USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 651 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot -116:sc= 0.648 USER MOD Set 1.2: A 91 ASN : amide:sc= 0.597 K(o=1.2,f=-1.7!) USER MOD Set 2.1: A 86 ASN : amide:sc= -1.44! C(o=-1.4!,f=-14!) USER MOD Set 2.2: A 89 SER OG : rot -170:sc= 0.0706 USER MOD Set 3.1: A 82 SER OG : rot 12:sc= 1.2 USER MOD Set 3.2: A 85 THR OG1 : rot -169:sc= 1.38 USER MOD Set 4.1: A 36 ASN : amide:sc= -0.0424 X(o=-0.019,f=0) USER MOD Set 4.2: A 37 SER OG : rot 180:sc= 0.0236 USER MOD Set 5.1: A 1 MET N :NH3+ 178:sc= 0.929 (180deg=0) USER MOD Set 5.2: A 5 GLN : amide:sc= 1.99 K(o=2.9,f=-2.4) USER MOD Single : A 1 MET CE :methyl -137:sc= -0.814 (180deg=-3.52!) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 9 ASN : amide:sc= -12! C(o=-12!,f=-19!) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0464 F(o=-1.5!,f=-0.046) USER MOD Single : A 18 GLN : amide:sc= -0.325 K(o=-0.32,f=-1.7!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 74:sc= 0.36 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0762 K(o=-0.076,f=-1.4!) USER MOD Single : A 38 SER OG : rot 140:sc= -0.815 USER MOD Single : A 40 THR OG1 : rot -65:sc= 1.37 USER MOD Single : A 49 SER OG : rot 7:sc= 1.39 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -3.4! C(o=-3.4!,f=-12!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 65 ASN : amide:sc= 0.944 K(o=0.94,f=-6.6!) USER MOD Single : A 72 LYS NZ :NH3+ -145:sc= 0.171 (180deg=-1.01) USER MOD Single : A 76 ASN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 157:sc= 1.25 (180deg=0.875) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 84 SER OG : rot -40:sc= 0.255 USER MOD Single : A 88 ASN : amide:sc= -0.082 X(o=-0.082,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.503 0.714 6.256 1.00 1.70 N ATOM 2 CA MET A 1 12.328 0.524 7.140 1.00 1.61 C ATOM 3 C MET A 1 11.399 -0.545 6.583 1.00 0.88 C ATOM 4 O MET A 1 11.780 -1.298 5.693 1.00 1.16 O ATOM 5 CB MET A 1 11.570 1.841 7.313 1.00 2.50 C ATOM 6 CG MET A 1 11.981 2.624 8.546 1.00 2.77 C ATOM 7 SD MET A 1 11.658 1.721 10.071 1.00 2.91 S ATOM 8 CE MET A 1 9.886 1.476 9.959 1.00 2.61 C ATOM 0 H1 MET A 1 14.106 1.471 6.637 1.00 1.70 H new ATOM 0 H2 MET A 1 14.048 -0.171 6.207 1.00 1.70 H new ATOM 0 H3 MET A 1 13.181 0.975 5.302 1.00 1.70 H new ATOM 0 HA MET A 1 12.688 0.195 8.115 1.00 1.61 H new ATOM 0 HB2 MET A 1 11.729 2.460 6.430 1.00 2.50 H new ATOM 0 HB3 MET A 1 10.502 1.631 7.366 1.00 2.50 H new ATOM 0 HG2 MET A 1 13.043 2.861 8.485 1.00 2.77 H new ATOM 0 HG3 MET A 1 11.443 3.572 8.567 1.00 2.77 H new ATOM 0 HE1 MET A 1 9.430 1.668 10.930 1.00 2.61 H new ATOM 0 HE2 MET A 1 9.470 2.161 9.221 1.00 2.61 H new ATOM 0 HE3 MET A 1 9.679 0.449 9.658 1.00 2.61 H new ATOM 20 N THR A 2 10.168 -0.588 7.093 1.00 0.65 N ATOM 21 CA THR A 2 9.233 -1.655 6.750 1.00 1.13 C ATOM 22 C THR A 2 7.774 -1.227 6.963 1.00 1.10 C ATOM 23 O THR A 2 7.126 -0.735 6.047 1.00 1.86 O ATOM 24 CB THR A 2 9.504 -2.934 7.575 1.00 1.75 C ATOM 25 OG1 THR A 2 10.852 -3.379 7.380 1.00 2.36 O ATOM 26 CG2 THR A 2 8.541 -4.038 7.173 1.00 2.63 C ATOM 0 H THR A 2 9.797 0.104 7.744 1.00 0.65 H new ATOM 0 HA THR A 2 9.390 -1.868 5.692 1.00 1.13 H new ATOM 0 HB THR A 2 9.356 -2.697 8.629 1.00 1.75 H new ATOM 0 HG1 THR A 2 11.009 -4.188 7.910 1.00 2.36 H new ATOM 0 HG21 THR A 2 8.745 -4.931 7.763 1.00 2.63 H new ATOM 0 HG22 THR A 2 7.517 -3.711 7.352 1.00 2.63 H new ATOM 0 HG23 THR A 2 8.669 -4.265 6.115 1.00 2.63 H new ATOM 34 N CYS A 3 7.289 -1.384 8.191 1.00 0.81 N ATOM 35 CA CYS A 3 5.879 -1.183 8.525 1.00 0.69 C ATOM 36 C CYS A 3 5.611 0.292 8.818 1.00 0.65 C ATOM 37 O CYS A 3 4.503 0.788 8.633 1.00 0.79 O ATOM 38 CB CYS A 3 5.534 -2.056 9.734 1.00 0.76 C ATOM 39 SG CYS A 3 3.774 -2.529 9.897 1.00 0.70 S ATOM 0 H CYS A 3 7.865 -1.656 8.988 1.00 0.81 H new ATOM 0 HA CYS A 3 5.250 -1.471 7.683 1.00 0.69 H new ATOM 0 HB2 CYS A 3 6.132 -2.966 9.684 1.00 0.76 H new ATOM 0 HB3 CYS A 3 5.834 -1.526 10.638 1.00 0.76 H new ATOM 44 N GLY A 4 6.632 0.990 9.285 1.00 0.57 N ATOM 45 CA GLY A 4 6.552 2.435 9.369 1.00 0.56 C ATOM 46 C GLY A 4 6.906 3.063 8.041 1.00 0.51 C ATOM 47 O GLY A 4 6.572 4.211 7.768 1.00 0.53 O ATOM 0 H GLY A 4 7.512 0.586 9.607 1.00 0.57 H new ATOM 0 HA2 GLY A 4 5.545 2.733 9.662 1.00 0.56 H new ATOM 0 HA3 GLY A 4 7.229 2.798 10.142 1.00 0.56 H new ATOM 51 N GLN A 5 7.570 2.273 7.207 1.00 0.52 N ATOM 52 CA GLN A 5 7.964 2.695 5.869 1.00 0.51 C ATOM 53 C GLN A 5 6.742 2.709 4.967 1.00 0.46 C ATOM 54 O GLN A 5 6.432 3.700 4.304 1.00 0.52 O ATOM 55 CB GLN A 5 9.002 1.716 5.318 1.00 0.60 C ATOM 56 CG GLN A 5 9.664 2.180 4.045 1.00 0.62 C ATOM 57 CD GLN A 5 10.780 1.255 3.597 1.00 0.81 C ATOM 58 OE1 GLN A 5 11.931 1.425 3.998 1.00 1.25 O ATOM 59 NE2 GLN A 5 10.451 0.266 2.776 1.00 0.96 N ATOM 0 H GLN A 5 7.851 1.320 7.440 1.00 0.52 H new ATOM 0 HA GLN A 5 8.395 3.696 5.908 1.00 0.51 H new ATOM 0 HB2 GLN A 5 9.768 1.550 6.075 1.00 0.60 H new ATOM 0 HB3 GLN A 5 8.520 0.755 5.136 1.00 0.60 H new ATOM 0 HG2 GLN A 5 8.916 2.250 3.255 1.00 0.62 H new ATOM 0 HG3 GLN A 5 10.065 3.182 4.193 1.00 0.62 H new ATOM 0 HE21 GLN A 5 9.485 0.160 2.467 1.00 0.96 H new ATOM 0 HE22 GLN A 5 11.164 -0.388 2.454 1.00 0.96 H new ATOM 68 N VAL A 6 6.058 1.582 4.977 1.00 0.43 N ATOM 69 CA VAL A 6 4.829 1.382 4.232 1.00 0.44 C ATOM 70 C VAL A 6 3.733 2.335 4.715 1.00 0.44 C ATOM 71 O VAL A 6 2.862 2.737 3.949 1.00 0.49 O ATOM 72 CB VAL A 6 4.375 -0.078 