USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 653 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 38 SER OG : rot -55:sc= 0.321! USER MOD Set 1.2: A 69 GLN : amide:sc= -0.123 K(o=0.2,f=-1.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -154:sc= -1.66 (180deg=-2.79!) USER MOD Single : A 26 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.29) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -160:sc= -2.32! USER MOD Single : A 51 ASN : amide:sc= -4.89! K(o=-4.9!,f=-2.4) USER MOD Single : A 52 MET CE :methyl -150:sc= -1.82! (180deg=-4.68!) USER MOD Single : A 53 MET CE :methyl 169:sc= -4.37! (180deg=-4.61!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 104:sc= -0.631 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.575 K(o=-0.58,f=-0.032) USER MOD Single : A 71 MET CE :methyl -154:sc= -0.813 (180deg=-2.77!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.706 K(o=0.71,f=-5.7!) USER MOD Single : A 76 THR OG1 : rot 86:sc= 1.24 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 54:sc= -0.965 USER MOD Single : A 87 GLN : amide:sc= -1.98 K(o=-2,f=-0.52) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -1.91 X(o=-1.9,f=-1.8) USER MOD Single : A 96 GLN : amide:sc= -2.98 K(o=-3,f=-2) USER MOD Single : A 97 SER OG : rot -52:sc= 1.27 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 16 N PHE A 18 -1.337 -4.932 -10.646 1.00 0.00 N ATOM 17 CA PHE A 18 -0.095 -4.208 -10.409 1.00 0.00 C ATOM 18 C PHE A 18 -0.240 -2.749 -10.823 1.00 0.00 C ATOM 19 O PHE A 18 -0.834 -2.447 -11.858 1.00 0.00 O ATOM 20 CB PHE A 18 1.046 -4.863 -11.190 1.00 0.00 C ATOM 21 CG PHE A 18 2.256 -5.165 -10.355 1.00 0.00 C ATOM 22 CD1 PHE A 18 2.357 -6.362 -9.663 1.00 0.00 C ATOM 23 CD2 PHE A 18 3.294 -4.252 -10.264 1.00 0.00 C ATOM 24 CE1 PHE A 18 3.472 -6.642 -8.897 1.00 0.00 C ATOM 25 CE2 PHE A 18 4.412 -4.527 -9.498 1.00 0.00 C ATOM 26 CZ PHE A 18 4.501 -5.723 -8.814 1.00 0.00 C ATOM 0 HA PHE A 18 0.133 -4.245 -9.344 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.684 -5.789 -11.636 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.337 -4.206 -12.010 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.555 -7.083 -9.723 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.229 -3.315 -10.797 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.540 -7.578 -8.363 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.215 -3.807 -9.435 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.373 -5.940 -8.215 1.00 0.00 H new ATOM 36 N LYS A 19 0.296 -1.843 -10.011 1.00 0.00 N ATOM 37 CA LYS A 19 0.204 -0.419 -10.314 1.00 0.00 C ATOM 38 C LYS A 19 1.440 0.345 -9.862 1.00 0.00 C ATOM 39 O LYS A 19 2.077 -0.002 -8.869 1.00 0.00 O ATOM 40 CB LYS A 19 -1.022 0.192 -9.639 1.00 0.00 C ATOM 41 CG LYS A 19 -1.169 -0.221 -8.198 1.00 0.00 C ATOM 42 CD LYS A 19 -2.391 -1.103 -7.992 1.00 0.00 C ATOM 43 CE LYS A 19 -3.554 -0.317 -7.409 1.00 0.00 C ATOM 44 NZ LYS A 19 -4.586 -1.210 -6.812 1.00 0.00 N ATOM 0 H LYS A 19 0.793 -2.065 -9.148 1.00 0.00 H new ATOM 0 HA LYS A 19 0.121 -0.334 -11.398 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.957 1.279 -9.695 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.916 -0.102 -10.188 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.275 -0.756 -7.879 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.250 0.667 -7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.688 -1.542 -8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.138 -1.928 -7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.183 0.369 -6.647 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.009 0.291 -8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.362 -0.635 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.959 -1.847 -7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.159 -1.772 -6.049 1.00 0.00 H new ATOM 58 N ASP A 20 1.732 1.417 -10.584 1.00 0.00 N ATOM 59 CA ASP A 20 2.850 2.297 -10.268 1.00 0.00 C ATOM 60 C ASP A 20 2.311 3.484 -9.490 1.00 0.00 C ATOM 61 O ASP A 20 2.190 4.590 -10.019 1.00 0.00 O ATOM 62 CB ASP A 20 3.546 2.768 -11.548 1.00 0.00 C ATOM 63 CG ASP A 20 4.795 1.966 -11.855 1.00 0.00 C ATOM 64 OD1 ASP A 20 5.703 1.930 -10.997 1.00 0.00 O ATOM 65 OD2 ASP A 20 4.866 1.374 -12.953 1.00 0.00 O ATOM 0 H ASP A 20 1.201 1.702 -11.406 1.00 0.00 H new ATOM 0 HA ASP A 20 3.588 1.760 -9.671 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.852 2.690 -12.385 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.809 3.821 -11.449 1.00 0.00 H new ATOM 70 N VAL A 21 1.957 3.233 -8.237 1.00 0.00 N ATOM 71 CA VAL A 21 1.391 4.260 -7.386 1.00 0.00 C ATOM 72 C VAL A 21 2.343 5.431 -7.227 1.00 0.00 C ATOM 73 O VAL A 21 3.496 5.267 -6.828 1.00 0.00 O ATOM 74 CB VAL A 21 1.021 3.699 -5.999 1.00 0.00 C ATOM 75 CG1 VAL A 21 0.526 4.806 -5.072 1.00 0.00 C ATOM 76 CG2 VAL A 21 -0.028 2.608 -6.137 1.00 0.00 C ATOM 0 H VAL A 21 2.054 2.321 -7.790 1.00 0.00 H new ATOM 0 HA VAL A 21 0.482 4.612 -7.874 1.00 0.00 H new ATOM 0 HB VAL A 21 1.918 3.269 -5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.272 4.381 -4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.309 5.554 -4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.358 5.275 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.281 2.220 -5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.922 3.020 -6.605 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.366 1.801 -6.755 1.00 0.00 H new ATOM 86 N PHE A 22 1.842 6.618 -7.532 1.00 0.00 N ATOM 87 CA PHE A 22 2.632 7.825 -7.412 1.00 0.00 C ATOM 88 C PHE A 22 2.030 8.735 -6.352 1.00 0.00 C ATOM 89 O PHE A 22 1.016 9.391 -6.588 1.00 0.00 O ATOM 90 CB PHE A 22 2.693 8.557 -8.756 1.00 0.00 C ATOM 91 CG PHE A 22 4.010 9.231 -9.043 1.00 0.00 C ATOM 92 CD1 PHE A 22 5.055 9.195 -8.126 1.00 0.00 C ATOM 93 CD2 PHE A 22 4.203 9.901 -10.240 1.00 0.00 C ATOM 94 CE1 PHE A 22 6.256 9.810 -8.401 1.00 0.00 C ATOM 95 CE2 PHE A 22 5.407 10.520 -10.517 1.00 0.00 C ATOM 96 CZ PHE A 22 6.432 10.471 -9.596 1.00 0.00 C ATOM 0 H PHE A 22 0.889 6.767 -7.865 1.00 0.00 H new ATOM 0 HA PHE A 22 3.645 7.553 -7.116 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.483 7.844 -9.553 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.902 9.307 -8.783 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.923 8.678 -7.187 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.403 9.940 -10.965 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.059 9.774 -7.680 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.545 11.041 -11.453 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.375 10.952 -9.812 1.00 0.00 H new ATOM 106 N ILE A 23 2.653 8.769 -5.184 1.00 0.00 N ATOM 107 CA ILE A 23 2.164 9.599 -4.094 1.00 0.00 C ATOM 108 C ILE A 23 2.948 10.898 -4.016 1.00 0.00 C ATOM 109 O ILE A 23 4.081 10.927 -3.536 1.00 0.00 O ATOM 110 CB ILE A 23 2.261 8.868 -2.743 1.00 0.00 C ATOM 111 CG1 ILE A 23 1.729 7.436 -2.875 1.00 0.00 C ATOM 112 CG2 ILE A 23 1.511 9.634 -1.664 1.00 0.00 C ATOM 113 CD1 ILE A 23 0.219 7.340 -2.961 1.00 0.00 C ATOM 0 H ILE A 23 3.494 8.234 -4.967 1.00 0.00 H new ATOM 0 HA ILE A 23 1.116 9.817 -4.300 1.00 0.00 H new ATOM 0 HB ILE A 23 3.309 8.816 -2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.162 6.980 -3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.071 6.853 -2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.592 9.101 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.942 10.629 -1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.461 9.721 -1.943 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.074 6.294 -3.052 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.224 7.764 -2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.132 7.893 -3.833 1.00 0.00 H new ATOM 125 N GLU A 24 2.331 11.972 -4.492 1.00 0.00 N ATOM 126 CA GLU A 24 2.955 13.288 -4.483 1.00 0.00 C ATOM 127 C GLU A 24 2.529 14.070 -3.247 1.00 0.00 C ATOM 128 O GLU A 24 1.341 14.301 -3.030 1.00 0.00 O ATOM 129 CB GLU A 24 2.569 14.060 -5.746 1.00 0.00 C ATOM 130 CG GLU A 24 3.651 15.005 -6.242 1.00 0.00 C ATOM 131 CD GLU A 24 3.286 16.465 -6.049 1.00 0.00 C ATOM 132 OE1 GLU A 24 2.713 16.798 -4.989 1.00 0.00 O ATOM 133 OE2 GLU A 24 3.570 17.273 -6.957 1.00 0.00 O ATOM 0 H GLU A 24 1.393 11.956 -4.892 1.00 0.00 H new ATOM 0 HA GLU A 24 4.037 13.159 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.331 13.349 -6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.663 14.632 -5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.581 14.794 -5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.835 14.817 -7.300 1.00 0.00 H new ATOM 140 N LYS A 25 3.500 14.470 -2.435 1.00 0.00 N ATOM 141 CA LYS A 25 3.209 15.223 -1.220 1.00 0.00 C ATOM 142 C LYS A 25 4.215 16.350 -1.020 1.00 0.00 C ATOM 143 O LYS A 25 5.035 16.627 -1.895 1.00 0.00 O ATOM 144 CB LYS A 25 3.207 14.292 -0.003 1.00 0.00 C ATOM 145 CG LYS A 25 4.546 13.617 0.262 1.00 0.00 C ATOM 146 CD LYS A 25 4.362 12.195 0.770 1.00 0.00 C ATOM 147 CE LYS A 25 5.177 11.202 -0.043 1.00 0.00 C ATOM 148 NZ LYS A 25 5.782 10.146 0.816 1.00 0.00 N ATOM 0 H LYS A 25 4.491 14.287 -2.594 1.00 0.00 H new ATOM 0 HA LYS A 25 2.219 15.666 -1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.919 14.864 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.447 13.524 -0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.136 13.604 -0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.108 14.196 0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.660 12.140 1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.307 11.925 0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.539 10.737 -0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.966 11.731 -0.