USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 591 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 Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 29 GLN : amide:sc= -4.91! C(o=-4.9!,f=-8.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0128 USER MOD Single : A 37 ASN : amide:sc= -7.8! C(o=-7.8!,f=-9.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.483 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.948 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc=0.000694 USER MOD Single : A 71 SER OG : rot -107:sc= 0.0102 USER MOD Single : A 73 HIS : no HE2:sc= -0.175 K(o=-0.18,f=-5.5!) USER MOD Single : A 86 HIS : no HE2:sc= -1.43 K(o=-1.4,f=-3.3!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -166:sc= -3.32! (180deg=-4.09!) USER MOD Single : A 92 ASN : amide:sc= -2.48 X(o=-2.5,f=-2.5!) USER MOD Single : A 124 SER OG : rot -53:sc= 0.725 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl -149:sc= -1.7 (180deg=-4.47!) USER MOD Single : A 134 THR OG1 : rot 54:sc= 0.262 USER MOD Single : A 136 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 139 CYS SG : rot 96:sc= -0.233 USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 28 9.924 6.704 5.763 1.00 0.00 N ATOM 19 CA GLN A 28 10.186 5.250 5.997 1.00 0.00 C ATOM 20 C GLN A 28 9.814 4.859 7.431 1.00 0.00 C ATOM 21 O GLN A 28 9.842 5.678 8.332 1.00 0.00 O ATOM 22 CB GLN A 28 11.689 5.077 5.768 1.00 0.00 C ATOM 23 CG GLN A 28 12.054 3.596 5.868 1.00 0.00 C ATOM 24 CD GLN A 28 13.574 3.439 5.780 1.00 0.00 C ATOM 25 OE1 GLN A 28 14.300 3.990 6.583 1.00 0.00 O ATOM 26 NE2 GLN A 28 14.088 2.706 4.829 1.00 0.00 N ATOM 0 HA GLN A 28 9.594 4.617 5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.965 5.465 4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.248 5.651 6.507 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.689 3.183 6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.573 3.037 5.066 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.478 2.244 4.155 1.00 0.00 H new ATOM 0 HE22 GLN A 28 15.100 2.596 4.760 1.00 0.00 H new ATOM 35 N GLN A 29 9.472 3.610 7.641 1.00 0.00 N ATOM 36 CA GLN A 29 9.099 3.138 9.012 1.00 0.00 C ATOM 37 C GLN A 29 10.149 2.127 9.517 1.00 0.00 C ATOM 38 O GLN A 29 10.679 1.366 8.731 1.00 0.00 O ATOM 39 CB GLN A 29 7.725 2.465 8.850 1.00 0.00 C ATOM 40 CG GLN A 29 6.639 3.307 9.532 1.00 0.00 C ATOM 41 CD GLN A 29 6.529 4.669 8.841 1.00 0.00 C ATOM 42 OE1 GLN A 29 6.504 5.693 9.493 1.00 0.00 O ATOM 43 NE2 GLN A 29 6.462 4.726 7.539 1.00 0.00 N ATOM 0 H GLN A 29 9.435 2.893 6.916 1.00 0.00 H new ATOM 0 HA GLN A 29 9.061 3.951 9.737 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.492 2.346 7.792 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.748 1.466 9.285 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.682 2.788 9.487 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.879 3.442 10.587 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.483 3.867 6.989 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.389 5.629 7.071 1.00 0.00 H new ATOM 52 N PRO A 30 10.436 2.146 10.814 1.00 0.00 N ATOM 53 CA PRO A 30 11.446 1.204 11.360 1.00 0.00 C ATOM 54 C PRO A 30 10.913 -0.244 11.372 1.00 0.00 C ATOM 55 O PRO A 30 11.121 -0.977 10.419 1.00 0.00 O ATOM 56 CB PRO A 30 11.718 1.738 12.768 1.00 0.00 C ATOM 57 CG PRO A 30 10.484 2.496 13.145 1.00 0.00 C ATOM 58 CD PRO A 30 9.872 3.014 11.870 1.00 0.00 C ATOM 0 HA PRO A 30 12.354 1.156 10.760 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.910 0.924 13.468 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.596 2.383 12.782 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.783 1.851 13.674 1.00 0.00 H new ATOM 0 HG3 PRO A 30 10.728 3.319 13.817 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.784 2.952 11.897 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.127 4.060 11.703 1.00 0.00 H new ATOM 66 N GLU A 31 10.246 -0.672 12.432 1.00 0.00 N ATOM 67 CA GLU A 31 9.723 -2.077 12.484 1.00 0.00 C ATOM 68 C GLU A 31 8.192 -2.100 12.493 1.00 0.00 C ATOM 69 O GLU A 31 7.561 -1.508 13.351 1.00 0.00 O ATOM 70 CB GLU A 31 10.274 -2.648 13.793 1.00 0.00 C ATOM 71 CG GLU A 31 9.890 -4.126 13.909 1.00 0.00 C ATOM 72 CD GLU A 31 10.330 -4.664 15.273 1.00 0.00 C ATOM 73 OE1 GLU A 31 10.281 -3.908 16.229 1.00 0.00 O ATOM 74 OE2 GLU A 31 10.707 -5.822 15.336 1.00 0.00 O ATOM 0 H GLU A 31 10.045 -0.107 13.257 1.00 0.00 H new ATOM 0 HA GLU A 31 10.030 -2.655 11.613 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.358 -2.540 13.821 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.876 -2.091 14.641 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.813 -4.243 13.791 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.362 -4.699 13.111 1.00 0.00 H new ATOM 81 N THR A 32 7.597 -2.791 11.550 1.00 0.00 N ATOM 82 CA THR A 32 6.108 -2.883 11.491 1.00 0.00 C ATOM 83 C THR A 32 5.697 -4.262 10.956 1.00 0.00 C ATOM 84 O THR A 32 6.494 -4.934 10.321 1.00 0.00 O ATOM 85 CB THR A 32 5.684 -1.758 10.538 1.00 0.00 C ATOM 86 OG1 THR A 32 4.266 -1.741 10.427 1.00 0.00 O ATOM 87 CG2 THR A 32 6.306 -1.964 9.150 1.00 0.00 C ATOM 0 H THR A 32 8.086 -3.299 10.813 1.00 0.00 H new ATOM 0 HA THR A 32 5.633 -2.775 12.466 1.00 0.00 H new ATOM 0 HB THR A 32 6.034 -0.807 10.939 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.994 -1.022 9.820 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.994 -1.156 8.488 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.393 -1.964 9.235 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.974 -2.918 8.740 1.00 0.00 H new ATOM 95 N GLU A 33 4.470 -4.688 11.206 1.00 0.00 N ATOM 96 CA GLU A 33 4.035 -6.030 10.701 1.00 0.00 C ATOM 97 C GLU A 33 3.030 -5.884 9.553 1.00 0.00 C ATOM 98 O GLU A 33 2.241 -4.952 9.512 1.00 0.00 O ATOM 99 CB GLU A 33 3.407 -6.743 11.906 1.00 0.00 C ATOM 100 CG GLU A 33 2.239 -5.921 12.461 1.00 0.00 C ATOM 101 CD GLU A 33 1.126 -6.860 12.937 1.00 0.00 C ATOM 102 OE1 GLU A 33 0.920 -7.876 12.294 1.00 0.00 O ATOM 103 OE2 GLU A 33 0.501 -6.544 13.936 1.00 0.00 O ATOM 0 H GLU A 33 3.766 -4.169 11.730 1.00 0.00 H new ATOM 0 HA GLU A 33 4.873 -6.599 10.297 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.056 -7.732 11.610 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.158 -6.890 12.682 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.581 -5.298 13.288 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.857 -5.249 11.692 1.00 0.00 H new ATOM 110 N ALA A 34 3.068 -6.801 8.609 1.00 0.00 N ATOM 111 CA ALA A 34 2.140 -6.738 7.444 1.00 0.00 C ATOM 112 C ALA A 34 1.119 -7.874 7.432 1.00 0.00 C ATOM 113 O ALA A 34 1.483 -9.056 7.497 1.00 0.00 O ATOM 114 CB ALA A 34 3.025 -6.843 6.210 1.00 0.00 C ATOM 0 H ALA A 34 3.710 -7.594 8.602 1.00 0.00 H new ATOM 0 HA ALA A 34 1.562 -5.815 7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.406 -6.803 5.314 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.733 -6.015 6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.570 -7.786 6.233 1.00 0.00 H new ATOM 120 N VAL A 35 -0.136 -7.498 7.258 1.00 0.00 N ATOM 121 CA VAL A 35 -1.262 -8.476 7.130 1.00 0.00 C ATOM 122 C VAL A 35 -2.016 -8.108 5.838 1.00 0.00 C ATOM 123 O VAL A 35 -2.175 -6.933 5.545 1.00 0.00 O ATOM 124 CB VAL A 35 -2.130 -8.303 8.375 1.00 0.00 C ATOM 125 CG1 VAL A 35 -3.371 -9.195 8.275 1.00 0.00 C ATOM 126 CG2 VAL A 35 -1.325 -8.710 9.604 1.00 0.00 C ATOM 0 H VAL A 35 -0.427 -6.522 7.199 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.946 -9.517 7.066 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.440 -7.261 8.455 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.985 -9.066 9.167 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.949 -8.917 7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.064 -10.238 8.194 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.938 -8.589 10.497 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.021 -9.753 9.511 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.439 -8.080 9.684 1.00 0.00 H new ATOM 136 N LEU A 36 -2.412 -9.078 5.028 1.00 0.00 N ATOM 137 CA LEU A 36 -3.071 -8.733 3.715 1.00 0.00 C ATOM 138 C LEU A 36 -4.456 -9.371 3.486 1.00 0.00 C ATOM 139 O LEU A 36 -4.629 -10.573 3.522 1.00 0.00 O ATOM 140 CB LEU A 36 -2.088 -9.232 2.649 1.00 0.00 C ATOM 141 CG LEU A 36 -1.995 -8.217 1.504 1.00 0.00 C ATOM 142 CD1 LEU A 36 -0.931 -8.675 0.504 1.00 0.00 C ATOM 143 CD2 LEU A 36 -3.348 -8.113 0.795 1.00 0.00 C ATOM 0 H LEU A 36 -2.309 -10.075 5.216 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.270 -7.662 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.104 -9.383 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.416 -10.198 2.264 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.723 -7.242 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.863 -7.954 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.034 -8.746 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.204 -9.651 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.278 -7.391 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.623 -9.088 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.107 -7.787 1.506 1.00 0.00 H new ATOM 155 N ASN A 37 -5.424 -8.529 3.186 1.00 0.00 N ATOM 156 CA ASN A 37 -6.831 -8.951 2.859 1.00 0.00 C ATOM 157 C ASN A 37 -7.515 -9.749 3.969 1.00 0.00 C ATOM 158 O ASN A 37 -8.529 -10.374 3.723 1.00 0.00 O ATOM 159 CB ASN A 37 -6.717 -9.815 1.593 1.00 0.00 C ATOM 160 CG ASN A 37 -6.200 -8.967 0.425 1.00 0.00 C ATOM 161 OD1 ASN A 37 -6.261 -7.752 0.462 1.00 0.00 O ATOM 162 ND2 ASN A 37 -5.690 -9.561 -0.619 1.00 0.00 N ATOM 0 H ASN A 37 -5.287 -7.519 3.154 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.451 -8.064 2.727 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.042 -10.651 1.773 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.690 -10.239 1.343 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.343 -9.007 -1.402 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.638 -10.579 -0.652 1.00 0.00 H new ATOM 169 N GLY A 38 -7.018 -9.695 5.181 1.00 0.00 N ATOM 170 CA GLY A 38 -7.666 -10.439 6.305 1.00 0.00 C ATOM 171 C GLY A 38 -6.831 -11.674 6.692 1.00 0.00 C ATOM 172 O GLY A 38 -7.103 -12.307 7.697 1.00 0.00 O ATOM 0 H GLY A 38 -6.187 -9.164 5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.775 -9.782 7.168 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.669 -10.749 6.012 1.00 0.00 H new ATOM 176 N LYS A 39 -5.815 -12.021 5.918 1.00 0.00 N ATOM 177 CA LYS A 39 -4.968 -13.201 6.255 1.00 0.00 C ATOM 178 C LYS A 39 -3.693 -12.721 6.937 1.00 0.00 C ATOM 179 O LYS A 39 -3.235 -11.615 6.700 1.00 0.00 O ATOM 180 CB LYS A 39 -4.649 -13.866 4.917 1.00 0.00 C ATOM 181 CG LYS A 39 -5.789 -14.811 4.537 1.00 0.00 C ATOM 182 CD LYS A 39 -5.435 -15.548 3.244 1.00 0.00 C ATOM 183 CE LYS A 39 -6.619 -16.412 2.806 1.00 0.00 C ATOM 184 NZ LYS A 39 -6.019 -17.503 1.992 1.00 0.00 N ATOM 0 H LYS A 39 -5.544 -11.528 5.067 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.463 -13.896 6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.516 -13.109 4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.712 -14.418 4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.964 -15.527 5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.713 -14.248 4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.185 -14.831 2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.554 -16.171 3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.156 -16.811 3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.336 -15.833 2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.770 -18.138 1.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.520 -17.094 1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.346 -18.041 2.575 1.00 0.00 H new ATOM 198 N GLY A 40 -3.138 -13.531 7.802 1.00 0.00 N ATOM 199 CA GLY A 40 -1.911 -13.131 8.536 1.00 0.00 C ATOM 200 C GLY A 40 -0.697 -13.158 7.607 1.00 0.00 C ATOM 201 O GLY A 40 -0.283 -14.192 7.119 1.00 0.00 O ATOM 0 H GLY A 40 -3.490 -14.461 8.030 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.038 -12.130 8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.748 -13.805 9.377 1.00 0.00 H new ATOM 205 N LEU A 41 -0.109 -12.012 7.412 1.00 0.00 N ATOM 206 CA LEU A 41 1.114 -11.895 6.573 1.00 0.00 C ATOM 207 C LEU A 41 2.304 -11.636 7.518 1.00 0.00 C ATOM 208 O LEU A 41 2.137 -11.438 8.706 1.00 0.00 O ATOM 209 CB LEU A 41 0.924 -10.810 5.480 1.00 0.00 C ATOM 210 CG LEU A 41 1.009 -11.429 4.073 1.00 0.00 C ATOM 211 CD1 LEU A 41 2.373 -12.100 3.869 1.00 0.00 C ATOM 212 CD2 LEU A 41 -0.101 -12.463 3.892 1.00 0.00 C ATOM 0 H LEU A 41 -0.434 -11.130 7.809 1.00 0.00 H new ATOM 0 HA LEU A 41 1.315 -12.814 6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.042 -10.322 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.687 -10.040 5.590 1.00 0.00 H new ATOM 0 HG LEU A 41 0.889 -10.636 3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.419 -12.534 2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.164 -11.358 3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.507 -12.886 4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.035 -12.897 2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.010 -13.250 4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.071 -11.981 4.014 1.00 0.00 H new ATOM 224 N GLY A 42 3.473 -11.753 7.008 1.00 0.00 N ATOM 225 CA GLY A 42 4.726 -11.657 7.828 1.00 0.00 C ATOM 226 C GLY A 42 5.008 -10.266 8.391 1.00 0.00 C ATOM 227 O GLY A 42 4.233 -9.338 8.262 1.00 0.00 O ATOM 0 H GLY A 42 3.639 -11.919 6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.659 -12.363 8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.572 -11.965 7.214 1.00 0.00 H new ATOM 231 N THR A 43 6.153 -10.147 9.027 1.00 0.00 N ATOM 232 CA THR A 43 6.586 -8.862 9.638 1.00 0.00 C ATOM 233 C THR A 43 7.774 -8.311 8.850 1.00 0.00 C ATOM 234 O THR A 43 8.560 -9.074 8.316 1.00 0.00 O ATOM 235 CB THR A 43 6.983 -9.198 11.085 1.00 0.00 C ATOM 236 OG1 THR A 43 7.441 -8.020 11.731 1.00 0.00 O ATOM 237 CG2 THR A 43 8.092 -10.256 11.101 1.00 0.00 C ATOM 0 H THR A 43 6.817 -10.912 9.147 1.00 0.00 H new ATOM 0 HA THR A 43 5.804 -8.103 9.623 1.00 0.00 H new ATOM 0 HB THR A 43 6.113 -9.593 11.610 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.693 -8.230 12.654 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.363 -10.484 12.132 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.737 -11.162 10.610 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.966 -9.875 10.572 1.00 0.00 H new ATOM 245 N GLY A 44 7.890 -7.004 8.737 1.00 0.00 N ATOM 246 CA GLY A 44 9.008 -6.422 7.941 1.00 0.00 C ATOM 247 C GLY A 44 9.085 -4.913 8.106 1.00 0.00 C ATOM 248 O GLY A 44 8.688 -4.353 9.113 1.00 0.00 O ATOM 0 H GLY A 44 7.259 -6.324 9.162 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.951 -6.871 8.254 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.872 -6.667 6.888 1.00 0.00 H new ATOM 252 N THR A 45 9.626 -4.266 7.113 1.00 0.00 N ATOM 253 CA THR A 45 9.786 -2.775 7.163 1.00 0.00 C ATOM 254 C THR A 45 9.026 -2.101 6.018 1.00 0.00 C ATOM 255 O THR A 45 8.937 -2.638 4.927 1.00 0.00 O ATOM 256 CB THR A 45 11.290 -2.535 7.017 1.00 0.00 C ATOM 257 OG1 THR A 45 11.742 -3.107 5.798 1.00 0.00 O ATOM 258 CG2 THR A 45 12.029 -3.181 8.191 1.00 0.00 C ATOM 0 H THR A 45 9.969 -4.705 6.259 1.00 0.00 H new ATOM 0 HA THR A 45 9.386 -2.357 8.087 1.00 0.00 H new ATOM 0 HB THR A 45 11.489 -1.463 7.012 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.705 -2.953 5.702 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.100 -3.009 8.086 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.681 -2.742 9.126 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.833 -4.253 8.199 1.00 0.00 H new ATOM 266 N LEU A 46 8.480 -0.928 6.263 1.00 0.00 N ATOM 267 CA LEU A 46 7.725 -0.208 5.189 1.00 0.00 C ATOM 268 C LEU A 46 8.419 1.105 4.812 1.00 0.00 C ATOM 269 O LEU A 46 8.578 1.989 5.635 1.00 0.00 O ATOM 270 CB LEU A 46 6.365 0.094 5.824 1.00 0.00 C ATOM 271 CG LEU A 46 5.409 0.680 4.778 1.00 0.00 C ATOM 272 CD1 LEU A 46 3.963 0.419 5.209 1.00 0.00 C ATOM 273 CD2 LEU A 46 5.634 2.190 4.660 1.00 0.00 C ATOM 0 H LEU A 46 8.526 -0.442 7.159 1.00 0.00 H new ATOM 0 HA LEU A 46 7.654 -0.799 4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.941 -0.818 6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.489 0.797 6.648 1.00 0.00 H new ATOM 0 HG LEU A 46 5.598 0.208 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.281 0.835 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.797 -0.655 5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.780 0.891 6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.953 2.602 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.447 2.662 5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.663 2.382 4.356 1.00 0.00 H new ATOM 285 N TYR A 47 8.779 1.253 3.560 1.00 0.00 N ATOM 286 CA TYR A 47 9.409 2.537 3.090 1.00 0.00 C ATOM 287 C TYR A 47 8.439 3.232 2.132 1.00 0.00 C ATOM 288 O TYR A 47 8.014 2.654 1.146 1.00 0.00 O ATOM 289 CB TYR A 47 10.783 2.256 2.390 1.00 0.00 C ATOM 290 CG TYR A 47 10.956 0.832 1.877 1.00 0.00 C ATOM 291 CD1 TYR A 47 11.074 -0.228 2.782 1.00 0.00 C ATOM 292 CD2 TYR A 47 11.019 0.585 0.500 1.00 0.00 C ATOM 293 CE1 TYR A 47 11.248 -1.532 2.315 1.00 0.00 C ATOM 294 CE2 TYR A 47 11.191 -0.723 0.031 1.00 0.00 C ATOM 295 CZ TYR A 47 11.308 -1.782 0.938 1.00 0.00 C ATOM 296 OH TYR A 47 11.479 -3.070 0.474 1.00 0.00 O ATOM 0 H TYR A 47 8.665 0.541 2.838 1.00 0.00 H new ATOM 0 HA TYR A 47 9.606 3.186 3.943 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.897 2.945 1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.586 2.474 3.094 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.030 -0.037 3.844 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.935 1.403 -0.200 