4.423 1.00 0.49 C ATOM 73 CG1 VAL A 6 4.079 -0.341 5.875 1.00 1.02 C ATOM 74 CG2 VAL A 6 3.170 -0.429 3.592 1.00 1.12 C ATOM 0 H VAL A 6 6.346 0.763 5.513 1.00 0.43 H new ATOM 0 HA VAL A 6 5.010 1.589 3.177 1.00 0.44 H new ATOM 0 HB VAL A 6 5.197 -0.709 4.085 1.00 0.49 H new ATOM 0 HG11 VAL A 6 3.759 -1.375 6.000 1.00 1.02 H new ATOM 0 HG12 VAL A 6 4.977 -0.165 6.467 1.00 1.02 H new ATOM 0 HG13 VAL A 6 3.286 0.327 6.212 1.00 1.02 H new ATOM 0 HG21 VAL A 6 2.897 -1.469 3.768 1.00 1.12 H new ATOM 0 HG22 VAL A 6 2.337 0.217 3.869 1.00 1.12 H new ATOM 0 HG23 VAL A 6 3.403 -0.289 2.536 1.00 1.12 H new ATOM 84 N GLN A 7 3.806 2.710 5.990 1.00 0.47 N ATOM 85 CA GLN A 7 2.800 3.561 6.603 1.00 0.54 C ATOM 86 C GLN A 7 2.758 4.924 5.926 1.00 0.58 C ATOM 87 O GLN A 7 1.693 5.515 5.791 1.00 0.70 O ATOM 88 CB GLN A 7 3.078 3.714 8.096 1.00 0.66 C ATOM 89 CG GLN A 7 2.015 4.501 8.842 1.00 0.98 C ATOM 90 CD GLN A 7 2.276 4.547 10.332 1.00 1.27 C ATOM 91 OE1 GLN A 7 3.422 4.491 10.772 1.00 1.97 O ATOM 92 NE2 GLN A 7 1.219 4.644 11.119 1.00 1.69 N ATOM 0 H GLN A 7 4.559 2.433 6.619 1.00 0.47 H new ATOM 0 HA GLN A 7 1.826 3.089 6.475 1.00 0.54 H new ATOM 0 HB2 GLN A 7 3.164 2.724 8.543 1.00 0.66 H new ATOM 0 HB3 GLN A 7 4.041 4.207 8.228 1.00 0.66 H new ATOM 0 HG2 GLN A 7 1.977 5.517 8.450 1.00 0.98 H new ATOM 0 HG3 GLN A 7 1.039 4.052 8.660 1.00 0.98 H new ATOM 0 HE21 GLN A 7 0.284 4.688 10.714 1.00 1.69 H new ATOM 0 HE22 GLN A 7 1.338 4.675 12.132 1.00 1.69 H new ATOM 101 N GLY A 8 3.917 5.400 5.477 1.00 0.60 N ATOM 102 CA GLY A 8 3.984 6.675 4.778 1.00 0.70 C ATOM 103 C GLY A 8 3.106 6.698 3.540 1.00 0.66 C ATOM 104 O GLY A 8 2.660 7.755 3.100 1.00 0.82 O ATOM 0 H GLY A 8 4.813 4.925 5.585 1.00 0.60 H new ATOM 0 HA2 GLY A 8 3.678 7.474 5.453 1.00 0.70 H new ATOM 0 HA3 GLY A 8 5.016 6.877 4.493 1.00 0.70 H new ATOM 108 N ASN A 9 2.866 5.518 2.987 1.00 0.58 N ATOM 109 CA ASN A 9 1.974 5.353 1.846 1.00 0.63 C ATOM 110 C ASN A 9 0.528 5.585 2.281 1.00 0.62 C ATOM 111 O ASN A 9 -0.135 6.521 1.830 1.00 0.78 O ATOM 112 CB ASN A 9 2.159 3.932 1.278 1.00 0.75 C ATOM 113 CG ASN A 9 1.194 3.553 0.161 1.00 1.30 C ATOM 114 OD1 ASN A 9 0.065 4.020 0.091 1.00 1.86 O ATOM 115 ND2 ASN A 9 1.640 2.668 -0.715 1.00 1.86 N ATOM 0 H ASN A 9 3.284 4.647 3.316 1.00 0.58 H new ATOM 0 HA ASN A 9 2.212 6.081 1.071 1.00 0.63 H new ATOM 0 HB2 ASN A 9 3.179 3.836 0.905 1.00 0.75 H new ATOM 0 HB3 ASN A 9 2.049 3.215 2.091 1.00 0.75 H new ATOM 0 HD21 ASN A 9 1.037 2.356 -1.477 1.00 1.86 H new ATOM 0 HD22 ASN A 9 2.587 2.298 -0.629 1.00 1.86 H new ATOM 122 N LEU A 10 0.068 4.751 3.200 1.00 0.56 N ATOM 123 CA LEU A 10 -1.335 4.728 3.585 1.00 0.66 C ATOM 124 C LEU A 10 -1.718 5.929 4.449 1.00 0.65 C ATOM 125 O LEU A 10 -2.876 6.320 4.479 1.00 0.72 O ATOM 126 CB LEU A 10 -1.662 3.430 4.338 1.00 0.89 C ATOM 127 CG LEU A 10 -1.580 2.126 3.522 1.00 1.00 C ATOM 128 CD1 LEU A 10 -2.328 2.256 2.207 1.00 1.45 C ATOM 129 CD2 LEU A 10 -0.135 1.714 3.277 1.00 1.73 C ATOM 0 H LEU A 10 0.650 4.076 3.696 1.00 0.56 H new ATOM 0 HA LEU A 10 -1.917 4.779 2.665 1.00 0.66 H new ATOM 0 HB2 LEU A 10 -0.982 3.346 5.186 1.00 0.89 H new ATOM 0 HB3 LEU A 10 -2.670 3.516 4.745 1.00 0.89 H new ATOM 0 HG LEU A 10 -2.058 1.343 4.111 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -2.253 1.321 1.652 1.00 1.45 H new ATOM 0 HD12 LEU A 10 -3.377 2.477 2.405 1.00 1.45 H new ATOM 0 HD13 LEU A 10 -1.892 3.063 1.619 1.00 1.45 H new ATOM 0 HD21 LEU A 10 -0.113 0.790 2.699 1.00 1.73 H new ATOM 0 HD22 LEU A 10 0.379 2.500 2.724 1.00 1.73 H new ATOM 0 HD23 LEU A 10 0.365 1.556 4.232 1.00 1.73 H new ATOM 141 N ALA A 11 -0.748 6.523 5.130 1.00 0.62 N ATOM 142 CA ALA A 11 -1.025 7.584 6.100 1.00 0.69 C ATOM 143 C ALA A 11 -1.577 8.852 5.456 1.00 0.63 C ATOM 144 O ALA A 11 -2.157 9.694 6.139 1.00 0.72 O ATOM 145 CB ALA A 11 0.227 7.911 6.894 1.00 0.77 C ATOM 0 H ALA A 11 0.240 6.291 5.032 1.00 0.62 H new ATOM 0 HA ALA A 11 -1.798 7.202 6.766 1.00 0.69 H new ATOM 0 HB1 ALA A 11 0.007 8.701 7.611 1.00 0.77 H new ATOM 0 HB2 ALA A 11 0.563 7.021 7.426 1.00 0.77 H new ATOM 0 HB3 ALA A 11 1.011 8.246 6.215 1.00 0.77 H new ATOM 151 N GLN A 12 -1.399 9.010 4.155 1.00 0.56 N ATOM 152 CA GLN A 12 -1.869 10.223 3.493 1.00 0.53 C ATOM 153 C GLN A 12 -3.220 10.000 2.855 1.00 0.52 C ATOM 154 O GLN A 12 -3.961 10.946 2.594 1.00 0.60 O ATOM 155 CB GLN A 12 -0.876 10.696 2.431 1.00 0.56 C ATOM 156 CG GLN A 12 0.578 10.579 2.847 1.00 0.52 C ATOM 157 CD GLN A 12 1.533 11.318 1.927 1.00 1.30 C ATOM 158 OE1 GLN A 12 1.103 12.454 1.402 1.00 2.18 O flip ATOM 159 NE2 GLN A 12 2.663 10.886 1.715 1.00 1.88 N flip ATOM 0 H GLN A 12 -0.943 8.332 3.544 1.00 0.56 H new ATOM 0 HA GLN A 12 -1.958 10.995 4.258 1.00 0.53 H new ATOM 0 HB2 GLN A 12 -1.030 10.116 1.521 1.00 0.56 H new ATOM 0 HB3 GLN A 12 -1.090 11.736 2.186 1.00 0.56 H new ATOM 0 HG2 GLN A 12 0.690 10.966 3.860 1.00 0.52 H new ATOM 0 HG3 GLN A 12 0.856 9.525 2.875 1.00 0.52 H new ATOM 0 HE21 GLN A 12 2.960 10.006 2.137 1.00 1.88 H new ATOM 0 HE22 GLN A 12 3.304 11.407 1.117 1.00 1.88 H new ATOM 168 N CYS A 13 -3.536 8.754 2.604 1.00 0.52 N ATOM 169 CA CYS A 13 -4.815 8.408 2.030 1.00 0.56 C ATOM 170 C CYS A 13 -5.712 7.775 3.067 1.00 0.53 C ATOM 171 O CYS A 13 -6.859 7.472 2.782 1.00 0.56 O ATOM 172 CB CYS A 13 -4.629 7.471 0.848 1.00 0.69 C ATOM 173 SG CYS A 13 -4.433 8.339 -0.730 1.00 1.23 S ATOM 0 H CYS A 13 -2.924 7.959 2.788 1.00 0.52 H new ATOM 0 HA CYS A 13 -5.291 