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.638 9.774 0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.032 10.552 1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.098 9.374 0.950 1.00 0.00 H new ATOM 162 N GLN A 26 4.147 16.996 0.137 1.00 0.00 N ATOM 163 CA GLN A 26 5.052 18.092 0.453 1.00 0.00 C ATOM 164 C GLN A 26 6.162 17.620 1.383 1.00 0.00 C ATOM 165 O GLN A 26 5.917 16.862 2.321 1.00 0.00 O ATOM 166 CB GLN A 26 4.286 19.247 1.102 1.00 0.00 C ATOM 167 CG GLN A 26 3.579 20.146 0.100 1.00 0.00 C ATOM 168 CD GLN A 26 2.424 19.450 -0.595 1.00 0.00 C ATOM 169 OE1 GLN A 26 2.559 18.974 -1.722 1.00 0.00 O ATOM 170 NE2 GLN A 26 1.281 19.385 0.078 1.00 0.00 N ATOM 0 H GLN A 26 3.474 16.779 0.872 1.00 0.00 H new ATOM 0 HA GLN A 26 5.499 18.442 -0.477 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.550 18.840 1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.980 19.847 1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.208 21.034 0.612 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.296 20.486 -0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.214 19.793 1.010 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.470 18.927 -0.337 1.00 0.00 H new ATOM 179 N LYS A 27 7.384 18.071 1.118 1.00 0.00 N ATOM 180 CA LYS A 27 8.532 17.692 1.934 1.00 0.00 C ATOM 181 C LYS A 27 8.225 17.860 3.417 1.00 0.00 C ATOM 182 O LYS A 27 7.772 18.917 3.856 1.00 0.00 O ATOM 183 CB LYS A 27 9.753 18.522 1.546 1.00 0.00 C ATOM 184 CG LYS A 27 10.417 18.040 0.269 1.00 0.00 C ATOM 185 CD LYS A 27 11.894 17.760 0.478 1.00 0.00 C ATOM 186 CE LYS A 27 12.527 17.145 -0.759 1.00 0.00 C ATOM 187 NZ LYS A 27 13.857 17.742 -1.059 1.00 0.00 N ATOM 0 H LYS A 27 7.605 18.699 0.345 1.00 0.00 H new ATOM 0 HA LYS A 27 8.749 16.640 1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.454 19.563 1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.478 18.493 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.920 17.135 -0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.295 18.792 -0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.409 18.688 0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.021 17.086 1.326 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.636 16.070 -0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.865 17.286 -1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.254 17.295 -1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.750 18.763 -1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.497 17.585 -0.255 1.00 0.00 H new ATOM 201 N GLY A 28 8.453 16.798 4.176 1.00 0.00 N ATOM 202 CA GLY A 28 8.175 16.822 5.594 1.00 0.00 C ATOM 203 C GLY A 28 6.854 16.150 5.913 1.00 0.00 C ATOM 204 O GLY A 28 6.331 16.282 7.019 1.00 0.00 O ATOM 0 H GLY A 28 8.828 15.915 3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.979 16.320 6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.153 17.854 5.944 1.00 0.00 H new ATOM 208 N GLU A 29 6.314 15.426 4.932 1.00 0.00 N ATOM 209 CA GLU A 29 5.042 14.730 5.105 1.00 0.00 C ATOM 210 C GLU A 29 5.159 13.261 4.708 1.00 0.00 C ATOM 211 O GLU A 29 5.659 12.936 3.631 1.00 0.00 O ATOM 212 CB GLU A 29 3.951 15.407 4.272 1.00 0.00 C ATOM 213 CG GLU A 29 3.835 16.901 4.522 1.00 0.00 C ATOM 214 CD GLU A 29 3.119 17.221 5.820 1.00 0.00 C ATOM 215 OE1 GLU A 29 1.984 16.736 6.006 1.00 0.00 O ATOM 216 OE2 GLU A 29 3.693 17.959 6.648 1.00 0.00 O ATOM 0 H GLU A 29 6.738 15.307 4.012 1.00 0.00 H new ATOM 0 HA GLU A 29 4.773 14.780 6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.156 15.239 3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.993 14.935 4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.832 17.341 4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.300 17.364 3.693 1.00 0.00 H new ATOM 223 N ILE A 30 4.692 12.374 5.585 1.00 0.00 N ATOM 224 CA ILE A 30 4.741 10.945 5.327 1.00 0.00 C ATOM 225 C ILE A 30 3.619 10.517 4.383 1.00 0.00 C ATOM 226 O ILE A 30 2.575 11.163 4.314 1.00 0.00 O ATOM 227 CB ILE A 30 4.645 10.141 6.637 1.00 0.00 C ATOM 228 CG1 ILE A 30 3.277 10.338 7.279 1.00 0.00 C ATOM 229 CG2 ILE A 30 5.755 10.551 7.594 1.00 0.00 C ATOM 230 CD1 ILE A 30 2.576 9.039 7.624 1.00 0.00 C ATOM 0 H ILE A 30 4.275 12.626 6.481 1.00 0.00 H new ATOM 0 HA ILE A 30 5.700 10.736 4.853 1.00 0.00 H new ATOM 0 HB ILE A 30 4.767 9.082 6.408 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.393 10.931 8.186 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.646 10.913 6.601 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.673 9.974 8.515 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.723 10.360 7.131 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.665 11.613 7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.609 9.257 8.077 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.428 8.453 6.717 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.186 8.472 8.327 1.00 0.00 H new ATOM 242 N LEU A 31 3.845 9.422 3.662 1.00 0.00 N ATOM 243 CA LEU A 31 2.855 8.901 2.719 1.00 0.00 C ATOM 244 C LEU A 31 1.469 8.827 3.354 1.00 0.00 C ATOM 245 O LEU A 31 0.497 9.339 2.802 1.00 0.00 O ATOM 246 CB LEU A 31 3.280 7.513 2.236 1.00 0.00 C ATOM 247 CG LEU A 31 2.958 7.207 0.771 1.00 0.00 C ATOM 248 CD1 LEU A 31 4.099 6.435 0.125 1.00 0.00 C ATOM 249 CD2 LEU A 31 1.655 6.428 0.661 1.00 0.00 C ATOM 0 H LEU A 31 4.705 8.877 3.712 1.00 0.00 H new ATOM 0 HA LEU A 31 2.802 9.584 1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.355 7.407 2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.796 6.764 2.862 1.00 0.00 H new ATOM 0 HG LEU A 31 2.838 8.152 0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.853 6.226 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.012 7.029 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.251 5.496 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.443 6.220 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.746 5.489 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.842 7.017 1.086 1.00 0.00 H new ATOM 261 N GLY A 32 1.389 8.189 4.515 1.00 0.00 N ATOM 262 CA GLY A 32 0.118 8.065 5.204 1.00 0.00 C ATOM 263 C GLY A 32 -0.419 6.644 5.214 1.00 0.00 C ATOM 264 O GLY A 32 -1.463 6.377 5.806 1.00 0.00 O ATOM 0 H GLY A 32 2.180 7.756 4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.233 8.411 6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.612 8.719 4.728 1.00 0.00 H new ATOM 268 N VAL A 33 0.293 5.727 4.563 1.00 0.00 N ATOM 269 CA VAL A 33 -0.137 4.333 4.513 1.00 0.00 C ATOM 270 C VAL A 33 0.522 3.515 5.612 1.00 0.00 C ATOM 271 O VAL A 33 1.650 3.786 6.018 1.00 0.00 O ATOM 272 CB VAL A 33 0.177 3.675 3.157 1.00 0.00 C ATOM 273 CG1 VAL A 33 -0.707 4.252 2.063 1.00 0.00 C ATOM 274 CG2 VAL A 33 1.651 3.827 2.810 1.00 0.00 C ATOM 0 H VAL A 33 1.163 5.922 4.067 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.217 4.345 4.656 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.038 2.609 3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.469 3.774 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.754 4.072 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.533 5.325 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.849 3.354 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.904 4.886 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.257 3.350 3.580 1.00 0.00 H new ATOM 284 N VAL A 34 -0.198 2.507 6.083 1.00 0.00 N ATOM 285 CA VAL A 34 0.299 1.633 7.132 1.00 0.00 C ATOM 286 C VAL A 34 0.201 0.174 6.706 1.00 0.00 C ATOM 287 O VAL A 34 -0.863 -0.439 6.791 1.00 0.00 O ATOM 288 CB VAL A 34 -0.485 1.847 8.441 1.00 0.00 C ATOM 289 CG1 VAL A 34 0.001 0.897 9.525 1.00 0.00 C ATOM 290 CG2 VAL A 34 -0.363 3.294 8.893 1.00 0.00 C ATOM 0 H VAL A 34 -1.134 2.274 5.752 1.00 0.00 H new ATOM 0 HA VAL A 34 1.346 1.882 7.306 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.537 1.629 8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.567 1.067 10.439 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.140 -0.133 9.196 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.059 1.075 9.717 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.921 3.434 9.819 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.687 3.535 9.062 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.767 3.951 8.123 1.00 0.00 H new ATOM 300 N ILE A 35 1.317 -0.378 6.241 1.00 0.00 N ATOM 301 CA ILE A 35 1.337 -1.763 5.801 1.00 0.00 C ATOM 302 C ILE A 35 1.784 -2.698 6.918 1.00 0.00 C ATOM 303 O ILE A 35 2.579 -2.325 7.779 1.00 0.00 O ATOM 304 CB ILE A 35 2.238 -1.981 4.566 1.00 0.00 C ATOM 305 CG1 ILE A 35 3.541 -1.182 4.670 1.00 0.00 C ATOM 306 CG2 ILE A 35 1.491 -1.605 3.296 1.00 0.00 C ATOM 307 CD1 ILE A 35 4.332 -1.454 5.931 1.00 0.00 C ATOM 0 H ILE A 35 2.210 0.109 6.161 1.00 0.00 H new ATOM 0 HA ILE A 35 0.310 -1.999 5.520 1.00 0.00 H new ATOM 0 HB ILE A 35 2.499 -3.039 4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.165 -1.410 3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.308 -0.118 4.622 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.138 -1.763 2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.600 -2.226 3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.199 -0.556 