USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= -0.496 USER MOD Set 2.2: A 85 MET CE :methyl 145:sc= -3.18! (180deg=-4.45!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -148:sc= -0.181 (180deg=-0.829) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 173:sc= 0 (180deg=-0.0385) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 175:sc= -2.56 (180deg=-2.7) USER MOD Single : A 31 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.13) USER MOD Single : A 32 ASN : amide:sc= -0.392 K(o=-0.39,f=-1.5) USER MOD Single : A 44 ASN : amide:sc= 0.00408 X(o=0.0041,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= -0.794 (180deg=-1.14) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 51 TYR OH : rot 180:sc= -1.14 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 60 MET CE :methyl 177:sc= -0.133 (180deg=-0.187) USER MOD Single : A 62 ASN :FLIP amide:sc= -2.95 F(o=-5!,f=-2.9) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 76:sc= 0.628 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 91 LYS NZ :NH3+ 159:sc= -0.0149 (180deg=-0.163) USER MOD Single : A 92 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0567) USER MOD Single : A 94 ASN : amide:sc= -0.065 K(o=-0.065,f=-1.7!) USER MOD Single : A 100 GLN : amide:sc= -0.0982 X(o=-0.098,f=-0.098) USER MOD Single : A 104 SER OG : rot -66:sc= -2.47! USER MOD Single : A 106 TYR OH : rot 180:sc= -2.06! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.117) USER MOD Single : A 121 ASN : amide:sc= -1.95! C(o=-2!,f=-11!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 154:sc= -0.179 (180deg=-1.51!) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.827 0.082 8.621 1.00 0.00 N ATOM 2 CA ALA A 2 -13.741 0.813 9.342 1.00 0.00 C ATOM 3 C ALA A 2 -13.939 2.320 9.164 1.00 0.00 C ATOM 4 O ALA A 2 -14.457 2.994 10.034 1.00 0.00 O ATOM 5 CB ALA A 2 -12.373 0.401 8.782 1.00 0.00 C ATOM 0 HA ALA A 2 -13.780 0.563 10.402 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.586 0.938 9.312 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.234 -0.672 8.915 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.326 0.644 7.720 1.00 0.00 H new ATOM 11 N ASP A 3 -13.534 2.852 8.044 1.00 0.00 N ATOM 12 CA ASP A 3 -13.699 4.314 7.801 1.00 0.00 C ATOM 13 C ASP A 3 -14.056 4.534 6.331 1.00 0.00 C ATOM 14 O ASP A 3 -13.465 3.948 5.448 1.00 0.00 O ATOM 15 CB ASP A 3 -12.392 5.038 8.124 1.00 0.00 C ATOM 16 CG ASP A 3 -12.685 6.247 9.013 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.392 6.079 9.993 1.00 0.00 O ATOM 18 OD2 ASP A 3 -12.198 7.321 8.700 1.00 0.00 O ATOM 0 H ASP A 3 -13.094 2.335 7.283 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.492 4.707 8.437 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.704 4.360 8.629 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.905 5.360 7.203 1.00 0.00 H new ATOM 23 N LYS A 4 -15.019 5.366 6.059 1.00 0.00 N ATOM 24 CA LYS A 4 -15.406 5.606 4.641 1.00 0.00 C ATOM 25 C LYS A 4 -14.587 6.767 4.076 1.00 0.00 C ATOM 26 O LYS A 4 -14.970 7.394 3.108 1.00 0.00 O ATOM 27 CB LYS A 4 -16.893 5.952 4.566 1.00 0.00 C ATOM 28 CG LYS A 4 -17.697 4.943 5.388 1.00 0.00 C ATOM 29 CD LYS A 4 -18.851 4.396 4.543 1.00 0.00 C ATOM 30 CE LYS A 4 -19.752 5.549 4.099 1.00 0.00 C ATOM 31 NZ LYS A 4 -21.179 5.128 4.189 1.00 0.00 N ATOM 0 H LYS A 4 -15.554 5.889 6.753 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.212 4.705 4.058 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.061 6.960 4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.228 5.940 3.529 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.052 4.127 5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.086 5.419 6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.460 3.870 3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.427 3.672 5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.579 6.422 4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.511 5.840 3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.792 5.912 3.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.338 4.306 3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.404 4.871 5.171 1.00 0.00 H new ATOM 45 N GLU A 5 -13.463 7.062 4.667 1.00 0.00 N ATOM 46 CA GLU A 5 -12.630 8.184 4.153 1.00 0.00 C ATOM 47 C GLU A 5 -11.192 8.037 4.651 1.00 0.00 C ATOM 48 O GLU A 5 -10.569 8.996 5.063 1.00 0.00 O ATOM 49 CB GLU A 5 -13.204 9.515 4.647 1.00 0.00 C ATOM 50 CG GLU A 5 -12.730 10.645 3.732 1.00 0.00 C ATOM 51 CD GLU A 5 -13.130 11.993 4.333 1.00 0.00 C ATOM 52 OE1 GLU A 5 -13.196 12.081 5.548 1.00 0.00 O ATOM 53 OE2 GLU A 5 -13.363 12.916 3.569 1.00 0.00 O ATOM 0 H GLU A 5 -13.086 6.576 5.481 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.637 8.163 3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.293 9.473 4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.884 9.704 5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.648 10.597 3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.169 10.533 2.741 1.00 0.00 H new ATOM 60 N LEU A 6 -10.648 6.850 4.602 1.00 0.00 N ATOM 61 CA LEU A 6 -9.254 6.662 5.054 1.00 0.00 C ATOM 62 C LEU A 6 -8.338 7.013 3.880 1.00 0.00 C ATOM 63 O LEU A 6 -8.512 6.521 2.785 1.00 0.00 O ATOM 64 CB LEU A 6 -9.076 5.207 5.500 1.00 0.00 C ATOM 65 CG LEU A 6 -7.708 4.994 6.152 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.576 5.855 7.407 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.578 3.527 6.544 1.00 0.00 C ATOM 0 H LEU A 6 -11.115 6.007 4.267 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.007 7.303 5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.864 4.940 6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.180 4.545 4.641 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.927 5.275 5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.598 5.692 7.859 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.682 6.906 7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.355 5.582 8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.607 3.360 7.010 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.368 3.267 7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.665 2.904 5.654 1.00 0.00 H new ATOM 79 N LYS A 7 -7.408 7.905 4.079 1.00 0.00 N ATOM 80 CA LYS A 7 -6.529 8.338 2.952 1.00 0.00 C ATOM 81 C LYS A 7 -5.482 7.277 2.595 1.00 0.00 C ATOM 82 O LYS A 7 -4.676 6.874 3.421 1.00 0.00 O ATOM 83 CB LYS A 7 -5.816 9.632 3.347 1.00 0.00 C ATOM 84 CG LYS A 7 -6.605 10.838 2.832 1.00 0.00 C ATOM 85 CD LYS A 7 -5.893 12.129 3.244 1.00 0.00 C ATOM 86 CE LYS A 7 -5.864 13.097 2.060 1.00 0.00 C ATOM 87 NZ LYS A 7 -5.054 12.509 0.956 1.00 0.00 N ATOM 0 H LYS A 7 -7.217 8.355 4.974 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.159 8.491 2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.717 9.687 4.431 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.807 9.643 2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.695 10.790 1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.617 10.823 3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.408 12.587 4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.877 11.908 3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.878 13.296 1.715 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.439 14.052 2.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.582 13.271 0.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.338 11.868 1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.676 11.977 0.314 1.00 0.00 H new ATOM 101 N PHE A 8 -5.476 6.852 1.350 1.00 0.00 N ATOM 102 CA PHE A 8 -4.480 5.852 0.889 1.00 0.00 C ATOM 103 C PHE A 8 -3.567 6.498 -0.148 1.00 0.00 C ATOM 104 O PHE A 8 -4.020 7.233 -1.002 1.00 0.00 O ATOM 105 CB PHE A 8 -5.176 4.687 0.168 1.00 0.00 C ATOM 106 CG PHE A 8 -6.106 3.926 1.077 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.370 4.438 1.372 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.708 2.697 1.609 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.236 3.723 2.206 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.570 1.979 2.447 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.836 2.493 2.745 1.00 0.00 C ATOM 0 H PHE A 8 -6.130 7.165 0.633 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.933 5.499 1.763 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.738 5.073 -0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.423 4.007 -0.230 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.680 5.386 0.957 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.732 2.299 1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.214 4.120 2.435 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.258 1.032 2.862 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.505 1.942 3.390 1.00 0.00 H new ATOM 121 N LEU A 9 -2.298 6.192 -0.113 1.00 0.00 N ATOM 122 CA LEU A 9 -1.373 6.749 -1.147 1.00 0.00 C ATOM 123 C LEU A 9 -1.012 5.626 -2.126 1.00 0.00 C ATOM 124 O LEU A 9 -0.401 4.647 -1.747 1.00 0.00 O ATOM 125 CB LEU A 9 -0.092 7.279 -0.500 1.00 0.00 C ATOM 126 CG LEU A 9 0.846 7.830 -1.583 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.163 8.980 -2.326 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.115 8.347 -0.923 1.00 0.00 C ATOM 0 H LEU A 9 -1.862 5.585 0.581 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.866 7.573 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.333 8.062 0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.404 6.481 0.053 1.00 0.00 H new ATOM 0 HG LEU A 9 1.087 7.037 -2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.834 9.367 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.753 8.618 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.079 9.776 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.787 8.740 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.862 9.139 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.607 7.532 -0.391 1.00 0.00 H new ATOM 140 N VAL A 10 -1.377 5.756 -3.377 1.00 0.00 N ATOM 141 CA VAL A 10 -1.042 4.685 -4.364 1.00 0.00 C ATOM 142 C VAL A 10 0.195 5.098 -5.166 1.00 0.00 C ATOM 143 O VAL A 10 0.117 5.916 -6.063 1.00 0.00 O ATOM 144 CB VAL A 10 -2.223 4.478 -5.317 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.441 2.986 -5.556 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.483 5.077 -4.697 1.00 0.00 C ATOM 0 H VAL A 10 -1.889 6.553 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.837 3.755 -3.833 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.008 4.968 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.282 2.845 -6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.543 2.553 -5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.654 2.493 -4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.326 4.931 -5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.690 4.585 -3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.334 6.143 -4.528 1.00 0.00 H new ATOM 156 N VAL A 11 1.339 4.543 -4.850 1.00 0.00 N ATOM 157 CA VAL A 11 2.571 4.911 -5.595 1.00 0.00 C ATOM 158 C VAL A 11 2.812 3.902 -6.722 1.00 0.00 C ATOM 159 O VAL A 11 3.808 3.204 -6.733 1.00 0.00 O ATOM 160 CB VAL A 11 3.778 4.916 -4.653 1.00 0.00 C ATOM 161 CG1 VAL A 11 5.010 5.445 -5.396 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.486 5.821 -3.454 1.00 0.00 C ATOM 0 H VAL A 11 1.468 3.853 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 11 2.442 5.908 -6.016 1.00 0.00 H new ATOM 0 HB VAL A 11 3.969 3.900 -4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.867 5.447 -4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.222 4.804 -6.252 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.818 6.460 -5.742 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.345 5.825 -2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.293 6.836 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.611 5.448 -2.921 1.00 0.00 H new ATOM 172 N ASP A 12 1.910 3.821 -7.666 1.00 0.00 N ATOM 173 CA ASP A 12 2.082 2.857 -8.793 1.00 0.00 C ATOM 174 C ASP A 12 2.536 3.609 -10.046 1.00 0.00 C ATOM 175 O ASP A 12 1.978 4.626 -10.409 1.00 0.00 O ATOM 176 CB ASP A 12 0.748 2.162 -9.075 1.00 0.00 C ATOM 177 CG ASP A 12 0.244 1.490 -7.797 1.00 0.00 C ATOM 178 OD1 ASP A 12 0.927 1.587 -6.791 1.00 0.00 O ATOM 179 OD2 ASP A 12 -0.816 0.888 -7.847 1.00 0.00 O ATOM 0 H ASP A 12 1.059 4.383 -7.705 1.00 0.00 H new ATOM 0 HA ASP A 12 2.833 2.114 -8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.016 2.887 -9.431 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.872 1.420 -9.864 1.00 0.00 H new ATOM 184 N ASP A 13 3.544 3.116 -10.715 1.00 0.00 N ATOM 185 CA ASP A 13 4.030 3.802 -11.945 1.00 0.00 C ATOM 186 C ASP A 13 3.151 3.397 -13.131 1.00 0.00 C ATOM 187 O ASP A 13 3.087 4.083 -14.132 1.00 0.00 O ATOM 188 CB ASP A 13 5.479 3.393 -12.221 1.00 0.00 C ATOM 189 CG ASP A 13 5.602 1.870 -12.155 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.338 1.229 -13.159 1.00 0.00 O ATOM 191 OD2 ASP A 13 5.959 1.370 -11.101 1.00 0.00 O ATOM 0 H ASP A 13 4.051 2.268 -10.462 1.00 0.00 H new ATOM 0 HA ASP A 13 3.980 4.882 -11.804 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.788 3.751 -13.203 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.143 3.854 -11.490 1.00 0.00 H new ATOM 196 N PHE A 14 2.472 2.288 -13.024 1.00 0.00 N ATOM 197 CA PHE A 14 1.597 1.838 -14.142 1.00 0.00 C ATOM 198 C PHE A 14 0.562 2.922 -14.449 1.00 0.00 C ATOM 199 O PHE A 14 0.112 3.632 -13.571 1.00 0.00 O ATOM 200 CB PHE A 14 0.878 0.548 -13.738 1.00 0.00 C ATOM 201 CG PHE A 14 1.702 -0.641 -14.169 1.00 0.00 C ATOM 202 CD1 PHE A 14 1.672 -1.068 -15.503 1.00 0.00 C ATOM 203 CD2 PHE A 14 2.496 -1.319 -13.236 1.00 0.00 C ATOM 204 CE1 PHE A 14 2.436 -2.171 -15.902 1.00 0.00 C ATOM 205 CE2 PHE A 14 3.260 -2.421 -13.635 1.00 0.00 C ATOM 206 CZ PHE A 14 3.230 -2.848 -14.969 1.00 0.00 C ATOM 0 H PHE A 14 2.486 1.674 -12.210 1.00 0.00 H new ATOM 0 HA PHE A 14 2.205 1.655 -15.028 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.725 0.526 -12.659 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.108 0.508 -14.201 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.060 -0.546 -16.223 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.519 -0.991 -12.207 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.413 -2.500 -16.930 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.873 -2.943 -12.915 1.00 0.00 H new ATOM 0 HZ PHE A 14 3.819 -3.699 -15.277 1.00 0.00 H new ATOM 216 N SER A 15 0.181 3.057 -15.690 1.00 0.00 N ATOM 217 CA SER A 15 -0.824 4.096 -16.053 1.00 0.00 C ATOM 218 C SER A 15 -2.230 3.498 -15.969 1.00 0.00 C ATOM 219 O SER A 15 -3.130 3.901 -16.680 1.00 0.00 O ATOM 220 CB SER A 15 -0.561 4.584 -17.478 1.00 0.00 C ATOM 221 OG SER A 15 0.524 5.502 -17.467 1.00 0.00 O ATOM 0 H SER A 15 0.522 2.493 -16.468 1.00 0.00 H new ATOM 0 HA SER A 15 -0.745 4.935 -15.362 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.331 3.739 -18.127 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.453 5.063 -17.881 1.00 0.00 H new ATOM 0 HG SER A 15 0.696 5.816 -18.379 1.00 0.00 H new ATOM 227 N THR A 16 -2.428 2.538 -15.106 1.00 0.00 N ATOM 228 CA THR A 16 -3.776 1.917 -14.979 1.00 0.00 C ATOM 229 C THR A 16 -3.923 1.296 -13.589 1.00 0.00 C ATOM 230 O THR A 16 -4.975 1.350 -12.982 1.00 0.00 O ATOM 231 CB THR A 16 -3.938 0.829 -16.043 1.00 0.00 C ATOM 232 