9.323 1.678 1.00 0.56 H new ATOM 0 HB2 CYS A 13 -3.753 6.847 1.023 1.00 0.69 H new ATOM 0 HB3 CYS A 13 -5.488 6.804 0.783 1.00 0.69 H new ATOM 178 N ILE A 14 -5.183 7.603 4.273 1.00 0.58 N ATOM 179 CA ILE A 14 -5.895 6.954 5.360 1.00 0.67 C ATOM 180 C ILE A 14 -7.241 7.628 5.631 1.00 0.67 C ATOM 181 O ILE A 14 -8.186 6.975 6.075 1.00 0.77 O ATOM 182 CB ILE A 14 -5.041 6.955 6.647 1.00 0.80 C ATOM 183 CG1 ILE A 14 -5.582 5.922 7.624 1.00 0.98 C ATOM 184 CG2 ILE A 14 -5.004 8.344 7.280 1.00 1.04 C ATOM 185 CD1 ILE A 14 -4.760 5.778 8.888 1.00 1.11 C ATOM 0 H ILE A 14 -4.244 7.912 4.522 1.00 0.58 H new ATOM 0 HA ILE A 14 -6.084 5.924 5.056 1.00 0.67 H new ATOM 0 HB ILE A 14 -4.016 6.688 6.388 1.00 0.80 H new ATOM 0 HG12 ILE A 14 -6.602 6.193 7.896 1.00 0.98 H new ATOM 0 HG13 ILE A 14 -5.632 4.955 7.123 1.00 0.98 H new ATOM 0 HG21 ILE A 14 -4.396 8.316 8.184 1.00 1.04 H new ATOM 0 HG22 ILE A 14 -4.572 9.054 6.575 1.00 1.04 H new ATOM 0 HG23 ILE A 14 -6.017 8.655 7.534 1.00 1.04 H new ATOM 0 HD11 ILE A 14 -5.212 5.023 9.532 1.00 1.11 H new ATOM 0 HD12 ILE A 14 -3.745 5.475 8.630 1.00 1.11 H new ATOM 0 HD13 ILE A 14 -4.731 6.732 9.414 1.00 1.11 H new ATOM 197 N GLY A 15 -7.326 8.930 5.354 1.00 0.66 N ATOM 198 CA GLY A 15 -8.594 9.629 5.504 1.00 0.76 C ATOM 199 C GLY A 15 -9.681 9.036 4.627 1.00 0.86 C ATOM 200 O GLY A 15 -10.832 8.893 5.038 1.00 1.45 O ATOM 0 H GLY A 15 -6.549 9.507 5.032 1.00 0.66 H new ATOM 0 HA2 GLY A 15 -8.908 9.589 6.547 1.00 0.76 H new ATOM 0 HA3 GLY A 15 -8.459 10.681 5.252 1.00 0.76 H new ATOM 204 N PHE A 16 -9.293 8.670 3.424 1.00 0.61 N ATOM 205 CA PHE A 16 -10.176 8.024 2.465 1.00 0.60 C ATOM 206 C PHE A 16 -10.149 6.514 2.668 1.00 0.60 C ATOM 207 O PHE A 16 -11.142 5.819 2.485 1.00 0.69 O ATOM 208 CB PHE A 16 -9.690 8.390 1.066 1.00 0.59 C ATOM 209 CG PHE A 16 -10.109 7.453 -0.039 1.00 0.62 C ATOM 210 CD1 PHE A 16 -9.314 6.366 -0.386 1.00 0.71 C ATOM 211 CD2 PHE A 16 -11.281 7.668 -0.743 1.00 0.73 C ATOM 212 CE1 PHE A 16 -9.685 5.518 -1.410 1.00 0.85 C ATOM 213 CE2 PHE A 16 -11.653 6.825 -1.772 1.00 0.86 C ATOM 214 CZ PHE A 16 -10.855 5.747 -2.104 1.00 0.91 C ATOM 0 H PHE A 16 -8.345 8.813 3.076 1.00 0.61 H new ATOM 0 HA PHE A 16 -11.204 8.359 2.601 1.00 0.60 H new ATOM 0 HB2 PHE A 16 -10.052 9.390 0.826 1.00 0.59 H new ATOM 0 HB3 PHE A 16 -8.601 8.440 1.081 1.00 0.59 H new ATOM 0 HD1 PHE A 16 -8.396 6.183 0.152 1.00 0.71 H new ATOM 0 HD2 PHE A 16 -11.912 8.505 -0.485 1.00 0.73 H new ATOM 0 HE1 PHE A 16 -9.060 4.676 -1.668 1.00 0.85 H new ATOM 0 HE2 PHE A 16 -12.567 7.008 -2.317 1.00 0.86 H new ATOM 0 HZ PHE A 16 -11.147 5.085 -2.906 1.00 0.91 H new ATOM 224 N LEU A 17 -8.982 6.047 3.050 1.00 0.56 N ATOM 225 CA LEU A 17 -8.688 4.641 3.255 1.00 0.67 C ATOM 226 C LEU A 17 -9.620 4.026 4.293 1.00 0.79 C ATOM 227 O LEU A 17 -10.227 2.982 4.070 1.00 0.87 O ATOM 228 CB LEU A 17 -7.248 4.548 3.749 1.00 0.74 C ATOM 229 CG LEU A 17 -6.511 3.262 3.449 1.00 0.79 C ATOM 230 CD1 LEU A 17 -6.331 3.088 1.946 1.00 0.96 C ATOM 231 CD2 LEU A 17 -5.169 3.250 4.159 1.00 1.43 C ATOM 0 H LEU A 17 -8.183 6.653 3.233 1.00 0.56 H new ATOM 0 HA LEU A 17 -8.829 4.096 2.322 1.00 0.67 H new ATOM 0 HB2 LEU A 17 -6.684 5.373 3.314 1.00 0.74 H new ATOM 0 HB3 LEU A 17 -7.248 4.697 4.829 1.00 0.74 H new ATOM 0 HG LEU A 17 -7.103 2.424 3.818 1.00 0.79 H new ATOM 0 HD11 LEU A 17 -5.799 2.157 1.749 1.00 0.96 H new ATOM 0 HD12 LEU A 17 -7.308 3.057 1.464 1.00 0.96 H new ATOM 0 HD13 LEU A 17 -5.757 3.925 1.549 1.00 0.96 H new ATOM 0 HD21 LEU A 17 -4.647 2.319 3.936 1.00 1.43 H new ATOM 0 HD22 LEU A 17 -4.569 4.093 3.817 1.00 1.43 H new ATOM 0 HD23 LEU A 17 -5.326 3.329 5.235 1.00 1.43 H new ATOM 243 N GLN A 18 -9.725 4.699 5.426 1.00 0.87 N ATOM 244 CA GLN A 18 -10.506 4.215 6.543 1.00 1.07 C ATOM 245 C GLN A 18 -11.938 4.734 6.452 1.00 1.09 C ATOM 246 O GLN A 18 -12.893 3.963 6.511 1.00 1.20 O ATOM 247 CB GLN A 18 -9.848 4.676 7.846 1.00 1.25 C ATOM 248 CG GLN A 18 -10.744 4.541 9.056 1.00 1.08 C ATOM 249 CD GLN A 18 -10.108 5.078 10.320 1.00 1.33 C ATOM 250 OE1 GLN A 18 -9.424 4.356 11.040 1.00 1.73 O ATOM 251 NE2 GLN A 18 -10.334 6.350 10.603 1.00 2.00 N ATOM 0 H GLN A 18 -9.270 5.596 5.594 1.00 0.87 H new ATOM 0 HA GLN A 18 -10.541 3.126 6.521 1.00 1.07 H new ATOM 0 HB2 GLN A 18 -8.940 4.096 8.010 1.00 1.25 H new ATOM 0 HB3 GLN A 18 -9.546 5.718 7.742 1.00 1.25 H new ATOM 0 HG2 GLN A 18 -11.678 5.071 8.871 1.00 1.08 H new ATOM 0 HG3 GLN A 18 -10.997 3.490 9.200 1.00 1.08 H new ATOM 0 HE21 GLN A 18 -10.908 6.917 9.979 1.00 2.00 H new ATOM 0 HE22 GLN A 18 -9.934 6.764 11.445 1.00 2.00 H new ATOM 260 N LYS A 19 -12.073 6.044 6.287 1.00 1.06 N ATOM 261 CA LYS A 19 -13.382 6.682 6.246 1.00 1.21 C ATOM 262 C LYS A 19 -13.869 6.824 4.806 1.00 1.34 C ATOM 263 O LYS A 19 -14.806 6.143 4.382 1.00 2.08 O ATOM 264 CB LYS A 19 -13.311 8.057 6.927 1.00 1.41 C ATOM 265 CG LYS A 19 -14.591 8.886 6.845 1.00 1.98 C ATOM 266 CD LYS A 19 -15.671 8.405 7.808 1.00 2.69 C ATOM 267 CE LYS A 19 -16.322 7.111 7.349 1.00 3.29 C ATOM 268 NZ LYS A 19 -17.434 6.705 8.246 1.00 4.09 N ATOM 0 H LYS A 19 -11.289 6.687 6.179 1.00 1.06 H new ATOM 0 HA LYS A 19 -14.094 6.056 6.783 1.00 1.21 H new ATOM 0 HB2 LYS A 19 -13.056 7.913 7.977 1.00 1.41 H new ATOM 0 HB3 LYS A 19 -12.498 8.627 6.477 1.00 1.41 H new ATOM 0 HG2 LYS A 19 -14.357 9.929 7.060 1.00 1.98 H new ATOM 0 HG3 LYS A 19 -14.977 8.850 5.826 1.00 1.98 H new ATOM 0 HD2 LYS A 19 -15.234 8.258 8.796 1.00 2.69 