USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 801 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 78 LYS NZ :NH3+ -174:sc= 0.0526 (180deg=-0.0102) USER MOD Set 1.2: A 86 THR OG1 : rot -79:sc= -2.25 USER MOD Set 2.1: A 19 ASN :FLIP amide:sc= -0.204 F(o=-2.3,f=-0.2) USER MOD Set 2.2: A 57 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Set 3.1: A 31 LYS NZ :NH3+ 159:sc= 0.26 (180deg=0) USER MOD Set 3.2: A 33 ASN :FLIP amide:sc= -2.15 F(o=-4.4,f=-2.9) USER MOD Set 3.3: A 36 LYS NZ :NH3+ 148:sc= -1 (180deg=0) USER MOD Set 4.1: A 35 SER OG : rot 140:sc= -0.59 USER MOD Set 4.2: A 38 ASN : amide:sc= -5.08! C(o=-5.7!,f=-9.1!) USER MOD Single : A 8 THR OG1 : rot 180:sc=-0.00356 USER MOD Single : A 13 THR OG1 : rot 180:sc= -2.47! USER MOD Single : A 21 SER OG : rot -163:sc= -4 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 24:sc= 0.629 USER MOD Single : A 39 HIS : no HD1:sc= -2.26 K(o=-2.3,f=-3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.705 K(o=0.71,f=-0.79) USER MOD Single : A 56 SER OG : rot -160:sc= -0.788 USER MOD Single : A 64 ASN : amide:sc= -1.01! C(o=-1!,f=-5.3!) USER MOD Single : A 66 GLN :FLIP amide:sc= -2.24! C(o=-4!,f=-2.2!) USER MOD Single : A 71 ASN :FLIP amide:sc= -5.27! C(o=-6!,f=-5.3!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0968 USER MOD Single : A 80 ASN :FLIP amide:sc= -2.05 F(o=-3.6,f=-2.1) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 MET CE :methyl -118:sc= -6.35! (180deg=-9.6!) USER MOD Single : A 90 SER OG : rot 71:sc= 0.772 USER MOD Single : A 91 MET CE :methyl -144:sc= -9.27! (180deg=-11.5!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -11! C(o=-11!,f=-22!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -159:sc= -0.561 (180deg=-2.21) USER MOD Single : A 102 GLN : amide:sc= -0.593 X(o=-0.59,f=-0.17) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -3.664 -11.261 -14.768 1.00 0.00 N ATOM 2 CA GLY A 7 -5.087 -11.538 -14.801 1.00 0.00 C ATOM 3 C GLY A 7 -5.815 -10.984 -13.592 1.00 0.00 C ATOM 4 O GLY A 7 -7.033 -10.814 -13.619 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.516 -11.110 -15.707 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.243 -12.616 -14.853 1.00 0.00 H new ATOM 8 N THR A 8 -5.070 -10.704 -12.525 1.00 0.00 N ATOM 9 CA THR A 8 -5.661 -10.169 -11.304 1.00 0.00 C ATOM 10 C THR A 8 -4.637 -9.386 -10.486 1.00 0.00 C ATOM 11 O THR A 8 -4.656 -9.425 -9.257 1.00 0.00 O ATOM 12 CB THR A 8 -6.246 -11.300 -10.458 1.00 0.00 C ATOM 13 OG1 THR A 8 -5.214 -12.072 -9.872 1.00 0.00 O ATOM 14 CG2 THR A 8 -7.136 -12.239 -11.241 1.00 0.00 C ATOM 0 H THR A 8 -4.060 -10.839 -12.482 1.00 0.00 H new ATOM 0 HA THR A 8 -6.459 -9.486 -11.594 1.00 0.00 H new ATOM 0 HB THR A 8 -6.851 -10.807 -9.698 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.608 -12.790 -9.333 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.516 -13.017 -10.579 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.972 -11.681 -11.663 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.562 -12.697 -12.047 1.00 0.00 H new ATOM 22 N ARG A 9 -3.748 -8.675 -11.172 1.00 0.00 N ATOM 23 CA ARG A 9 -2.724 -7.884 -10.497 1.00 0.00 C ATOM 24 C ARG A 9 -2.001 -6.964 -11.479 1.00 0.00 C ATOM 25 O ARG A 9 -1.425 -7.424 -12.465 1.00 0.00 O ATOM 26 CB ARG A 9 -1.716 -8.804 -9.803 1.00 0.00 C ATOM 27 CG ARG A 9 -1.996 -9.001 -8.322 1.00 0.00 C ATOM 28 CD ARG A 9 -0.732 -9.366 -7.560 1.00 0.00 C ATOM 29 NE ARG A 9 -1.021 -10.176 -6.379 1.00 0.00 N ATOM 30 CZ ARG A 9 -0.103 -10.537 -5.484 1.00 0.00 C ATOM 31 NH1 ARG A 9 1.161 -10.162 -5.632 1.00 0.00 N ATOM 32 NH2 ARG A 9 -0.450 -11.276 -4.439 1.00 0.00 N ATOM 0 H ARG A 9 -3.715 -8.630 -12.190 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.217 -7.264 -9.749 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.721 -9.775 -10.298 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.715 -8.390 -9.924 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.422 -8.088 -7.906 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.740 -9.787 -8.193 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.057 -9.912 -8.218 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.215 -8.455 -7.258 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.982 -10.483 -6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.434 -9.594 -6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.860 -10.441 -4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.420 -11.568 -4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.253 -11.552 -3.754 1.00 0.00 H new ATOM 46 N GLU A 10 -2.033 -5.665 -11.197 1.00 0.00 N ATOM 47 CA GLU A 10 -1.379 -4.681 -12.053 1.00 0.00 C ATOM 48 C GLU A 10 -0.500 -3.746 -11.226 1.00 0.00 C ATOM 49 O GLU A 10 -0.500 -3.807 -9.998 1.00 0.00 O ATOM 50 CB GLU A 10 -2.422 -3.872 -12.827 1.00 0.00 C ATOM 51 CG GLU A 10 -3.518 -3.293 -11.949 1.00 0.00 C ATOM 52 CD GLU A 10 -4.436 -2.354 -12.707 1.00 0.00 C ATOM 53 OE1 GLU A 10 -3.927 -1.389 -13.316 1.00 0.00 O ATOM 54 OE2 GLU A 10 -5.663 -2.585 -12.693 1.00 0.00 O ATOM 0 H GLU A 10 -2.504 -5.270 -10.383 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.747 -5.214 -12.763 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.922 -3.059 -13.353 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.875 -4.511 -13.585 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.106 -4.106 -11.524 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.065 -2.758 -11.114 1.00 0.00 H new ATOM 61 N PHE A 11 0.244 -2.881 -11.909 1.00 0.00 N ATOM 62 CA PHE A 11 1.126 -1.934 -11.235 1.00 0.00 C ATOM 63 C PHE A 11 0.654 -0.500 -11.456 1.00 0.00 C ATOM 64 O PHE A 11 0.277 -0.127 -12.568 1.00 0.00 O ATOM 65 CB PHE A 11 2.561 -2.093 -11.741 1.00 0.00 C ATOM 66 CG PHE A 11 3.350 -3.135 -11.000 1.00 0.00 C ATOM 67 CD1 PHE A 11 2.922 -4.451 -10.965 1.00 0.00 C ATOM 68 CD2 PHE A 11 4.521 -2.796 -10.340 1.00 0.00 C ATOM 69 CE1 PHE A 11 3.646 -5.412 -10.284 1.00 0.00 C ATOM 70 CE2 PHE A 11 5.247 -3.752 -9.658 1.00 0.00 C ATOM 71 CZ PHE A 11 4.811 -5.061 -9.630 1.00 0.00 C ATOM 0 H PHE A 11 0.254 -2.816 -12.927 1.00 0.00 H new ATOM 0 HA PHE A 11 1.098 -2.147 -10.166 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.537 -2.352 -12.799 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.074 -1.135 -11.659 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.012 -4.730 -11.475 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.869 -1.774 -10.360 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.301 -6.435 -10.263 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.157 -3.475 -9.146 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.379 -5.809 -9.098 1.00 0.00 H new ATOM 81 N LEU A 12 0.676 0.302 -10.396 1.00 0.00 N ATOM 82 CA LEU A 12 0.249 1.693 -10.484 1.00 0.00 C ATOM 83 C LEU A 12 1.290 2.631 -9.883 1.00 0.00 C ATOM 84 O LEU A 12 1.972 2.287 -8.918 1.00 0.00 O ATOM 85 CB LEU A 12 -1.091 1.884 -9.772 1.00 0.00 C ATOM 86 CG LEU A 12 -2.153 0.838 -10.106 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.299 0.904 -9.108 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.666 1.036 -11.524 1.00 0.00 C ATOM 0 H LEU A 12 0.985 0.013 -9.468 1.00 0.00 H new ATOM 0 HA LEU A 12 0.135 1.939 -11.540 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.918 1.874 -8.696 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.482 2.870 -10.023 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.698 -0.150 -10.040 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.046 0.152 -9.362 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.919 0.714 -8.104 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.755 1.894 -9.142 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.422 0.283 -11.746 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.105 2.029 -11.617 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.839 0.938 -12.227 1.00 0.00 H new ATOM 100 N THR A 13 1.401 3.822 -10.464 1.00 0.00 N ATOM 101 CA THR A 13 2.352 4.823 -9.993 1.00 0.00 C ATOM 102 C THR A 13 1.654 6.162 -9.779 1.00 0.00 C ATOM 103 O THR A 13 0.997 6.677 -10.682 1.00 0.00 O ATOM 104 CB THR A 13 3.491 4.989 -10.998 1.00 0.00 C ATOM 105 OG1 THR A 13 4.036 3.732 -11.354 1.00 0.00 O ATOM 106 CG2 THR A 13 4.621 5.853 -10.479 1.00 0.00 C ATOM 0 H THR A 13 0.842 4.118 -11.264 1.00 0.00 H new ATOM 0 HA THR A 13 2.764 4.483 -9.043 1.00 0.00 H new ATOM 0 HB THR A 13 3.045 5.481 -11.863 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.762 3.861 -11.999 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.398 5.932 -11.240 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.241 6.847 -10.245 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.039 5.403 -9.579 1.00 0.00 H new ATOM 114 N PHE A 14 1.796 6.723 -8.581 1.00 0.00 N ATOM 115 CA PHE A 14 1.166 8.001 -8.268 1.00 0.00 C ATOM 116 C PHE A 14 2.121 8.939 -7.537 1.00 0.00 C ATOM 117 O PHE A 14 2.991 8.499 -6.785 1.00 0.00 O ATOM 118 CB PHE A 14 -0.087 7.778 -7.420 1.00 0.00 C ATOM 119 CG PHE A 14 -1.001 6.715 -7.961 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.358 6.705 -9.299 1.00 0.00 C ATOM 121 CD2 PHE A 14 -1.502 5.727 -7.128 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.199 5.728 -9.798 1.00 0.00 C ATOM 123 CE2 PHE A 14 -2.343 4.748 -7.622 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.693 4.748 -8.959 1.00 0.00 C ATOM 0 H PHE A 14 2.337 6.317 -7.818 1.00 0.00 H new ATOM 0 HA PHE A 14 0.891 8.470 -9.213 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.213 7.506 -6.408 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.638 8.716 -7.348 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.975 7.469 -9.960 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.232 5.722 -6.082 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.470 5.731 -10.843 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.727 3.983 -6.963 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.351 3.984 -9.347 1.00 0.00 H new ATOM 134 N GLU A 15 1.938 10.239 -7.758 1.00 0.00 N ATOM 135 CA GLU A 15 2.762 11.258 -7.118 1.00 0.00 C ATOM 136 C GLU A 15 1.954 11.990 -6.054 1.00 0.00 C ATOM 137 O GLU A 15 0.970 12.662 -6.366 1.00 0.00 O ATOM 138 CB GLU A 15 3.286 12.254 -8.158 1.00 0.00 C ATOM 139 CG GLU A 15 3.683 11.609 -9.476 1.00 0.00 C ATOM 140 CD GLU A 15 2.554 11.609 -10.489 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.609 10.807 -10.325 1.00 0.00 O ATOM 142 OE2 GLU A 15 2.612 12.411 -11.445 1.00 0.00 O ATOM 0 H GLU A 15 1.221 10.612 -8.380 1.00 0.00 H new ATOM 0 HA GLU A 15 3.614 10.770 -6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.519 13.005 -8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.149 12.777 -7.745 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.540 12.139 -9.892 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.002 10.583 -9.293 1.00 0.00 H new ATOM 149 N VAL A 16 2.358 11.843 -4.797 1.00 0.00 N ATOM 150 CA VAL A 16 1.650 12.477 -3.691 1.00 0.00 C ATOM 151 C VAL A 16 2.418 13.679 -3.139 1.00 0.00 C ATOM 152 O VAL A 16 3.396 13.516 -2.410 1.00 0.00 O ATOM 153 CB VAL A 16 1.383 11.482 -2.539 1.00 0.00 C ATOM 154 CG1 VAL A 16 0.009 11.728 -1.936 1.00 0.00 C ATOM 155 CG2 VAL A 16 1.507 10.042 -3.020 1.00 0.00 C ATOM 0 H VAL A 16 3.170 11.292 -4.519 1.00 0.00 H new ATOM 0 HA VAL A 16 0.698 12.819 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 16 2.136 11.644 -1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.165 11.020 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.040 12.745 -1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.754 11.596 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.314 9.363 -2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.782 9.860 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.514 9.871 -3.402 1.00 0.00 H new ATOM 165 N PRO A 17 1.978 14.909 -3.475 1.00 0.00 N ATOM 166 CA PRO A 17 2.622 16.138 -3.006 1.00 0.00 C ATOM 167 C PRO A 17 2.286 16.442 -1.551 1.00 0.00 C ATOM 168 O PRO A 17 1.259 17.055 -1.258 1.00 0.00 O ATOM 169 CB PRO A 17 2.049 17.232 -3.924 1.00 0.00 C ATOM 170 CG PRO A 17 