OG1 THR A 16 -4.918 -0.107 -15.614 1.00 0.00 O ATOM 233 CG2 THR A 16 -2.603 0.113 -16.251 1.00 0.00 C ATOM 0 H THR A 16 -1.714 2.158 -14.484 1.00 0.00 H new ATOM 0 HA THR A 16 -4.542 2.680 -15.119 1.00 0.00 H new ATOM 0 HB THR A 16 -4.254 1.283 -16.982 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.025 -0.804 -16.295 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.720 -0.662 -17.009 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.852 0.832 -16.579 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.284 -0.342 -15.313 1.00 0.00 H new ATOM 241 N MET A 17 -2.878 0.705 -13.081 1.00 0.00 N ATOM 242 CA MET A 17 -2.956 0.079 -11.731 1.00 0.00 C ATOM 243 C MET A 17 -3.591 1.062 -10.743 1.00 0.00 C ATOM 244 O MET A 17 -4.453 0.708 -9.967 1.00 0.00 O ATOM 245 CB MET A 17 -1.546 -0.281 -11.257 1.00 0.00 C ATOM 246 CG MET A 17 -1.636 -1.109 -9.974 1.00 0.00 C ATOM 247 SD MET A 17 0.031 -1.553 -9.426 1.00 0.00 S ATOM 248 CE MET A 17 -0.455 -2.457 -7.935 1.00 0.00 C ATOM 0 H MET A 17 -1.972 0.628 -13.543 1.00 0.00 H new ATOM 0 HA MET A 17 -3.566 -0.823 -11.784 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.023 -0.844 -12.030 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.968 0.626 -11.078 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.147 -0.541 -9.197 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.225 -2.009 -10.150 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.422 -2.933 -7.496 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.890 -1.764 -7.215 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.190 -3.219 -8.195 1.00 0.00 H new ATOM 258 N ARG A 18 -3.168 2.294 -10.765 1.00 0.00 N ATOM 259 CA ARG A 18 -3.744 3.299 -9.825 1.00 0.00 C ATOM 260 C ARG A 18 -5.269 3.257 -9.880 1.00 0.00 C ATOM 261 O ARG A 18 -5.934 3.087 -8.878 1.00 0.00 O ATOM 262 CB ARG A 18 -3.289 4.704 -10.222 1.00 0.00 C ATOM 263 CG ARG A 18 -2.279 4.626 -11.372 1.00 0.00 C ATOM 264 CD ARG A 18 -1.863 6.039 -11.778 1.00 0.00 C ATOM 265 NE ARG A 18 -0.393 6.197 -11.601 1.00 0.00 N ATOM 266 CZ ARG A 18 0.132 7.391 -11.568 1.00 0.00 C ATOM 267 NH1 ARG A 18 -0.332 8.330 -12.348 1.00 0.00 N ATOM 268 NH2 ARG A 18 1.119 7.647 -10.756 1.00 0.00 N ATOM 0 H ARG A 18 -2.448 2.651 -11.393 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.401 3.062 -8.818 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.149 5.302 -10.523 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.838 5.204 -9.365 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.405 4.052 -11.065 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.719 4.106 -12.223 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.137 6.225 -12.817 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.394 6.773 -11.172 1.00 0.00 H new ATOM 0 HE ARG A 18 0.202 5.374 -11.506 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.105 8.130 -12.983 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.078 9.263 -12.322 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.481 6.914 -10.146 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.529 8.580 -10.730 1.00 0.00 H new ATOM 282 N ARG A 19 -5.830 3.440 -11.040 1.00 0.00 N ATOM 283 CA ARG A 19 -7.311 3.438 -11.154 1.00 0.00 C ATOM 284 C ARG A 19 -7.880 2.127 -10.605 1.00 0.00 C ATOM 285 O ARG A 19 -8.886 2.116 -9.924 1.00 0.00 O ATOM 286 CB ARG A 19 -7.711 3.592 -12.623 1.00 0.00 C ATOM 287 CG ARG A 19 -7.110 4.881 -13.188 1.00 0.00 C ATOM 288 CD ARG A 19 -8.179 5.640 -13.976 1.00 0.00 C ATOM 289 NE ARG A 19 -7.534 6.717 -14.780 1.00 0.00 N ATOM 290 CZ ARG A 19 -8.227 7.371 -15.671 1.00 0.00 C ATOM 291 NH1 ARG A 19 -8.959 8.390 -15.309 1.00 0.00 N ATOM 292 NH2 ARG A 19 -8.188 7.009 -16.924 1.00 0.00 N ATOM 0 H ARG A 19 -5.326 3.591 -11.914 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.712 4.270 -10.575 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.361 2.734 -13.197 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.797 3.615 -12.714 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.730 5.503 -12.378 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.264 4.648 -13.834 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.717 4.955 -14.631 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.912 6.070 -13.294 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.550 6.943 -14.633 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.989 8.674 -14.330 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.501 8.902 -16.005 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.615 6.214 -17.208 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.730 7.521 -17.620 1.00 0.00 H new ATOM 306 N ILE A 20 -7.252 1.024 -10.900 1.00 0.00 N ATOM 307 CA ILE A 20 -7.768 -0.281 -10.399 1.00 0.00 C ATOM 308 C ILE A 20 -7.923 -0.226 -8.876 1.00 0.00 C ATOM 309 O ILE A 20 -8.972 -0.524 -8.343 1.00 0.00 O ATOM 310 CB ILE A 20 -6.790 -1.399 -10.785 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.179 -1.961 -12.154 1.00 0.00 C ATOM 312 CG2 ILE A 20 -6.835 -2.527 -9.747 1.00 0.00 C ATOM 313 CD1 ILE A 20 -6.029 -2.806 -12.704 1.00 0.00 C ATOM 0 H ILE A 20 -6.405 0.969 -11.465 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.741 -0.483 -10.847 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.781 -0.989 -10.822 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.081 -2.567 -12.067 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.407 -1.147 -12.842 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.136 -3.313 -10.033 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.557 -2.133 -8.769 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -7.844 -2.938 -9.699 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.306 -3.207 -13.679 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.138 -2.186 -12.806 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.822 -3.629 -12.019 1.00 0.00 H new ATOM 325 N VAL A 21 -6.886 0.132 -8.172 1.00 0.00 N ATOM 326 CA VAL A 21 -6.980 0.177 -6.684 1.00 0.00 C ATOM 327 C VAL A 21 -7.890 1.326 -6.241 1.00 0.00 C ATOM 328 O VAL A 21 -8.730 1.159 -5.379 1.00 0.00 O ATOM 329 CB VAL A 21 -5.587 0.353 -6.075 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.245 -0.885 -5.251 1.00 0.00 C ATOM 331 CG2 VAL A 21 -4.544 0.515 -7.184 1.00 0.00 C ATOM 0 H VAL A 21 -5.980 0.395 -8.560 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.407 -0.763 -6.335 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.582 1.242 -5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.254 -0.768 -4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.981 -1.008 -4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.256 -1.765 -5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.557 0.640 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.547 -0.371 -7.819 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.785 1.392 -7.785 1.00 0.00 H new ATOM 341 N ARG A 22 -7.741 2.488 -6.814 1.00 0.00 N ATOM 342 CA ARG A 22 -8.612 3.628 -6.408 1.00 0.00 C ATOM 343 C ARG A 22 -10.069 3.167 -6.409 1.00 0.00 C ATOM 344 O ARG A 22 -10.783 3.311 -5.437 1.00 0.00 O ATOM 345 CB ARG A 22 -8.451 4.769 -7.408 1.00 0.00 C ATOM 346 CG ARG A 22 -7.666 5.913 -6.763 1.00 0.00 C ATOM 347 CD ARG A 22 -7.256 6.918 -7.841 1.00 0.00 C ATOM 348 NE ARG A 22 -6.615 8.100 -7.200 1.00 0.00 N ATOM 349 CZ ARG A 22 -7.246 9.241 -7.159 1.00 0.00 C ATOM 350 NH1 ARG A 22 -8.230 9.412 -6.319 1.00 0.00 N ATOM 351 NH2 ARG A 22 -6.893 10.211 -7.957 1.00 0.00 N ATOM 0 H ARG A 22 -7.058 2.698 -7.542 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.329 3.970 -5.412 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.931 4.415 -8.298 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.430 5.123 -7.731 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.275 6.405 -6.005 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.782 5.523 -6.258 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.565 6.452 -8.543 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.130 7.230 -8.413 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.683 8.017 -6.793 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.505 8.654 -5.695 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.724 10.304 -6.287 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.124 10.077 -8.613 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.387 11.103 -7.925 1.00 0.00 H new ATOM 365 N ASN A 23 -10.502 2.605 -7.498 1.00 0.00 N ATOM 366 CA ASN A 23 -11.891 2.115 -7.601 1.00 0.00 C ATOM 367 C ASN A 23 -12.110 1.023 -6.566 1.00 0.00 C ATOM 368 O ASN A 23 -12.993 1.093 -5.738 1.00 0.00 O ATOM 369 CB ASN A 23 -12.046 1.510 -8.980 1.00 0.00 C ATOM 370 CG ASN A 23 -13.365 1.960 -9.609 1.00 0.00 C ATOM 371 OD1 ASN A 23 -13.397 2.906 -10.372 1.00 0.00 O ATOM 372 ND2 ASN A 23 -14.462 1.317 -9.321 1.00 0.00 N ATOM 0 H ASN A 23 -9.937 2.464 -8.335 1.00 0.00 H new ATOM 0 HA ASN A 23 -12.604 2.923 -7.436 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.211 1.811 -9.613 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.019 0.422 -8.913 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.347 1.608 -9.736 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.435 0.523 -8.681 1.00 0.00 H new ATOM 379 N LEU A 24 -11.298 0.012 -6.637 1.00 0.00 N ATOM 380 CA LEU A 24 -11.403 -1.133 -5.687 1.00 0.00 C ATOM 381 C LEU A 24 -11.728 -0.621 -4.281 1.00 0.00 C ATOM 382 O LEU A 24 -12.741 -0.966 -3.705 1.00 0.00 O ATOM 383 CB LEU A 24 -10.060 -1.864 -5.672 1.00 0.00 C ATOM 384 CG LEU A 24 -10.191 -3.239 -4.986 1.00 0.00 C ATOM 385 CD1 LEU A 24 -9.851 -4.340 -5.994 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.237 -3.362 -3.782 1.00 0.00 C ATOM 0 H LEU A 24 -10.550 -0.075 -7.325 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.199 -1.808 -6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.701 -1.995 -6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.319 -1.261 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.216 -3.342 -4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.942 -5.314 -5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.539 -4.286 -6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.829 -4.205 -6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.356 -4.343 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.208 -3.242 -4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.472 -2.588 -3.051 1.00 0.00 H new ATOM 398 N LEU A 25 -10.885 0.204 -3.722 1.00 0.00 N ATOM 399 CA LEU A 25 -11.165 0.735 -2.360 1.00 0.00 C ATOM 400 C LEU A 25 -12.493 1.489 -2.385 1.00 0.00 C ATOM 401 O LEU A 25 -13.343 1.302 -1.537 1.00 0.00 O ATOM 402 CB LEU A 25 -10.044 1.690 -1.933 1.00 0.00 C ATOM 403 CG LEU A 25 -8.846 0.885 -1.428 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.559 1.669 -1.686 1.00 0.00 C ATOM 405 CD2 LEU A 25 -8.994 0.636 0.076 1.00 0.00 C ATOM 0 H LEU A 25 -10.018 0.532 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.219 -0.091 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.746 2.315 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.401 2.359 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.804 -0.069 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.705 1.095 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.451 1.849 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.603 2.623 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.140 0.062 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.036 1.591 0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.911 0.078 0.264 1.00 0.00 H new ATOM 417 N LYS A 26 -12.680 2.340 -3.355 1.00 0.00 N ATOM 418 CA LYS A 26 -13.948 3.101 -3.437 1.00 0.00 C ATOM 419 C LYS A 26 -15.127 2.127 -3.403 1.00 0.00 C ATOM 420 O LYS A 26 -16.178 2.430 -2.874 1.00 0.00 O ATOM 421 CB LYS A 26 -13.979 3.904 -4.741 1.00 0.00 C ATOM 422 CG LYS A 26 -15.248 4.758 -4.788 1.00 0.00 C ATOM 423 CD LYS A 26 -15.060 5.895 -5.795 1.00 0.00 C ATOM 424 CE LYS A 26 -14.778 5.310 -7.181 1.00 0.00 C ATOM 425 NZ LYS A 26 -13.306 5.228 -7.396 1.00 0.00 N ATOM 0 H LYS A 26 -12.005 2.539 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.019 3.785 -2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.097 4.541 -4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -13.951 3.229 -5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.102 4.144 -5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.462 5.165 -3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.954 6.518 -5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.235 6.537 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.224 4.319 -7.267 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.234 5.933 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.113 4.753 -8.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.904 6.187 -7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.872 4.686 -6.622 1.00 0.00 H new ATOM 439 N GLU A 27 -14.963 0.956 -3.960 1.00 0.00 N ATOM 440 CA GLU A 27 -16.074 -0.028 -3.952 1.00 0.00 C ATOM 441 C GLU A 27 -16.580 -0.202 -2.521 1.00 0.00 C ATOM 442 O GLU A 27 -17.751 -0.427 -2.288 1.00 0.00 O ATOM 443 CB GLU A 27 -15.579 -1.372 -4.490 1.00 0.00 C ATOM 444 CG GLU A 27 -16.639 -1.972 -5.417 1.00 0.00 C ATOM 445 CD GLU A 27 -17.962 -2.107 -4.661 1.00 0.00 C ATOM 446 OE1 GLU A 27 -18.151 -3.126 -4.019 1.00 0.00 O ATOM 447 OE2 GLU A 27 -18.762 -1.190 -4.739 1.00 0.00 O ATOM 0 H GLU A 27 -14.107 0.643 -4.418 1.00 0.00 H new ATOM 0 HA GLU A 27 -16.884 0.332 -4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.642 -1.237 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.375 -2.054 -3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.772 -1.338 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.312 -2.948 -5.777 1.00 0.00 H new ATOM 454 N LEU A 28 -15.705 -0.097 -1.559 1.00 0.00 N ATOM 455 CA LEU A 28 -16.137 -0.253 -0.142 1.00 0.00 C ATOM 456 C LEU A 28 -16.762 1.055 0.345 1.00 0.00 C ATOM 457 O LEU A 28 -17.948 1.129 0.600 1.00 0.00 O ATOM 458 CB LEU A 28 -14.927 -0.609 0.724 1.00 0.00 C ATOM 459 CG LEU A 28 -14.630 -2.105 0.592 1.00 0.00 C ATOM 460 CD1 LEU A 28 -14.398 -2.453 -0.879 1.00 0.00 C ATOM 461 CD2 LEU A 28 -13.376 -2.450 1.396 1.00 0.00 C ATOM 0 H LEU A 28 -14.711 0.090 -1.693 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.875 -1.052 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -14.060 -0.026 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.125 -0.357 1.766 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.477 -2.676 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.187 -3.518 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.290 -2.208 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.552 -1.881 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.165 -3.515 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.530 -1.877 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.537 -2.204 2.445 1.00 0.00 H new ATOM 473 N GLY A 29 -15.980 2.089 0.473 1.00 0.00 N ATOM 474 CA GLY A 29 -16.536 3.386 0.937 1.00 0.00 C ATOM 475 C GLY A 29 -15.420 4.408 1.204 1.00 0.00 C ATOM 476 O GLY A 29 -15.635 5.401 1.869 1.00 0.00 O ATOM 0 H GLY A 29 -14.979 2.091 0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.221 3.780 0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.116 3.231 1.847 1.00 0.00 H new ATOM 480 N PHE A 30 -14.238 4.190 