USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 643 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 21 THR OG1 : rot 180:sc= 0.724 USER MOD Set 1.2: A 70 THR OG1 : rot -134:sc= 0.699 USER MOD Single : A 7 SER OG : rot -31:sc= 1.22 USER MOD Single : A 8 GLN : amide:sc= -1.52! C(o=-1.5!,f=-2.7!) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -20:sc= 0.0884 USER MOD Single : A 19 SER OG : rot 86:sc= 1.22 USER MOD Single : A 20 MET CE :methyl -139:sc= -0.21 (180deg=-0.94) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.229 USER MOD Single : A 30 MET CE :methyl 158:sc= -4.66! (180deg=-6.31!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 44 LYS NZ :NH3+ -125:sc= -0.156 (180deg=-1.21) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 47 GLN : amide:sc= -5.33! K(o=-5.3!,f=-1) USER MOD Single : A 49 SER OG : rot -77:sc= 0.867 USER MOD Single : A 51 CYS SG : rot -60:sc= -1.19 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.01 X(o=-1,f=-0.58) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 170:sc= -3.68! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -92:sc= -0.861! USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 78 LYS NZ :NH3+ 172:sc= 1.15 (180deg=0.979) USER MOD Single : A 80 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.24) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 95:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 7 13.023 3.415 -1.276 1.00 0.00 N ATOM 32 CA SER A 7 13.006 1.966 -1.096 1.00 0.00 C ATOM 33 C SER A 7 13.856 1.558 0.109 1.00 0.00 C ATOM 34 O SER A 7 14.096 2.371 0.998 1.00 0.00 O ATOM 35 CB SER A 7 13.523 1.277 -2.367 1.00 0.00 C ATOM 36 OG SER A 7 12.984 1.883 -3.530 1.00 0.00 O ATOM 0 HA SER A 7 11.979 1.651 -0.910 1.00 0.00 H new ATOM 0 HB2 SER A 7 14.611 1.330 -2.396 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.256 0.220 -2.346 1.00 0.00 H new ATOM 0 HG SER A 7 12.088 2.227 -3.334 1.00 0.00 H new ATOM 42 N GLN A 8 14.240 0.285 0.167 1.00 0.00 N ATOM 43 CA GLN A 8 15.258 -0.181 1.109 1.00 0.00 C ATOM 44 C GLN A 8 16.040 -1.332 0.499 1.00 0.00 C ATOM 45 O GLN A 8 16.994 -1.114 -0.248 1.00 0.00 O ATOM 46 CB GLN A 8 14.682 -0.649 2.453 1.00 0.00 C ATOM 47 CG GLN A 8 14.033 0.439 3.287 1.00 0.00 C ATOM 48 CD GLN A 8 13.557 -0.076 4.629 1.00 0.00 C ATOM 49 OE1 GLN A 8 12.582 0.417 5.187 1.00 0.00 O ATOM 50 NE2 GLN A 8 14.244 -1.078 5.159 1.00 0.00 N ATOM 0 H GLN A 8 13.859 -0.448 -0.431 1.00 0.00 H new ATOM 0 HA GLN A 8 15.900 0.678 1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.944 -1.429 2.263 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.483 -1.103 3.036 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.746 1.249 3.443 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.188 0.858 2.740 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.050 -1.462 4.665 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.967 -1.465 6.061 1.00 0.00 H new ATOM 59 N LEU A 9 15.588 -2.557 0.785 1.00 0.00 N ATOM 60 CA LEU A 9 16.294 -3.769 0.377 1.00 0.00 C ATOM 61 C LEU A 9 15.653 -5.015 0.979 1.00 0.00 C ATOM 62 O LEU A 9 14.593 -4.950 1.606 1.00 0.00 O ATOM 63 CB LEU A 9 17.775 -3.717 0.799 1.00 0.00 C ATOM 64 CG LEU A 9 18.062 -3.184 2.214 1.00 0.00 C ATOM 65 CD1 LEU A 9 17.686 -4.201 3.282 1.00 0.00 C ATOM 66 CD2 LEU A 9 19.528 -2.794 2.342 1.00 0.00 C ATOM 0 H LEU A 9 14.727 -2.733 1.303 1.00 0.00 H new ATOM 0 HA LEU A 9 16.228 -3.822 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 9 18.188 -4.723 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 9 18.313 -3.095 0.083 1.00 0.00 H new ATOM 0 HG LEU A 9 17.444 -2.299 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 9 17.903 -3.790 4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.623 -4.429 3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 9 18.263 -5.114 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 9 19.718 -2.419 3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 9 20.154 -3.667 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.763 -2.017 1.614 1.00 0.00 H new ATOM 78 N GLY A 10 16.316 -6.139 0.767 1.00 0.00 N ATOM 79 CA GLY A 10 15.942 -7.384 1.402 1.00 0.00 C ATOM 80 C GLY A 10 17.165 -8.202 1.759 1.00 0.00 C ATOM 81 O GLY A 10 17.899 -8.636 0.869 1.00 0.00 O ATOM 0 H GLY A 10 17.126 -6.211 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.363 -7.177 2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.299 -7.958 0.734 1.00 0.00 H new ATOM 85 N PRO A 11 17.417 -8.418 3.059 1.00 0.00 N ATOM 86 CA PRO A 11 18.632 -9.091 3.534 1.00 0.00 C ATOM 87 C PRO A 11 18.660 -10.584 3.212 1.00 0.00 C ATOM 88 O PRO A 11 19.730 -11.187 3.116 1.00 0.00 O ATOM 89 CB PRO A 11 18.588 -8.874 5.049 1.00 0.00 C ATOM 90 CG PRO A 11 17.144 -8.703 5.365 1.00 0.00 C ATOM 91 CD PRO A 11 16.537 -8.017 4.173 1.00 0.00 C ATOM 0 HA PRO A 11 19.523 -8.690 3.050 1.00 0.00 H new ATOM 0 HB2 PRO A 11 19.012 -9.724 5.583 1.00 0.00 H new ATOM 0 HB3 PRO A 11 19.164 -7.995 5.340 1.00 0.00 H new ATOM 0 HG2 PRO A 11 16.667 -9.667 5.545 1.00 0.00 H new ATOM 0 HG3 PRO A 11 17.010 -8.107 6.268 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.508 -8.337 4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 11 16.518 -6.935 4.300 1.00 0.00 H new ATOM 99 N ILE A 12 17.488 -11.179 3.043 1.00 0.00 N ATOM 100 CA ILE A 12 17.396 -12.607 2.785 1.00 0.00 C ATOM 101 C ILE A 12 16.683 -12.881 1.469 1.00 0.00 C ATOM 102 O ILE A 12 16.021 -12.009 0.911 1.00 0.00 O ATOM 103 CB ILE A 12 16.695 -13.354 3.939 1.00 0.00 C ATOM 104 CG1 ILE A 12 15.361 -12.687 4.291 1.00 0.00 C ATOM 105 CG2 ILE A 12 17.604 -13.408 5.158 1.00 0.00 C ATOM 106 CD1 ILE A 12 14.613 -13.384 5.409 1.00 0.00 C ATOM 0 H ILE A 12 16.590 -10.696 3.080 1.00 0.00 H new ATOM 0 HA ILE A 12 18.416 -12.984 2.713 1.00 0.00 H new ATOM 0 HB ILE A 12 16.486 -14.373 3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 12 15.546 -11.652 4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.730 -12.663 3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 12 17.098 -13.937 5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 12 18.525 -13.931 4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 12 17.840 -12.394 5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.679 -12.858 5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 12 14.396 -14.411 5.117 1.00 0.00 H new ATOM 0 HD13 ILE A 12 15.225 -13.385 6.311 1.00 0.00 H new ATOM 118 N HIS A 13 16.829 -14.109 0.989 1.00 0.00 N ATOM 119 CA HIS A 13 16.399 -14.486 -0.357 1.00 0.00 C ATOM 120 C HIS A 13 14.947 -15.002 -0.461 1.00 0.00 C ATOM 121 O HIS A 13 14.433 -15.069 -1.577 1.00 0.00 O ATOM 122 CB HIS A 13 17.359 -15.528 -0.929 1.00 0.00 C ATOM 123 CG HIS A 13 18.766 -15.031 -1.037 1.00 0.00 C ATOM 124 ND1 HIS A 13 19.755 -15.380 -0.144 1.00 0.00 N ATOM 125 CD2 HIS A 13 19.343 -14.194 -1.930 1.00 0.00 C ATOM 126 CE1 HIS A 13 20.879 -14.778 -0.480 1.00 0.00 C ATOM 127 NE2 HIS A 13 20.655 -14.054 -1.560 1.00 0.00 N ATOM 0 H HIS A 13 17.248 -14.873 1.519 1.00 0.00 H new ATOM 0 HA HIS A 13 16.421 -13.564 -0.939 1.00 0.00 H new ATOM 0 HB2 HIS A 13 17.341 -16.416 -0.297 1.00 0.00 H new ATOM 0 HB3 HIS A 13 17.010 -15.832 -1.916 1.00 0.00 H new ATOM 0 HD2 HIS A 13 18.861 -13.725 -2.775 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.822 -14.863 0.040 1.00 0.00 H new ATOM 0 HE2 HIS A 13 21.348 -13.482 -2.042 1.00 0.00 H new ATOM 136 N PRO A 14 14.282 -15.453 0.645 1.00 0.00 N ATOM 137 CA PRO A 14 12.835 -15.720 0.646 1.00 0.00 C ATOM 138 C PRO A 14 12.005 -14.690 -0.145 1.00 0.00 C ATOM 139 O PRO A 14 12.501 -13.622 -0.507 1.00 0.00 O ATOM 140 CB PRO A 14 12.471 -15.634 2.130 1.00 0.00 C ATOM 141 CG PRO A 14 13.715 -15.976 2.880 1.00 0.00 C ATOM 142 CD PRO A 14 14.879 -15.865 1.926 1.00 0.00 C ATOM 0 HA PRO A 14 12.617 -16.674 0.166 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.122 -14.634 2.389 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.665 -16.326 2.375 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.849 -15.300 3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.650 -16.985 3.286 1.00 0.00 H new ATOM 0 HD2 PRO A 14 15.608 -15.134 2.275 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.403 -16.816 1.830 1.00 0.00 H new ATOM 150 N PRO A 15 10.724 -14.997 -0.415 1.00 0.00 N ATOM 151 CA PRO A 15 9.805 -14.089 -1.123 1.00 0.00 C ATOM 152 C PRO A 15 9.803 -12.662 -0.545 1.00 0.00 C ATOM 153 O PRO A 15 10.312 -12.420 0.554 1.00 0.00 O ATOM 154 CB PRO A 15 8.426 -14.748 -0.930 1.00 0.00 C ATOM 155 CG PRO A 15 8.630 -15.843 0.064 1.00 0.00 C ATOM 156 CD PRO A 15 10.062 -16.259 -0.069 1.00 0.00 C ATOM 0 HA PRO A 15 10.095 -13.964 -2.166 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.695 -14.025 -0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.046 -15.142 -1.873 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.417 -15.497 1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.960 -16.680 -0.134 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.450 -16.681 0.858 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.196 -17.014 -0.844 1.00 0.00 H new ATOM 164 N PRO A 16 9.232 -11.695 -1.298 1.00 0.00 N ATOM 165 CA PRO A 16 9.176 -10.268 -0.911 1.00 0.00 C ATOM 166 C PRO A 16 8.358 -9.978 0.353 1.00 0.00 C ATOM 167 O PRO A 16 7.717 -8.933 0.460 1.00 0.00 O ATOM 168 CB PRO A 16 8.514 -9.595 -2.116 1.00 0.00 C ATOM 169 CG PRO A 16 7.789 -10.684 -2.810 1.00 0.00 C ATOM 170 CD PRO A 16 8.629 -11.909 -2.624 1.00 0.00 C ATOM 0 HA PRO A 16 10.176 -9.907 -0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.833 -8.804 -1.802 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.256 -9.136 -2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.794 -10.823 -2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.658 -10.456 -3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.029 -12.819 -2.653 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.386 -12.002 -3.402 1.00 0.00 H new ATOM 178 N ARG A 17 8.398 -10.897 1.307 1.00 0.00 N ATOM 179 CA ARG A 17 7.827 -10.672 2.628 1.00 0.00 C ATOM 180 C ARG A 17 8.862 -9.983 3.504 1.00 0.00 C ATOM 181 O ARG A 17 8.613 -9.679 4.668 1.00 0.00 O ATOM 182 CB ARG A 17 7.388 -11.997 3.259 1.00 0.00 C ATOM 183 CG ARG A 17 8.468 -13.065 3.244 1.00 0.00 C ATOM 184 CD ARG A 17 7.989 -14.356 3.886 1.00 0.00 C ATOM 185 NE ARG A 17 7.766 -14.210 5.326 1.00 0.00 N ATOM 186 CZ ARG A 17 6.703 -14.691 5.968 1.00 0.00 C ATOM 187 NH1 ARG A 17 5.728 -15.292 5.291 1.00 0.00 N ATOM 188 NH2 ARG A 17 6.607 -14.556 7.290 1.00 0.00 N ATOM 0 H ARG A 17 8.825 -11.816 1.189 1.00 0.00 H new ATOM 0 HA ARG A 17 6.946 -10.037 2.537 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.083 -11.815 4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.512 -12.370 2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.772 -13.261 2.216 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.348 -12.700 3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.063 -14.676 3.408 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.725 -15.141 3.712 1.00 0.00 H new ATOM 0 HE ARG A 17 8.468 -13.709 5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.793 -15.385 4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.915 -15.659 5.786 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.347 -14.085 7.810 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.793 -14.924 7.782 1.00 0.00 H new ATOM 202 N THR A 18 10.027 -9.731 2.908 1.00 0.00 N ATOM 203 CA THR A 18 11.121 -9.052 3.585 1.00 0.00 C ATOM 204 C THR A 18 12.326 -8.876 2.646 1.00 0.00 C ATOM 205 O THR A 18 13.240 -8.111 2.935 1.00 0.00 O ATOM 206 CB THR A 18 11.546 -9.827 4.852 1.00 0.00 C ATOM 207 OG1 THR A 18 12.530 -9.091 5.592 1.00 0.00 O ATOM 208 CG2 THR A 18 12.090 -11.202 4.492 1.00 0.00 C ATOM 0 H THR A 18 10.234 -9.993 1.944 1.00 0.00 H new ATOM 0 HA THR A 18 10.766 -8.065 3.881 1.00 0.00 H new ATOM 0 HB THR A 18 10.661 -9.955 5.475 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.957 -8.433 5.004 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.382 -11.727 5.401 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.320 -11.774 3.974 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.958 -11.091 3.842 1.00 0.00 H new ATOM 216 N SER A 19 12.308 -9.569 1.505 1.00 0.00 N ATOM 217 CA SER A 19 13.426 -9.525 0.561 1.00 0.00 C ATOM 218 C SER A 19 13.390 -8.261 -0.297 1.00 0.00 C ATOM 219 O SER A 19 14.242 -8.061 -1.162 1.00 0.00 O ATOM 220 CB SER A 19 13.408 -10.768 -0.329 1.00 0.00 C ATOM 221 OG SER A 19 14.603 -10.887 -1.082 1.00 0.00 O ATOM 0 H SER A 19 11.534 -10.166 1.213 1.00 0.00 H new ATOM 0 HA SER A 19 14.351 -9.507 1.138 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.276 -11.657 0.288 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.554 -10.720 -1.005 1.00 0.00 H new ATOM 0 HG SER A 19 15.281 -11.351 -0.548 1.00 0.00 H new ATOM 227 N MET A 20 12.413 -7.407 -0.050 1.00 0.00 N ATOM 228 CA MET A 20 12.345 -6.119 -0.722 1.00 0.00 C ATOM 229 C MET A 20 11.383 -5.187 -0.003 1.00 0.00 C ATOM 230 O MET A 20 10.279 -4.920 -0.474 1.00 0.00 O ATOM 231 CB MET A 20 11.963 -6.269 -2.203 1.00 0.00 C ATOM 232 CG MET A 20 10.700 -7.076 -2.449 1.00 0.00 C ATOM 233 SD MET A 20 10.176 -7.036 -4.173 1.00 0.00 S ATOM 234 CE MET A 20 9.835 -5.288 -4.376 1.00 0.00 C ATOM 0 H MET A 20 11.655 -7.581 0.610 1.00 0.00 H new ATOM 0 HA MET A 20 13.341 -5.677 -0.688 1.00 0.00 H new ATOM 0 HB2 MET A 20 11.834 -5.276 -2.634 1.00 0.00 H new ATOM 0 HB3 MET A 20 12.790 -6.742 -2.732 1.00 0.00 H new ATOM 0 HG2 MET A 20 10.870 -8.110 -2.149 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.898 -6.689 -1.820 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.926 -5.160 -4.964 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.702 -4.827 -3.397 1.00 0.00 H new ATOM 0 HE3 MET A 20 10.670 -4.812 -4.891 1.00 0.00 H new ATOM 244 N THR A 21 11.806 -4.707 1.150 1.00 0.00 N ATOM 245 CA THR A 21 11.054 -3.693 1.855 1.00 0.00 C ATOM 246 C THR A 21 11.327 -2.344 1.219 1.00 0.00 C ATOM 247 O THR A 21 12.476 -1.927 1.091 1.00 0.00 O ATOM 248 CB THR A 21 11.411 -3.648 3.356 1.00 0.00 C ATOM 249 OG1 THR A 21 10.989 -4.864 3.985 1.00 0.00 O ATOM 250 CG2 THR A 21 10.752 -2.457 4.050 1.00 0.00 C ATOM 0 H THR A 21 12.664 -5.003 1.616 1.00 0.00 H new ATOM 0 HA THR A 21 9.995 -3.940 1.781 1.00 0.00 H new ATOM 0 HB THR A 21 12.492 -3.537 3.445 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.217 -4.836 4.938 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.024 -2.455 5.106 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.092 -1.531 3.586 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.669 -2.534 3.954 1.00 0.00 H new ATOM 258 N GLU A 22 10.272 -1.699 0.772 1.00 0.00 N ATOM 259 CA GLU A 22 10.387 -0.397 0.151 1.00 0.00 C ATOM 260 C GLU A 22 9.971 0.686 1.134 1.00 0.00 C ATOM 261 O GLU A 22 8.838 0.680 1.618 1.00 0.00 O ATOM 262 CB GLU A 22 9.507 -0.353 -1.103 1.00 0.00 C ATOM 263 CG GLU A 22 9.399 1.021 -1.745 1.00 0.00 C ATOM 264 CD GLU A 22 9.785 1.011 -3.208 1.00 0.00 C ATOM 265 OE1 GLU A 22 9.441 0.043 -3.919 1.00 0.00 O ATOM 266 OE2 GLU A 22 10.454 1.964 -3.647 1.00 0.00 O ATOM 0 H GLU A 22 9.319 -2.057 0.827 1.00 0.00 H new ATOM 0 HA GLU A 22 11.423 -0.220 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.906 -1.053 -1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.507 -0.699 -0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.377 1.385 -1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.040 1.720 -1.208 1.00 0.00 H new ATOM 273 N GLU A 23 10.886 1.593 1.457 1.00 0.00 N ATOM 274 CA GLU A 23 10.521 2.754 2.241 1.00 0.00 C ATOM 275 C GLU A 23 10.137 3.864 1.283 1.00 0.00 C ATOM 276 O GLU A 23 10.992 4.481 0.644 1.00 0.00 O ATOM 277 CB GLU A 23 11.673 3.182 3.153 1.00 0.00 C ATOM 278 CG GLU A 23 11.270 4.221 4.187 1.00 0.00 C ATOM 279 CD GLU A 23 12.143 4.188 5.425 1.00 0.00 C ATOM 280 OE1 GLU A 23 11.808 3.431 6.366 1.00 0.00 O ATOM 281 OE2 GLU A 23 13.156 4.916 5.474 1.00 0.00 O ATOM 0 H GLU A 23 11.869 1.544 1.191 1.00 0.00 H new ATOM 0 HA GLU A 23 9.677 2.518 2.890 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.067 2.304 3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.481 3.583 2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.322 5.213 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.232 4.056 4.476 1.00 0.00 H new ATOM 288 N TYR A 24 8.843 4.090 1.156 1.00 0.00 N ATOM 289 CA TYR A 24 8.335 5.009 0.162 1.00 0.00 C ATOM 290 C TYR A 24 8.188 6.402 0.754 1.00 0.00 C ATOM 291 O TYR A 24 7.564 6.578 1.804 1.00 0.00 O ATOM 292 CB TYR A 24 6.989 4.514 -0.371 1.00 0.00 C ATOM 293 CG TYR A 24 6.868 4.607 -1.874 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.389 5.755 -2.482 1.00 0.00 C ATOM 295 CD2 TYR A 24 7.235 3.540 -2.682 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.283 5.841 -3.857 1.00 0.00 C ATOM 297 CE2 TYR A 24 7.132 3.616 -4.057 1.00 0.00 C ATOM 298 CZ TYR A 24 6.654 4.767 -4.638 1.00 0.00 C ATOM 299 OH TYR A 24 6.553 4.848 -6.008 1.00 0.00 O ATOM 0 H TYR A 24 8.126 3.648 1.731 1.00 0.00 H new ATOM 0 HA TYR A 24 9.044 5.058 -0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.845 3.478 -0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.189 5.096 0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.094 6.596 -1.872 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.608 2.634 -2.227 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.912 6.745 -4.317 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.425 2.778 -4.672 1.00 0.00 H new ATOM 0 HH TYR A 24 6.856 4.006 -6.409 1.00 0.00 H new ATOM 309 N ARG A 25 8.774 7.383 0.083 1.00 0.00 N ATOM 310 CA ARG A 25 8.694 8.762 0.532 1.00 0.00 C ATOM 311 C ARG A 25 7.386 9.390 0.104 1.00 0.00 C ATOM 312 O ARG A 25 7.143 9.616 -1.081 1.00 0.00 O ATOM 313 CB ARG A 25 9.862 9.586 0.002 1.00 0.00 C ATOM 314 CG ARG A 25 11.174 9.283 0.695 1.00 0.00 C ATOM 315 CD ARG A 25 12.235 10.296 0.317 1.00 0.00 C ATOM 316 NE ARG A 25 11.851 11.652 0.716 1.00 0.00 N ATOM 317 CZ ARG A 25 12.277 12.764 0.118 1.00 0.00 C ATOM 318 NH1 ARG A 25 13.048 12.691 -0.967 1.00 0.00 N ATOM 319 NH2 ARG A 25 11.896 13.947 0.586 1.00 0.00 N ATOM 0 H ARG A 25 9.310 7.248 -0.774 1.00 0.00 H new ATOM 0 HA ARG A 25 8.744 8.755 1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.973 9.401 -1.066 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.633 10.645 0.120 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.029 9.289 1.775 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.509 8.282 0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.179 10.030 0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.401 10.266 -0.760 1.00 0.00 H new ATOM 0 HE ARG A 25 11.214 11.752 1.506 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.314 11.781 -1.343 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.372 13.545 -1.421 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.281 14.000 1.398 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.218 14.802 0.133 1.00 0.00 H new ATOM 333 N VAL A 26 6.549 9.661 1.080 1.00 0.00 N ATOM 334 CA VAL A 26 5.250 10.242 0.836 1.00 0.00 C ATOM 335 C VAL A 26 5.051 11.466 1.717 1.00 0.00 C ATOM 336 O VAL A 26 5.150 11.387 2.943 1.00 0.00 O ATOM 337 CB VAL A 26 4.133 9.198 1.075 1.00 0.00 C ATOM 