USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 650 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 41 SER OG : rot -130:sc= -0.818! USER MOD Set 1.2: A 64 THR OG1 : rot 180:sc= -0.181 USER MOD Set 2.1: A 46 SER OG : rot 157:sc= -0.738 USER MOD Set 2.2: A 48 MET CE :methyl -165:sc= -3.96! (180deg=-2.58!) USER MOD Set 3.1: A 40 LYS NZ :NH3+ 173:sc= -6.1! (180deg=-5.57!) USER MOD Set 3.2: A 52 SER OG : rot 170:sc= -1.24! USER MOD Set 4.1: A 34 ASN : amide:sc= -5.34! C(o=-5.8!,f=-7.5!) USER MOD Set 4.2: A 43 ASN : amide:sc= -0.429 X(o=-5.8,f=-5.6) USER MOD Set 5.1: A 12 THR OG1 : rot 160:sc= 0.496 USER MOD Set 5.2: A 15 HIS : no HD1:sc= -22.9! C(o=-22!,f=-31!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -18.7! C(o=-19!,f=-12!) USER MOD Single : A 20 THR OG1 : rot 117:sc= -0.377! USER MOD Single : A 24 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.32) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -54:sc= 1.13 USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= 1.08 (180deg=0.016) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 12:sc= -6.9! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0.219 (180deg=0.202) USER MOD Single : A 51 MET CE :methyl -160:sc= -4.96! (180deg=-6.47!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 59 SER OG : rot 180:sc= -0.151 USER MOD Single : A 62 THR OG1 : rot 130:sc= -8.53! USER MOD Single : A 74 MET CE :methyl -156:sc= -3.14! (180deg=-5.31!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -9.11! C(o=-9.1!,f=-10!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -1.695 -9.638 -9.135 1.00 1.00 N ATOM 19 CA GLU A 2 -2.462 -8.495 -9.601 1.00 1.00 C ATOM 20 C GLU A 2 -2.108 -7.250 -8.785 1.00 1.00 C ATOM 21 O GLU A 2 -2.017 -7.312 -7.560 1.00 1.00 O ATOM 22 CB GLU A 2 -3.963 -8.781 -9.543 1.00 1.00 C ATOM 23 CG GLU A 2 -4.315 -10.033 -10.349 1.00 1.00 C ATOM 24 CD GLU A 2 -5.724 -9.929 -10.937 1.00 1.00 C ATOM 25 OE1 GLU A 2 -6.015 -8.866 -11.527 1.00 1.00 O ATOM 26 OE2 GLU A 2 -6.478 -10.913 -10.783 1.00 1.00 O ATOM 0 HA GLU A 2 -2.202 -8.308 -10.643 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -4.272 -8.913 -8.506 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -4.515 -7.926 -9.933 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -3.591 -10.168 -11.152 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -4.248 -10.913 -9.709 1.00 1.00 H new ATOM 33 N LYS A 3 -1.919 -6.149 -9.497 1.00 1.00 N ATOM 34 CA LYS A 3 -1.577 -4.892 -8.854 1.00 1.00 C ATOM 35 C LYS A 3 -2.782 -3.950 -8.914 1.00 1.00 C ATOM 36 O LYS A 3 -3.612 -4.054 -9.815 1.00 1.00 O ATOM 37 CB LYS A 3 -0.306 -4.303 -9.469 1.00 1.00 C ATOM 38 CG LYS A 3 -0.612 -3.012 -10.231 1.00 1.00 C ATOM 39 CD LYS A 3 0.536 -2.647 -11.174 1.00 1.00 C ATOM 40 CE LYS A 3 0.663 -3.669 -12.305 1.00 1.00 C ATOM 41 NZ LYS A 3 0.939 -2.989 -13.590 1.00 1.00 N ATOM 0 H LYS A 3 -1.996 -6.101 -10.513 1.00 1.00 H new ATOM 0 HA LYS A 3 -1.348 -5.053 -7.801 1.00 1.00 H new ATOM 0 HB2 LYS A 3 0.423 -4.102 -8.684 1.00 1.00 H new ATOM 0 HB3 LYS A 3 0.146 -5.030 -10.144 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -1.532 -3.132 -10.802 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -0.779 -2.199 -9.524 1.00 1.00 H new ATOM 0 HD2 LYS A 3 0.366 -1.655 -11.593 1.00 1.00 H new ATOM 0 HD3 LYS A 3 1.470 -2.601 -10.614 1.00 1.00 H new ATOM 0 HE2 LYS A 3 1.465 -4.372 -12.079 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -0.257 -4.249 -12.384 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 1.022 -3.697 -14.347 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 0.161 -2.336 -13.811 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 1.828 -2.455 -13.516 1.00 1.00 H new ATOM 55 N LYS A 4 -2.839 -3.052 -7.941 1.00 1.00 N ATOM 56 CA LYS A 4 -3.928 -2.093 -7.871 1.00 1.00 C ATOM 57 C LYS A 4 -3.363 -0.709 -7.544 1.00 1.00 C ATOM 58 O LYS A 4 -2.865 -0.483 -6.442 1.00 1.00 O ATOM 59 CB LYS A 4 -4.999 -2.568 -6.887 1.00 1.00 C ATOM 60 CG LYS A 4 -6.306 -1.800 -7.086 1.00 1.00 C ATOM 61 CD LYS A 4 -7.009 -2.237 -8.373 1.00 1.00 C ATOM 62 CE LYS A 4 -8.255 -1.388 -8.634 1.00 1.00 C ATOM 63 NZ LYS A 4 -8.943 -1.840 -9.863 1.00 1.00 N ATOM 0 H LYS A 4 -2.149 -2.969 -7.195 1.00 1.00 H new ATOM 0 HA LYS A 4 -4.428 -2.014 -8.836 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -5.176 -3.635 -7.024 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -4.645 -2.432 -5.865 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -6.964 -1.968 -6.233 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -6.101 -0.730 -7.125 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -6.322 -2.149 -9.215 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -7.290 -3.288 -8.299 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -8.934 -1.457 -7.784 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -7.974 -0.340 -8.733 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -9.786 -1.253 -10.025 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -8.298 -1.751 -10.674 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -9.229 -2.834 -9.755 1.00 1.00 H new ATOM 77 N GLU A 5 -3.459 0.181 -8.521 1.00 1.00 N ATOM 78 CA GLU A 5 -2.964 1.536 -8.351 1.00 1.00 C ATOM 79 C GLU A 5 -3.992 2.386 -7.602 1.00 1.00 C ATOM 80 O GLU A 5 -5.166 2.027 -7.530 1.00 1.00 O ATOM 81 CB GLU A 5 -2.611 2.164 -9.700 1.00 1.00 C ATOM 82 CG GLU A 5 -1.775 1.205 -10.550 1.00 1.00 C ATOM 83 CD GLU A 5 -2.559 0.736 -11.778 1.00 1.00 C ATOM 84 OE1 GLU A 5 -3.243 1.594 -12.375 1.00 1.00 O ATOM 85 OE2 GLU A 5 -2.455 -0.470 -12.090 1.00 1.00 O ATOM 0 H GLU A 5 -3.873 -0.010 -9.434 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.051 1.497 -7.756 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -3.525 2.426 -10.233 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -2.059 3.090 -9.541 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -0.857 1.700 -10.867 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -1.481 0.343 -9.950 1.00 1.00 H new ATOM 92 N PHE A 6 -3.513 3.498 -7.063 1.00 1.00 N ATOM 93 CA PHE A 6 -4.376 4.403 -6.323 1.00 1.00 C ATOM 94 C PHE A 6 -3.715 5.772 -6.149 1.00 1.00 C ATOM 95 O PHE A 6 -2.617 6.003 -6.653 1.00 1.00 O ATOM 96 CB PHE A 6 -4.599 3.779 -4.943 1.00 1.00 C ATOM 97 CG PHE A 6 -5.233 2.388 -4.984 1.00 1.00 C ATOM 98 CD1 PHE A 6 -6.582 2.259 -5.099 1.00 1.00 C ATOM 99 CD2 PHE A 6 -4.448 1.280 -4.907 1.00 1.00 C ATOM 100 CE1 PHE A 6 -7.171 0.967 -5.137 1.00 1.00 C ATOM 101 CE2 PHE A 6 -5.037 -0.012 -4.945 1.00 1.00 C ATOM 102 CZ PHE A 6 -6.386 -0.141 -5.060 1.00 1.00 C ATOM 0 H PHE A 6 -2.538 3.793 -7.124 1.00 1.00 H new ATOM 0 HA PHE A 6 -5.313 4.547 -6.861 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -3.642 3.716 -4.425 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -5.236 4.440 -4.355 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -7.205 3.139 -5.161 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -3.377 1.383 -4.817 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -8.242 0.864 -5.227 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -4.414 -0.892 -4.883 1.00 1.00 H new ATOM 0 HZ PHE A 6 -6.834 -1.123 -5.090 1.00 1.00 H new ATOM 112 N HIS A 7 -4.412 6.644 -5.435 1.00 1.00 N ATOM 113 CA HIS A 7 -3.907 7.984 -5.190 1.00 1.00 C ATOM 114 C HIS A 7 -4.318 8.438 -3.788 1.00 1.00 C ATOM 115 O HIS A 7 -5.443 8.192 -3.356 1.00 1.00 O ATOM 116 CB HIS A 7 -4.369 8.948 -6.284 1.00 1.00 C ATOM 117 CG HIS A 7 -4.714 10.329 -5.781 1.00 1.00 C ATOM 118 ND1 HIS A 7 -4.150 11.480 -6.302 1.00 1.00 N ATOM 119 CD2 HIS A 7 -5.572 10.731 -4.799 1.00 1.00 C ATOM 120 CE1 HIS A 7 -4.652 12.522 -5.655 1.00 1.00 C ATOM 121 NE2 HIS A 7 -5.533 12.055 -4.724 1.00 1.00 N ATOM 0 H HIS A 7 -5.322 6.448 -5.018 1.00 1.00 H new ATOM 0 HA HIS A 7 -2.818 7.978 -5.229 1.00 1.00 H new ATOM 0 HB2 HIS A 7 -3.584 9.032 -7.035 1.00 1.00 H new ATOM 0 HB3 HIS A 7 -5.242 8.525 -6.781 1.00 1.00 H new ATOM 0 HD2 HIS A 7 -6.180 10.081 -4.187 1.00 1.00 H new ATOM 0 HE1 HIS A 7 -4.407 13.559 -5.833 1.00 1.00 H new ATOM 0 HE2 HIS A 7 -6.073 12.629 -4.077 1.00 1.00 H new ATOM 129 N ILE A 8 -3.382 9.093 -3.115 1.00 1.00 N ATOM 130 CA ILE A 8 -3.633 9.583 -1.770 1.00 1.00 C ATOM 131 C ILE A 8 -4.683 10.695 -1.825 1.00 1.00 C ATOM 132 O ILE A 8 -4.505 11.687 -2.531 1.00 1.00 O ATOM 133 CB ILE A 8 -2.323 10.007 -1.102 1.00 1.00 C ATOM 134 CG1 ILE A 8 -1.338 8.838 -1.039 1.00 1.00 C ATOM 135 CG2 ILE A 8 -2.583 10.613 0.279 1.00 1.00 C ATOM 136 CD1 ILE A 8 -2.076 7.500 -0.971 1.00 1.00 C ATOM 0 H ILE A 8 -2.450 9.295 -3.476 1.00 1.00 H new ATOM 0 HA ILE A 8 -4.041 8.789 -1.145 1.00 1.00 H new ATOM 0 HB ILE A 8 -1.863 10.784 -1.713 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -0.691 8.856 -1.916 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -0.695 8.947 -0.166 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -1.636 10.906 0.732 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.223 11.490 0.177 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.076 9.876 0.913 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -1.352 6.687 -0.927 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -2.704 7.475 -0.080 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.700 7.383 -1.857 1.00 1.00 H new ATOM 148 N VAL A 9 -5.753 10.492 -1.072 1.00 1.00 N ATOM 149 CA VAL A 9 -6.832 11.465 -1.026 1.00 1.00 C ATOM 150 C VAL A 9 -6.954 12.017 0.396 1.00 1.00 C ATOM 151 O VAL A 9 -7.865 12.790 0.689 1.00 1.00 O ATOM 152 CB VAL A 9 -8.128 10.833 -1.536 1.00 1.00 C ATOM 153 CG1 VAL A 9 -8.061 10.584 -3.044 1.00 1.00 C ATOM 154 CG2 VAL A 9 -8.443 9.540 -0.780 1.00 1.00 C ATOM 0 H VAL A 9 -5.897 9.668 -0.488 1.00 1.00 H new ATOM 0 HA VAL A 9 -6.616 12.307 -1.684 1.00 1.00 H new ATOM 0 HB VAL A 9 -8.939 11.536 -1.349 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -8.995 10.134 -3.380 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -7.907 11.530 -3.563 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.233 9.910 -3.265 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -9.369 9.111 -1.162 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.629 8.829 -0.921 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.555 9.758 0.282 1.00 1.00 H new ATOM 164 N ALA A 10 -6.025 11.597 1.242 1.00 1.00 N ATOM 165 CA ALA A 10 -6.017 12.040 2.626 1.00 1.00 C ATOM 166 C ALA A 10 -5.261 13.366 2.728 1.00 1.00 C ATOM 167 O ALA A 10 -5.420 14.102 3.701 1.00 1.00 O ATOM 168 CB ALA A 10 -5.406 10.950 3.507 1.00 1.00 C ATOM 0 H ALA A 10 -5.272 10.954 0.996 1.00 1.00 H new ATOM 0 HA ALA A 10 -7.033 12.213 2.980 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -5.400 11.282 4.545 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -5.998 10.039 3.421 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -4.384 10.751 3.184 1.00 1.00 H new ATOM 174 N GLU A 11 -4.453 13.630 1.712 1.00 1.00 N ATOM 175 CA GLU A 11 -3.672 14.855 1.675 1.00 1.00 C ATOM 176 C GLU A 11 -3.013 15.104 3.033 1.00 1.00 C ATOM 177 O GLU A 11 -2.586 16.220 3.325 1.00 1.00 O ATOM 178 CB GLU A 11 -4.537 16.046 1.259 1.00 1.00 C ATOM 179 CG GLU A 11 -5.587 16.360 2.327 1.00 1.00 C ATOM 180 CD GLU A 11 -6.288 17.688 2.032 1.00 1.00 C ATOM 181 OE1 GLU A 11 -5.683 18.498 1.297 1.00 1.00 O ATOM 182 OE2 GLU A 11 -7.412 17.863 2.548 1.00 1.00 O ATOM 0 H GLU A 11 -4.322 13.016 0.908 1.00 1.00 H new ATOM 0 HA GLU A 11 -2.888 14.740 0.927 1.00 1.00 H new ATOM 0 HB2 GLU A 11 -3.906 16.920 1.097 1.00 1.00 H new ATOM 0 HB3 GLU A 11 -5.030 15.829 0.312 1.00 1.00 H new ATOM 0 HG2 GLU A 11 -6.323 15.557 2.366 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -5.112 16.405 3.307 1.00 1.00 H new ATOM 189 N THR A 12 -2.950 14.046 3.828 1.00 1.00 N ATOM 190 CA THR A 12 -2.350 14.136 5.148 1.00 1.00 C ATOM 191 C THR A 12 -0.824 14.141 5.041 1.00 1.00 C ATOM 192 O THR A 12 -0.173 15.101 5.450 1.00 1.00 O ATOM 193 CB THR A 12 -2.895 12.984 5.995 1.00 1.00 C ATOM 194 OG1 THR A 12 -3.033 13.546 7.298 1.00 1.00 O ATOM 195 CG2 THR A 12 -1.875 11.859 6.180 1.00 1.00 C ATOM 0 H THR A 12 -3.305 13.122 3.583 1.00 1.00 H new ATOM 0 HA THR A 12 -2.614 15.073 5.639 1.00 1.00 H new ATOM 0 HB THR A 12 -3.795 12.584 5.527 1.00 1.00 H new ATOM 0 HG1 THR A 12 -3.659 13.005 7.823 1.00 1.00 H new ATOM 0 HG21 THR A 12 -2.313 11.067 6.788 1.00 1.00 H new ATOM 0 HG22 THR A 12 -1.597 11.456 5.206 1.00 1.00 H new ATOM 0 HG23 THR A 12 -0.988 12.250 6.678 1.00 1.00 H new ATOM 203 N GLY A 13 -0.297 13.058 4.490 1.00 1.00 N ATOM 204 CA GLY A 13 1.140 12.925 4.324 1.00 1.00 C ATOM 205 C GLY A 13 1.593 11.488 4.590 1.00 1.00 C ATOM 206 O GLY A 13 2.755 11.250 4.914 1.00 1.00 O ATOM 0 H GLY A 13 -0.840 12.263 4.152 1.00 1.00 H new ATOM 0 HA2 GLY A 13 1.421 13.217 3.312 1.00 1.00 H new ATOM 0 HA3 GLY A 13 1.653 13.604 5.006 1.00 1.00 H new ATOM 210 N ILE A 14 0.651 10.568 4.444 1.00 1.00 N ATOM 211 CA ILE A 14 0.938 9.161 4.664 1.00 1.00 C ATOM 212 C ILE A 14 1.984 9.026 5.773 1.00 1.00 C ATOM 213 O ILE A 14 3.144 8.719 5.503 1.00 1.00 O ATOM 214 CB ILE A 14 1.342 8.485 3.353 1.00 1.00 C ATOM 215 CG1 ILE A 14 0.120 8.230 2.468 1.00 1.00 C ATOM 216 CG2 ILE A 14 2.135 7.204 3.618 1.00 1.00 C ATOM 217 CD1 ILE A 14 -0.909 9.352 2.619 1.00 1.00 C ATOM 0 H ILE A 14 -0.312 10.770 4.176 1.00 1.00 H new ATOM 0 HA ILE A 14 0.043 8.638 5.003 1.00 1.00 H new ATOM 0 HB ILE A 14 1.999 9.163 2.808 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.431 8.154 1.426 1.00 1.00 H new ATOM 0 HG13 ILE A 14 -0.335 7.276 2.735 1.00 1.00 H new ATOM 0 HG21 ILE A 14 2.410 6.743 2.669 1.00 1.00 H new ATOM 0 HG22 ILE A 14 3.038 7.445 4.179 1.00 1.00 H new ATOM 0 HG23 ILE A 14 1.523 6.510 4.195 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -1.768 9.147 1.980 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -1.235 9.409 3.657 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -0.458 10.301 2.328 1.00 1.00 H new ATOM 229 N HIS A 15 1.536 9.263 6.997 1.00 1.00 N ATOM 230 CA HIS A 15 2.418 9.172 8.148 1.00 1.00 C ATOM 231 C HIS A 15 2.243 7.810 8.822 1.00 1.00 C ATOM 232 O HIS A 15 1.411 7.008 8.402 1.00 1.00 O ATOM 233 CB HIS A 15 2.184 10.342 9.106 1.00 1.00 C ATOM 234 CG HIS A 15 0.751 10.814 9.161 1.00 1.00 C ATOM 235 ND1 HIS A 15 -0.175 10.296 10.049 1.00 1.00 N ATOM 236 CD2 HIS A 15 0.096 11.761 8.430 1.00 1.00 C ATOM 237 CE1 HIS A 15 -1.333 10.910 9.852 1.00 1.00 C ATOM 238 NE2 HIS A 15 -1.163 11.818 8.848 1.00 1.00 N ATOM 0 H HIS A 15 0.573 9.518 7.217 1.00 1.00 H new ATOM 0 HA HIS A 15 3.456 9.247 7.822 1.00 1.00 H new ATOM 0 HB2 HIS A 15 2.497 10.046 10.107 1.00 1.00 H new ATOM 0 HB3 HIS A 15 2.819 11.176 8.807 1.00 1.00 H new ATOM 0 HD2 HIS A 15 0.528 12.363 7.644 1.00 1.00 H new ATOM 0 HE1 HIS A 15 -2.250 10.724 10.391 1.00 1.00 H new ATOM 0 HE2 HIS A 15 -1.884 12.438 8.479 1.00 1.00 H new ATOM 246 N ALA A 16 3.041 7.591 9.857 1.00 1.00 N ATOM 247 CA ALA A 16 2.985 6.340 10.594 1.00 1.00 C ATOM 248 C ALA A 16 1.524 5.922 10.769 1.00 1.00 C ATOM 249 O ALA A 16 1.208 4.733 10.749 1.00 1.00 O ATOM 250 CB ALA A 16 3.710 6.502 11.931 1.00 1.00 C ATOM 0 H ALA A 16 3.730 8.259 10.203 1.00 1.00 H new ATOM 0 HA ALA A 16 3.491 5.547 10.044 1.00 1.00 H new ATOM 0 HB1 ALA A 16 3.668 5.564 12.484 1.00 1.00 H new ATOM 0 HB2 ALA A 16 4.751 6.770 11.750 1.00 1.00 H new ATOM 0 HB3 ALA A 16 3.229 7.288 12.513 1.00 1.00 H new ATOM 256 N ARG A 17 0.671 6.922 10.938 1.00 1.00 N ATOM 257 CA ARG A 17 -0.749 6.673 11.117 1.00 1.00 C ATOM 258 C ARG A 17 -1.343 6.053 9.850 1.00 1.00 C ATOM 259 O ARG A 17 -1.645 4.861 9.821 1.00 1.00 O ATOM 260 CB ARG A 17 -1.498 7.966 11.443 1.00 1.00 C ATOM 261 CG ARG A 17 -1.717 8.108 12.951 1.00 1.00 C ATOM 262 CD ARG A 17 -0.382 8.225 13.689 1.00 1.00 C ATOM 263 NE ARG A 17 -0.124 9.638 14.047 1.00 1.00 N ATOM 264 CZ ARG A 17 0.655 10.025 15.066 1.00 1.00 C ATOM 265 NH1 ARG A 17 1.256 9.107 15.836 1.00 1.00 N ATOM 266 NH2 ARG A 17 0.832 11.329 15.317 1.00 1.00 N ATOM 0 H ARG A 17 0.937 7.907 10.955 1.00 1.00 H new ATOM 0 HA ARG A 17 -0.862 5.981 11.952 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -0.933 8.821 11.072 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -2.460 7.973 10.930 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -2.327 8.989 13.152 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -2.269 7.246 13.325 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -0.400 7.611 14.589 1.00 1.00 H new ATOM 0 HD3 ARG A 17 0.425 7.847 13.061 1.00 1.00 H new ATOM 0 HE ARG A 17 -0.567 10.363 13.482 1.00 1.00 H new ATOM 0 HH11 ARG A 17 1.120 8.114 15.646 1.00 1.00 H new ATOM 0 HH12 ARG A 17 1.849 9.401 16.612 1.00 1.00 H new ATOM 0 HH21 ARG A 17 0.374 12.028 14.732 1.00 1.00 H new ATOM 0 HH22 ARG A 17 1.425 11.623 16.093 1.00 1.00 H new ATOM 280 N PRO A 18 -1.497 6.912 8.807 1.00 1.00 N ATOM 281 CA PRO A 18 -2.049 6.462 7.541 1.00 1.00 C ATOM 282 C PRO A 18 -1.024 5.640 6.758 1.00 1.00 C ATOM 283 O PRO A 18 -1.391 4.741 6.002 1.00 1.00 O ATOM 284 CB PRO A 18 -2.468 7.732 6.820 1.00 1.00 C ATOM 285 CG PRO A 18 -1.716 8.865 7.500 1.00 1.00 C ATOM 286 CD PRO A 18 -1.150 8.330 8.806 1.00 1.00 C ATOM 0 HA PRO A 18 -2.900 5.793 7.667 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -2.220 7.679 5.760 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -3.545 7.882 6.888 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -0.915 9.231 6.858 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -2.383 9.706 7.689 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -0.071 8.474 8.858 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -1.582 8.844 9.665 1.00 1.00 H new ATOM 294 N ALA A 19 0.240 5.977 6.964 1.00 1.00 N ATOM 295 CA ALA A 19 1.321 5.281 6.286 1.00 1.00 C ATOM 296 C ALA A 19 1.239 3.787 6.605 1.00 1.00 C ATOM 297 O ALA A 19 1.205 2.957 5.698 1.00 1.00 O ATOM 298 CB ALA A 19 2.661 5.893 6.699 1.00 1.00 C ATOM 0 H ALA A 19 0.541 6.723 7.591 1.00 1.00 H new ATOM 0 HA ALA A 19 1.231 5.393 5.205 1.00 1.00 H new ATOM 0 HB1 ALA A 19 3.472 5.371 6.191 1.00 1.00 H new ATOM 0 HB2 ALA A 19 2.680 6.948 6.424 1.00 1.00 H new ATOM 0 HB3 ALA A 19 2.788 5.797 7.777 1.00 1.00 H new ATOM 304 N THR A 20 1.210 3.491 7.896 1.00 1.00 N ATOM 305 CA THR A 20 1.132 2.112 8.345 1.00 1.00 C ATOM 306 C THR A 20 -0.258 1.537 8.068 1.00 1.00 C ATOM 307 O THR A 20 -0.393 0.362 7.732 1.00 1.00 O ATOM 308 CB THR A 20 1.522 2.074 9.825 1.00 1.00 C ATOM 309 OG1 THR A 20 2.407 3.180 9.979 1.00 1.00 O ATOM 310 CG2 THR A 20 2.381 0.857 10.173 1.00 1.00 C ATOM 0 H THR A 20 1.239 4.183 8.645 1.00 1.00 H new ATOM 0 HA THR A 20 1.826 1.477 7.794 1.00 1.00 H new ATOM 0 HB THR A 20 0.621 2.069 10.438 1.00 1.00 H new ATOM 0 HG1 THR A 20 2.014 3.830 10.598 1.00 1.00 H new ATOM 0 HG21 THR A 20 2.630 0.879 11.234 1.00 1.00 H new ATOM 0 HG22 THR A 20 1.828 -0.055 9.948 1.00 1.00 H new ATOM 0 HG23 THR A 20 3.298 0.879 9.585 1.00 1.00 H new ATOM 318 N LEU A 21 -1.258 2.394 8.219 1.00 1.00 N ATOM 319 CA LEU A 21 -2.634 1.986 7.990 1.00 1.00 C ATOM 320 C LEU A 21 -2.692 1.069 6.766 1.00 1.00 C ATOM 