1.208 16.523 -4.939 1.00 0.00 C ATOM 171 CD PRO A 17 0.826 15.206 -4.330 1.00 0.00 C ATOM 0 HA PRO A 17 3.709 16.063 -3.046 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.454 17.946 -3.355 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.849 17.795 -4.405 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.322 17.108 -5.186 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.761 16.376 -5.867 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.098 15.276 -3.756 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.673 14.437 -5.087 1.00 0.00 H new ATOM 179 N LEU A 18 3.162 16.022 -0.640 1.00 0.00 N ATOM 180 CA LEU A 18 2.955 16.257 0.787 1.00 0.00 C ATOM 181 C LEU A 18 3.512 17.612 1.206 1.00 0.00 C ATOM 182 O LEU A 18 3.840 17.831 2.373 1.00 0.00 O ATOM 183 CB LEU A 18 3.614 15.151 1.603 1.00 0.00 C ATOM 184 CG LEU A 18 5.131 15.219 1.626 1.00 0.00 C ATOM 185 CD1 LEU A 18 5.619 15.833 2.930 1.00 0.00 C ATOM 186 CD2 LEU A 18 5.732 13.838 1.422 1.00 0.00 C ATOM 0 H LEU A 18 4.020 15.518 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 18 1.882 16.254 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.243 15.199 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.310 14.185 1.199 1.00 0.00 H new ATOM 0 HG LEU A 18 5.459 15.857 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.708 15.873 2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.219 16.842 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.280 15.224 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.820 13.908 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.397 13.174 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.411 13.440 0.459 1.00 0.00 H new ATOM 198 N ASN A 19 3.606 18.515 0.243 1.00 0.00 N ATOM 199 CA ASN A 19 4.111 19.861 0.474 1.00 0.00 C ATOM 200 C ASN A 19 3.555 20.464 1.765 1.00 0.00 C ATOM 201 O ASN A 19 4.195 21.311 2.389 1.00 0.00 O ATOM 202 CB ASN A 19 3.750 20.746 -0.722 1.00 0.00 C ATOM 203 CG ASN A 19 2.290 21.180 -0.722 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.376 20.229 -0.509 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.983 22.357 -0.910 1.00 0.00 N flip ATOM 0 H ASN A 19 3.334 18.336 -0.724 1.00 0.00 H new ATOM 0 HA ASN A 19 5.194 19.806 0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.386 21.631 -0.717 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.963 20.205 -1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.710 23.055 -1.069 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.002 22.635 -0.907 1.00 0.00 H new ATOM 212 N ASP A 20 2.361 20.027 2.156 1.00 0.00 N ATOM 213 CA ASP A 20 1.728 20.531 3.369 1.00 0.00 C ATOM 214 C ASP A 20 0.996 19.421 4.119 1.00 0.00 C ATOM 215 O ASP A 20 0.093 19.687 4.911 1.00 0.00 O ATOM 216 CB ASP A 20 0.750 21.657 3.027 1.00 0.00 C ATOM 217 CG ASP A 20 0.559 22.626 4.178 1.00 0.00 C ATOM 218 OD1 ASP A 20 -0.005 22.214 5.213 1.00 0.00 O ATOM 219 OD2 ASP A 20 0.974 23.797 4.044 1.00 0.00 O ATOM 0 H ASP A 20 1.815 19.328 1.652 1.00 0.00 H new ATOM 0 HA ASP A 20 2.514 20.918 4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.116 22.200 2.155 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.214 21.227 2.754 1.00 0.00 H new ATOM 224 N SER A 21 1.394 18.175 3.873 1.00 0.00 N ATOM 225 CA SER A 21 0.773 17.032 4.535 1.00 0.00 C ATOM 226 C SER A 21 1.789 16.255 5.372 1.00 0.00 C ATOM 227 O SER A 21 1.428 15.323 6.089 1.00 0.00 O ATOM 228 CB SER A 21 0.122 16.108 3.507 1.00 0.00 C ATOM 229 OG SER A 21 1.092 15.325 2.834 1.00 0.00 O ATOM 0 H SER A 21 2.141 17.932 3.222 1.00 0.00 H new ATOM 0 HA SER A 21 0.004 17.414 5.206 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.595 15.455 4.004 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.436 16.701 2.783 1.00 0.00 H new ATOM 0 HG SER A 21 0.701 14.951 2.017 1.00 0.00 H new ATOM 235 N GLY A 22 3.060 16.643 5.278 1.00 0.00 N ATOM 236 CA GLY A 22 4.098 15.969 6.036 1.00 0.00 C ATOM 237 C GLY A 22 3.879 16.066 7.534 1.00 0.00 C ATOM 238 O GLY A 22 4.260 15.168 8.283 1.00 0.00 O ATOM 0 H GLY A 22 3.387 17.411 4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.133 14.919 5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.066 16.402 5.785 1.00 0.00 H new ATOM 242 N SER A 23 3.262 17.162 7.969 1.00 0.00 N ATOM 243 CA SER A 23 2.990 17.373 9.389 1.00 0.00 C ATOM 244 C SER A 23 2.237 16.186 9.980 1.00 0.00 C ATOM 245 O SER A 23 2.398 15.855 11.154 1.00 0.00 O ATOM 246 CB SER A 23 2.182 18.656 9.588 1.00 0.00 C ATOM 247 OG SER A 23 0.803 18.435 9.341 1.00 0.00 O ATOM 0 H SER A 23 2.942 17.916 7.361 1.00 0.00 H new ATOM 0 HA SER A 23 3.944 17.469 9.907 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.318 19.021 10.606 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.555 19.432 8.919 1.00 0.00 H new ATOM 0 HG SER A 23 0.308 19.270 9.477 1.00 0.00 H new ATOM 253 N ALA A 24 1.418 15.545 9.151 1.00 0.00 N ATOM 254 CA ALA A 24 0.641 14.389 9.581 1.00 0.00 C ATOM 255 C ALA A 24 1.276 13.090 9.091 1.00 0.00 C ATOM 256 O ALA A 24 1.022 12.018 9.639 1.00 0.00 O ATOM 257 CB ALA A 24 -0.789 14.501 9.080 1.00 0.00 C ATOM 0 H ALA A 24 1.276 15.808 8.176 1.00 0.00 H new ATOM 0 HA ALA A 24 0.632 14.371 10.671 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.359 13.631 9.408 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.245 15.406 9.481 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.790 14.546 7.991 1.00 0.00 H new ATOM 263 N GLY A 25 2.100 13.195 8.052 1.00 0.00 N ATOM 264 CA GLY A 25 2.756 12.024 7.501 1.00 0.00 C ATOM 265 C GLY A 25 2.159 11.603 6.176 1.00 0.00 C ATOM 266 O GLY A 25 1.839 10.433 5.974 1.00 0.00 O ATOM 0 H GLY A 25 2.325 14.072 7.582 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.818 12.233 7.369 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.679 11.200 8.210 1.00 0.00 H new ATOM 270 N LEU A 26 2.013 12.567 5.272 1.00 0.00 N ATOM 271 CA LEU A 26 1.456 12.317 3.945 1.00 0.00 C ATOM 272 C LEU A 26 -0.047 12.040 3.999 1.00 0.00 C ATOM 273 O LEU A 26 -0.656 11.716 2.980 1.00 0.00 O ATOM 274 CB LEU A 26 2.178 11.147 3.267 1.00 0.00 C ATOM 275 CG LEU A 26 1.729 10.840 1.835 1.00 0.00 C ATOM 276 CD1 LEU A 26 1.467 12.126 1.065 1.00 0.00 C ATOM 277 CD2 LEU A 26 2.772 9.994 1.124 1.00 0.00 C ATOM 0 H LEU A 26 2.276 13.539 5.436 1.00 0.00 H new ATOM 0 HA LEU A 26 1.609 13.222 3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.247 11.358 3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.035 10.253 3.874 1.00 0.00 H new ATOM 0 HG LEU A 26 0.797 10.276 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.149 11.884 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.684 12.696 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.380 12.720 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.439 9.784 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.718 10.534 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.908 9.056 1.662 1.00 0.00 H new ATOM 289 N GLY A 27 -0.647 12.176 5.181 1.00 0.00 N ATOM 290 CA GLY A 27 -2.070 11.939 5.313 1.00 0.00 C ATOM 291 C GLY A 27 -2.491 10.567 4.823 1.00 0.00 C ATOM 292 O GLY A 27 -3.230 10.452 3.848 1.00 0.00 O ATOM 0 H GLY A 27 -0.173 12.445 6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.355 12.048 6.359 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.613 12.701 4.753 1.00 0.00 H new ATOM 296 N VAL A 28 -2.034 9.525 5.513 1.00 0.00 N ATOM 297 CA VAL A 28 -2.384 8.153 5.150 1.00 0.00 C ATOM 298 C VAL A 28 -1.803 7.152 6.145 1.00 0.00 C ATOM 299 O VAL A 28 -0.984 7.506 6.994 1.00 0.00 O ATOM 300 CB VAL A 28 -1.901 7.771 3.727 1.00 0.00 C ATOM 301 CG1 VAL A 28 -3.077 7.690 2.766 1.00 0.00 C ATOM 302 CG2 VAL A 28 -0.854 8.751 3.215 1.00 0.00 C ATOM 0 H VAL A 28 -1.422 9.603 6.325 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.473 8.110 5.170 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.434 6.788 3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.717 7.421 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.780 6.934 3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.577 8.657 2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.536 8.455 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.281 9.753 3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.006 8.748 3.885 1.00 0.00 H new ATOM 312 N SER A 29 -2.236 5.901 6.029 1.00 0.00 N ATOM 313 CA SER A 29 -1.765 4.837 6.908 1.00 0.00 C ATOM 314 C SER A 29 -1.923 3.480 6.232 1.00 0.00 C ATOM 315 O SER A 29 -2.968 3.185 5.652 1.00 0.00 O ATOM 316 CB SER A 29 -2.536 4.858 8.228 1.00 0.00 C ATOM 317 OG SER A 29 -2.044 5.868 9.091 1.00 0.00 O ATOM 0 H SER A 29 -2.916 5.598 5.331 1.00 0.00 H new ATOM 0 HA SER A 29 -0.708 5.004 7.116 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.595 5.027 8.031 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.454 3.887 8.716 1.00 0.00 H new ATOM 0 HG SER A 29 -1.601 6.563 8.561 1.00 0.00 H new ATOM 323 N VAL A 30 -0.881 2.657 6.302 1.00 0.00 N ATOM 324 CA VAL A 30 -0.914 1.335 5.687 1.00 0.00 C ATOM 325 C VAL A 30 -0.584 0.240 6.694 1.00 0.00 C ATOM 326 O VAL A 30 0.202 0.443 7.618 1.00 0.00 O ATOM 327 CB VAL A 30 0.067 1.239 4.504 1.00 0.00 C ATOM 328 CG1 VAL A 30 -0.485 1.970 3.290 1.00 0.00 C ATOM 329 CG2 VAL A 30 1.431 1.788 4.893 1.00 0.00 C ATOM 0 H VAL A 30 -0.007 2.881 6.777 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.931 1.189 5.322 1.00 0.00 H new ATOM 0 HB VAL A 30 0.187 0.188 4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.223 1.891 2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.435 1.523 2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.638 3.021 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.110 1.711 4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.333 2.833 5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.830 1.213 5.729 1.00 0.00 H new ATOM 339 N LYS A 31 -1.190 -0.926 6.497 1.00 0.00 N ATOM 340 CA LYS A 31 -0.968 -2.068 7.375 1.00 0.00 C ATOM 341 C LYS A 31 -0.262 -3.190 6.620 1.00 0.00 C ATOM 342 O LYS A 31 -0.440 -3.342 5.413 1.00 0.00 O ATOM 343 CB LYS A 31 -2.300 -2.554 7.956 1.00 0.00 C ATOM 344 CG LYS A 31 -3.166 -3.309 6.964 1.00 0.00 C ATOM 345 CD LYS A 31 -2.715 -4.750 6.840 1.00 0.00 C ATOM 346 CE LYS A 31 -3.882 -5.676 6.535 1.00 0.00 C ATOM 347 NZ LYS A 31 -4.617 -6.068 7.770 1.00 0.00 N ATOM 0 H LYS A 31 -1.842 -1.105 5.733 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.326 -1.759 8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.098 -3.199 8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.857 -1.695 8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.207 -3.276 7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.117 -2.823 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.968 -4.832 6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.234 -5.063 7.767 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.567 -5.182 5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.514 -6.570 6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.575 -6.385 7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.110 -6.842 8.