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.336 -2.349 3.016 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.233 -0.915 -1.031 1.00 0.00 H new ATOM 0 HH TYR A 47 11.498 -3.065 -0.506 1.00 0.00 H new ATOM 306 N ILE A 48 8.074 4.457 2.424 1.00 0.00 N ATOM 307 CA ILE A 48 7.112 5.197 1.544 1.00 0.00 C ATOM 308 C ILE A 48 7.875 5.979 0.469 1.00 0.00 C ATOM 309 O ILE A 48 8.907 6.568 0.732 1.00 0.00 O ATOM 310 CB ILE A 48 6.352 6.144 2.484 1.00 0.00 C ATOM 311 CG1 ILE A 48 5.614 5.323 3.548 1.00 0.00 C ATOM 312 CG2 ILE A 48 5.328 6.961 1.690 1.00 0.00 C ATOM 313 CD1 ILE A 48 5.096 6.255 4.642 1.00 0.00 C ATOM 0 H ILE A 48 8.402 4.979 3.237 1.00 0.00 H new ATOM 0 HA ILE A 48 6.431 4.528 1.018 1.00 0.00 H new ATOM 0 HB ILE A 48 7.065 6.818 2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.784 4.781 3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.284 4.578 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.794 7.630 2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.842 7.548 0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.618 6.287 1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.571 5.672 5.399 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.935 6.776 5.103 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.412 6.983 4.206 1.00 0.00 H new ATOM 325 N ALA A 49 7.363 5.981 -0.738 1.00 0.00 N ATOM 326 CA ALA A 49 8.032 6.714 -1.852 1.00 0.00 C ATOM 327 C ALA A 49 7.050 7.685 -2.502 1.00 0.00 C ATOM 328 O ALA A 49 5.888 7.739 -2.142 1.00 0.00 O ATOM 329 CB ALA A 49 8.452 5.631 -2.845 1.00 0.00 C ATOM 0 H ALA A 49 6.502 5.501 -0.999 1.00 0.00 H new ATOM 0 HA ALA A 49 8.884 7.302 -1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.953 6.092 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.133 4.934 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.570 5.093 -3.191 1.00 0.00 H new ATOM 335 N GLU A 50 7.511 8.455 -3.459 1.00 0.00 N ATOM 336 CA GLU A 50 6.614 9.442 -4.151 1.00 0.00 C ATOM 337 C GLU A 50 5.382 8.742 -4.746 1.00 0.00 C ATOM 338 O GLU A 50 5.454 8.101 -5.776 1.00 0.00 O ATOM 339 CB GLU A 50 7.463 10.054 -5.270 1.00 0.00 C ATOM 340 CG GLU A 50 6.676 11.173 -5.954 1.00 0.00 C ATOM 341 CD GLU A 50 7.476 11.709 -7.144 1.00 0.00 C ATOM 342 OE1 GLU A 50 8.155 10.920 -7.781 1.00 0.00 O ATOM 343 OE2 GLU A 50 7.395 12.899 -7.398 1.00 0.00 O ATOM 0 H GLU A 50 8.474 8.444 -3.794 1.00 0.00 H new ATOM 0 HA GLU A 50 6.244 10.196 -3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.394 10.447 -4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.733 9.288 -5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.710 10.798 -6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.476 11.977 -5.245 1.00 0.00 H new ATOM 350 N SER A 51 4.247 8.864 -4.094 1.00 0.00 N ATOM 351 CA SER A 51 2.981 8.217 -4.593 1.00 0.00 C ATOM 352 C SER A 51 3.182 6.713 -4.812 1.00 0.00 C ATOM 353 O SER A 51 2.502 6.102 -5.617 1.00 0.00 O ATOM 354 CB SER A 51 2.643 8.915 -5.916 1.00 0.00 C ATOM 355 OG SER A 51 2.634 10.323 -5.716 1.00 0.00 O ATOM 0 H SER A 51 4.140 9.390 -3.227 1.00 0.00 H new ATOM 0 HA SER A 51 2.174 8.321 -3.868 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.376 8.649 -6.678 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.671 8.581 -6.278 1.00 0.00 H new ATOM 0 HG SER A 51 2.420 10.772 -6.560 1.00 0.00 H new ATOM 361 N ARG A 52 4.105 6.118 -4.095 1.00 0.00 N ATOM 362 CA ARG A 52 4.360 4.652 -4.238 1.00 0.00 C ATOM 363 C ARG A 52 4.777 4.067 -2.888 1.00 0.00 C ATOM 364 O ARG A 52 5.593 4.646 -2.189 1.00 0.00 O ATOM 365 CB ARG A 52 5.503 4.544 -5.248 1.00 0.00 C ATOM 366 CG ARG A 52 5.743 3.073 -5.597 1.00 0.00 C ATOM 367 CD ARG A 52 6.917 2.964 -6.572 1.00 0.00 C ATOM 368 NE ARG A 52 6.970 1.527 -6.953 1.00 0.00 N ATOM 369 CZ ARG A 52 6.767 1.172 -8.191 1.00 0.00 C ATOM 370 NH1 ARG A 52 7.685 1.396 -9.092 1.00 0.00 N ATOM 371 NH2 ARG A 52 5.649 0.590 -8.531 1.00 0.00 N ATOM 0 H ARG A 52 4.697 6.590 -3.412 1.00 0.00 H new ATOM 0 HA ARG A 52 3.478 4.104 -4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.260 5.107 -6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.411 4.983 -4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.954 2.503 -4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.846 2.643 -6.042 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.765 3.598 -7.445 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.849 3.283 -6.105 1.00 0.00 H new ATOM 0 HE ARG A 52 7.165 0.819 -6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.560 1.848 -8.827 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.527 1.119 -10.061 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.932 0.412 -7.828 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.492 0.313 -9.500 1.00 0.00 H new ATOM 385 N LEU A 53 4.226 2.932 -2.514 1.00 0.00 N ATOM 386 CA LEU A 53 4.591 2.311 -1.204 1.00 0.00 C ATOM 387 C LEU A 53 5.345 1.005 -1.440 1.00 0.00 C ATOM 388 O LEU A 53 4.863 0.125 -2.129 1.00 0.00 O ATOM 389 CB LEU A 53 3.256 2.046 -0.504 1.00 0.00 C ATOM 390 CG LEU A 53 3.416 2.266 1.000 1.00 0.00 C ATOM 391 CD1 LEU A 53 2.035 2.311 1.659 1.00 0.00 C ATOM 392 CD2 LEU A 53 4.228 1.117 1.600 1.00 0.00 C ATOM 0 H LEU A 53 3.540 2.412 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 53 5.240 2.951 -0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.488 2.710 -0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.927 1.026 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 53 3.934 3.209 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.149 2.468 2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.455 3.129 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.517 1.368 1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.342 1.274 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.710 0.174 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.212 1.083 1.131 1.00 0.00 H new ATOM 404 N SER A 54 6.519 0.873 -0.869 1.00 0.00 N ATOM 405 CA SER A 54 7.315 -0.378 -1.051 1.00 0.00 C ATOM 406 C SER A 54 7.501 -1.066 0.301 1.00 0.00 C ATOM 407 O SER A 54 7.916 -0.450 1.267 1.00 0.00 O ATOM 408 CB SER A 54 8.652 0.080 -1.626 1.00 0.00 C ATOM 409 OG SER A 54 8.450 0.571 -2.945 1.00 0.00 O ATOM 0 H SER A 54 6.960 1.582 -0.283 1.00 0.00 H new ATOM 0 HA SER A 54 6.828 -1.097 -1.710 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.084 0.859 -0.997 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.359 -0.749 -1.638 1.00 0.00 H new ATOM 0 HG SER A 54 9.306 0.868 -3.318 1.00 0.00 H new ATOM 415 N TRP A 55 7.169 -2.334 0.378 1.00 0.00 N ATOM 416 CA TRP A 55 7.291 -3.075 1.673 1.00 0.00 C ATOM 417 C TRP A 55 8.279 -4.231 1.562 1.00 0.00 C ATOM 418 O TRP A 55 8.348 -4.905 0.548 1.00 0.00 O ATOM 419 CB TRP A 55 5.884 -3.613 1.944 1.00 0.00 C ATOM 420 CG TRP A 55 5.558 -3.505 3.401 1.00 0.00 C ATOM 421 CD1 TRP A 55 4.996 -2.426 3.978 1.00 0.00 C ATOM 422 CD2 TRP A 55 5.740 -4.492 4.463 1.00 0.00 C ATOM 423 NE1 TRP A 55 4.815 -2.685 5.325 1.00 0.00 N ATOM 424 CE2 TRP A 55 5.259 -3.938 5.673 1.00 0.00 C ATOM 425 CE3 TRP A 55 6.268 -5.794 4.497 1.00 0.00 C ATOM 426 CZ2 TRP A 55 5.293 -4.647 6.868 1.00 0.00 C ATOM 427 CZ3 TRP A 55 6.298 -6.513 5.700 1.00 0.00 C ATOM 428 CH2 TRP A 55 5.810 -5.939 6.881 1.00 0.00 C ATOM 0 H TRP A 55 6.818 -2.888 -0.403 1.00 0.00 H new ATOM 0 HA TRP A 55 7.661 -2.431 2.471 1.00 0.00 H new ATOM 0 HB2 TRP A 55 5.154 -3.053 1.359 1.00 0.00 H new ATOM 0 HB3 TRP A 55 5.818 -4.653 1.626 1.00 0.00 H new ATOM 0 HD1 TRP A 55 4.730 -1.509 3.473 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.401 -2.024 5.982 1.00 0.00 H new ATOM 0 HE3 TRP A 55 6.652 -6.242 3.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.922 -4.199 7.