321 O LEU A 21 -3.240 -0.030 6.836 1.00 1.00 O ATOM 322 CB LEU A 21 -3.544 3.211 7.883 1.00 1.00 C ATOM 323 CG LEU A 21 -5.035 2.962 8.125 1.00 1.00 C ATOM 324 CD1 LEU A 21 -5.855 4.221 7.839 1.00 1.00 C ATOM 325 CD2 LEU A 21 -5.528 1.761 7.315 1.00 1.00 C ATOM 0 H LEU A 21 -1.143 3.369 8.497 1.00 1.00 H new ATOM 0 HA LEU A 21 -3.008 1.412 8.838 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -3.200 3.958 8.598 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -3.424 3.642 6.889 1.00 1.00 H new ATOM 0 HG LEU A 21 -5.174 2.720 9.179 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -6.910 4.016 8.019 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -5.525 5.027 8.494 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -5.715 4.518 6.800 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -6.590 1.605 7.505 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -5.373 1.950 6.253 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -4.973 0.871 7.610 1.00 1.00 H new ATOM 337 N LEU A 22 -2.119 1.554 5.675 1.00 1.00 N ATOM 338 CA LEU A 22 -2.098 0.791 4.438 1.00 1.00 C ATOM 339 C LEU A 22 -1.117 -0.374 4.579 1.00 1.00 C ATOM 340 O LEU A 22 -1.476 -1.526 4.339 1.00 1.00 O ATOM 341 CB LEU A 22 -1.800 1.706 3.249 1.00 1.00 C ATOM 342 CG LEU A 22 -0.619 2.664 3.419 1.00 1.00 C ATOM 343 CD1 LEU A 22 0.527 2.295 2.475 1.00 1.00 C ATOM 344 CD2 LEU A 22 -1.063 4.118 3.242 1.00 1.00 C ATOM 0 H LEU A 22 -1.665 2.466 5.621 1.00 1.00 H new ATOM 0 HA LEU A 22 -3.079 0.359 4.240 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -1.614 1.083 2.374 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -2.692 2.295 3.037 1.00 1.00 H new ATOM 0 HG LEU A 22 -0.242 2.564 4.437 1.00 1.00 H new ATOM 0 HD11 LEU A 22 1.353 2.992 2.616 1.00 1.00 H new ATOM 0 HD12 LEU A 22 0.865 1.282 2.692 1.00 1.00 H new ATOM 0 HD13 LEU A 22 0.180 2.348 1.443 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -0.205 4.778 3.368 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -1.481 4.252 2.244 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -1.820 4.361 3.988 1.00 1.00 H new ATOM 356 N VAL A 23 0.104 -0.035 4.968 1.00 1.00 N ATOM 357 CA VAL A 23 1.140 -1.038 5.144 1.00 1.00 C ATOM 358 C VAL A 23 0.657 -2.094 6.140 1.00 1.00 C ATOM 359 O VAL A 23 0.817 -3.291 5.907 1.00 1.00 O ATOM 360 CB VAL A 23 2.449 -0.370 5.568 1.00 1.00 C ATOM 361 CG1 VAL A 23 2.499 1.085 5.098 1.00 1.00 C ATOM 362 CG2 VAL A 23 2.647 -0.464 7.082 1.00 1.00 C ATOM 0 H VAL A 23 0.399 0.921 5.166 1.00 1.00 H new ATOM 0 HA VAL A 23 1.342 -1.548 4.202 1.00 1.00 H new ATOM 0 HB VAL A 23 3.269 -0.905 5.089 1.00 1.00 H new ATOM 0 HG11 VAL A 23 3.440 1.537 5.412 1.00 1.00 H new ATOM 0 HG12 VAL A 23 2.426 1.119 4.011 1.00 1.00 H new ATOM 0 HG13 VAL A 23 1.667 1.637 5.535 1.00 1.00 H new ATOM 0 HG21 VAL A 23 3.585 0.018 7.357 1.00 1.00 H new ATOM 0 HG22 VAL A 23 1.820 0.034 7.589 1.00 1.00 H new ATOM 0 HG23 VAL A 23 2.677 -1.512 7.381 1.00 1.00 H new ATOM 372 N GLN A 24 0.076 -1.612 7.229 1.00 1.00 N ATOM 373 CA GLN A 24 -0.431 -2.500 8.262 1.00 1.00 C ATOM 374 C GLN A 24 -1.466 -3.462 7.674 1.00 1.00 C ATOM 375 O GLN A 24 -1.515 -4.632 8.051 1.00 1.00 O ATOM 376 CB GLN A 24 -1.022 -1.704 9.427 1.00 1.00 C ATOM 377 CG GLN A 24 -2.334 -1.030 9.021 1.00 1.00 C ATOM 378 CD GLN A 24 -3.262 -0.865 10.226 1.00 1.00 C ATOM 379 OE1 GLN A 24 -2.839 -0.578 11.333 1.00 1.00 O ATOM 380 NE2 GLN A 24 -4.548 -1.061 9.949 1.00 1.00 N ATOM 0 H GLN A 24 -0.055 -0.618 7.419 1.00 1.00 H new ATOM 0 HA GLN A 24 0.402 -3.086 8.651 1.00 1.00 H new ATOM 0 HB2 GLN A 24 -1.197 -2.368 10.274 1.00 1.00 H new ATOM 0 HB3 GLN A 24 -0.308 -0.949 9.756 1.00 1.00 H new ATOM 0 HG2 GLN A 24 -2.125 -0.054 8.582 1.00 1.00 H new ATOM 0 HG3 GLN A 24 -2.830 -1.625 8.254 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -4.835 -1.299 9.000 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -5.248 -0.973 10.686 1.00 1.00 H new ATOM 389 N THR A 25 -2.266 -2.933 6.760 1.00 1.00 N ATOM 390 CA THR A 25 -3.297 -3.730 6.117 1.00 1.00 C ATOM 391 C THR A 25 -2.718 -4.481 4.916 1.00 1.00 C ATOM 392 O THR A 25 -3.213 -5.546 4.548 1.00 1.00 O ATOM 393 CB THR A 25 -4.455 -2.800 5.751 1.00 1.00 C ATOM 394 OG1 THR A 25 -5.483 -3.144 6.676 1.00 1.00 O ATOM 395 CG2 THR A 25 -5.059 -3.127 4.384 1.00 1.00 C ATOM 0 H THR A 25 -2.221 -1.962 6.449 1.00 1.00 H new ATOM 0 HA THR A 25 -3.679 -4.499 6.789 1.00 1.00 H new ATOM 0 HB THR A 25 -4.106 -1.767 5.756 1.00 1.00 H new ATOM 0 HG1 THR A 25 -6.272 -2.586 6.511 1.00 1.00 H new ATOM 0 HG21 THR A 25 -5.877 -2.438 4.173 1.00 1.00 H new ATOM 0 HG22 THR A 25 -4.293 -3.028 3.615 1.00 1.00 H new ATOM 0 HG23 THR A 25 -5.438 -4.149 4.389 1.00 1.00 H new ATOM 403 N ALA A 26 -1.678 -3.897 4.339 1.00 1.00 N ATOM 404 CA ALA A 26 -1.027 -4.498 3.187 1.00 1.00 C ATOM 405 C ALA A 26 0.007 -5.519 3.666 1.00 1.00 C ATOM 406 O ALA A 26 0.179 -6.570 3.051 1.00 1.00 O ATOM 407 CB ALA A 26 -0.405 -3.400 2.322 1.00 1.00 C ATOM 0 H ALA A 26 -1.270 -3.014 4.647 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.752 -5.028 2.569 1.00 1.00 H new ATOM 0 HB1 ALA A 26 0.083 -3.850 1.458 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -1.185 -2.718 1.983 1.00 1.00 H new ATOM 0 HB3 ALA A 26 0.330 -2.848 2.908 1.00 1.00 H new ATOM 413 N SER A 27 0.669 -5.174 4.761 1.00 1.00 N ATOM 414 CA SER A 27 1.681 -6.047 5.330 1.00 1.00 C ATOM 415 C SER A 27 1.044 -6.991 6.352 1.00 1.00 C ATOM 416 O SER A 27 1.576 -7.179 7.445 1.00 1.00 O ATOM 417 CB SER A 27 2.803 -5.237 5.983 1.00 1.00 C ATOM 418 OG SER A 27 3.750 -6.073 6.643 1.00 1.00 O ATOM 0 H SER A 27 0.524 -4.302 5.269 1.00 1.00 H new ATOM 0 HA SER A 27 2.117 -6.636 4.523 1.00 1.00 H new ATOM 0 HB2 SER A 27 3.311 -4.643 5.223 1.00 1.00 H new ATOM 0 HB3 SER A 27 2.375 -4.537 6.701 1.00 1.00 H new ATOM 0 HG SER A 27 3.285 -6.653 7.281 1.00 1.00 H new ATOM 424 N LYS A 28 -0.087 -7.560 5.960 1.00 1.00 N ATOM 425 CA LYS A 28 -0.802 -8.479 6.828 1.00 1.00 C ATOM 426 C LYS A 28 -1.523 -9.524 5.974 1.00 1.00 C ATOM 427 O LYS A 28 -2.472 -10.158 6.433 1.00 1.00 O ATOM 428 CB LYS A 28 -1.729 -7.712 7.774 1.00 1.00 C ATOM 429 CG LYS A 28 -2.628 -6.748 6.998 1.00 1.00 C ATOM 430 CD LYS A 28 -3.779 -7.496 6.321 1.00 1.00 C ATOM 431 CE LYS A 28 -4.755 -8.054 7.358 1.00 1.00 C ATOM 432 NZ LYS A 28 -4.684 -9.532 7.395 1.00 1.00 N ATOM 0 H LYS A 28 -0.525 -7.402 5.053 1.00 1.00 H new ATOM 0 HA LYS A 28 -0.104 -9.017 7.470 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.343 -8.415 8.336 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -1.135 -7.157 8.500 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.028 -5.994 7.675 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -2.040 -6.222 6.246 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -4.307 -6.823 5.645 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -3.382 -8.310 5.715 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -4.520 -7.648 8.342 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -5.770 -7.739 7.117 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -5.025 -9.873 8.316 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -5.278 -9.927 6.638 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -3.699 -9.836 7.257 1.00 1.00 H new ATOM 446 N PHE A 29 -1.045 -9.671 4.747 1.00 1.00 N ATOM 447 CA PHE A 29 -1.632 -10.628 3.825 1.00 1.00 C ATOM 448 C PHE A 29 -0.621 -11.709 3.439 1.00 1.00 C ATOM 449 O PHE A 29 0.565 -11.425 3.275 1.00 1.00 O ATOM 450 CB PHE A 29 -2.034 -9.850 2.570 1.00 1.00 C ATOM 451 CG PHE A 29 -3.043 -8.730 2.828 1.00 1.00 C ATOM 452 CD1 PHE A 29 -4.078 -8.932 3.688 1.00 1.00 C ATOM 453 CD2 PHE A 29 -2.907 -7.533 2.198 1.00 1.00 C ATOM 454 CE1 PHE A 29 -5.015 -7.892 3.928 1.00 1.00 C ATOM 455 CE2 PHE A 29 -3.843 -6.493 2.438 1.00 1.00 C ATOM 456 CZ PHE A 29 -4.878 -6.694 3.298 1.00 1.00 C ATOM 0 H PHE A 29 -0.258 -9.143 4.370 1.00 1.00 H new ATOM 0 HA PHE A 29 -2.487 -11.118 4.291 1.00 1.00 H new ATOM 0 HB2 PHE A 29 -1.139 -9.422 2.118 1.00 1.00 H new ATOM 0 HB3 PHE A 29 -2.456 -10.545 1.844 1.00 1.00 H new ATOM 0 HD1 PHE A 29 -4.187 -9.883 4.188 1.00 1.00 H new ATOM 0 HD2 PHE A 29 -2.086 -7.373 1.514 1.00 1.00 H new ATOM 0 HE1 PHE A 29 -5.836 -8.052 4.611 1.00 1.00 H new ATOM 0 HE2 PHE A 29 -3.734 -5.542 1.938 1.00 1.00 H new ATOM 0 HZ PHE A 29 -5.590 -5.903 3.480 1.00 1.00 H new ATOM 466 N ASN A 30 -1.126 -12.926 3.305 1.00 1.00 N ATOM 467 CA ASN A 30 -0.282 -14.051 2.942 1.00 1.00 C ATOM 468 C ASN A 30 0.147 -13.910 1.480 1.00 1.00 C ATOM 469 O ASN A 30 0.851 -14.769 0.950 1.00 1.00 O ATOM 470 CB ASN A 30 -1.034 -15.375 3.088 1.00 1.00 C ATOM 471 CG ASN A 30 -0.794 -15.992 4.467 1.00 1.00 C ATOM 472 OD1 ASN A 30 -1.534 -15.771 5.412 1.00 1.00 O ATOM 473 ND2 ASN A 30 0.278 -16.777 4.530 1.00 1.00 N ATOM 0 H ASN A 30 -2.110 -13.158 3.441 1.00 1.00 H new ATOM 0 HA ASN A 30 0.582 -14.052 3.607 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -2.101 -15.209 2.940 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -0.709 -16.069 2.313 1.00 1.00 H new ATOM 0 HD21 ASN A 30 0.523 -17.236 5.407 1.00 1.00 H new ATOM 0 HD22 ASN A 30 0.855 -16.920 3.701 1.00 1.00 H new ATOM 480 N SER A 31 -0.296 -12.821 0.869 1.00 1.00 N ATOM 481 CA SER A 31 0.033 -12.557 -0.521 1.00 1.00 C ATOM 482 C SER A 31 1.084 -11.449 -0.609 1.00 1.00 C ATOM 483 O SER A 31 1.476 -10.878 0.408 1.00 1.00 O ATOM 484 CB SER A 31 -1.214 -12.169 -1.318 1.00 1.00 C ATOM 485 OG SER A 31 -1.969 -13.309 -1.718 1.00 1.00 O ATOM 0 H SER A 31 -0.880 -12.111 1.311 1.00 1.00 H new ATOM 0 HA SER A 31 0.440 -13.470 -0.955 1.00 1.00 H new ATOM 0 HB2 SER A 31 -1.841 -11.513 -0.714 1.00 1.00 H new ATOM 0 HB3 SER A 31 -0.918 -11.602 -2.201 1.00 1.00 H new ATOM 0 HG SER A 31 -1.642 -14.101 -1.243 1.00 1.00 H new ATOM 491 N ASP A 32 1.511 -11.177 -1.834 1.00 1.00 N ATOM 492 CA ASP A 32 2.510 -10.148 -2.067 1.00 1.00 C ATOM 493 C ASP A 32 1.808 -8.824 -2.375 1.00 1.00 C ATOM 494 O ASP A 32 1.409 -8.578 -3.513 1.00 1.00 O ATOM 495 CB ASP A 32 3.397 -10.502 -3.262 1.00 1.00 C ATOM 496 CG ASP A 32 4.824 -10.923 -2.906 1.00 1.00 C ATOM 497 OD1 ASP A 32 5.052 -11.199 -1.708 1.00 1.00 O ATOM 498 OD2 ASP A 32 5.655 -10.958 -3.839 1.00 1.00 O ATOM 0 H ASP A 32 1.183 -11.652 -2.675 1.00 1.00 H new ATOM 0 HA ASP A 32 3.127 -10.067 -1.172 1.00 1.00 H new ATOM 0 HB2 ASP A 32 2.924 -11.311 -3.819 1.00 1.00 H new ATOM 0 HB3 ASP A 32 3.444 -9.641 -3.928 1.00 1.00 H new ATOM 503 N ILE A 33 1.679 -8.005 -1.342 1.00 1.00 N ATOM 504 CA ILE A 33 1.033 -6.712 -1.488 1.00 1.00 C ATOM 505 C ILE A 33 2.009 -5.609 -1.072 1.00 1.00 C ATOM 506 O ILE A 33 2.568 -5.650 0.023 1.00 1.00 O ATOM 507 CB ILE A 33 -0.290 -6.684 -0.720 1.00 1.00 C ATOM 508 CG1 ILE A 33 -1.166 -5.517 -1.179 1.00 1.00 C ATOM 509 CG2 ILE A 33 -0.047 -6.658 0.791 1.00 1.00 C ATOM 510 CD1 ILE A 33 -0.921 -4.275 -0.319 1.00 1.00 C ATOM 0 H ILE A 33 2.011 -8.212 -0.400 1.00 1.00 H new ATOM 0 HA ILE A 33 0.773 -6.532 -2.531 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.833 -7.602 -0.943 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -0.954 -5.288 -2.223 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -2.217 -5.802 -1.122 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -1.004 -6.638 1.313 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.509 -7.548 1.085 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.527 -5.769 1.052 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -1.556 -3.460 -0.667 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -1.157 -4.500 0.721 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.125 -3.978 -0.398 1.00 1.00 H new ATOM 522 N ASN A 34 2.183 -4.648 -1.968 1.00 1.00 N ATOM 523 CA ASN A 34 3.081 -3.536 -1.708 1.00 1.00 C ATOM 524 C ASN A 34 2.458 -2.247 -2.246 1.00 1.00 C ATOM 525 O ASN A 34 1.383 -2.274 -2.842 1.00 1.00 O ATOM 526 CB ASN A 34 4.426 -3.740 -2.408 1.00 1.00 C ATOM 527 CG ASN A 34 5.089 -5.042 -1.955 1.00 1.00 C ATOM 528 OD1 ASN A 34 4.707 -5.653 -0.970 1.00 1.00 O ATOM 529 ND2 ASN A 34 6.101 -5.431 -2.725 1.00 1.00 N ATOM 0 H ASN A 34 1.717 -4.617 -2.875 1.00 1.00 H new ATOM 0 HA ASN A 34 3.240 -3.475 -0.631 1.00 1.00 H new ATOM 0 HB2 ASN A 34 4.279 -3.760 -3.488 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.084 -2.898 -2.191 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.609 -6.288 -2.505 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.369 -4.873 -3.535 1.00 1.00 H new ATOM 536 N LEU A 35 3.161 -1.147 -2.016 1.00 1.00 N ATOM 537 CA LEU A 35 2.691 0.150 -2.470 1.00 1.00 C ATOM 538 C LEU A 35 3.709 0.744 -3.446 1.00 1.00 C ATOM 539 O LEU A 35 4.915 0.581 -3.266 1.00 1.00 O ATOM 540 CB LEU A 35 2.382 1.056 -1.277 1.00 1.00 C ATOM 541 CG LEU A 35 3.361 2.207 -1.037 1.00 1.00 C ATOM 542 CD1 LEU A 35 3.411 3.145 -2.245 1.00 1.00 C ATOM 543 CD2 LEU A 35 3.023 2.954 0.255 1.00 1.00 C ATOM 0 H LEU A 35 4.053 -1.128 -1.521 1.00 1.00 H new ATOM 0 HA LEU A 35 1.752 0.046 -3.013 1.00 1.00 H new ATOM 0 HB2 LEU A 35 1.385 1.476 -1.414 1.00 1.00 H new ATOM 0 HB3 LEU A 35 2.348 0.441 -0.378 1.00 1.00 H new ATOM 0 HG LEU A 35 4.359 1.787 -0.914 1.00 1.00 H new ATOM 0 HD11 LEU A 35 4.114 3.954 -2.048 1.00 1.00 H new ATOM 0 HD12 LEU A 35 3.735 2.589 -3.125 1.00 1.00 H new ATOM 0 HD13 LEU A 35 2.420 3.561 -2.424 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.734 3.767 0.402 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.015 3.362 0.186 1.00 1.00 H new ATOM 0 HD23 LEU A 35 3.079 2.266 1.098 1.00 1.00 H new ATOM 555 N GLU A 36 3.186 1.422 -4.457 1.00 1.00 N ATOM 556 CA GLU A 36 4.034 2.041 -5.461 1.00 1.00 C ATOM 557 C GLU A 36 3.668 3.517 -5.628 1.00 1.00 C ATOM 558 O GLU A 36 2.556 3.842 -6.043 1.00 1.00 O ATOM 559 CB GLU A 36 3.937 1.298 -6.795 1.00 1.00 C ATOM 560 CG GLU A 36 4.800 1.973 -7.863 1.00 1.00 C ATOM 561 CD GLU A 36 3.937 2.782 -8.834 1.00 1.00 C ATOM 562 OE1 GLU A 36 3.630 3.943 -8.487 1.00 1.00 O ATOM 563 OE2 GLU A 36 3.605 2.222 -9.900 1.00 1.00 O ATOM 0 H GLU A 36 2.185 1.556 -4.602 1.00 1.00 H new ATOM 0 HA GLU A 36 5.068 1.979 -5.123 1.00 1.00 H new ATOM 0 HB2 GLU A 36 4.257 0.264 -6.664 1.00 1.00 H new ATOM 0 HB3 GLU A 36 2.899 1.271 -7.125 1.00 1.00 H new ATOM 0 HG2 GLU A 36 5.529 2.628 -7.386 1.00 1.00 H new ATOM 0 HG3 GLU A 36 5.362 1.218 -8.413 1.00 1.00 H new ATOM 570 N TYR A 37 4.624 4.372 -5.297 1.00 1.00 N ATOM 571 CA TYR A 37 4.416 5.806 -5.405 1.00 1.00 C ATOM 572 C TYR A 37 5.406 6.431 -6.391 1.00 1.00 C ATOM 573 O TYR A 37 6.617 6.277 -6.243 1.00 1.00 O ATOM 574 CB TYR A 37 4.677 6.377 -4.010 1.00 1.00 C ATOM 575 CG TYR A 37 4.765 7.904 -3.968 1.00 1.00 C ATOM 576 CD1 TYR A 37 4.054 8.661 -4.876 1.00 1.00 C ATOM 577 CD2 TYR A 37 5.557 8.523 -3.023 1.00 1.00 C ATOM 578 CE1 TYR A 37 4.137 10.098 -4.837 1.00 1.00 C ATOM 579 CE2 TYR A 37 5.640 9.960 -2.983 1.00 1.00 C ATOM 580 CZ TYR A 37 4.926 10.677 -3.892 1.00 1.00 C ATOM 581 OH TYR A 37 5.005 12.034 -3.855 1.00 1.00 O ATOM 0 H TYR A 37 5.545 4.099 -4.954 1.00 1.00 H new ATOM 0 HA TYR A 37 3.409 6.021 -5.763 1.00 1.00 H new ATOM 0 HB2 TYR A 37 3.881 6.051 -3.341 1.00 1.00 H new ATOM 0 HB3 TYR A 37 5.608 5.959 -3.626 1.00 1.00 H new ATOM 0 HD1 TYR A 37 3.435 8.176 -5.616 1.00 1.00 H new ATOM 0 HD2 TYR A 37 6.115 7.930 -2.313 1.00 1.00 H new ATOM 0 HE1 TYR A 37 3.585 10.702 -5.542 1.00 1.00 H new ATOM 0 HE2 TYR A 37 6.255 10.457 -2.248 1.00 1.00 H new ATOM 0 HH TYR A 37 5.604 12.307 -3.129 1.00 1.00 H new ATOM 591 N LYS A 38 4.853 7.124 -7.376 1.00 1.00 N ATOM 592 CA LYS A 38 5.672 7.773 -8.386 1.00 1.00 C ATOM 593 C LYS A 38 6.227 6.715 -9.342 1.00 1.00 C ATOM 594 O LYS A 38 6.869 7.049 -10.337 1.00 1.00 O ATOM 595 CB LYS A 38 6.751 8.635 -7.729 1.00 1.00 C ATOM 596 CG LYS A 38 6.138 9.597 -6.709 1.00 1.00 C ATOM 597 CD LYS A 38 6.890 10.930 -6.692 1.00 1.00 C ATOM 598 CE LYS A 38 8.268 10.773 -6.047 1.00 1.00 C ATOM 599 NZ LYS A 38 8.822 12.096 -5.681 1.00 1.00 N ATOM 0 H LYS A 38 3.848 7.250 -7.496 1.00 1.00 H new ATOM 0 HA LYS A 38 5.070 8.458 -8.982 1.00 1.00 H new ATOM 0 HB2 LYS A 38 7.483 7.995 -7.236 1.00 1.00 H new ATOM 0 HB3 LYS A 38 7.285 9.201 -8.493 1.00 1.00 H new ATOM 0 HG2 LYS A 38 5.089 9.770 -6.951 1.00 1.00 H new ATOM 0 HG3 LYS A 38 6.166 9.147 -5.717 1.00 1.00 H new ATOM 0 HD2 LYS A 38 7.001 11.302 -7.711 1.00 1.00 H new ATOM 0 HD3 LYS A 38 6.310 11.672 -6.143 1.00 1.00 H new ATOM 0 HE2 LYS A 38 8.191 10.146 -5.159 1.00 1.00 H new ATOM 0 HE3 LYS A 38 8.944 10.267 -6.737 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 9.758 11.972 -5.244 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 8.914 12.682 -6.535 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 8.185 12.565 -5.006 1.00 1.00 H new ATOM 613 N GLY A 39 5.961 5.462 -9.007 1.00 1.00 N ATOM 614 CA GLY A 39 6.426 4.353 -9.823 1.00 1.00 C ATOM 615 C GLY A 39 7.286 3.390 -9.002 1.00 1.00 C ATOM 616 O GLY A 39 7.729 2.361 -9.509 1.00 1.00 O ATOM 0 H GLY A 39 5.429 5.189 -8.181 1.00 1.00 H new ATOM 0 HA2 GLY A 39 5.571 3.819 -10.238 1.00 1.00 H new ATOM 0 HA3 GLY A 39 7.004 4.734 -10.665 1.00 1.00 H new ATOM 620 N LYS A 40 7.497 3.759 -7.747 1.00 1.00 N ATOM 621 CA LYS A 40 8.295 2.941 -6.850 1.00 1.00 C ATOM 622 C LYS A 40 7.371 2.040 -6.029 1.00 1.00 C ATOM 623 O LYS A 40 6.624 2.521 -5.178 1.00 1.00 O ATOM 624 CB LYS A 40 9.213 3.820 -5.997 1.00 1.00 C ATOM 625 CG LYS A 40 9.765 3.039 -4.803 1.00 1.00 C ATOM 626 CD LYS A 40 10.729 3.900 -3.984 1.00 1.00 C ATOM 627 CE LYS A 40 10.389 3.838 -2.494 1.00 1.00 C ATOM 628 NZ LYS A 40 11.009 4.973 -1.773 1.00 1.00 N ATOM 0 H LYS A 40 7.129 4.614 -7.330 1.00 1.00 H new ATOM 0 HA LYS A 40 8.956 2.287 -7.419 1.00 1.00 H new ATOM 0 HB2 LYS A 40 10.037 4.190 -6.607 1.00 1.00 H new ATOM 0 HB3 LYS A 40 8.662 4.691 -5.643 1.00 1.00 H new ATOM 0 HG2 LYS A 40 8.943 2.705 -4.170 1.00 1.00 H new ATOM 0 HG3 LYS A 40 10.280 2.145 -5.155 1.00 1.00 H new ATOM 0 HD2 LYS A 40 11.752 3.558 -4.142 1.00 1.00 H new ATOM 0 HD3 LYS A 40 10.682 4.933 -4.329 1.00 1.00 H new ATOM 0 HE2 LYS A 40 9.307 3.862 -2.360 1.00 1.00 H new ATOM 0 HE3 LYS A 40 10.741 2.896 -2.073 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 10.673 4.984 -0.789 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 12.044 4.868 -1.785 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 10.746 5.865 -2.238 1.00 1.00 H new ATOM 642 N SER A 41 7.451 0.748 -6.313 1.00 1.00 N ATOM 643 CA SER A 41 6.630 -0.225 -5.612 1.00 1.00 C ATOM 644 C SER A 41 7.482 -0.996 -4.602 1.00 1.00 C ATOM 645 O SER A 41 8.427 -1.686 -4.980 1.00 1.00 O ATOM 646 CB SER A 41 5.964 -1.191 -6.592 1.00 1.00 C ATOM 647 OG SER A 41 4.742 -1.715 -6.078 1.00 1.00 O ATOM 0 H SER A 41 8.072 0.352 -7.019 1.00 1.00 H new ATOM 0 HA SER A 41 5.843 0.310 -5.081 1.00 1.00 H new ATOM 0 HB2 SER A 41 5.770 -0.676 -7.533 1.00 1.00 H new ATOM 0 HB3 SER A 41 6.646 -2.012 -6.812 1.00 1.00 H new ATOM 0 HG SER A 41 4.741 -2.691 -6.167 1.00 1.00 H new ATOM 653 N VAL A 42 7.117 -0.853 -3.336 1.00 1.00 N ATOM 654 CA VAL A 42 7.836 -1.528 -2.269 1.00 1.00 C ATOM 655 C VAL A 