0.692 1.00 0.00 N ATOM 481 CA PHE A 30 -13.138 5.170 0.928 1.00 0.00 C ATOM 482 C PHE A 30 -13.141 6.211 -0.196 1.00 0.00 C ATOM 483 O PHE A 30 -13.169 5.869 -1.362 1.00 0.00 O ATOM 484 CB PHE A 30 -11.794 4.432 0.942 1.00 0.00 C ATOM 485 CG PHE A 30 -11.829 3.317 1.965 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.591 3.586 3.318 1.00 0.00 C ATOM 487 CD2 PHE A 30 -12.096 2.009 1.554 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.620 2.547 4.257 1.00 0.00 C ATOM 489 CE2 PHE A 30 -12.124 0.970 2.492 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.886 1.238 3.843 1.00 0.00 C ATOM 0 H PHE A 30 -13.987 3.381 0.124 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.287 5.668 1.886 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.583 4.024 -0.046 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -10.989 5.128 1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.385 4.597 3.638 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.281 1.799 0.511 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.437 2.757 5.300 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.330 -0.040 2.171 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.907 0.436 4.566 1.00 0.00 H new ATOM 500 N ASN A 31 -13.125 7.478 0.147 1.00 0.00 N ATOM 501 CA ASN A 31 -13.140 8.546 -0.895 1.00 0.00 C ATOM 502 C ASN A 31 -12.018 9.560 -0.622 1.00 0.00 C ATOM 503 O ASN A 31 -12.262 10.695 -0.263 1.00 0.00 O ATOM 504 CB ASN A 31 -14.499 9.250 -0.855 1.00 0.00 C ATOM 505 CG ASN A 31 -15.450 8.589 -1.854 1.00 0.00 C ATOM 506 OD1 ASN A 31 -16.563 8.242 -1.513 1.00 0.00 O ATOM 507 ND2 ASN A 31 -15.056 8.398 -3.083 1.00 0.00 N ATOM 0 H ASN A 31 -13.102 7.816 1.109 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.979 8.105 -1.879 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.917 9.197 0.150 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.380 10.306 -1.096 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.682 7.958 -3.757 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.122 8.689 -3.370 1.00 0.00 H new ATOM 514 N ASN A 32 -10.787 9.155 -0.788 1.00 0.00 N ATOM 515 CA ASN A 32 -9.643 10.084 -0.547 1.00 0.00 C ATOM 516 C ASN A 32 -8.341 9.351 -0.881 1.00 0.00 C ATOM 517 O ASN A 32 -7.885 8.511 -0.131 1.00 0.00 O ATOM 518 CB ASN A 32 -9.624 10.517 0.922 1.00 0.00 C ATOM 519 CG ASN A 32 -9.381 12.025 1.005 1.00 0.00 C ATOM 520 OD1 ASN A 32 -8.587 12.566 0.260 1.00 0.00 O ATOM 521 ND2 ASN A 32 -10.037 12.731 1.885 1.00 0.00 N ATOM 0 H ASN A 32 -10.523 8.215 -1.082 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.748 10.969 -1.174 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.570 10.263 1.399 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.842 9.981 1.460 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.884 13.737 1.948 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.703 12.276 2.510 1.00 0.00 H new ATOM 528 N VAL A 33 -7.751 9.640 -2.011 1.00 0.00 N ATOM 529 CA VAL A 33 -6.498 8.927 -2.397 1.00 0.00 C ATOM 530 C VAL A 33 -5.609 9.831 -3.258 1.00 0.00 C ATOM 531 O VAL A 33 -6.098 10.640 -4.024 1.00 0.00 O ATOM 532 CB VAL A 33 -6.888 7.693 -3.215 1.00 0.00 C ATOM 533 CG1 VAL A 33 -5.637 6.991 -3.736 1.00 0.00 C ATOM 534 CG2 VAL A 33 -7.687 6.728 -2.340 1.00 0.00 C ATOM 0 H VAL A 33 -8.081 10.335 -2.680 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.947 8.647 -1.499 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.498 8.009 -4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.926 6.115 -4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.073 7.676 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.017 6.681 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.963 5.851 -2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.079 6.420 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.589 7.224 -1.981 1.00 0.00 H new ATOM 544 N GLU A 34 -4.306 9.676 -3.159 1.00 0.00 N ATOM 545 CA GLU A 34 -3.381 10.495 -3.995 1.00 0.00 C ATOM 546 C GLU A 34 -2.539 9.547 -4.843 1.00 0.00 C ATOM 547 O GLU A 34 -2.799 8.362 -4.891 1.00 0.00 O ATOM 548 CB GLU A 34 -2.480 11.350 -3.106 1.00 0.00 C ATOM 549 CG GLU A 34 -3.154 12.703 -2.863 1.00 0.00 C ATOM 550 CD GLU A 34 -3.109 13.542 -4.144 1.00 0.00 C ATOM 551 OE1 GLU A 34 -2.095 14.173 -4.382 1.00 0.00 O ATOM 552 OE2 GLU A 34 -4.094 13.539 -4.864 1.00 0.00 O ATOM 0 H GLU A 34 -3.848 9.014 -2.532 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.953 11.164 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.299 10.844 -2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.510 11.493 -3.581 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.188 12.554 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.650 13.231 -2.054 1.00 0.00 H new ATOM 559 N GLU A 35 -1.547 10.042 -5.523 1.00 0.00 N ATOM 560 CA GLU A 35 -0.732 9.134 -6.377 1.00 0.00 C ATOM 561 C GLU A 35 0.708 9.634 -6.482 1.00 0.00 C ATOM 562 O GLU A 35 0.983 10.816 -6.428 1.00 0.00 O ATOM 563 CB GLU A 35 -1.344 9.077 -7.779 1.00 0.00 C ATOM 564 CG GLU A 35 -2.749 8.474 -7.703 1.00 0.00 C ATOM 565 CD GLU A 35 -3.234 8.136 -9.114 1.00 0.00 C ATOM 566 OE1 GLU A 35 -2.789 8.788 -10.044 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.044 7.233 -9.238 1.00 0.00 O ATOM 0 H GLU A 35 -1.266 11.023 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.727 8.143 -5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.390 10.078 -8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.715 8.477 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.738 7.576 -7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.434 9.178 -7.230 1.00 0.00 H new ATOM 574 N ALA A 36 1.622 8.722 -6.651 1.00 0.00 N ATOM 575 CA ALA A 36 3.056 9.093 -6.786 1.00 0.00 C ATOM 576 C ALA A 36 3.727 8.044 -7.673 1.00 0.00 C ATOM 577 O ALA A 36 3.161 7.001 -7.931 1.00 0.00 O ATOM 578 CB ALA A 36 3.710 9.118 -5.404 1.00 0.00 C ATOM 0 H ALA A 36 1.433 7.721 -6.702 1.00 0.00 H new ATOM 0 HA ALA A 36 3.161 10.082 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.761 9.390 -5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.204 9.850 -4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.632 8.132 -4.947 1.00 0.00 H new ATOM 584 N GLU A 37 4.909 8.312 -8.166 1.00 0.00 N ATOM 585 CA GLU A 37 5.583 7.318 -9.059 1.00 0.00 C ATOM 586 C GLU A 37 7.056 7.168 -8.686 1.00 0.00 C ATOM 587 O GLU A 37 7.879 6.910 -9.538 1.00 0.00 O ATOM 588 CB GLU A 37 5.497 7.789 -10.515 1.00 0.00 C ATOM 589 CG GLU A 37 4.233 8.625 -10.724 1.00 0.00 C ATOM 590 CD GLU A 37 4.444 10.028 -10.153 1.00 0.00 C ATOM 591 OE1 GLU A 37 5.501 10.263 -9.590 1.00 0.00 O ATOM 592 OE2 GLU A 37 3.546 10.843 -10.287 1.00 0.00 O ATOM 0 H GLU A 37 5.434 9.169 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 37 5.080 6.359 -8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.378 8.379 -10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.488 6.928 -11.184 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.997 8.686 -11.786 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.384 8.147 -10.236 1.00 0.00 H new ATOM 599 N ASP A 38 7.398 7.303 -7.429 1.00 0.00 N ATOM 600 CA ASP A 38 8.832 7.147 -7.025 1.00 0.00 C ATOM 601 C ASP A 38 8.964 7.475 -5.541 1.00 0.00 C ATOM 602 O ASP A 38 8.279 8.333 -5.028 1.00 0.00 O ATOM 603 CB ASP A 38 9.734 8.103 -7.826 1.00 0.00 C ATOM 604 CG ASP A 38 11.111 8.191 -7.162 1.00 0.00 C ATOM 605 OD1 ASP A 38 11.499 7.229 -6.521 1.00 0.00 O ATOM 606 OD2 ASP A 38 11.757 9.212 -7.316 1.00 0.00 O ATOM 0 H ASP A 38 6.752 7.513 -6.668 1.00 0.00 H new ATOM 0 HA ASP A 38 9.143 6.121 -7.224 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.836 7.748 -8.852 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.279 9.092 -7.875 1.00 0.00 H new ATOM 611 N GLY A 39 9.838 6.808 -4.845 1.00 0.00 N ATOM 612 CA GLY A 39 10.000 7.105 -3.399 1.00 0.00 C ATOM 613 C GLY A 39 10.181 8.610 -3.211 1.00 0.00 C ATOM 614 O GLY A 39 9.799 9.168 -2.201 1.00 0.00 O ATOM 0 H GLY A 39 10.444 6.074 -5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.127 6.760 -2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.862 6.571 -3.000 1.00 0.00 H new ATOM 618 N VAL A 40 10.749 9.281 -4.179 1.00 0.00 N ATOM 619 CA VAL A 40 10.929 10.752 -4.047 1.00 0.00 C ATOM 620 C VAL A 40 9.569 11.426 -4.227 1.00 0.00 C ATOM 621 O VAL A 40 9.308 12.484 -3.690 1.00 0.00 O ATOM 622 CB VAL A 40 11.921 11.254 -5.108 1.00 0.00 C ATOM 623 CG1 VAL A 40 11.177 11.716 -6.368 1.00 0.00 C ATOM 624 CG2 VAL A 40 12.715 12.430 -4.537 1.00 0.00 C ATOM 0 H VAL A 40 11.093 8.875 -5.049 1.00 0.00 H new ATOM 0 HA VAL A 40 11.330 10.995 -3.063 1.00 0.00 H new ATOM 0 HB VAL A 40 12.592 10.438 -5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.897 12.068 -7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.610 10.882 -6.782 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.495 12.527 -6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.421 12.790 -5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.031 13.234 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.261 12.105 -3.651 1.00 0.00 H new ATOM 634 N ASP A 41 8.697 10.807 -4.978 1.00 0.00 N ATOM 635 CA ASP A 41 7.350 11.387 -5.195 1.00 0.00 C ATOM 636 C ASP A 41 6.469 11.044 -3.996 1.00 0.00 C ATOM 637 O ASP A 41 5.717 11.864 -3.508 1.00 0.00 O ATOM 638 CB ASP A 41 6.756 10.781 -6.463 1.00 0.00 C ATOM 639 CG ASP A 41 5.722 11.739 -7.058 1.00 0.00 C ATOM 640 OD1 ASP A 41 4.772 12.061 -6.364 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.900 12.136 -8.197 1.00 0.00 O ATOM 0 H ASP A 41 8.866 9.919 -5.451 1.00 0.00 H new ATOM 0 HA ASP A 41 7.412 12.470 -5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.546 10.587 -7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.289 9.823 -6.235 1.00 0.00 H new ATOM 646 N ALA A 42 6.562 9.834 -3.515 1.00 0.00 N ATOM 647 CA ALA A 42 5.740 9.433 -2.343 1.00 0.00 C ATOM 648 C ALA A 42 6.122 10.299 -1.144 1.00 0.00 C ATOM 649 O ALA A 42 5.285 10.686 -0.358 1.00 0.00 O ATOM 650 CB ALA A 42 6.005 7.966 -2.010 1.00 0.00 C ATOM 0 H ALA A 42 7.173 9.106 -3.885 1.00 0.00 H new ATOM 0 HA ALA A 42 4.683 9.567 -2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.402 7.673 -1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.742 7.345 -2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.061 7.831 -1.775 1.00 0.00 H new ATOM 656 N LEU A 43 7.381 10.607 -1.000 1.00 0.00 N ATOM 657 CA LEU A 43 7.815 11.449 0.150 1.00 0.00 C ATOM 658 C LEU A 43 7.324 12.884 -0.055 1.00 0.00 C ATOM 659 O LEU A 43 6.857 13.528 0.864 1.00 0.00 O ATOM 660 CB LEU A 43 9.343 11.437 0.242 1.00 0.00 C ATOM 661 CG LEU A 43 9.786 10.367 1.243 1.00 0.00 C ATOM 662 CD1 LEU A 43 11.238 9.975 0.964 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.672 10.918 2.666 1.00 0.00 C ATOM 0 H LEU A 43 8.128 10.312 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 43 7.394 11.051 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.775 11.235 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.707 12.416 0.555 1.00 0.00 H new ATOM 0 HG LEU A 43 9.147 9.490 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.553 9.213 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.320 9.580 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.877 10.852 1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.988 10.155 3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.310 11.796 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.637 11.196 2.867 1.00 0.00 H new ATOM 675 N ASN A 44 7.423 13.389 -1.254 1.00 0.00 N ATOM 676 CA ASN A 44 6.960 14.781 -1.518 1.00 0.00 C ATOM 677 C ASN A 44 5.451 14.871 -1.272 1.00 0.00 C ATOM 678 O ASN A 44 4.929 15.918 -0.946 1.00 0.00 O ATOM 679 CB ASN A 44 7.266 15.153 -2.970 1.00 0.00 C ATOM 680 CG ASN A 44 8.551 15.983 -3.026 1.00 0.00 C ATOM 681 OD1 ASN A 44 8.521 17.150 -3.362 1.00 0.00 O ATOM 682 ND2 ASN A 44 9.689 15.425 -2.711 1.00 0.00 N ATOM 0 H ASN A 44 7.805 12.898 -2.062 1.00 0.00 H new ATOM 0 HA ASN A 44 7.478 15.470 -0.851 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.377 14.251 -3.572 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.436 15.719 -3.394 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.551 15.969 -2.747 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.716 14.445 -2.429 1.00 0.00 H new ATOM 689 N LYS A 45 4.748 13.783 -1.426 1.00 0.00 N ATOM 690 CA LYS A 45 3.274 13.810 -1.202 1.00 0.00 C ATOM 691 C LYS A 45 2.970 13.489 0.261 1.00 0.00 C ATOM 692 O LYS A 45 2.284 14.232 0.933 1.00 0.00 O ATOM 693 CB LYS A 45 2.599 12.777 -2.106 1.00 0.00 C ATOM 694 CG LYS A 45 1.939 13.490 -3.287 1.00 0.00 C ATOM 695 CD LYS A 45 0.659 14.184 -2.816 1.00 0.00 C ATOM 696 CE LYS A 45 0.607 15.603 -3.387 1.00 0.00 C ATOM 697 NZ LYS A 45 1.602 16.456 -2.678 1.00 0.00 N ATOM 0 H LYS A 45 5.130 12.877 -1.697 1.00 0.00 H new ATOM 0 HA LYS A 45 2.891 14.803 -1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.334 12.057 -2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.853 12.216 -1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.626 14.221 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.707 12.773 -4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.214 13.618 -3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.631 14.218 -1.727 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.822 15.585 -4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.394 16.018 -3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.444 17.453 -2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.494 16.334 -1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.563 16.176 -2.961 1.00 0.00 H new ATOM 711 N LEU A 46 3.471 12.395 0.767 1.00 0.00 N ATOM 712 CA LEU A 46 3.194 12.059 2.190 1.00 0.00 C ATOM 713 C LEU A 46 3.658 13.219 3.064 1.00 0.00 C ATOM 714 O LEU A 46 3.220 13.369 4.188 1.00 0.00 O ATOM 715 CB LEU A 46 3.930 10.774 2.597 1.00 0.00 C ATOM 716 CG LEU A 46 2.969 9.563 2.579 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.606 8.392 1.835 1.00 0.00 C ATOM 718 CD2 LEU A 46 2.674 9.135 4.016 1.00 0.00 C ATOM 0 H LEU A 46 4.054 11.727 0.262 1.00 0.00 H new ATOM 0 HA LEU A 46 2.124 11.894 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.762 10.594 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.354 10.893 3.594 1.00 0.00 H new ATOM 0 HG LEU A 46 2.047 9.850 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.918 7.546 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.824 8.688 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.531 8.104 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.997 8.281 4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.604 8.856 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.210 9.962 4.554 1.00 0.00 H new ATOM 730 N GLN A 47 4.521 14.058 2.555 1.00 0.00 N ATOM 731 CA GLN A 47 4.972 15.218 3.368 1.00 0.00 C ATOM 732 C GLN A 47 3.723 15.910 3.903 1.00 0.00 C ATOM 733 O GLN A 47 3.728 16.516 4.956 1.00 0.00 O ATOM 734 CB GLN A 47 5.772 16.189 2.497 1.00 0.00 C ATOM 735 CG GLN A 47 6.852 16.862 3.348 1.00 0.00 C ATOM 736 CD GLN A 47 7.571 17.927 2.516 1.00 0.00 C ATOM 737 OE1 GLN A 47 7.153 18.241 1.419 1.00 0.00 O ATOM 738 NE2 GLN A 47 8.641 18.499 2.995 1.00 0.00 N ATOM 0 H GLN A 47 4.928 13.990 1.622 1.00 0.00 H new ATOM 0 HA GLN A 47 5.613 14.889 4.186 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.230 