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.700 -7.515 5.716 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.835 -6.500 7.803 1.00 0.00 H new ATOM 439 N LEU A 56 9.014 -4.481 2.619 1.00 0.00 N ATOM 440 CA LEU A 56 9.975 -5.617 2.617 1.00 0.00 C ATOM 441 C LEU A 56 9.465 -6.687 3.580 1.00 0.00 C ATOM 442 O LEU A 56 9.153 -6.395 4.721 1.00 0.00 O ATOM 443 CB LEU A 56 11.316 -5.009 3.077 1.00 0.00 C ATOM 444 CG LEU A 56 12.479 -6.044 3.123 1.00 0.00 C ATOM 445 CD1 LEU A 56 12.331 -6.931 4.346 1.00 0.00 C ATOM 446 CD2 LEU A 56 12.514 -6.938 1.869 1.00 0.00 C ATOM 0 H LEU A 56 8.986 -3.942 3.484 1.00 0.00 H new ATOM 0 HA LEU A 56 10.091 -6.095 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.589 -4.197 2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.188 -4.572 4.068 1.00 0.00 H new ATOM 0 HG LEU A 56 13.409 -5.478 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.147 -7.653 4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.360 -6.317 5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.380 -7.461 4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.342 -7.643 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.576 -7.487 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.649 -6.317 0.983 1.00 0.00 H new ATOM 458 N ASP A 57 9.372 -7.921 3.122 1.00 0.00 N ATOM 459 CA ASP A 57 8.863 -9.025 4.002 1.00 0.00 C ATOM 460 C ASP A 57 9.985 -9.621 4.861 1.00 0.00 C ATOM 461 O ASP A 57 11.092 -9.870 4.398 1.00 0.00 O ATOM 462 CB ASP A 57 8.284 -10.103 3.072 1.00 0.00 C ATOM 463 CG ASP A 57 7.225 -9.496 2.144 1.00 0.00 C ATOM 464 OD1 ASP A 57 6.247 -8.977 2.655 1.00 0.00 O ATOM 465 OD2 ASP A 57 7.415 -9.560 0.940 1.00 0.00 O ATOM 0 H ASP A 57 9.627 -8.207 2.177 1.00 0.00 H new ATOM 0 HA ASP A 57 8.109 -8.640 4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.083 -10.549 2.480 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.842 -10.904 3.664 1.00 0.00 H new ATOM 470 N GLY A 58 9.667 -9.874 6.109 1.00 0.00 N ATOM 471 CA GLY A 58 10.636 -10.460 7.092 1.00 0.00 C ATOM 472 C GLY A 58 11.278 -11.767 6.602 1.00 0.00 C ATOM 473 O GLY A 58 12.267 -12.201 7.169 1.00 0.00 O ATOM 0 H GLY A 58 8.743 -9.692 6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.421 -9.732 7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.120 -10.647 8.034 1.00 0.00 H new ATOM 477 N SER A 59 10.744 -12.406 5.577 1.00 0.00 N ATOM 478 CA SER A 59 11.350 -13.686 5.086 1.00 0.00 C ATOM 479 C SER A 59 12.486 -13.422 4.082 1.00 0.00 C ATOM 480 O SER A 59 12.911 -14.329 3.386 1.00 0.00 O ATOM 481 CB SER A 59 10.201 -14.429 4.403 1.00 0.00 C ATOM 482 OG SER A 59 9.245 -14.816 5.381 1.00 0.00 O ATOM 0 H SER A 59 9.919 -12.094 5.065 1.00 0.00 H new ATOM 0 HA SER A 59 11.792 -14.257 5.902 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.734 -13.790 3.654 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.580 -15.307 3.881 1.00 0.00 H new ATOM 0 HG SER A 59 8.506 -15.291 4.946 1.00 0.00 H new ATOM 488 N GLY A 60 12.984 -12.199 4.000 1.00 0.00 N ATOM 489 CA GLY A 60 14.089 -11.894 3.047 1.00 0.00 C ATOM 490 C GLY A 60 13.535 -11.656 1.650 1.00 0.00 C ATOM 491 O GLY A 60 14.229 -11.847 0.665 1.00 0.00 O ATOM 0 H GLY A 60 12.665 -11.406 4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.635 -11.013 3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.799 -12.721 3.027 1.00 0.00 H new ATOM 495 N LEU A 61 12.294 -11.248 1.559 1.00 0.00 N ATOM 496 CA LEU A 61 11.683 -10.999 0.222 1.00 0.00 C ATOM 497 C LEU A 61 11.046 -9.619 0.197 1.00 0.00 C ATOM 498 O LEU A 61 10.185 -9.312 0.997 1.00 0.00 O ATOM 499 CB LEU A 61 10.617 -12.085 0.058 1.00 0.00 C ATOM 500 CG LEU A 61 11.279 -13.463 0.084 1.00 0.00 C ATOM 501 CD1 LEU A 61 10.201 -14.549 0.066 1.00 0.00 C ATOM 502 CD2 LEU A 61 12.178 -13.623 -1.146 1.00 0.00 C ATOM 0 H LEU A 61 11.679 -11.077 2.355 1.00 0.00 H new ATOM 0 HA LEU A 61 12.418 -11.032 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.880 -12.009 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.083 -11.945 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 61 11.878 -13.558 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.674 -15.531 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.559 -14.439 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.602 -14.452 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.650 -14.606 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.578 -13.526 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.947 -12.851 -1.137 1.00 0.00 H new ATOM 514 N GLY A 62 11.478 -8.789 -0.713 1.00 0.00 N ATOM 515 CA GLY A 62 10.916 -7.418 -0.804 1.00 0.00 C ATOM 516 C GLY A 62 9.896 -7.337 -1.928 1.00 0.00 C ATOM 517 O GLY A 62 10.019 -8.005 -2.939 1.00 0.00 O ATOM 0 H GLY A 62 12.200 -9.006 -1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.447 -7.147 0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.718 -6.700 -0.979 1.00 0.00 H new ATOM 521 N PHE A 63 8.895 -6.507 -1.757 1.00 0.00 N ATOM 522 CA PHE A 63 7.865 -6.340 -2.829 1.00 0.00 C ATOM 523 C PHE A 63 7.234 -4.947 -2.761 1.00 0.00 C ATOM 524 O PHE A 63 7.110 -4.360 -1.700 1.00 0.00 O ATOM 525 CB PHE A 63 6.850 -7.494 -2.661 1.00 0.00 C ATOM 526 CG PHE A 63 5.909 -7.296 -1.487 1.00 0.00 C ATOM 527 CD1 PHE A 63 6.408 -7.150 -0.189 1.00 0.00 C ATOM 528 CD2 PHE A 63 4.526 -7.297 -1.708 1.00 0.00 C ATOM 529 CE1 PHE A 63 5.525 -7.006 0.886 1.00 0.00 C ATOM 530 CE2 PHE A 63 3.642 -7.147 -0.633 1.00 0.00 C ATOM 531 CZ PHE A 63 4.140 -7.002 0.665 1.00 0.00 C ATOM 0 H PHE A 63 8.747 -5.939 -0.923 1.00 0.00 H new ATOM 0 HA PHE A 63 8.301 -6.400 -3.826 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.265 -7.590 -3.575 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.392 -8.430 -2.530 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.474 -7.148 -0.017 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.141 -7.414 -2.710 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.911 -6.898 1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.576 -7.143 -0.806 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.460 -6.887 1.496 1.00 0.00 H new ATOM 541 N SER A 64 6.870 -4.410 -3.901 1.00 0.00 N ATOM 542 CA SER A 64 6.283 -3.039 -3.944 1.00 0.00 C ATOM 543 C SER A 64 4.757 -3.093 -3.878 1.00 0.00 C ATOM 544 O SER A 64 4.137 -4.034 -4.342 1.00 0.00 O ATOM 545 CB SER A 64 6.739 -2.461 -5.281 1.00 0.00 C ATOM 546 OG SER A 64 6.179 -3.226 -6.341 1.00 0.00 O ATOM 0 H SER A 64 6.956 -4.868 -4.808 1.00 0.00 H new ATOM 0 HA SER A 64 6.605 -2.433 -3.097 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.427 -1.420 -5.365 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.827 -2.474 -5.343 1.00 0.00 H new ATOM 0 HG SER A 64 6.469 -2.855 -7.201 1.00 0.00 H new ATOM 552 N LEU A 65 4.158 -2.081 -3.299 1.00 0.00 N ATOM 553 CA LEU A 65 2.667 -2.044 -3.184 1.00 0.00 C ATOM 554 C LEU A 65 2.128 -0.674 -3.625 1.00 0.00 C ATOM 555 O LEU A 65 2.688 0.368 -3.317 1.00 0.00 O ATOM 556 CB LEU A 65 2.370 -2.295 -1.696 1.00 0.00 C ATOM 557 CG LEU A 65 1.309 -3.388 -1.554 1.00 0.00 C ATOM 558 CD1 LEU A 65 1.194 -3.800 -0.088 1.00 0.00 C ATOM 559 CD2 LEU A 65 -0.041 -2.853 -2.036 1.00 0.00 C ATOM 0 H LEU A 65 4.640 -1.276 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 65 2.189 -2.787 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.282 -2.592 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.022 -1.375 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 65 1.596 -4.251 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.438 -4.579 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.155 -4.180 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.907 -2.936 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.798 -3.631 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.326 -1.990 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.038 -2.557 -3.082 1.00 0.00 H new ATOM 654 N SER A 71 -8.193 2.525 1.082 1.00 0.00 N ATOM 655 CA SER A 71 -9.659 2.815 0.966 1.00 0.00 C ATOM 656 C SER A 71 -10.229 3.188 2.342 1.00 0.00 C ATOM 657 O SER A 71 -10.428 4.354 2.639 1.00 0.00 O ATOM 658 CB SER A 71 -10.280 1.520 0.439 1.00 0.00 C ATOM 659 OG SER A 71 -11.677 1.529 0.703 1.00 0.00 O ATOM 0 HA SER A 71 -9.871 3.654 0.304 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.101 1.427 -0.632 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.813 0.658 0.916 1.00 0.00 H new ATOM 0 HG SER A 71 -11.877 0.898 1.426 1.00 0.00 H new ATOM 665 N LEU A 72 -10.484 2.212 3.187 1.00 0.00 N ATOM 666 CA LEU A 72 -11.027 2.500 4.551 1.00 0.00 C ATOM 667 C LEU A 72 -9.915 2.298 5.573 1.00 0.00 C ATOM 668 O LEU A 72 -9.617 1.180 5.896 1.00 0.00 O ATOM 669 CB LEU A 72 -12.147 1.458 4.744 1.00 0.00 C ATOM 670 CG LEU A 72 -12.825 1.589 6.125 1.00 0.00 C ATOM 671 CD1 LEU A 72 -14.181 0.885 6.076 1.00 0.00 C ATOM 672 CD2 LEU A 72 -11.989 0.919 7.219 1.00 0.00 C ATOM 0 H LEU A 72 -10.337 1.223 2.985 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.399 3.518 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.894 1.579 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.732 0.456 4.637 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.931 2.649 6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.671 0.970 7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.805 1.350 5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.036 -0.168 5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.492 1.028 8.180 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.871 -0.140 6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.008 1.391 7.268 1.00 0.00 H new ATOM 684 N HIS A 73 -9.289 3.354 6.065 1.00 0.00 N ATOM 685 CA HIS A 73 -8.164 3.179 7.046 1.00 0.00 C ATOM 686 C HIS A 73 -8.571 3.527 8.485 1.00 0.00 C ATOM 687 O HIS A 73 -9.436 4.343 8.737 1.00 0.00 O ATOM 688 CB HIS A 73 -7.031 4.096 6.543 1.00 0.00 C ATOM 689 CG HIS A 73 -7.396 5.568 6.597 1.00 0.00 C ATOM 690 ND1 HIS A 73 -8.649 6.049 6.968 1.00 0.00 N ATOM 691 CD2 HIS A 73 -6.647 6.686 6.308 1.00 0.00 C ATOM 692 CE1 HIS A 73 -8.610 7.390 6.890 1.00 0.00 C ATOM 693 NE2 HIS A 73 -7.415 7.830 6.494 1.00 0.00 N ATOM 0 H HIS A 73 -9.510 4.321 5.829 