42 6.858 -1.882 -1.146 1.00 1.00 C ATOM 656 O VAL A 42 5.888 -1.163 -0.913 1.00 1.00 O ATOM 657 CB VAL A 42 9.003 -0.660 -1.794 1.00 1.00 C ATOM 658 CG1 VAL A 42 9.622 0.113 -2.960 1.00 1.00 C ATOM 659 CG2 VAL A 42 8.561 0.290 -0.679 1.00 1.00 C ATOM 0 H VAL A 42 6.333 -0.280 -3.025 1.00 1.00 H new ATOM 0 HA VAL A 42 8.268 -2.461 -2.630 1.00 1.00 H new ATOM 0 HB VAL A 42 9.768 -1.321 -1.387 1.00 1.00 H new ATOM 0 HG11 VAL A 42 10.449 0.722 -2.595 1.00 1.00 H new ATOM 0 HG12 VAL A 42 9.991 -0.590 -3.707 1.00 1.00 H new ATOM 0 HG13 VAL A 42 8.868 0.758 -3.410 1.00 1.00 H new ATOM 0 HG21 VAL A 42 9.409 0.895 -0.359 1.00 1.00 H new ATOM 0 HG22 VAL A 42 7.769 0.941 -1.049 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.190 -0.289 0.166 1.00 1.00 H new ATOM 669 N ASN A 43 7.148 -2.990 -0.481 1.00 1.00 N ATOM 670 CA ASN A 43 6.307 -3.448 0.612 1.00 1.00 C ATOM 671 C ASN A 43 5.914 -2.254 1.483 1.00 1.00 C ATOM 672 O ASN A 43 6.592 -1.946 2.463 1.00 1.00 O ATOM 673 CB ASN A 43 7.050 -4.453 1.495 1.00 1.00 C ATOM 674 CG ASN A 43 8.008 -5.310 0.664 1.00 1.00 C ATOM 675 OD1 ASN A 43 7.611 -6.215 -0.051 1.00 1.00 O ATOM 676 ND2 ASN A 43 9.288 -4.974 0.798 1.00 1.00 N ATOM 0 H ASN A 43 7.953 -3.584 -0.678 1.00 1.00 H new ATOM 0 HA ASN A 43 5.427 -3.927 0.182 1.00 1.00 H new ATOM 0 HB2 ASN A 43 7.608 -3.922 2.267 1.00 1.00 H new ATOM 0 HB3 ASN A 43 6.332 -5.095 2.005 1.00 1.00 H new ATOM 0 HD21 ASN A 43 10.006 -5.485 0.285 1.00 1.00 H new ATOM 0 HD22 ASN A 43 9.552 -4.205 1.414 1.00 1.00 H new ATOM 683 N LEU A 44 4.821 -1.613 1.095 1.00 1.00 N ATOM 684 CA LEU A 44 4.330 -0.459 1.829 1.00 1.00 C ATOM 685 C LEU A 44 4.915 -0.472 3.243 1.00 1.00 C ATOM 686 O LEU A 44 5.300 0.571 3.769 1.00 1.00 O ATOM 687 CB LEU A 44 2.801 -0.414 1.796 1.00 1.00 C ATOM 688 CG LEU A 44 2.116 -1.497 0.960 1.00 1.00 C ATOM 689 CD1 LEU A 44 2.396 -2.889 1.529 1.00 1.00 C ATOM 690 CD2 LEU A 44 0.617 -1.222 0.829 1.00 1.00 C ATOM 0 H LEU A 44 4.262 -1.871 0.282 1.00 1.00 H new ATOM 0 HA LEU A 44 4.663 0.464 1.355 1.00 1.00 H new ATOM 0 HB2 LEU A 44 2.433 -0.486 2.819 1.00 1.00 H new ATOM 0 HB3 LEU A 44 2.494 0.560 1.415 1.00 1.00 H new ATOM 0 HG LEU A 44 2.537 -1.470 -0.045 1.00 1.00 H new ATOM 0 HD11 LEU A 44 1.897 -3.640 0.916 1.00 1.00 H new ATOM 0 HD12 LEU A 44 3.470 -3.074 1.527 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.020 -2.947 2.551 1.00 1.00 H new ATOM 0 HD21 LEU A 44 0.154 -2.006 0.230 1.00 1.00 H new ATOM 0 HD22 LEU A 44 0.162 -1.205 1.819 1.00 1.00 H new ATOM 0 HD23 LEU A 44 0.465 -0.258 0.344 1.00 1.00 H new ATOM 702 N LYS A 45 4.963 -1.664 3.818 1.00 1.00 N ATOM 703 CA LYS A 45 5.495 -1.827 5.160 1.00 1.00 C ATOM 704 C LYS A 45 7.008 -1.599 5.136 1.00 1.00 C ATOM 705 O LYS A 45 7.684 -1.795 6.144 1.00 1.00 O ATOM 706 CB LYS A 45 5.086 -3.184 5.738 1.00 1.00 C ATOM 707 CG LYS A 45 5.993 -3.578 6.905 1.00 1.00 C ATOM 708 CD LYS A 45 6.021 -2.483 7.973 1.00 1.00 C ATOM 709 CE LYS A 45 7.247 -2.629 8.876 1.00 1.00 C ATOM 710 NZ LYS A 45 7.956 -1.336 9.000 1.00 1.00 N ATOM 0 H LYS A 45 4.642 -2.527 3.379 1.00 1.00 H new ATOM 0 HA LYS A 45 5.071 -1.080 5.831 1.00 1.00 H new ATOM 0 HB2 LYS A 45 4.050 -3.142 6.075 1.00 1.00 H new ATOM 0 HB3 LYS A 45 5.137 -3.945 4.960 1.00 1.00 H new ATOM 0 HG2 LYS A 45 5.641 -4.511 7.345 1.00 1.00 H new ATOM 0 HG3 LYS A 45 7.004 -3.760 6.539 1.00 1.00 H new ATOM 0 HD2 LYS A 45 6.032 -1.504 7.495 1.00 1.00 H new ATOM 0 HD3 LYS A 45 5.114 -2.534 8.575 1.00 1.00 H new ATOM 0 HE2 LYS A 45 6.940 -2.978 9.862 1.00 1.00 H new ATOM 0 HE3 LYS A 45 7.920 -3.382 8.466 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 8.848 -1.477 9.517 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 8.161 -0.960 8.052 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 7.359 -0.661 9.519 1.00 1.00 H new ATOM 724 N SER A 46 7.494 -1.190 3.974 1.00 1.00 N ATOM 725 CA SER A 46 8.914 -0.933 3.805 1.00 1.00 C ATOM 726 C SER A 46 9.232 0.516 4.176 1.00 1.00 C ATOM 727 O SER A 46 9.493 1.342 3.303 1.00 1.00 O ATOM 728 CB SER A 46 9.360 -1.224 2.371 1.00 1.00 C ATOM 729 OG SER A 46 10.765 -1.055 2.203 1.00 1.00 O ATOM 0 H SER A 46 6.930 -1.030 3.140 1.00 1.00 H new ATOM 0 HA SER A 46 9.463 -1.600 4.470 1.00 1.00 H new ATOM 0 HB2 SER A 46 9.084 -2.244 2.106 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.831 -0.562 1.686 1.00 1.00 H new ATOM 0 HG SER A 46 11.068 -1.579 1.432 1.00 1.00 H new ATOM 735 N ILE A 47 9.199 0.782 5.474 1.00 1.00 N ATOM 736 CA ILE A 47 9.481 2.118 5.972 1.00 1.00 C ATOM 737 C ILE A 47 10.641 2.720 5.177 1.00 1.00 C ATOM 738 O ILE A 47 10.488 3.761 4.540 1.00 1.00 O ATOM 739 CB ILE A 47 9.721 2.087 7.483 1.00 1.00 C ATOM 740 CG1 ILE A 47 8.802 3.076 8.204 1.00 1.00 C ATOM 741 CG2 ILE A 47 11.195 2.333 7.808 1.00 1.00 C ATOM 742 CD1 ILE A 47 7.337 2.831 7.837 1.00 1.00 C ATOM 0 H ILE A 47 8.981 0.095 6.196 1.00 1.00 H new ATOM 0 HA ILE A 47 8.620 2.770 5.823 1.00 1.00 H new ATOM 0 HB ILE A 47 9.472 1.091 7.849 1.00 1.00 H new ATOM 0 HG12 ILE A 47 8.932 2.979 9.282 1.00 1.00 H new ATOM 0 HG13 ILE A 47 9.081 4.096 7.940 1.00 1.00 H new ATOM 0 HG21 ILE A 47 11.339 2.306 8.888 1.00 1.00 H new ATOM 0 HG22 ILE A 47 11.805 1.559 7.341 1.00 1.00 H new ATOM 0 HG23 ILE A 47 11.494 3.309 7.427 1.00 1.00 H new ATOM 0 HD11 ILE A 47 6.706 3.547 8.363 1.00 1.00 H new ATOM 0 HD12 ILE A 47 7.206 2.953 6.762 1.00 1.00 H new ATOM 0 HD13 ILE A 47 7.054 1.818 8.125 1.00 1.00 H new ATOM 754 N MET A 48 11.776 2.039 5.240 1.00 1.00 N ATOM 755 CA MET A 48 12.962 2.493 4.534 1.00 1.00 C ATOM 756 C MET A 48 12.601 3.037 3.150 1.00 1.00 C ATOM 757 O MET A 48 12.739 4.232 2.893 1.00 1.00 O ATOM 758 CB MET A 48 13.945 1.330 4.385 1.00 1.00 C ATOM 759 CG MET A 48 13.210 -0.012 4.387 1.00 1.00 C ATOM 760 SD MET A 48 14.048 -1.168 3.315 1.00 1.00 S ATOM 761 CE MET A 48 13.780 -0.377 1.738 1.00 1.00 C ATOM 0 H MET A 48 11.899 1.176 5.769 1.00 1.00 H new ATOM 0 HA MET A 48 13.421 3.296 5.111 1.00 1.00 H new ATOM 0 HB2 MET A 48 14.506 1.440 3.457 1.00 1.00 H new ATOM 0 HB3 MET A 48 14.668 1.354 5.200 1.00 1.00 H new ATOM 0 HG2 MET A 48 13.165 -0.410 5.401 1.00 1.00 H new ATOM 0 HG3 MET A 48 12.182 0.127 4.053 1.00 1.00 H new ATOM 0 HE1 MET A 48 13.998 -1.082 0.936 1.00 1.00 H new ATOM 0 HE2 MET A 48 12.742 -0.054 1.665 1.00 1.00 H new ATOM 0 HE3 MET A 48 14.436 0.489 1.649 1.00 1.00 H new ATOM 771 N GLY A 49 12.146 2.133 2.295 1.00 1.00 N ATOM 772 CA GLY A 49 11.765 2.507 0.943 1.00 1.00 C ATOM 773 C GLY A 49 10.641 3.546 0.958 1.00 1.00 C ATOM 774 O GLY A 49 10.757 4.601 0.337 1.00 1.00 O ATOM 0 H GLY A 49 12.033 1.143 2.512 1.00 1.00 H new ATOM 0 HA2 GLY A 49 12.630 2.909 0.416 1.00 1.00 H new ATOM 0 HA3 GLY A 49 11.440 1.623 0.395 1.00 1.00 H new ATOM 778 N VAL A 50 9.578 3.210 1.675 1.00 1.00 N ATOM 779 CA VAL A 50 8.435 4.100 1.779 1.00 1.00 C ATOM 780 C VAL A 50 8.896 5.455 2.319 1.00 1.00 C ATOM 781 O VAL A 50 8.596 6.495 1.734 1.00 1.00 O ATOM 782 CB VAL A 50 7.345 3.454 2.638 1.00 1.00 C ATOM 783 CG1 VAL A 50 6.782 4.452 3.651 1.00 1.00 C ATOM 784 CG2 VAL A 50 6.232 2.872 1.764 1.00 1.00 C ATOM 0 H VAL A 50 9.485 2.334 2.189 1.00 1.00 H new ATOM 0 HA VAL A 50 7.996 4.274 0.796 1.00 1.00 H new ATOM 0 HB VAL A 50 7.798 2.633 3.194 1.00 1.00 H new ATOM 0 HG11 VAL A 50 6.010 3.968 4.248 1.00 1.00 H new ATOM 0 HG12 VAL A 50 7.583 4.798 4.305 1.00 1.00 H new ATOM 0 HG13 VAL A 50 6.352 5.303 3.123 1.00 1.00 H new ATOM 0 HG21 VAL A 50 5.470 2.419 2.399 1.00 1.00 H new ATOM 0 HG22 VAL A 50 5.783 3.667 1.169 1.00 1.00 H new ATOM 0 HG23 VAL A 50 6.649 2.114 1.101 1.00 1.00 H new ATOM 794 N MET A 51 9.618 5.400 3.428 1.00 1.00 N ATOM 795 CA MET A 51 10.124 6.610 4.054 1.00 1.00 C ATOM 796 C MET A 51 10.633 7.598 3.003 1.00 1.00 C ATOM 797 O MET A 51 10.165 8.734 2.934 1.00 1.00 O ATOM 798 CB MET A 51 11.261 6.253 5.012 1.00 1.00 C ATOM 799 CG MET A 51 10.715 5.828 6.377 1.00 1.00 C ATOM 800 SD MET A 51 9.866 7.196 7.148 1.00 1.00 S ATOM 801 CE MET A 51 10.654 8.561 6.309 1.00 1.00 C ATOM 0 H MET A 51 9.865 4.536 3.910 1.00 1.00 H new ATOM 0 HA MET A 51 9.309 7.080 4.604 1.00 1.00 H new ATOM 0 HB2 MET A 51 11.859 5.446 4.588 1.00 1.00 H new ATOM 0 HB3 MET A 51 11.923 7.111 5.132 1.00 1.00 H new ATOM 0 HG2 MET A 51 10.033 4.986 6.259 1.00 1.00 H new ATOM 0 HG3 MET A 51 11.531 5.490 7.015 1.00 1.00 H new ATOM 0 HE1 MET A 51 10.520 9.472 6.892 1.00 1.00 H new ATOM 0 HE2 MET A 51 11.719 8.354 6.198 1.00 1.00 H new ATOM 0 HE3 MET A 51 10.205 8.691 5.324 1.00 1.00 H new ATOM 811 N SER A 52 11.586 7.130 2.209 1.00 1.00 N ATOM 812 CA SER A 52 12.164 7.959 1.165 1.00 1.00 C ATOM 813 C SER A 52 11.076 8.397 0.182 1.00 1.00 C ATOM 814 O SER A 52 11.186 9.452 -0.441 1.00 1.00 O ATOM 815 CB SER A 52 13.278 7.215 0.426 1.00 1.00 C ATOM 816 OG SER A 52 12.771 6.412 -0.636 1.00 1.00 O ATOM 0 H SER A 52 11.972 6.188 2.268 1.00 1.00 H new ATOM 0 HA SER A 52 12.600 8.842 1.631 1.00 1.00 H new ATOM 0 HB2 SER A 52 13.992 7.935 0.027 1.00 1.00 H new ATOM 0 HB3 SER A 52 13.821 6.584 1.130 1.00 1.00 H new ATOM 0 HG SER A 52 13.516 6.083 -1.181 1.00 1.00 H new ATOM 822 N LEU A 53 10.050 7.565 0.075 1.00 1.00 N ATOM 823 CA LEU A 53 8.943 7.854 -0.821 1.00 1.00 C ATOM 824 C LEU A 53 7.855 8.608 -0.054 1.00 1.00 C ATOM 825 O LEU A 53 7.854 9.838 -0.020 1.00 1.00 O ATOM 826 CB LEU A 53 8.447 6.571 -1.490 1.00 1.00 C ATOM 827 CG LEU A 53 8.555 6.524 -3.016 1.00 1.00 C ATOM 828 CD1 LEU A 53 7.779 5.336 -3.585 1.00 1.00 C ATOM 829 CD2 LEU A 53 8.111 7.850 -3.638 1.00 1.00 C ATOM 0 H LEU A 53 9.962 