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.680 -5.251 8.411 1.00 0.00 H new ATOM 361 N GLY A 32 0.545 -3.966 7.335 1.00 0.00 N ATOM 362 CA GLY A 32 1.270 -5.056 6.707 1.00 0.00 C ATOM 363 C GLY A 32 0.764 -6.418 7.136 1.00 0.00 C ATOM 364 O GLY A 32 0.474 -6.637 8.312 1.00 0.00 O ATOM 0 H GLY A 32 0.710 -3.861 8.336 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.186 -4.966 5.624 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.329 -4.972 6.953 1.00 0.00 H new ATOM 368 N ASN A 33 0.658 -7.336 6.179 1.00 0.00 N ATOM 369 CA ASN A 33 0.183 -8.686 6.467 1.00 0.00 C ATOM 370 C ASN A 33 1.174 -9.732 5.968 1.00 0.00 C ATOM 371 O ASN A 33 1.960 -9.473 5.055 1.00 0.00 O ATOM 372 CB ASN A 33 -1.186 -8.920 5.824 1.00 0.00 C ATOM 373 CG ASN A 33 -2.318 -8.834 6.829 1.00 0.00 C ATOM 374 OD1 ASN A 33 -2.308 -7.784 7.641 1.00 0.00 O flip ATOM 375 ND2 ASN A 33 -3.190 -9.701 6.874 1.00 0.00 N flip ATOM 0 H ASN A 33 0.894 -7.170 5.201 1.00 0.00 H new ATOM 0 HA ASN A 33 0.091 -8.784 7.549 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.346 -8.183 5.037 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.199 -9.901 5.349 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.157 -10.491 6.230 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.945 -9.630 7.556 1.00 0.00 H new ATOM 382 N ARG A 34 1.126 -10.915 6.570 1.00 0.00 N ATOM 383 CA ARG A 34 2.012 -12.007 6.189 1.00 0.00 C ATOM 384 C ARG A 34 1.257 -13.050 5.372 1.00 0.00 C ATOM 385 O ARG A 34 0.026 -13.043 5.328 1.00 0.00 O ATOM 386 CB ARG A 34 2.622 -12.658 7.431 1.00 0.00 C ATOM 387 CG ARG A 34 3.791 -11.881 8.014 1.00 0.00 C ATOM 388 CD ARG A 34 4.300 -12.521 9.294 1.00 0.00 C ATOM 389 NE ARG A 34 5.616 -12.013 9.675 1.00 0.00 N ATOM 390 CZ ARG A 34 5.811 -10.845 10.286 1.00 0.00 C ATOM 391 NH1 ARG A 34 4.780 -10.065 10.584 1.00 0.00 N ATOM 392 NH2 ARG A 34 7.041 -10.459 10.597 1.00 0.00 N ATOM 0 H ARG A 34 0.480 -11.142 7.326 1.00 0.00 H new ATOM 0 HA ARG A 34 2.815 -11.597 5.576 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.850 -12.762 8.193 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.956 -13.664 7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.598 -11.833 7.283 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.483 -10.855 8.216 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.591 -12.332 10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.353 -13.602 9.163 1.00 0.00 H new ATOM 0 HE ARG A 34 6.433 -12.586 9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.833 -10.358 10.345 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.935 -9.172 11.052 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.836 -11.056 10.368 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.192 -9.565 11.065 1.00 0.00 H new ATOM 406 N SER A 35 1.998 -13.943 4.725 1.00 0.00 N ATOM 407 CA SER A 35 1.395 -14.993 3.910 1.00 0.00 C ATOM 408 C SER A 35 0.300 -15.725 4.684 1.00 0.00 C ATOM 409 O SER A 35 0.454 -16.022 5.868 1.00 0.00 O ATOM 410 CB SER A 35 2.462 -15.987 3.448 1.00 0.00 C ATOM 411 OG SER A 35 2.011 -16.745 2.340 1.00 0.00 O ATOM 0 H SER A 35 3.018 -13.961 4.749 1.00 0.00 H new ATOM 0 HA SER A 35 0.944 -14.524 3.036 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.371 -15.449 3.178 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.719 -16.656 4.269 1.00 0.00 H new ATOM 0 HG SER A 35 2.744 -16.856 1.700 1.00 0.00 H new ATOM 417 N LYS A 36 -0.807 -16.011 4.006 1.00 0.00 N ATOM 418 CA LYS A 36 -1.927 -16.705 4.631 1.00 0.00 C ATOM 419 C LYS A 36 -1.574 -18.158 4.948 1.00 0.00 C ATOM 420 O LYS A 36 -2.290 -18.830 5.691 1.00 0.00 O ATOM 421 CB LYS A 36 -3.156 -16.652 3.721 1.00 0.00 C ATOM 422 CG LYS A 36 -4.104 -15.509 4.046 1.00 0.00 C ATOM 423 CD LYS A 36 -3.538 -14.169 3.602 1.00 0.00 C ATOM 424 CE LYS A 36 -2.952 -13.395 4.772 1.00 0.00 C ATOM 425 NZ LYS A 36 -3.888 -12.352 5.272 1.00 0.00 N ATOM 0 H LYS A 36 -0.952 -15.773 3.025 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.152 -16.199 5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.828 -16.558 2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.697 -17.595 3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.063 -15.680 3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.294 -15.487 5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.767 -14.330 2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.324 -13.579 3.132 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.713 -14.086 5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.017 -12.927 4.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.757 -12.230 6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.695 -11.452 4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.868 -12.644 5.081 1.00 0.00 H new ATOM 439 N GLU A 37 -0.469 -18.640 4.384 1.00 0.00 N ATOM 440 CA GLU A 37 -0.032 -20.013 4.613 1.00 0.00 C ATOM 441 C GLU A 37 1.179 -20.059 5.542 1.00 0.00 C ATOM 442 O GLU A 37 1.263 -20.917 6.421 1.00 0.00 O ATOM 443 CB GLU A 37 0.297 -20.705 3.286 1.00 0.00 C ATOM 444 CG GLU A 37 0.967 -19.795 2.266 1.00 0.00 C ATOM 445 CD GLU A 37 2.005 -20.521 1.434 1.00 0.00 C ATOM 446 OE1 GLU A 37 2.637 -21.461 1.960 1.00 0.00 O ATOM 447 OE2 GLU A 37 2.186 -20.149 0.255 1.00 0.00 O ATOM 0 H GLU A 37 0.138 -18.101 3.767 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.853 -20.545 5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.949 -21.556 3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.623 -21.101 2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.208 -19.373 1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.440 -18.960 2.784 1.00 0.00 H new ATOM 454 N ASN A 38 2.113 -19.135 5.343 1.00 0.00 N ATOM 455 CA ASN A 38 3.315 -19.078 6.168 1.00 0.00 C ATOM 456 C ASN A 38 3.529 -17.672 6.727 1.00 0.00 C ATOM 457 O ASN A 38 2.664 -16.806 6.602 1.00 0.00 O ATOM 458 CB ASN A 38 4.542 -19.519 5.361 1.00 0.00 C ATOM 459 CG ASN A 38 4.960 -18.497 4.320 1.00 0.00 C ATOM 460 OD1 ASN A 38 5.993 -17.842 4.457 1.00 0.00 O ATOM 461 ND2 ASN A 38 4.158 -18.357 3.272 1.00 0.00 N ATOM 0 H ASN A 38 2.062 -18.417 4.620 1.00 0.00 H new ATOM 0 HA ASN A 38 3.181 -19.763 7.005 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.374 -19.698 6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.325 -20.466 4.867 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.388 -17.685 2.540 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.311 -18.921 3.199 1.00 0.00 H new ATOM 468 N HIS A 39 4.685 -17.455 7.344 1.00 0.00 N ATOM 469 CA HIS A 39 5.011 -16.157 7.923 1.00 0.00 C ATOM 470 C HIS A 39 5.809 -15.307 6.936 1.00 0.00 C ATOM 471 O HIS A 39 6.810 -14.689 7.297 1.00 0.00 O ATOM 472 CB HIS A 39 5.798 -16.338 9.222 1.00 0.00 C ATOM 473 CG HIS A 39 5.218 -15.588 10.381 1.00 0.00 C ATOM 474 ND1 HIS A 39 3.861 -15.448 10.583 1.00 0.00 N ATOM 475 CD2 HIS A 39 5.819 -14.936 11.406 1.00 0.00 C ATOM 476 CE1 HIS A 39 3.652 -14.742 11.680 1.00 0.00 C ATOM 477 NE2 HIS A 39 4.822 -14.419 12.197 1.00 0.00 N ATOM 0 H HIS A 39 5.412 -18.161 7.456 1.00 0.00 H new ATOM 0 HA HIS A 39 4.078 -15.639 8.145 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.837 -17.399 9.469 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.825 -16.009 9.064 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.882 -14.841 11.570 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.687 -14.475 12.085 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.963 -13.873 13.047 1.00 0.00 H new ATOM 486 N ALA A 40 5.356 -15.282 5.686 1.00 0.00 N ATOM 487 CA ALA A 40 6.027 -14.510 4.646 1.00 0.00 C ATOM 488 C ALA A 40 5.457 -13.099 4.555 1.00 0.00 C ATOM 489 O ALA A 40 4.309 -12.908 4.153 1.00 0.00 O ATOM 490 CB ALA A 40 5.908 -15.222 3.306 1.00 0.00 C ATOM 0 H ALA A 40 4.528 -15.787 5.369 1.00 0.00 H new ATOM 0 HA ALA A 40 7.082 -14.427 4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.412 -14.637 2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.371 -16.207 3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.855 -15.333 3.045 1.00 0.00 H new ATOM 496 N ASP A 41 6.267 -12.114 4.928 1.00 0.00 N ATOM 497 CA ASP A 41 5.844 -10.718 4.887 1.00 0.00 C ATOM 498 C ASP A 41 5.423 -10.319 3.476 1.00 0.00 C ATOM 499 O ASP A 41 6.259 -9.967 2.644 1.00 0.00 O ATOM 500 CB ASP A 41 6.973 -9.806 5.373 1.00 0.00 C ATOM 501 CG ASP A 41 7.516 -10.227 6.723 1.00 0.00 C ATOM 502 OD1 ASP A 41 7.933 -11.397 6.858 1.00 0.00 O ATOM 503 OD2 ASP A 41 7.526 -9.386 7.647 1.00 0.00 O ATOM 0 H ASP A 41 7.220 -12.256 5.262 1.00 0.00 H new ATOM 0 HA ASP A 41 4.985 -10.605 5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.781 -9.812 4.642 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.607 -8.781 5.435 1.00 0.00 H new ATOM 508 N LEU A 42 4.122 -10.381 3.213 1.00 0.00 N ATOM 509 CA LEU A 42 3.589 -10.031 1.903 1.00 0.00 C ATOM 510 C LEU A 42 3.899 -8.578 1.556 1.00 0.00 C ATOM 511 O LEU A 42 4.787 -8.298 0.750 1.00 0.00 O ATOM 512 CB LEU A 42 2.079 -10.270 1.865 1.00 0.00 C ATOM 513 CG LEU A 42 1.655 -11.735 1.997 1.00 0.00 C ATOM 514 CD1 LEU A 42 0.202 -11.833 2.433 1.00 0.00 C ATOM 515 CD2 LEU A 42 1.871 -12.472 0.684 1.00 0.00 C ATOM 0 H LEU A 42 3.417 -10.671 3.891 1.00 0.00 H new ATOM 0 HA LEU A 42 4.069 -10.669 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.615 -9.699 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.687 -9.877 0.927 1.00 0.00 H new ATOM 0 HG LEU A 42 2.274 -12.205 2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.081 -12.882 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.078 -11.341 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.434 -11.347 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.564 -13.512 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.278 -12.001 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.926 -12.432 0.414 1.00 0.00 H new ATOM 527 N GLY A 43 3.162 -7.660 2.167 1.00 0.00 N ATOM 528 CA GLY A 43 3.372 -6.247 1.908 1.00 0.00 C ATOM 529 C GLY A 43 2.427 -5.361 2.697 1.00 0.00 C ATOM 530 O GLY A 43 1.814 -5.808 3.670 1.00 0.00 O ATOM 0 H GLY A 43 2.422 -7.867 2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.401 -5.985 2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.241 -6.054 0.843 1.00 0.00 H new ATOM 534 N ILE A 44 2.310 -4.105 2.278 1.00 0.00 N ATOM 535 CA ILE A 44 1.434 -3.152 2.950 1.00 0.00 C ATOM 536 C ILE A 44 0.259 -2.765 2.056 1.00 0.00 C ATOM 537 O ILE A 44 0.330 -2.885 0.833 1.00 0.00 O ATOM 538 CB ILE A 44 2.187 -1.864 3.374 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.696 -2.017 3.176 1.00 0.00 C ATOM 540 CG2 ILE A 44 1.885 -1.525 4.825 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.316 -3.086 4.052 1.00 0.00 C ATOM 0 H ILE A 44 2.811 -3.723 1.476 1.00 0.00 H new ATOM 0 HA ILE A 44 1.067 -3.651 3.847 1.00 0.00 H new ATOM 0 HB ILE A 44 1.839 -1.049 2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.895 -2.255 2.131 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.180 -1.063 3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.421 -0.619 5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.814 -1.365 4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.203 -2.348 5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.387 -3.139 3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.148 -2.840 5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.859 -4.050 3.828 1.00 0.00 H new ATOM 553 N PHE A 45 -0.821 -2.300 2.677 1.00 0.00 N ATOM 554 CA PHE A 45 -2.016 -1.893 1.941 1.00 0.00 C ATOM 555 C PHE A 45 -2.628 -0.647 2.567 1.00 0.00 C ATOM 556 O PHE A 45 -2.706 -0.532 3.792 1.00 0.00 O ATOM 557 CB PHE A 45 -3.050 -3.025 1.919 1.00 0.00 C ATOM 558 CG PHE A 45 -2.454 -4.397 2.056 1.00 0.00 C ATOM 559 CD1 PHE A 45 -1.965 -4.832 3.278 1.00 0.00 C ATOM 560 CD2 PHE A 45 -2.378 -5.249 0.967 1.00 0.00 C ATOM 561 CE1 PHE A 45 -1.412 -6.090 3.410 1.00 0.00 C ATOM 562 CE2 PHE A 45 -1.826 -6.509 1.093 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.342 -6.931 2.317 1.00 0.00 C ATOM 0 H PHE A 45 -0.894 -2.195 3.689 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.722 -1.667 0.916 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.764 -2.867 2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.610 -2.974 0.985 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.017 -4.179 4.137 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.755 -4.925 0.008 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.034 -6.416 4.368 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.773 -7.164 0.236 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.910 -7.916 2.418 1.00 0.00 H new ATOM 573 N VAL A 46 -3.061 0.287 1.728 1.00 0.00 N ATOM 574 CA VAL A 46 -3.665 1.525 2.208 1.00 0.00 C ATOM 575 C VAL A 46 -4.789 1.234 3.199 1.00 0.00 C ATOM 576 O VAL A 46 -5.879 0.814 2.813 1.00 0.00 O ATOM 577 CB VAL A 46 -4.219 2.371 1.048 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.671 3.733 1.548 1.00 0.00 C ATOM 579 CG2 VAL A 46 -3.178 2.516 -0.050 1.00 0.00 C ATOM 0 H VAL A 46 -3.005 0.211 0.712 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.878 2.090 2.708 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.086 1.859 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.059 4.316 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.453 3.605 2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.825 4.256 1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.587 3.117 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.291 3.005 0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.909 1.530 -0.429 1.00 0.00 H new ATOM 589 N LYS A 47 -4.509 1.457 4.479 1.00 0.00 N ATOM 590 CA LYS A 47 -5.487 1.216 5.532 1.00 0.00 C ATOM 591 C LYS A 47 -6.455 2.388 5.657 1.00 0.00 C ATOM 592 O LYS A 47 -7.646 2.197 5.901 1.00 0.00 O ATOM 593 CB LYS A 47 -4.771 0.975 6.867 1.00 0.00 C ATOM 594 CG LYS A 47 -5.686 1.038 8.081 1.00 0.00 C ATOM 595 CD LYS A 47 -6.874 0.100 7.935 1.00 0.00 C ATOM 596 CE LYS A 47 -6.462 -1.352 8.116 1.00 0.00 C ATOM 597 NZ LYS A 47 -6.771 -1.850 9.486 1.00 0.00 N ATOM 0 H LYS A 47 -3.610 1.805 4.812 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.062 0.328 5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.290 -0.003 6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.980 1.716 6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.122 0.776 8.976 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.042 2.059 8.216 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.635 0.358 8.671 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.324 0.232 6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.977 -1.970 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.394 -1.453 7.