H new ATOM 0 HD3 LYS A 19 -16.434 9.177 7.909 1.00 2.69 H new ATOM 0 HE2 LYS A 19 -16.700 7.234 6.334 1.00 3.29 H new ATOM 0 HE3 LYS A 19 -15.574 6.319 7.316 1.00 3.29 H new ATOM 0 HZ1 LYS A 19 -17.853 5.818 7.900 1.00 4.09 H new ATOM 0 HZ2 LYS A 19 -17.069 6.563 9.209 1.00 4.09 H new ATOM 0 HZ3 LYS A 19 -18.160 7.449 8.258 1.00 4.09 H new ATOM 282 N GLY A 20 -13.225 7.704 4.061 1.00 1.18 N ATOM 283 CA GLY A 20 -13.630 7.966 2.699 1.00 1.47 C ATOM 284 C GLY A 20 -13.421 9.420 2.349 1.00 1.29 C ATOM 285 O GLY A 20 -13.441 10.277 3.231 1.00 1.99 O ATOM 0 H GLY A 20 -12.422 8.246 4.378 1.00 1.18 H new ATOM 0 HA2 GLY A 20 -13.058 7.337 2.017 1.00 1.47 H new ATOM 0 HA3 GLY A 20 -14.680 7.703 2.570 1.00 1.47 H new ATOM 289 N GLY A 21 -13.203 9.703 1.078 1.00 1.10 N ATOM 290 CA GLY A 21 -12.970 11.067 0.662 1.00 1.37 C ATOM 291 C GLY A 21 -12.326 11.142 -0.700 1.00 1.26 C ATOM 292 O GLY A 21 -12.930 10.754 -1.699 1.00 1.79 O ATOM 0 H GLY A 21 -13.183 9.014 0.326 1.00 1.10 H new ATOM 0 HA2 GLY A 21 -13.917 11.607 0.645 1.00 1.37 H new ATOM 0 HA3 GLY A 21 -12.332 11.564 1.392 1.00 1.37 H new ATOM 296 N VAL A 22 -11.090 11.605 -0.737 1.00 1.14 N ATOM 297 CA VAL A 22 -10.387 11.819 -1.991 1.00 1.00 C ATOM 298 C VAL A 22 -8.936 11.361 -1.867 1.00 0.82 C ATOM 299 O VAL A 22 -8.371 11.369 -0.771 1.00 0.87 O ATOM 300 CB VAL A 22 -10.443 13.317 -2.391 1.00 1.11 C ATOM 301 CG1 VAL A 22 -9.760 14.179 -1.340 1.00 1.92 C ATOM 302 CG2 VAL A 22 -9.831 13.549 -3.764 1.00 1.28 C ATOM 0 H VAL A 22 -10.548 11.842 0.094 1.00 1.14 H new ATOM 0 HA VAL A 22 -10.875 11.232 -2.769 1.00 1.00 H new ATOM 0 HB VAL A 22 -11.492 13.608 -2.445 1.00 1.11 H new ATOM 0 HG11 VAL A 22 -9.810 15.226 -1.639 1.00 1.92 H new ATOM 0 HG12 VAL A 22 -10.263 14.051 -0.382 1.00 1.92 H new ATOM 0 HG13 VAL A 22 -8.717 13.878 -1.245 1.00 1.92 H new ATOM 0 HG21 VAL A 22 -9.887 14.609 -4.013 1.00 1.28 H new ATOM 0 HG22 VAL A 22 -8.788 13.233 -3.756 1.00 1.28 H new ATOM 0 HG23 VAL A 22 -10.379 12.972 -4.509 1.00 1.28 H new ATOM 312 N VAL A 23 -8.354 10.932 -2.977 1.00 0.71 N ATOM 313 CA VAL A 23 -6.951 10.547 -3.004 1.00 0.58 C ATOM 314 C VAL A 23 -6.100 11.665 -3.600 1.00 0.54 C ATOM 315 O VAL A 23 -6.196 11.975 -4.790 1.00 0.58 O ATOM 316 CB VAL A 23 -6.727 9.242 -3.799 1.00 0.58 C ATOM 317 CG1 VAL A 23 -5.246 8.903 -3.886 1.00 0.51 C ATOM 318 CG2 VAL A 23 -7.486 8.097 -3.156 1.00 0.69 C ATOM 0 H VAL A 23 -8.833 10.842 -3.873 1.00 0.71 H new ATOM 0 HA VAL A 23 -6.647 10.370 -1.972 1.00 0.58 H new ATOM 0 HB VAL A 23 -7.103 9.394 -4.811 1.00 0.58 H new ATOM 0 HG11 VAL A 23 -5.117 7.980 -4.451 1.00 0.51 H new ATOM 0 HG12 VAL A 23 -4.716 9.713 -4.388 1.00 0.51 H new ATOM 0 HG13 VAL A 23 -4.843 8.773 -2.882 1.00 0.51 H new ATOM 0 HG21 VAL A 23 -7.319 7.184 -3.727 1.00 0.69 H new ATOM 0 HG22 VAL A 23 -7.134 7.956 -2.134 1.00 0.69 H new ATOM 0 HG23 VAL A 23 -8.551 8.328 -3.144 1.00 0.69 H new ATOM 328 N PRO A 24 -5.282 12.304 -2.761 1.00 0.54 N ATOM 329 CA PRO A 24 -4.380 13.375 -3.187 1.00 0.58 C ATOM 330 C PRO A 24 -3.150 12.847 -3.930 1.00 0.55 C ATOM 331 O PRO A 24 -2.685 11.732 -3.667 1.00 0.47 O ATOM 332 CB PRO A 24 -3.968 14.016 -1.861 1.00 0.67 C ATOM 333 CG PRO A 24 -4.039 12.902 -0.874 1.00 0.81 C ATOM 334 CD PRO A 24 -5.181 12.035 -1.315 1.00 0.59 C ATOM 0 HA PRO A 24 -4.856 14.060 -3.888 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -2.963 14.434 -1.917 1.00 0.67 H new ATOM 0 HB3 PRO A 24 -4.638 14.832 -1.589 1.00 0.67 H new ATOM 0 HG2 PRO A 24 -3.106 12.339 -0.853 1.00 0.81 H new ATOM 0 HG3 PRO A 24 -4.204 13.283 0.134 1.00 0.81 H new ATOM 0 HD2 PRO A 24 -4.985 10.981 -1.116 1.00 0.59 H new ATOM 0 HD3 PRO A 24 -6.104 12.291 -0.794 1.00 0.59 H new ATOM 342 N PRO A 25 -2.591 13.651 -4.855 1.00 0.65 N ATOM 343 CA PRO A 25 -1.381 13.284 -5.606 1.00 0.67 C ATOM 344 C PRO A 25 -0.159 13.157 -4.696 1.00 0.66 C ATOM 345 O PRO A 25 0.870 12.601 -5.083 1.00 0.71 O ATOM 346 CB PRO A 25 -1.200 14.440 -6.595 1.00 0.81 C ATOM 347 CG PRO A 25 -1.943 15.581 -5.993 1.00 1.03 C ATOM 348 CD PRO A 25 -3.101 14.976 -5.253 1.00 0.81 C ATOM 0 HA PRO A 25 -1.481 12.313 -6.091 1.00 0.67 H new ATOM 0 HB2 PRO A 25 -0.146 14.683 -6.730 1.00 0.81 H new ATOM 0 HB3 PRO A 25 -1.597 14.185 -7.578 1.00 0.81 H new ATOM 0 HG2 PRO A 25 -1.304 16.151 -5.319 1.00 1.03 H new ATOM 0 HG3 PRO A 25 -2.289 16.271 -6.763 1.00 1.03 H new ATOM 0 HD2 PRO A 25 -3.383 15.575 -4.388 1.00 0.81 H new ATOM 0 HD3 PRO A 25 -3.985 14.894 -5.886 1.00 0.81 H new ATOM 356 N SER A 26 -0.301 13.654 -3.479 1.00 0.68 N ATOM 357 CA SER A 26 0.746 13.572 -2.474 1.00 0.73 C ATOM 358 C SER A 26 0.838 12.145 -1.984 1.00 0.65 C ATOM 359 O SER A 26 1.879 11.495 -2.079 1.00 0.68 O ATOM 360 CB SER A 26 0.407 14.482 -1.302 1.00 0.83 C ATOM 361 OG SER A 26 0.292 15.832 -1.709 1.00 0.91 O ATOM 0 H SER A 26 -1.147 14.126 -3.159 1.00 0.68 H new ATOM 0 HA SER A 26 1.696 13.884 -2.908 1.00 0.73 H new ATOM 0 HB2 SER A 26 -0.529 14.157 -0.847 1.00 0.83 H new ATOM 0 HB3 SER A 26 1.180 14.396 -0.538 1.00 0.83 H new ATOM 0 HG SER A 26 0.072 16.390 -0.934 1.00 0.91 H new ATOM 367 N CYS A 27 -0.291 11.676 -1.469 1.00 0.58 N ATOM 368 CA CYS A 27 -0.470 10.287 -1.108 1.00 0.55 C ATOM 369 C CYS A 27 -0.015 9.394 -2.246 1.00 0.47 C ATOM 370 O CYS A 27 0.738 8.446 -2.037 1.00 0.48 O ATOM 371 CB CYS A 27 -1.943 10.031 -0.826 1.00 0.57 C ATOM 372 SG CYS A 27 -2.434 8.295 -1.022 1.00 0.74 S ATOM 0 H CYS A 27 -1.110 12.257 -1.291 1.00 0.58 H new ATOM 0 