15.655 1.664 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.110 16.941 2.068 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.403 17.317 4.230 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.566 16.119 3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.992 18.235 3.916 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.127 19.210 2.449 1.00 0.00 H new ATOM 747 N ALA A 48 2.639 15.796 3.181 1.00 0.00 N ATOM 748 CA ALA A 48 1.370 16.410 3.632 1.00 0.00 C ATOM 749 C ALA A 48 1.152 16.035 5.096 1.00 0.00 C ATOM 750 O ALA A 48 1.330 16.850 5.980 1.00 0.00 O ATOM 751 CB ALA A 48 0.218 15.876 2.777 1.00 0.00 C ATOM 0 H ALA A 48 2.585 15.299 2.292 1.00 0.00 H new ATOM 0 HA ALA A 48 1.411 17.494 3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.719 16.326 3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.394 16.128 1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.157 14.793 2.884 1.00 0.00 H new ATOM 757 N GLY A 49 0.793 14.799 5.359 1.00 0.00 N ATOM 758 CA GLY A 49 0.592 14.364 6.777 1.00 0.00 C ATOM 759 C GLY A 49 -0.874 14.017 7.017 1.00 0.00 C ATOM 760 O GLY A 49 -1.573 14.692 7.749 1.00 0.00 O ATOM 0 H GLY A 49 0.632 14.077 4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.218 13.498 6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.902 15.158 7.456 1.00 0.00 H new ATOM 764 N GLY A 50 -1.343 12.964 6.415 1.00 0.00 N ATOM 765 CA GLY A 50 -2.761 12.564 6.612 1.00 0.00 C ATOM 766 C GLY A 50 -3.015 11.236 5.904 1.00 0.00 C ATOM 767 O GLY A 50 -4.129 10.925 5.542 1.00 0.00 O ATOM 0 H GLY A 50 -0.804 12.361 5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.979 12.469 7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.426 13.332 6.217 1.00 0.00 H new ATOM 771 N TYR A 51 -1.990 10.451 5.697 1.00 0.00 N ATOM 772 CA TYR A 51 -2.176 9.152 5.005 1.00 0.00 C ATOM 773 C TYR A 51 -2.358 8.043 6.027 1.00 0.00 C ATOM 774 O TYR A 51 -1.430 7.338 6.364 1.00 0.00 O ATOM 775 CB TYR A 51 -0.948 8.860 4.152 1.00 0.00 C ATOM 776 CG TYR A 51 -1.035 9.703 2.914 1.00 0.00 C ATOM 777 CD1 TYR A 51 -1.831 9.293 1.842 1.00 0.00 C ATOM 778 CD2 TYR A 51 -0.347 10.915 2.857 1.00 0.00 C ATOM 779 CE1 TYR A 51 -1.936 10.103 0.710 1.00 0.00 C ATOM 780 CE2 TYR A 51 -0.447 11.725 1.725 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.245 11.321 0.650 1.00 0.00 C ATOM 782 OH TYR A 51 -1.348 12.123 -0.466 1.00 0.00 O ATOM 0 H TYR A 51 -1.032 10.658 5.980 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.062 9.202 4.372 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.037 9.087 4.705 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.907 7.802 3.891 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.363 8.354 1.889 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.264 11.227 3.691 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.551 9.791 -0.121 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.090 12.661 1.679 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.806 12.930 -0.340 1.00 0.00 H new ATOM 792 N GLY A 52 -3.550 7.873 6.514 1.00 0.00 N ATOM 793 CA GLY A 52 -3.789 6.797 7.502 1.00 0.00 C ATOM 794 C GLY A 52 -3.499 5.455 6.844 1.00 0.00 C ATOM 795 O GLY A 52 -3.651 4.414 7.446 1.00 0.00 O ATOM 0 H GLY A 52 -4.367 8.433 6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.150 6.936 8.374 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.820 6.830 7.854 1.00 0.00 H new ATOM 799 N PHE A 53 -3.102 5.463 5.599 1.00 0.00 N ATOM 800 CA PHE A 53 -2.828 4.177 4.915 1.00 0.00 C ATOM 801 C PHE A 53 -1.992 4.427 3.654 1.00 0.00 C ATOM 802 O PHE A 53 -2.048 5.483 3.052 1.00 0.00 O ATOM 803 CB PHE A 53 -4.163 3.581 4.515 1.00 0.00 C ATOM 804 CG PHE A 53 -4.270 2.133 4.922 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.773 1.793 6.183 1.00 0.00 C ATOM 806 CD2 PHE A 53 -3.925 1.126 4.019 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.921 0.455 6.537 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.080 -0.212 4.369 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.579 -0.553 5.630 1.00 0.00 C ATOM 0 H PHE A 53 -2.958 6.300 5.034 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.279 3.504 5.574 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.969 4.150 4.978 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.291 3.666 3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.047 2.569 6.882 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.536 1.386 3.045 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.301 0.195 7.514 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.815 -0.988 3.666 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.700 -1.591 5.902 1.00 0.00 H new ATOM 819 N VAL A 54 -1.220 3.464 3.238 1.00 0.00 N ATOM 820 CA VAL A 54 -0.407 3.667 2.005 1.00 0.00 C ATOM 821 C VAL A 54 -0.210 2.330 1.289 1.00 0.00 C ATOM 822 O VAL A 54 0.196 1.345 1.878 1.00 0.00 O ATOM 823 CB VAL A 54 0.951 4.276 2.363 1.00 0.00 C ATOM 824 CG1 VAL A 54 1.801 4.405 1.096 1.00 0.00 C ATOM 825 CG2 VAL A 54 0.742 5.665 2.972 1.00 0.00 C ATOM 0 H VAL A 54 -1.116 2.556 3.690 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.934 4.353 1.341 1.00 0.00 H new ATOM 0 HB VAL A 54 1.459 3.633 3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.768 4.839 1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.949 3.419 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.291 5.049 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.708 6.100 3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.235 6.306 2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.133 5.580 3.872 1.00 0.00 H new ATOM 835 N ILE A 55 -0.507 2.303 0.016 1.00 0.00 N ATOM 836 CA ILE A 55 -0.355 1.052 -0.780 1.00 0.00 C ATOM 837 C ILE A 55 0.776 1.248 -1.797 1.00 0.00 C ATOM 838 O ILE A 55 0.796 2.219 -2.536 1.00 0.00 O ATOM 839 CB ILE A 55 -1.658 0.769 -1.531 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.781 1.627 -0.943 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.019 -0.711 -1.391 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.112 1.230 -1.584 1.00 0.00 C ATOM 0 H ILE A 55 -0.852 3.105 -0.511 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.124 0.217 -0.118 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.529 1.011 -2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.830 1.491 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.579 2.683 -1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.947 -0.911 -1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.219 -1.322 -1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.148 -0.956 -0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.913 1.840 -1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.059 1.389 -2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.314 0.178 -1.382 1.00 0.00 H new ATOM 854 N SER A 56 1.714 0.338 -1.840 1.00 0.00 N ATOM 855 CA SER A 56 2.845 0.461 -2.807 1.00 0.00 C ATOM 856 C SER A 56 3.045 -0.878 -3.519 1.00 0.00 C ATOM 857 O SER A 56 2.557 -1.901 -3.084 1.00 0.00 O ATOM 858 CB SER A 56 4.119 0.846 -2.056 1.00 0.00 C ATOM 859 OG SER A 56 4.522 -0.235 -1.228 1.00 0.00 O ATOM 0 H SER A 56 1.745 -0.489 -1.244 1.00 0.00 H new ATOM 0 HA SER A 56 2.619 1.232 -3.543 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.911 1.092 -2.763 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.943 1.736 -1.452 1.00 0.00 H new ATOM 0 HG SER A 56 5.340 0.009 -0.747 1.00 0.00 H new ATOM 865 N ASP A 57 3.745 -0.878 -4.621 1.00 0.00 N ATOM 866 CA ASP A 57 3.953 -2.151 -5.369 1.00 0.00 C ATOM 867 C ASP A 57 5.238 -2.846 -4.906 1.00 0.00 C ATOM 868 O ASP A 57 5.291 -3.434 -3.844 1.00 0.00 O ATOM 869 CB ASP A 57 4.056 -1.845 -6.864 1.00 0.00 C ATOM 870 CG ASP A 57 2.742 -1.232 -7.352 1.00 0.00 C ATOM 871 OD1 ASP A 57 1.899 -0.947 -6.518 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.602 -1.057 -8.551 1.00 0.00 O ATOM 0 H ASP A 57 4.181 -0.054 -5.035 1.00 0.00 H new ATOM 0 HA ASP A 57 3.108 -2.813 -5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.881 -1.157 -7.049 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.272 -2.758 -7.419 1.00 0.00 H new ATOM 877 N TRP A 58 6.264 -2.804 -5.712 1.00 0.00 N ATOM 878 CA TRP A 58 7.542 -3.482 -5.347 1.00 0.00 C ATOM 879 C TRP A 58 8.655 -2.948 -6.248 1.00 0.00 C ATOM 880 O TRP A 58 9.740 -2.640 -5.797 1.00 0.00 O ATOM 881 CB TRP A 58 7.364 -4.988 -5.570 1.00 0.00 C ATOM 882 CG TRP A 58 8.477 -5.766 -4.939 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.661 -6.048 -5.528 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.517 -6.390 -3.621 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.426 -6.805 -4.658 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.765 -7.041 -3.468 1.00 0.00 C ATOM 887 CE3 TRP A 58 7.604 -6.452 -2.555 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.093 -7.733 -2.299 1.00 0.00 C ATOM 889 CZ3 TRP A 58 7.930 -7.145 -1.376 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.171 -7.785 -1.248 1.00 0.00 C ATOM 0 H TRP A 58 6.272 -2.326 -6.613 1.00 0.00 H new ATOM 0 HA TRP A 58 7.802 -3.292 -4.306 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.410 -5.310 -5.152 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.331 -5.198 -6.639 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.961 -5.734 -6.517 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.363 -7.147 -4.870 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.645 -5.964 -2.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.051 -8.224 -2.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.220 -7.185 -0.563 1.00 0.00 H new ATOM 0 HH2 TRP A 58 9.415 -8.317 -0.340 1.00 0.00 H new ATOM 901 N ASN A 59 8.383 -2.821 -7.519 1.00 0.00 N ATOM 902 CA ASN A 59 9.411 -2.288 -8.456 1.00 0.00 C ATOM 903 C ASN A 59 9.174 -0.787 -8.633 1.00 0.00 C ATOM 904 O ASN A 59 8.049 -0.345 -8.760 1.00 0.00 O ATOM 905 CB ASN A 59 9.287 -2.993 -9.810 1.00 0.00 C ATOM 906 CG ASN A 59 10.679 -3.181 -10.416 1.00 0.00 C ATOM 907 OD1 ASN A 59 11.503 -2.289 -10.362 1.00 0.00 O ATOM 908 ND2 ASN A 59 10.978 -4.312 -10.993 1.00 0.00 N ATOM 0 H ASN A 59 7.491 -3.064 -7.949 1.00 0.00 H new ATOM 0 HA ASN A 59 10.410 -2.464 -8.056 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.799 -3.960 -9.685 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.662 -2.405 -10.482 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.904 -4.448 -11.399 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.286 -5.060 -11.038 1.00 0.00 H new ATOM 915 N MET A 60 10.220 -0.003 -8.626 1.00 0.00 N ATOM 916 CA MET A 60 10.054 1.473 -8.776 1.00 0.00 C ATOM 917 C MET A 60 11.170 2.019 -9.688 1.00 0.00 C ATOM 918 O MET A 60 12.223 1.420 -9.772 1.00 0.00 O ATOM 919 CB MET A 60 10.164 2.117 -7.387 1.00 0.00 C ATOM 920 CG MET A 60 8.797 2.104 -6.699 1.00 0.00 C ATOM 921 SD MET A 60 7.921 3.650 -7.049 1.00 0.00 S ATOM 922 CE MET A 60 6.533 2.923 -7.954 1.00 0.00 C ATOM 0 H MET A 60 11.183 -0.322 -8.523 1.00 0.00 H new ATOM 0 HA MET A 60 9.085 1.703 -9.218 1.00 0.00 H new ATOM 0 HB2 MET A 60 10.891 1.576 -6.782 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.525 3.141 -7.479 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.211 1.255 -7.051 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.922 1.981 -5.623 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.825 3.706 -8.225 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.902 2.438 -8.858 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.034 2.186 -7.325 1.00 0.00 H new ATOM 932 N PRO A 61 10.932 3.147 -10.336 1.00 0.00 N ATOM 933 CA PRO A 61 11.947 3.757 -11.219 1.00 0.00 C ATOM 934 C PRO A 61 13.265 3.985 -10.469 1.00 0.00 C ATOM 935 O PRO A 61 14.232 4.453 -11.037 1.00 0.00 O ATOM 936 CB PRO A 61 11.333 5.093 -11.665 1.00 0.00 C ATOM 937 CG PRO A 61 9.929 5.200 -11.028 1.00 0.00 C ATOM 938 CD PRO A 61 9.662 3.902 -10.256 1.00 0.00 C ATOM 0 HA PRO A 61 12.188 3.114 -12.065 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.961 5.927 -11.350 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.264 5.139 -12.752 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.878 6.059 -10.359 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.171 5.349 -11.797 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.388 4.106 -9.221 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.839 3.340 -10.699 1.00 0.00 H new ATOM 946 N ASN A 62 13.312 3.650 -9.204 1.00 0.00 N ATOM 947 CA ASN A 62 14.570 3.836 -8.419 1.00 0.00 C ATOM 948 C ASN A 62 14.849 2.566 -7.613 1.00 0.00 C ATOM 949 O ASN A 62 14.170 2.270 -6.650 1.00 0.00 O ATOM 950 CB ASN A 62 14.411 5.023 -7.466 1.00 0.00 C ATOM 951 CG ASN A 62 13.269 4.745 -6.489 1.00 0.00 C ATOM 952 OD1 ASN A 62 12.036 4.893 -6.888 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 13.501 4.389 -5.350 1.00 0.00 N flip ATOM 0 H ASN A 62 12.531 3.255 -8.680 1.00 0.00 H new ATOM 0 HA ASN A 62 15.400 4.031 -9.098 1.00 0.00 H new ATOM 0 HB2 ASN A 62 15.339 5.190 -6.919 1.00 0.00 H new ATOM 0 HB3 ASN A 62 14.206 5.932 -8.032 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.465 4.273 -5.038 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.731 4.206 -4.706 1.00 0.00 H new ATOM 960 N MET A 63 15.839 1.810 -8.006 1.00 0.00 N ATOM 961 CA MET A 63 16.161 0.554 -7.269 1.00 0.00 C ATOM 962 C MET A 63 14.902 -0.312 -7.165 1.00 0.00 C ATOM 963 O MET A 63 14.655 -1.168 -7.991 1.00 0.00 O ATOM 964 CB MET A 63 16.673 0.895 -5.867 1.00 0.00 C ATOM 965 CG MET A 63 17.900 1.802 -5.976 1.00 0.00 C ATOM 966 SD MET A 63 18.768 1.838 -4.387 1.00 0.00 S ATOM 967 CE MET A 63 17.899 3.262 -3.685 1.00 0.00 C ATOM 0 H MET A 63 16.439 2.008 -8.807 1.00 0.00 H new ATOM 0 HA MET A 63 16.934 0.005 -7.807 1.00 0.00 H new ATOM 0 HB2 MET A 63 15.890 1.392 -5.294 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.930 -0.018 -5.330 1.00 0.00 H new ATOM 0 HG2 MET A 63 18.566 1.438 -6.758 1.00 0.00 H new ATOM 0 HG3 MET A 63 17.596 2.810 -6.259 1.00 0.00 H new ATOM 0 HE1 MET A 63 18.283 3.466 -2.686 1.00 0.00 H new ATOM 0 HE2 MET A 63 18.057 4.134 -4.320 1.00 0.00 H new ATOM 0 HE3 MET A 63 16.833 3.045 -3.626 1.00 0.00 H new ATOM 977 N ASP A 64 14.101 -0.095 -6.157 1.00 0.00 N ATOM 978 CA ASP A 64 12.856 -0.899 -6.000 1.00 0.00 C ATOM 979 C ASP A 64 11.999 -0.273 -4.900 1.00 0.00 C ATOM 980 O ASP A 64 12.510 0.334 -3.980 1.00 0.00 O ATOM 981 CB ASP A 64 13.220 -2.334 -5.605 1.00 0.00 C ATOM 982 CG ASP A 64 13.361 -3.192 -6.863 1.00 0.00 C ATOM 983 OD1 ASP A 64 12.342 -3.610 -7.389 1.00 0.00 O ATOM 984 OD2 ASP A 64 14.485 -3.420 -7.277 1.00 0.00 O ATOM 0 H ASP A 64 14.256 0.607 -5.433 1.00 0.00 H new ATOM 0 HA ASP A 64 12.304 -0.912 -6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 64 14.153 -2.341 -5.041 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.451 -2.749 -4.954 1.00 0.00 H new ATOM 989 N GLY A 65 10.702 -0.409 -4.975 1.00 0.00 N ATOM 990 CA GLY A 65 9.847 0.192 -3.915 1.00 0.00 C ATOM 991 C GLY A 65 10.058 -0.576 -2.606 1.00 0.00 C ATOM 992 O GLY A 65 9.358 -0.377 -1.630 1.00 0.00 O ATOM 0 H GLY A 65 10.204 -0.904 -5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.100 1.244 -3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.798 0.152 -4.210 1.00 0.00 H new ATOM 996 N LEU A 66 11.024 -1.451 -2.580 1.00 0.00 N ATOM 997 CA LEU A 66 11.293 -2.230 -1.342 1.00 0.00 C