3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.240 -0.850 5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.728 -1.198 6.802 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.599 -2.510 5.972 1.00 0.00 H new ATOM 319 N VAL A 36 1.266 -3.920 6.890 1.00 0.00 N ATOM 320 CA VAL A 36 1.609 -4.922 7.890 1.00 0.00 C ATOM 321 C VAL A 36 2.185 -6.165 7.226 1.00 0.00 C ATOM 322 O VAL A 36 2.019 -6.369 6.024 1.00 0.00 O ATOM 323 CB VAL A 36 0.388 -5.320 8.743 1.00 0.00 C ATOM 324 CG1 VAL A 36 0.127 -4.279 9.820 1.00 0.00 C ATOM 325 CG2 VAL A 36 -0.843 -5.512 7.867 1.00 0.00 C ATOM 0 H VAL A 36 0.605 -4.241 6.183 1.00 0.00 H new ATOM 0 HA VAL A 36 2.357 -4.476 8.546 1.00 0.00 H new ATOM 0 HB VAL A 36 0.607 -6.270 9.231 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.738 -4.577 10.412 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.000 -4.199 10.468 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.068 -3.313 9.353 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.693 -5.792 8.490 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.067 -4.582 7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.652 -6.300 7.138 1.00 0.00 H new ATOM 335 N GLU A 37 2.867 -6.992 8.011 1.00 0.00 N ATOM 336 CA GLU A 37 3.474 -8.213 7.492 1.00 0.00 C ATOM 337 C GLU A 37 2.451 -9.065 6.744 1.00 0.00 C ATOM 338 O GLU A 37 1.754 -9.884 7.340 1.00 0.00 O ATOM 339 CB GLU A 37 4.090 -9.026 8.632 1.00 0.00 C ATOM 340 CG GLU A 37 5.177 -9.985 8.176 1.00 0.00 C ATOM 341 CD GLU A 37 4.693 -11.420 8.101 1.00 0.00 C ATOM 342 OE1 GLU A 37 4.289 -11.966 9.149 1.00 0.00 O ATOM 343 OE2 GLU A 37 4.720 -12.000 6.995 1.00 0.00 O ATOM 0 H GLU A 37 3.014 -6.839 9.009 1.00 0.00 H new ATOM 0 HA GLU A 37 4.257 -7.924 6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.507 -8.342 9.371 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.303 -9.592 9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.541 -9.676 7.196 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.021 -9.925 8.863 1.00 0.00 H new ATOM 350 N SER A 38 2.376 -8.868 5.430 1.00 0.00 N ATOM 351 CA SER A 38 1.448 -9.619 4.592 1.00 0.00 C ATOM 352 C SER A 38 1.760 -11.110 4.649 1.00 0.00 C ATOM 353 O SER A 38 2.452 -11.637 3.782 1.00 0.00 O ATOM 354 CB SER A 38 1.533 -9.128 3.144 1.00 0.00 C ATOM 355 OG SER A 38 1.058 -10.109 2.237 1.00 0.00 O ATOM 0 H SER A 38 2.948 -8.193 4.923 1.00 0.00 H new ATOM 0 HA SER A 38 0.438 -9.458 4.968 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.949 -8.214 3.033 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.566 -8.877 2.903 1.00 0.00 H new ATOM 0 HG SER A 38 1.550 -10.946 2.373 1.00 0.00 H new ATOM 448 N PRO A 45 4.167 -12.923 0.014 1.00 0.00 N ATOM 449 CA PRO A 45 4.084 -12.202 1.291 1.00 0.00 C ATOM 450 C PRO A 45 5.088 -11.056 1.384 1.00 0.00 C ATOM 451 O PRO A 45 6.299 -11.278 1.352 1.00 0.00 O ATOM 452 CB PRO A 45 4.409 -13.278 2.332 1.00 0.00 C ATOM 453 CG PRO A 45 4.079 -14.568 1.666 1.00 0.00 C ATOM 454 CD PRO A 45 4.387 -14.368 0.210 1.00 0.00 C ATOM 0 HA PRO A 45 3.108 -11.736 1.427 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.459 -13.241 2.624 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.821 -13.140 3.239 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.669 -15.385 2.082 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.030 -14.826 1.812 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.411 -14.655 -0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.733 -14.965 -0.426 1.00 0.00 H new ATOM 462 N THR A 46 4.582 -9.831 1.502 1.00 0.00 N ATOM 463 CA THR A 46 5.445 -8.656 1.601 1.00 0.00 C ATOM 464 C THR A 46 4.882 -7.632 2.591 1.00 0.00 C ATOM 465 O THR A 46 5.479 -7.382 3.638 1.00 0.00 O ATOM 466 CB THR A 46 5.646 -8.009 0.225 1.00 0.00 C ATOM 467 OG1 THR A 46 6.105 -6.676 0.361 1.00 0.00 O ATOM 468 CG2 THR A 46 4.394 -7.976 -0.626 1.00 0.00 C ATOM 0 H THR A 46 3.583 -9.626 1.531 1.00 0.00 H new ATOM 0 HA THR A 46 6.413 -8.991 1.974 1.00 0.00 H new ATOM 0 HB THR A 46 6.382 -8.638 -0.276 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.929 -6.183 -0.468 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.617 -7.504 -1.583 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.043 -8.994 -0.796 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.620 -7.407 -0.112 1.00 0.00 H new ATOM 476 N VAL A 47 3.739 -7.037 2.255 1.00 0.00 N ATOM 477 CA VAL A 47 3.116 -6.038 3.124 1.00 0.00 C ATOM 478 C VAL A 47 1.634 -5.859 2.797 1.00 0.00 C ATOM 479 O VAL A 47 1.162 -6.293 1.746 1.00 0.00 O ATOM 480 CB VAL A 47 3.824 -4.667 3.022 1.00 0.00 C ATOM 481 CG1 VAL A 47 4.568 -4.355 4.312 1.00 0.00 C ATOM 482 CG2 VAL A 47 4.773 -4.625 1.833 1.00 0.00 C ATOM 0 H VAL A 47 3.227 -7.227 1.393 1.00 0.00 H new ATOM 0 HA VAL A 47 3.217 -6.412 4.143 1.00 0.00 H new ATOM 0 HB VAL A 47 3.061 -3.905 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.061 -3.387 4.223 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.862 -4.328 5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.315 -5.127 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.256 -3.649 1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.531 -5.400 1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.212 -4.796 0.914 1.00 0.00 H new ATOM 492 N ILE A 48 0.907 -5.214 3.707 1.00 0.00 N ATOM 493 CA ILE A 48 -0.523 -4.970 3.519 1.00 0.00 C ATOM 494 C ILE A 48 -0.929 -3.620 4.082 1.00 0.00 C ATOM 495 O ILE A 48 -0.857 -3.415 5.290 1.00 0.00 O ATOM 496 CB ILE A 48 -1.416 -6.021 4.225 1.00 0.00 C ATOM 497 CG1 ILE A 48 -0.644 -7.283 4.606 1.00 0.00 C ATOM 498 CG2 ILE A 48 -2.609 -6.369 3.355 1.00 0.00 C ATOM 499 CD1 ILE A 48 -1.041 -7.820 5.962 1.00 0.00 C ATOM 0 H ILE A 48 1.284 -4.851 4.582 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.674 -5.020 2.441 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.768 -5.572 5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.815 -8.051 3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.424 -7.066 4.604 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.227 -7.108 3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.197 -5.471 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.261 -6.778 2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.462 -8.717 6.182 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.845 -7.065 6.724 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.103 -8.066 5.959 1.00 0.00 H new ATOM 511 N ILE A 49 -1.398 -2.718 3.222 1.00 0.00 N ATOM 512 CA ILE A 49 -1.857 -1.414 3.684 1.00 0.00 C ATOM 513 C ILE A 49 -3.045 -1.608 4.616 1.00 0.00 C ATOM 514 O ILE A 49 -4.191 -1.338 4.253 1.00 0.00 O ATOM 515 CB ILE A 49 -2.266 -0.495 2.512 1.00 0.00 C ATOM 516 CG1 ILE A 49 -1.068 -0.242 1.597 1.00 0.00 C ATOM 517 CG2 ILE A 49 -2.826 0.826 3.032 1.00 0.00 C ATOM 518 CD1 ILE A 49 -1.449 0.329 0.249 1.00 0.00 C ATOM 0 H ILE A 49 -1.469 -2.865 2.215 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.032 -0.931 4.208 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.047 -0.994 1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.381 0.444 2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.531 -1.179 1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.108 1.458 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.703 0.632 3.649 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.068 1.333 3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.550 0.483 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.112 -0.366 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.960 1.282 0.389 1.00 0.00 H new ATOM 530 N ALA A 50 -2.761 -2.102 5.813 1.00 0.00 N ATOM 531 CA ALA A 50 -3.793 -2.362 6.802 1.00 0.00 C ATOM 532 C ALA A 50 -4.685 -1.139 6.994 1.00 0.00 C ATOM 533 O ALA A 50 -5.853 -1.258 7.364 1.00 0.00 O ATOM 534 CB ALA A 50 -3.156 -2.796 8.112 1.00 0.00 C ATOM 0 H ALA A 50 -1.817 -2.332 6.122 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.428 -3.172 6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.935 -2.989 8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.576 -3.704 7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.500 -2.006 8.477 1.00 0.00 H new ATOM 540 N ASN A 51 -4.126 0.034 6.715 1.00 0.00 N ATOM 541 CA ASN A 51 -4.863 1.282 6.827 1.00 0.00 C ATOM 542 C ASN A 51 -4.122 2.402 6.108 1.00 0.00 C ATOM 543 O ASN A 51 -2.965 2.245 5.716 1.00 0.00 O ATOM 544 CB ASN A 51 -5.110 1.643 8.289 1.00 0.00 C ATOM 545 CG ASN A 51 -3.857 1.564 9.122 1.00 0.00 C ATOM 546 OD1 ASN A 51 -3.425 0.483 9.520 1.00 0.00 O ATOM 547 ND2 ASN A 51 -3.264 2.715 9.390 1.00 0.00 N ATOM 0 H ASN A 51 -3.159 0.144 6.408 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.834 1.150 6.349 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.518 2.652 8.347 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.861 0.971 8.704 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.411 2.731 9.949 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.660 3.587 9.038 1.00 0.00 H new ATOM 554 N MET A 52 -4.805 3.520 5.917 1.00 0.00 N ATOM 555 CA MET A 52 -4.230 4.659 5.218 1.00 0.00 C ATOM 556 C MET A 52 -4.898 5.958 5.661 1.00 0.00 C ATOM 557 O MET A 52 -6.105 5.999 5.901 1.00 0.00 O ATOM 558 CB MET A 52 -4.388 4.452 3.714 1.00 0.00 C ATOM 559 CG MET A 52 -4.094 5.686 2.872 1.00 0.00 C ATOM 560 SD MET A 52 -5.488 6.178 1.842 1.00 0.00 S ATOM 561 CE MET A 52 -6.176 4.577 1.435 1.00 0.00 C ATOM 0 H MET A 52 -5.763 3.663 6.238 1.00 0.00 H new