 3.429 -14.442 -5.411 1.00 0.00 N ATOM 1008 NH2 ARG A 73 2.649 -12.479 -6.287 1.00 0.00 N ATOM 0 H ARG A 73 -0.516 -11.848 0.603 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.496 -12.868 -1.738 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.744 -12.081 -1.712 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.185 -13.087 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.228 -15.072 -1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.389 -14.295 -3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.064 -13.224 -2.127 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.000 -14.680 -3.100 1.00 0.00 H new ATOM 0 HE ARG A 73 1.770 -12.086 -3.980 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.530 -15.083 -4.624 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.812 -14.690 -6.323 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.146 -11.598 -6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.036 -12.738 -7.194 1.00 0.00 H new ATOM 1022 N THR A 74 -0.338 -15.406 0.045 1.00 0.00 N ATOM 1023 CA THR A 74 -0.459 -16.839 0.255 1.00 0.00 C ATOM 1024 C THR A 74 -1.499 -17.108 1.336 1.00 0.00 C ATOM 1025 O THR A 74 -1.769 -18.252 1.706 1.00 0.00 O ATOM 1026 CB THR A 74 0.901 -17.441 0.662 1.00 0.00 C ATOM 1027 OG1 THR A 74 1.954 -16.773 -0.051 1.00 0.00 O ATOM 1028 CG2 THR A 74 0.959 -18.928 0.353 1.00 0.00 C ATOM 0 H THR A 74 0.432 -14.971 0.553 1.00 0.00 H new ATOM 0 HA THR A 74 -0.777 -17.310 -0.676 1.00 0.00 H new ATOM 0 HB THR A 74 1.024 -17.304 1.736 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.818 -17.155 0.209 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.930 -19.324 0.651 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.172 -19.445 0.902 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.817 -19.083 -0.716 1.00 0.00 H new ATOM 1036 N ASP A 75 -2.098 -16.030 1.820 1.00 0.00 N ATOM 1037 CA ASP A 75 -3.096 -16.126 2.883 1.00 0.00 C ATOM 1038 C ASP A 75 -4.441 -16.558 2.308 1.00 0.00 C ATOM 1039 O ASP A 75 -5.219 -17.246 2.968 1.00 0.00 O ATOM 1040 CB ASP A 75 -3.238 -14.787 3.612 1.00 0.00 C ATOM 1041 CG ASP A 75 -4.189 -14.855 4.793 1.00 0.00 C ATOM 1042 OD1 ASP A 75 -5.400 -14.641 4.599 1.00 0.00 O ATOM 1043 OD2 ASP A 75 -3.723 -15.111 5.928 1.00 0.00 O ATOM 0 H ASP A 75 -1.913 -15.080 1.497 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.763 -16.876 3.600 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.257 -14.463 3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.592 -14.033 2.910 1.00 0.00 H new TER 1048 ASP A 75