ATOM 998 C LEU A 66 11.804 -1.283 -0.257 1.00 0.00 C ATOM 999 O LEU A 66 11.284 -1.241 0.839 1.00 0.00 O ATOM 1000 CB LEU A 66 12.353 -3.295 -1.635 1.00 0.00 C ATOM 1001 CG LEU A 66 11.671 -4.615 -2.014 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.714 -5.595 -2.555 1.00 0.00 C ATOM 1003 CD2 LEU A 66 10.993 -5.231 -0.783 1.00 0.00 C ATOM 0 H LEU A 66 11.640 -1.660 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 66 10.378 -2.715 -1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.001 -2.963 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.987 -3.441 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 66 10.919 -4.416 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.227 -6.533 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.191 -5.168 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.467 -5.784 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.512 -6.168 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.741 -5.423 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.244 -4.540 -0.396 1.00 0.00 H new ATOM 1015 N GLU A 67 12.820 -0.520 -0.558 1.00 0.00 N ATOM 1016 CA GLU A 67 13.371 0.430 0.452 1.00 0.00 C ATOM 1017 C GLU A 67 12.418 1.618 0.612 1.00 0.00 C ATOM 1018 O GLU A 67 12.516 2.385 1.550 1.00 0.00 O ATOM 1019 CB GLU A 67 14.736 0.935 -0.023 1.00 0.00 C ATOM 1020 CG GLU A 67 15.293 1.937 0.988 1.00 0.00 C ATOM 1021 CD GLU A 67 15.016 3.361 0.502 1.00 0.00 C ATOM 1022 OE1 GLU A 67 15.498 3.706 -0.565 1.00 0.00 O ATOM 1023 OE2 GLU A 67 14.325 4.083 1.203 1.00 0.00 O ATOM 0 H GLU A 67 13.293 -0.513 -1.461 1.00 0.00 H new ATOM 0 HA GLU A 67 13.480 -0.079 1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.425 0.098 -0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.640 1.406 -1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.834 1.779 1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.365 1.786 1.112 1.00 0.00 H new ATOM 1030 N LEU A 68 11.494 1.771 -0.296 1.00 0.00 N ATOM 1031 CA LEU A 68 10.529 2.902 -0.206 1.00 0.00 C ATOM 1032 C LEU A 68 9.624 2.682 1.001 1.00 0.00 C ATOM 1033 O LEU A 68 9.539 3.507 1.890 1.00 0.00 O ATOM 1034 CB LEU A 68 9.693 2.933 -1.493 1.00 0.00 C ATOM 1035 CG LEU A 68 8.405 3.743 -1.309 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.735 5.122 -0.743 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.712 3.896 -2.670 1.00 0.00 C ATOM 0 H LEU A 68 11.366 1.158 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 68 11.055 3.850 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.283 3.365 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.444 1.914 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 68 7.744 3.225 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.815 5.692 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.230 5.010 0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.396 5.649 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.794 4.471 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.377 4.415 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.472 2.910 -3.069 1.00 0.00 H new ATOM 1049 N LEU A 69 8.946 1.572 1.036 1.00 0.00 N ATOM 1050 CA LEU A 69 8.039 1.292 2.180 1.00 0.00 C ATOM 1051 C LEU A 69 8.880 0.948 3.414 1.00 0.00 C ATOM 1052 O LEU A 69 8.550 1.325 4.521 1.00 0.00 O ATOM 1053 CB LEU A 69 7.089 0.158 1.774 1.00 0.00 C ATOM 1054 CG LEU A 69 6.899 -0.888 2.886 1.00 0.00 C ATOM 1055 CD1 LEU A 69 6.390 -0.242 4.179 1.00 0.00 C ATOM 1056 CD2 LEU A 69 5.868 -1.914 2.414 1.00 0.00 C ATOM 0 H LEU A 69 8.981 0.845 0.321 1.00 0.00 H new ATOM 0 HA LEU A 69 7.434 2.161 2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.120 0.580 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.477 -0.333 0.882 1.00 0.00 H new ATOM 0 HG LEU A 69 7.861 -1.357 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.266 -1.008 4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.110 0.501 4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.431 0.241 3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.720 -2.665 3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.922 -1.412 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.226 -2.398 1.505 1.00 0.00 H new ATOM 1068 N LYS A 70 9.980 0.268 3.231 1.00 0.00 N ATOM 1069 CA LYS A 70 10.858 -0.063 4.395 1.00 0.00 C ATOM 1070 C LYS A 70 11.057 1.199 5.238 1.00 0.00 C ATOM 1071 O LYS A 70 10.917 1.182 6.443 1.00 0.00 O ATOM 1072 CB LYS A 70 12.223 -0.546 3.888 1.00 0.00 C ATOM 1073 CG LYS A 70 12.948 -1.325 4.989 1.00 0.00 C ATOM 1074 CD LYS A 70 14.434 -0.954 4.992 1.00 0.00 C ATOM 1075 CE LYS A 70 15.226 -2.033 5.733 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.634 -1.582 5.914 1.00 0.00 N ATOM 0 H LYS A 70 10.310 -0.073 2.328 1.00 0.00 H new ATOM 0 HA LYS A 70 10.394 -0.847 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.090 -1.179 3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.827 0.307 3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.505 -1.099 5.959 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.831 -2.397 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.798 -0.858 3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.578 0.013 5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.770 -2.232 6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.202 -2.967 5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.172 -2.316 6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.067 -1.413 4.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.648 -0.702 6.467 1.00 0.00 H new ATOM 1090 N THR A 71 11.382 2.295 4.604 1.00 0.00 N ATOM 1091 CA THR A 71 11.590 3.564 5.360 1.00 0.00 C ATOM 1092 C THR A 71 10.436 3.772 6.343 1.00 0.00 C ATOM 1093 O THR A 71 10.634 3.866 7.538 1.00 0.00 O ATOM 1094 CB THR A 71 11.635 4.737 4.377 1.00 0.00 C ATOM 1095 OG1 THR A 71 12.723 4.560 3.481 1.00 0.00 O ATOM 1096 CG2 THR A 71 11.815 6.046 5.149 1.00 0.00 C ATOM 0 H THR A 71 11.512 2.366 3.595 1.00 0.00 H new ATOM 0 HA THR A 71 12.529 3.508 5.910 1.00 0.00 H new ATOM 0 HB THR A 71 10.702 4.776 3.814 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.492 3.878 2.816 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.847 6.880 4.448 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.980 6.181 5.836 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.747 6.010 5.713 1.00 0.00 H new ATOM 1104 N ILE A 72 9.231 3.846 5.849 1.00 0.00 N ATOM 1105 CA ILE A 72 8.065 4.051 6.753 1.00 0.00 C ATOM 1106 C ILE A 72 8.123 3.044 7.905 1.00 0.00 C ATOM 1107 O ILE A 72 7.831 3.368 9.039 1.00 0.00 O ATOM 1108 CB ILE A 72 6.771 3.851 5.962 1.00 0.00 C ATOM 1109 CG1 ILE A 72 6.506 5.087 5.097 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.605 3.649 6.931 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.000 4.650 3.721 1.00 0.00 C ATOM 0 H ILE A 72 9.003 3.773 4.857 1.00 0.00 H new ATOM 0 HA ILE A 72 8.093 5.062 7.159 1.00 0.00 H new ATOM 0 HB ILE A 72 6.869 2.973 5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.770 5.730 5.579 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.420 5.672 4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.683 3.507 6.367 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.792 2.770 7.548 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.507 4.526 7.570 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.812 5.530 3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.751 4.025 3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.076 4.083 3.836 1.00 0.00 H new ATOM 1123 N ARG A 73 8.496 1.825 7.624 1.00 0.00 N ATOM 1124 CA ARG A 73 8.569 0.801 8.705 1.00 0.00 C ATOM 1125 C ARG A 73 9.931 0.889 9.400 1.00 0.00 C ATOM 1126 O ARG A 73 10.151 0.287 10.433 1.00 0.00 O ATOM 1127 CB ARG A 73 8.398 -0.596 8.095 1.00 0.00 C ATOM 1128 CG ARG A 73 7.235 -1.338 8.770 1.00 0.00 C ATOM 1129 CD ARG A 73 7.621 -1.728 10.202 1.00 0.00 C ATOM 1130 NE ARG A 73 6.634 -2.713 10.727 1.00 0.00 N ATOM 1131 CZ ARG A 73 6.536 -2.916 12.013 1.00 0.00 C ATOM 1132 NH1 ARG A 73 7.404 -2.379 12.827 1.00 0.00 N ATOM 1133 NH2 ARG A 73 5.571 -3.657 12.485 1.00 0.00 N ATOM 0 H ARG A 73 8.753 1.494 6.694 1.00 0.00 H new ATOM 0 HA ARG A 73 7.777 0.982 9.432 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.211 -0.512 7.024 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.319 -1.167 8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.348 -0.705 8.784 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.981 -2.230 8.197 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.623 -2.157 10.217 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.643 -0.844 10.839 1.00 0.00 H new ATOM 0 HE ARG A 73 6.035 -3.228 10.082 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.159 -1.801 12.458 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.327 -2.538 13.832 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.893 -4.078 11.849 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.494 -3.816 13.490 1.00 0.00 H new ATOM 1147 N ALA A 74 10.845 1.633 8.842 1.00 0.00 N ATOM 1148 CA ALA A 74 12.192 1.759 9.471 1.00 0.00 C ATOM 1149 C ALA A 74 12.213 2.973 10.400 1.00 0.00 C ATOM 1150 O ALA A 74 12.971 3.027 11.348 1.00 0.00 O ATOM 1151 CB ALA A 74 13.246 1.939 8.378 1.00 0.00 C ATOM 0 H ALA A 74 10.719 2.160 7.978 1.00 0.00 H new ATOM 0 HA ALA A 74 12.409 0.859 10.046 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.231 2.031 8.835 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.233 1.074 7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.026 2.840 7.805 1.00 0.00 H new ATOM 1157 N ASP A 75 11.389 3.949 10.130 1.00 0.00 N ATOM 1158 CA ASP A 75 11.359 5.166 10.993 1.00 0.00 C ATOM 1159 C ASP A 75 11.369 4.754 12.466 1.00 0.00 C ATOM 1160 O ASP A 75 11.010 3.646 12.814 1.00 0.00 O ATOM 1161 CB ASP A 75 10.090 5.970 10.697 1.00 0.00 C ATOM 1162 CG ASP A 75 10.356 6.941 9.546 1.00 0.00 C ATOM 1163 OD1 ASP A 75 11.344 7.652 9.613 1.00 0.00 O ATOM 1164 OD2 ASP A 75 9.566 6.956 8.616 1.00 0.00 O ATOM 0 H ASP A 75 10.734 3.957 9.348 1.00 0.00 H new ATOM 0 HA ASP A 75 12.236 5.778 10.784 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.273 5.297 10.437 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.780 6.520 11.586 1.00 0.00 H new ATOM 1169 N GLY A 76 11.781 5.637 13.336 1.00 0.00 N ATOM 1170 CA GLY A 76 11.818 5.296 14.787 1.00 0.00 C ATOM 1171 C GLY A 76 10.480 4.686 15.208 1.00 0.00 C ATOM 1172 O GLY A 76 10.430 3.618 15.785 1.00 0.00 O ATOM 0 H GLY A 76 12.094 6.580 13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.627 4.593 14.985 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.022 6.191 15.375 1.00 0.00 H new ATOM 1176 N ALA A 77 9.395 5.355 14.927 1.00 0.00 N ATOM 1177 CA ALA A 77 8.063 4.812 15.314 1.00 0.00 C ATOM 1178 C ALA A 77 7.025 5.206 14.262 1.00 0.00 C ATOM 1179 O ALA A 77 6.651 6.357 14.145 1.00 0.00 O ATOM 1180 CB ALA A 77 7.653 5.387 16.672 1.00 0.00 C ATOM 0 H ALA A 77 9.374 6.254 14.446 1.00 0.00 H new ATOM 0 HA ALA A 77 8.120 3.725 15.380 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.678 4.990 16.956 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.391 5.107 17.423 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.597 6.473 16.605 1.00 0.00 H new ATOM 1186 N MET A 78 6.557 4.259 13.495 1.00 0.00 N ATOM 1187 CA MET A 78 5.543 4.574 12.450 1.00 0.00 C ATOM 1188 C MET A 78 4.559 3.408 12.333 1.00 0.00 C ATOM 1189 O MET A 78 3.780 3.331 11.403 1.00 0.00 O ATOM 1190 CB MET A 78 6.241 4.788 11.106 1.00 0.00 C ATOM 1191 CG MET A 78 6.260 6.282 10.774 1.00 0.00 C ATOM 1192 SD MET A 78 4.588 6.824 10.343 1.00 0.00 S ATOM 1193 CE MET A 78 4.722 8.508 10.992 1.00 0.00 C ATOM 0 H MET A 78 6.834 3.279 13.548 1.00 0.00 H new ATOM 0 HA MET A 78 5.005 5.481 12.726 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.259 4.401 11.147 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.721 4.237 10.322 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.630 6.851 11.627 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.941 6.473 9.945 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.783 9.036 10.829 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.937 8.470 12.060 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.527 9.033 10.478 1.00 0.00 H new ATOM 1203 N SER A 79 4.583 2.503 13.272 1.00 0.00 N ATOM 1204 CA SER A 79 3.645 1.348 13.215 1.00 0.00 C ATOM 1205 C SER A 79 2.210 1.858 13.365 1.00 0.00 C ATOM 1206 O SER A 79 1.272 1.089 13.441 1.00 0.00 O ATOM 1207 CB SER A 79 3.962 0.375 14.351 1.00 0.00 C ATOM 1208 OG SER A 79 4.894 -0.595 13.892 1.00 0.00 O ATOM 0 H SER A 79 5.211 2.514 14.076 1.00 0.00 H new ATOM 0 HA SER A 79 3.754 0.835 12.260 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.372 0.915 15.204 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.049 -0.114 14.692 1.00 0.00 H new ATOM 0 HG SER A 79 5.101 -1.219 14.618 1.00 0.00 H new ATOM 1214 N ALA A 80 2.033 3.150 13.413 1.00 0.00 N ATOM 1215 CA ALA A 80 0.662 3.710 13.561 1.00 0.00 C ATOM 1216 C ALA A 80 0.047 3.934 12.178 1.00 0.00 C ATOM 1217 O ALA A 80 -1.148 4.114 12.052 1.00 0.00 O ATOM 1218 CB ALA A 80 0.733 5.041 14.312 1.00 0.00 C ATOM 0 H ALA A 80 2.780 3.842 13.356 1.00 0.00 H new ATOM 0 HA ALA A 80 0.043 3.010 14.122 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.271 5.451 14.421 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.168 4.879 15.298 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.353 5.742 13.753 1.00 0.00 H new ATOM 1224 N LEU A 81 0.853 3.922 11.142 1.00 0.00 N ATOM 1225 CA LEU A 81 0.316 4.131 9.763 1.00 0.00 C ATOM 1226 C LEU A 81 0.450 2.816 8.952 1.00 0.00 C ATOM 1227 O LEU A 81 1.524 2.516 8.467 1.00 0.00 O ATOM 1228 CB LEU A 81 1.108 5.245 9.069 1.00 0.00 C ATOM 1229 CG LEU A 81 0.128 6.326 8.590 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -0.519 7.032 9.790 1.00 0.00 C ATOM 1231 CD2 LEU A 81 0.874 7.356 7.741 1.00 0.00 C ATOM 0 H LEU A 81 1.861 3.776 11.194 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.734 4.416 9.821 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.837 5.674 9.757 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.666 4.841 8.224 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.651 5.851 7.994 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.211 7.795 9.434 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.062 6.303 10.392 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.255 7.500 10.398 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.177 8.122 7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.660 7.819 8.338 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.318 6.862 6.877 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.624 2.046 8.840 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.594 0.755 8.110 1.00 0.00 C ATOM 1245 C PRO A 82 -0.245 0.896 6.620 1.00 0.00 C ATOM 1246 O PRO A 82 -0.731 1.767 5.918 1.00 0.00 O ATOM 1247 CB PRO A 82 -2.012 0.187 8.252 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.837 1.176 9.107 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.944 2.375 9.426 1.00 0.00 C ATOM 0 HA PRO A 82 0.183 0.114 8.527 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.470 0.056 7.272 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.984 -0.795 8.725 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.728 1.496 8.567 