ATOM 0 HA MET A 52 -3.170 4.735 5.461 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.724 3.647 3.399 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.407 4.123 3.510 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.824 6.513 3.529 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.230 5.489 2.237 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.653 4.624 0.456 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.380 3.833 1.416 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.915 4.297 2.185 1.00 0.00 H new ATOM 571 N MET A 53 -4.103 7.018 5.770 1.00 0.00 N ATOM 572 CA MET A 53 -4.611 8.322 6.188 1.00 0.00 C ATOM 573 C MET A 53 -5.799 8.751 5.328 1.00 0.00 C ATOM 574 O MET A 53 -5.800 8.557 4.111 1.00 0.00 O ATOM 575 CB MET A 53 -3.501 9.373 6.110 1.00 0.00 C ATOM 576 CG MET A 53 -3.395 10.237 7.357 1.00 0.00 C ATOM 577 SD MET A 53 -1.687 10.487 7.884 1.00 0.00 S ATOM 578 CE MET A 53 -1.204 8.807 8.273 1.00 0.00 C ATOM 0 H MET A 53 -3.102 7.000 5.574 1.00 0.00 H new ATOM 0 HA MET A 53 -4.950 8.236 7.220 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.548 8.871 5.943 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.679 10.015 5.247 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.857 11.205 7.164 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.957 9.771 8.166 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.126 8.764 8.425 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.712 8.484 9.182 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.480 8.149 7.449 1.00 0.00 H new ATOM 588 N HIS A 54 -6.807 9.335 5.969 1.00 0.00 N ATOM 589 CA HIS A 54 -7.999 9.791 5.264 1.00 0.00 C ATOM 590 C HIS A 54 -7.760 11.151 4.612 1.00 0.00 C ATOM 591 O HIS A 54 -8.216 12.180 5.109 1.00 0.00 O ATOM 592 CB HIS A 54 -9.186 9.872 6.228 1.00 0.00 C ATOM 593 CG HIS A 54 -10.458 9.324 5.660 1.00 0.00 C ATOM 594 ND1 HIS A 54 -11.283 10.047 4.824 1.00 0.00 N ATOM 595 CD2 HIS A 54 -11.047 8.114 5.813 1.00 0.00 C ATOM 596 CE1 HIS A 54 -12.324 9.307 4.487 1.00 0.00 C ATOM 597 NE2 HIS A 54 -12.205 8.130 5.073 1.00 0.00 N ATOM 0 H HIS A 54 -6.822 9.503 6.975 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.226 9.070 4.479 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.941 9.327 7.140 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.343 10.913 6.511 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.676 7.291 6.406 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -13.134 9.613 3.842 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -12.866 7.357 4.990 1.00 0.00 H new ATOM 606 N GLY A 55 -7.041 11.145 3.493 1.00 0.00 N ATOM 607 CA GLY A 55 -6.753 12.382 2.790 1.00 0.00 C ATOM 608 C GLY A 55 -5.266 12.603 2.580 1.00 0.00 C ATOM 609 O GLY A 55 -4.865 13.399 1.733 1.00 0.00 O ATOM 0 H GLY A 55 -6.653 10.306 3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.255 12.371 1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.165 13.220 3.353 1.00 0.00 H new ATOM 613 N GLY A 56 -4.446 11.898 3.356 1.00 0.00 N ATOM 614 CA GLY A 56 -3.007 12.040 3.237 1.00 0.00 C ATOM 615 C GLY A 56 -2.506 11.740 1.835 1.00 0.00 C ATOM 616 O GLY A 56 -3.296 11.429 0.945 1.00 0.00 O ATOM 0 H GLY A 56 -4.754 11.232 4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.722 13.056 3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.519 11.369 3.945 1.00 0.00 H new ATOM 620 N PRO A 57 -1.183 11.827 1.610 1.00 0.00 N ATOM 621 CA PRO A 57 -0.581 11.562 0.299 1.00 0.00 C ATOM 622 C PRO A 57 -1.103 10.280 -0.341 1.00 0.00 C ATOM 623 O PRO A 57 -1.429 10.256 -1.529 1.00 0.00 O ATOM 624 CB PRO A 57 0.906 11.436 0.622 1.00 0.00 C ATOM 625 CG PRO A 57 1.100 12.306 1.812 1.00 0.00 C ATOM 626 CD PRO A 57 -0.167 12.196 2.617 1.00 0.00 C ATOM 0 HA PRO A 57 -0.814 12.344 -0.423 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.180 10.403 0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.524 11.763 -0.214 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.962 11.983 2.395 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.285 13.338 1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.082 11.440 3.398 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.413 13.137 3.109 1.00 0.00 H new ATOM 634 N ALA A 58 -1.180 9.215 0.450 1.00 0.00 N ATOM 635 CA ALA A 58 -1.662 7.934 -0.044 1.00 0.00 C ATOM 636 C ALA A 58 -3.073 8.064 -0.604 1.00 0.00 C ATOM 637 O ALA A 58 -3.360 7.592 -1.705 1.00 0.00 O ATOM 638 CB ALA A 58 -1.626 6.895 1.065 1.00 0.00 C ATOM 0 H ALA A 58 -0.915 9.215 1.435 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.005 7.609 -0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.989 5.941 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.602 6.777 1.420 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.261 7.220 1.889 1.00 0.00 H new ATOM 644 N GLU A 59 -3.949 8.715 0.153 1.00 0.00 N ATOM 645 CA GLU A 59 -5.324 8.916 -0.273 1.00 0.00 C ATOM 646 C GLU A 59 -5.386 9.916 -1.418 1.00 0.00 C ATOM 647 O GLU A 59 -6.258 9.842 -2.284 1.00 0.00 O ATOM 648 CB GLU A 59 -6.174 9.411 0.896 1.00 0.00 C ATOM 649 CG GLU A 59 -7.653 9.498 0.570 1.00 0.00 C ATOM 650 CD GLU A 59 -8.533 9.097 1.738 1.00 0.00 C ATOM 651 OE1 GLU A 59 -8.172 8.137 2.450 1.00 0.00 O ATOM 652 OE2 GLU A 59 -9.582 9.743 1.939 1.00 0.00 O ATOM 0 H GLU A 59 -3.728 9.112 1.066 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.719 7.961 -0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.035 8.742 1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.819 10.395 1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.896 10.518 0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.872 8.855 -0.282 1.00 0.00 H new ATOM 659 N LYS A 60 -4.450 10.852 -1.407 1.00 0.00 N ATOM 660 CA LYS A 60 -4.373 11.883 -2.429 1.00 0.00 C ATOM 661 C LYS A 60 -4.122 11.274 -3.803 1.00 0.00 C ATOM 662 O LYS A 60 -4.801 11.606 -4.776 1.00 0.00 O ATOM 663 CB LYS A 60 -3.265 12.882 -2.093 1.00 0.00 C ATOM 664 CG LYS A 60 -3.687 13.946 -1.091 1.00 0.00 C ATOM 665 CD LYS A 60 -3.114 15.307 -1.448 1.00 0.00 C ATOM 666 CE LYS A 60 -2.777 16.114 -0.204 1.00 0.00 C ATOM 667 NZ LYS A 60 -2.746 17.578 -0.480 1.00 0.00 N ATOM 0 H LYS A 60 -3.725 10.918 -0.692 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.330 12.404 -2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.407 12.340 -1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.936 13.369 -3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.775 14.005 -1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.354 13.660 -0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.217 15.178 -2.053 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.832 15.857 -2.056 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.513 15.907 0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.808 15.797 0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.513 18.091 0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.026 17.780 -1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.678 17.886 -0.824 1.00 0.00 H new ATOM 681 N SER A 61 -3.141 10.379 -3.878 1.00 0.00 N ATOM 682 CA SER A 61 -2.795 9.721 -5.131 1.00 0.00 C ATOM 683 C SER A 61 -4.018 9.064 -5.761 1.00 0.00 C ATOM 684 O SER A 61 -4.122 8.962 -6.983 1.00 0.00 O ATOM 685 CB SER A 61 -1.705 8.674 -4.894 1.00 0.00 C ATOM 686 OG SER A 61 -1.378 7.997 -6.095 1.00 0.00 O ATOM 0 H SER A 61 -2.571 10.093 -3.082 1.00 0.00 H new ATOM 0 HA SER A 61 -2.421 10.480 -5.819 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.815 9.156 -4.491 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.043 7.955 -4.148 1.00 0.00 H new ATOM 0 HG SER A 61 -0.528 8.339 -6.442 1.00 0.00 H new ATOM 692 N GLY A 62 -4.940 8.616 -4.916 1.00 0.00 N ATOM 693 CA GLY A 62 -6.142 7.969 -5.408 1.00 0.00 C ATOM 694 C GLY A 62 -5.855 6.627 -6.053 1.00 0.00 C ATOM 695 O GLY A 62 -6.662 6.122 -6.833 1.00 0.00 O ATOM 0 H GLY A 62 -4.877 8.689 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.840 7.830 -4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.631 8.620 -6.133 1.00 0.00 H new ATOM 699 N LYS A 63 -4.703 6.049 -5.726 1.00 0.00 N ATOM 700 CA LYS A 63 -4.312 4.758 -6.281 1.00 0.00 C ATOM 701 C LYS A 63 -4.267 3.694 -5.192 1.00 0.00 C ATOM 702 O LYS A 63 -4.814 2.602 -5.352 1.00 0.00 O ATOM 703 CB LYS A 63 -2.939 4.850 -6.950 1.00 0.00 C ATOM 704 CG LYS A 63 -2.703 6.146 -7.712 1.00 0.00 C ATOM 705 CD LYS A 63 -3.285 6.082 -9.115 1.00 0.00 C ATOM 706 CE LYS A 63 -4.707 6.614 -9.150 1.00 0.00 C ATOM 707 NZ LYS A 63 -5.200 6.792 -10.542 1.00 0.00 N ATOM 0 H LYS A 63 -4.025 6.454 -5.080 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.057 4.479 -7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.168 4.744 -6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.825 4.012 -7.637 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.153 6.976 -7.168 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.633 6.346 -7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.661 6.661 -9.796 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.272 5.051 -9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.365 5.927 -8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.750 7.568 -8.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.174 7.157 -10.