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.475 -2.844 9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.260 -1.277 10.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.794 -1.778 9.659 1.00 0.00 H new ATOM 611 N SER A 48 -5.936 3.599 5.492 1.00 0.00 N ATOM 612 CA SER A 48 -6.762 4.797 5.594 1.00 0.00 C ATOM 613 C SER A 48 -6.078 5.992 4.941 1.00 0.00 C ATOM 614 O SER A 48 -4.896 5.938 4.604 1.00 0.00 O ATOM 615 CB SER A 48 -7.069 5.106 7.061 1.00 0.00 C ATOM 616 OG SER A 48 -8.428 5.467 7.233 1.00 0.00 O ATOM 0 H SER A 48 -4.953 3.778 5.288 1.00 0.00 H new ATOM 0 HA SER A 48 -7.697 4.608 5.066 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.841 4.235 7.675 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.428 5.917 7.407 1.00 0.00 H new ATOM 0 HG SER A 48 -8.599 5.658 8.179 1.00 0.00 H new ATOM 622 N ILE A 49 -6.833 7.073 4.768 1.00 0.00 N ATOM 623 CA ILE A 49 -6.306 8.284 4.157 1.00 0.00 C ATOM 624 C ILE A 49 -6.831 9.527 4.866 1.00 0.00 C ATOM 625 O ILE A 49 -7.890 9.497 5.496 1.00 0.00 O ATOM 626 CB ILE A 49 -6.675 8.363 2.662 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.440 7.010 1.983 1.00 0.00 C ATOM 628 CG2 ILE A 49 -5.884 9.462 1.967 1.00 0.00 C ATOM 629 CD1 ILE A 49 -6.767 7.008 0.506 1.00 0.00 C ATOM 0 H ILE A 49 -7.813 7.133 5.044 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.221 8.244 4.254 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.734 8.609 2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.397 6.723 2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.045 6.253 2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.161 9.499 0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.106 10.421 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.818 9.254 2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.576 6.018 0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.817 7.264 0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.143 7.741 -0.006 1.00 0.00 H new ATOM 641 N ILE A 50 -6.085 10.617 4.755 1.00 0.00 N ATOM 642 CA ILE A 50 -6.462 11.879 5.377 1.00 0.00 C ATOM 643 C ILE A 50 -6.952 12.861 4.321 1.00 0.00 C ATOM 644 O ILE A 50 -6.148 13.493 3.635 1.00 0.00 O ATOM 645 CB ILE A 50 -5.274 12.508 6.145 1.00 0.00 C ATOM 646 CG1 ILE A 50 -4.911 11.671 7.378 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.597 13.937 6.562 1.00 0.00 C ATOM 648 CD1 ILE A 50 -4.360 10.301 7.059 1.00 0.00 C ATOM 0 H ILE A 50 -5.208 10.652 4.236 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.262 11.669 6.086 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.416 12.524 5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.176 12.217 7.970 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.799 11.557 8.000 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.749 14.360 7.100 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.800 14.538 5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.474 13.938 7.209 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.130 9.777 7.986 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.100 9.733 6.495 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.452 10.403 6.465 1.00 0.00 H new ATOM 660 N ASN A 51 -8.269 12.982 4.191 1.00 0.00 N ATOM 661 CA ASN A 51 -8.864 13.890 3.211 1.00 0.00 C ATOM 662 C ASN A 51 -8.493 15.339 3.514 1.00 0.00 C ATOM 663 O ASN A 51 -9.325 16.125 3.965 1.00 0.00 O ATOM 664 CB ASN A 51 -10.386 13.737 3.185 1.00 0.00 C ATOM 665 CG ASN A 51 -10.989 13.582 4.570 1.00 0.00 C ATOM 666 OD1 ASN A 51 -11.545 12.536 4.901 1.00 0.00 O ATOM 667 ND2 ASN A 51 -10.881 14.626 5.384 1.00 0.00 N ATOM 0 H ASN A 51 -8.946 12.464 4.751 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.467 13.627 2.231 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.825 14.608 2.699 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.648 12.868 2.581 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.268 14.580 6.327 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.411 15.474 5.066 1.00 0.00 H new ATOM 674 N GLY A 52 -7.237 15.679 3.262 1.00 0.00 N ATOM 675 CA GLY A 52 -6.762 17.025 3.507 1.00 0.00 C ATOM 676 C GLY A 52 -5.362 17.253 2.967 1.00 0.00 C ATOM 677 O GLY A 52 -5.009 18.373 2.598 1.00 0.00 O ATOM 0 H GLY A 52 -6.534 15.041 2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.446 17.738 3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.771 17.221 4.579 1.00 0.00 H new ATOM 681 N GLY A 53 -4.564 16.188 2.918 1.00 0.00 N ATOM 682 CA GLY A 53 -3.207 16.307 2.416 1.00 0.00 C ATOM 683 C GLY A 53 -3.021 15.650 1.062 1.00 0.00 C ATOM 684 O GLY A 53 -3.986 15.223 0.431 1.00 0.00 O ATOM 0 H GLY A 53 -4.832 15.250 3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.943 17.362 2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.519 15.856 3.131 1.00 0.00 H new ATOM 688 N ALA A 54 -1.771 15.582 0.617 1.00 0.00 N ATOM 689 CA ALA A 54 -1.427 14.988 -0.672 1.00 0.00 C ATOM 690 C ALA A 54 -2.217 13.717 -0.965 1.00 0.00 C ATOM 691 O ALA A 54 -2.846 13.600 -2.013 1.00 0.00 O ATOM 692 CB ALA A 54 0.059 14.691 -0.716 1.00 0.00 C ATOM 0 H ALA A 54 -0.968 15.936 1.138 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.691 15.713 -1.442 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.313 14.248 -1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.619 15.617 -0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.315 13.995 0.083 1.00 0.00 H new ATOM 698 N ALA A 55 -2.165 12.765 -0.046 1.00 0.00 N ATOM 699 CA ALA A 55 -2.869 11.498 -0.223 1.00 0.00 C ATOM 700 C ALA A 55 -4.333 11.723 -0.587 1.00 0.00 C ATOM 701 O ALA A 55 -4.950 10.896 -1.258 1.00 0.00 O ATOM 702 CB ALA A 55 -2.760 10.654 1.034 1.00 0.00 C ATOM 0 H ALA A 55 -1.645 12.842 0.828 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.398 10.965 -1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.290 9.713 0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.710 10.451 1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.202 11.192 1.873 1.00 0.00 H new ATOM 708 N SER A 56 -4.877 12.848 -0.144 1.00 0.00 N ATOM 709 CA SER A 56 -6.265 13.190 -0.427 1.00 0.00 C ATOM 710 C SER A 56 -6.388 13.828 -1.803 1.00 0.00 C ATOM 711 O SER A 56 -7.087 13.320 -2.679 1.00 0.00 O ATOM 712 CB SER A 56 -6.796 14.149 0.630 1.00 0.00 C ATOM 713 OG SER A 56 -8.102 14.593 0.306 1.00 0.00 O ATOM 0 H SER A 56 -4.378 13.541 0.414 1.00 0.00 H new ATOM 0 HA SER A 56 -6.854 12.273 -0.409 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.807 13.655 1.601 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.128 15.006 0.716 1.00 0.00 H new ATOM 0 HG SER A 56 -8.297 15.419 0.795 1.00 0.00 H new ATOM 719 N LYS A 57 -5.700 14.949 -1.978 1.00 0.00 N ATOM 720 CA LYS A 57 -5.723 15.673 -3.247 1.00 0.00 C ATOM 721 C LYS A 57 -5.238 14.789 -4.392 1.00 0.00 C ATOM 722 O LYS A 57 -5.583 15.017 -5.551 1.00 0.00 O ATOM 723 CB LYS A 57 -4.878 16.950 -3.175 1.00 0.00 C ATOM 724 CG LYS A 57 -3.624 16.825 -2.325 1.00 0.00 C ATOM 725 CD LYS A 57 -3.636 17.813 -1.168 1.00 0.00 C ATOM 726 CE LYS A 57 -2.227 18.197 -0.745 1.00 0.00 C ATOM 727 NZ LYS A 57 -2.000 19.667 -0.824 1.00 0.00 N ATOM 0 H LYS A 57 -5.118 15.378 -1.258 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.758 15.956 -3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.590 17.238 -4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.493 17.757 -2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.545 15.809 -1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.744 16.999 -2.944 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.186 18.708 -1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.164 17.376 -0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.050 17.858 0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.505 17.684 -1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.982 19.866 -0.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.352 20.024 -1.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.507 20.139 -0.048 1.00 0.00 H new ATOM 741 N ASP A 58 -4.437 13.780 -4.062 1.00 0.00 N ATOM 742 CA ASP A 58 -3.909 12.864 -5.066 1.00 0.00 C ATOM 743 C ASP A 58 -5.042 12.235 -5.870 1.00 0.00 C ATOM 744 O ASP A 58 -5.021 12.237 -7.101 1.00 0.00 O ATOM 745 CB ASP A 58 -3.067 11.772 -4.402 1.00 0.00 C ATOM 746 CG ASP A 58 -1.594 11.902 -4.731 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.178 12.998 -5.164 1.00 0.00 O ATOM 748 OD2 ASP A 58 -0.856 10.910 -4.560 1.00 0.00 O ATOM 0 H ASP A 58 -4.140 13.577 -3.108 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.275 13.433 -5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.201 11.820 -3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.424 10.794 -4.725 1.00 0.00 H new ATOM 753 N GLY A 59 -6.031 11.700 -5.163 1.00 0.00 N ATOM 754 CA GLY A 59 -7.164 11.078 -5.825 1.00 0.00 C ATOM 755 C GLY A 59 -6.774 9.858 -6.636 1.00 0.00 C ATOM 756 O GLY A 59 -7.546 9.390 -7.473 1.00 0.00 O ATOM 0 H GLY A 59 -6.069 11.686 -4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.903 10.790 -5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.641 11.807 -6.480 1.00 0.00 H new ATOM 760 N ARG A 60 -5.576 9.336 -6.388 1.00 0.00 N ATOM 761 CA ARG A 60 -5.094 8.158 -7.102 1.00 0.00 C ATOM 762 C ARG A 60 -4.892 6.985 -6.144 1.00 0.00 C ATOM 763 O ARG A 60 -4.706 5.847 -6.573 1.00 0.00 O ATOM 764 CB ARG A 60 -3.781 8.473 -7.821 1.00 0.00 C ATOM 765 CG ARG A 60 -3.870 9.666 -8.759 1.00 0.00 C ATOM 766 CD ARG A 60 -2.497 10.259 -9.038 1.00 0.00 C ATOM 767 NE ARG A 60 -2.247 11.454 -8.238 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.267 12.322 -8.488 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.436 12.121 -9.502 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.116 13.391 -7.719 1.00 0.00 N ATOM 0 H ARG A 60 -4.923 9.709 -5.700 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.847 7.878 -7.839 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.006 8.663 -7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.469 7.597 -8.390 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.332 9.359 -9.697 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.514 10.428 -8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.730 9.514 -8.827 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.417 10.507 -10.096 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.858 11.635 -7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.545 11.299 -10.095 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.312 12.789 -9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.750 13.549 -6.936 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.366 14.055 -7.910 1.00 0.00 H new ATOM 784 N LEU A 61 -4.927 7.274 -4.846 1.00 0.00 N ATOM 785 CA LEU A 61 -4.745 6.250 -3.828 1.00 0.00 C ATOM 786 C LEU A 61 -6.061 5.537 -3.533 1.00 0.00 C ATOM 787 O LEU A 61 -7.135 6.130 -3.632 1.00 0.00 O ATOM 788 CB LEU A 61 -4.192 6.874 -2.546 1.00 0.00 C ATOM 789 CG LEU A 61 -2.793 7.482 -2.668 1.00 0.00 C ATOM 790 CD1 LEU A 61 -1.773 6.412 -3.024 1.00 0.00 C ATOM 791 CD2 LEU A 61 -2.779 8.599 -3.699 1.00 0.00 C ATOM 0 H LEU A 61 -5.080 8.212 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.033 5.517 -4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.880 7.651 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.172 6.110 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.521 7.907 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.785 6.864 -3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.759 5.649 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.043 5.954 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.775 9.017 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.075 8.202 -4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.477 9.380 -3.398 1.00 0.00 H new ATOM 803 N ARG A 62 -5.969 4.264 -3.168 1.00 0.00 N ATOM 804 CA ARG A 62 -7.151 3.471 -2.855 1.00 0.00 C ATOM 805 C ARG A 62 -6.943 2.676 -1.572 1.00 0.00 C ATOM 806 O ARG A 62 -5.921 2.011 -1.403 1.00 0.00 O ATOM 807 CB ARG A 62 -7.478 2.525 -4.013 1.00 0.00 C ATOM 808 CG ARG A 62 -8.665 2.975 -4.849 1.00 0.00 C ATOM 809 CD ARG A 62 -8.222 3.818 -6.034 1.00 0.00 C ATOM 810 NE ARG A 62 -7.260 3.115 -6.879 1.00 0.00 N ATOM 811 CZ ARG A 62 -6.609 3.683 -7.891 1.00 0.00 C ATOM 812 NH1 ARG A 62 -6.815 4.961 -8.189 1.00 0.00 N ATOM 813 NH2 ARG A 62 -5.750 2.972 -8.608 1.00 0.00 N ATOM 0 H ARG A 62 -5.087 3.759 -3.081 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.990 4.152 -2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.603 2.437 -4.657 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.681 1.532 -3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.212 2.102 -5.206 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.352 3.550 -4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.093 4.093 -6.629 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.777 4.745 -5.673 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.077 2.131 -6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.475 5.512 -7.641 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.313 5.391 -8.966 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.588 1.990 -8.384 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.251 3.407 -9.384 1.00 0.00 H new ATOM 827 N VAL A 63 -7.916 2.751 -0.669 1.00 0.00 N ATOM 828 CA VAL A 63 -7.838 2.039 0.601 1.00 0.00 C ATOM 829 C VAL A 63 -7.906 0.529 0.389 1.00 0.00 C ATOM 830 O VAL A 63 -8.906 -0.112 0.713 1.00 0.00 O ATOM 831 CB VAL A 63 -8.970 2.468 1.557 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.766 1.856 2.934 1.00 0.00 C ATOM 833 CG2 VAL A 63 -9.050 3.985 1.646 1.00 0.00 C ATOM 0 H VAL A 63 -8.768 3.298 -0.794 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.879 2.296 1.051 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.916 2.101 1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.574 2.170 3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.765 0.769 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.812 2.190 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.854 4.268 2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.105 4.378 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.248 4.398 0.657 1.00 0.00 H new ATOM 843 N ASN A 64 -6.831 -0.035 -0.161 1.00 0.00 N ATOM 844 CA ASN A 64 -6.758 -1.473 -0.424 1.00 0.00 C ATOM 845 C ASN A 64 -5.552 -1.819 -1.298 1.00 0.00 C ATOM 846 O ASN A 64 -5.080 -2.955 -1.292 1.00 0.00 O ATOM 847 CB ASN A 64 -8.040 -1.965 -1.101 1.00 0.00 C ATOM 848 CG ASN A 64 -8.529 -1.016 -2.176 1.00 0.00 C ATOM 849 OD1 ASN A 64 -8.023 -1.017 -3.299 1.00 0.00 O ATOM 850 ND2 ASN A 64 -9.519 -0.200 -1.836 1.00 0.00 N ATOM 0 H ASN A 64 -5.996 0.483 -0.434 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.644 -1.974 0.537 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.861 -2.946 -1.541 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.819 -2.090 -0.349 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.891 0.462 -2.517 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.907 -0.234 -0.893 1.00 0.00 H new ATOM 857 N ASP A 65 -5.061 -0.837 -2.053 1.00 0.00 N ATOM 858 CA ASP A 65 -3.917 -1.047 -2.933 1.00 0.00 C ATOM 859 C ASP A 65 -2.710 -1.544 -2.147 1.00 0.00 C ATOM 860 O ASP A 65 -2.461 -1.100 -1.027 1.00 0.00 O ATOM 861 CB ASP A 65 -3.566 0.250 -3.665 1.00 0.00 C ATOM 862 CG ASP A 65 -4.239 0.349 -5.020 1.00 0.00 C ATOM 863 OD1 ASP A 65 -5.388 -0.124 -5.148 1.00 0.00 O ATOM 864 OD2 ASP A 65 -3.617 0.898 -5.954 1.00 0.00 O ATOM 0 H ASP A 65 -5.439 0.110 -2.072 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.188 -1.807 -3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.862 1.101 -3.052 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.485 0.310 -3.794 1.00 0.00 H new ATOM 869 N GLN A 66 -1.965 -2.470 -2.745 1.00 0.00 N ATOM 870 CA GLN A 66 -0.782 -3.031 -2.101 1.00 0.00 C ATOM 871 C GLN A 66 0.483 -2.304 -2.543 1.00 0.00 C ATOM 872 O GLN A 66 0.883 -2.385 -3.704 1.00 0.00 O ATOM 873 CB GLN A 66 -0.665 -4.523 -2.423 1.00 0.00 C ATOM 874 CG GLN A 66 0.075 -5.319 -1.359 1.00 0.00 C ATOM 875 CD GLN A 66 1.376 -5.907 -1.869 1.00 0.00 C ATOM 876 OE1 GLN A 66 2.340 -5.042 -2.167 1.00 0.00 O flip ATOM 877 NE2 GLN A 66 1.514 -7.124 -1.995 1.00 0.00 N flip ATOM 0 H GLN A 66 -2.159 -2.847 -3.673 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.891 -2.901 -1.024 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.665 -4.939 -2.546 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.151 -4.641 -3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.283 -4.673 -0.506 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.567 -6.124 -1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.747 -7.752 -1.754 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.395 -7.504 -2.340 1.00 0.00 H new ATOM 886 N LEU A 67 1.113 -1.596 -1.610 1.00 0.00 N ATOM 887 CA LEU A 67 2.337 -0.859 -1.905 1.00 0.00 C ATOM 888 C LEU A 67 3.416 -1.796 -2.434 1.00 0.00 C ATOM 889 O LEU A 67 3.681 -2.845 -1.849 1.00 0.00 O ATOM 890 CB LEU A 67 2.838 -0.138 -0.653 1.00 0.00 C ATOM 891 CG LEU A 67 1.870 0.891 -0.067 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.178 1.141 1.402 1.00 0.00 C ATOM 893 CD2 LEU A 67 1.932 2.189 -0.859 1.00 0.00 C ATOM 0 H LEU A 67 0.796 -1.517 -0.644 1.00 0.00 H new ATOM 0 HA LEU A 67 2.113 -0.119 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.060 -0.882 0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.776 0.363 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 67 0.858 0.493 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.479 1.876 1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.081 0.209 1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.196 1.518 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.237 2.911 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.944 2.591 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.659 1.996 -1.896 1.00 0.00 H new ATOM 905 N ILE A 68 4.033 -1.414 -3.548 1.00 0.00 N ATOM 906 CA ILE A 68 5.078 -2.228 -4.155 1.00 0.00 C ATOM 907 C ILE A 68 6.423 -1.511 -4.157 1.00 0.00 C ATOM 908 O ILE A 68 7.474 -2.152 -4.158 1.00 0.00 O ATOM 909 CB ILE A 68 4.720 -2.615 -5.602 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.265 -3.082 -5.685 1.00 0.00 C ATOM 911 CG2 ILE A 68 5.660 -3.699 -6.109 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.001 -4.385 -4.960 1.00 0.00 C ATOM 0 H ILE A 68 3.828 -0.548 -4.047 1.00 0.00 H new ATOM 0 HA ILE A 68 5.156 -3.130 -3.547 1.00 0.00 H new ATOM 0 HB ILE A 68 4.835 -1.736 -6.236 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.620 -2.308 -5.269 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.989 -3.197 -6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.394 -3.962 -7.133 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.686 -3.332 -6.083 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.574 -4.581 -5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.949 -4.652 -5.063 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.619 -5.173 -5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.244 -4.269 -3.904 1.00 0.00 H new ATOM 924 N ALA A 69 6.391 -0.181 -4.164 1.00 0.00 N ATOM 925 CA ALA A 69 7.623 0.602 -4.172 1.00 0.00 C ATOM 926 C ALA A 69 7.363 2.062 -3.822 1.00 0.00 C ATOM 927 O ALA A 69 6.221 2.474 -3.625 1.00 0.00 O ATOM 928 CB ALA A 69 8.300 0.500 -5.530 1.00 0.00 C ATOM 0 H ALA A 69 5.534 0.373 -4.164 1.00 0.00 H new ATOM 0 HA ALA A 69 8.284 0.190 -3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.218 1.088 -5.524 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.538 -0.543 -5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.630 0.881 -6.300 1.00 0.00 H new ATOM 934 N VAL A 70 8.438 2.839 -3.744 1.00 0.00 N ATOM 935 CA VAL A 70 8.344 4.259 -3.418 1.00 0.00 C ATOM 936 C VAL A 70 9.577 5.018 -3.907 1.00 0.00 C ATOM 937 O VAL A 70 10.659 4.902 -3.333 1.00 0.00 O ATOM 938 CB VAL A 70 8.176 4.477 -1.900 1.00 0.00 C ATOM 939 CG1 VAL A 70 9.380 3.945 -1.141 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.951 5.951 -1.594 1.00 0.00 C ATOM 0 H VAL A 70 9.390 2.508 -3.903 1.00 0.00 H new ATOM 0 HA VAL A 70 7.462 4.646 -3.928 1.00 0.00 H new ATOM 0 HB VAL A 70 7.298 3.921 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.239 4.110 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.488 2.877 -1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.278 4.466 -1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.835 6.086 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.807 6.530 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.050 6.295 -2.102 1.00 0.00 H new ATOM 950 N ASN A 71 9.403 5.795 -4.974 1.00 0.00 N ATOM 951 CA ASN A 71 10.499 6.573 -5.543 1.00 0.00 C ATOM 952 C ASN A 71 11.660 5.669 -5.945 1.00 0.00 C ATOM 953 O ASN A 71 12.824 6.004 -5.730 1.00 0.00 O ATOM 954 CB ASN A 71 10.982 7.622 -4.543 1.00 0.00 C ATOM 955 CG ASN A 71 9.916 8.649 -4.219 1.00 0.00 C ATOM 956 OD1 ASN A 71 9.354 8.557 -3.022 1.00 0.00 O flip ATOM 957 ND2 ASN A 71 9.601 9.514 -5.037 1.00 0.00 N flip ATOM 0 H ASN A 71 8.513 5.902 -5.461 1.00 0.00 H new ATOM 0 HA ASN A 71 10.126 7.075 -6.436 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.295 7.126 -3.624 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.859 8.128 -4.947 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.061 9.547 -5.947 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.881 10.198 -4.804 1.00 0.00 H new ATOM 964 N GLY A 72 11.335 4.520 -6.527 1.00 0.00 N ATOM 965 CA GLY A 72 12.364 3.586 -6.944 1.00 0.00 C ATOM 966 C GLY A 72 12.738 2.602 -5.851 1.00 0.00 C ATOM 967 O GLY A 72 13.421 1.612 -6.110 1.00 0.00 O ATOM 0 H GLY A 72 10.379 4.219 -6.717 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.017 3.036 -7.819 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.252 4.141 -7.247 1.00 0.00 H new ATOM 971 N GLU A 73 12.290 2.871 -4.628 1.00 0.00 N ATOM 972 CA GLU A 73 12.583 1.996 -3.499 1.00 0.00 C ATOM 973 C GLU A 73 11.543 0.888 -3.399 1.00 0.00 C ATOM 974 O GLU A 73 10.494 1.059 -2.779 1.00 0.00 O ATOM 975 CB GLU A 73 12.622 2.800 -2.197 1.00 0.00 C ATOM 976 CG GLU A 73 13.734 2.373 -1.254 1.00 0.00 C ATOM 977 CD GLU A 73 13.957 3.365 -0.129 1.00 0.00 C ATOM 978 OE1 GLU A 73 14.544 4.438 -0.391 1.00 0.00 O ATOM 979 OE2 GLU A 73 13.545 3.072 1.012 1.00 0.00 O ATOM 0 H GLU A 73 11.724 3.687 -4.394 1.00 0.00 H new ATOM 0 HA GLU A 73 13.561 1.543 -3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.744 