HA CYS A 27 0.123 10.066 -0.221 1.00 0.55 H new ATOM 0 HB2 CYS A 27 -2.170 10.351 0.191 1.00 0.57 H new ATOM 0 HB3 CYS A 27 -2.544 10.647 -1.495 1.00 0.57 H new ATOM 377 N CYS A 28 -0.456 9.739 -3.458 1.00 0.42 N ATOM 378 CA CYS A 28 -0.141 8.963 -4.650 1.00 0.40 C ATOM 379 C CYS A 28 1.364 8.746 -4.777 1.00 0.45 C ATOM 380 O CYS A 28 1.819 7.638 -5.068 1.00 0.50 O ATOM 381 CB CYS A 28 -0.709 9.648 -5.903 1.00 0.45 C ATOM 382 SG CYS A 28 0.508 10.001 -7.225 1.00 1.40 S ATOM 0 H CYS A 28 -1.037 10.558 -3.636 1.00 0.42 H new ATOM 0 HA CYS A 28 -0.610 7.984 -4.556 1.00 0.40 H new ATOM 0 HB2 CYS A 28 -1.496 9.017 -6.316 1.00 0.45 H new ATOM 0 HB3 CYS A 28 -1.177 10.586 -5.603 1.00 0.45 H new ATOM 387 N THR A 29 2.130 9.792 -4.523 1.00 0.51 N ATOM 388 CA THR A 29 3.573 9.719 -4.631 1.00 0.58 C ATOM 389 C THR A 29 4.160 8.777 -3.573 1.00 0.54 C ATOM 390 O THR A 29 5.094 8.022 -3.850 1.00 0.56 O ATOM 391 CB THR A 29 4.195 11.126 -4.503 1.00 0.72 C ATOM 392 OG1 THR A 29 3.795 11.932 -5.620 1.00 0.79 O ATOM 393 CG2 THR A 29 5.711 11.065 -4.432 1.00 0.77 C ATOM 0 H THR A 29 1.773 10.705 -4.240 1.00 0.51 H new ATOM 0 HA THR A 29 3.817 9.316 -5.614 1.00 0.58 H new ATOM 0 HB THR A 29 3.835 11.570 -3.575 1.00 0.72 H new ATOM 0 HG1 THR A 29 2.854 12.188 -5.519 1.00 0.79 H new ATOM 0 HG21 THR A 29 6.112 12.075 -4.342 1.00 0.77 H new ATOM 0 HG22 THR A 29 6.011 10.477 -3.565 1.00 0.77 H new ATOM 0 HG23 THR A 29 6.099 10.600 -5.338 1.00 0.77 H new ATOM 401 N GLY A 30 3.596 8.813 -2.370 1.00 0.54 N ATOM 402 CA GLY A 30 4.033 7.911 -1.320 1.00 0.57 C ATOM 403 C GLY A 30 3.648 6.481 -1.620 1.00 0.47 C ATOM 404 O GLY A 30 4.402 5.550 -1.324 1.00 0.51 O ATOM 0 H GLY A 30 2.845 9.450 -2.104 1.00 0.54 H new ATOM 0 HA2 GLY A 30 5.115 7.981 -1.206 1.00 0.57 H new ATOM 0 HA3 GLY A 30 3.592 8.216 -0.371 1.00 0.57 H new ATOM 408 N VAL A 31 2.471 6.305 -2.210 1.00 0.41 N ATOM 409 CA VAL A 31 2.054 5.001 -2.702 1.00 0.44 C ATOM 410 C VAL A 31 3.073 4.508 -3.705 1.00 0.39 C ATOM 411 O VAL A 31 3.539 3.373 -3.637 1.00 0.40 O ATOM 412 CB VAL A 31 0.669 5.047 -3.386 1.00 0.56 C ATOM 413 CG1 VAL A 31 0.234 3.658 -3.823 1.00 0.68 C ATOM 414 CG2 VAL A 31 -0.371 5.672 -2.475 1.00 0.65 C ATOM 0 H VAL A 31 1.790 7.050 -2.358 1.00 0.41 H new ATOM 0 HA VAL A 31 1.982 4.331 -1.845 1.00 0.44 H new ATOM 0 HB VAL A 31 0.758 5.672 -4.274 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -0.744 3.717 -4.302 1.00 0.68 H new ATOM 0 HG12 VAL A 31 0.960 3.255 -4.529 1.00 0.68 H new ATOM 0 HG13 VAL A 31 0.173 3.005 -2.952 1.00 0.68 H new ATOM 0 HG21 VAL A 31 -1.335 5.691 -2.983 1.00 0.65 H new ATOM 0 HG22 VAL A 31 -0.454 5.085 -1.561 1.00 0.65 H new ATOM 0 HG23 VAL A 31 -0.072 6.690 -2.226 1.00 0.65 H new ATOM 424 N LYS A 32 3.439 5.398 -4.612 1.00 0.40 N ATOM 425 CA LYS A 32 4.447 5.115 -5.613 1.00 0.46 C ATOM 426 C LYS A 32 5.776 4.745 -4.953 1.00 0.44 C ATOM 427 O LYS A 32 6.550 3.975 -5.507 1.00 0.49 O ATOM 428 CB LYS A 32 4.615 6.332 -6.531 1.00 0.58 C ATOM 429 CG LYS A 32 5.566 6.112 -7.698 1.00 1.05 C ATOM 430 CD LYS A 32 5.658 7.352 -8.575 1.00 1.14 C ATOM 431 CE LYS A 32 4.322 7.676 -9.229 1.00 1.31 C ATOM 432 NZ LYS A 32 4.351 8.981 -9.941 1.00 1.54 N ATOM 0 H LYS A 32 3.044 6.336 -4.673 1.00 0.40 H new ATOM 0 HA LYS A 32 4.124 4.263 -6.211 1.00 0.46 H new ATOM 0 HB2 LYS A 32 3.638 6.614 -6.923 1.00 0.58 H new ATOM 0 HB3 LYS A 32 4.975 7.172 -5.938 1.00 0.58 H new ATOM 0 HG2 LYS A 32 6.556 5.856 -7.320 1.00 1.05 H new ATOM 0 HG3 LYS A 32 5.224 5.266 -8.294 1.00 1.05 H new ATOM 0 HD2 LYS A 32 5.985 8.200 -7.974 1.00 1.14 H new ATOM 0 HD3 LYS A 32 6.413 7.198 -9.346 1.00 1.14 H new ATOM 0 HE2 LYS A 32 4.062 6.885 -9.933 1.00 1.31 H new ATOM 0 HE3 LYS A 32 3.542 7.696 -8.468 1.00 1.31 H new ATOM 0 HZ1 LYS A 32 3.422 9.162 -10.371 1.00 1.54 H new ATOM 0 HZ2 LYS A 32 4.574 9.740 -9.266 1.00 1.54 H new ATOM 0 HZ3 LYS A 32 5.078 8.955 -10.684 1.00 1.54 H new ATOM 446 N ASN A 33 6.028 5.258 -3.754 1.00 0.41 N ATOM 447 CA ASN A 33 7.282 4.959 -3.073 1.00 0.44 C ATOM 448 C ASN A 33 7.301 3.534 -2.534 1.00 0.39 C ATOM 449 O ASN A 33 8.320 2.857 -2.605 1.00 0.46 O ATOM 450 CB ASN A 33 7.559 5.949 -1.937 1.00 0.52 C ATOM 451 CG ASN A 33 8.047 7.296 -2.431 1.00 1.19 C ATOM 452 OD1 ASN A 33 8.641 7.400 -3.502 1.00 2.11 O ATOM 453 ND2 ASN A 33 7.821 8.339 -1.646 1.00 1.58 N ATOM 0 H ASN A 33 5.394 5.871 -3.241 1.00 0.41 H new ATOM 0 HA ASN A 33 8.072 5.059 -3.817 1.00 0.44 H new ATOM 0 HB2 ASN A 33 6.648 6.090 -1.355 1.00 0.52 H new ATOM 0 HB3 ASN A 33 8.304 5.523 -1.265 1.00 0.52 H new ATOM 0 HD21 ASN A 33 8.143 9.266 -1.924 1.00 1.58 H new ATOM 0 HD22 ASN A 33 7.324 8.215 -0.764 1.00 1.58 H new ATOM 460 N ILE A 34 6.187 3.073 -1.993 1.00 0.36 N ATOM 461 CA ILE A 34 6.114 1.715 -1.467 1.00 0.40 C ATOM 462 C ILE A 34 5.830 0.700 -2.567 1.00 0.48 C ATOM 463 O ILE A 34 6.310 -0.432 -2.523 1.00 0.57 O ATOM 464 CB ILE A 34 5.056 1.623 -0.333 1.00 0.48 C ATOM 465 CG1 ILE A 34 5.763 1.641 1.016 1.00 0.61 C ATOM 466 CG2 ILE A 34 4.177 0.382 -0.458 1.00 0.65 C ATOM 467 CD1 ILE A 34 6.834 2.701 1.111 1.00 0.58 C ATOM 0 H ILE A 34 5.325 3.611 -1.905 1.00 0.36 H new ATOM 0 HA ILE A 34 7.089 1.469 -1.046 1.00 0.40 H new ATOM 0 HB ILE A 34 4.395 2.485 -0.419 1.00 0.48 H new ATOM 0 HG12 ILE A 34 5.027 1.806 1.803 1.00 0.61 H new ATOM 0 HG13 ILE A 34 6.211 0.664 1.198 1.00 0.61 H new ATOM 0 HG21 ILE A 34 3.454 0.364 0.358 1.00 0.65 H new ATOM 0 HG22 ILE A 34 3.648 0.405 -1.411 1.00 0.65 