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.588 7.467 -11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.183 5.877 -11.036 1.00 0.00 H new ATOM 721 N LEU A 64 -3.597 4.014 -4.092 1.00 0.00 N ATOM 722 CA LEU A 64 -3.464 3.080 -2.983 1.00 0.00 C ATOM 723 C LEU A 64 -4.683 3.106 -2.073 1.00 0.00 C ATOM 724 O LEU A 64 -5.011 4.130 -1.475 1.00 0.00 O ATOM 725 CB LEU A 64 -2.211 3.396 -2.166 1.00 0.00 C ATOM 726 CG LEU A 64 -0.911 2.810 -2.718 1.00 0.00 C ATOM 727 CD1 LEU A 64 0.268 3.230 -1.856 1.00 0.00 C ATOM 728 CD2 LEU A 64 -0.996 1.293 -2.804 1.00 0.00 C ATOM 0 H LEU A 64 -3.138 4.913 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.380 2.081 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.104 4.479 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.355 3.027 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.761 3.200 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.186 2.805 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.344 4.317 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.121 2.870 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.060 0.898 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.173 0.882 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.816 1.011 -3.464 1.00 0.00 H new ATOM 740 N ASN A 65 -5.336 1.958 -1.962 1.00 0.00 N ATOM 741 CA ASN A 65 -6.509 1.819 -1.111 1.00 0.00 C ATOM 742 C ASN A 65 -6.253 0.760 -0.045 1.00 0.00 C ATOM 743 O ASN A 65 -5.667 -0.282 -0.333 1.00 0.00 O ATOM 744 CB ASN A 65 -7.733 1.440 -1.946 1.00 0.00 C ATOM 745 CG ASN A 65 -7.482 0.228 -2.823 1.00 0.00 C ATOM 746 OD1 ASN A 65 -7.917 -0.879 -2.511 1.00 0.00 O ATOM 747 ND2 ASN A 65 -6.775 0.434 -3.929 1.00 0.00 N ATOM 0 H ASN A 65 -5.071 1.105 -2.454 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.705 2.775 -0.625 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.573 1.237 -1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.018 2.285 -2.572 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.574 -0.343 -4.558 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.433 1.370 -4.149 1.00 0.00 H new ATOM 754 N ILE A 66 -6.684 1.036 1.186 1.00 0.00 N ATOM 755 CA ILE A 66 -6.491 0.105 2.297 1.00 0.00 C ATOM 756 C ILE A 66 -6.644 -1.348 1.848 1.00 0.00 C ATOM 757 O ILE A 66 -7.604 -1.701 1.163 1.00 0.00 O ATOM 758 CB ILE A 66 -7.469 0.406 3.448 1.00 0.00 C ATOM 759 CG1 ILE A 66 -7.026 1.677 4.168 1.00 0.00 C ATOM 760 CG2 ILE A 66 -7.538 -0.761 4.425 1.00 0.00 C ATOM 761 CD1 ILE A 66 -7.850 1.993 5.389 1.00 0.00 C ATOM 0 H ILE A 66 -7.169 1.897 1.439 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.472 0.244 2.657 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.467 0.552 3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.981 1.574 4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.081 2.516 3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.235 -0.523 5.228 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.879 -1.654 3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.549 -0.942 4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.480 2.908 5.851 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.892 2.128 5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.775 1.171 6.101 1.00 0.00 H new ATOM 773 N GLY A 67 -5.678 -2.179 2.226 1.00 0.00 N ATOM 774 CA GLY A 67 -5.706 -3.577 1.841 1.00 0.00 C ATOM 775 C GLY A 67 -4.866 -3.845 0.604 1.00 0.00 C ATOM 776 O GLY A 67 -4.842 -4.964 0.092 1.00 0.00 O ATOM 0 H GLY A 67 -4.875 -1.908 2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.340 -4.187 2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.736 -3.880 1.652 1.00 0.00 H new ATOM 780 N ASP A 68 -4.175 -2.812 0.128 1.00 0.00 N ATOM 781 CA ASP A 68 -3.327 -2.928 -1.052 1.00 0.00 C ATOM 782 C ASP A 68 -2.014 -3.620 -0.708 1.00 0.00 C ATOM 783 O ASP A 68 -1.263 -3.155 0.149 1.00 0.00 O ATOM 784 CB ASP A 68 -3.063 -1.543 -1.642 1.00 0.00 C ATOM 785 CG ASP A 68 -3.934 -1.249 -2.848 1.00 0.00 C ATOM 786 OD1 ASP A 68 -4.615 -2.177 -3.333 1.00 0.00 O ATOM 787 OD2 ASP A 68 -3.938 -0.088 -3.309 1.00 0.00 O ATOM 0 H ASP A 68 -4.187 -1.881 0.545 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.845 -3.536 -1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.240 -0.786 -0.877 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.014 -1.468 -1.929 1.00 0.00 H new ATOM 792 N GLN A 69 -1.744 -4.737 -1.377 1.00 0.00 N ATOM 793 CA GLN A 69 -0.521 -5.490 -1.133 1.00 0.00 C ATOM 794 C GLN A 69 0.660 -4.839 -1.841 1.00 0.00 C ATOM 795 O GLN A 69 1.059 -5.261 -2.926 1.00 0.00 O ATOM 796 CB GLN A 69 -0.678 -6.939 -1.601 1.00 0.00 C ATOM 797 CG GLN A 69 0.419 -7.860 -1.091 1.00 0.00 C ATOM 798 CD GLN A 69 -0.009 -9.314 -1.058 1.00 0.00 C ATOM 799 OE1 GLN A 69 -1.199 -9.623 -1.074 1.00 0.00 O ATOM 800 NE2 GLN A 69 0.966 -10.215 -1.010 1.00 0.00 N ATOM 0 H GLN A 69 -2.354 -5.138 -2.089 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.330 -5.487 -0.060 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.644 -7.318 -1.268 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.685 -6.962 -2.691 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.298 -7.758 -1.727 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.713 -7.549 -0.089 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.940 -9.912 -0.998 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.741 -11.209 -0.985 1.00 0.00 H new ATOM 809 N ILE A 70 1.211 -3.804 -1.219 1.00 0.00 N ATOM 810 CA ILE A 70 2.346 -3.084 -1.785 1.00 0.00 C ATOM 811 C ILE A 70 3.523 -4.025 -2.034 1.00 0.00 C ATOM 812 O ILE A 70 3.757 -4.956 -1.262 1.00 0.00 O ATOM 813 CB ILE A 70 2.794 -1.936 -0.857 1.00 0.00 C ATOM 814 CG1 ILE A 70 1.574 -1.142 -0.373 1.00 0.00 C ATOM 815 CG2 ILE A 70 3.787 -1.029 -1.574 1.00 0.00 C ATOM 816 CD1 ILE A 70 1.921 0.207 0.221 1.00 0.00 C ATOM 0 H ILE A 70 0.890 -3.443 -0.321 1.00 0.00 H new ATOM 0 HA ILE A 70 2.021 -2.663 -2.736 1.00 0.00 H new ATOM 0 HB ILE A 70 3.294 -2.360 0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.892 -0.996 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.041 -1.731 0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.093 -0.224 -0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.662 -1.608 -1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.317 -0.605 -2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.008 0.710 0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.578 0.068 1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.427 0.815 -0.529 1.00 0.00 H new ATOM 828 N MET A 71 4.254 -3.785 -3.118 1.00 0.00 N ATOM 829 CA MET A 71 5.397 -4.622 -3.469 1.00 0.00 C ATOM 830 C MET A 71 6.718 -3.892 -3.243 1.00 0.00 C ATOM 831 O MET A 71 7.678 -4.476 -2.742 1.00 0.00 O ATOM 832 CB MET A 71 5.299 -5.068 -4.929 1.00 0.00 C ATOM 833 CG MET A 71 4.194 -6.080 -5.184 1.00 0.00 C ATOM 834 SD MET A 71 4.702 -7.769 -4.809 1.00 0.00 S ATOM 835 CE MET A 71 3.345 -8.307 -3.771 1.00 0.00 C ATOM 0 H MET A 71 4.076 -3.019 -3.768 1.00 0.00 H new ATOM 0 HA MET A 71 5.376 -5.496 -2.818 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.131 -4.193 -5.557 1.00 0.00 H new ATOM 0 HB3 MET A 71 6.253 -5.500 -5.233 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.324 -5.823 -4.579 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.885 -6.020 -6.228 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.689 -9.097 -3.103 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.982 -7.465 -3.181 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.537 -8.687 -4.396 1.00 0.00 H new ATOM 845 N SER A 72 6.766 -2.617 -3.619 1.00 0.00 N ATOM 846 CA SER A 72 7.981 -1.824 -3.458 1.00 0.00 C ATOM 847 C SER A 72 7.658 -0.335 -3.398 1.00 0.00 C ATOM 848 O SER A 72 6.631 0.105 -3.913 1.00 0.00 O ATOM 849 CB SER A 72 8.948 -2.099 -4.610 1.00 0.00 C ATOM 850 OG SER A 72 8.473 -1.536 -5.821 1.00 0.00 O ATOM 0 H SER A 72 5.983 -2.113 -4.035 1.00 0.00 H new ATOM 0 HA SER A 72 8.451 -2.113 -2.518 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.928 -1.685 -4.373 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.077 -3.174 -4.731 1.00 0.00 H new ATOM 0 HG SER A 72 9.110 -1.724 -6.541 1.00 0.00 H new ATOM 856 N ILE A 73 8.538 0.436 -2.767 1.00 0.00 N ATOM 857 CA ILE A 73 8.340 1.875 -2.641 1.00 0.00 C ATOM 858 C ILE A 73 9.480 2.656 -3.288 1.00 0.00 C ATOM 859 O ILE A 73 10.645 2.484 -2.932 1.00 0.00 O ATOM 860 CB ILE A 73 8.202 2.292 -1.167 1.00 0.00 C ATOM 861 CG1 ILE A 73 7.044 1.533 -0.525 1.00 0.00 C ATOM 862 CG2 ILE A 73 7.987 3.795 -1.055 1.00 0.00 C ATOM 863 CD1 ILE A 73 7.337 1.063 0.877 1.00 0.00 C ATOM 0 H ILE A 73 9.394 0.088 -2.335 1.00 0.00 H new ATOM 0 HA ILE A 73 7.414 2.113 -3.164 1.00 0.00 H new ATOM 0 HB ILE A 73 9.123 2.043 -0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.164 2.176 -0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.797 0.671 -1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.892 4.072 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.838 4.318 -1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.078 4.073 -1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.471 0.532 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.198 0.394 0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.555 1.923 1.511 1.00 0.00 H new ATOM 875 N ASN A 74 9.131 3.516 -4.243 1.00 0.00 N ATOM 876 CA ASN A 74 10.121 4.330 -4.948 1.00 0.00 C ATOM 877 C ASN A 74 11.292 3.474 -5.425 1.00 0.00 C ATOM 878 O ASN A 74 12.416 3.957 -5.554 1.00 0.00 O ATOM 879 CB ASN A 74 10.626 5.452 -4.037 1.00 0.00 C ATOM 880 CG ASN A 74 10.079 6.809 -4.435 1.00 0.00 C ATOM 881 OD1 ASN A 74 9.739 