3.857 -2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.664 2.697 -1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.492 1.398 -0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.659 2.255 -1.818 1.00 0.00 H new ATOM 986 N SER A 74 11.841 -0.248 -4.021 1.00 0.00 N ATOM 987 CA SER A 74 10.933 -1.388 -4.010 1.00 0.00 C ATOM 988 C SER A 74 10.554 -1.776 -2.586 1.00 0.00 C ATOM 989 O SER A 74 11.323 -1.567 -1.647 1.00 0.00 O ATOM 990 CB SER A 74 11.569 -2.580 -4.724 1.00 0.00 C ATOM 991 OG SER A 74 12.639 -2.168 -5.557 1.00 0.00 O ATOM 0 H SER A 74 12.706 -0.403 -4.540 1.00 0.00 H new ATOM 0 HA SER A 74 10.025 -1.098 -4.538 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.933 -3.296 -3.987 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.816 -3.093 -5.322 1.00 0.00 H new ATOM 0 HG SER A 74 13.029 -2.950 -6.000 1.00 0.00 H new ATOM 997 N LEU A 75 9.361 -2.336 -2.433 1.00 0.00 N ATOM 998 CA LEU A 75 8.870 -2.752 -1.125 1.00 0.00 C ATOM 999 C LEU A 75 8.643 -4.263 -1.070 1.00 0.00 C ATOM 1000 O LEU A 75 8.389 -4.819 -0.001 1.00 0.00 O ATOM 1001 CB LEU A 75 7.568 -2.017 -0.797 1.00 0.00 C ATOM 1002 CG LEU A 75 7.738 -0.627 -0.181 1.00 0.00 C ATOM 1003 CD1 LEU A 75 6.395 -0.084 0.280 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.725 -0.667 0.977 1.00 0.00 C ATOM 0 H LEU A 75 8.713 -2.513 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 75 9.628 -2.497 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.984 -1.922 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.986 -2.632 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 75 8.138 0.040 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.533 0.905 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.719 -0.014 -0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.969 -0.753 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.830 0.332 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.358 -1.349 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.694 -1.013 0.617 1.00 0.00 H new ATOM 1016 N LEU A 76 8.733 -4.925 -2.222 1.00 0.00 N ATOM 1017 CA LEU A 76 8.537 -6.370 -2.293 1.00 0.00 C ATOM 1018 C LEU A 76 9.358 -7.087 -1.223 1.00 0.00 C ATOM 1019 O LEU A 76 8.810 -7.796 -0.378 1.00 0.00 O ATOM 1020 CB LEU A 76 8.916 -6.890 -3.682 1.00 0.00 C ATOM 1021 CG LEU A 76 7.753 -7.462 -4.498 1.00 0.00 C ATOM 1022 CD1 LEU A 76 7.167 -6.394 -5.409 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.212 -8.664 -5.309 1.00 0.00 C ATOM 0 H LEU A 76 8.940 -4.483 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 76 7.482 -6.577 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.371 -6.076 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.676 -7.663 -3.569 1.00 0.00 H new ATOM 0 HG LEU A 76 6.975 -7.790 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.342 -6.817 -5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.802 -5.562 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.937 -6.036 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.373 -9.058 -5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 76 9.007 -8.361 -5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.585 -9.436 -4.636 1.00 0.00 H new ATOM 1035 N GLY A 77 10.671 -6.892 -1.263 1.00 0.00 N ATOM 1036 CA GLY A 77 11.542 -7.521 -0.289 1.00 0.00 C ATOM 1037 C GLY A 77 11.337 -6.973 1.111 1.00 0.00 C ATOM 1038 O GLY A 77 11.687 -7.620 2.096 1.00 0.00 O ATOM 0 H GLY A 77 11.147 -6.310 -1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.362 -8.596 -0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.580 -7.373 -0.585 1.00 0.00 H new ATOM 1042 N LYS A 78 10.766 -5.774 1.197 1.00 0.00 N ATOM 1043 CA LYS A 78 10.512 -5.137 2.484 1.00 0.00 C ATOM 1044 C LYS A 78 9.369 -5.814 3.216 1.00 0.00 C ATOM 1045 O LYS A 78 8.301 -6.047 2.649 1.00 0.00 O ATOM 1046 CB LYS A 78 10.177 -3.657 2.293 1.00 0.00 C ATOM 1047 CG LYS A 78 11.374 -2.797 1.928 1.00 0.00 C ATOM 1048 CD LYS A 78 11.651 -1.753 2.993 1.00 0.00 C ATOM 1049 CE LYS A 78 13.139 -1.571 3.225 1.00 0.00 C ATOM 1050 NZ LYS A 78 13.835 -1.061 2.012 1.00 0.00 N ATOM 0 H LYS A 78 10.471 -5.225 0.390 1.00 0.00 H new ATOM 0 HA LYS A 78 11.419 -5.233 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.423 -3.563 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.733 -3.274 3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.252 -3.429 1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.193 -2.305 0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.210 -0.802 2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.170 -2.048 3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.295 -0.877 4.051 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.579 -2.523 3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.861 -1.047 2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.625 -1.682 1.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.506 -0.097 1.802 1.00 0.00 H new ATOM 1064 N ALA A 79 9.593 -6.107 4.487 1.00 0.00 N ATOM 1065 CA ALA A 79 8.577 -6.732 5.311 1.00 0.00 C ATOM 1066 C ALA A 79 7.575 -5.683 5.764 1.00 0.00 C ATOM 1067 O ALA A 79 7.638 -4.531 5.334 1.00 0.00 O ATOM 1068 CB ALA A 79 9.217 -7.417 6.507 1.00 0.00 C ATOM 0 H ALA A 79 10.472 -5.921 4.969 1.00 0.00 H new ATOM 0 HA ALA A 79 8.054 -7.490 4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.443 -7.882 7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.913 -8.181 6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.755 -6.680 7.103 1.00 0.00 H new ATOM 1074 N ASN A 80 6.653 -6.072 6.628 1.00 0.00 N ATOM 1075 CA ASN A 80 5.649 -5.141 7.123 1.00 0.00 C ATOM 1076 C ASN A 80 6.309 -3.933 7.787 1.00 0.00 C ATOM 1077 O ASN A 80 6.003 -2.787 7.459 1.00 0.00 O ATOM 1078 CB ASN A 80 4.715 -5.842 8.113 1.00 0.00 C ATOM 1079 CG ASN A 80 5.469 -6.673 9.132 1.00 0.00 C ATOM 1080 OD1 ASN A 80 5.660 -7.952 8.826 1.00 0.00 O flip ATOM 1081 ND2 ASN A 80 5.875 -6.174 10.181 1.00 0.00 N flip ATOM 0 H ASN A 80 6.577 -7.019 7.000 1.00 0.00 H new ATOM 0 HA ASN A 80 5.063 -4.789 6.274 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.113 -5.095 8.631 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.025 -6.483 7.565 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.706 -5.187 10.375 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.381 -6.747 10.856 1.00 0.00 H new ATOM 1088 N GLN A 81 7.210 -4.199 8.726 1.00 0.00 N ATOM 1089 CA GLN A 81 7.909 -3.137 9.445 1.00 0.00 C ATOM 1090 C GLN A 81 8.901 -2.391 8.552 1.00 0.00 C ATOM 1091 O GLN A 81 9.080 -1.180 8.694 1.00 0.00 O ATOM 1092 CB GLN A 81 8.637 -3.710 10.662 1.00 0.00 C ATOM 1093 CG GLN A 81 9.451 -4.956 10.356 1.00 0.00 C ATOM 1094 CD GLN A 81 10.755 -5.005 11.128 1.00 0.00 C ATOM 1095 OE1 GLN A 81 10.893 -5.761 12.090 1.00 0.00 O ATOM 1096 NE2 GLN A 81 11.720 -4.194 10.710 1.00 0.00 N ATOM 0 H GLN A 81 7.475 -5.143 9.009 1.00 0.00 H new ATOM 0 HA GLN A 81 7.155 -2.421 9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.298 -2.946 11.072 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.905 -3.946 11.435 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.859 -5.840 10.594 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.664 -4.993 9.288 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.562 -3.584 9.908 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.619 -4.181 11.191 1.00 0.00 H new ATOM 1105 N GLU A 82 9.558 -3.110 7.644 1.00 0.00 N ATOM 1106 CA GLU A 82 10.537 -2.492 6.755 1.00 0.00 C ATOM 1107 C GLU A 82 9.864 -1.571 5.749 1.00 0.00 C ATOM 1108 O GLU A 82 10.336 -0.462 5.498 1.00 0.00 O ATOM 1109 CB GLU A 82 11.343 -3.559 6.012 1.00 0.00 C ATOM 1110 CG GLU A 82 11.826 -4.697 6.896 1.00 0.00 C ATOM 1111 CD GLU A 82 13.225 -4.465 7.432 1.00 0.00 C ATOM 1112 OE1 GLU A 82 13.529 -3.319 7.824 1.00 0.00 O ATOM 1113 OE2 GLU A 82 14.018 -5.429 7.458 1.00 0.00 O ATOM 0 H GLU A 82 9.431 -4.113 7.506 1.00 0.00 H new ATOM 0 HA GLU A 82 11.211 -1.900 7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.729 -3.971 5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.206 -3.086 5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.137 -4.821 7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.808 -5.627 6.327 1.00 0.00 H new ATOM 1120 N ALA A 83 8.765 -2.033 5.167 1.00 0.00 N ATOM 1121 CA ALA A 83 8.043 -1.241 4.186 1.00 0.00 C ATOM 1122 C ALA A 83 7.394 -0.047 4.860 1.00 0.00 C ATOM 1123 O ALA A 83 7.282 1.030 4.275 1.00 0.00 O ATOM 1124 CB ALA A 83 7.007 -2.092 3.474 1.00 0.00 C ATOM 0 H ALA A 83 8.357 -2.948 5.358 1.00 0.00 H new ATOM 0 HA ALA A 83 8.747 -0.875 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.476 -1.483 2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.503 -2.919 2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.298 -2.486 4.202 1.00 0.00 H new ATOM 1130 N MET A 84 6.980 -0.247 6.103 1.00 0.00 N ATOM 1131 CA MET A 84 6.354 0.813 6.874 1.00 0.00 C ATOM 1132 C MET A 84 7.381 1.879 7.231 1.00 0.00 C ATOM 1133 O MET A 84 7.058 3.060 7.344 1.00 0.00 O ATOM 1134 CB MET A 84 5.712 0.251 8.139 1.00 0.00 C ATOM 1135 CG MET A 84 4.205 0.160 8.039 1.00 0.00 C ATOM 1136 SD MET A 84 3.495 -0.995 9.220 1.00 0.00 S ATOM 1137 CE MET A 84 3.396 -2.458 8.200 1.00 0.00 C ATOM 0 H MET A 84 7.067 -1.135 6.598 1.00 0.00 H new ATOM 0 HA MET A 84 5.572 1.268 6.266 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.119 -0.740 8.338 1.00 0.00 H new ATOM 0 HB3 MET A 84 5.978 0.881 8.987 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.775 1.148 8.201 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.931 -0.146 7.029 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.354 -2.760 8.097 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.811 -2.244 7.215 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.963 -3.265 8.665 1.00 0.00 H new ATOM 1147 N GLU A 85 8.627 1.448 7.396 1.00 0.00 N ATOM 1148 CA GLU A 85 9.714 2.359 7.725 1.00 0.00 C ATOM 1149 C GLU A 85 10.215 3.038 6.459 1.00 0.00 C ATOM 1150 O GLU A 85 10.461 4.242 6.445 1.00 0.00 O ATOM 1151 CB GLU A 85 10.846 1.602 8.439 1.00 0.00 C ATOM 1152 CG GLU A 85 12.063 1.315 7.566 1.00 0.00 C ATOM 1153 CD GLU A 85 13.123 0.511 8.292 1.00 0.00 C ATOM 1154 OE1 GLU A 85 13.868 1.105 9.102 1.00 0.00 O ATOM 1155 OE2 GLU A 85 13.211 -0.711 8.052 1.00 0.00 O ATOM 0 H GLU A 85 8.908 0.472 7.307 1.00 0.00 H new ATOM 0 HA GLU A 85 9.349 3.128 8.405 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.164 2.182 9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.453 0.657 8.815 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.747 0.772 6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.494 2.258 7.229 1.00 0.00 H new ATOM 1162 N THR A 86 10.339 2.257 5.393 1.00 0.00 N ATOM 1163 CA THR A 86 10.777 2.785 4.112 1.00 0.00 C ATOM 1164 C THR A 86 9.756 3.802 3.621 1.00 0.00 C ATOM 1165 O THR A 86 10.109 4.836 3.055 1.00 0.00 O ATOM 1166 CB THR A 86 10.950 1.652 3.092 1.00 0.00 C ATOM 1167 OG1 THR A 86 12.234 1.066 3.215 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.786 2.093 1.650 1.00 0.00 C ATOM 0 H THR A 86 10.142 1.256 5.393 1.00 0.00 H new ATOM 0 HA THR A 86 11.744 3.273 4.231 1.00 0.00 H new ATOM 0 HB THR A 86 10.157 0.940 3.322 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.897 1.634 2.770 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.923 1.237 0.990 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.787 2.506 1.507 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.530 2.854 1.415 1.00 0.00 H new ATOM 1176 N LEU A 87 8.485 3.510 3.882 1.00 0.00 N ATOM 1177 CA LEU A 87 7.407 4.406 3.508 1.00 0.00 C ATOM 1178 C LEU A 87 7.497 5.646 4.377 1.00 0.00 C ATOM 1179 O LEU A 87 7.613 6.763 3.879 1.00 0.00 O ATOM 1180 CB LEU A 87 6.050 3.726 3.694 1.00 0.00 C ATOM 1181 CG LEU A 87 5.690 2.699 2.621 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.721 1.668 3.176 1.00 0.00 C ATOM 1183 CD2 LEU A 87 5.097 3.389 1.401 1.00 0.00 C ATOM 0 H LEU A 87 8.181 2.657 4.352 1.00 0.00 H new ATOM 0 HA LEU A 87 7.501 4.676 2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.038 