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.854 2.135 7.092 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.138 3.926 7.145 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.780 3.826 5.517 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -9.452 5.485 7.248 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -5.616 6.676 5.985 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.446 8.034 7.120 1.00 0.00 H new ATOM 701 N ALA A 74 -7.961 2.848 9.427 1.00 0.00 N ATOM 702 CA ALA A 74 -8.289 3.054 10.867 1.00 0.00 C ATOM 703 C ALA A 74 -7.020 3.372 11.663 1.00 0.00 C ATOM 704 O ALA A 74 -6.022 2.679 11.555 1.00 0.00 O ATOM 705 CB ALA A 74 -8.872 1.709 11.323 1.00 0.00 C ATOM 0 H ALA A 74 -7.239 2.149 9.252 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.978 3.885 11.020 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.143 1.769 12.377 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.759 1.478 10.733 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.129 0.924 11.183 1.00 0.00 H new ATOM 711 N VAL A 75 -7.065 4.410 12.466 1.00 0.00 N ATOM 712 CA VAL A 75 -5.872 4.788 13.288 1.00 0.00 C ATOM 713 C VAL A 75 -6.023 4.217 14.705 1.00 0.00 C ATOM 714 O VAL A 75 -5.071 3.734 15.290 1.00 0.00 O ATOM 715 CB VAL A 75 -5.874 6.325 13.313 1.00 0.00 C ATOM 716 CG1 VAL A 75 -4.691 6.836 14.145 1.00 0.00 C ATOM 717 CG2 VAL A 75 -5.748 6.861 11.882 1.00 0.00 C ATOM 0 H VAL A 75 -7.879 5.012 12.587 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.939 4.397 12.882 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.807 6.671 13.757 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.699 7.926 14.158 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.774 6.460 15.165 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.758 6.485 13.704 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.749 7.951 11.900 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.816 6.507 11.442 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.589 6.507 11.286 1.00 0.00 H new ATOM 876 N GLU A 85 -0.661 1.269 18.974 1.00 0.00 N ATOM 877 CA GLU A 85 -0.961 1.974 17.690 1.00 0.00 C ATOM 878 C GLU A 85 -1.096 0.949 16.559 1.00 0.00 C ATOM 879 O GLU A 85 -0.549 -0.138 16.637 1.00 0.00 O ATOM 880 CB GLU A 85 0.234 2.898 17.454 1.00 0.00 C ATOM 881 CG GLU A 85 0.321 3.914 18.599 1.00 0.00 C ATOM 882 CD GLU A 85 1.482 4.875 18.346 1.00 0.00 C ATOM 883 OE1 GLU A 85 1.723 5.189 17.194 1.00 0.00 O ATOM 884 OE2 GLU A 85 2.111 5.281 19.310 1.00 0.00 O ATOM 0 HA GLU A 85 -1.895 2.534 17.725 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.154 2.316 17.398 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.126 3.415 16.501 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.614 4.470 18.677 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.464 3.396 19.548 1.00 0.00 H new ATOM 891 N HIS A 86 -1.832 1.281 15.521 1.00 0.00 N ATOM 892 CA HIS A 86 -2.024 0.315 14.390 1.00 0.00 C ATOM 893 C HIS A 86 -2.667 1.003 13.180 1.00 0.00 C ATOM 894 O HIS A 86 -3.578 1.800 13.340 1.00 0.00 O ATOM 895 CB HIS A 86 -2.964 -0.765 14.956 1.00 0.00 C ATOM 896 CG HIS A 86 -4.273 -0.162 15.411 1.00 0.00 C ATOM 897 ND1 HIS A 86 -5.262 0.217 14.518 1.00 0.00 N ATOM 898 CD2 HIS A 86 -4.763 0.123 16.660 1.00 0.00 C ATOM 899 CE1 HIS A 86 -6.289 0.704 15.235 1.00 0.00 C ATOM 900 NE2 HIS A 86 -6.038 0.671 16.547 1.00 0.00 N ATOM 0 H HIS A 86 -2.306 2.177 15.409 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.077 -0.096 14.041 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.154 -1.522 14.195 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.482 -1.269 15.793 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -5.219 0.140 13.502 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.240 -0.051 17.589 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -7.206 1.077 14.803 1.00 0.00 H new ATOM 908 N LEU A 87 -2.229 0.678 11.970 1.00 0.00 N ATOM 909 CA LEU A 87 -2.862 1.297 10.768 1.00 0.00 C ATOM 910 C LEU A 87 -3.594 0.211 9.986 1.00 0.00 C ATOM 911 O LEU A 87 -3.008 -0.534 9.223 1.00 0.00 O ATOM 912 CB LEU A 87 -1.718 1.888 9.940 1.00 0.00 C ATOM 913 CG LEU A 87 -2.205 3.155 9.230 1.00 0.00 C ATOM 914 CD1 LEU A 87 -1.039 3.816 8.500 1.00 0.00 C ATOM 915 CD2 LEU A 87 -3.291 2.796 8.214 1.00 0.00 C ATOM 0 H LEU A 87 -1.473 0.021 11.778 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.584 2.071 11.028 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.871 2.122 10.585 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.370 1.159 9.208 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.612 3.842 9.972 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.389 4.717 7.996 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.263 4.080 9.218 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.631 3.124 7.764 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.633 3.701 7.712 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.885 2.104 7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.130 2.327 8.728 1.00 0.00 H new ATOM 927 N TYR A 88 -4.880 0.123 10.179 1.00 0.00 N ATOM 928 CA TYR A 88 -5.680 -0.919 9.477 1.00 0.00 C ATOM 929 C TYR A 88 -6.362 -0.321 8.271 1.00 0.00 C ATOM 930 O TYR A 88 -7.163 0.582 8.456 1.00 0.00 O ATOM 931 CB TYR A 88 -6.750 -1.288 10.504 1.00 0.00 C ATOM 932 CG TYR A 88 -7.192 -2.705 10.311 1.00 0.00 C ATOM 933 CD1 TYR A 88 -6.520 -3.697 10.994 1.00 0.00 C ATOM 934 CD2 TYR A 88 -8.272 -3.024 9.481 1.00 0.00 C ATOM 935 CE1 TYR A 88 -6.903 -5.020 10.871 1.00 0.00 C ATOM 936 CE2 TYR A 88 -8.671 -4.356 9.342 1.00 0.00 C ATOM 937 CZ TYR A 88 -7.983 -5.364 10.041 1.00 0.00 C ATOM 938 OH TYR A 88 -8.368 -6.682 9.915 1.00 0.00 O ATOM 0 H TYR A 88 -5.415 0.733 10.797 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.075 -1.760 9.138 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.356 -1.157 11.512 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.604 -0.617 10.406 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.687 -3.438 11.631 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.796 -2.243 8.949 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.372 -5.789 11.413 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.503 -4.610 8.702 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.132 -6.743 9.304 1.00 0.00 H new ATOM 948 N VAL A 89 -6.119 -0.806 7.046 1.00 0.00 N ATOM 949 CA VAL A 89 -6.869 -0.195 5.891 1.00 0.00 C ATOM 950 C VAL A 89 -7.528 -1.258 5.003 1.00 0.00 C ATOM 951 O VAL A 89 -6.903 -2.159 4.496 1.00 0.00 O ATOM 952 CB VAL A 89 -5.932 0.798 5.149 1.00 0.00 C ATOM 953 CG1 VAL A 89 -5.171 1.671 6.171 1.00 0.00 C ATOM 954 CG2 VAL A 89 -4.879 0.094 4.336 1.00 0.00 C ATOM 0 H VAL A 89 -5.468 -1.557 6.816 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.716 0.385 6.257 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.575 1.388 4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.517 2.364 5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.885 2.234 6.772 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.573 1.032 6.821 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.251 0.832 3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.264 -0.522 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.359 -0.538 3.589 1.00 0.00 H new ATOM 964 N MET A 90 -8.827 -1.168 4.869 1.00 0.00 N ATOM 965 CA MET A 90 -9.592 -2.186 4.092 1.00 0.00 C ATOM 966 C MET A 90 -10.076 -1.636 2.752 1.00 0.00 C ATOM 967 O MET A 90 -10.610 -0.545 2.671 1.00 0.00 O ATOM 968 CB MET A 90 -10.759 -2.535 5.012 1.00 0.00 C ATOM 969 CG MET A 90 -10.224 -3.308 6.226 1.00 0.00 C ATOM 970 SD MET A 90 -11.617 -3.975 7.173 1.00 0.00 S ATOM 971 CE MET A 90 -12.418 -2.395 7.539 1.00 0.00 C ATOM 0 H MET A 90 -9.396 -0.422 5.271 1.00 0.00 H new ATOM 0 HA MET A 90 -8.986 -3.053 3.830 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.266 -1.627 5.338 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.494 -3.136 4.477 1.00 0.00 H new ATOM 0 HG2 MET A 90 -9.572 -4.117 5.898 1.00 0.00 H new ATOM 0 HG3 MET A 90 -9.624 -2.650 6.855 1.00 0.00 H new ATOM 0 HE1 MET A 90 -13.163 -2.538 8.322 1.00 0.00 H new ATOM 0 HE2 MET A 90 -11.670 -1.677 7.876 1.00 0.00 H new ATOM 0 HE3 MET A 90 -12.904 -2.017 6.640 1.00 0.00 H new ATOM 981 N VAL A 91 -9.877 -2.396 1.699 1.00 0.00 N ATOM 982 CA VAL A 91 -10.308 -1.943 0.344 1.00 0.00 C ATOM 983 C VAL A 91 -11.142 -3.030 -0.350 1.00 0.00 C ATOM 984 O VAL A 91 -10.992 -4.211 -0.078 1.00 0.00 O ATOM 985 CB VAL A 91 -9.001 -1.672 -0.419 1.00 0.00 C ATOM 986 CG1 VAL A 91 -8.156 -2.961 -0.521 1.00 0.00 C ATOM 987 CG2 VAL A 91 -9.332 -1.146 -1.822 1.00 0.00 C ATOM 0 H VAL A 91 -9.432 -3.314 1.724 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.941 -1.056 0.387 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.421 -0.925 0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.235 -2.750 -1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.914 -3.317 0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.723 -3.726 -1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.407 -0.953 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.921 -1.889 -2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.904 -0.222 -1.739 1.00 0.00 H new ATOM 997 N ASN A 92 -12.010 -2.628 -1.244 1.00 0.00 N ATOM 998 CA ASN A 92 -12.864 -3.613 -1.977 1.00 0.00 C ATOM 999 C ASN A 92 -12.121 -4.121 -3.215 1.00 0.00 C ATOM 1000 O ASN A 92 -11.606 -3.342 -3.998 1.00 0.00 O ATOM 1001 CB ASN A 92 -14.113 -2.831 -2.384 1.00 0.00 C ATOM 1002 CG ASN A 92 -15.137 -2.862 -1.247 1.00 0.00 C ATOM 1003 OD1 ASN A 92 -16.272 -3.244 -1.447 1.00 0.00 O ATOM 1004 ND2 ASN A 92 -14.784 -2.470 -0.053 1.00 0.00 N ATOM 0 H ASN A 92 -12.165 -1.653 -1.499 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.113 -4.483 -1.370 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.848 -1.800 -2.619 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -14.545 -3.262 -3.287 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.461 -2.485 0.710 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.831 -2.149 0.117 1.00 0.00 H new ATOM 1011 N ALA A 93 -12.061 -5.421 -3.391 1.00 0.00 N ATOM 1012 CA ALA A 93 -11.347 -5.998 -4.572 1.00 0.00 C ATOM 1013 C ALA A 93 -12.315 -6.180 -5.744 1.00 0.00 C ATOM 1014 O ALA A 93 -13.419 -6.670 -5.577 1.00 0.00 O ATOM 1015 CB ALA A 93 -10.823 -7.352 -4.096 1.00 0.00 C ATOM 0 H ALA A 93 -12.478 -6.108 -2.764 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.544 -5.350 -4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -10.285 -7.840 -4.909 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.149 -7.205 -3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -11.660 -7.978 -3.787 1.00 0.00 H new ATOM 1320 N PRO A 115 -15.024 -10.921 -2.239 1.00 0.00 N ATOM 1321 CA PRO A 115 -15.559 -9.635 -2.755 1.00 0.00 C ATOM 1322 C PRO A 115 -14.742 -8.461 -2.207 1.00 0.00 C ATOM 1323 O PRO A 115 -14.302 -7.603 -2.952 1.00 0.00 O ATOM 1324 CB PRO A 115 -16.992 -9.596 -2.228 1.00 0.00 C ATOM 1325 CG PRO A 115 -16.985 -10.468 -1.015 1.00 0.00 C ATOM 1326 CD PRO A 115 -15.932 -11.522 -1.237 1.00 0.00 C ATOM 0 HA PRO A 115 -15.513 -9.559 -3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -17.293 -8.578 -1.980 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -17.696 -9.964 -2.974 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -16.764 -9.884 -0.121 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -17.963 -10.925 -0.863 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -15.405 -11.759 -0.313 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -16.369 -12.451 -1.602 1.00 0.00 H new ATOM 1334 N ILE A 116 -14.536 -8.426 -0.912 1.00 0.00 N ATOM 1335 CA ILE A 116 -13.745 -7.316 -0.293 1.00 0.00 C ATOM 1336 C ILE A 116 -12.562 -7.900 0.485 1.00 0.00 C ATOM 1337 O ILE A 116 -12.675 -8.946 1.100 1.00 0.00 O ATOM 1338 CB ILE A 116 -14.718 -6.599 0.655 1.00 0.00 C ATOM 1339 CG1 ILE A 116 -15.914 -6.066 -0.141 1.00 0.00 C ATOM 1340 CG2 ILE A 116 -14.009 -5.423 1.335 1.00 0.00 C ATOM 1341 CD1 ILE A 116 -16.962 -5.509 0.823 1.00 0.00 C ATOM 0 H ILE A 116 -14.884 -9.123 -0.254 1.00 0.00 H new ATOM 0 HA ILE A 116 -13.338 -6.631 -1.036 1.00 0.00 H new ATOM 0 HB ILE A 116 -15.062 -7.306 1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -15.588 -5.287 -0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -16.347 -6.864 -0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -14.704 -4.918 2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -13.157 -5.793 1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -13.661 -4.721 0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -17.813 -5.130 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -17.296 -6.300 1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -16.525 -4.699 1.407 1.00 0.00 H new ATOM 1353 N ALA A 117 -11.433 -7.229 0.457 1.00 0.00 N ATOM 1354 CA ALA A 117 -10.231 -7.733 1.192 1.00 0.00 C ATOM 1355 C ALA A 117 -9.790 -6.701 2.230 1.00 0.00 C ATOM 1356 O ALA A 117 -9.807 -5.504 1.966 1.00 0.00 O ATOM 1357 CB ALA A 117 -9.156 -7.923 0.114 1.00 0.00 C ATOM 0 H ALA A 117 -11.294 -6.352 -0.045 1.00 0.00 H new ATOM 0 HA ALA A 117 -10.425 -8.661 1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.240 -8.292 0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.506 -8.643 -0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -8.958 -6.969 -0.374 1.00 0.00 H new ATOM 1363 N GLU A 118 -9.386 -7.150 3.403 1.00 0.00 N ATOM 1364 CA GLU A 118 -8.932 -6.181 4.453 1.00 0.00 C ATOM 1365 C GLU A 118 -7.404 -6.172 4.542 1.00 0.00 C ATOM 1366 O GLU A 118 -6.790 -7.151 4.919 1.00 0.00 O ATOM 1367 CB GLU A 118 -9.543 -6.663 5.775 1.00 0.00 C ATOM 1368 CG GLU A 118 -11.072 -6.727 5.654 1.00 0.00 C ATOM 1369 CD GLU A 118 -11.492 -8.084 5.080 1.00 0.00 C ATOM 1370 OE1 GLU A 118 -10.805 -9.059 5.342 1.00 0.00 O ATOM 1371 OE2 GLU A 118 -12.493 -8.125 4.383 1.00 0.00 O ATOM 0 H GLU A 118 -9.352 -8.133 3.672 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.248 -5.164 4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.149 -7.647 6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.262 -5.987 6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.530 -6.578 6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.429 -5.923 5.010 1.00 0.00 H new ATOM 1378 N PHE A 119 -6.793 -5.065 4.218 1.00 0.00 N ATOM 1379 CA PHE A 119 -5.308 -4.968 4.307 1.00 0.00 C ATOM 1380 C PHE A 119 -4.991 -4.401 5.695 1.00 0.00 C ATOM 1381 O PHE A 119 -5.522 -3.383 6.093 1.00 0.00 O ATOM 1382 CB PHE A 119 -4.948 -4.054 3.105 1.00 0.00 C ATOM 1383 CG PHE A 119 -3.581 -3.396 3.202 1.00 0.00 C ATOM 1384 CD1 PHE A 119 -3.322 -2.442 4.183 1.00 0.00 C ATOM 1385 CD2 PHE A 119 -2.590 -3.701 2.257 1.00 0.00 C ATOM 1386 CE1 PHE A 119 -2.091 -1.790 4.234 1.00 0.00 C ATOM 1387 CE2 PHE A 119 -1.348 -3.052 2.312 1.00 0.00 C ATOM 1388 CZ PHE A 119 -1.104 -2.091 3.301 1.00 0.00 C ATOM 0 H PHE A 119 -7.261 -4.219 3.894 1.00 0.00 H new ATOM 0 HA PHE A 119 -4.733 -5.891 4.233 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -4.989 -4.645 2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.706 -3.276 3.016 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.083 -2.205 4.912 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -2.783 -4.435 1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -1.903 -1.051 4.998 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.580 -3.293 1.592 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.151 -1.584 3.339 1.00 0.00 H new ATOM 1398 N ARG A 120 -4.161 -5.079 6.458 1.00 0.00 N ATOM 1399 CA ARG A 120 -3.842 -4.576 7.828 1.00 0.00 C ATOM 1400 C ARG A 120 -2.332 -4.419 7.947 1.00 0.00 C ATOM 1401 O ARG A 120 -1.579 -5.365 7.807 1.00 0.00 O ATOM 1402 CB ARG A 120 -4.447 -5.664 8.759 1.00 0.00 C ATOM 1403 CG ARG A 120 -3.863 -5.618 10.185 1.00 0.00 C ATOM 1404 CD ARG A 120 -4.203 -6.920 10.914 1.00 0.00 C ATOM 1405 NE ARG A 120 -4.076 -6.594 12.361 1.00 0.00 N ATOM 1406 CZ ARG A 120 -3.807 -7.539 13.222 1.00 0.00 C ATOM 1407 NH1 ARG A 120 -2.566 -7.841 13.494 1.00 0.00 N ATOM 1408 NH2 ARG A 120 -4.778 -8.182 13.810 1.00 0.00 N ATOM 0 H ARG A 120 -3.698 -5.948 6.192 1.00 0.00 H new ATOM 0 HA ARG A 120 -4.250 -3.597 8.080 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -5.528 -5.533 8.809 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -4.264 -6.648 8.328 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.782 -5.483 10.143 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -4.270 -4.766 10.730 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -5.211 -7.257 10.672 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -3.522 -7.722 10.629 1.00 0.00 H new ATOM 0 HE ARG A 120 -4.199 -5.633 12.680 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -1.806 -7.339 13.034 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -2.356 -8.579 14.166 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -5.748 -7.947 13.598 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -4.568 -8.920 14.482 1.00 0.00 H new ATOM 1422 N PHE A 121 -1.890 -3.216 8.210 1.00 0.00 N ATOM 1423 CA PHE A 121 -0.441 -2.962 8.367 1.00 0.00 C ATOM 1424 C PHE A 121 -0.276 -2.280 9.703 1.00 0.00 C ATOM 1425 O PHE A 121 -0.752 -1.178 9.933 1.00 0.00 O ATOM 1426 CB PHE A 121 -0.015 -2.143 7.140 1.00 0.00 C ATOM 1427 CG PHE A 121 0.428 -3.117 6.043 1.00 0.00 C ATOM 1428 CD1 PHE A 121 -0.491 -4.006 5.457 1.00 0.00 C ATOM 1429 CD2 PHE A 121 1.765 -3.162 5.641 1.00 0.00 C ATOM 1430 CE1 PHE A 121 -0.080 -4.916 4.483 1.00 0.00 C ATOM 1431 CE2 PHE A 121 2.168 -4.076 4.650 1.00 0.00 C ATOM 1432 CZ PHE A 121 1.247 -4.949 4.077 1.00 0.00 C ATOM 0 H PHE A 121 -2.484 -2.395 8.322 1.00 0.00 H new ATOM 0 HA PHE A 121 0.201 -3.843 8.389 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -0.842 -1.526 6.789 1.00 0.00 H new ATOM 0 HB3 PHE A 