6.691 0.594 1.00 1.00 H new ATOM 0 HA LEU A 53 9.269 8.504 -1.633 1.00 1.00 H new ATOM 0 HB2 LEU A 53 9.008 5.731 -1.080 1.00 1.00 H new ATOM 0 HB3 LEU A 53 7.403 6.422 -1.215 1.00 1.00 H new ATOM 0 HG LEU A 53 9.603 6.379 -3.280 1.00 1.00 H new ATOM 0 HD11 LEU A 53 7.873 5.327 -4.671 1.00 1.00 H new ATOM 0 HD12 LEU A 53 8.183 4.409 -3.178 1.00 1.00 H new ATOM 0 HD13 LEU A 53 6.727 5.424 -3.312 1.00 1.00 H new ATOM 0 HD21 LEU A 53 8.197 7.790 -4.723 1.00 1.00 H new ATOM 0 HD22 LEU A 53 7.074 8.050 -3.367 1.00 1.00 H new ATOM 0 HD23 LEU A 53 8.745 8.656 -3.268 1.00 1.00 H new ATOM 841 N GLY A 54 6.956 7.840 0.542 1.00 1.00 N ATOM 842 CA GLY A 54 5.865 8.420 1.306 1.00 1.00 C ATOM 843 C GLY A 54 5.012 9.342 0.432 1.00 1.00 C ATOM 844 O GLY A 54 5.530 10.006 -0.465 1.00 1.00 O ATOM 0 H GLY A 54 6.961 6.820 0.511 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.243 7.626 1.718 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.266 8.981 2.150 1.00 1.00 H new ATOM 848 N VAL A 55 3.720 9.353 0.724 1.00 1.00 N ATOM 849 CA VAL A 55 2.791 10.183 -0.024 1.00 1.00 C ATOM 850 C VAL A 55 1.967 11.026 0.951 1.00 1.00 C ATOM 851 O VAL A 55 2.249 11.049 2.148 1.00 1.00 O ATOM 852 CB VAL A 55 1.928 9.309 -0.937 1.00 1.00 C ATOM 853 CG1 VAL A 55 2.384 9.419 -2.393 1.00 1.00 C ATOM 854 CG2 VAL A 55 1.934 7.853 -0.468 1.00 1.00 C ATOM 0 H VAL A 55 3.294 8.800 1.468 1.00 1.00 H new ATOM 0 HA VAL A 55 3.331 10.873 -0.672 1.00 1.00 H new ATOM 0 HB VAL A 55 0.903 9.675 -0.879 1.00 1.00 H new ATOM 0 HG11 VAL A 55 1.754 8.788 -3.020 1.00 1.00 H new ATOM 0 HG12 VAL A 55 2.303 10.455 -2.722 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.421 9.092 -2.475 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.313 7.254 -1.134 1.00 1.00 H new ATOM 0 HG22 VAL A 55 2.955 7.471 -0.481 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.538 7.796 0.546 1.00 1.00 H new ATOM 864 N GLY A 56 0.966 11.699 0.403 1.00 1.00 N ATOM 865 CA GLY A 56 0.100 12.541 1.209 1.00 1.00 C ATOM 866 C GLY A 56 -0.668 13.534 0.335 1.00 1.00 C ATOM 867 O GLY A 56 -1.709 13.197 -0.227 1.00 1.00 O ATOM 0 H GLY A 56 0.736 11.678 -0.590 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -0.603 11.920 1.764 1.00 1.00 H new ATOM 0 HA3 GLY A 56 0.695 13.083 1.944 1.00 1.00 H new ATOM 871 N GLN A 57 -0.124 14.740 0.247 1.00 1.00 N ATOM 872 CA GLN A 57 -0.745 15.784 -0.550 1.00 1.00 C ATOM 873 C GLN A 57 -1.315 15.198 -1.843 1.00 1.00 C ATOM 874 O GLN A 57 -0.641 15.182 -2.872 1.00 1.00 O ATOM 875 CB GLN A 57 0.248 16.909 -0.849 1.00 1.00 C ATOM 876 CG GLN A 57 1.188 16.521 -1.992 1.00 1.00 C ATOM 877 CD GLN A 57 2.551 17.199 -1.834 1.00 1.00 C ATOM 878 OE1 GLN A 57 2.661 18.336 -1.405 1.00 1.00 O ATOM 879 NE2 GLN A 57 3.578 16.441 -2.205 1.00 1.00 N ATOM 0 H GLN A 57 0.739 15.017 0.714 1.00 1.00 H new ATOM 0 HA GLN A 57 -1.567 16.212 0.024 1.00 1.00 H new ATOM 0 HB2 GLN A 57 -0.294 17.817 -1.112 1.00 1.00 H new ATOM 0 HB3 GLN A 57 0.830 17.133 0.045 1.00 1.00 H new ATOM 0 HG2 GLN A 57 1.316 15.439 -2.011 1.00 1.00 H new ATOM 0 HG3 GLN A 57 0.744 16.806 -2.946 1.00 1.00 H new ATOM 0 HE21 GLN A 57 3.415 15.497 -2.556 1.00 1.00 H new ATOM 0 HE22 GLN A 57 4.529 16.803 -2.139 1.00 1.00 H new ATOM 888 N GLY A 58 -2.551 14.730 -1.749 1.00 1.00 N ATOM 889 CA GLY A 58 -3.219 14.144 -2.898 1.00 1.00 C ATOM 890 C GLY A 58 -2.252 13.283 -3.715 1.00 1.00 C ATOM 891 O GLY A 58 -2.536 12.943 -4.862 1.00 1.00 O ATOM 0 H GLY A 58 -3.107 14.745 -0.894 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -4.059 13.536 -2.563 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -3.628 14.934 -3.527 1.00 1.00 H new ATOM 895 N SER A 59 -1.130 12.956 -3.090 1.00 1.00 N ATOM 896 CA SER A 59 -0.120 12.142 -3.744 1.00 1.00 C ATOM 897 C SER A 59 -0.738 10.826 -4.222 1.00 1.00 C ATOM 898 O SER A 59 -1.469 10.173 -3.479 1.00 1.00 O ATOM 899 CB SER A 59 1.057 11.866 -2.807 1.00 1.00 C ATOM 900 OG SER A 59 1.479 13.041 -2.120 1.00 1.00 O ATOM 0 H SER A 59 -0.899 13.240 -2.138 1.00 1.00 H new ATOM 0 HA SER A 59 0.258 12.693 -4.605 1.00 1.00 H new ATOM 0 HB2 SER A 59 0.772 11.104 -2.081 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.891 11.463 -3.381 1.00 1.00 H new ATOM 0 HG SER A 59 2.231 12.823 -1.531 1.00 1.00 H new ATOM 906 N ASP A 60 -0.420 10.475 -5.460 1.00 1.00 N ATOM 907 CA ASP A 60 -0.935 9.249 -6.045 1.00 1.00 C ATOM 908 C ASP A 60 0.114 8.144 -5.907 1.00 1.00 C ATOM 909 O ASP A 60 1.314 8.413 -5.950 1.00 1.00 O ATOM 910 CB ASP A 60 -1.234 9.433 -7.535 1.00 1.00 C ATOM 911 CG ASP A 60 -0.001 9.549 -8.432 1.00 1.00 C ATOM 912 OD1 ASP A 60 0.592 10.650 -8.443 1.00 1.00 O ATOM 913 OD2 ASP A 60 0.322 8.535 -9.088 1.00 1.00 O ATOM 0 H ASP A 60 0.188 11.018 -6.073 1.00 1.00 H new ATOM 0 HA ASP A 60 -1.854 8.986 -5.522 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -1.835 8.590 -7.876 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -1.842 10.329 -7.660 1.00 1.00 H new ATOM 918 N VAL A 61 -0.376 6.924 -5.744 1.00 1.00 N ATOM 919 CA VAL A 61 0.504 5.777 -5.599 1.00 1.00 C ATOM 920 C VAL A 61 -0.160 4.548 -6.223 1.00 1.00 C ATOM 921 O VAL A 61 -1.279 4.631 -6.728 1.00 1.00 O ATOM 922 CB VAL A 61 0.866 5.577 -4.126 1.00 1.00 C ATOM 923 CG1 VAL A 61 1.696 6.751 -3.602 1.00 1.00 C ATOM 924 CG2 VAL A 61 -0.390 5.371 -3.276 1.00 1.00 C ATOM 0 H VAL A 61 -1.372 6.705 -5.709 1.00 1.00 H new ATOM 0 HA VAL A 61 1.441 5.946 -6.130 1.00 1.00 H new ATOM 0 HB VAL A 61 1.474 4.676 -4.049 1.00 1.00 H new ATOM 0 HG11 VAL A 61 1.940 6.584 -2.553 1.00 1.00 H new ATOM 0 HG12 VAL A 61 2.616 6.833 -4.180 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.123 7.673 -3.699 1.00 1.00 H new ATOM 0 HG21 VAL A 61 -0.105 5.231 -2.233 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -1.035 6.246 -3.362 1.00 1.00 H new ATOM 0 HG23 VAL A 61 -0.926 4.489 -3.627 1.00 1.00 H new ATOM 934 N THR A 62 0.557 3.435 -6.168 1.00 1.00 N ATOM 935 CA THR A 62 0.052 2.191 -6.722 1.00 1.00 C ATOM 936 C THR A 62 0.311 1.033 -5.756 1.00 1.00 C ATOM 937 O THR A 62 1.393 0.930 -5.181 1.00 1.00 O ATOM 938 CB THR A 62 0.692 1.990 -8.097 1.00 1.00 C ATOM 939 OG1 THR A 62 -0.259 2.538 -9.006 1.00 1.00 O ATOM 940 CG2 THR A 62 0.779 0.515 -8.493 1.00 1.00 C ATOM 0 H THR A 62 1.484 3.369 -5.748 1.00 1.00 H new ATOM 0 HA THR A 62 -1.029 2.228 -6.854 1.00 1.00 H new ATOM 0 HB THR A 62 1.691 2.425 -8.099 1.00 1.00 H new ATOM 0 HG1 THR A 62 0.191 3.160 -9.615 1.00 1.00 H new ATOM 0 HG21 THR A 62 1.241 0.429 -9.477 1.00 1.00 H new ATOM 0 HG22 THR A 62 1.381 -0.023 -7.761 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.223 0.087 -8.524 1.00 1.00 H new ATOM 948 N ILE A 63 -0.701 0.190 -5.608 1.00 1.00 N ATOM 949 CA ILE A 63 -0.596 -0.956 -4.721 1.00 1.00 C ATOM 950 C ILE A 63 -0.528 -2.237 -5.556 1.00 1.00 C ATOM 951 O ILE A 63 -0.988 -2.263 -6.696 1.00 1.00 O ATOM 952 CB ILE A 63 -1.734 -0.949 -3.698 1.00 1.00 C ATOM 953 CG1 ILE A 63 -1.187 -0.984 -2.270 1.00 1.00 C ATOM 954 CG2 ILE A 63 -2.717 -2.090 -3.964 1.00 1.00 C ATOM 955 CD1 ILE A 63 -1.278 0.394 -1.613 1.00 1.00 C ATOM 0 H ILE A 63 -1.597 0.278 -6.087 1.00 1.00 H new ATOM 0 HA ILE A 63 0.324 -0.904 -4.139 1.00 1.00 H new ATOM 0 HB ILE A 63 -2.287 -0.016 -3.808 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -1.747 -1.709 -1.680 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -0.149 -1.317 -2.283 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -3.516 -2.062 -3.223 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -3.143 -1.978 -4.961 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -2.194 -3.044 -3.898 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -0.882 0.340 -0.599 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -0.697 1.112 -2.192 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.320 0.713 -1.580 1.00 1.00 H new ATOM 967 N THR A 64 0.051 -3.266 -4.956 1.00 1.00 N ATOM 968 CA THR A 64 0.185 -4.547 -5.630 1.00 1.00 C ATOM 969 C THR A 64 -0.197 -5.689 -4.686 1.00 1.00 C ATOM 970 O THR A 64 0.054 -5.616 -3.484 1.00 1.00 O ATOM 971 CB THR A 64 1.615 -4.652 -6.164 1.00 1.00 C ATOM 972 OG1 THR A 64 1.974 -3.306 -6.463 1.00 1.00 O ATOM 973 CG2 THR A 64 1.684 -5.365 -7.516 1.00 1.00 C ATOM 0 H THR A 64 0.433 -3.239 -4.011 1.00 1.00 H new ATOM 0 HA THR A 64 -0.500 -4.623 -6.475 1.00 1.00 H new ATOM 0 HB THR A 64 2.234 -5.183 -5.441 1.00 1.00 H new ATOM 0 HG1 THR A 64 2.889 -3.282 -6.814 1.00 1.00 H new ATOM 0 HG21 THR A 64 2.721 -5.413 -7.850 1.00 1.00 H new ATOM 0 HG22 THR A 64 1.289 -6.376 -7.415 1.00 1.00 H new ATOM 0 HG23 THR A 64 1.092 -4.815 -8.248 1.00 1.00 H new ATOM 981 N VAL A 65 -0.798 -6.717 -5.267 1.00 1.00 N ATOM 982 CA VAL A 65 -1.217 -7.873 -4.493 1.00 1.00 C ATOM 983 C VAL A 65 -1.013 -9.141 -5.325 1.00 1.00 C ATOM 984 O VAL A 65 -1.551 -9.259 -6.425 1.00 1.00 O ATOM 985 CB VAL A 65 -2.662 -7.693 -4.024 1.00 1.00 C ATOM 986 CG1 VAL A 65 -3.648 -8.212 -5.073 1.00 1.00 C ATOM 987 CG2 VAL A 65 -2.889 -8.375 -2.673 1.00 1.00 C ATOM 0 H VAL A 65 -1.005 -6.773 -6.264 1.00 1.00 H new ATOM 0 HA VAL A 65 -0.607 -7.972 -3.595 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.842 -6.626 -3.895 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -4.668 -8.072 -4.714 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -3.512 -7.662 -6.004 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -3.468 -9.272 -5.249 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -3.924 -8.232 -2.363 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.682 -9.441 -2.764 