H new ATOM 0 HG23 ILE A 34 4.800 -0.511 -0.411 1.00 0.65 H new ATOM 0 HD11 ILE A 34 7.299 2.661 2.096 1.00 0.58 H new ATOM 0 HD12 ILE A 34 7.590 2.524 0.346 1.00 0.58 H new ATOM 0 HD13 ILE A 34 6.388 3.684 0.960 1.00 0.58 H new ATOM 479 N LEU A 35 5.083 1.122 -3.564 1.00 0.56 N ATOM 480 CA LEU A 35 4.600 0.211 -4.582 1.00 0.79 C ATOM 481 C LEU A 35 5.552 0.134 -5.764 1.00 0.93 C ATOM 482 O LEU A 35 5.734 -0.925 -6.360 1.00 1.31 O ATOM 483 CB LEU A 35 3.221 0.673 -5.038 1.00 1.04 C ATOM 484 CG LEU A 35 2.257 -0.425 -5.457 1.00 1.16 C ATOM 485 CD1 LEU A 35 1.980 -1.365 -4.295 1.00 1.36 C ATOM 486 CD2 LEU A 35 0.967 0.190 -5.965 1.00 1.93 C ATOM 0 H LEU A 35 4.796 2.092 -3.693 1.00 0.56 H new ATOM 0 HA LEU A 35 4.537 -0.791 -4.156 1.00 0.79 H new ATOM 0 HB2 LEU A 35 2.764 1.242 -4.228 1.00 1.04 H new ATOM 0 HB3 LEU A 35 3.348 1.358 -5.876 1.00 1.04 H new ATOM 0 HG LEU A 35 2.711 -1.005 -6.260 1.00 1.16 H new ATOM 0 HD11 LEU A 35 1.288 -2.144 -4.614 1.00 1.36 H new ATOM 0 HD12 LEU A 35 2.913 -1.821 -3.966 1.00 1.36 H new ATOM 0 HD13 LEU A 35 1.540 -0.804 -3.470 1.00 1.36 H new ATOM 0 HD21 LEU A 35 0.280 -0.601 -6.264 1.00 1.93 H new ATOM 0 HD22 LEU A 35 0.512 0.786 -5.174 1.00 1.93 H new ATOM 0 HD23 LEU A 35 1.181 0.828 -6.823 1.00 1.93 H new ATOM 498 N ASN A 36 6.150 1.258 -6.106 1.00 0.89 N ATOM 499 CA ASN A 36 7.097 1.305 -7.210 1.00 1.06 C ATOM 500 C ASN A 36 8.522 1.372 -6.689 1.00 1.01 C ATOM 501 O ASN A 36 9.381 0.587 -7.084 1.00 1.13 O ATOM 502 CB ASN A 36 6.814 2.519 -8.101 1.00 1.21 C ATOM 503 CG ASN A 36 7.843 2.694 -9.206 1.00 1.58 C ATOM 504 OD1 ASN A 36 7.720 2.113 -10.284 1.00 2.45 O ATOM 505 ND2 ASN A 36 8.856 3.509 -8.950 1.00 1.81 N ATOM 0 H ASN A 36 5.999 2.152 -5.638 1.00 0.89 H new ATOM 0 HA ASN A 36 6.981 0.395 -7.799 1.00 1.06 H new ATOM 0 HB2 ASN A 36 5.825 2.414 -8.546 1.00 1.21 H new ATOM 0 HB3 ASN A 36 6.793 3.418 -7.485 1.00 1.21 H new ATOM 0 HD21 ASN A 36 9.570 3.674 -9.660 1.00 1.81 H new ATOM 0 HD22 ASN A 36 8.922 3.972 -8.043 1.00 1.81 H new ATOM 512 N SER A 37 8.755 2.310 -5.789 1.00 0.90 N ATOM 513 CA SER A 37 10.096 2.609 -5.324 1.00 0.98 C ATOM 514 C SER A 37 10.509 1.766 -4.115 1.00 0.84 C ATOM 515 O SER A 37 11.407 2.158 -3.366 1.00 0.94 O ATOM 516 CB SER A 37 10.190 4.098 -4.995 1.00 1.05 C ATOM 517 OG SER A 37 9.869 4.886 -6.131 1.00 1.55 O ATOM 0 H SER A 37 8.026 2.882 -5.363 1.00 0.90 H new ATOM 0 HA SER A 37 10.790 2.354 -6.125 1.00 0.98 H new ATOM 0 HB2 SER A 37 9.511 4.338 -4.177 1.00 1.05 H new ATOM 0 HB3 SER A 37 11.197 4.337 -4.654 1.00 1.05 H new ATOM 0 HG SER A 37 9.934 5.836 -5.899 1.00 1.55 H new ATOM 523 N SER A 38 9.853 0.622 -3.903 1.00 0.67 N ATOM 524 CA SER A 38 10.347 -0.347 -2.930 1.00 0.58 C ATOM 525 C SER A 38 11.739 -0.794 -3.353 1.00 0.67 C ATOM 526 O SER A 38 11.919 -1.613 -4.262 1.00 1.22 O ATOM 527 CB SER A 38 9.372 -1.511 -2.785 1.00 0.54 C ATOM 528 OG SER A 38 9.828 -2.452 -1.836 1.00 1.43 O ATOM 0 H SER A 38 8.995 0.350 -4.383 1.00 0.67 H new ATOM 0 HA SER A 38 10.420 0.109 -1.943 1.00 0.58 H new ATOM 0 HB2 SER A 38 8.395 -1.133 -2.484 1.00 0.54 H new ATOM 0 HB3 SER A 38 9.241 -2.000 -3.750 1.00 0.54 H new ATOM 0 HG SER A 38 9.071 -2.770 -1.301 1.00 1.43 H new ATOM 534 N ARG A 39 12.708 -0.194 -2.673 1.00 0.87 N ATOM 535 CA ARG A 39 14.109 -0.203 -3.059 1.00 1.08 C ATOM 536 C ARG A 39 14.653 -1.601 -3.294 1.00 0.84 C ATOM 537 O ARG A 39 15.229 -1.882 -4.341 1.00 1.22 O ATOM 538 CB ARG A 39 14.909 0.498 -1.961 1.00 1.40 C ATOM 539 CG ARG A 39 16.389 0.648 -2.249 1.00 1.90 C ATOM 540 CD ARG A 39 17.097 1.299 -1.073 1.00 2.25 C ATOM 541 NE ARG A 39 16.537 2.615 -0.758 1.00 2.89 N ATOM 542 CZ ARG A 39 15.871 2.902 0.366 1.00 3.60 C ATOM 543 NH1 ARG A 39 15.644 1.958 1.274 1.00 3.87 N ATOM 544 NH2 ARG A 39 15.413 4.130 0.570 1.00 4.47 N ATOM 0 H ARG A 39 12.533 0.327 -1.813 1.00 0.87 H new ATOM 0 HA ARG A 39 14.204 0.320 -4.010 1.00 1.08 H new ATOM 0 HB2 ARG A 39 14.483 1.488 -1.797 1.00 1.40 H new ATOM 0 HB3 ARG A 39 14.789 -0.059 -1.032 1.00 1.40 H new ATOM 0 HG2 ARG A 39 16.827 -0.330 -2.449 1.00 1.90 H new ATOM 0 HG3 ARG A 39 16.532 1.251 -3.146 1.00 1.90 H new ATOM 0 HD2 ARG A 39 17.018 0.652 -0.199 1.00 2.25 H new ATOM 0 HD3 ARG A 39 18.158 1.401 -1.300 1.00 2.25 H new ATOM 0 HE ARG A 39 16.663 3.362 -1.441 1.00 2.89 H new ATOM 0 HH11 ARG A 39 15.978 1.007 1.116 1.00 3.87 H new ATOM 0 HH12 ARG A 39 15.135 2.184 2.129 1.00 3.87 H new ATOM 0 HH21 ARG A 39 15.569 4.855 -0.130 1.00 4.47 H new ATOM 0 HH22 ARG A 39 14.905 4.349 1.427 1.00 4.47 H new ATOM 558 N THR A 40 14.470 -2.475 -2.327 1.00 0.62 N ATOM 559 CA THR A 40 15.113 -3.773 -2.376 1.00 0.70 C ATOM 560 C THR A 40 14.117 -4.913 -2.266 1.00 0.75 C ATOM 561 O THR A 40 12.936 -4.706 -1.990 1.00 0.61 O ATOM 562 CB THR A 40 16.159 -3.921 -1.254 1.00 0.88 C ATOM 563 OG1 THR A 40 15.527 -3.784 0.026 1.00 1.59 O ATOM 564 CG2 THR A 40 17.267 -2.886 -1.393 1.00 1.25 C ATOM 0 H THR A 40 13.888 -2.314 -1.505 1.00 0.62 H new ATOM 0 HA THR A 40 15.603 -3.829 -3.348 1.00 0.70 H new ATOM 0 HB THR A 40 16.605 -4.912 -1.337 1.00 0.88 H new ATOM 0 HG1 THR A 40 15.175 -2.875 0.121 1.00 1.59 H new ATOM 0 HG21 THR A 40 17.989 -3.016 -0.587 1.00 1.25 H new ATOM 0 HG22 THR A 40 17.767 -3.015 -2.353 1.00 1.25 H new ATOM 0 HG23 THR A 40 16.839 -1.885 -1.339 1.00 1.25 H new ATOM 572 N THR A 41 14.610 -6.123 -2.488 1.00 1.03 N ATOM 573 CA THR A 41 13.839 -7.327 -2.242 1.00 1.16 C ATOM 574 C THR A 41 13.438 -7.381 -0.774 1.00 