338 CG1 VAL A 26 4.474 8.304 2.254 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.789 9.863 1.308 1.00 0.00 C ATOM 0 H VAL A 26 6.750 9.485 2.064 1.00 0.00 H new ATOM 0 HA VAL A 26 5.196 10.557 -0.206 1.00 0.00 H new ATOM 0 HB VAL A 26 4.062 8.589 0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.675 7.578 2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.408 7.779 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.584 8.912 3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.029 9.099 1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.850 10.509 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.522 10.459 0.435 1.00 0.00 H new ATOM 349 N PRO A 27 4.801 12.626 1.096 1.00 0.00 N ATOM 350 CA PRO A 27 4.576 13.861 1.833 1.00 0.00 C ATOM 351 C PRO A 27 3.259 13.806 2.594 1.00 0.00 C ATOM 352 O PRO A 27 2.335 13.112 2.171 1.00 0.00 O ATOM 353 CB PRO A 27 4.556 14.943 0.755 1.00 0.00 C ATOM 354 CG PRO A 27 4.226 14.235 -0.513 1.00 0.00 C ATOM 355 CD PRO A 27 4.710 12.816 -0.361 1.00 0.00 C ATOM 0 HA PRO A 27 5.342 14.047 2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.814 15.709 0.981 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.521 15.445 0.685 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.152 14.259 -0.700 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.709 14.719 -1.362 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.017 12.107 -0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.676 12.670 -0.844 1.00 0.00 H new ATOM 363 N ASP A 28 3.174 14.521 3.708 1.00 0.00 N ATOM 364 CA ASP A 28 2.078 14.330 4.662 1.00 0.00 C ATOM 365 C ASP A 28 0.696 14.455 3.995 1.00 0.00 C ATOM 366 O ASP A 28 -0.228 13.686 4.306 1.00 0.00 O ATOM 367 CB ASP A 28 2.225 15.306 5.843 1.00 0.00 C ATOM 368 CG ASP A 28 1.583 16.661 5.599 1.00 0.00 C ATOM 369 OD1 ASP A 28 0.375 16.817 5.894 1.00 0.00 O ATOM 370 OD2 ASP A 28 2.281 17.575 5.118 1.00 0.00 O ATOM 0 H ASP A 28 3.847 15.238 3.977 1.00 0.00 H new ATOM 0 HA ASP A 28 2.143 13.311 5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.780 14.858 6.731 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.285 15.449 6.055 1.00 0.00 H new ATOM 375 N GLY A 29 0.572 15.382 3.048 1.00 0.00 N ATOM 376 CA GLY A 29 -0.683 15.560 2.338 1.00 0.00 C ATOM 377 C GLY A 29 -1.048 14.353 1.493 1.00 0.00 C ATOM 378 O GLY A 29 -2.226 14.022 1.327 1.00 0.00 O ATOM 0 H GLY A 29 1.319 16.013 2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.480 15.751 3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.613 16.440 1.698 1.00 0.00 H new ATOM 382 N MET A 30 -0.033 13.665 0.991 1.00 0.00 N ATOM 383 CA MET A 30 -0.253 12.493 0.162 1.00 0.00 C ATOM 384 C MET A 30 -0.599 11.301 1.035 1.00 0.00 C ATOM 385 O MET A 30 -1.096 10.296 0.549 1.00 0.00 O ATOM 386 CB MET A 30 0.978 12.167 -0.683 1.00 0.00 C ATOM 387 CG MET A 30 1.306 13.181 -1.766 1.00 0.00 C ATOM 388 SD MET A 30 0.034 13.310 -3.033 1.00 0.00 S ATOM 389 CE MET A 30 -1.018 14.568 -2.332 1.00 0.00 C ATOM 0 H MET A 30 0.948 13.899 1.144 1.00 0.00 H new ATOM 0 HA MET A 30 -1.081 12.711 -0.512 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.839 12.075 -0.021 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.830 11.194 -1.151 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.451 14.159 -1.306 1.00 0.00 H new ATOM 0 HG3 MET A 30 2.250 12.907 -2.236 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.604 15.035 -3.124 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.690 14.116 -1.603 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.404 15.323 -1.841 1.00 0.00 H new ATOM 399 N VAL A 31 -0.326 11.418 2.328 1.00 0.00 N ATOM 400 CA VAL A 31 -0.741 10.403 3.286 1.00 0.00 C ATOM 401 C VAL A 31 -2.249 10.447 3.439 1.00 0.00 C ATOM 402 O VAL A 31 -2.924 9.419 3.421 1.00 0.00 O ATOM 403 CB VAL A 31 -0.085 10.607 4.665 1.00 0.00 C ATOM 404 CG1 VAL A 31 -0.441 9.468 5.612 1.00 0.00 C ATOM 405 CG2 VAL A 31 1.418 10.733 4.518 1.00 0.00 C ATOM 0 H VAL A 31 0.180 12.204 2.736 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.421 9.434 2.904 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.471 11.532 5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.035 9.636 6.578 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.522 9.427 5.742 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.090 8.524 5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.869 10.877 5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.817 9.825 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.651 11.588 3.883 1.00 0.00 H new ATOM 415 N GLY A 32 -2.777 11.658 3.559 1.00 0.00 N ATOM 416 CA GLY A 32 -4.215 11.827 3.632 1.00 0.00 C ATOM 417 C GLY A 32 -4.911 11.347 2.371 1.00 0.00 C ATOM 418 O GLY A 32 -6.042 10.866 2.421 1.00 0.00 O ATOM 0 H GLY A 32 -2.238 12.523 3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.601 11.277 4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.448 12.879 3.796 1.00 0.00 H new ATOM 422 N LEU A 33 -4.238 11.472 1.233 1.00 0.00 N ATOM 423 CA LEU A 33 -4.822 11.032 -0.032 1.00 0.00 C ATOM 424 C LEU A 33 -4.537 9.559 -0.341 1.00 0.00 C ATOM 425 O LEU A 33 -5.276 8.940 -1.108 1.00 0.00 O ATOM 426 CB LEU A 33 -4.347 11.907 -1.192 1.00 0.00 C ATOM 427 CG LEU A 33 -4.894 13.335 -1.215 1.00 0.00 C ATOM 428 CD1 LEU A 33 -4.417 14.057 -2.463 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.414 13.324 -1.152 1.00 0.00 C ATOM 0 H LEU A 33 -3.301 11.868 1.158 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.901 11.138 0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.258 11.955 -1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.620 11.418 -2.127 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.520 13.867 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.812 15.073 -2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.328 14.092 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.768 13.526 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.786 14.348 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.810 12.780 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.737 12.836 -0.232 1.00 0.00 H new ATOM 441 N ILE A 34 -3.479 8.991 0.233 1.00 0.00 N ATOM 442 CA ILE A 34 -3.163 7.584 -0.011 1.00 0.00 C ATOM 443 C ILE A 34 -4.189 6.705 0.686 1.00 0.00 C ATOM 444 O ILE A 34 -4.500 5.602 0.235 1.00 0.00 O ATOM 445 CB ILE A 34 -1.726 7.199 0.438 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.343 5.829 -0.125 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.592 7.188 1.953 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.298 5.789 -1.638 1.00 0.00 C ATOM 0 H ILE A 34 -2.835 9.473 0.860 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.203 7.424 -1.088 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.048 7.957 0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.367 5.544 0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.058 5.087 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.573 6.914 2.226 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.819 8.179 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.288 6.463 2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.020 4.788 -1.967 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.280 6.043 -2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.562 6.507 -1.999 1.00 0.00 H new ATOM 460 N ILE A 35 -4.721 7.212 1.785 1.00 0.00 N ATOM 461 CA ILE A 35 -5.850 6.582 2.438 1.00 0.00 C ATOM 462 C ILE A 35 -7.147 7.046 1.808 1.00 0.00 C ATOM 463 O ILE A 35 -8.198 6.438 2.027 1.00 0.00 O ATOM 464 CB ILE A 35 -5.892 6.874 3.943 1.00 0.00 C ATOM 465 CG1 ILE A 35 -5.685 8.368 4.219 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.861 6.032 4.669 1.00 0.00 C ATOM 467 CD1 ILE A 35 -5.652 8.728 5.690 1.00 0.00 C ATOM 0 H ILE A 35 -4.387 8.060 2.243 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.730 5.507 2.306 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.879 6.606 4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.750 8.685 3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.485 8.930 3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.901 6.249 5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.073 4.976 4.505 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.867 6.266 4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.502 9.802 5.798 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.596 8.445 6.155 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.834 8.197 6.176 1.00 0.00 H new ATOM 479 N GLY A 36 -7.051 8.133 1.041 1.00 0.00 N ATOM 480 CA GLY A 36 -8.193 8.697 0.343 1.00 0.00 C ATOM 481 C GLY A 36 -9.327 9.034 1.275 1.00 0.00 C ATOM 482 O GLY A 36 -9.389 10.128 1.835 1.00 0.00 O ATOM 0 H GLY A 36 -6.180 8.641 0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.883 9.597 -0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.542 7.989 -0.408 1.00 0.00 H new ATOM 486 N ARG A 37 -10.202 8.064 1.458 1.00 0.00 N ATOM 487 CA ARG A 37 -11.340 8.180 2.351 1.00 0.00 C ATOM 488 C ARG A 37 -10.924 8.035 3.812 1.00 0.00 C ATOM 489 O ARG A 37 -11.513 7.262 4.571 1.00 0.00 O ATOM 490 CB ARG A 37 -12.373 7.125 1.981 1.00 0.00 C ATOM 491 CG ARG A 37 -11.763 5.796 1.555 1.00 0.00 C ATOM 492 CD ARG A 37 -12.859 4.824 1.142 1.00 0.00 C ATOM 493 NE ARG A 37 -12.347 3.547 0.641 1.00 0.00 N ATOM 494 CZ ARG A 37 -11.892 3.348 -0.600 1.00 0.00 C ATOM 495 NH1 ARG A 37 -11.753 4.362 -1.445 1.00 0.00 N ATOM 496 NH2 ARG A 37 -11.578 2.122 -0.999 1.00 0.00 N ATOM 0 H ARG A 37 -10.142 7.162 0.985 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.773 9.174 2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.030 