7.039 -5.595 1.00 0.00 O ATOM 882 ND2 ASN A 74 9.992 7.717 -3.469 1.00 0.00 N ATOM 0 H ASN A 74 8.169 3.668 -4.547 1.00 0.00 H new ATOM 0 HA ASN A 74 9.641 4.769 -5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.341 5.236 -3.007 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.715 5.479 -4.068 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.632 8.649 -3.676 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.286 7.483 -2.521 1.00 0.00 H new ATOM 889 N GLY A 75 11.019 2.197 -5.679 1.00 0.00 N ATOM 890 CA GLY A 75 12.058 1.294 -6.131 1.00 0.00 C ATOM 891 C GLY A 75 12.668 0.498 -4.992 1.00 0.00 C ATOM 892 O GLY A 75 13.794 0.012 -5.100 1.00 0.00 O ATOM 0 H GLY A 75 10.096 1.774 -5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.643 0.608 -6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.840 1.865 -6.631 1.00 0.00 H new ATOM 896 N THR A 76 11.926 0.368 -3.896 1.00 0.00 N ATOM 897 CA THR A 76 12.401 -0.372 -2.734 1.00 0.00 C ATOM 898 C THR A 76 11.530 -1.596 -2.479 1.00 0.00 C ATOM 899 O THR A 76 10.478 -1.503 -1.846 1.00 0.00 O ATOM 900 CB THR A 76 12.407 0.530 -1.504 1.00 0.00 C ATOM 901 OG1 THR A 76 12.940 1.805 -1.819 1.00 0.00 O ATOM 902 CG2 THR A 76 13.211 -0.032 -0.351 1.00 0.00 C ATOM 0 H THR A 76 10.993 0.766 -3.789 1.00 0.00 H new ATOM 0 HA THR A 76 13.418 -0.709 -2.935 1.00 0.00 H new ATOM 0 HB THR A 76 11.364 0.603 -1.196 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.227 2.381 -2.166 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.173 0.660 0.491 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.793 -0.993 -0.050 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.247 -0.168 -0.662 1.00 0.00 H new ATOM 910 N SER A 77 11.973 -2.746 -2.980 1.00 0.00 N ATOM 911 CA SER A 77 11.233 -3.994 -2.813 1.00 0.00 C ATOM 912 C SER A 77 10.896 -4.244 -1.346 1.00 0.00 C ATOM 913 O SER A 77 11.739 -4.076 -0.464 1.00 0.00 O ATOM 914 CB SER A 77 12.042 -5.167 -3.373 1.00 0.00 C ATOM 915 OG SER A 77 11.412 -5.724 -4.513 1.00 0.00 O ATOM 0 H SER A 77 12.842 -2.840 -3.506 1.00 0.00 H new ATOM 0 HA SER A 77 10.298 -3.907 -3.366 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.044 -4.829 -3.637 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.156 -5.933 -2.606 1.00 0.00 H new ATOM 0 HG SER A 77 11.950 -6.470 -4.852 1.00 0.00 H new ATOM 921 N LEU A 78 9.656 -4.649 -1.094 1.00 0.00 N ATOM 922 CA LEU A 78 9.199 -4.927 0.262 1.00 0.00 C ATOM 923 C LEU A 78 9.020 -6.425 0.491 1.00 0.00 C ATOM 924 O LEU A 78 8.568 -6.849 1.555 1.00 0.00 O ATOM 925 CB LEU A 78 7.884 -4.199 0.535 1.00 0.00 C ATOM 926 CG LEU A 78 8.005 -2.684 0.670 1.00 0.00 C ATOM 927 CD1 LEU A 78 6.638 -2.028 0.554 1.00 0.00 C ATOM 928 CD2 LEU A 78 8.668 -2.320 1.989 1.00 0.00 C ATOM 0 H LEU A 78 8.948 -4.792 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 78 9.962 -4.566 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.187 -4.423 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.448 -4.597 1.451 1.00 0.00 H new ATOM 0 HG LEU A 78 8.631 -2.312 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.743 -0.948 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.203 -2.263 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.987 -2.403 1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.747 -1.236 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.069 -2.703 2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.664 -2.760 2.029 1.00 0.00 H new ATOM 940 N VAL A 79 9.373 -7.223 -0.511 1.00 0.00 N ATOM 941 CA VAL A 79 9.250 -8.671 -0.413 1.00 0.00 C ATOM 942 C VAL A 79 10.472 -9.278 0.263 1.00 0.00 C ATOM 943 O VAL A 79 11.599 -9.101 -0.198 1.00 0.00 O ATOM 944 CB VAL A 79 9.081 -9.317 -1.799 1.00 0.00 C ATOM 945 CG1 VAL A 79 8.607 -10.755 -1.665 1.00 0.00 C ATOM 946 CG2 VAL A 79 8.122 -8.508 -2.659 1.00 0.00 C ATOM 0 H VAL A 79 9.747 -6.891 -1.400 1.00 0.00 H new ATOM 0 HA VAL A 79 8.362 -8.872 0.186 1.00 0.00 H new ATOM 0 HB VAL A 79 10.052 -9.324 -2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.493 -11.195 -2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.339 -11.328 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.648 -10.775 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.018 -8.984 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.148 -8.461 -2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 79 8.512 -7.498 -2.788 1.00 0.00 H new ATOM 956 N GLY A 80 10.244 -9.997 1.355 1.00 0.00 N ATOM 957 CA GLY A 80 11.340 -10.621 2.070 1.00 0.00 C ATOM 958 C GLY A 80 11.764 -9.838 3.295 1.00 0.00 C ATOM 959 O GLY A 80 12.346 -10.398 4.224 1.00 0.00 O ATOM 0 H GLY A 80 9.321 -10.159 1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.046 -11.626 2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.192 -10.726 1.399 1.00 0.00 H new ATOM 963 N LEU A 81 11.475 -8.538 3.306 1.00 0.00 N ATOM 964 CA LEU A 81 11.841 -7.697 4.441 1.00 0.00 C ATOM 965 C LEU A 81 10.681 -7.577 5.432 1.00 0.00 C ATOM 966 O LEU A 81 9.560 -7.241 5.049 1.00 0.00 O ATOM 967 CB LEU A 81 12.286 -6.304 3.979 1.00 0.00 C ATOM 968 CG LEU A 81 11.564 -5.740 2.751 1.00 0.00 C ATOM 969 CD1 LEU A 81 11.597 -4.220 2.774 1.00 0.00 C ATOM 970 CD2 LEU A 81 12.201 -6.266 1.473 1.00 0.00 C ATOM 0 H LEU A 81 10.994 -8.050 2.551 1.00 0.00 H new ATOM 0 HA LEU A 81 12.680 -8.176 4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.150 -5.608 4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.354 -6.339 3.764 1.00 0.00 H new ATOM 0 HG LEU A 81 10.524 -6.066 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.081 -3.832 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.102 -3.859 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.632 -3.878 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.677 -5.856 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.248 -5.965 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.135 -7.354 1.455 1.00 0.00 H new ATOM 982 N PRO A 82 10.936 -7.858 6.726 1.00 0.00 N ATOM 983 CA PRO A 82 9.906 -7.788 7.771 1.00 0.00 C ATOM 984 C PRO A 82 9.171 -6.453 7.783 1.00 0.00 C ATOM 985 O PRO A 82 9.408 -5.593 6.933 1.00 0.00 O ATOM 986 CB PRO A 82 10.700 -7.968 9.068 1.00 0.00 C ATOM 987 CG PRO A 82 11.915 -8.727 8.666 1.00 0.00 C ATOM 988 CD PRO A 82 12.245 -8.273 7.270 1.00 0.00 C ATOM 0 HA PRO A 82 9.129 -8.537 7.620 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.962 -7.006 9.508 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.122 -8.513 9.814 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.743 -8.528 9.347 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.731 -9.801 8.694 1.00 0.00 H new ATOM 0 HD2 PRO A 82 12.958 -7.449 7.274 1.00 0.00 H new ATOM 0 HD3 PRO A 82 12.689 -9.076 6.681 1.00 0.00 H new ATOM 996 N LEU A 83 8.275 -6.287 8.751 1.00 0.00 N ATOM 997 CA LEU A 83 7.500 -5.058 8.876 1.00 0.00 C ATOM 998 C LEU A 83 8.385 -3.898 9.319 1.00 0.00 C ATOM 999 O LEU A 83 8.182 -2.759 8.902 1.00 0.00 O ATOM 1000 CB LEU A 83 6.354 -5.247 9.875 1.00 0.00 C ATOM 1001 CG LEU A 83 5.612 -3.965 10.260 1.00 0.00 C ATOM 1002 CD1 LEU A 83 4.856 -3.407 9.066 1.00 0.00 C ATOM 1003 CD2 LEU A 83 4.664 -4.227 11.421 1.00 0.00 C ATOM 0 H LEU A 83 8.068 -6.989 9.461 1.00 0.00 H new ATOM 0 HA LEU A 83 7.084 -4.823 7.896 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.637 -5.951 9.453 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.753 -5.703 10.781 1.00 0.00 H new ATOM 0 HG LEU A 83 6.346 -3.224 10.577 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.335 -2.496 9.359 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.558 -3.181 8.264 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.132 -4.143 8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.145 -3.305 11.682 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.935 -4.985 11.132 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.232 -4.580 12.282 1.00 0.00 H new ATOM 1015 N SER A 84 9.367 -4.190 10.164 1.00 0.00 N ATOM 1016 CA SER A 84 10.278 -3.164 10.658 1.00 0.00 C ATOM 1017 C SER A 84 10.902 -2.396 9.499 1.00 0.00 C ATOM 1018 O SER A 84 10.963 -1.165 9.512 1.00 0.00 O ATOM 1019 CB SER A 84 11.375 -3.793 11.519 1.00 0.00 C ATOM 1020 OG SER A 84 11.020 -3.776 12.891 1.00 0.00 O ATOM 0 H SER A 84 9.553 -5.127 10.521 1.00 0.00 H new ATOM 0 HA SER A 84 9.705 -2.467 11.270 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.549 -4.820 11.198 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.310 -3.251 11.375 1.00 0.00 H new ATOM 0 HG SER A 84 11.737 -4.185 13.419 1.00 0.00 H new ATOM 1026 N THR A 85 11.355 -3.132 8.490 1.00 0.00 N ATOM 1027 CA THR A 85 11.964 -2.522 7.317 1.00 0.00 C ATOM 1028 C THR A 85 10.945 -1.687 6.553 1.00 0.00 C ATOM 1029 O THR A 85 11.213 -0.542 6.198 1.00 0.00 O ATOM 1030 CB THR A 85 12.546 -3.594 6.403 1.00 0.00 C ATOM 1031 OG1 THR A 85 13.258 -4.563 7.153 1.00 0.00 O ATOM 1032 CG2 THR A 85 13.486 -3.042 5.354 1.00 0.00 C ATOM 0 H THR A 85 11.311 -4.151 8.462 1.00 0.00 H new ATOM 0 HA THR A 85 12.768 -1.868 7.654 1.00 0.00 H new ATOM 0 HB THR A 85 11.688 -4.039 5.899 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.622 -5.243 6.548 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.864 -3.858 4.738 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.952 -2.330 4.725 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.321 -2.539 5.842 1.00 0.00 H new ATOM 1040 N CYS A 86 9.773 -2.267 6.307 1.00 0.00 N ATOM 1041 CA CYS A 86 8.710 -1.575 5.580 