1.04 C ATOM 575 O THR A 41 12.318 -7.758 -0.431 1.00 0.97 O ATOM 576 CB THR A 41 14.673 -8.569 -2.571 1.00 1.58 C ATOM 577 OG1 THR A 41 15.153 -8.497 -3.923 1.00 1.79 O ATOM 578 CG2 THR A 41 13.869 -9.846 -2.378 1.00 1.73 C ATOM 0 H THR A 41 15.551 -6.295 -2.842 1.00 1.03 H new ATOM 0 HA THR A 41 12.952 -7.309 -2.875 1.00 1.16 H new ATOM 0 HB THR A 41 15.519 -8.594 -1.884 1.00 1.58 H new ATOM 0 HG1 THR A 41 14.769 -9.232 -4.446 1.00 1.79 H new ATOM 0 HG21 THR A 41 14.491 -10.708 -2.620 1.00 1.73 H new ATOM 0 HG22 THR A 41 13.540 -9.916 -1.341 1.00 1.73 H new ATOM 0 HG23 THR A 41 12.999 -9.831 -3.034 1.00 1.73 H new ATOM 586 N ALA A 42 14.369 -6.974 0.082 1.00 1.12 N ATOM 587 CA ALA A 42 14.126 -6.912 1.511 1.00 1.18 C ATOM 588 C ALA A 42 13.018 -5.914 1.809 1.00 0.98 C ATOM 589 O ALA A 42 12.280 -6.067 2.777 1.00 1.13 O ATOM 590 CB ALA A 42 15.401 -6.534 2.251 1.00 1.41 C ATOM 0 H ALA A 42 15.305 -6.681 -0.196 1.00 1.12 H new ATOM 0 HA ALA A 42 13.810 -7.896 1.857 1.00 1.18 H new ATOM 0 HB1 ALA A 42 15.201 -6.492 3.322 1.00 1.41 H new ATOM 0 HB2 ALA A 42 16.171 -7.280 2.054 1.00 1.41 H new ATOM 0 HB3 ALA A 42 15.745 -5.559 1.908 1.00 1.41 H new ATOM 596 N ASP A 43 12.897 -4.912 0.948 1.00 0.74 N ATOM 597 CA ASP A 43 11.847 -3.917 1.075 1.00 0.67 C ATOM 598 C ASP A 43 10.519 -4.508 0.643 1.00 0.64 C ATOM 599 O ASP A 43 9.512 -4.392 1.336 1.00 0.93 O ATOM 600 CB ASP A 43 12.170 -2.702 0.206 1.00 0.63 C ATOM 601 CG ASP A 43 13.067 -1.698 0.890 1.00 1.00 C ATOM 602 OD1 ASP A 43 12.613 -1.053 1.855 1.00 1.18 O ATOM 603 OD2 ASP A 43 14.234 -1.549 0.468 1.00 1.72 O ATOM 0 H ASP A 43 13.518 -4.769 0.151 1.00 0.74 H new ATOM 0 HA ASP A 43 11.782 -3.607 2.118 1.00 0.67 H new ATOM 0 HB2 ASP A 43 12.649 -3.039 -0.713 1.00 0.63 H new ATOM 0 HB3 ASP A 43 11.240 -2.211 -0.080 1.00 0.63 H new ATOM 608 N ARG A 44 10.545 -5.172 -0.503 1.00 0.54 N ATOM 609 CA ARG A 44 9.340 -5.701 -1.123 1.00 0.61 C ATOM 610 C ARG A 44 8.707 -6.804 -0.283 1.00 0.67 C ATOM 611 O ARG A 44 7.493 -6.826 -0.107 1.00 0.93 O ATOM 612 CB ARG A 44 9.664 -6.200 -2.536 1.00 0.76 C ATOM 613 CG ARG A 44 10.213 -5.093 -3.421 1.00 1.39 C ATOM 614 CD ARG A 44 10.727 -5.603 -4.754 1.00 1.53 C ATOM 615 NE ARG A 44 11.480 -4.562 -5.456 1.00 1.70 N ATOM 616 CZ ARG A 44 11.952 -4.677 -6.698 1.00 2.01 C ATOM 617 NH1 ARG A 44 11.743 -5.782 -7.404 1.00 2.34 N ATOM 618 NH2 ARG A 44 12.647 -3.684 -7.234 1.00 2.70 N ATOM 0 H ARG A 44 11.399 -5.359 -1.028 1.00 0.54 H new ATOM 0 HA ARG A 44 8.607 -4.897 -1.188 1.00 0.61 H new ATOM 0 HB2 ARG A 44 10.391 -7.010 -2.476 1.00 0.76 H new ATOM 0 HB3 ARG A 44 8.763 -6.613 -2.990 1.00 0.76 H new ATOM 0 HG2 ARG A 44 9.431 -4.354 -3.597 1.00 1.39 H new ATOM 0 HG3 ARG A 44 11.021 -4.583 -2.897 1.00 1.39 H new ATOM 0 HD2 ARG A 44 11.364 -6.473 -4.594 1.00 1.53 H new ATOM 0 HD3 ARG A 44 9.890 -5.930 -5.370 1.00 1.53 H new ATOM 0 HE ARG A 44 11.656 -3.688 -4.961 1.00 1.70 H new ATOM 0 HH11 ARG A 44 11.216 -6.555 -6.997 1.00 2.34 H new ATOM 0 HH12 ARG A 44 12.109 -5.858 -8.353 1.00 2.34 H new ATOM 0 HH21 ARG A 44 12.820 -2.834 -6.697 1.00 2.70 H new ATOM 0 HH22 ARG A 44 13.009 -3.769 -8.184 1.00 2.70 H new ATOM 632 N ARG A 45 9.530 -7.691 0.263 1.00 0.66 N ATOM 633 CA ARG A 45 9.015 -8.823 1.041 1.00 0.72 C ATOM 634 C ARG A 45 8.803 -8.437 2.496 1.00 0.76 C ATOM 635 O ARG A 45 8.420 -9.260 3.322 1.00 1.28 O ATOM 636 CB ARG A 45 9.959 -10.019 0.955 1.00 0.88 C ATOM 637 CG ARG A 45 10.359 -10.361 -0.465 1.00 1.16 C ATOM 638 CD ARG A 45 10.955 -11.759 -0.566 1.00 1.34 C ATOM 639 NE ARG A 45 12.055 -11.969 0.378 1.00 1.99 N ATOM 640 CZ ARG A 45 12.988 -12.909 0.239 1.00 2.61 C ATOM 641 NH1 ARG A 45 12.970 -13.722 -0.812 1.00 2.84 N ATOM 642 NH2 ARG A 45 13.935 -13.039 1.161 1.00 3.54 N ATOM 0 H ARG A 45 10.546 -7.654 0.186 1.00 0.66 H new ATOM 0 HA ARG A 45 8.053 -9.103 0.612 1.00 0.72 H new ATOM 0 HB2 ARG A 45 10.856 -9.809 1.538 1.00 0.88 H new ATOM 0 HB3 ARG A 45 9.479 -10.886 1.410 1.00 0.88 H new ATOM 0 HG2 ARG A 45 9.487 -10.290 -1.115 1.00 1.16 H new ATOM 0 HG3 ARG A 45 11.084 -9.630 -0.824 1.00 1.16 H new ATOM 0 HD2 ARG A 45 10.175 -12.497 -0.380 1.00 1.34 H new ATOM 0 HD3 ARG A 45 11.315 -11.925 -1.581 1.00 1.34 H new ATOM 0 HE ARG A 45 12.110 -11.357 1.192 1.00 1.99 H new ATOM 0 HH11 ARG A 45 12.239 -13.628 -1.517 1.00 2.84 H new ATOM 0 HH12 ARG A 45 13.687 -14.440 -0.914 1.00 2.84 H new ATOM 0 HH21 ARG A 45 13.946 -12.420 1.972 1.00 3.54 H new ATOM 0 HH22 ARG A 45 14.651 -13.758 1.058 1.00 3.54 H new ATOM 656 N ALA A 46 9.061 -7.185 2.805 1.00 0.51 N ATOM 657 CA ALA A 46 8.782 -6.658 4.133 1.00 0.53 C ATOM 658 C ALA A 46 7.523 -5.800 4.110 1.00 0.44 C ATOM 659 O ALA A 46 6.679 -5.882 5.007 1.00 0.53 O ATOM 660 CB ALA A 46 9.961 -5.853 4.647 1.00 0.64 C ATOM 0 H ALA A 46 9.464 -6.508 2.157 1.00 0.51 H new ATOM 0 HA ALA A 46 8.619 -7.498 4.809 1.00 0.53 H new ATOM 0 HB1 ALA A 46 9.733 -5.468 5.641 1.00 0.64 H new ATOM 0 HB2 ALA A 46 10.843 -6.492 4.699 1.00 0.64 H new ATOM 0 HB3 ALA A 46 10.156 -5.020 3.971 1.00 0.64 H new ATOM 666 N VAL A 47 7.398 -4.988 3.070 1.00 0.35 N ATOM 667 CA VAL A 47 6.269 -4.087 2.928 1.00 0.38 C ATOM 668 C VAL A 47 4.964 -4.858 2.742 1.00 0.42 C ATOM 669 O VAL A 47 3.925 -4.431 3.227 1.00 0.50 O ATOM 670 CB VAL A 47 6.485 -3.095 1.758 1.00 0.45 C ATOM 671 CG1 VAL A 47 6.597 -3.807 0.419 1.00 0.50 C ATOM 672 CG2 VAL A 47 5.377 -2.062 1.710 1.00 0.70 C ATOM 0 H VAL A 47 8.073 -4.937 2.307 1.00 0.35 H new ATOM 0 