6.957 2.835 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.995 7.506 1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.074 5.953 0.725 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.183 5.374 2.376 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.508 4.636 1.997 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.474 5.288 0.371 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.337 2.755 1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.995 5.308 -1.150 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.405 4.195 -2.389 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.684 1.335 -0.359 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.231 1.967 -1.945 1.00 0.00 H new ATOM 510 N GLY A 38 -9.885 8.765 4.183 1.00 0.00 N ATOM 511 CA GLY A 38 -9.468 8.859 5.566 1.00 0.00 C ATOM 512 C GLY A 38 -8.905 7.574 6.154 1.00 0.00 C ATOM 513 O GLY A 38 -8.727 7.482 7.368 1.00 0.00 O ATOM 0 H GLY A 38 -9.312 9.305 3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.713 9.641 5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.321 9.173 6.167 1.00 0.00 H new ATOM 517 N GLY A 39 -8.622 6.580 5.323 1.00 0.00 N ATOM 518 CA GLY A 39 -7.959 5.394 5.834 1.00 0.00 C ATOM 519 C GLY A 39 -8.331 4.130 5.096 1.00 0.00 C ATOM 520 O GLY A 39 -7.470 3.310 4.781 1.00 0.00 O ATOM 0 H GLY A 39 -8.833 6.570 4.325 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.880 5.536 5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.206 5.275 6.889 1.00 0.00 H new ATOM 524 N GLU A 40 -9.614 3.993 4.792 1.00 0.00 N ATOM 525 CA GLU A 40 -10.155 2.754 4.239 1.00 0.00 C ATOM 526 C GLU A 40 -9.470 2.336 2.941 1.00 0.00 C ATOM 527 O GLU A 40 -9.332 1.143 2.673 1.00 0.00 O ATOM 528 CB GLU A 40 -11.655 2.906 4.008 1.00 0.00 C ATOM 529 CG GLU A 40 -12.322 1.662 3.445 1.00 0.00 C ATOM 530 CD GLU A 40 -13.823 1.809 3.375 1.00 0.00 C ATOM 531 OE1 GLU A 40 -14.468 1.821 4.442 1.00 0.00 O ATOM 532 OE2 GLU A 40 -14.361 1.921 2.255 1.00 0.00 O ATOM 0 H GLU A 40 -10.307 4.730 4.920 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.963 1.966 4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.133 3.167 4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.825 3.738 3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.930 1.460 2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.070 0.803 4.066 1.00 0.00 H new ATOM 539 N GLN A 41 -9.026 3.302 2.141 1.00 0.00 N ATOM 540 CA GLN A 41 -8.485 2.986 0.826 1.00 0.00 C ATOM 541 C GLN A 41 -7.252 2.100 0.930 1.00 0.00 C ATOM 542 O GLN A 41 -7.197 1.051 0.300 1.00 0.00 O ATOM 543 CB GLN A 41 -8.133 4.239 0.034 1.00 0.00 C ATOM 544 CG GLN A 41 -7.927 3.976 -1.445 1.00 0.00 C ATOM 545 CD GLN A 41 -7.488 5.212 -2.196 1.00 0.00 C ATOM 546 OE1 GLN A 41 -8.310 5.967 -2.709 1.00 0.00 O ATOM 547 NE2 GLN A 41 -6.187 5.432 -2.256 1.00 0.00 N ATOM 0 H GLN A 41 -9.030 4.294 2.377 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.272 2.449 0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.928 4.974 0.158 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.225 4.679 0.448 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.179 3.193 -1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.855 3.602 -1.877 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.539 4.779 -1.816 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.831 6.255 -2.742 1.00 0.00 H new ATOM 556 N ILE A 42 -6.269 2.511 1.732 1.00 0.00 N ATOM 557 CA ILE A 42 -5.027 1.753 1.838 1.00 0.00 C ATOM 558 C ILE A 42 -5.298 0.359 2.382 1.00 0.00 C ATOM 559 O ILE A 42 -4.747 -0.614 1.880 1.00 0.00 O ATOM 560 CB ILE A 42 -3.950 2.460 2.703 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.628 1.689 2.653 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.408 2.627 4.143 1.00 0.00 C ATOM 563 CD1 ILE A 42 -2.027 1.616 1.266 1.00 0.00 C ATOM 0 H ILE A 42 -6.309 3.352 2.308 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.625 1.683 0.827 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.795 3.455 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.914 2.163 3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.792 0.677 3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.627 3.126 4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.317 3.228 4.168 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.608 1.647 4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.092 1.056 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.723 1.115 0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.832 2.624 0.901 1.00 0.00 H new ATOM 575 N ASN A 43 -6.178 0.265 3.379 1.00 0.00 N ATOM 576 CA ASN A 43 -6.564 -1.027 3.935 1.00 0.00 C ATOM 577 C ASN A 43 -7.140 -1.894 2.828 1.00 0.00 C ATOM 578 O ASN A 43 -6.746 -3.039 2.644 1.00 0.00 O ATOM 579 CB ASN A 43 -7.618 -0.858 5.034 1.00 0.00 C ATOM 580 CG ASN A 43 -7.858 -2.135 5.817 1.00 0.00 C ATOM 581 OD1 ASN A 43 -6.934 -2.905 6.071 1.00 0.00 O ATOM 582 ND2 ASN A 43 -9.103 -2.373 6.189 1.00 0.00 N ATOM 0 H ASN A 43 -6.634 1.066 3.815 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.680 -1.496 4.367 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.300 -0.071 5.718 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.556 -0.530 4.585 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.327 -3.222 6.708 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.840 -1.707 5.958 1.00 0.00 H new ATOM 589 N LYS A 44 -8.050 -1.302 2.070 1.00 0.00 N ATOM 590 CA LYS A 44 -8.714 -1.974 0.967 1.00 0.00 C ATOM 591 C LYS A 44 -7.700 -2.434 -0.082 1.00 0.00 C ATOM 592 O LYS A 44 -7.810 -3.533 -0.619 1.00 0.00 O ATOM 593 CB LYS A 44 -9.748 -1.019 0.356 1.00 0.00 C ATOM 594 CG LYS A 44 -10.620 -1.640 -0.718 1.00 0.00 C ATOM 595 CD LYS A 44 -10.049 -1.414 -2.102 1.00 0.00 C ATOM 596 CE LYS A 44 -10.791 -2.234 -3.140 1.00 0.00 C ATOM 597 NZ LYS A 44 -10.637 -3.696 -2.900 1.00 0.00 N ATOM 0 H LYS A 44 -8.349 -0.336 2.205 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.221 -2.866 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.389 -0.640 1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.226 -0.162 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.717 -2.710 -0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.622 -1.215 -0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.113 -0.356 -2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.992 -1.681 -2.111 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.849 -1.972 -3.123 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.418 -1.987 -4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.264 -4.151 -3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.977 -3.851 -2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.562 -4.108 -2.663 1.00 0.00 H new ATOM 611 N ILE A 45 -6.711 -1.592 -0.355 1.00 0.00 N ATOM 612 CA ILE A 45 -5.689 -1.890 -1.355 1.00 0.00 C ATOM 613 C ILE A 45 -4.747 -2.994 -0.879 1.00 0.00 C ATOM 614 O ILE A 45 -4.514 -3.975 -1.592 1.00 0.00 O ATOM 615 CB ILE A 45 -4.854 -0.635 -1.697 1.00 0.00 C ATOM 616 CG1 ILE A 45 -5.753 0.458 -2.280 1.00 0.00 C ATOM 617 CG2 ILE A 45 -3.734 -0.983 -2.673 1.00 0.00 C ATOM 618 CD1 ILE A 45 -5.081 1.810 -2.367 1.00 0.00 C ATOM 0 H ILE A 45 -6.593 -0.690 0.106 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.216 -2.228 -2.248 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.402 -0.261 -0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.077 0.158 -3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.649 0.546 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.158 -0.086 -2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.079 -1.730 -2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.163 -1.382 -3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.776 2.535 -2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.781 2.132 -1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.200 1.738 -3.005 1.00 0.00 H new ATOM 630 N GLN A 46 -4.212 -2.837 0.325 1.00 0.00 N ATOM 631 CA GLN A 46 -3.231 -3.777 0.843 1.00 0.00 C ATOM 632 C GLN A 46 -3.884 -5.110 1.196 1.00 0.00 C ATOM 633 O GLN A 46 -3.241 -6.155 1.144 1.00 0.00 O ATOM 634 CB GLN A 46 -2.469 -3.172 2.038 1.00 0.00 C ATOM 635 CG GLN A 46 -3.330 -2.763 3.226 1.00 0.00 C ATOM 636 CD GLN A 46 -3.341 -3.794 4.338 1.00 0.00 C ATOM 637 OE1 GLN A 46 -4.162 -4.712 4.351 1.00 0.00 O ATOM 638 NE2 GLN A 46 -2.429 -3.639 5.288 1.00 0.00 N ATOM 0 H GLN A 46 -4.441 -2.070 0.958 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.499 -3.976 0.060 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.730 -3.897 2.380 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.920 -2.297 1.691 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.965 -1.815 3.622 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.352 -2.594 2.885 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.767 -2.864 5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.389 -4.295 6.068 1.00 0.00 H new ATOM 647 N GLN A 47 -5.168 -5.077 1.523 1.00 0.00 N ATOM 648 CA GLN A 47 -5.915 -6.295 1.809 1.00 0.00 C ATOM 649 C GLN A 47 -6.298 -6.997 0.508 1.00 0.00 C ATOM 650 O GLN A 47 -6.312 -8.227 0.427 1.00 0.00 O ATOM 651 CB GLN A 47 -7.168 -5.963 2.628 1.00 0.00 C ATOM 652 CG GLN A 47 -7.920 -7.174 3.153 1.00 0.00 C ATOM 653 CD GLN A 47 -7.219 -7.878 4.310 1.00 0.00 C ATOM 654 OE1 GLN A 47 -7.868 -8.492 5.152 1.00 0.00 O ATOM 655 NE2 GLN A 47 -5.898 -7.789 4.372 1.00 0.00 N ATOM 0 H GLN A 47 -5.715 -4.219 1.597 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.285 -6.967 2.392 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.879 -5.337 3.472 