3.233 4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.276 4.493 3.716 1.00 0.00 H new ATOM 0 HG LEU A 87 6.601 2.185 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.475 0.944 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.181 1.153 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.811 2.166 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.846 2.643 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.196 3.929 1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.824 4.090 0.990 1.00 0.00 H new ATOM 1195 N ARG A 88 7.487 5.426 5.688 1.00 0.00 N ATOM 1196 CA ARG A 88 7.614 6.510 6.651 1.00 0.00 C ATOM 1197 C ARG A 88 8.877 7.307 6.351 1.00 0.00 C ATOM 1198 O ARG A 88 8.940 8.516 6.583 1.00 0.00 O ATOM 1199 CB ARG A 88 7.671 5.954 8.075 1.00 0.00 C ATOM 1200 CG ARG A 88 6.332 5.446 8.584 1.00 0.00 C ATOM 1201 CD ARG A 88 6.500 4.571 9.816 1.00 0.00 C ATOM 1202 NE ARG A 88 5.308 4.579 10.662 1.00 0.00 N ATOM 1203 CZ ARG A 88 5.007 5.560 11.509 1.00 0.00 C ATOM 1204 NH1 ARG A 88 5.806 6.615 11.627 1.00 0.00 N ATOM 1205 NH2 ARG A 88 3.903 5.489 12.239 1.00 0.00 N ATOM 0 H ARG A 88 7.392 4.501 6.108 1.00 0.00 H new ATOM 0 HA ARG A 88 6.745 7.163 6.570 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.396 5.141 8.110 1.00 0.00 H new ATOM 0 HB3 ARG A 88 8.034 6.733 8.746 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.687 6.292 8.822 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.835 4.878 7.798 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.718 3.549 9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.356 4.919 10.393 1.00 0.00 H new ATOM 0 HE ARG A 88 4.670 3.786 10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.656 6.676 11.066 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.569 7.364 12.278 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.285 4.683 12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.672 6.241 12.888 1.00 0.00 H new ATOM 1219 N ARG A 89 9.875 6.614 5.806 1.00 0.00 N ATOM 1220 CA ARG A 89 11.136 7.240 5.440 1.00 0.00 C ATOM 1221 C ARG A 89 10.928 8.137 4.236 1.00 0.00 C ATOM 1222 O ARG A 89 11.263 9.322 4.259 1.00 0.00 O ATOM 1223 CB ARG A 89 12.185 6.179 5.122 1.00 0.00 C ATOM 1224 CG ARG A 89 13.165 5.961 6.256 1.00 0.00 C ATOM 1225 CD ARG A 89 13.920 4.657 6.099 1.00 0.00 C ATOM 1226 NE ARG A 89 14.418 4.469 4.738 1.00 0.00 N ATOM 1227 CZ ARG A 89 15.036 3.367 4.321 1.00 0.00 C ATOM 1228 NH1 ARG A 89 15.237 2.354 5.155 1.00 0.00 N ATOM 1229 NH2 ARG A 89 15.457 3.278 3.067 1.00 0.00 N ATOM 0 H ARG A 89 9.830 5.614 5.609 1.00 0.00 H new ATOM 0 HA ARG A 89 11.490 7.837 6.280 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.685 5.238 4.895 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.733 6.473 4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.872 6.790 6.290 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.629 5.960 7.205 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.757 4.637 6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 89 13.266 3.826 6.363 1.00 0.00 H new ATOM 0 HE ARG A 89 14.284 5.227 4.069 1.00 0.00 H new ATOM 0 HH11 ARG A 89 14.917 2.418 6.121 1.00 0.00 H new ATOM 0 HH12 ARG A 89 15.711 1.512 4.829 1.00 0.00 H new ATOM 0 HH21 ARG A 89 15.307 4.054 2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 89 15.931 2.433 2.747 1.00 0.00 H new ATOM 1243 N SER A 90 10.352 7.561 3.189 1.00 0.00 N ATOM 1244 CA SER A 90 10.071 8.303 1.974 1.00 0.00 C ATOM 1245 C SER A 90 9.096 9.434 2.273 1.00 0.00 C ATOM 1246 O SER A 90 9.120 10.485 1.632 1.00 0.00 O ATOM 1247 CB SER A 90 9.493 7.378 0.901 1.00 0.00 C ATOM 1248 OG SER A 90 10.385 6.315 0.611 1.00 0.00 O ATOM 0 H SER A 90 10.071 6.581 3.160 1.00 0.00 H new ATOM 0 HA SER A 90 11.003 8.725 1.598 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.539 6.974 1.240 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.294 7.948 -0.007 1.00 0.00 H new ATOM 0 HG SER A 90 10.413 5.695 1.370 1.00 0.00 H new ATOM 1254 N MET A 91 8.242 9.201 3.265 1.00 0.00 N ATOM 1255 CA MET A 91 7.252 10.180 3.684 1.00 0.00 C ATOM 1256 C MET A 91 7.873 11.211 4.624 1.00 0.00 C ATOM 1257 O MET A 91 7.312 12.284 4.839 1.00 0.00 O ATOM 1258 CB MET A 91 6.092 9.475 4.392 1.00 0.00 C ATOM 1259 CG MET A 91 5.087 8.851 3.439 1.00 0.00 C ATOM 1260 SD MET A 91 4.760 7.115 3.787 1.00 0.00 S ATOM 1261 CE MET A 91 5.040 6.410 2.167 1.00 0.00 C ATOM 0 H MET A 91 8.219 8.331 3.797 1.00 0.00 H new ATOM 0 HA MET A 91 6.882 10.695 2.797 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.493 8.699 5.043 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.577 10.193 5.031 1.00 0.00 H new ATOM 0 HG2 MET A 91 4.151 9.408 3.493 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.457 8.947 2.418 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.338 5.594 1.999 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.894 7.177 1.406 1.00 0.00 H new ATOM 0 HE3 MET A 91 6.060 6.030 2.107 1.00 0.00 H new ATOM 1271 N SER A 92 9.025 10.868 5.199 1.00 0.00 N ATOM 1272 CA SER A 92 9.707 11.754 6.131 1.00 0.00 C ATOM 1273 C SER A 92 10.829 12.545 5.465 1.00 0.00 C ATOM 1274 O SER A 92 10.893 13.767 5.596 1.00 0.00 O ATOM 1275 CB SER A 92 10.270 10.950 7.305 1.00 0.00 C ATOM 1276 OG SER A 92 11.076 11.763 8.140 1.00 0.00 O ATOM 0 H SER A 92 9.503 9.982 5.033 1.00 0.00 H new ATOM 0 HA SER A 92 8.969 12.470 6.491 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.451 10.526 7.886 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.859 10.114 6.928 1.00 0.00 H new ATOM 0 HG SER A 92 11.422 11.226 8.883 1.00 0.00 H new ATOM 1282 N THR A 93 11.726 11.851 4.771 1.00 0.00 N ATOM 1283 CA THR A 93 12.850 12.520 4.122 1.00 0.00 C ATOM 1284 C THR A 93 13.649 11.576 3.224 1.00 0.00 C ATOM 1285 O THR A 93 14.774 11.200 3.555 1.00 0.00 O ATOM 1286 CB THR A 93 13.775 13.093 5.188 1.00 0.00 C ATOM 1287 OG1 THR A 93 14.871 13.768 4.599 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.326 12.023 6.105 1.00 0.00 C ATOM 0 H THR A 93 11.699 10.839 4.644 1.00 0.00 H new ATOM 0 HA THR A 93 12.443 13.311 3.492 1.00 0.00 H new ATOM 0 HB THR A 93 13.168 13.786 5.771 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.450 14.128 5.303 1.00 0.00 H new ATOM 0 HG21 THR A 93 14.979 12.481 6.847 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.503 11.517 6.609 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.893 11.299 5.520 1.00 0.00 H new ATOM 1296 N GLU A 94 13.078 11.216 2.083 1.00 0.00 N ATOM 1297 CA GLU A 94 13.746 10.332 1.131 1.00 0.00 C ATOM 1298 C GLU A 94 12.981 10.317 -0.178 1.00 0.00 C ATOM 1299 O GLU A 94 13.558 10.429 -1.261 1.00 0.00 O ATOM 1300 CB GLU A 94 13.849 8.911 1.686 1.00 0.00 C ATOM 1301 CG GLU A 94 14.939 8.739 2.726 1.00 0.00 C ATOM 1302 CD GLU A 94 15.538 7.346 2.722 1.00 0.00 C ATOM 1303 OE1 GLU A 94 14.875 6.417 2.214 1.00 0.00 O ATOM 1304 OE2 GLU A 94 16.669 7.184 3.225 1.00 0.00 O ATOM 0 H GLU A 94 12.150 11.523 1.791 1.00 0.00 H new ATOM 0 HA GLU A 94 14.755 10.709 0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.892 8.633 2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.033 8.221 0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.727 9.469 2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.530 8.951 3.714 1.00 0.00 H new ATOM 1311 N GLY A 95 11.669 10.210 -0.056 1.00 0.00 N ATOM 1312 CA GLY A 95 10.806 10.215 -1.213 1.00 0.00 C ATOM 1313 C GLY A 95 10.251 11.598 -1.448 1.00 0.00 C ATOM 1314 O GLY A 95 9.892 11.961 -2.568 1.00 0.00 O ATOM 0 H GLY A 95 11.183 10.119 0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.362 9.885 -2.091 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.989 9.508 -1.069 1.00 0.00 H new ATOM 1318 N ASN A 96 10.205 12.378 -0.371 1.00 0.00 N ATOM 1319 CA ASN A 96 9.718 13.741 -0.432 1.00 0.00 C ATOM 1320 C ASN A 96 10.885 14.707 -0.580 1.00 0.00 C ATOM 1321 O ASN A 96 11.215 15.121 -1.687 1.00 0.00 O ATOM 1322 CB ASN A 96 8.906 14.076 0.820 1.00 0.00 C ATOM 1323 CG ASN A 96 8.416 15.508 0.812 1.00 0.00 C ATOM 1324 OD1 ASN A 96 7.395 15.818 0.207 1.00 0.00 O ATOM 1325 ND2 ASN A 96 9.148 16.395 1.477 1.00 0.00 N ATOM 0 H ASN A 96 10.503 12.081 0.558 1.00 0.00 H new ATOM 0 HA ASN A 96 9.067 13.840 -1.301 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.053 13.401 0.890 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.519 13.908 1.705 1.00 0.00 H new ATOM 0 HD21 ASN A 96 8.867 17.375 1.497 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.991 16.096 1.967 1.00 0.00 H new ATOM 1332 N LYS A 97 11.506 15.065 0.546 1.00 0.00 N ATOM 1333 CA LYS A 97 12.643 15.986 0.554 1.00 0.00 C ATOM 1334 C LYS A 97 12.399 17.214 -0.339 1.00 0.00 C ATOM 1335 O LYS A 97 13.335 17.942 -0.670 1.00 0.00 O ATOM 1336 CB LYS A 97 13.914 15.243 0.120 1.00 0.00 C ATOM 1337 CG LYS A 97 13.963 14.923 -1.364 1.00 0.00 C ATOM 1338 CD LYS A 97 15.208 14.136 -1.725 1.00 0.00 C ATOM 1339 CE LYS A 97 14.916 13.124 -2.818 1.00 0.00 C ATOM 1340 NZ LYS A 97 16.126 12.344 -3.197 1.00 0.00 N ATOM 0 H LYS A 97 11.237 14.728 1.470 1.00 0.00 H new ATOM 0 HA LYS A 97 12.769 16.355 1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.783 15.847 0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.991 14.314 0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.077 14.352 -1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.939 15.850 -1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.990 14.819 -2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.587 13.623 -0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.136 12.441 -2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.529 13.641 -3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.881 11.665 -3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.862 12.992 -3.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.482 11.829 -2.366 1.00 0.00 H new ATOM 1354 N ARG A 98 11.137 17.440 -0.721 1.00 0.00 N ATOM 1355 CA ARG A 98 10.768 18.575 -1.567 1.00 0.00 C ATOM 1356 C ARG A 98 9.315 18.985 -1.322 1.00 0.00 C ATOM 1357 O ARG A 98 8.988 20.171 -1.298 1.00 0.00 O ATOM 1358 CB ARG A 98 10.936 18.254 -3.063 1.00 0.00 C ATOM 1359 CG ARG A 98 11.968 17.181 -3.390 1.00 0.00 C ATOM 1360 CD ARG A 98 11.337 16.014 -4.132 1.00 0.00 C ATOM 1361 NE ARG A 98 11.451 16.158 -5.581 1.00 0.00 N ATOM 1362 CZ ARG A 98 12.607 16.141 -6.241 1.00 0.00 C ATOM 1363 NH1 ARG A 98 13.750 15.987 -5.584 1.00 0.00 N ATOM 1364 NH2 ARG A 98 12.621 16.280 -7.558 1.00 0.00 N ATOM 0 H ARG A 98 10.351 16.846 -0.454 1.00 0.00 H new ATOM 0 HA ARG A 98 11.439 19.392 -1.301 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.971 17.939 -3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.212 19.170 -3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.764 17.612 -3.997 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.428 16.823 -2.469 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.817 15.086 -3.822 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.285 15.937 -3.857 1.00 0.00 H new ATOM 0 HE ARG A 98 10.593 16.279 -6.120 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.745 15.881 -4.570 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.633 15.975 -6.094 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.746 16.400 -8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.507 16.267 -8.063 1.00 0.00 H new ATOM 1378 N GLY A 99 8.453 17.989 -1.158 1.00 0.00 N ATOM 1379 CA GLY A 99 7.040 18.242 -0.936 1.00 0.00 C ATOM 1380 C GLY A 99 6.147 17.288 -1.719 1.00 0.00 C ATOM 1381 O GLY A 99 4.951 17.534 -1.874 1.00 0.00 O ATOM 0 H GLY A 99 8.709 17.002 -1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.820 18.150 0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.809 19.268 -1.222 1.00 0.00 H new ATOM 1385 N MET A 100 6.734 16.196 -2.213 1.00 0.00 N ATOM 1386 CA MET A 100 5.996 15.200 -2.980 1.00 0.00 C ATOM 1387 C MET A 100 6.798 13.902 -3.100 1.00 0.00 C ATOM 1388 O MET A 100 8.027 13.924 -3.133 1.00 0.00 O ATOM 1389 CB MET A 100 5.665 15.749 -4.371 1.00 0.00 C ATOM 1390 CG MET A 100 6.783 15.576 -5.391 1.00 0.00 C ATOM 1391 