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.176 0.697 10.026 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.348 3.292 8.996 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.868 2.534 10.502 1.00 0.00 H new ATOM 1257 N VAL A 83 0.568 -0.013 6.135 1.00 0.00 N ATOM 1258 CA VAL A 83 0.945 -0.029 4.691 1.00 0.00 C ATOM 1259 C VAL A 83 0.611 -1.393 4.131 1.00 0.00 C ATOM 1260 O VAL A 83 1.186 -2.379 4.547 1.00 0.00 O ATOM 1261 CB VAL A 83 2.458 0.153 4.501 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.897 -0.518 3.182 1.00 0.00 C ATOM 1263 CG2 VAL A 83 2.805 1.631 4.422 1.00 0.00 C ATOM 0 H VAL A 83 0.992 -0.756 6.691 1.00 0.00 H new ATOM 0 HA VAL A 83 0.409 0.780 4.195 1.00 0.00 H new ATOM 0 HB VAL A 83 2.970 -0.301 5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.971 -0.388 3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.662 -1.582 3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.369 -0.058 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.881 1.746 4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.283 2.083 3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.500 2.126 5.344 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.245 -1.466 3.155 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.514 -2.790 2.557 1.00 0.00 C ATOM 1275 C LEU A 84 0.318 -2.871 1.294 1.00 0.00 C ATOM 1276 O LEU A 84 0.074 -2.179 0.325 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.005 -2.970 2.245 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.305 -4.360 1.618 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -1.385 -5.460 2.164 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -3.745 -4.754 1.941 1.00 0.00 C ATOM 0 H LEU A 84 -0.759 -0.681 2.754 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.250 -3.587 3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.584 -2.853 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.329 -2.186 1.561 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.139 -4.271 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.636 -6.411 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.347 -5.209 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.517 -5.543 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.962 -5.729 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.875 -4.804 3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.427 -4.011 1.528 1.00 0.00 H new ATOM 1292 N MET A 85 1.321 -3.685 1.311 1.00 0.00 N ATOM 1293 CA MET A 85 2.196 -3.787 0.135 1.00 0.00 C ATOM 1294 C MET A 85 1.591 -4.803 -0.835 1.00 0.00 C ATOM 1295 O MET A 85 0.965 -5.758 -0.424 1.00 0.00 O ATOM 1296 CB MET A 85 3.571 -4.253 0.613 1.00 0.00 C ATOM 1297 CG MET A 85 4.361 -4.826 -0.570 1.00 0.00 C ATOM 1298 SD MET A 85 6.137 -4.589 -0.301 1.00 0.00 S ATOM 1299 CE MET A 85 6.226 -2.868 -0.851 1.00 0.00 C ATOM 0 H MET A 85 1.572 -4.287 2.095 1.00 0.00 H new ATOM 0 HA MET A 85 2.293 -2.829 -0.375 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.115 -3.419 1.056 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.460 -5.010 1.390 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.141 -5.887 -0.685 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.056 -4.335 -1.494 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.963 -2.332 -0.252 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.519 -2.836 -1.901 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.250 -2.397 -0.732 1.00 0.00 H new ATOM 1309 N VAL A 86 1.761 -4.600 -2.111 1.00 0.00 N ATOM 1310 CA VAL A 86 1.190 -5.550 -3.108 1.00 0.00 C ATOM 1311 C VAL A 86 2.275 -5.880 -4.137 1.00 0.00 C ATOM 1312 O VAL A 86 3.084 -5.042 -4.478 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.050 -4.904 -3.768 1.00 0.00 C ATOM 1314 CG1 VAL A 86 0.090 -3.390 -3.811 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.264 -5.442 -5.187 1.00 0.00 C ATOM 0 H VAL A 86 2.273 -3.813 -2.509 1.00 0.00 H new ATOM 0 HA VAL A 86 0.870 -6.477 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.918 -5.164 -3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.793 -2.956 -4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.189 -3.005 -2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.975 -3.123 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.143 -4.970 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.611 -5.218 -5.797 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.413 -6.521 -5.148 1.00 0.00 H new ATOM 1325 N THR A 87 2.316 -7.093 -4.626 1.00 0.00 N ATOM 1326 CA THR A 87 3.375 -7.443 -5.618 1.00 0.00 C ATOM 1327 C THR A 87 2.880 -8.525 -6.580 1.00 0.00 C ATOM 1328 O THR A 87 1.809 -9.074 -6.418 1.00 0.00 O ATOM 1329 CB THR A 87 4.611 -7.957 -4.875 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.644 -8.231 -5.812 1.00 0.00 O ATOM 1331 CG2 THR A 87 4.258 -9.235 -4.115 1.00 0.00 C ATOM 0 H THR A 87 1.672 -7.846 -4.385 1.00 0.00 H new ATOM 0 HA THR A 87 3.624 -6.551 -6.193 1.00 0.00 H new ATOM 0 HB THR A 87 4.951 -7.200 -4.168 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.437 -8.559 -5.338 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.139 -9.599 -3.587 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.466 -9.024 -3.397 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.917 -9.994 -4.819 1.00 0.00 H new ATOM 1339 N ALA A 88 3.671 -8.835 -7.577 1.00 0.00 N ATOM 1340 CA ALA A 88 3.284 -9.886 -8.564 1.00 0.00 C ATOM 1341 C ALA A 88 4.239 -11.074 -8.426 1.00 0.00 C ATOM 1342 O ALA A 88 5.393 -10.914 -8.080 1.00 0.00 O ATOM 1343 CB ALA A 88 3.387 -9.317 -9.981 1.00 0.00 C ATOM 0 H ALA A 88 4.577 -8.399 -7.750 1.00 0.00 H new ATOM 0 HA ALA A 88 2.260 -10.209 -8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.105 -10.084 -10.702 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.718 -8.462 -10.079 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.412 -8.999 -10.172 1.00 0.00 H new ATOM 1349 N GLU A 89 3.771 -12.263 -8.685 1.00 0.00 N ATOM 1350 CA GLU A 89 4.660 -13.452 -8.557 1.00 0.00 C ATOM 1351 C GLU A 89 5.375 -13.395 -7.201 1.00 0.00 C ATOM 1352 O GLU A 89 6.486 -12.917 -7.084 1.00 0.00 O ATOM 1353 CB GLU A 89 5.683 -13.450 -9.701 1.00 0.00 C ATOM 1354 CG GLU A 89 6.053 -14.892 -10.059 1.00 0.00 C ATOM 1355 CD GLU A 89 5.008 -15.462 -11.021 1.00 0.00 C ATOM 1356 OE1 GLU A 89 3.893 -14.964 -11.016 1.00 0.00 O ATOM 1357 OE2 GLU A 89 5.340 -16.385 -11.746 1.00 0.00 O ATOM 0 H GLU A 89 2.815 -12.463 -8.979 1.00 0.00 H new ATOM 0 HA GLU A 89 4.073 -14.368 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.269 -12.943 -10.572 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.575 -12.898 -9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.041 -14.922 -10.519 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.103 -15.501 -9.156 1.00 0.00 H new ATOM 1364 N ALA A 90 4.732 -13.869 -6.169 1.00 0.00 N ATOM 1365 CA ALA A 90 5.353 -13.834 -4.813 1.00 0.00 C ATOM 1366 C ALA A 90 6.283 -15.037 -4.631 1.00 0.00 C ATOM 1367 O ALA A 90 5.860 -16.174 -4.687 1.00 0.00 O ATOM 1368 CB ALA A 90 4.250 -13.875 -3.757 1.00 0.00 C ATOM 0 H ALA A 90 3.800 -14.281 -6.206 1.00 0.00 H new ATOM 0 HA ALA A 90 5.935 -12.919 -4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.697 -13.850 -2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.594 -13.013 -3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.671 -14.791 -3.871 1.00 0.00 H new ATOM 1374 N LYS A 91 7.545 -14.793 -4.407 1.00 0.00 N ATOM 1375 CA LYS A 91 8.499 -15.920 -4.213 1.00 0.00 C ATOM 1376 C LYS A 91 8.255 -16.550 -2.841 1.00 0.00 C ATOM 1377 O LYS A 91 7.276 -16.255 -2.182 1.00 0.00 O ATOM 1378 CB LYS A 91 9.934 -15.395 -4.287 1.00 0.00 C ATOM 1379 CG LYS A 91 10.748 -16.264 -5.248 1.00 0.00 C ATOM 1380 CD LYS A 91 12.180 -15.729 -5.335 1.00 0.00 C ATOM 1381 CE LYS A 91 13.133 -16.704 -4.640 1.00 0.00 C ATOM 1382 NZ LYS A 91 13.269 -17.939 -5.464 1.00 0.00 N ATOM 0 H LYS A 91 7.956 -13.861 -4.350 1.00 0.00 H new ATOM 0 HA LYS A 91 8.349 -16.667 -4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.936 -14.359 -4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.388 -15.407 -3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.755 -17.298 -4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.287 -16.262 -6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.469 -15.603 -6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.242 -14.747 -4.866 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.108 -16.238 -4.500 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.755 -16.955 -3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.147 -18.433 -5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.456 -18.564 -5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.299 -17.683 -6.471 1.00 0.00 H new ATOM 1396 N LYS A 92 9.134 -17.414 -2.403 1.00 0.00 N ATOM 1397 CA LYS A 92 8.950 -18.062 -1.071 1.00 0.00 C ATOM 1398 C LYS A 92 9.821 -17.355 -0.028 1.00 0.00 C ATOM 1399 O LYS A 92 9.418 -17.169 1.103 1.00 0.00 O ATOM 1400 CB LYS A 92 9.345 -19.541 -1.159 1.00 0.00 C ATOM 1401 CG LYS A 92 10.716 -19.680 -1.829 1.00 0.00 C ATOM 1402 CD LYS A 92 11.101 -21.160 -1.905 1.00 0.00 C ATOM 1403 CE LYS A 92 11.864 -21.557 -0.639 1.00 0.00 C ATOM 1404 NZ LYS A 92 13.274 -21.084 -0.739 1.00 0.00 N ATOM 0 H LYS A 92 9.972 -17.699 -2.911 1.00 0.00 H new ATOM 0 HA LYS A 92 7.904 -17.986 -0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.373 -19.978 -0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.596 -20.092 -1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.689 -19.249 -2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 92 11.466 -19.127 -1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.207 -21.774 -2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.718 -21.341 -2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.385 -21.122 0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.841 -22.639 -0.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.849 -21.548 -0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 13.654 -21.320 -1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.305 -20.053 -0.602 1.00 0.00 H new ATOM 1418 N GLU A 93 11.014 -16.969 -0.391 1.00 0.00 N ATOM 1419 CA GLU A 93 11.903 -16.289 0.578 1.00 0.00 C ATOM 1420 C GLU A 93 11.686 -14.774 0.525 1.00 0.00 C ATOM 1421 O GLU A 93 12.047 -14.057 1.436 1.00 0.00 O ATOM 1422 CB GLU A 93 13.362 -16.605 0.244 1.00 0.00 C ATOM 1423 CG GLU A 93 14.175 -16.692 1.537 1.00 0.00 C ATOM 1424 CD GLU A 93 15.664 -16.551 1.219 1.00 0.00 C ATOM 1425 OE1 GLU A 93 16.000 -16.521 0.046 1.00 0.00 O ATOM 1426 OE2 GLU A 93 16.445 -16.476 2.153 1.00 0.00 O ATOM 0 H GLU A 93 11.408 -17.099 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 93 11.669 -16.646 1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.425 -17.546 -0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.773 -15.832 -0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.865 -15.907 2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.988 -17.645 2.033 1.00 0.00 H new ATOM 1433 N ASN A 94 11.111 -14.276 -0.536 1.00 0.00 N ATOM 1434 CA ASN A 94 10.889 -12.806 -0.638 1.00 0.00 C ATOM 1435 C ASN A 94 9.648 -12.405 0.161 1.00 0.00 C ATOM 1436 O ASN A 94 9.498 -11.264 0.549 1.00 0.00 O ATOM 1437 CB ASN A 94 10.688 -12.418 -2.104 1.00 0.00 C ATOM 1438 CG ASN A 94 12.047 -12.214 -2.775 1.00 0.00 C ATOM 1439 OD1 ASN A 94 13.069 -12.570 -2.225 1.00 0.00 O ATOM 1440 ND2 ASN A 94 12.101 -11.652 -3.953 1.00 0.00 N ATOM 0 H ASN A 94 10.786 -14.822 -1.334 1.00 0.00 H new ATOM 0 HA ASN A 94 11.760 -12.290 -0.235 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.129 -13.197 -2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 94 10.098 -11.504 -2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.002 -11.512 -4.411 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.242 -11.353 -4.415 1.00 0.00 H new ATOM 1447 N ILE A 95 8.748 -13.321 0.406 1.00 0.00 N ATOM 1448 CA ILE A 95 7.523 -12.952 1.168 1.00 0.00 C ATOM 1449 C ILE A 95 7.886 -12.646 2.623 1.00 0.00 C ATOM 1450 O ILE A 95 7.081 -12.133 3.371 1.00 0.00 O ATOM 1451 CB ILE A 95 6.487 -14.076 1.083 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.800 -13.978 -0.289 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.447 -13.903 2.201 1.00 0.00 C ATOM 1454 CD1 ILE A 95 4.821 -15.134 -0.483 1.00 0.00 C ATOM 0 H ILE A 95 8.808 -14.297 0.115 1.00 0.00 H new ATOM 0 HA ILE A 95 7.084 -12.056 0.729 1.00 0.00 H new ATOM 0 HB ILE A 95 6.965 -15.049 1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.271 -13.029 -0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.550 -13.993 -1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.710 -14.704 2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.945 -13.942 3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.948 -12.941 2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.345 -15.047 -1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.359 -16.080 -0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.060 -15.101 0.296 1.00 0.00 H new ATOM 1466 N ILE A 96 9.103 -12.908 3.022 1.00 0.00 N ATOM 1467 CA ILE A 96 9.507 -12.560 4.416 1.00 0.00 C ATOM 1468 C ILE A 96 10.059 -11.150 4.371 1.00 0.00 C ATOM 1469 O ILE A 96 9.684 -10.297 5.151 1.00 0.00 O ATOM 1470 CB ILE A 96 10.607 -13.489 4.933 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.983 -14.761 5.512 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.396 -12.761 6.033 1.00 0.00 C ATOM 1473 CD1 ILE A 96 11.065 -15.832 5.663 1.00 0.00 C ATOM 0 H ILE A 96 9.827 -13.343 2.450 1.00 0.00 H new ATOM 0 HA ILE A 96 8.647 -12.656 5.078 1.00 0.00 H new ATOM 0 HB ILE A 96 11.272 -13.760 4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.528 -14.549 6.479 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.188 -15.120 4.858 1.00 0.00 H new ATOM 0 HG21 ILE A 96 12.183 -13.414 6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.842 -11.855 5.622 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.723 -12.497 6.849 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.624 -16.739 6.075 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.499 -16.051 4.687 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.844 -15.470 6.334 1.00 0.00 H new ATOM 1485 N ALA A 97 10.948 -10.908 3.443 1.00 0.00 N ATOM 1486 CA ALA A 97 11.537 -9.554 3.304 1.00 0.00 C ATOM 1487 C ALA A 97 10.408 -8.545 3.421 1.00 0.00 C ATOM 1488 O ALA A 97 10.604 -7.404 3.792 1.00 0.00 O ATOM 1489 CB ALA A 97 12.206 -9.422 1.935 1.00 0.00 C ATOM 0 H ALA A 97 11.290 -11.598 2.774 1.00 0.00 H new ATOM 0 HA ALA A 97 12.287 -9.381 4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.638 -8.426 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.993 -10.170 1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.464 -9.576 1.151 1.00 0.00 H new ATOM 1495 N ALA A 98 9.215 -8.971 3.115 1.00 0.00 N ATOM 1496 CA ALA A 98 8.060 -8.056 3.217 1.00 0.00 C ATOM 1497 C ALA A 98 8.078 -7.392 4.590 1.00 0.00 C ATOM 1498 O ALA A 98 8.097 -6.204 4.701 1.00 0.00 O ATOM 1499 CB ALA A 98 6.752 -8.822 3.042 1.00 0.00 C ATOM 0 H ALA A 98 8.996 -9.916 2.799 1.00 0.00 H new ATOM 0 HA ALA A 98 8.130 -7.304 2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.913 -8.131 3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.738 -9.300 