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.844 -5.372 2.010 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.913 -6.861 3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.060 -7.885 2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.388 -7.271 3.657 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.392 -8.238 5.135 1.00 0.00 H new ATOM 664 N ASP A 48 -6.604 -6.196 -0.508 1.00 0.00 N ATOM 665 CA ASP A 48 -6.948 -6.704 -1.834 1.00 0.00 C ATOM 666 C ASP A 48 -5.778 -7.467 -2.443 1.00 0.00 C ATOM 667 O ASP A 48 -5.950 -8.538 -3.031 1.00 0.00 O ATOM 668 CB ASP A 48 -7.340 -5.537 -2.744 1.00 0.00 C ATOM 669 CG ASP A 48 -7.538 -5.940 -4.191 1.00 0.00 C ATOM 670 OD1 ASP A 48 -8.639 -6.417 -4.534 1.00 0.00 O ATOM 671 OD2 ASP A 48 -6.604 -5.750 -4.999 1.00 0.00 O ATOM 0 H ASP A 48 -6.621 -5.179 -0.437 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.789 -7.390 -1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.261 -5.089 -2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.568 -4.770 -2.691 1.00 0.00 H new ATOM 676 N SER A 49 -4.589 -6.912 -2.289 1.00 0.00 N ATOM 677 CA SER A 49 -3.392 -7.511 -2.846 1.00 0.00 C ATOM 678 C SER A 49 -2.811 -8.572 -1.914 1.00 0.00 C ATOM 679 O SER A 49 -2.349 -9.619 -2.364 1.00 0.00 O ATOM 680 CB SER A 49 -2.358 -6.422 -3.135 1.00 0.00 C ATOM 681 OG SER A 49 -2.223 -5.544 -2.028 1.00 0.00 O ATOM 0 H SER A 49 -4.428 -6.043 -1.780 1.00 0.00 H new ATOM 0 HA SER A 49 -3.659 -8.009 -3.778 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.395 -6.880 -3.360 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.656 -5.857 -4.018 1.00 0.00 H new ATOM 0 HG SER A 49 -2.982 -4.924 -2.008 1.00 0.00 H new ATOM 687 N GLY A 50 -2.854 -8.304 -0.613 1.00 0.00 N ATOM 688 CA GLY A 50 -2.287 -9.217 0.358 1.00 0.00 C ATOM 689 C GLY A 50 -0.964 -8.709 0.895 1.00 0.00 C ATOM 690 O GLY A 50 -0.228 -9.436 1.564 1.00 0.00 O ATOM 0 H GLY A 50 -3.275 -7.465 -0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.987 -9.353 1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.142 -10.195 -0.102 1.00 0.00 H new ATOM 694 N CYS A 51 -0.666 -7.452 0.589 1.00 0.00 N ATOM 695 CA CYS A 51 0.578 -6.828 1.013 1.00 0.00 C ATOM 696 C CYS A 51 0.423 -6.236 2.405 1.00 0.00 C ATOM 697 O CYS A 51 -0.677 -5.886 2.830 1.00 0.00 O ATOM 698 CB CYS A 51 0.991 -5.752 0.007 1.00 0.00 C ATOM 699 SG CYS A 51 2.555 -4.921 0.378 1.00 0.00 S ATOM 0 H CYS A 51 -1.275 -6.842 0.044 1.00 0.00 H new ATOM 0 HA CYS A 51 1.361 -7.585 1.051 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.064 -6.208 -0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.202 -5.002 -0.045 1.00 0.00 H new ATOM 0 HG CYS A 51 2.471 -4.334 1.535 1.00 0.00 H new ATOM 705 N LYS A 52 1.534 -6.120 3.104 1.00 0.00 N ATOM 706 CA LYS A 52 1.543 -5.659 4.476 1.00 0.00 C ATOM 707 C LYS A 52 2.068 -4.238 4.522 1.00 0.00 C ATOM 708 O LYS A 52 3.189 -3.968 4.961 1.00 0.00 O ATOM 709 CB LYS A 52 2.395 -6.619 5.302 1.00 0.00 C ATOM 710 CG LYS A 52 1.986 -8.057 5.044 1.00 0.00 C ATOM 711 CD LYS A 52 2.970 -9.069 5.589 1.00 0.00 C ATOM 712 CE LYS A 52 2.808 -10.384 4.850 1.00 0.00 C ATOM 713 NZ LYS A 52 3.448 -11.524 5.560 1.00 0.00 N ATOM 0 H LYS A 52 2.458 -6.344 2.735 1.00 0.00 H new ATOM 0 HA LYS A 52 0.538 -5.648 4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.448 -6.485 5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.286 -6.389 6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.008 -8.235 5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.877 -8.209 3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.989 -8.699 5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.802 -9.217 6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.747 -10.593 4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.241 -10.292 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.308 -12.397 5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.466 -11.341 5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.018 -11.633 6.501 1.00 0.00 H new ATOM 727 N VAL A 53 1.236 -3.334 4.034 1.00 0.00 N ATOM 728 CA VAL A 53 1.598 -1.937 3.904 1.00 0.00 C ATOM 729 C VAL A 53 1.416 -1.223 5.232 1.00 0.00 C ATOM 730 O VAL A 53 0.313 -1.184 5.781 1.00 0.00 O ATOM 731 CB VAL A 53 0.739 -1.247 2.825 1.00 0.00 C ATOM 732 CG1 VAL A 53 1.198 0.179 2.582 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.767 -2.043 1.531 1.00 0.00 C ATOM 0 H VAL A 53 0.291 -3.550 3.717 1.00 0.00 H new ATOM 0 HA VAL A 53 2.645 -1.884 3.605 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.287 -1.210 3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.572 0.637 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.116 0.750 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.236 0.175 2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.155 -1.541 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.793 -2.117 1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.372 -3.043 1.710 1.00 0.00 H new ATOM 743 N GLN A 54 2.504 -0.684 5.750 1.00 0.00 N ATOM 744 CA GLN A 54 2.489 -0.022 7.042 1.00 0.00 C ATOM 745 C GLN A 54 2.757 1.459 6.891 1.00 0.00 C ATOM 746 O GLN A 54 3.801 1.868 6.377 1.00 0.00 O ATOM 747 CB GLN A 54 3.517 -0.669 7.967 1.00 0.00 C ATOM 748 CG GLN A 54 3.178 -2.112 8.287 1.00 0.00 C ATOM 749 CD GLN A 54 1.916 -2.234 9.118 1.00 0.00 C ATOM 750 OE1 GLN A 54 1.972 -2.372 10.339 1.00 0.00 O ATOM 751 NE2 GLN A 54 0.768 -2.101 8.472 1.00 0.00 N ATOM 0 H GLN A 54 3.416 -0.692 5.292 1.00 0.00 H new ATOM 0 HA GLN A 54 1.499 -0.136 7.484 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.501 -0.625 7.500 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.578 -0.099 8.894 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.054 -2.669 7.358 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.010 -2.568 8.824 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.763 -1.989 7.458 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.112 -2.111 8.988 1.00 0.00 H new ATOM 760 N ILE A 55 1.805 2.259 7.330 1.00 0.00 N ATOM 761 CA ILE A 55 1.938 3.695 7.247 1.00 0.00 C ATOM 762 C ILE A 55 2.740 4.188 8.445 1.00 0.00 C ATOM 763 O ILE A 55 2.187 4.435 9.516 1.00 0.00 O ATOM 764 CB ILE A 55 0.562 4.403 7.199 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.303 3.833 6.068 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.736 5.902 7.014 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.301 3.996 4.690 1.00 0.00 C ATOM 0 H ILE A 55 0.932 1.936 7.747 1.00 0.00 H new ATOM 0 HA ILE A 55 2.457 3.938 6.320 1.00 0.00 H new ATOM 0 HB ILE A 55 0.058 4.223 8.149 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.475 2.773 6.255 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.277 4.322 6.087 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.243 6.381 6.983 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.312 6.307 7.846 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.264 6.094 6.080 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.370 3.568 3.946 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.448 5.055 4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.261 3.482 4.651 1.00 0.00 H new ATOM 779 N SER A 56 4.045 4.310 8.254 1.00 0.00 N ATOM 780 CA SER A 56 4.962 4.608 9.341 1.00 0.00 C ATOM 781 C SER A 56 4.953 6.095 9.679 1.00 0.00 C ATOM 782 O SER A 56 5.426 6.930 8.897 1.00 0.00 O ATOM 783 CB SER A 56 6.377 4.155 8.963 1.00 0.00 C ATOM 784 OG SER A 56 7.278 4.268 10.052 1.00 0.00 O ATOM 0 H SER A 56 4.496 4.206 7.345 1.00 0.00 H new ATOM 0 HA SER A 56 4.634 4.064 10.227 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.348 3.120 8.622 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.739 4.755 8.128 1.00 0.00 H new ATOM 0 HG SER A 56 8.168 3.969 9.772 1.00 0.00 H new ATOM 790 N PRO A 57 4.415 6.432 10.864 1.00 0.00 N ATOM 791 CA PRO A 57 4.364 7.797 11.368 1.00 0.00 C ATOM 792 C PRO A 57 5.691 8.203 11.987 1.00 0.00 C ATOM 793 O PRO A 57 5.914 9.368 12.304 1.00 0.00 O ATOM 794 CB PRO A 57 3.260 7.754 12.437 1.00 0.00 C ATOM 795 CG PRO A 57 2.752 6.347 12.462 1.00 0.00 C ATOM 796 CD PRO A 57 3.810 5.504 11.819 1.00 0.00 C ATOM 0 HA PRO A 57 4.166 8.524 10.580 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.652 8.043 13.412 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.458 8.452 12.196 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.563 6.020 13.485 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.809 6.265 11.922 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.536 5.139 12.546 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.387 4.630 11.324 1.00 0.00 H new ATOM 804 N ASP A 58 6.571 7.223 12.140 1.00 0.00 N ATOM 805 CA ASP A 58 7.894 7.459 12.687 1.00 0.00 C ATOM 806 C ASP A 58 8.769 8.069 11.610 1.00 0.00 C ATOM 807 O ASP A 58 9.579 8.951 11.876 1.00 0.00 O ATOM 808 CB ASP A 58 8.521 6.149 13.179 1.00 0.00 C ATOM 809 CG ASP A 58 7.665 5.419 14.196 1.00 0.00 C ATOM 810 OD1 ASP A 58 6.670 4.779 13.795 1.00 0.00 O ATOM 811 OD2 ASP A 58 7.984 5.468 15.403 1.00 0.00 O ATOM 0 H ASP A 58 6.388 6.251 11.890 1.00 0.00 H new ATOM 0 HA ASP A 58 7.812 8.139 13.535 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.696 5.495 12.325 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.494 6.363 13.621 1.00 0.00 H new ATOM 816 N SER A 59 8.569 7.579 10.382 1.00 0.00 N ATOM 817 CA SER A 59 9.223 8.103 9.183 1.00 0.00 C ATOM 818 C SER A 59 10.724 7.784 9.156 1.00 0.00 C ATOM 819 O SER A 59 11.205 7.120 8.238 1.00 0.00 O ATOM 820 CB SER A 59 8.968 9.606 9.046 1.00 0.00 C ATOM 821 OG SER A 59 7.587 9.897 9.202 1.00 0.00 O ATOM 0 H SER A 59 7.941 6.798 10.193 1.00 0.00 H new ATOM 0 HA