121 0.799 -1.466 7.399 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -1.526 -3.984 5.764 1.00 0.00 H new ATOM 0 HD2 PHE A 121 2.488 -2.497 6.090 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -0.795 -5.596 4.044 1.00 0.00 H new ATOM 0 HE2 PHE A 121 3.200 -4.101 4.331 1.00 0.00 H new ATOM 0 HZ PHE A 121 1.564 -5.650 3.319 1.00 0.00 H new ATOM 1442 N VAL A 122 0.300 -2.997 10.628 1.00 0.00 N ATOM 1443 CA VAL A 122 0.370 -2.478 12.019 1.00 0.00 C ATOM 1444 C VAL A 122 1.821 -2.260 12.502 1.00 0.00 C ATOM 1445 O VAL A 122 2.588 -3.200 12.547 1.00 0.00 O ATOM 1446 CB VAL A 122 -0.361 -3.573 12.847 1.00 0.00 C ATOM 1447 CG1 VAL A 122 -0.549 -3.095 14.280 1.00 0.00 C ATOM 1448 CG2 VAL A 122 -1.758 -3.927 12.251 1.00 0.00 C ATOM 0 H VAL A 122 0.722 -3.914 10.481 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.086 -1.493 12.117 1.00 0.00 H new ATOM 0 HB VAL A 122 0.260 -4.468 12.817 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.062 -3.865 14.856 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.425 -2.895 14.727 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.145 -2.182 14.284 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.230 -4.696 12.863 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.385 -3.036 12.240 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.636 -4.297 11.233 1.00 0.00 H new ATOM 1458 N PRO A 123 2.172 -1.027 12.854 1.00 0.00 N ATOM 1459 CA PRO A 123 3.539 -0.743 13.323 1.00 0.00 C ATOM 1460 C PRO A 123 3.616 -0.823 14.850 1.00 0.00 C ATOM 1461 O PRO A 123 2.649 -0.557 15.541 1.00 0.00 O ATOM 1462 CB PRO A 123 3.771 0.688 12.851 1.00 0.00 C ATOM 1463 CG PRO A 123 2.405 1.306 12.729 1.00 0.00 C ATOM 1464 CD PRO A 123 1.375 0.205 12.843 1.00 0.00 C ATOM 0 HA PRO A 123 4.279 -1.450 12.947 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.387 1.239 13.561 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.294 0.704 11.895 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.254 2.050 13.511 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.305 1.822 11.774 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.783 0.305 13.752 1.00 0.00 H new ATOM 0 HD3 PRO A 123 0.678 0.222 12.005 1.00 0.00 H new ATOM 1472 N SER A 124 4.766 -1.174 15.373 1.00 0.00 N ATOM 1473 CA SER A 124 4.935 -1.264 16.856 1.00 0.00 C ATOM 1474 C SER A 124 5.794 -0.097 17.353 1.00 0.00 C ATOM 1475 O SER A 124 6.507 -0.215 18.334 1.00 0.00 O ATOM 1476 CB SER A 124 5.647 -2.595 17.094 1.00 0.00 C ATOM 1477 OG SER A 124 5.777 -2.814 18.491 1.00 0.00 O ATOM 0 H SER A 124 5.600 -1.403 14.832 1.00 0.00 H new ATOM 0 HA SER A 124 3.985 -1.213 17.388 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.084 -3.409 16.638 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.630 -2.584 16.623 1.00 0.00 H new ATOM 0 HG SER A 124 6.197 -2.032 18.907 1.00 0.00 H new ATOM 1483 N ASP A 125 5.731 1.026 16.673 1.00 0.00 N ATOM 1484 CA ASP A 125 6.542 2.215 17.083 1.00 0.00 C ATOM 1485 C ASP A 125 5.721 3.494 16.968 1.00 0.00 C ATOM 1486 O ASP A 125 5.144 3.779 15.938 1.00 0.00 O ATOM 1487 CB ASP A 125 7.723 2.241 16.110 1.00 0.00 C ATOM 1488 CG ASP A 125 8.994 2.667 16.849 1.00 0.00 C ATOM 1489 OD1 ASP A 125 9.136 2.299 18.005 1.00 0.00 O ATOM 1490 OD2 ASP A 125 9.803 3.354 16.247 1.00 0.00 O ATOM 0 H ASP A 125 5.149 1.168 15.848 1.00 0.00 H new ATOM 0 HA ASP A 125 6.868 2.150 18.121 1.00 0.00 H new ATOM 0 HB2 ASP A 125 7.862 1.255 15.666 1.00 0.00 H new ATOM 0 HB3 ASP A 125 7.518 2.932 15.293 1.00 0.00 H new ATOM 1495 N LYS A 126 5.682 4.285 18.024 1.00 0.00 N ATOM 1496 CA LYS A 126 4.918 5.578 17.982 1.00 0.00 C ATOM 1497 C LYS A 126 5.509 6.465 16.885 1.00 0.00 C ATOM 1498 O LYS A 126 4.803 7.170 16.184 1.00 0.00 O ATOM 1499 CB LYS A 126 5.110 6.220 19.358 1.00 0.00 C ATOM 1500 CG LYS A 126 4.272 7.498 19.445 1.00 0.00 C ATOM 1501 CD LYS A 126 4.352 8.068 20.862 1.00 0.00 C ATOM 1502 CE LYS A 126 5.742 8.661 21.099 1.00 0.00 C ATOM 1503 NZ LYS A 126 6.059 8.337 22.518 1.00 0.00 N ATOM 0 H LYS A 126 6.147 4.089 18.911 1.00 0.00 H new ATOM 0 HA LYS A 126 3.860 5.434 17.764 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.812 5.523 20.141 1.00 0.00 H new ATOM 0 HB3 LYS A 126 6.163 6.451 19.520 1.00 0.00 H new ATOM 0 HG2 LYS A 126 4.635 8.232 18.726 1.00 0.00 H new ATOM 0 HG3 LYS A 126 3.235 7.283 19.186 1.00 0.00 H new ATOM 0 HD2 LYS A 126 3.590 8.835 21.000 1.00 0.00 H new ATOM 0 HD3 LYS A 126 4.151 7.284 21.592 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.477 8.228 20.421 1.00 0.00 H new ATOM 0 HE3 LYS A 126 5.747 9.738 20.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 6.999 8.711 22.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 5.346 8.768 23.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 6.054 7.305 22.648 1.00 0.00 H new ATOM 1517 N SER A 127 6.808 6.390 16.722 1.00 0.00 N ATOM 1518 CA SER A 127 7.486 7.180 15.656 1.00 0.00 C ATOM 1519 C SER A 127 7.104 6.613 14.286 1.00 0.00 C ATOM 1520 O SER A 127 7.110 7.326 13.296 1.00 0.00 O ATOM 1521 CB SER A 127 8.987 7.019 15.908 1.00 0.00 C ATOM 1522 OG SER A 127 9.703 7.856 15.008 1.00 0.00 O ATOM 0 H SER A 127 7.428 5.810 17.287 1.00 0.00 H new ATOM 0 HA SER A 127 7.197 8.231 15.671 1.00 0.00 H new ATOM 0 HB2 SER A 127 9.226 7.284 16.938 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.282 5.979 15.770 1.00 0.00 H new ATOM 0 HG SER A 127 10.665 7.758 15.166 1.00 0.00 H new ATOM 1528 N ALA A 128 6.765 5.334 14.218 1.00 0.00 N ATOM 1529 CA ALA A 128 6.372 4.735 12.903 1.00 0.00 C ATOM 1530 C ALA A 128 4.969 5.210 12.517 1.00 0.00 C ATOM 1531 O ALA A 128 4.699 5.499 11.363 1.00 0.00 O ATOM 1532 CB ALA A 128 6.388 3.222 13.113 1.00 0.00 C ATOM 0 H ALA A 128 6.746 4.693 15.011 1.00 0.00 H new ATOM 0 HA ALA A 128 7.048 5.029 12.101 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.108 2.723 12.185 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.389 2.906 13.408 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.678 2.956 13.896 1.00 0.00 H new ATOM 1538 N LEU A 129 4.079 5.292 13.481 1.00 0.00 N ATOM 1539 CA LEU A 129 2.681 5.748 13.187 1.00 0.00 C ATOM 1540 C LEU A 129 2.667 7.232 12.813 1.00 0.00 C ATOM 1541 O LEU A 129 2.032 7.623 11.848 1.00 0.00 O ATOM 1542 CB LEU A 129 1.892 5.520 14.476 1.00 0.00 C ATOM 1543 CG LEU A 129 0.417 5.850 14.236 1.00 0.00 C ATOM 1544 CD1 LEU A 129 -0.278 4.645 13.601 1.00 0.00 C ATOM 1545 CD2 LEU A 129 -0.253 6.181 15.571 1.00 0.00 C ATOM 0 H LEU A 129 4.261 5.063 14.458 1.00 0.00 H new ATOM 0 HA LEU A 129 2.251 5.202 12.347 1.00 0.00 H new ATOM 0 HB2 LEU A 129 1.996 4.485 14.800 1.00 0.00 H new ATOM 0 HB3 LEU A 129 2.291 6.146 15.275 1.00 0.00 H new ATOM 0 HG LEU A 129 0.339 6.707 13.567 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -1.329 4.879 13.430 1.00 0.00 H new ATOM 0 HD12 LEU A 129 0.200 4.408 12.651 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -0.202 3.787 14.269 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.304 6.416 15.402 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -0.176 5.323 16.239 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.243 7.039 16.024 1.00 0.00 H new ATOM 1557 N GLU A 130 3.360 8.060 13.570 1.00 0.00 N ATOM 1558 CA GLU A 130 3.384 9.522 13.257 1.00 0.00 C ATOM 1559 C GLU A 130 4.138 9.766 11.945 1.00 0.00 C ATOM 1560 O GLU A 130 3.805 10.670 11.194 1.00 0.00 O ATOM 1561 CB GLU A 130 4.074 10.199 14.449 1.00 0.00 C ATOM 1562 CG GLU A 130 5.505 9.677 14.619 1.00 0.00 C ATOM 1563 CD GLU A 130 6.507 10.627 13.945 1.00 0.00 C ATOM 1564 OE1 GLU A 130 6.117 11.328 13.023 1.00 0.00 O ATOM 1565 OE2 GLU A 130 7.652 10.636 14.366 1.00 0.00 O ATOM 0 H GLU A 130 3.906 7.783 14.386 1.00 0.00 H new ATOM 0 HA GLU A 130 2.383 9.930 13.116 1.00 0.00 H new ATOM 0 HB2 GLU A 130 4.091 11.279 14.300 1.00 0.00 H new ATOM 0 HB3 GLU A 130 3.504 10.012 15.359 1.00 0.00 H new ATOM 0 HG2 GLU A 130 5.741 9.583 15.679 1.00 0.00 H new ATOM 0 HG3 GLU A 130 5.589 8.681 14.184 1.00 0.00 H new ATOM 1572 N ALA A 131 5.136 8.957 11.655 1.00 0.00 N ATOM 1573 CA ALA A 131 5.902 9.127 10.379 1.00 0.00 C ATOM 1574 C ALA A 131 5.011 8.732 9.200 1.00 0.00 C ATOM 1575 O ALA A 131 5.042 9.352 8.151 1.00 0.00 O ATOM 1576 CB ALA A 131 7.103 8.182 10.486 1.00 0.00 C ATOM 0 H ALA A 131 5.450 8.189 12.248 1.00 0.00 H new ATOM 0 HA ALA A 131 6.225 10.156 10.222 1.00 0.00 H new ATOM 0 HB1 ALA A 131 7.707 8.257 9.582 1.00 0.00 H new ATOM 0 HB2 ALA A 131 7.707 8.458 11.350 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.750 7.157 10.602 1.00 0.00 H new ATOM 1582 N MET A 132 4.207 7.709 9.379 1.00 0.00 N ATOM 1583 CA MET A 132 3.289 7.262 8.284 1.00 0.00 C ATOM 1584 C MET A 132 2.190 8.304 8.078 1.00 0.00 C ATOM 1585 O MET A 132 1.762 8.557 6.968 1.00 0.00 O ATOM 1586 CB MET A 132 2.691 5.935 8.764 1.00 0.00 C ATOM 1587 CG MET A 132 2.097 5.181 7.571 1.00 0.00 C ATOM 1588 SD MET A 132 3.358 4.107 6.843 1.00 0.00 S ATOM 1589 CE MET A 132 2.898 2.591 