2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.669 -9.583 3.818 1.00 0.00 H new ATOM 1505 N ALA A 99 8.072 -8.134 5.651 1.00 0.00 N ATOM 1506 CA ALA A 99 8.092 -7.464 6.979 1.00 0.00 C ATOM 1507 C ALA A 99 9.144 -6.355 6.959 1.00 0.00 C ATOM 1508 O ALA A 99 8.891 -5.245 7.384 1.00 0.00 O ATOM 1509 CB ALA A 99 8.437 -8.483 8.058 1.00 0.00 C ATOM 0 H ALA A 99 8.055 -9.154 5.664 1.00 0.00 H new ATOM 0 HA ALA A 99 7.113 -7.036 7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.452 -7.992 9.031 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.689 -9.275 8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 99 9.418 -8.912 7.853 1.00 0.00 H new ATOM 1515 N GLN A 100 10.308 -6.626 6.431 1.00 0.00 N ATOM 1516 CA GLN A 100 11.332 -5.546 6.356 1.00 0.00 C ATOM 1517 C GLN A 100 10.746 -4.402 5.517 1.00 0.00 C ATOM 1518 O GLN A 100 10.936 -3.239 5.810 1.00 0.00 O ATOM 1519 CB GLN A 100 12.606 -6.083 5.696 1.00 0.00 C ATOM 1520 CG GLN A 100 12.966 -7.434 6.316 1.00 0.00 C ATOM 1521 CD GLN A 100 13.039 -7.298 7.839 1.00 0.00 C ATOM 1522 OE1 GLN A 100 13.808 -6.509 8.353 1.00 0.00 O ATOM 1523 NE2 GLN A 100 12.267 -8.039 8.586 1.00 0.00 N ATOM 0 H GLN A 100 10.590 -7.531 6.055 1.00 0.00 H new ATOM 0 HA GLN A 100 11.588 -5.191 7.354 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.455 -6.192 4.622 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.425 -5.377 5.833 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.220 -8.181 6.043 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.923 -7.781 5.926 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.622 -8.701 8.154 1.00 0.00 H new ATOM 0 HE22 GLN A 100 12.309 -7.956 9.602 1.00 0.00 H new ATOM 1532 N ALA A 101 9.993 -4.744 4.498 1.00 0.00 N ATOM 1533 CA ALA A 101 9.332 -3.707 3.636 1.00 0.00 C ATOM 1534 C ALA A 101 7.845 -4.028 3.589 1.00 0.00 C ATOM 1535 O ALA A 101 7.061 -3.375 4.231 1.00 0.00 O ATOM 1536 CB ALA A 101 9.905 -3.731 2.221 1.00 0.00 C ATOM 0 H ALA A 101 9.805 -5.708 4.222 1.00 0.00 H new ATOM 0 HA ALA A 101 9.507 -2.714 4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.411 -2.971 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.975 -3.526 2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.739 -4.713 1.778 1.00 0.00 H new ATOM 1542 N GLY A 102 7.480 -5.082 2.874 1.00 0.00 N ATOM 1543 CA GLY A 102 6.059 -5.545 2.816 1.00 0.00 C ATOM 1544 C GLY A 102 5.568 -5.613 4.247 1.00 0.00 C ATOM 1545 O GLY A 102 5.624 -6.597 4.952 1.00 0.00 O ATOM 0 H GLY A 102 8.127 -5.644 2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.451 -4.856 2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.989 -6.521 2.335 1.00 0.00 H new ATOM 1549 N ALA A 103 5.208 -4.492 4.661 1.00 0.00 N ATOM 1550 CA ALA A 103 4.800 -4.222 6.048 1.00 0.00 C ATOM 1551 C ALA A 103 3.467 -4.838 6.459 1.00 0.00 C ATOM 1552 O ALA A 103 3.346 -6.028 6.670 1.00 0.00 O ATOM 1553 CB ALA A 103 4.705 -2.725 6.166 1.00 0.00 C ATOM 0 H ALA A 103 5.169 -3.668 4.061 1.00 0.00 H new ATOM 0 HA ALA A 103 5.536 -4.676 6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.404 -2.458 7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.676 -2.280 5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.966 -2.350 5.458 1.00 0.00 H new ATOM 1559 N SER A 104 2.488 -3.994 6.643 1.00 0.00 N ATOM 1560 CA SER A 104 1.150 -4.458 7.130 1.00 0.00 C ATOM 1561 C SER A 104 0.758 -5.794 6.505 1.00 0.00 C ATOM 1562 O SER A 104 0.434 -6.736 7.201 1.00 0.00 O ATOM 1563 CB SER A 104 0.082 -3.415 6.804 1.00 0.00 C ATOM 1564 OG SER A 104 -0.502 -3.715 5.547 1.00 0.00 O ATOM 0 H SER A 104 2.556 -2.990 6.475 1.00 0.00 H new ATOM 0 HA SER A 104 1.221 -4.591 8.209 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.683 -3.407 7.580 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.525 -2.419 6.783 1.00 0.00 H new ATOM 0 HG SER A 104 0.167 -3.602 4.840 1.00 0.00 H new ATOM 1570 N GLY A 105 0.765 -5.892 5.212 1.00 0.00 N ATOM 1571 CA GLY A 105 0.369 -7.179 4.584 1.00 0.00 C ATOM 1572 C GLY A 105 0.966 -7.289 3.190 1.00 0.00 C ATOM 1573 O GLY A 105 1.507 -6.341 2.657 1.00 0.00 O ATOM 0 H GLY A 105 1.024 -5.147 4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.708 -8.012 5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.718 -7.246 4.528 1.00 0.00 H new ATOM 1577 N TYR A 106 0.848 -8.440 2.593 1.00 0.00 N ATOM 1578 CA TYR A 106 1.368 -8.634 1.216 1.00 0.00 C ATOM 1579 C TYR A 106 0.294 -9.357 0.417 1.00 0.00 C ATOM 1580 O TYR A 106 -0.064 -10.479 0.713 1.00 0.00 O ATOM 1581 CB TYR A 106 2.649 -9.482 1.222 1.00 0.00 C ATOM 1582 CG TYR A 106 2.486 -10.656 0.270 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.700 -10.495 -1.111 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.112 -11.910 0.770 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.538 -11.584 -1.974 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.952 -12.995 -0.095 1.00 0.00 C ATOM 1587 CZ TYR A 106 2.165 -12.834 -1.466 1.00 0.00 C ATOM 1588 OH TYR A 106 2.003 -13.907 -2.317 1.00 0.00 O ATOM 0 H TYR A 106 0.408 -9.263 3.006 1.00 0.00 H new ATOM 0 HA TYR A 106 1.608 -7.666 0.777 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.502 -8.873 0.922 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.854 -9.843 2.230 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.989 -9.532 -1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.947 -12.038 1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.701 -11.460 -3.034 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.663 -13.959 0.297 1.00 0.00 H new ATOM 0 HH TYR A 106 1.744 -14.698 -1.800 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.224 -8.718 -0.584 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.277 -9.348 -1.417 1.00 0.00 C ATOM 1600 C VAL A 107 -0.710 -9.519 -2.821 1.00 0.00 C ATOM 1601 O VAL A 107 -0.209 -8.586 -3.417 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.505 -8.436 -1.431 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.123 -7.091 -2.038 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.630 -9.080 -2.244 1.00 0.00 C ATOM 0 H VAL A 107 0.040 -7.774 -0.866 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.576 -10.319 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.858 -8.287 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.995 -6.437 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.334 -6.633 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.766 -7.240 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.499 -8.422 -2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.293 -9.241 -3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.901 -10.036 -1.797 1.00 0.00 H new ATOM 1614 N VAL A 108 -0.753 -10.704 -3.351 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.188 -10.907 -4.707 1.00 0.00 C ATOM 1616 C VAL A 108 -1.189 -10.399 -5.758 1.00 0.00 C ATOM 1617 O VAL A 108 -2.224 -10.996 -5.980 1.00 0.00 O ATOM 1618 CB VAL A 108 0.082 -12.396 -4.936 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -1.228 -13.178 -4.825 1.00 0.00 C ATOM 1620 CG2 VAL A 108 0.677 -12.596 -6.332 1.00 0.00 C ATOM 0 H VAL A 108 -1.151 -11.533 -2.909 1.00 0.00 H new ATOM 0 HA VAL A 108 0.747 -10.354 -4.796 1.00 0.00 H new ATOM 0 HB VAL A 108 0.784 -12.757 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.034 -14.238 -4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.654 -13.036 -3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.931 -12.818 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.870 -13.656 -6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.026 -12.234 -7.082 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.611 -12.040 -6.412 1.00 0.00 H new ATOM 1630 N LYS A 109 -0.895 -9.299 -6.401 1.00 0.00 N ATOM 1631 CA LYS A 109 -1.835 -8.750 -7.431 1.00 0.00 C ATOM 1632 C LYS A 109 -1.869 -9.687 -8.649 1.00 0.00 C ATOM 1633 O LYS A 109 -0.914 -10.402 -8.881 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.326 -7.374 -7.874 1.00 0.00 C ATOM 1635 CG LYS A 109 0.195 -7.422 -8.036 1.00 0.00 C ATOM 1636 CD LYS A 109 0.626 -6.449 -9.135 1.00 0.00 C ATOM 1637 CE LYS A 109 0.455 -7.108 -10.507 1.00 0.00 C ATOM 1638 NZ LYS A 109 0.032 -6.079 -11.498 1.00 0.00 N ATOM 0 H LYS A 109 -0.044 -8.754 -6.259 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.837 -8.667 -7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.794 -7.087 -8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.601 -6.618 -7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.679 -7.161 -7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.512 -8.434 -8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.029 -5.538 -9.082 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.666 -6.158 -8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.392 -7.569 -10.821 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.288 -7.903 -10.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -0.085 -6.523 -12.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.871 -5.659 -11.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.757 -5.335 -11.557 1.00 0.00 H new ATOM 1652 N PRO A 110 -2.933 -9.637 -9.433 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.130 -8.782 -9.201 1.00 0.00 C ATOM 1654 C PRO A 110 -5.005 -9.369 -8.090 1.00 0.00 C ATOM 1655 O PRO A 110 -4.938 -10.547 -7.797 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.910 -8.846 -10.523 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.135 -9.784 -11.481 1.00 0.00 C ATOM 1658 CD PRO A 110 -2.991 -10.419 -10.678 1.00 0.00 C ATOM 0 HA PRO A 110 -3.851 -7.770 -8.907 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.919 -9.221 -10.354 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.008 -7.851 -10.958 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.795 -10.553 -11.882 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.743 -9.225 -12.331 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.186 -11.472 -10.476 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.048 -10.368 -11.223 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.842 -8.560 -7.490 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.745 -9.076 -6.423 1.00 0.00 C ATOM 1668 C PHE A 111 -8.143 -8.507 -6.612 1.00 0.00 C ATOM 1669 O PHE A 111 -8.337 -7.490 -7.248 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.238 -8.693 -5.022 1.00 0.00 C ATOM 1671 CG PHE A 111 -5.775 -7.252 -4.953 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -6.689 -6.194 -5.101 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.427 -6.970 -4.720 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.242 -4.873 -5.016 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -3.991 -5.650 -4.633 1.00 0.00 C ATOM 1676 CZ PHE A 111 -4.894 -4.602 -4.781 1.00 0.00 C ATOM 0 H PHE A 111 -5.937 -7.565 -7.695 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.764 -10.163 -6.502 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.033 -8.852 -4.294 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.415 -9.351 -4.743 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.734 -6.402 -5.280 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.720 -7.779 -4.607 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -6.942 -4.059 -5.133 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -2.948 -5.439 -4.450 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.552 -3.580 -4.714 1.00 0.00 H new ATOM 1686 N THR A 112 -9.113 -9.147 -6.034 1.00 0.00 N ATOM 1687 CA THR A 112 -10.508 -8.645 -6.137 1.00 0.00 C ATOM 1688 C THR A 112 -10.802 -7.828 -4.882 1.00 0.00 C ATOM 1689 O THR A 112 -10.267 -8.099 -3.826 1.00 0.00 O ATOM 1690 CB THR A 112 -11.481 -9.823 -6.221 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.814 -10.947 -6.776 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.669 -9.442 -7.105 1.00 0.00 C ATOM 0 H THR A 112 -9.001 -10.003 -5.490 1.00 0.00 H new ATOM 0 HA THR A 112 -10.626 -8.033 -7.031 1.00 0.00 H new ATOM 0 HB THR A 112 -11.840 -10.071 -5.222 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.435 -11.703 -6.829 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.362 -10.281 -7.165 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.180 -8.580 -6.676 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.313 -9.193 -8.105 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.630 -6.829 -4.976 1.00 0.00 N ATOM 1701 CA ALA A 113 -11.923 -6.015 -3.766 1.00 0.00 C ATOM 1702 C ALA A 113 -12.262 -6.952 -2.613 1.00 0.00 C ATOM 1703 O ALA A 113 -11.961 -6.677 -1.467 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.101 -5.075 -4.041 1.00 0.00 C ATOM 0 H ALA A 113 -12.112 -6.542 -5.828 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.052 -5.413 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.309 -4.482 -3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.851 -4.411 -4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.982 -5.662 -4.300 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.859 -8.072 -2.904 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.180 -9.030 -1.817 1.00 0.00 C ATOM 1712 C ALA A 114 -11.873 -9.633 -1.321 1.00 0.00 C ATOM 1713 O ALA A 114 -11.707 -9.904 -0.151 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.098 -10.134 -2.346 1.00 0.00 C ATOM 0 H ALA A 114 -13.136 -8.363 -3.842 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.694 -8.519 -1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.328 -10.832 -1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.022 -9.692 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.598 -10.666 -3.156 1.00 0.00 H new ATOM 1720 N THR A 115 -10.927 -9.819 -2.202 1.00 0.00 N ATOM 1721 CA THR A 115 -9.622 -10.372 -1.768 1.00 0.00 C ATOM 1722 C THR A 115 -8.906 -9.293 -0.953 1.00 0.00 C ATOM 1723 O THR A 115 -8.729 -9.444 0.239 1.00 0.00 O ATOM 1724 CB THR A 115 -8.796 -10.768 -2.991 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.322 -11.968 -3.540 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.334 -10.991 -2.589 1.00 0.00 C ATOM 0 H THR A 115 -11.005 -9.612 -3.198 1.00 0.00 H new ATOM 0 HA THR A 115 -9.762 -11.264 -1.158 1.00 0.00 H new ATOM 0 HB THR A 115 -8.843 -9.969 -3.730 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.797 -12.226 -4.326 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.754 -11.273 -3.468 1.00 0.00 H new ATOM 0 HG22 THR A 115 -6.929 -10.072 -2.166 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.278 -11.787 -1.847 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.505 -8.191 -1.564 1.00 0.00 N ATOM 1735 CA LEU A 116 -7.836 -7.126 -0.765 1.00 0.00 C ATOM 1736 C LEU A 116 -8.627 -6.893 0.526 1.00 0.00 C ATOM 1737 O LEU A 116 -8.063 -6.729 1.588 1.00 0.00 O ATOM 1738 CB LEU A 116 -7.809 -5.827 -1.566 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.659 -4.935 -1.075 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.305 -5.553 -1.442 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -6.771 -3.554 -1.721 1.00 0.00 C ATOM 0 H LEU A 116 -8.613 -7.995 -2.559 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.818 -7.436 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.684 -6.046 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.759 -5.303 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.727 -4.846 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.502 -4.907 