SER A 59 8.783 7.600 8.322 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.546 10.148 9.795 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.309 9.950 8.070 1.00 0.00 H new ATOM 0 HG SER A 59 7.444 10.862 9.113 1.00 0.00 H new ATOM 827 N GLY A 60 11.457 8.252 10.159 1.00 0.00 N ATOM 828 CA GLY A 60 12.863 7.917 10.283 1.00 0.00 C ATOM 829 C GLY A 60 13.751 8.790 9.424 1.00 0.00 C ATOM 830 O GLY A 60 14.239 9.826 9.874 1.00 0.00 O ATOM 0 H GLY A 60 11.099 8.862 10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.165 8.015 11.326 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.009 6.873 10.005 1.00 0.00 H new ATOM 834 N GLY A 61 13.947 8.375 8.183 1.00 0.00 N ATOM 835 CA GLY A 61 14.779 9.123 7.262 1.00 0.00 C ATOM 836 C GLY A 61 13.993 10.179 6.526 1.00 0.00 C ATOM 837 O GLY A 61 14.517 10.873 5.657 1.00 0.00 O ATOM 0 H GLY A 61 13.541 7.525 7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.595 9.594 7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.231 8.439 6.543 1.00 0.00 H new ATOM 841 N LEU A 62 12.727 10.293 6.880 1.00 0.00 N ATOM 842 CA LEU A 62 11.793 11.118 6.143 1.00 0.00 C ATOM 843 C LEU A 62 11.146 12.136 7.080 1.00 0.00 C ATOM 844 O LEU A 62 10.844 11.818 8.230 1.00 0.00 O ATOM 845 CB LEU A 62 10.715 10.228 5.495 1.00 0.00 C ATOM 846 CG LEU A 62 11.205 9.215 4.436 1.00 0.00 C ATOM 847 CD1 LEU A 62 12.020 8.085 5.046 1.00 0.00 C ATOM 848 CD2 LEU A 62 10.031 8.624 3.692 1.00 0.00 C ATOM 0 H LEU A 62 12.319 9.817 7.685 1.00 0.00 H new ATOM 0 HA LEU A 62 12.327 11.655 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.207 9.676 6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.972 10.876 5.030 1.00 0.00 H new ATOM 0 HG LEU A 62 11.849 9.767 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.340 7.401 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.896 8.497 5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.409 7.545 5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.392 7.912 2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.374 8.113 4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.478 9.420 3.193 1.00 0.00 H new ATOM 860 N PRO A 63 10.963 13.385 6.621 1.00 0.00 N ATOM 861 CA PRO A 63 10.309 14.434 7.411 1.00 0.00 C ATOM 862 C PRO A 63 8.797 14.418 7.238 1.00 0.00 C ATOM 863 O PRO A 63 8.049 14.891 8.093 1.00 0.00 O ATOM 864 CB PRO A 63 10.884 15.699 6.789 1.00 0.00 C ATOM 865 CG PRO A 63 10.959 15.352 5.344 1.00 0.00 C ATOM 866 CD PRO A 63 11.414 13.909 5.309 1.00 0.00 C ATOM 0 HA PRO A 63 10.481 14.328 8.482 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.243 16.563 6.965 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.865 15.941 7.198 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.990 15.472 4.859 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.661 16.000 4.819 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.963 13.364 4.480 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.495 13.829 5.193 1.00 0.00 H new ATOM 874 N GLU A 64 8.364 13.875 6.112 1.00 0.00 N ATOM 875 CA GLU A 64 6.968 13.872 5.744 1.00 0.00 C ATOM 876 C GLU A 64 6.264 12.640 6.309 1.00 0.00 C ATOM 877 O GLU A 64 5.655 12.703 7.379 1.00 0.00 O ATOM 878 CB GLU A 64 6.843 13.966 4.215 1.00 0.00 C ATOM 879 CG GLU A 64 7.856 13.113 3.447 1.00 0.00 C ATOM 880 CD GLU A 64 8.679 13.914 2.457 1.00 0.00 C ATOM 881 OE1 GLU A 64 8.088 14.684 1.673 1.00 0.00 O ATOM 882 OE2 GLU A 64 9.924 13.774 2.468 1.00 0.00 O ATOM 0 H GLU A 64 8.975 13.425 5.431 1.00 0.00 H new ATOM 0 HA GLU A 64 6.472 14.741 6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.837 13.663 3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.961 15.007 3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.525 12.627 4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.327 12.322 2.915 1.00 0.00 H new ATOM 889 N ARG A 65 6.351 11.526 5.602 1.00 0.00 N ATOM 890 CA ARG A 65 5.840 10.264 6.093 1.00 0.00 C ATOM 891 C ARG A 65 6.495 9.134 5.316 1.00 0.00 C ATOM 892 O ARG A 65 6.925 9.339 4.178 1.00 0.00 O ATOM 893 CB ARG A 65 4.324 10.218 5.923 1.00 0.00 C ATOM 894 CG ARG A 65 3.629 9.254 6.865 1.00 0.00 C ATOM 895 CD ARG A 65 4.014 9.536 8.305 1.00 0.00 C ATOM 896 NE ARG A 65 3.872 10.950 8.653 1.00 0.00 N ATOM 897 CZ ARG A 65 2.960 11.430 9.495 1.00 0.00 C ATOM 898 NH1 ARG A 65 2.047 10.620 10.023 1.00 0.00 N ATOM 899 NH2 ARG A 65 2.949 12.721 9.795 1.00 0.00 N ATOM 0 H ARG A 65 6.776 11.474 4.676 1.00 0.00 H new ATOM 0 HA ARG A 65 6.071 10.156 7.153 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.920 11.218 6.080 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.092 9.938 4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.549 9.341 6.749 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.896 8.229 6.606 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.391 8.937 8.969 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.046 9.226 8.470 1.00 0.00 H new ATOM 0 HE ARG A 65 4.516 11.613 8.221 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.045 9.629 9.783 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.349 10.990 10.668 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.640 13.347 9.380 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.250 13.089 10.440 1.00 0.00 H new ATOM 913 N SER A 66 6.593 7.955 5.909 1.00 0.00 N ATOM 914 CA SER A 66 7.184 6.837 5.208 1.00 0.00 C ATOM 915 C SER A 66 6.221 5.665 5.183 1.00 0.00 C ATOM 916 O SER A 66 5.644 5.297 6.204 1.00 0.00 O ATOM 917 CB SER A 66 8.518 6.442 5.851 1.00 0.00 C ATOM 918 OG SER A 66 8.345 6.026 7.194 1.00 0.00 O ATOM 0 H SER A 66 6.276 7.753 6.857 1.00 0.00 H new ATOM 0 HA SER A 66 7.385 7.135 4.179 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.976 5.637 5.276 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.204 7.288 5.817 1.00 0.00 H new ATOM 0 HG SER A 66 9.179 5.631 7.524 1.00 0.00 H new ATOM 924 N VAL A 67 6.014 5.106 4.012 1.00 0.00 N ATOM 925 CA VAL A 67 5.164 3.943 3.878 1.00 0.00 C ATOM 926 C VAL A 67 6.018 2.712 3.663 1.00 0.00 C ATOM 927 O VAL A 67 6.737 2.615 2.669 1.00 0.00 O ATOM 928 CB VAL A 67 4.166 4.089 2.709 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.372 2.809 2.513 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.225 5.257 2.953 1.00 0.00 C ATOM 0 H VAL A 67 6.422 5.437 3.138 1.00 0.00 H new ATOM 0 HA VAL A 67 4.588 3.846 4.798 1.00 0.00 H new ATOM 0 HB VAL A 67 4.737 4.283 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.676 2.936 1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.054 1.988 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.816 2.583 3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.529 5.344 2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.667 5.089 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.803 6.177 3.041 1.00 0.00 H new ATOM 940 N SER A 68 5.970 1.791 4.610 1.00 0.00 N ATOM 941 CA SER A 68 6.681 0.546 4.460 1.00 0.00 C ATOM 942 C SER A 68 5.896 -0.387 3.573 1.00 0.00 C ATOM 943 O SER A 68 4.749 -0.738 3.865 1.00 0.00 O ATOM 944 CB SER A 68 6.916 -0.139 5.790 1.00 0.00 C ATOM 945 OG SER A 68 7.765 0.624 6.639 1.00 0.00 O ATOM 0 H SER A 68 5.449 1.886 5.482 1.00 0.00 H new ATOM 0 HA SER A 68 7.649 0.780 4.016 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.960 -0.304 6.287 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.360 -1.120 5.619 1.00 0.00 H new ATOM 0 HG SER A 68 7.891 0.150 7.487 1.00 0.00 H new ATOM 951 N LEU A 69 6.510 -0.774 2.487 1.00 0.00 N ATOM 952 CA LEU A 69 5.882 -1.652 1.546 1.00 0.00 C ATOM 953 C LEU A 69 6.574 -3.005 1.495 1.00 0.00 C ATOM 954 O LEU A 69 7.672 -3.137 0.952 1.00 0.00 O ATOM 955 CB LEU A 69 5.899 -0.979 0.195 1.00 0.00 C ATOM 956 CG LEU A 69 5.004 0.255 0.097 1.00 0.00 C ATOM 957 CD1 LEU A 69 5.450 1.158 -1.037 1.00 0.00 C ATOM 958 CD2 LEU A 69 3.559 -0.167 -0.099 1.00 0.00 C ATOM 0 H LEU A 69 7.456 -0.489 2.233 1.00 0.00 H new ATOM 0 HA LEU A 69 4.854 -1.844 1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.923 -0.690 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.588 -1.700 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 69 5.086 0.817 1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.797 2.030 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.476 1.482 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.398 0.612 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.927 0.719 -0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.471 -0.748 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.240 -0.775 0.747 1.00 0.00 H new ATOM 970 N THR A 70 5.928 -3.997 2.094 1.00 0.00 N ATOM 971 CA THR A 70 6.424 -5.364 2.106 1.00 0.00 C ATOM 972 C THR A 70 5.239 -6.329 2.166 1.00 0.00 C ATOM 973 O THR A 70 4.233 -6.017 2.796 1.00 0.00 O ATOM 974 CB THR A 70 7.329 -5.614 3.328 1.00 0.00 C ATOM 975 OG1 THR A 70 8.196 -4.495 3.550 1.00 0.00 O ATOM 976 CG2 THR A 70 8.165 -6.858 3.125 1.00 0.00 C ATOM 0 H THR A 70 5.043 -3.874 2.586 1.00 0.00 H new ATOM 0 HA THR A 70 7.006 -5.526 1.199 1.00 0.00 H new ATOM 0 HB THR A 70 6.686 -5.750 4.198 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.108 -4.815 3.712 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.797 -7.018 3.998 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.510 -7.718 2.989 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.791 -6.735 2.241 1.00 0.00 H new ATOM 984 N GLY A 71 5.334 -7.486 1.517 1.00 0.00 N ATOM 985 CA GLY A 71 4.231 -8.432 1.564 1.00 0.00 C ATOM 986 C GLY A 71 4.480 -9.694 0.765 1.00 0.00 C ATOM 987 O GLY A 71 5.136 -10.618 1.235 1.00 0.00 O ATOM 0 H GLY A 71 6.140 -7.783 0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.039 -8.702 2.602 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.330 -7.946 1.189 1.00 0.00 H new ATOM 991 N ALA A 72 3.947 -9.731 -0.442 1.00 0.00 N ATOM 992 CA ALA A 72 4.054 -10.901 -1.299 1.00 0.00 C ATOM 993 C ALA A 72 4.348 -10.454 -2.727 1.00 0.00 C ATOM 994 O ALA A 72 4.188 -9.274 -3.029 1.00 0.00 O ATOM 995 CB ALA A 72 2.770 -11.719 -1.227 1.00 0.00 C ATOM 0 H ALA A 72 3.430 -8.956 -0.856 1.00 0.00 H new ATOM 0 HA ALA A 72 4.872 -11.536 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.859 -12.593 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.601 -12.042 -0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.930 -11.108 -1.558 1.00 0.00 H new ATOM 1001 N PRO A 73 4.785 -11.374 -3.614 1.00 0.00 N ATOM 1002 CA PRO A 73 5.175 -11.038 -4.994 1.00 0.00 C ATOM 1003 C PRO A 73 4.190 -10.099 -5.694 1.00 0.00 C ATOM 1004 O PRO A 73 4.518 -8.950 -5.983 1.00 0.00 O ATOM 1005 CB PRO A 73 5.204 -12.401 -5.682 1.00 0.00 C ATOM 1006 CG PRO A 73 5.575 -13.352 -4.602 1.00 0.00 C ATOM 1007 CD PRO A 73 4.947 -12.819 -3.342 1.00 0.00 C ATOM 0 HA PRO A 73 6.122 -10.498 -5.025 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.234 -12.649 -6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 73 5.930 -12.420 -6.495 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.211 -14.355 -4.824 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.658 -13.421 -4.499 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.989 -13.298 -3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.582 -12.994 -2.473 1.00 0.00 H new ATOM 1015 N GLU A 74 2.981 -10.581 -5.936 1.00 0.00 N ATOM 1016 CA GLU A 74 1.957 -9.782 -6.595 1.00 0.00 C ATOM 1017 C GLU A 74 1.504 -8.653 -5.684 1.00 0.00 C ATOM 1018 O GLU A 74 1.300 -7.518 -6.119 1.00 0.00 O ATOM 1019 CB GLU A 74 0.757 -10.658 -6.950 1.00 0.00 C ATOM 1020 CG GLU A 74 -0.417 -9.885 -7.524 1.00 0.00 C ATOM 1021 CD GLU A 74 -1.683 -10.707 -7.549 1.00 0.00 C ATOM 1022 OE1 GLU A 74 -1.773 -11.639 -8.374 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -2.594 -10.431 -6.741 1.00 0.00 O ATOM 0 H GLU A 74 2.683 -11.524 -5.686 1.00 0.00 H new ATOM 0 HA GLU A 74 2.380 -9.360 -7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.071 -11.413 -7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.429 -11.188 -6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.582 -8.985 -6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.176 -9.561 -8.536 1.00 0.00 H new ATOM 1030 N SER A 75 1.380 -8.984 -4.410 1.00 0.00 N ATOM 1031 CA SER A 75 0.820 -8.086 -3.422 1.00 0.00 C ATOM 1032 C SER A 75 1.618 -6.794 -3.319 1.00 0.00 C ATOM 1033 O SER A 75 1.049 -5.701 -3.313 1.00 0.00 O ATOM 1034 CB SER A 75 0.798 -8.790 -2.072 1.00 0.00 C ATOM 1035 OG SER A 75 0.265 -10.095 -2.194 1.00 0.00 O ATOM 0 H SER A 75 1.667 -9.887 -4.033 1.00 0.00 H new ATOM 0 HA SER A 75 -0.192 -7.822 -3.729 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.809 -8.842 -1.667 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.201 -8.213 -1.366 1.00 0.00 H new ATOM 0 HG SER A 75 -0.700 -10.071 -2.025 1.00 0.00 H new ATOM 1041 N VAL A 76 2.934 -6.918 -3.258 1.00 0.00 N ATOM 1042 CA VAL A 76 3.783 -5.769 -3.028 1.00 0.00 C ATOM 1043 C VAL A 76 3.862 -4.892 -4.276 1.00 0.00 C ATOM 1044 O VAL A 76 3.953 -3.677 -4.173 1.00 0.00 O ATOM 1045 CB VAL A 76 5.191 -6.187 -2.542 1.00 0.00 C ATOM 1046 CG1 VAL A 76 6.135 -6.498 -3.695 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.761 -5.124 -1.619 1.00 0.00 C ATOM 0 H VAL A 76 3.433 -7.801 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 76 3.331 -5.179 -2.231 1.00 0.00 H new ATOM 0 HB VAL A 76 5.088 -7.115 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.109 -6.786 -3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.728 -7.317 -4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.245 -5.614 -4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.752 -5.428 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.834 -4.178 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.106 -5.002 -0.756 1.00 0.00 H new ATOM 1057 N GLN A 77 3.778 -5.501 -5.452 1.00 0.00 N ATOM 1058 CA GLN A 77 3.766 -4.740 -6.694 1.00 0.00 C ATOM 1059 C GLN A 77 2.489 -3.916 -6.789 1.00 0.00 C ATOM 1060 O GLN A 77 2.516 -2.742 -7.162 1.00 0.00 O ATOM 1061 CB GLN A 77 3.875 -5.671 -7.902 1.00 0.00 C ATOM 1062 CG GLN A 77 5.202 -6.398 -7.989 1.00 0.00 C ATOM 1063 CD GLN A 77 5.268 -7.339 -9.174 1.00 0.00 C ATOM 1064 OE1 GLN A 77 4.898 -8.507 -9.076 1.00 0.00 O ATOM 1065 NE2 GLN A 77 5.743 -6.841 -10.306 1.00 0.00 N ATOM 0 H GLN A 77 3.718 -6.512 -5.572 1.00 0.00 H new ATOM 0 HA GLN A 77 4.627 -4.071 -6.694 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.070 -6.405 -7.859 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.728 -5.090 -8.813 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.009 -5.669 -8.062 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.365 -6.962 -7.071 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.041 -5.866 -10.349 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.811 -7.432 -11.134 1.00 0.00 H new ATOM 1074 N LYS A 78 1.382 -4.539 -6.412 1.00 0.00 N ATOM 1075 CA LYS A 78 0.070 -3.912 -6.490 1.00 0.00 C ATOM 1076 C LYS A 78 -0.060 -2.797 -5.447 1.00 0.00 C ATOM 1077 O LYS A 78 -0.577 -1.711 -5.732 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.009 -4.988 -6.290 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.362 -4.653 -6.900 1.00 0.00 C ATOM 1080 CD LYS A 78 -3.157 -3.689 -6.040 1.00 0.00 C ATOM 1081 CE LYS A 78 -4.460 -3.297 -6.717 1.00 0.00 C ATOM 1082 NZ LYS A 78 -5.330 -4.475 -6.992 1.00 0.00 N ATOM 0 H LYS A 78 1.367 -5.490 -6.044 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.059 -3.455 -7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.653 -5.924 -6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.140 -5.158 -5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.215 -4.218 -7.889 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.934 -5.571 -7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.369 -4.149 -5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.563 -2.797 -5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.998 -2.591 -6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.241 -2.784 -7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.259 -4.150 -7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.888 -5.071 -7.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.452 -5.028 -6.120 1.00 0.00 H new ATOM 1096 N ALA A 79 0.426 -3.063 -4.243 1.00 0.00 N ATOM 1097 CA ALA A 79 0.379 -2.086 -3.162 1.00 0.00 C ATOM 1098 C ALA A 79 1.225 -0.860 -3.483 1.00 0.00 C ATOM 1099 O ALA A 79 0.829 0.275 -3.213 1.00 0.00 O ATOM 1100 CB ALA A 79 0.852 -2.721 -1.867 1.00 0.00 C ATOM 0 H ALA A 79 0.859 -3.951 -3.988 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.655 -1.760 -3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.814 -1.984 -1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.206 -3.563 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.877 -3.073 -1.987 1.00 0.00 H new ATOM 1106 N LYS A 80 2.376 -1.094 -4.093 1.00 0.00 N ATOM 1107 CA LYS A 80 3.318 -0.024 -4.388 1.00 0.00 C ATOM 1108 C LYS A 80 2.880 0.687 -5.648 1.00 0.00 C ATOM 1109 O LYS A 80 3.260 1.821 -5.903 1.00 0.00 O ATOM 1110 CB LYS A 80 4.747 -0.555 -4.530 1.00 0.00 C ATOM 1111 CG LYS A 80 5.250 -1.273 -3.289 1.00 0.00 C ATOM 1112 CD LYS A 80 6.753 -1.529 -3.315 1.00 0.00 C ATOM 1113 CE LYS A 80 7.206 -2.245 -4.577 1.00 0.00 C ATOM 1114 NZ LYS A 80 7.800 -1.297 -5.563 1.00 0.00 N ATOM 0 H LYS A 80 2.682 -2.019 -4.395 1.00 0.00 H new ATOM 0 HA LYS A 80 3.322 0.679 -3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.790 -1.238 -5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.415 0.276 -4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.004 -0.680 -2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.727 -2.224 -3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.280 -0.579 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.031 -2.124 -2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.939 -3.009 -4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.357 -2.757 -5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.113 -1.822 -6.