7.720 1.00 0.00 C ATOM 0 H MET A 132 4.148 7.164 10.239 1.00 0.00 H new ATOM 0 HA MET A 132 3.808 7.142 7.333 1.00 0.00 H new ATOM 0 HB2 MET A 132 3.460 5.330 9.244 1.00 0.00 H new ATOM 0 HB3 MET A 132 1.919 6.121 9.511 1.00 0.00 H new ATOM 0 HG2 MET A 132 1.241 4.588 7.893 1.00 0.00 H new ATOM 0 HG3 MET A 132 1.733 5.888 6.826 1.00 0.00 H new ATOM 0 HE1 MET A 132 3.785 1.978 7.877 1.00 0.00 H new ATOM 0 HE2 MET A 132 2.459 2.847 8.684 1.00 0.00 H new ATOM 0 HE3 MET A 132 2.172 2.034 7.127 1.00 0.00 H new ATOM 1599 N PHE A 133 1.736 8.911 9.151 1.00 0.00 N ATOM 1600 CA PHE A 133 0.662 9.950 9.043 1.00 0.00 C ATOM 1601 C PHE A 133 1.206 11.179 8.348 1.00 0.00 C ATOM 1602 O PHE A 133 0.532 11.774 7.527 1.00 0.00 O ATOM 1603 CB PHE A 133 0.223 10.235 10.496 1.00 0.00 C ATOM 1604 CG PHE A 133 -0.517 9.032 11.131 1.00 0.00 C ATOM 1605 CD1 PHE A 133 -0.724 7.812 10.433 1.00 0.00 C ATOM 1606 CD2 PHE A 133 -0.996 9.155 12.442 1.00 0.00 C ATOM 1607 CE1 PHE A 133 -1.396 6.751 11.049 1.00 0.00 C ATOM 1608 CE2 PHE A 133 -1.670 8.088 13.053 1.00 0.00 C ATOM 1609 CZ PHE A 133 -1.870 6.889 12.357 1.00 0.00 C ATOM 0 H PHE A 133 2.065 8.730 10.099 1.00 0.00 H new ATOM 0 HA PHE A 133 -0.190 9.624 8.447 1.00 0.00 H new ATOM 0 HB2 PHE A 133 1.099 10.479 11.097 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -0.428 11.109 10.512 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -0.361 7.703 9.422 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -0.845 10.076 12.985 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.549 5.825 10.514 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -2.036 8.191 14.064 1.00 0.00 H new ATOM 0 HZ PHE A 133 -2.391 6.070 12.831 1.00 0.00 H new ATOM 1619 N THR A 134 2.437 11.528 8.630 1.00 0.00 N ATOM 1620 CA THR A 134 3.058 12.683 7.935 1.00 0.00 C ATOM 1621 C THR A 134 3.255 12.289 6.470 1.00 0.00 C ATOM 1622 O THR A 134 3.116 13.103 5.574 1.00 0.00 O ATOM 1623 CB THR A 134 4.403 12.923 8.633 1.00 0.00 C ATOM 1624 OG1 THR A 134 4.981 11.683 9.028 1.00 0.00 O ATOM 1625 CG2 THR A 134 4.193 13.804 9.865 1.00 0.00 C ATOM 0 H THR A 134 3.033 11.059 9.312 1.00 0.00 H new ATOM 0 HA THR A 134 2.453 13.589 7.970 1.00 0.00 H new ATOM 0 HB THR A 134 5.077 13.423 7.937 1.00 0.00 H new ATOM 0 HG1 THR A 134 5.031 11.084 8.254 1.00 0.00 H new ATOM 0 HG21 THR A 134 5.150 13.973 10.359 1.00 0.00 H new ATOM 0 HG22 THR A 134 3.768 14.760 9.560 1.00 0.00 H new ATOM 0 HG23 THR A 134 3.511 13.308 10.555 1.00 0.00 H new ATOM 1633 N ALA A 135 3.555 11.027 6.227 1.00 0.00 N ATOM 1634 CA ALA A 135 3.734 10.550 4.818 1.00 0.00 C ATOM 1635 C ALA A 135 2.384 10.559 4.094 1.00 0.00 C ATOM 1636 O ALA A 135 2.269 11.039 2.981 1.00 0.00 O ATOM 1637 CB ALA A 135 4.272 9.123 4.932 1.00 0.00 C ATOM 0 H ALA A 135 3.682 10.313 6.944 1.00 0.00 H new ATOM 0 HA ALA A 135 4.413 11.187 4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 135 4.426 8.712 3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 135 5.219 9.133 5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.554 8.506 5.472 1.00 0.00 H new ATOM 1643 N MET A 136 1.365 10.031 4.734 1.00 0.00 N ATOM 1644 CA MET A 136 0.005 10.003 4.109 1.00 0.00 C ATOM 1645 C MET A 136 -0.577 11.414 4.068 1.00 0.00 C ATOM 1646 O MET A 136 -1.084 11.855 3.053 1.00 0.00 O ATOM 1647 CB MET A 136 -0.851 9.106 5.008 1.00 0.00 C ATOM 1648 CG MET A 136 -0.570 7.635 4.689 1.00 0.00 C ATOM 1649 SD MET A 136 -1.932 6.616 5.304 1.00 0.00 S ATOM 1650 CE MET A 136 -1.204 5.004 4.917 1.00 0.00 C ATOM 0 H MET A 136 1.419 9.618 5.665 1.00 0.00 H new ATOM 0 HA MET A 136 0.038 9.629 3.086 1.00 0.00 H new ATOM 0 HB2 MET A 136 -0.631 9.309 6.056 1.00 0.00 H new ATOM 0 HB3 MET A 136 -1.908 9.325 4.856 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.457 7.500 3.613 1.00 0.00 H new ATOM 0 HG3 MET A 136 0.368 7.324 5.149 1.00 0.00 H new ATOM 0 HE1 MET A 136 -1.890 4.213 5.219 1.00 0.00 H new ATOM 0 HE2 MET A 136 -1.021 4.935 3.845 1.00 0.00 H new ATOM 0 HE3 MET A 136 -0.262 4.892 5.454 1.00 0.00 H new ATOM 1660 N CYS A 137 -0.502 12.118 5.174 1.00 0.00 N ATOM 1661 CA CYS A 137 -1.051 13.515 5.221 1.00 0.00 C ATOM 1662 C CYS A 137 -0.337 14.399 4.193 1.00 0.00 C ATOM 1663 O CYS A 137 -0.966 15.157 3.473 1.00 0.00 O ATOM 1664 CB CYS A 137 -0.775 14.019 6.641 1.00 0.00 C ATOM 1665 SG CYS A 137 -1.652 15.580 6.907 1.00 0.00 S ATOM 0 H CYS A 137 -0.086 11.788 6.045 1.00 0.00 H new ATOM 0 HA CYS A 137 -2.115 13.541 4.985 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -1.100 13.278 7.371 1.00 0.00 H new ATOM 0 HB3 CYS A 137 0.296 14.162 6.786 1.00 0.00 H new ATOM 0 HG CYS A 137 -1.420 16.008 8.112 1.00 0.00 H new ATOM 1671 N GLU A 138 0.972 14.300 4.121 1.00 0.00 N ATOM 1672 CA GLU A 138 1.743 15.129 3.138 1.00 0.00 C ATOM 1673 C GLU A 138 1.444 14.670 1.716 1.00 0.00 C ATOM 1674 O GLU A 138 1.371 15.462 0.794 1.00 0.00 O ATOM 1675 CB GLU A 138 3.219 14.910 3.478 1.00 0.00 C ATOM 1676 CG GLU A 138 4.087 15.804 2.588 1.00 0.00 C ATOM 1677 CD GLU A 138 5.564 15.498 2.844 1.00 0.00 C ATOM 1678 OE1 GLU A 138 6.021 15.758 3.944 1.00 0.00 O ATOM 1679 OE2 GLU A 138 6.213 15.009 1.934 1.00 0.00 O ATOM 0 H GLU A 138 1.539 13.681 4.701 1.00 0.00 H new ATOM 0 HA GLU A 138 1.474 16.184 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 138 3.399 15.140 4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 138 3.486 13.863 3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 138 3.846 15.634 1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.880 16.854 2.797 1.00 0.00 H new ATOM 1686 N CYS A 139 1.263 13.392 1.551 1.00 0.00 N ATOM 1687 CA CYS A 139 0.956 12.829 0.198 1.00 0.00 C ATOM 1688 C CYS A 139 -0.463 13.226 -0.218 1.00 0.00 C ATOM 1689 O CYS A 139 -0.712 13.573 -1.359 1.00 0.00 O ATOM 1690 CB CYS A 139 1.067 11.311 0.349 1.00 0.00 C ATOM 1691 SG CYS A 139 2.788 10.805 0.110 1.00 0.00 S ATOM 0 H CYS A 139 1.314 12.702 2.300 1.00 0.00 H new ATOM 0 HA CYS A 139 1.636 13.203 -0.567 1.00 0.00 H new ATOM 0 HB2 CYS A 139 0.721 11.007 1.337 1.00 0.00 H new ATOM 0 HB3 CYS A 139 0.426 10.815 -0.380 1.00 0.00 H new ATOM 0 HG CYS A 139 3.372 10.694 1.266 1.00 0.00 H new ATOM 1697 N GLN A 140 -1.387 13.177 0.712 1.00 0.00 N ATOM 1698 CA GLN A 140 -2.804 13.553 0.396 1.00 0.00 C ATOM 1699 C GLN A 140 -2.887 15.037 0.047 1.00 0.00 C ATOM 1700 O GLN A 140 -3.599 15.427 -0.863 1.00 0.00 O ATOM 1701 CB GLN A 140 -3.603 13.263 1.671 1.00 0.00 C ATOM 1702 CG GLN A 140 -4.232 11.876 1.575 1.00 0.00 C ATOM 1703 CD GLN A 140 -5.090 11.615 2.801 1.00 0.00 C ATOM 1704 OE1 GLN A 140 -6.053 12.313 3.052 1.00 0.00 O ATOM 1705 NE2 GLN A 140 -4.772 10.627 3.580 1.00 0.00 N ATOM 0 H GLN A 140 -1.222 12.893 1.678 1.00 0.00 H new ATOM 0 HA GLN A 140 -3.191 12.996 -0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -2.950 13.318 2.542 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -4.379 14.017 1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -4.839 11.803 0.673 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -3.453 11.118 1.497 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -3.962 10.046 3.362 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -5.332 10.431 4.410 1.00 0.00 H new ATOM 1714 N ALA A 141 -2.163 15.861 0.767 1.00 0.00 N ATOM 1715 CA ALA A 141 -2.191 17.334 0.488 1.00 0.00 C ATOM 1716 C ALA A 141 -1.452 17.637 -0.819 1.00 0.00 C ATOM 1717 O ALA A 141 -1.838 18.520 -1.565 1.00 0.00 O ATOM 1718 CB ALA A 141 -1.478 17.991 1.674 1.00 0.00 C ATOM 0 H ALA A 141 -1.554 15.578 1.535 1.00 0.00 H new ATOM 0 HA ALA A 141 -3.208 17.708 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -1.462 19.072 1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -2.008 17.751 2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -0.456 17.618 1.736 1.00 0.00 H new ATOM 1724 N LEU A 142 -0.395 16.909 -1.094 1.00 0.00 N ATOM 1725 CA LEU A 142 0.385 17.143 -2.354 1.00 0.00 C ATOM 1726 C LEU A 142 -0.442 16.741 -3.577 1.00 0.00 C ATOM 1727 O LEU A 142 -0.407 17.402 -4.601 1.00 0.00 O ATOM 1728 CB LEU A 142 1.628 16.263 -2.241 1.00 0.00 C ATOM 1729 CG LEU A 142 2.730 16.823 -3.157 1.00 0.00 C ATOM 1730 CD1 LEU A 142 4.083 16.694 -2.464 1.00 0.00 C ATOM 1731 CD2 LEU A 142 2.750 16.042 -4.473 1.00 0.00 C ATOM 0 H LEU A 142 -0.038 16.161 -0.499 1.00 0.00 H new ATOM 0 HA LEU A 142 0.645 18.194 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.976 16.236 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 142 1.389 15.238 -2.524 1.00 0.00 H new ATOM 0 HG LEU A 142 2.529 17.874 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 142 4.864 17.091 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 142 4.068 17.255 -1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 142 4.285 15.644 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.531 16.440 -5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 142 2.949 14.990 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.784 16.139 -4.968 1.00 0.00 H new