1.00 0.00 C ATOM 1042 C CYS A 86 8.347 -0.268 6.274 1.00 0.00 C ATOM 1043 O CYS A 86 8.309 0.786 5.642 1.00 0.00 O ATOM 1044 CB CYS A 86 7.472 -2.467 5.469 1.00 0.00 C ATOM 1045 SG CYS A 86 7.823 -4.164 4.946 1.00 0.00 S ATOM 0 H CYS A 86 9.535 -3.214 6.600 1.00 0.00 H new ATOM 0 HA CYS A 86 9.075 -1.349 4.578 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.970 -2.494 6.436 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.776 -2.017 4.761 1.00 0.00 H new ATOM 0 HG CYS A 86 8.716 -4.685 5.734 1.00 0.00 H new ATOM 1051 N GLN A 87 8.095 -0.339 7.577 1.00 0.00 N ATOM 1052 CA GLN A 87 7.750 0.849 8.348 1.00 0.00 C ATOM 1053 C GLN A 87 8.797 1.935 8.142 1.00 0.00 C ATOM 1054 O GLN A 87 8.468 3.107 7.959 1.00 0.00 O ATOM 1055 CB GLN A 87 7.641 0.506 9.836 1.00 0.00 C ATOM 1056 CG GLN A 87 6.506 -0.451 10.160 1.00 0.00 C ATOM 1057 CD GLN A 87 5.141 0.150 9.888 1.00 0.00 C ATOM 1058 OE1 GLN A 87 4.441 0.577 10.807 1.00 0.00 O ATOM 1059 NE2 GLN A 87 4.754 0.184 8.618 1.00 0.00 N ATOM 0 H GLN A 87 8.123 -1.203 8.119 1.00 0.00 H new ATOM 0 HA GLN A 87 6.785 1.217 8.000 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.581 0.066 10.168 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.502 1.426 10.403 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.623 -1.360 9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.569 -0.741 11.209 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.366 -0.181 7.888 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.845 0.575 8.372 1.00 0.00 H new ATOM 1068 N SER A 88 10.062 1.531 8.169 1.00 0.00 N ATOM 1069 CA SER A 88 11.165 2.458 7.981 1.00 0.00 C ATOM 1070 C SER A 88 11.145 3.061 6.578 1.00 0.00 C ATOM 1071 O SER A 88 11.554 4.205 6.380 1.00 0.00 O ATOM 1072 CB SER A 88 12.499 1.756 8.234 1.00 0.00 C ATOM 1073 OG SER A 88 13.574 2.473 7.653 1.00 0.00 O ATOM 0 H SER A 88 10.347 0.563 8.320 1.00 0.00 H new ATOM 0 HA SER A 88 11.049 3.268 8.701 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.663 1.656 9.307 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.466 0.748 7.822 1.00 0.00 H new ATOM 0 HG SER A 88 14.415 2.003 7.831 1.00 0.00 H new ATOM 1079 N ILE A 89 10.657 2.290 5.607 1.00 0.00 N ATOM 1080 CA ILE A 89 10.580 2.761 4.234 1.00 0.00 C ATOM 1081 C ILE A 89 9.525 3.847 4.117 1.00 0.00 C ATOM 1082 O ILE A 89 9.693 4.812 3.380 1.00 0.00 O ATOM 1083 CB ILE A 89 10.254 1.611 3.257 1.00 0.00 C ATOM 1084 CG1 ILE A 89 11.363 0.558 3.302 1.00 0.00 C ATOM 1085 CG2 ILE A 89 10.079 2.146 1.841 1.00 0.00 C ATOM 1086 CD1 ILE A 89 11.220 -0.531 2.260 1.00 0.00 C ATOM 0 H ILE A 89 10.312 1.341 5.749 1.00 0.00 H new ATOM 0 HA ILE A 89 11.556 3.166 3.966 1.00 0.00 H new ATOM 0 HB ILE A 89 9.317 1.146 3.562 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.325 1.052 3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.376 0.101 4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.850 1.321 1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.262 2.867 1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.000 2.633 1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.044 -1.238 2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.275 -1.053 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.238 -0.087 1.265 1.00 0.00 H new ATOM 1098 N ILE A 90 8.440 3.688 4.864 1.00 0.00 N ATOM 1099 CA ILE A 90 7.360 4.664 4.858 1.00 0.00 C ATOM 1100 C ILE A 90 7.741 5.881 5.687 1.00 0.00 C ATOM 1101 O ILE A 90 7.473 7.020 5.305 1.00 0.00 O ATOM 1102 CB ILE A 90 6.057 4.067 5.417 1.00 0.00 C ATOM 1103 CG1 ILE A 90 5.802 2.691 4.796 1.00 0.00 C ATOM 1104 CG2 ILE A 90 4.894 5.014 5.161 1.00 0.00 C ATOM 1105 CD1 ILE A 90 4.415 2.142 5.066 1.00 0.00 C ATOM 0 H ILE A 90 8.285 2.891 5.482 1.00 0.00 H new ATOM 0 HA ILE A 90 7.195 4.958 3.821 1.00 0.00 H new ATOM 0 HB ILE A 90 6.154 3.938 6.495 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.953 2.756 3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.541 1.988 5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.977 4.581 5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.088 5.969 5.650 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.783 5.172 4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.312 1.165 4.594 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.266 2.043 6.141 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.668 2.823 4.658 1.00 0.00 H new ATOM 1117 N LYS A 91 8.373 5.626 6.828 1.00 0.00 N ATOM 1118 CA LYS A 91 8.803 6.692 7.721 1.00 0.00 C ATOM 1119 C LYS A 91 9.889 7.536 7.063 1.00 0.00 C ATOM 1120 O LYS A 91 9.910 8.759 7.200 1.00 0.00 O ATOM 1121 CB LYS A 91 9.318 6.103 9.037 1.00 0.00 C ATOM 1122 CG LYS A 91 8.401 6.365 10.222 1.00 0.00 C ATOM 1123 CD LYS A 91 7.843 5.072 10.798 1.00 0.00 C ATOM 1124 CE LYS A 91 6.771 4.479 9.899 1.00 0.00 C ATOM 1125 NZ LYS A 91 5.401 4.842 10.355 1.00 0.00 N ATOM 0 H LYS A 91 8.599 4.687 7.155 1.00 0.00 H new ATOM 0 HA LYS A 91 7.947 7.333 7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.446 5.027 8.918 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.302 6.519 9.251 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.950 6.901 10.996 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.579 7.009 9.911 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.651 4.351 10.927 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.426 5.263 11.787 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.919 4.830 8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.872 3.394 9.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.699 4.418 9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.250 4.485 11.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.296 5.877 10.348 1.00 0.00 H new ATOM 1139 N GLY A 92 10.789 6.870 6.344 1.00 0.00 N ATOM 1140 CA GLY A 92 11.866 7.570 5.670 1.00 0.00 C ATOM 1141 C GLY A 92 11.382 8.401 4.497 1.00 0.00 C ATOM 1142 O GLY A 92 12.133 9.207 3.949 1.00 0.00 O ATOM 0 H GLY A 92 10.790 5.858 6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.375 8.218 6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.600 6.845 5.318 1.00 0.00 H new ATOM 1146 N LEU A 93 10.122 8.209 4.112 1.00 0.00 N ATOM 1147 CA LEU A 93 9.544 8.952 2.997 1.00 0.00 C ATOM 1148 C LEU A 93 8.816 10.195 3.494 1.00 0.00 C ATOM 1149 O LEU A 93 7.767 10.567 2.968 1.00 0.00 O ATOM 1150 CB LEU A 93 8.576 8.064 2.214 1.00 0.00 C ATOM 1151 CG LEU A 93 9.208 6.839 1.557 1.00 0.00 C ATOM 1152 CD1 LEU A 93 8.133 5.877 1.080 1.00 0.00 C ATOM 1153 CD2 LEU A 93 10.105 7.257 0.402 1.00 0.00 C ATOM 0 H LEU A 93 9.484 7.547 4.555 1.00 0.00 H new ATOM 0 HA LEU A 93 10.356 9.263 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.788 7.729 2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.099 8.666 1.441 1.00 0.00 H new ATOM 0 HG LEU A 93 9.821 6.327 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.601 5.010 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.532 5.552 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.493 6.378 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.547 6.371 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.515 7.792 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.897 7.907 0.773 1.00 0.00 H new ATOM 1165 N LYS A 94 9.380 10.832 4.513 1.00 0.00 N ATOM 1166 CA LYS A 94 8.791 12.024 5.085 1.00 0.00 C ATOM 1167 C LYS A 94 9.122 13.250 4.248 1.00 0.00 C ATOM 1168 O LYS A 94 8.343 14.197 4.184 1.00 0.00 O ATOM 1169 CB LYS A 94 9.294 12.222 6.515 1.00 0.00 C ATOM 1170 CG LYS A 94 8.269 12.856 7.436 1.00 0.00 C ATOM 1171 CD LYS A 94 8.577 12.560 8.893 1.00 0.00 C ATOM 1172 CE LYS A 94 9.369 13.686 9.535 1.00 0.00 C ATOM 1173 NZ LYS A 94 10.455 13.173 10.416 1.00 0.00 N ATOM 0 H LYS A 94 10.249 10.537 4.958 1.00 0.00 H new ATOM 0 HA LYS A 94 7.709 11.897 5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.590 11.256 6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.187 12.847 6.494 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.253 13.934 7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.275 12.482 7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.646 12.411 9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.141 11.630 8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.801 14.315 8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.697 14.316 10.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.970 13.974 10.