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.087 -0.593 -5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.615 -0.814 -5.133 1.00 0.00 H new ATOM 1128 N MET A 81 2.080 -0.010 -6.433 1.00 0.00 N ATOM 1129 CA MET A 81 1.460 0.550 -7.609 1.00 0.00 C ATOM 1130 C MET A 81 0.565 1.735 -7.231 1.00 0.00 C ATOM 1131 O MET A 81 0.648 2.803 -7.844 1.00 0.00 O ATOM 1132 CB MET A 81 0.665 -0.552 -8.302 1.00 0.00 C ATOM 1133 CG MET A 81 -0.312 -0.049 -9.328 1.00 0.00 C ATOM 1134 SD MET A 81 0.491 0.776 -10.718 1.00 0.00 S ATOM 1135 CE MET A 81 -0.915 1.102 -11.781 1.00 0.00 C ATOM 0 H MET A 81 1.843 -0.988 -6.267 1.00 0.00 H new ATOM 0 HA MET A 81 2.220 0.929 -8.292 1.00 0.00 H new ATOM 0 HB2 MET A 81 1.360 -1.239 -8.784 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.123 -1.123 -7.549 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.903 -0.886 -9.701 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.006 0.644 -8.852 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.578 1.610 -12.684 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.393 0.160 -12.051 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.630 1.734 -11.255 1.00 0.00 H new ATOM 1145 N MET A 82 -0.273 1.551 -6.208 1.00 0.00 N ATOM 1146 CA MET A 82 -1.113 2.647 -5.711 1.00 0.00 C ATOM 1147 C MET A 82 -0.263 3.728 -5.046 1.00 0.00 C ATOM 1148 O MET A 82 -0.545 4.919 -5.170 1.00 0.00 O ATOM 1149 CB MET A 82 -2.167 2.150 -4.715 1.00 0.00 C ATOM 1150 CG MET A 82 -3.335 1.417 -5.352 1.00 0.00 C ATOM 1151 SD MET A 82 -4.174 2.397 -6.615 1.00 0.00 S ATOM 1152 CE MET A 82 -5.403 1.227 -7.188 1.00 0.00 C ATOM 0 H MET A 82 -0.389 0.667 -5.712 1.00 0.00 H new ATOM 0 HA MET A 82 -1.625 3.068 -6.576 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.686 1.487 -3.996 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.551 3.003 -4.155 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.976 0.490 -5.798 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.051 1.142 -4.577 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.004 1.686 -7.973 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.906 0.341 -7.582 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.049 0.941 -6.357 1.00 0.00 H new ATOM 1162 N LEU A 83 0.773 3.299 -4.339 1.00 0.00 N ATOM 1163 CA LEU A 83 1.699 4.222 -3.686 1.00 0.00 C ATOM 1164 C LEU A 83 2.348 5.133 -4.715 1.00 0.00 C ATOM 1165 O LEU A 83 2.356 6.352 -4.560 1.00 0.00 O ATOM 1166 CB LEU A 83 2.779 3.454 -2.909 1.00 0.00 C ATOM 1167 CG LEU A 83 2.586 3.387 -1.389 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.603 4.786 -0.788 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.290 2.675 -1.036 1.00 0.00 C ATOM 0 H LEU A 83 0.996 2.313 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 83 1.132 4.829 -2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.824 2.436 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.745 3.916 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 83 3.413 2.816 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.465 4.720 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.559 5.263 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.797 5.378 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.177 2.641 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.449 3.214 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.314 1.659 -1.430 1.00 0.00 H new ATOM 1181 N ASP A 84 2.872 4.527 -5.772 1.00 0.00 N ATOM 1182 CA ASP A 84 3.479 5.260 -6.877 1.00 0.00 C ATOM 1183 C ASP A 84 2.524 6.308 -7.415 1.00 0.00 C ATOM 1184 O ASP A 84 2.913 7.442 -7.681 1.00 0.00 O ATOM 1185 CB ASP A 84 3.861 4.294 -8.001 1.00 0.00 C ATOM 1186 CG ASP A 84 4.353 5.001 -9.249 1.00 0.00 C ATOM 1187 OD1 ASP A 84 5.568 5.280 -9.337 1.00 0.00 O ATOM 1188 OD2 ASP A 84 3.531 5.260 -10.155 1.00 0.00 O ATOM 0 H ASP A 84 2.889 3.514 -5.888 1.00 0.00 H new ATOM 0 HA ASP A 84 4.374 5.758 -6.504 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.638 3.618 -7.643 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.996 3.681 -8.255 1.00 0.00 H new ATOM 1193 N ASP A 85 1.267 5.917 -7.545 1.00 0.00 N ATOM 1194 CA ASP A 85 0.241 6.778 -8.110 1.00 0.00 C ATOM 1195 C ASP A 85 0.075 8.063 -7.301 1.00 0.00 C ATOM 1196 O ASP A 85 0.207 9.171 -7.835 1.00 0.00 O ATOM 1197 CB ASP A 85 -1.086 6.025 -8.169 1.00 0.00 C ATOM 1198 CG ASP A 85 -2.177 6.837 -8.836 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -2.836 7.647 -8.153 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.368 6.672 -10.061 1.00 0.00 O ATOM 0 H ASP A 85 0.930 4.997 -7.263 1.00 0.00 H new ATOM 0 HA ASP A 85 0.552 7.057 -9.117 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.947 5.091 -8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.398 5.762 -7.158 1.00 0.00 H new ATOM 1205 N ILE A 86 -0.202 7.915 -6.014 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.440 9.063 -5.153 1.00 0.00 C ATOM 1207 C ILE A 86 0.854 9.832 -4.894 1.00 0.00 C ATOM 1208 O ILE A 86 0.876 11.063 -4.937 1.00 0.00 O ATOM 1209 CB ILE A 86 -1.113 8.657 -3.814 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.603 8.365 -4.028 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -0.943 9.741 -2.761 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.885 7.087 -4.786 1.00 0.00 C ATOM 0 H ILE A 86 -0.267 7.012 -5.544 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.132 9.719 -5.681 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.621 7.752 -3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.094 8.313 -3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.051 9.200 -4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.425 9.427 -1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.119 9.908 -2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.401 10.665 -3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.962 6.957 -4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.426 7.141 -5.773 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.470 6.240 -4.239 1.00 0.00 H new ATOM 1224 N VAL A 87 1.944 9.123 -4.673 1.00 0.00 N ATOM 1225 CA VAL A 87 3.212 9.783 -4.417 1.00 0.00 C ATOM 1226 C VAL A 87 3.658 10.596 -5.632 1.00 0.00 C ATOM 1227 O VAL A 87 4.384 11.571 -5.499 1.00 0.00 O ATOM 1228 CB VAL A 87 4.303 8.775 -3.990 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.677 9.428 -3.934 1.00 0.00 C ATOM 1230 CG2 VAL A 87 3.958 8.177 -2.632 1.00 0.00 C ATOM 0 H VAL A 87 1.980 8.104 -4.665 1.00 0.00 H new ATOM 0 HA VAL A 87 3.063 10.471 -3.585 1.00 0.00 H new ATOM 0 HB VAL A 87 4.337 7.984 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.419 8.689 -3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.935 9.818 -4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.662 10.245 -3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.732 7.468 -2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.895 8.973 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.999 7.662 -2.694 1.00 0.00 H new ATOM 1240 N SER A 88 3.177 10.227 -6.806 1.00 0.00 N ATOM 1241 CA SER A 88 3.486 10.974 -8.014 1.00 0.00 C ATOM 1242 C SER A 88 2.534 12.160 -8.212 1.00 0.00 C ATOM 1243 O SER A 88 2.898 13.147 -8.852 1.00 0.00 O ATOM 1244 CB SER A 88 3.433 10.051 -9.219 1.00 0.00 C ATOM 1245 OG SER A 88 4.445 9.061 -9.140 1.00 0.00 O ATOM 0 H SER A 88 2.573 9.418 -6.949 1.00 0.00 H new ATOM 0 HA SER A 88 4.493 11.378 -7.908 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.455 9.574 -9.274 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.557 10.632 -10.133 1.00 0.00 H new ATOM 0 HG SER A 88 4.074 8.245 -8.743 1.00 0.00 H new ATOM 1251 N ARG A 89 1.318 12.079 -7.666 1.00 0.00 N ATOM 1252 CA ARG A 89 0.377 13.194 -7.784 1.00 0.00 C ATOM 1253 C ARG A 89 0.754 14.307 -6.806 1.00 0.00 C ATOM 1254 O ARG A 89 0.243 15.423 -6.888 1.00 0.00 O ATOM 1255 CB ARG A 89 -1.083 12.748 -7.567 1.00 0.00 C ATOM 1256 CG ARG A 89 -1.413 12.296 -6.156 1.00 0.00 C ATOM 1257 CD ARG A 89 -2.879 11.925 -6.015 1.00 0.00 C ATOM 1258 NE ARG A 89 -3.239 10.764 -6.829 1.00 0.00 N ATOM 1259 CZ ARG A 89 -4.418 10.617 -7.429 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -5.336 11.571 -7.335 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -4.679 9.517 -8.120 1.00 0.00 N ATOM 0 H ARG A 89 0.968 11.272 -7.149 1.00 0.00 H new ATOM 0 HA ARG A 89 0.445 13.576 -8.803 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.743 13.575 -7.831 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.304 11.932 -8.255 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.793 11.438 -5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.169 13.092 -5.452 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.099 11.714 -4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.496 12.775 -6.306 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.546 10.024 -6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.138 12.418 -6.802 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.239 11.457 -7.795 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.976 8.782 -8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.583 9.406 -8.579 1.00 0.00 H new ATOM 1275 N GLY A 90 1.644 13.986 -5.874 1.00 0.00 N ATOM 1276 CA GLY A 90 2.172 14.995 -4.973 1.00 0.00 C ATOM 1277 C GLY A 90 3.636 15.311 -5.239 1.00 0.00 C ATOM 1278 O GLY A 90 4.051 16.467 -5.179 1.00 0.00 O ATOM 0 H GLY A 90 2.010 13.045 -5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.584 15.907 -5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.060 14.652 -3.944 1.00 0.00 H new ATOM 1282 N ARG A 91 4.418 14.283 -5.531 1.00 0.00 N ATOM 1283 CA ARG A 91 5.847 14.438 -5.772 1.00 0.00 C ATOM 1284 C ARG A 91 6.201 14.067 -7.208 1.00 0.00 C ATOM 1285 O ARG A 91 7.150 13.324 -7.454 1.00 0.00 O ATOM 1286 CB ARG A 91 6.651 13.576 -4.789 1.00 0.00 C ATOM 1287 CG ARG A 91 6.664 14.113 -3.366 1.00 0.00 C ATOM 1288 CD ARG A 91 7.741 15.173 -3.165 1.00 0.00 C ATOM 1289 NE ARG A 91 7.657 16.254 -4.147 1.00 0.00 N ATOM 1290 CZ ARG A 91 7.818 17.542 -3.856 1.00 0.00 C ATOM 1291 NH1 ARG A 91 8.052 17.920 -2.604 1.00 0.00 N ATOM 1292 NH2 ARG A 91 7.758 18.454 -4.822 1.00 0.00 N ATOM 0 H ARG A 91 4.084 13.322 -5.608 1.00 0.00 H new ATOM 0 HA ARG A 91 6.105 15.485 -5.616 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.237 12.568 -4.783 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.678 13.497 -5.146 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.688 14.538 -3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.830 13.291 -2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.652 15.591 -2.162 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.723 14.704 -3.229 1.00 0.00 H new ATOM 0 HE ARG A 91 7.463 16.004 -5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.109 17.222 -1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.175 18.908 -2.384 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.589 18.166 -5.786 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.881 19.442 -4.599 1.00 0.00 H new