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -2.223 -7.938 -1.929 1.00 1.00 H new ATOM 997 N ASP A 66 -0.233 -10.056 -4.769 1.00 1.00 N ATOM 998 CA ASP A 66 0.049 -11.310 -5.446 1.00 1.00 C ATOM 999 C ASP A 66 0.057 -12.447 -4.423 1.00 1.00 C ATOM 1000 O ASP A 66 0.718 -12.353 -3.390 1.00 1.00 O ATOM 1001 CB ASP A 66 1.421 -11.274 -6.123 1.00 1.00 C ATOM 1002 CG ASP A 66 2.010 -9.875 -6.317 1.00 1.00 C ATOM 1003 OD1 ASP A 66 1.220 -8.970 -6.661 1.00 1.00 O ATOM 1004 OD2 ASP A 66 3.237 -9.743 -6.116 1.00 1.00 O ATOM 0 H ASP A 66 0.213 -9.954 -3.857 1.00 1.00 H new ATOM 0 HA ASP A 66 -0.722 -11.466 -6.201 1.00 1.00 H new ATOM 0 HB2 ASP A 66 2.118 -11.866 -5.530 1.00 1.00 H new ATOM 0 HB3 ASP A 66 1.342 -11.757 -7.097 1.00 1.00 H new ATOM 1009 N GLY A 67 -0.686 -13.496 -4.746 1.00 1.00 N ATOM 1010 CA GLY A 67 -0.773 -14.650 -3.867 1.00 1.00 C ATOM 1011 C GLY A 67 -2.231 -15.018 -3.589 1.00 1.00 C ATOM 1012 O GLY A 67 -3.111 -14.742 -4.403 1.00 1.00 O ATOM 0 H GLY A 67 -1.233 -13.571 -5.604 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -0.261 -15.498 -4.322 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -0.263 -14.436 -2.928 1.00 1.00 H new ATOM 1016 N ALA A 68 -2.443 -15.636 -2.435 1.00 1.00 N ATOM 1017 CA ALA A 68 -3.779 -16.044 -2.039 1.00 1.00 C ATOM 1018 C ALA A 68 -4.579 -14.812 -1.613 1.00 1.00 C ATOM 1019 O ALA A 68 -5.603 -14.493 -2.216 1.00 1.00 O ATOM 1020 CB ALA A 68 -3.685 -17.091 -0.927 1.00 1.00 C ATOM 0 H ALA A 68 -1.711 -15.864 -1.762 1.00 1.00 H new ATOM 0 HA ALA A 68 -4.303 -16.504 -2.877 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -4.688 -17.397 -0.630 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -3.133 -17.958 -1.290 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -3.167 -16.664 -0.068 1.00 1.00 H new ATOM 1026 N ASP A 69 -4.082 -14.152 -0.578 1.00 1.00 N ATOM 1027 CA ASP A 69 -4.738 -12.961 -0.064 1.00 1.00 C ATOM 1028 C ASP A 69 -4.980 -11.981 -1.214 1.00 1.00 C ATOM 1029 O ASP A 69 -5.950 -11.226 -1.197 1.00 1.00 O ATOM 1030 CB ASP A 69 -3.867 -12.260 0.980 1.00 1.00 C ATOM 1031 CG ASP A 69 -4.147 -12.659 2.430 1.00 1.00 C ATOM 1032 OD1 ASP A 69 -3.726 -13.775 2.803 1.00 1.00 O ATOM 1033 OD2 ASP A 69 -4.775 -11.839 3.133 1.00 1.00 O ATOM 0 H ASP A 69 -3.232 -14.419 -0.081 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.678 -13.265 0.397 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -2.821 -12.469 0.757 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -4.005 -11.183 0.882 1.00 1.00 H new ATOM 1038 N GLU A 70 -4.080 -12.025 -2.185 1.00 1.00 N ATOM 1039 CA GLU A 70 -4.183 -11.150 -3.341 1.00 1.00 C ATOM 1040 C GLU A 70 -5.534 -10.430 -3.342 1.00 1.00 C ATOM 1041 O GLU A 70 -5.586 -9.202 -3.309 1.00 1.00 O ATOM 1042 CB GLU A 70 -3.977 -11.931 -4.640 1.00 1.00 C ATOM 1043 CG GLU A 70 -5.058 -13.000 -4.815 1.00 1.00 C ATOM 1044 CD GLU A 70 -6.247 -12.453 -5.607 1.00 1.00 C ATOM 1045 OE1 GLU A 70 -6.020 -11.504 -6.389 1.00 1.00 O ATOM 1046 OE2 GLU A 70 -7.356 -12.996 -5.413 1.00 1.00 O ATOM 0 H GLU A 70 -3.276 -12.653 -2.195 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.394 -10.401 -3.277 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -3.998 -11.246 -5.488 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -2.994 -12.401 -4.634 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -4.640 -13.864 -5.331 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -5.395 -13.345 -3.837 1.00 1.00 H new ATOM 1053 N ALA A 71 -6.592 -11.226 -3.381 1.00 1.00 N ATOM 1054 CA ALA A 71 -7.939 -10.680 -3.388 1.00 1.00 C ATOM 1055 C ALA A 71 -8.192 -9.944 -2.071 1.00 1.00 C ATOM 1056 O ALA A 71 -8.323 -8.721 -2.054 1.00 1.00 O ATOM 1057 CB ALA A 71 -8.946 -11.806 -3.629 1.00 1.00 C ATOM 0 H ALA A 71 -6.544 -12.245 -3.408 1.00 1.00 H new ATOM 0 HA ALA A 71 -8.057 -9.959 -4.197 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -9.956 -11.396 -3.634 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -8.741 -12.278 -4.590 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -8.860 -12.548 -2.835 1.00 1.00 H new ATOM 1063 N GLU A 72 -8.254 -10.720 -0.998 1.00 1.00 N ATOM 1064 CA GLU A 72 -8.490 -10.157 0.320 1.00 1.00 C ATOM 1065 C GLU A 72 -7.455 -9.073 0.627 1.00 1.00 C ATOM 1066 O GLU A 72 -7.806 -7.986 1.085 1.00 1.00 O ATOM 1067 CB GLU A 72 -8.476 -11.248 1.393 1.00 1.00 C ATOM 1068 CG GLU A 72 -7.627 -10.826 2.593 1.00 1.00 C ATOM 1069 CD GLU A 72 -8.269 -9.649 3.332 1.00 1.00 C ATOM 1070 OE1 GLU A 72 -9.397 -9.842 3.835 1.00 1.00 O ATOM 1071 OE2 GLU A 72 -7.617 -8.584 3.377 1.00 1.00 O ATOM 0 H GLU A 72 -8.145 -11.734 -1.015 1.00 1.00 H new ATOM 0 HA GLU A 72 -9.479 -9.700 0.326 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -9.495 -11.455 1.719 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -8.082 -12.173 0.971 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -7.511 -11.668 3.275 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -6.628 -10.548 2.257 1.00 1.00 H new ATOM 1078 N GLY A 73 -6.200 -9.406 0.363 1.00 1.00 N ATOM 1079 CA GLY A 73 -5.111 -8.475 0.606 1.00 1.00 C ATOM 1080 C GLY A 73 -5.439 -7.090 0.043 1.00 1.00 C ATOM 1081 O GLY A 73 -5.720 -6.160 0.798 1.00 1.00 O ATOM 0 H GLY A 73 -5.913 -10.308 -0.017 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -4.923 -8.401 1.677 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -4.197 -8.851 0.147 1.00 1.00 H new ATOM 1085 N MET A 74 -5.392 -6.997 -1.278 1.00 1.00 N ATOM 1086 CA MET A 74 -5.680 -5.742 -1.950 1.00 1.00 C ATOM 1087 C MET A 74 -7.066 -5.220 -1.567 1.00 1.00 C ATOM 1088 O MET A 74 -7.259 -4.015 -1.412 1.00 1.00 O ATOM 1089 CB MET A 74 -5.612 -5.946 -3.465 1.00 1.00 C ATOM 1090 CG MET A 74 -6.593 -7.031 -3.916 1.00 1.00 C ATOM 1091 SD MET A 74 -8.188 -6.307 -4.259 1.00 1.00 S ATOM 1092 CE MET A 74 -9.089 -7.764 -4.758 1.00 1.00 C ATOM 0 H MET A 74 -5.159 -7.771 -1.901 1.00 1.00 H new ATOM 0 HA MET A 74 -4.937 -5.007 -1.640 1.00 1.00 H new ATOM 0 HB2 MET A 74 -5.842 -5.009 -3.973 1.00 1.00 H new ATOM 0 HB3 MET A 74 -4.598 -6.224 -3.753 1.00 1.00 H new ATOM 0 HG2 MET A 74 -6.212 -7.530 -4.807 1.00 1.00 H new ATOM 0 HG3 MET A 74 -6.689 -7.791 -3.141 1.00 1.00 H new ATOM 0 HE1 MET A 74 -9.926 -7.474 -5.393 1.00 1.00 H new ATOM 0 HE2 MET A 74 -8.427 -8.430 -5.312 1.00 1.00 H new ATOM 0 HE3 MET A 74 -9.465 -8.279 -3.874 1.00 1.00 H new ATOM 1102 N ALA A 75 -7.996 -6.153 -1.425 1.00 1.00 N ATOM 1103 CA ALA A 75 -9.359 -5.803 -1.063 1.00 1.00 C ATOM 1104 C ALA A 75 -9.333 -4.778 0.073 1.00 1.00 C ATOM 1105 O ALA A 75 -9.912 -3.699 -0.046 1.00 1.00 O ATOM 1106 CB ALA A 75 -10.129 -7.070 -0.687 1.00 1.00 C ATOM 0 H ALA A 75 -7.832 -7.151 -1.554 1.00 1.00 H new ATOM 0 HA ALA A 75 -9.875 -5.347 -1.908 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -11.151 -6.807 -0.415 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -10.143 -7.753 -1.537 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -9.642 -7.554 0.159 1.00 1.00 H new ATOM 1112 N ALA A 76 -8.655 -5.151 1.148 1.00 1.00 N ATOM 1113 CA ALA A 76 -8.546 -4.277 2.304 1.00 1.00 C ATOM 1114 C ALA A 76 -7.872 -2.968 1.887 1.00 1.00 C ATOM 1115 O ALA A 76 -8.452 -1.894 2.032 1.00 1.00 O ATOM 1116 CB ALA A 76 -7.782 -4.997 3.418 1.00 1.00 C ATOM 0 H ALA A 76 -8.176 -6.046 1.243 1.00 1.00 H new ATOM 0 HA ALA A 76 -9.534 -4.030 2.693 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -7.700 -4.342 4.285 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -8.317 -5.905 3.698 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -6.784 -5.258 3.065 1.00 1.00 H new ATOM 1122 N ILE A 77 -6.656 -3.102 1.378 1.00 1.00 N ATOM 1123 CA ILE A 77 -5.897 -1.944 0.938 1.00 1.00 C ATOM 1124 C ILE A 77 -6.806 -1.024 0.119 1.00 1.00 C ATOM 1125 O ILE A 77 -6.992 0.141 0.467 1.00 1.00 O ATOM 1126 CB ILE A 77 -4.634 -2.381 0.194 1.00 1.00 C ATOM 1127 CG1 ILE A 77 -3.412 -2.336 1.115 1.00 1.00 C ATOM 1128 CG2 ILE A 77 -4.428 -1.549 -1.073 1.00 1.00 C ATOM 1129 CD1 ILE A 77 -3.324 -0.993 1.843 1.00 1.00 C ATOM 0 H ILE A 77 -6.178 -3.995 1.261 1.00 1.00 H new ATOM 0 HA ILE A 77 -5.550 -1.369 1.796 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.763 -3.417 -0.119 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -3.471 -3.145 1.843 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.506 -2.497 0.531 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.523 -1.880 -1.583 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -5.285 -1.676 -1.735 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -4.329 -0.497 -0.805 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -2.447 -0.987 2.491 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -3.241 -0.188 1.113 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.221 -0.846 2.445 1.00 1.00 H new ATOM 1141 N VAL A 78 -7.348 -1.583 -0.953 1.00 1.00 N ATOM 1142 CA VAL A 78 -8.232 -0.828 -1.824 1.00 1.00 C ATOM 1143 C VAL A 78 -9.304 -0.137 -0.979 1.00 1.00 C ATOM 1144 O VAL A 78 -9.402 1.089 -0.976 1.00 1.00 O ATOM 1145 CB VAL A 78 -8.818 -1.747 -2.898 1.00 1.00 C ATOM 1146 CG1 VAL A 78 -9.477 -0.935 -4.015 1.00 1.00 C ATOM 1147 CG2 VAL A 78 -7.747 -2.684 -3.461 1.00 1.00 C ATOM 0 H VAL A 78 -7.192 -2.550 -1.238 1.00 1.00 H new ATOM 0 HA VAL A 78 -7.679 -0.049 -2.348 1.00 1.00 H new ATOM 0 HB VAL A 78 -9.588 -2.360 -2.430 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -9.885 -1.612 -4.765 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -10.281 -0.328 -3.598 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.735 -0.285 -4.479 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -8.189 -3.327 -4.222 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -6.945 -2.095 -3.905 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -7.343 -3.299 -2.657 1.00 1.00 H new ATOM 1157 N GLU A 79 -10.082 -0.954 -0.284 1.00 1.00 N ATOM 1158 CA GLU A 79 -11.144 -0.436 0.563 1.00 1.00 C ATOM 1159 C GLU A 79 -10.583 0.590 1.549 1.00 1.00 C ATOM 1160 O GLU A 79 -11.129 1.684 1.690 1.00 1.00 O ATOM 1161 CB GLU A 79 -11.860 -1.570 1.299 1.00 1.00 C ATOM 1162 CG GLU A 79 -13.225 -1.856 0.670 1.00 1.00 C ATOM 1163 CD GLU A 79 -14.356 -1.576 1.662 1.00 1.00 C ATOM 1164 OE1 GLU A 79 -14.401 -2.291 2.687 1.00 1.00 O ATOM 1165 OE2 GLU A 79 -15.149 -0.654 1.374 1.00 1.00 O ATOM 0 H GLU A 79 -9.998 -1.971 -0.290 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.878 0.062 -0.071 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -11.247 -2.471 1.271 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.988 -1.304 2.348 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -13.356 -1.240 -0.219 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.270 -2.896 0.346 1.00 1.00 H new ATOM 1172 N THR A 80 -9.500 0.202 2.206 1.00 1.00 N ATOM 1173 CA THR A 80 -8.859 1.075 3.175 1.00 1.00 C ATOM 1174 C THR A 80 -8.410 2.375 2.507 1.00 1.00 C ATOM 1175 O THR A 80 -8.646 3.462 3.033 1.00 1.00 O ATOM 1176 CB THR A 80 -7.713 0.298 3.826 1.00 1.00 C ATOM 1177 OG1 THR A 80 -8.030 0.309 5.215 1.00 1.00 O ATOM 1178 CG2 THR A 80 -6.379 1.044 3.742 1.00 1.00 C ATOM 0 H THR A 80 -9.050 -0.705 2.086 1.00 1.00 H new ATOM 0 HA THR A 80 -9.555 1.374 3.959 1.00 1.00 H new ATOM 0 HB THR A 80 -7.616 -0.676 3.346 1.00 1.00 H new ATOM 0 HG1 THR A 80 -7.338 -0.175 5.712 1.00 1.00 H new ATOM 0 HG21 THR A 80 -5.599 0.450 4.218 1.00 1.00 H new ATOM 0 HG22 THR A 80 -6.120 1.211 2.696 1.00 1.00 H new ATOM 0 HG23 THR A 80 -6.466 2.004 4.251 1.00 1.00 H new ATOM 1186 N LEU A 81 -7.771 2.222 1.356 1.00 1.00 N ATOM 1187 CA LEU A 81 -7.287 3.371 0.610 1.00 1.00 C ATOM 1188 C LEU A 81 -8.380 4.440 0.562 1.00 1.00 C ATOM 1189 O LEU A 81 -8.121 5.611 0.836 1.00 1.00 O ATOM 1190 CB LEU A 81 -6.786 2.941 -0.770 1.00 1.00 C ATOM 1191 CG LEU A 81 -5.395 2.305 -0.811 1.00 1.00 C ATOM 1192 CD1 LEU A 81 -4.442 3.127 -1.682 1.00 1.00 C ATOM 1193 CD2 LEU A 81 -4.845 2.098 0.602 1.00 1.00 C ATOM 0 H LEU A 81 -7.577 1.319 0.922 1.00 1.00 H new ATOM 0 HA LEU A 81 -6.428 3.816 1.111 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -7.500 2.232 -1.189 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -6.784 3.814 -1.422 1.00 1.00 H new ATOM 0 HG LEU A 81 -5.483 1.320 -1.270 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -3.460 2.653 -1.694 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -4.832 3.180 -2.698 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.354 4.134 -1.274 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -3.855 1.645 0.544 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -4.774 3.060 1.110 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -5.513 1.442 1.160 1.00 1.00 H new ATOM 1205 N GLN A 82 -9.580 3.999 0.212 1.00 1.00 N ATOM 1206 CA GLN A 82 -10.714 4.903 0.124 1.00 1.00 C ATOM 1207 C GLN A 82 -11.496 4.903 1.439 1.00 1.00 C ATOM 1208 O GLN A 82 -12.341 5.768 1.663 1.00 1.00 O ATOM 1209 CB GLN A 82 -11.619 4.535 -1.052 1.00 1.00 C ATOM 1210 CG GLN A 82 -10.862 3.700 -2.087 1.00 1.00 C ATOM 1211 CD GLN A 82 -11.413 2.274 -2.150 1.00 1.00 C ATOM 1212 OE1 GLN A 82 -12.182 1.840 -1.308 1.00 1.00 O ATOM 1213 NE2 GLN A 82 -10.979 1.572 -3.193 1.00 1.00 N ATOM 0 H GLN A 82 -9.791 3.027 -0.014 1.00 1.00 H new ATOM 0 HA GLN A 82 -10.337 5.911 -0.052 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -12.482 3.977 -0.690 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -12.000 5.443 -1.520 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -10.943 4.169 -3.068 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -9.802 3.673 -1.833 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -10.335 1.996 -3.861 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -11.290 0.609 -3.325 1.00 1.00 H new ATOM 1222 N LYS A 83 -11.186 3.922 2.275 1.00 1.00 N ATOM 1223 CA LYS A 83 -11.849 3.798 3.562 1.00 1.00 C ATOM 1224 C LYS A 83 -11.189 4.747 4.565 1.00 1.00 C ATOM 1225 O LYS A 83 -11.870 5.352 5.391 1.00 1.00 O ATOM 1226 CB LYS A 83 -11.866 2.337 4.017 1.00 1.00 C ATOM 1227 CG LYS A 83 -11.282 2.194 5.424 1.00 1.00 C ATOM 1228 CD LYS A 83 -11.420 0.757 5.931 1.00 1.00 C ATOM 1229 CE LYS A 83 -11.488 -0.231 4.766 1.00 1.00 C ATOM 1230 NZ LYS A 83 -11.823 -1.587 5.255 1.00 1.00 N ATOM 0 H LYS A 83 -10.485 3.206 2.086 1.00 1.00 H new ATOM 0 HA LYS A 83 -12.895 4.095 3.482 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.889 1.960 4.004 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.293 1.728 3.318 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -10.231 2.481 5.416 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.793 2.874 6.105 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -10.574 0.511 6.572 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.319 0.668 6.541 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.237 0.098 4.046 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -10.532 -0.252 4.243 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -11.865 -2.245 4.451 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -11.093 -1.905 5.925 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -12.746 -1.565 5.733 1.00 1.00 H new ATOM 1244 N GLU A 84 -9.873 4.846 4.458 1.00 1.00 N ATOM 1245 CA GLU A 84 -9.113 5.711 5.346 1.00 1.00 C ATOM 1246 C GLU A 84 -8.850 7.060 4.675 1.00 1.00 C ATOM 1247 O GLU A 84 -8.021 7.839 5.143 1.00 1.00 O ATOM 1248 CB GLU A 84 -7.804 5.045 5.772 1.00 1.00 C ATOM 1249 CG GLU A 84 -7.987 3.536 5.946 1.00 1.00 C ATOM 1250 CD GLU A 84 -8.823 3.226 7.189 1.00 1.00 C ATOM 1251 OE1 GLU A 84 -9.272 4.201 7.830 1.00 1.00 O ATOM 1252 OE2 GLU A 84 -8.995 2.020 7.471 1.00 1.00 O ATOM 0 H GLU A 84 -9.313 4.342 3.771 1.00 1.00 H new ATOM 0 HA GLU A 84 -9.703 5.884 6.246 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -7.034 5.238 5.025 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -7.457 5.483 6.708 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -8.473 3.121 5.063 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -7.012 3.055 6.029 1.00 1.00 H new ATOM 1259 N GLY A 85 -9.571 7.295 3.588 1.00 1.00 N ATOM 1260 CA GLY A 85 -9.425 8.537 2.848 1.00 1.00 C ATOM 1261 C GLY A 85 -7.964 8.775 2.458 1.00 1.00 C ATOM 1262 O GLY A 85 -7.579 9.898 2.136 1.00 1.00 O ATOM 0 H GLY A 85 -10.257 6.647 3.202 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -10.044 8.505 1.951 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -9.784 9.369 3.453 1.00 1.00 H new ATOM 1266 N LEU A 86 -7.191 7.700 2.500 1.00 1.00 N ATOM 1267 CA LEU A 86 -5.782 7.778 2.155 1.00 1.00 C ATOM 1268 C LEU A 86 -5.634 7.794 0.633 1.00 1.00 C ATOM 1269 O LEU A 86 -4.793 8.514 0.095 1.00 1.00 O ATOM 1270 CB LEU A 86 -5.001 6.653 2.837 1.00 1.00 C ATOM 1271 CG LEU A 86 -4.139 7.063 4.033 1.00 1.00 C ATOM 1272 CD1 LEU A 86 -3.475 5.844 4.675 1.00 1.00 C ATOM 1273 CD2 LEU A 86 -3.116 8.128 3.632 1.00 1.00 C ATOM 0 H LEU A 86 -7.514 6.770 2.768 1.00 1.00 H new ATOM 0 HA LEU A 86 -5.349 8.707 2.527 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -5.710 5.895 3.169 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -4.356 6.183 2.094 1.00 1.00 H new ATOM 0 HG LEU A 86 -4.790 7.508 4.786 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -2.868 6.164 5.522 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -4.242 5.151 5.019 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -2.840 5.347 3.941 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -2.516 8.402 4.500 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -2.466 7.732 2.852 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -3.636 9.010 3.258 1.00 1.00 H new ATOM 1285 N ALA A 87 -6.463 6.992 -0.019 1.00 1.00 N ATOM 1286 CA ALA A 87 -6.435 6.906 -1.469 1.00 1.00 C ATOM 1287 C ALA A 87 -7.864 6.758 -1.995 1.00 1.00 C ATOM 1288 O ALA A 87 -8.769 6.391 -1.247 1.00 1.00 O ATOM 1289 CB ALA A 87 -5.534 5.744 -1.894 1.00 1.00 C ATOM 0 H ALA A 87 -7.158 6.396 0.430 1.00 1.00 H new ATOM 0 HA ALA A 87 -6.018 7.817 -1.899 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -5.513 5.679 -2.982 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -4.524 5.912 -1.521 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -5.923 4.813 -1.483 1.00 1.00 H new ATOM 1295 N GLU A 88 -8.022 7.051 -3.277 1.00 1.00 N ATOM 1296 CA GLU A 88 -9.325 6.955 -3.912 1.00 1.00 C ATOM 1297 C GLU A 88 -9.503 5.577 -4.554 1.00 1.00 C ATOM 1298 O GLU A 88 -8.592 4.751 -4.522 1.00 1.00 O ATOM 1299 CB GLU A 88 -9.517 8.069 -4.943 1.00 1.00 C ATOM 1300 CG GLU A 88 -8.261 8.246 -5.798 1.00 1.00 C ATOM 1301 CD GLU A 88 -8.623 8.693 -7.217 1.00 1.00 C ATOM 1302 OE1 GLU A 88 -9.503 9.573 -7.327 1.00 1.00 O ATOM 1303 OE2 GLU A 88 -8.011 8.143 -8.158 1.00 1.00 O ATOM 0 H GLU A 88 -7.269 7.355 -3.894 1.00 1.00 H new ATOM 0 HA GLU A 88 -10.090 7.079 -3.146 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -10.367 7.834 -5.583 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -9.750 9.004 -4.434 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -7.604 8.983 -5.337 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -7.709 7.307 -5.838 1.00 1.00 H new