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.215 -6.534 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.234 -5.657 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.955 -2.922 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.715 -3.654 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.724 -3.100 -1.447 1.00 0.00 H new ATOM 1753 N GLU A 117 -9.933 -6.877 0.440 1.00 0.00 N ATOM 1754 CA GLU A 117 -10.753 -6.652 1.660 1.00 0.00 C ATOM 1755 C GLU A 117 -10.537 -7.800 2.649 1.00 0.00 C ATOM 1756 O GLU A 117 -10.277 -7.585 3.817 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.233 -6.583 1.280 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.084 -6.463 2.547 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.523 -6.114 2.165 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -15.234 -7.007 1.735 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -14.890 -4.960 2.309 1.00 0.00 O ATOM 0 H GLU A 117 -10.462 -7.010 -0.422 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.451 -5.713 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.412 -5.728 0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.517 -7.475 0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.061 -7.400 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.674 -5.694 3.202 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.652 -9.014 2.190 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.461 -10.181 3.100 1.00 0.00 C ATOM 1770 C GLU A 118 -9.205 -9.968 3.943 1.00 0.00 C ATOM 1771 O GLU A 118 -9.187 -10.238 5.127 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.310 -11.462 2.273 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.555 -12.681 3.165 1.00 0.00 C ATOM 1774 CD GLU A 118 -12.046 -13.022 3.166 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -12.576 -13.286 2.099 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -12.635 -13.013 4.236 1.00 0.00 O ATOM 0 H GLU A 118 -10.870 -9.251 1.222 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.328 -10.275 3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.018 -11.457 1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.311 -11.511 1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.977 -13.531 2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.218 -12.475 4.181 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.156 -9.477 3.344 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.905 -9.240 4.113 1.00 0.00 C ATOM 1785 C LYS A 119 -7.054 -7.956 4.928 1.00 0.00 C ATOM 1786 O LYS A 119 -6.693 -7.899 6.087 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.726 -9.103 3.146 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.435 -10.458 2.492 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.068 -10.411 1.807 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.870 -11.679 0.972 1.00 0.00 C ATOM 1791 NZ LYS A 119 -3.742 -12.855 1.878 1.00 0.00 N ATOM 0 H LYS A 119 -8.112 -9.230 2.355 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.721 -10.080 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.955 -8.361 2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.844 -8.749 3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.450 -11.247 3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.210 -10.696 1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.999 -9.529 1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.278 -10.328 2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.714 -11.817 0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.978 -11.584 0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.473 -13.693 1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.012 -12.664 2.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.652 -13.030 2.350 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.591 -6.925 4.333 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.771 -5.647 5.077 1.00 0.00 C ATOM 1807 C LEU A 120 -8.401 -5.949 6.439 1.00 0.00 C ATOM 1808 O LEU A 120 -7.952 -5.476 7.462 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.697 -4.718 4.281 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.405 -3.254 4.642 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.035 -2.825 4.101 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.484 -2.353 4.040 1.00 0.00 C ATOM 0 H LEU A 120 -7.912 -6.913 3.365 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.805 -5.161 5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.552 -4.874 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.738 -4.955 4.499 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.402 -3.161 5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -6.848 -1.785 4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.259 -3.456 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.023 -2.929 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.276 -1.314 4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.488 -2.465 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.458 -2.637 4.438 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.436 -6.742 6.456 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.098 -7.084 7.742 1.00 0.00 C ATOM 1826 C ASN A 121 -9.053 -7.544 8.761 1.00 0.00 C ATOM 1827 O ASN A 121 -8.898 -6.961 9.816 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.101 -8.210 7.496 1.00 0.00 C ATOM 1829 CG ASN A 121 -11.962 -7.870 6.277 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -11.744 -6.867 5.627 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -12.937 -8.668 5.939 1.00 0.00 N ATOM 0 H ASN A 121 -9.853 -7.169 5.629 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.611 -6.206 8.134 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -10.575 -9.150 7.332 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.733 -8.347 8.374 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -13.517 -8.450 5.129 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.120 -9.510 6.485 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.341 -8.589 8.454 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.309 -9.101 9.403 1.00 0.00 C ATOM 1840 C LYS A 122 -6.401 -7.957 9.856 1.00 0.00 C ATOM 1841 O LYS A 122 -5.951 -7.919 10.983 1.00 0.00 O ATOM 1842 CB LYS A 122 -6.461 -10.170 8.708 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.320 -11.400 8.406 1.00 0.00 C ATOM 1844 CD LYS A 122 -6.734 -12.618 9.123 1.00 0.00 C ATOM 1845 CE LYS A 122 -7.529 -13.869 8.744 1.00 0.00 C ATOM 1846 NZ LYS A 122 -6.745 -15.084 9.105 1.00 0.00 N ATOM 0 H LYS A 122 -8.427 -9.115 7.584 1.00 0.00 H new ATOM 0 HA LYS A 122 -7.808 -9.531 10.271 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -6.043 -9.771 7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.620 -10.450 9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -8.346 -11.230 8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -7.354 -11.578 7.331 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.686 -12.744 8.850 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.766 -12.468 10.202 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.488 -13.875 9.262 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -7.744 -13.866 7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.285 -15.935 8.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.841 -15.079 8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -6.561 -15.087 10.129 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.120 -7.029 8.985 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.230 -5.896 9.368 1.00 0.00 C ATOM 1862 C ILE A 123 -5.974 -4.938 10.299 1.00 0.00 C ATOM 1863 O ILE A 123 -5.420 -4.440 11.258 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.797 -5.141 8.112 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.642 -5.886 7.440 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -4.338 -3.733 8.500 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.422 -5.325 6.035 1.00 0.00 C ATOM 0 H ILE A 123 -6.467 -7.005 8.026 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.354 -6.291 9.883 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.636 -5.074 7.420 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.733 -5.779 8.032 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.865 -6.952 7.387 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.028 -3.192 7.606 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -5.160 -3.202 8.979 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.498 -3.802 9.191 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.599 -5.856 5.556 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.329 -5.455 5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.180 -4.264 6.101 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.217 -4.660 10.020 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.975 -3.719 10.887 1.00 0.00 C ATOM 1881 C PHE A 124 -8.421 -4.423 12.166 1.00 0.00 C ATOM 1882 O PHE A 124 -9.056 -3.833 13.017 1.00 0.00 O ATOM 1883 CB PHE A 124 -9.189 -3.193 10.129 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.759 -2.007 9.305 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.954 -2.204 8.180 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -9.150 -0.714 9.669 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.541 -1.112 7.415 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.736 0.382 8.903 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.931 0.181 7.775 1.00 0.00 C ATOM 0 H PHE A 124 -7.738 -5.043 9.231 1.00 0.00 H new ATOM 0 HA PHE A 124 -7.329 -2.883 11.157 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.601 -3.971 9.487 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.976 -2.905 10.826 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.651 -3.203 7.902 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.770 -0.562 10.540 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.920 -1.266 6.545 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -9.037 1.381 9.182 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.611 1.026 7.183 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.083 -5.671 12.324 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.480 -6.383 13.567 1.00 0.00 C ATOM 1901 C GLU A 125 -7.569 -5.910 14.698 1.00 0.00 C ATOM 1902 O GLU A 125 -7.973 -5.813 15.840 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.330 -7.892 13.375 1.00 0.00 C ATOM 1904 CG GLU A 125 -8.594 -8.605 14.703 1.00 0.00 C ATOM 1905 CD GLU A 125 -9.207 -9.980 14.432 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -8.909 -10.544 13.392 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -9.963 -10.445 15.268 1.00 0.00 O ATOM 0 H GLU A 125 -7.553 -6.225 11.651 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.521 -6.168 13.807 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.029 -8.244 12.616 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.327 -8.126 13.018 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -7.664 -8.714 15.261 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -9.268 -8.010 15.320 1.00 0.00 H new ATOM 1914 N LYS A 126 -6.345 -5.594 14.379 1.00 0.00 N ATOM 1915 CA LYS A 126 -5.406 -5.101 15.421 1.00 0.00 C ATOM 1916 C LYS A 126 -5.547 -3.582 15.515 1.00 0.00 C ATOM 1917 O LYS A 126 -5.292 -2.983 16.540 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.970 -5.463 15.033 1.00 0.00 C ATOM 1919 CG LYS A 126 -3.337 -6.300 16.145 1.00 0.00 C ATOM 1920 CD LYS A 126 -1.931 -6.731 15.723 1.00 0.00 C ATOM 1921 CE LYS A 126 -1.024 -6.785 16.953 1.00 0.00 C ATOM 1922 NZ LYS A 126 -1.794 -7.306 18.116 1.00 0.00 N ATOM 0 H LYS A 126 -5.955 -5.657 13.439 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.637 -5.560 16.383 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.965 -6.020 14.096 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.387 -4.557 14.869 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -3.290 -5.722 17.068 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.952 -7.177 16.349 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -1.968 -7.708 15.242 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -1.528 -6.030 14.991 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -0.164 -7.426 16.756 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -0.636 -5.791 17.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -1.142 -7.752 18.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -2.293 -6.521 18.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -2.486 -8.009 17.787 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.967 -2.959 14.446 1.00 0.00 N ATOM 1937 CA LEU A 127 -6.144 -1.481 14.461 1.00 0.00 C ATOM 1938 C LEU A 127 -7.506 -1.158 15.079 1.00 0.00 C ATOM 1939 O LEU A 127 -7.670 -0.164 15.758 1.00 0.00 O ATOM 1940 CB LEU A 127 -6.080 -0.942 13.022 1.00 0.00 C ATOM 1941 CG LEU A 127 -5.110 0.244 12.940 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -5.521 1.324 13.943 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -3.688 -0.230 13.252 1.00 0.00 C ATOM 0 H LEU A 127 -6.195 -3.413 13.562 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.353 -1.014 15.048 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.757 -1.732 12.344 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.073 -0.631 12.698 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.141 0.660 11.933 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.828 2.163 13.879 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -6.529 1.668 13.714 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -5.499 0.911 14.952 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.002 0.615 13.193 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -3.657 -0.653 14.256 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.391 -0.990 12.529 1.00 0.00 H new ATOM 1955 N GLY A 128 -8.482 -2.004 14.860 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.835 -1.760 15.441 1.00 0.00 C ATOM 1957 C GLY A 128 -10.218 -0.288 15.279 1.00 0.00 C ATOM 1958 O GLY A 128 -10.067 0.505 16.187 1.00 0.00 O ATOM 0 H GLY A 128 -8.398 -2.854 14.303 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.572 -2.392 14.945 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.841 -2.031 16.497 1.00 0.00 H new ATOM 1962 N MET A 129 -10.715 0.086 14.131 1.00 0.00 N ATOM 1963 CA MET A 129 -11.105 1.509 13.918 1.00 0.00 C ATOM 1964 C MET A 129 -12.585 1.689 14.262 1.00 0.00 C ATOM 1965 O MET A 129 -13.037 2.822 14.271 1.00 0.00 O ATOM 1966 CB MET A 129 -10.873 1.888 12.454 1.00 0.00 C ATOM 1967 CG MET A 129 -9.486 2.517 12.303 1.00 0.00 C ATOM 1968 SD MET A 129 -9.558 4.259 12.789 1.00 0.00 S ATOM 1969 CE MET A 129 -8.793 4.942 11.299 1.00 0.00 C ATOM 1970 OXT MET A 129 -13.241 0.690 14.512 1.00 0.00 O ATOM 0 H MET A 129 -10.868 -0.531 13.333 1.00 0.00 H new ATOM 0 HA MET A 129 -10.501 2.151 14.560 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.954 1.004 11.821 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.640 2.588 12.123 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.764 1.985 12.923 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.146 2.430 11.271 1.00 0.00 H new ATOM 0 HE1 MET A 129 -8.735 6.027 11.384 1.00 0.00 H new ATOM 0 HE2 MET A 129 -7.789 4.533 11.185 1.00 0.00 H new ATOM 0 HE3 MET A 129 -9.393 4.678 10.428 1.00 0.00 H new TER 1980 MET A 129