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.042 12.593 11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.112 12.593 9.856 1.00 0.00 H new ATOM 1187 N ASN A 95 10.286 13.232 3.611 1.00 0.00 N ATOM 1188 CA ASN A 95 10.711 14.354 2.787 1.00 0.00 C ATOM 1189 C ASN A 95 11.121 13.905 1.387 1.00 0.00 C ATOM 1190 O ASN A 95 12.289 13.994 1.010 1.00 0.00 O ATOM 1191 CB ASN A 95 11.868 15.094 3.461 1.00 0.00 C ATOM 1192 CG ASN A 95 11.589 15.398 4.920 1.00 0.00 C ATOM 1193 OD1 ASN A 95 11.209 16.515 5.272 1.00 0.00 O ATOM 1194 ND2 ASN A 95 11.776 14.402 5.779 1.00 0.00 N ATOM 0 H ASN A 95 10.948 12.457 3.649 1.00 0.00 H new ATOM 0 HA ASN A 95 9.861 15.028 2.683 1.00 0.00 H new ATOM 0 HB2 ASN A 95 12.774 14.492 3.385 1.00 0.00 H new ATOM 0 HB3 ASN A 95 12.059 16.026 2.929 1.00 0.00 H new ATOM 0 HD21 ASN A 95 11.604 14.547 6.774 1.00 0.00 H new ATOM 0 HD22 ASN A 95 12.092 13.492 5.444 1.00 0.00 H new ATOM 1201 N GLN A 96 10.147 13.432 0.617 1.00 0.00 N ATOM 1202 CA GLN A 96 10.401 12.983 -0.750 1.00 0.00 C ATOM 1203 C GLN A 96 9.555 13.777 -1.736 1.00 0.00 C ATOM 1204 O GLN A 96 10.006 14.109 -2.834 1.00 0.00 O ATOM 1205 CB GLN A 96 10.089 11.491 -0.904 1.00 0.00 C ATOM 1206 CG GLN A 96 10.316 10.675 0.356 1.00 0.00 C ATOM 1207 CD GLN A 96 11.786 10.407 0.620 1.00 0.00 C ATOM 1208 OE1 GLN A 96 12.510 9.938 -0.257 1.00 0.00 O ATOM 1209 NE2 GLN A 96 12.233 10.705 1.835 1.00 0.00 N ATOM 0 H GLN A 96 9.175 13.349 0.914 1.00 0.00 H new ATOM 0 HA GLN A 96 11.457 13.147 -0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.050 11.379 -1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.706 11.083 -1.704 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.888 11.203 1.208 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.787 9.726 0.270 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.597 11.092 2.532 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.213 10.546 2.071 1.00 0.00 H new ATOM 1218 N SER A 97 8.322 14.074 -1.338 1.00 0.00 N ATOM 1219 CA SER A 97 7.393 14.826 -2.178 1.00 0.00 C ATOM 1220 C SER A 97 6.839 13.960 -3.311 1.00 0.00 C ATOM 1221 O SER A 97 6.080 14.443 -4.150 1.00 0.00 O ATOM 1222 CB SER A 97 8.076 16.073 -2.753 1.00 0.00 C ATOM 1223 OG SER A 97 7.393 17.251 -2.366 1.00 0.00 O ATOM 0 H SER A 97 7.940 13.803 -0.432 1.00 0.00 H new ATOM 0 HA SER A 97 6.558 15.137 -1.550 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.109 16.118 -2.408 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.106 16.007 -3.841 1.00 0.00 H new ATOM 0 HG SER A 97 6.442 17.165 -2.585 1.00 0.00 H new ATOM 1229 N ARG A 98 7.216 12.682 -3.332 1.00 0.00 N ATOM 1230 CA ARG A 98 6.749 11.762 -4.364 1.00 0.00 C ATOM 1231 C ARG A 98 7.049 10.318 -3.965 1.00 0.00 C ATOM 1232 O ARG A 98 8.062 10.046 -3.324 1.00 0.00 O ATOM 1233 CB ARG A 98 7.412 12.088 -5.706 1.00 0.00 C ATOM 1234 CG ARG A 98 6.462 12.679 -6.734 1.00 0.00 C ATOM 1235 CD ARG A 98 7.194 13.561 -7.731 1.00 0.00 C ATOM 1236 NE ARG A 98 6.421 14.750 -8.079 1.00 0.00 N ATOM 1237 CZ ARG A 98 6.447 15.336 -9.276 1.00 0.00 C ATOM 1238 NH1 ARG A 98 7.225 14.861 -10.242 1.00 0.00 N ATOM 1239 NH2 ARG A 98 5.698 16.406 -9.505 1.00 0.00 N ATOM 0 H ARG A 98 7.843 12.262 -2.646 1.00 0.00 H new ATOM 0 HA ARG A 98 5.670 11.878 -4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.229 12.789 -5.536 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.852 11.178 -6.113 1.00 0.00 H new ATOM 0 HG2 ARG A 98 5.953 11.874 -7.265 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.694 13.263 -6.227 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.154 13.862 -7.312 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.406 12.989 -8.634 1.00 0.00 H new ATOM 0 HE ARG A 98 5.823 15.158 -7.360 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.808 14.042 -10.071 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.239 15.315 -11.155 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.103 16.780 -8.766 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.717 16.855 -10.420 1.00 0.00 H new ATOM 1253 N VAL A 99 6.162 9.397 -4.336 1.00 0.00 N ATOM 1254 CA VAL A 99 6.351 7.990 -3.996 1.00 0.00 C ATOM 1255 C VAL A 99 5.950 7.061 -5.136 1.00 0.00 C ATOM 1256 O VAL A 99 4.768 6.805 -5.357 1.00 0.00 O ATOM 1257 CB VAL A 99 5.556 7.601 -2.733 1.00 0.00 C ATOM 1258 CG1 VAL A 99 6.071 6.287 -2.161 1.00 0.00 C ATOM 1259 CG2 VAL A 99 5.629 8.708 -1.688 1.00 0.00 C ATOM 0 H VAL A 99 5.314 9.597 -4.867 1.00 0.00 H new ATOM 0 HA VAL A 99 7.418 7.870 -3.806 1.00 0.00 H new ATOM 0 HB VAL A 99 4.511 7.467 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.498 6.029 -1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 99 5.961 5.498 -2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.123 6.392 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.062 8.413 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.669 8.878 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.208 9.625 -2.100 1.00 0.00 H new ATOM 1269 N LYS A 100 6.953 6.534 -5.832 1.00 0.00 N ATOM 1270 CA LYS A 100 6.725 5.599 -6.930 1.00 0.00 C ATOM 1271 C LYS A 100 6.758 4.182 -6.387 1.00 0.00 C ATOM 1272 O LYS A 100 7.753 3.471 -6.530 1.00 0.00 O ATOM 1273 CB LYS A 100 7.797 5.761 -8.010 1.00 0.00 C ATOM 1274 CG LYS A 100 8.146 7.208 -8.315 1.00 0.00 C ATOM 1275 CD LYS A 100 7.937 7.538 -9.784 1.00 0.00 C ATOM 1276 CE LYS A 100 6.518 7.227 -10.234 1.00 0.00 C ATOM 1277 NZ LYS A 100 6.486 6.584 -11.577 1.00 0.00 N ATOM 0 H LYS A 100 7.936 6.740 -5.654 1.00 0.00 H new ATOM 0 HA LYS A 100 5.753 5.806 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.700 5.238 -7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.453 5.279 -8.925 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.531 7.868 -7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.185 7.397 -8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.149 8.594 -9.954 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.643 6.969 -10.389 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.043 6.569 -9.506 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.936 8.148 -10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.500 6.389 -11.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.916 7.221 -12.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.020 5.692 -11.548 1.00 0.00 H new ATOM 1291 N LEU A 101 5.676 3.788 -5.738 1.00 0.00 N ATOM 1292 CA LEU A 101 5.592 2.467 -5.140 1.00 0.00 C ATOM 1293 C LEU A 101 4.683 1.539 -5.936 1.00 0.00 C ATOM 1294 O LEU A 101 3.525 1.858 -6.213 1.00 0.00 O ATOM 1295 CB LEU A 101 5.126 2.575 -3.687 1.00 0.00 C ATOM 1296 CG LEU A 101 3.695 3.045 -3.490 1.00 0.00 C ATOM 1297 CD1 LEU A 101 3.236 2.747 -2.070 1.00 0.00 C ATOM 1298 CD2 LEU A 101 3.565 4.533 -3.793 1.00 0.00 C ATOM 0 H LEU A 101 4.844 4.364 -5.612 1.00 0.00 H new ATOM 0 HA LEU A 101 6.590 2.028 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.237 1.599 -3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.790 3.261 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 101 3.056 2.502 -4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.209 3.088 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.287 1.673 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.883 3.266 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.531 4.846 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.214 5.098 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.856 4.721 -4.827 1.00 0.00 H new ATOM 1310 N ASN A 102 5.226 0.380 -6.295 1.00 0.00 N ATOM 1311 CA ASN A 102 4.482 -0.615 -7.047 1.00 0.00 C ATOM 1312 C ASN A 102 3.748 -1.541 -6.088 1.00 0.00 C ATOM 1313 O ASN A 102 4.358 -2.145 -5.208 1.00 0.00 O ATOM 1314 CB ASN A 102 5.423 -1.424 -7.943 1.00 0.00 C ATOM 1315 CG ASN A 102 5.502 -0.868 -9.352 1.00 0.00 C ATOM 1316 OD1 ASN A 102 6.553 -0.404 -9.791 1.00 0.00 O ATOM 1317 ND2 ASN A 102 4.384 -0.913 -10.068 1.00 0.00 N ATOM 0 H ASN A 102 6.184 0.109 -6.074 1.00 0.00 H new ATOM 0 HA ASN A 102 3.756 -0.106 -7.681 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.420 -1.433 -7.503 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.082 -2.459 -7.982 1.00 0.00 H new ATOM 0 HD21 ASN A 102 4.375 -0.554 -11.023 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.535 -1.307 -9.663 1.00 0.00 H new ATOM 1324 N ILE A 103 2.434 -1.636 -6.245 1.00 0.00 N ATOM 1325 CA ILE A 103 1.629 -2.476 -5.368 1.00 0.00 C ATOM 1326 C ILE A 103 0.847 -3.530 -6.150 1.00 0.00 C ATOM 1327 O ILE A 103 0.726 -3.448 -7.374 1.00 0.00 O ATOM 1328 CB ILE A 103 0.654 -1.622 -4.535 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -0.392 -0.978 -5.431 1.00 0.00 C ATOM 1330 CG2 ILE A 103 1.412 -0.551 -3.772 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -1.730 -0.826 -4.765 1.00 0.00 C ATOM 0 H ILE A 103 1.906 -1.145 -6.967 1.00 0.00 H new ATOM 0 HA ILE A 103 2.320 -2.990 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 103 0.150 -2.275 -3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.037 0.003 -5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.509 -1.579 -6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.711 0.045 -3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.133 -1.022 -3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.938 0.094 -4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.431 -0.360 -5.458 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.105 -1.807 -4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.626 -0.200 -3.879 1.00 0.00 H new ATOM 1343 N VAL A 104 0.320 -4.516 -5.429 1.00 0.00 N ATOM 1344 CA VAL A 104 -0.451 -5.593 -6.037 1.00 0.00 C ATOM 1345 C VAL A 104 -1.850 -5.672 -5.430 1.00 0.00 C ATOM 1346 O VAL A 104 -2.044 -5.375 -4.248 1.00 0.00 O ATOM 1347 CB VAL A 104 0.256 -6.952 -5.860 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -0.606 -8.089 -6.386 1.00 0.00 C ATOM 1349 CG2 VAL A 104 1.610 -6.942 -6.550 1.00 0.00 C ATOM 0 H VAL A 104 0.415 -4.590 -4.416 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.533 -5.371 -7.101 1.00 0.00 H new ATOM 0 HB VAL A 104 0.413 -7.115 -4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.083 -9.036 -6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.549 -8.113 -5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.804 -7.935 -7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.095 -7.909 -6.415 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.475 -6.750 -7.614 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.233 -6.160 -6.117 1.00 0.00 H new