SD MET A 100 6.364 16.270 -7.001 1.00 0.00 S ATOM 1392 CE MET A 100 4.665 15.731 -7.161 1.00 0.00 C ATOM 0 H MET A 100 7.724 15.982 -2.093 1.00 0.00 H new ATOM 0 HA MET A 100 5.067 14.979 -2.455 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.769 15.251 -4.742 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.428 16.809 -4.284 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.688 16.055 -5.017 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.007 14.515 -5.504 1.00 0.00 H new ATOM 0 HE1 MET A 100 4.377 15.741 -8.212 1.00 0.00 H new ATOM 0 HE2 MET A 100 4.566 14.719 -6.768 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.016 16.404 -6.601 1.00 0.00 H new ATOM 1402 N ILE A 101 6.095 12.774 -3.168 1.00 0.00 N ATOM 1403 CA ILE A 101 6.750 11.472 -3.282 1.00 0.00 C ATOM 1404 C ILE A 101 5.995 10.556 -4.243 1.00 0.00 C ATOM 1405 O ILE A 101 4.775 10.647 -4.373 1.00 0.00 O ATOM 1406 CB ILE A 101 6.902 10.782 -1.896 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.286 9.378 -1.886 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.279 11.632 -0.799 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.458 8.657 -0.568 1.00 0.00 C ATOM 0 H ILE A 101 5.076 12.734 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 101 7.747 11.652 -3.683 1.00 0.00 H new ATOM 0 HB ILE A 101 7.970 10.680 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.223 9.454 -2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.741 8.784 -2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.397 11.130 0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.775 12.602 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.218 11.774 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.999 7.670 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.520 8.550 -0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.979 9.230 0.226 1.00 0.00 H new ATOM 1421 N GLN A 102 6.728 9.668 -4.909 1.00 0.00 N ATOM 1422 CA GLN A 102 6.129 8.731 -5.850 1.00 0.00 C ATOM 1423 C GLN A 102 6.013 7.349 -5.219 1.00 0.00 C ATOM 1424 O GLN A 102 7.014 6.753 -4.822 1.00 0.00 O ATOM 1425 CB GLN A 102 6.964 8.654 -7.130 1.00 0.00 C ATOM 1426 CG GLN A 102 6.367 7.744 -8.191 1.00 0.00 C ATOM 1427 CD GLN A 102 6.904 8.037 -9.578 1.00 0.00 C ATOM 1428 OE1 GLN A 102 7.872 7.421 -10.024 1.00 0.00 O ATOM 1429 NE2 GLN A 102 6.275 8.980 -10.269 1.00 0.00 N ATOM 0 H GLN A 102 7.740 9.579 -4.813 1.00 0.00 H new ATOM 0 HA GLN A 102 5.131 9.087 -6.103 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.074 9.657 -7.543 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.964 8.300 -6.881 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.579 6.706 -7.935 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.283 7.857 -8.194 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.477 9.465 -9.860 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.590 9.219 -11.209 1.00 0.00 H new ATOM 1438 N LEU A 103 4.788 6.849 -5.117 1.00 0.00 N ATOM 1439 CA LEU A 103 4.551 5.542 -4.519 1.00 0.00 C ATOM 1440 C LEU A 103 3.945 4.568 -5.524 1.00 0.00 C ATOM 1441 O LEU A 103 3.020 4.911 -6.263 1.00 0.00 O ATOM 1442 CB LEU A 103 3.627 5.677 -3.307 1.00 0.00 C ATOM 1443 CG LEU A 103 4.232 6.419 -2.112 1.00 0.00 C ATOM 1444 CD1 LEU A 103 3.191 7.312 -1.455 1.00 0.00 C ATOM 1445 CD2 LEU A 103 4.800 5.431 -1.105 1.00 0.00 C ATOM 0 H LEU A 103 3.946 7.327 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 103 5.514 5.144 -4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.720 6.196 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.329 4.680 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 103 5.045 7.049 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.639 7.831 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.830 8.043 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.357 6.703 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.226 5.975 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.005 4.776 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.577 4.833 -1.581 1.00 0.00 H new ATOM 1457 N ILE A 104 4.468 3.346 -5.532 1.00 0.00 N ATOM 1458 CA ILE A 104 3.979 2.305 -6.425 1.00 0.00 C ATOM 1459 C ILE A 104 3.134 1.304 -5.653 1.00 0.00 C ATOM 1460 O ILE A 104 3.434 0.979 -4.502 1.00 0.00 O ATOM 1461 CB ILE A 104 5.134 1.561 -7.124 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.979 2.539 -7.935 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.594 0.455 -8.022 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.176 3.372 -8.909 1.00 0.00 C ATOM 0 H ILE A 104 5.234 3.053 -4.926 1.00 0.00 H new ATOM 0 HA ILE A 104 3.373 2.793 -7.189 1.00 0.00 H new ATOM 0 HB ILE A 104 5.764 1.106 -6.360 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.507 3.204 -7.251 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.737 1.981 -8.486 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.425 -0.058 -8.506 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.028 -0.257 -7.422 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.943 0.888 -8.781 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.843 4.043 -9.450 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.669 2.716 -9.617 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.436 3.957 -8.363 1.00 0.00 H new ATOM 1476 N VAL A 105 2.075 0.825 -6.286 1.00 0.00 N ATOM 1477 CA VAL A 105 1.180 -0.131 -5.647 1.00 0.00 C ATOM 1478 C VAL A 105 0.700 -1.200 -6.623 1.00 0.00 C ATOM 1479 O VAL A 105 0.984 -1.139 -7.820 1.00 0.00 O ATOM 1480 CB VAL A 105 -0.051 0.570 -5.041 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.308 1.236 -3.724 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.626 1.582 -6.022 1.00 0.00 C ATOM 0 H VAL A 105 1.813 1.080 -7.238 1.00 0.00 H new ATOM 0 HA VAL A 105 1.758 -0.606 -4.854 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.814 -0.183 -4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.574 1.726 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.667 0.484 -3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.089 1.977 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.495 2.067 -5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.129 2.333 -6.255 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.925 1.072 -6.938 1.00 0.00 H new ATOM 1492 N ALA A 106 -0.036 -2.172 -6.096 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.573 -3.257 -6.904 1.00 0.00 C ATOM 1494 C ALA A 106 -2.097 -3.249 -6.865 1.00 0.00 C ATOM 1495 O ALA A 106 -2.699 -3.169 -5.794 1.00 0.00 O ATOM 1496 CB ALA A 106 -0.036 -4.595 -6.419 1.00 0.00 C ATOM 0 H ALA A 106 -0.275 -2.229 -5.106 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.254 -3.109 -7.936 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.447 -5.396 -7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.051 -4.600 -6.496 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -0.327 -4.749 -5.380 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.714 -3.323 -8.040 1.00 0.00 N ATOM 1503 CA ARG A 107 -4.169 -3.315 -8.142 1.00 0.00 C ATOM 1504 C ARG A 107 -4.693 -4.636 -8.697 1.00 0.00 C ATOM 1505 O ARG A 107 -4.093 -5.226 -9.596 1.00 0.00 O ATOM 1506 CB ARG A 107 -4.626 -2.157 -9.032 1.00 0.00 C ATOM 1507 CG ARG A 107 -5.697 -1.288 -8.397 1.00 0.00 C ATOM 1508 CD ARG A 107 -6.953 -2.088 -8.089 1.00 0.00 C ATOM 1509 NE ARG A 107 -7.134 -2.289 -6.653 1.00 0.00 N ATOM 1510 CZ ARG A 107 -7.919 -3.225 -6.128 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -8.601 -4.051 -6.914 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -8.025 -3.339 -4.811 1.00 0.00 N ATOM 0 H ARG A 107 -2.229 -3.389 -8.935 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.576 -3.184 -7.139 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.764 -1.536 -9.277 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.006 -2.560 -9.971 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.311 -0.846 -7.478 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.944 -0.465 -9.067 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.822 -1.570 -8.495 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.898 -3.056 -8.587 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.628 -1.675 -6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.524 -3.970 -7.928 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.201 -4.766 -6.504 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.504 -2.709 -4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.627 -4.057 -4.408 1.00 0.00 H new ATOM 1526 N ARG A 108 -5.822 -5.089 -8.161 1.00 0.00 N ATOM 1527 CA ARG A 108 -6.432 -6.336 -8.607 1.00 0.00 C ATOM 1528 C ARG A 108 -7.311 -6.098 -9.831 1.00 0.00 C ATOM 1529 O ARG A 108 -7.952 -5.053 -9.952 1.00 0.00 O ATOM 1530 CB ARG A 108 -7.260 -6.955 -7.478 1.00 0.00 C ATOM 1531 CG ARG A 108 -7.146 -8.468 -7.400 1.00 0.00 C ATOM 1532 CD ARG A 108 -8.126 -9.149 -8.341 1.00 0.00 C ATOM 1533 NE ARG A 108 -8.390 -10.533 -7.948 1.00 0.00 N ATOM 1534 CZ ARG A 108 -9.446 -11.232 -8.356 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -10.339 -10.682 -9.170 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -9.609 -12.483 -7.951 1.00 0.00 N ATOM 0 H ARG A 108 -6.332 -4.612 -7.418 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.636 -7.028 -8.882 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.942 -6.525 -6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -8.307 -6.684 -7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.129 -8.771 -7.650 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.334 -8.796 -6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.062 -8.591 -8.355 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -7.728 -9.130 -9.355 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.725 -10.989 -7.324 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -10.217 -9.720 -9.485 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -11.147 -11.222 -9.480 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.925 -12.910 -7.326 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.419 -13.019 -8.264 1.00 0.00 H new ATOM 1550 N ILE A 109 -7.336 -7.070 -10.736 1.00 0.00 N ATOM 1551 CA ILE A 109 -8.135 -6.963 -11.951 1.00 0.00 C ATOM 1552 C ILE A 109 -9.580 -7.374 -11.701 1.00 0.00 C ATOM 1553 O ILE A 109 -9.880 -8.072 -10.733 1.00 0.00 O ATOM 1554 CB ILE A 109 -7.557 -7.830 -13.088 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -6.041 -7.654 -13.173 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -8.219 -7.476 -14.411 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -5.615 -6.282 -13.646 1.00 0.00 C ATOM 0 H ILE A 109 -6.812 -7.941 -10.651 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.105 -5.916 -12.252 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.766 -8.878 -12.871 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -5.607 -7.841 -12.191 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -5.634 -8.405 -13.850 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -7.801 -8.096 -15.204 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.292 -7.653 -14.340 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -8.039 -6.425 -14.638 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -4.527 -6.231 -13.681 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.019 -6.098 -14.641 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.991 -5.526 -12.956 1.00 0.00 H new ATOM 1569 N SER A 110 -10.474 -6.936 -12.582 1.00 0.00 N ATOM 1570 CA SER A 110 -11.891 -7.257 -12.460 1.00 0.00 C ATOM 1571 C SER A 110 -12.406 -7.936 -13.725 1.00 0.00 C ATOM 1572 O SER A 110 -11.640 -8.220 -14.645 1.00 0.00 O ATOM 1573 CB SER A 110 -12.699 -5.990 -12.183 1.00 0.00 C ATOM 1574 OG SER A 110 -12.041 -4.842 -12.694 1.00 0.00 O ATOM 0 H SER A 110 -10.241 -6.357 -13.389 1.00 0.00 H new ATOM 0 HA SER A 110 -12.011 -7.947 -11.625 1.00 0.00 H new ATOM 0 HB2 SER A 110 -13.686 -6.079 -12.636 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.850 -5.879 -11.109 1.00 0.00 H new ATOM 0 HG SER A 110 -12.579 -4.045 -12.505 1.00 0.00 H new TER 1580 SER A 110