HA VAL A 47 6.195 -3.512 3.851 1.00 0.38 H new ATOM 0 HB VAL A 47 7.432 -2.588 1.944 1.00 0.45 H new ATOM 0 HG11 VAL A 47 6.748 -3.073 -0.372 1.00 0.50 H new ATOM 0 HG12 VAL A 47 7.443 -4.494 0.442 1.00 0.50 H new ATOM 0 HG13 VAL A 47 5.681 -4.365 0.226 1.00 0.50 H new ATOM 0 HG21 VAL A 47 5.553 -1.378 0.880 1.00 0.70 H new ATOM 0 HG22 VAL A 47 4.419 -2.562 1.571 1.00 0.70 H new ATOM 0 HG23 VAL A 47 5.361 -1.501 2.645 1.00 0.70 H new ATOM 682 N CYS A 48 5.026 -6.006 2.074 1.00 0.44 N ATOM 683 CA CYS A 48 3.838 -6.831 1.859 1.00 0.56 C ATOM 684 C CYS A 48 3.236 -7.287 3.189 1.00 0.59 C ATOM 685 O CYS A 48 2.026 -7.201 3.395 1.00 0.68 O ATOM 686 CB CYS A 48 4.181 -8.036 0.978 1.00 0.68 C ATOM 687 SG CYS A 48 5.766 -8.827 1.399 1.00 1.78 S ATOM 0 H CYS A 48 5.883 -6.387 1.673 1.00 0.44 H new ATOM 0 HA CYS A 48 3.091 -6.226 1.346 1.00 0.56 H new ATOM 0 HB2 CYS A 48 3.384 -8.774 1.062 1.00 0.68 H new ATOM 0 HB3 CYS A 48 4.211 -7.716 -0.064 1.00 0.68 H new ATOM 692 N SER A 49 4.092 -7.761 4.090 1.00 0.59 N ATOM 693 CA SER A 49 3.670 -8.164 5.433 1.00 0.73 C ATOM 694 C SER A 49 2.886 -7.059 6.151 1.00 0.73 C ATOM 695 O SER A 49 1.897 -7.333 6.831 1.00 0.96 O ATOM 696 CB SER A 49 4.889 -8.564 6.272 1.00 0.84 C ATOM 697 OG SER A 49 5.534 -9.702 5.729 1.00 1.41 O ATOM 0 H SER A 49 5.090 -7.877 3.915 1.00 0.59 H new ATOM 0 HA SER A 49 3.004 -9.019 5.318 1.00 0.73 H new ATOM 0 HB2 SER A 49 5.591 -7.732 6.317 1.00 0.84 H new ATOM 0 HB3 SER A 49 4.577 -8.773 7.295 1.00 0.84 H new ATOM 0 HG SER A 49 5.131 -9.925 4.864 1.00 1.41 H new ATOM 703 N CYS A 50 3.321 -5.816 6.000 1.00 0.57 N ATOM 704 CA CYS A 50 2.660 -4.707 6.680 1.00 0.60 C ATOM 705 C CYS A 50 1.513 -4.152 5.837 1.00 0.55 C ATOM 706 O CYS A 50 0.522 -3.672 6.374 1.00 0.59 O ATOM 707 CB CYS A 50 3.661 -3.601 7.017 1.00 0.63 C ATOM 708 SG CYS A 50 2.968 -2.262 8.052 1.00 1.11 S ATOM 0 H CYS A 50 4.118 -5.550 5.421 1.00 0.57 H new ATOM 0 HA CYS A 50 2.243 -5.089 7.612 1.00 0.60 H new ATOM 0 HB2 CYS A 50 4.514 -4.042 7.534 1.00 0.63 H new ATOM 0 HB3 CYS A 50 4.038 -3.171 6.089 1.00 0.63 H new ATOM 713 N LEU A 51 1.651 -4.230 4.514 1.00 0.51 N ATOM 714 CA LEU A 51 0.582 -3.839 3.594 1.00 0.55 C ATOM 715 C LEU A 51 -0.659 -4.685 3.860 1.00 0.63 C ATOM 716 O LEU A 51 -1.789 -4.237 3.698 1.00 0.63 O ATOM 717 CB LEU A 51 1.047 -4.016 2.146 1.00 0.66 C ATOM 718 CG LEU A 51 0.044 -3.597 1.070 1.00 0.77 C ATOM 719 CD1 LEU A 51 -0.249 -2.108 1.161 1.00 1.33 C ATOM 720 CD2 LEU A 51 0.571 -3.959 -0.312 1.00 1.33 C ATOM 0 H LEU A 51 2.498 -4.562 4.053 1.00 0.51 H new ATOM 0 HA LEU A 51 0.335 -2.789 3.754 1.00 0.55 H new ATOM 0 HB2 LEU A 51 1.963 -3.442 2.006 1.00 0.66 H new ATOM 0 HB3 LEU A 51 1.301 -5.065 1.991 1.00 0.66 H new ATOM 0 HG LEU A 51 -0.889 -4.136 1.236 1.00 0.77 H new ATOM 0 HD11 LEU A 51 -0.965 -1.830 0.387 1.00 1.33 H new ATOM 0 HD12 LEU A 51 -0.667 -1.879 2.141 1.00 1.33 H new ATOM 0 HD13 LEU A 51 0.674 -1.546 1.020 1.00 1.33 H new ATOM 0 HD21 LEU A 51 -0.153 -3.655 -1.068 1.00 1.33 H new ATOM 0 HD22 LEU A 51 1.516 -3.445 -0.487 1.00 1.33 H new ATOM 0 HD23 LEU A 51 0.727 -5.036 -0.371 1.00 1.33 H new ATOM 732 N LYS A 52 -0.413 -5.917 4.282 1.00 0.80 N ATOM 733 CA LYS A 52 -1.459 -6.824 4.723 1.00 0.99 C ATOM 734 C LYS A 52 -2.268 -6.206 5.865 1.00 0.92 C ATOM 735 O LYS A 52 -3.499 -6.278 5.887 1.00 1.02 O ATOM 736 CB LYS A 52 -0.809 -8.136 5.169 1.00 1.32 C ATOM 737 CG LYS A 52 -1.770 -9.155 5.745 1.00 1.40 C ATOM 738 CD LYS A 52 -1.048 -10.438 6.125 1.00 1.78 C ATOM 739 CE LYS A 52 -0.331 -11.048 4.928 1.00 1.79 C ATOM 740 NZ LYS A 52 0.434 -12.264 5.300 1.00 2.30 N ATOM 0 H LYS A 52 0.524 -6.316 4.328 1.00 0.80 H new ATOM 0 HA LYS A 52 -2.148 -7.015 3.901 1.00 0.99 H new ATOM 0 HB2 LYS A 52 -0.298 -8.581 4.315 1.00 1.32 H new ATOM 0 HB3 LYS A 52 -0.047 -7.913 5.916 1.00 1.32 H new ATOM 0 HG2 LYS A 52 -2.263 -8.738 6.623 1.00 1.40 H new ATOM 0 HG3 LYS A 52 -2.550 -9.376 5.016 1.00 1.40 H new ATOM 0 HD2 LYS A 52 -0.327 -10.231 6.916 1.00 1.78 H new ATOM 0 HD3 LYS A 52 -1.764 -11.155 6.526 1.00 1.78 H new ATOM 0 HE2 LYS A 52 -1.060 -11.300 4.158 1.00 1.79 H new ATOM 0 HE3 LYS A 52 0.346 -10.311 4.497 1.00 1.79 H new ATOM 0 HZ1 LYS A 52 0.907 -12.648 4.457 1.00 2.30 H new ATOM 0 HZ2 LYS A 52 1.147 -12.020 6.016 1.00 2.30 H new ATOM 0 HZ3 LYS A 52 -0.216 -12.978 5.688 1.00 2.30 H new ATOM 754 N ALA A 53 -1.565 -5.578 6.801 1.00 0.88 N ATOM 755 CA ALA A 53 -2.208 -4.920 7.928 1.00 0.95 C ATOM 756 C ALA A 53 -2.768 -3.568 7.502 1.00 0.91 C ATOM 757 O ALA A 53 -3.648 -3.009 8.152 1.00 1.10 O ATOM 758 CB ALA A 53 -1.224 -4.753 9.077 1.00 1.06 C ATOM 0 H ALA A 53 -0.547 -5.512 6.800 1.00 0.88 H new ATOM 0 HA ALA A 53 -3.034 -5.544 8.271 1.00 0.95 H new ATOM 0 HB1 ALA A 53 -1.720 -4.259 9.912 1.00 1.06 H new ATOM 0 HB2 ALA A 53 -0.866 -5.732 9.395 1.00 1.06 H new ATOM 0 HB3 ALA A 53 -0.379 -4.148 8.748 1.00 1.06 H new ATOM 764 N ALA A 54 -2.268 -3.059 6.390 1.00 0.79 N ATOM 765 CA ALA A 54 -2.705 -1.773 5.879 1.00 0.87 C ATOM 766 C ALA A 54 -3.953 -1.924 5.015 1.00 0.94 C ATOM 767 O ALA A 54 -4.374 -0.987 4.338 1.00 1.16 O ATOM 768 CB ALA A 54 -1.583 -1.109 5.096 1.00 0.89 C ATOM 0 H ALA A 54 -1.556 -3.519 5.822 1.00 0.79 H new ATOM 0 HA ALA A 54 -2.961 -1.136 6.726 1.00 0.87 H new ATOM 0 HB1 ALA A 54 -1.924 -0.145 4.718 1.00 0.89 H new ATOM 0 HB2 ALA A 54 -0.723 -0.959 5.749 1.00 0.89 H new ATOM 0 HB3 ALA A 54 -1.297 -1.746 4.259 1.00 0.89 H new ATOM 774 N ALA A 55 -4.530 -3.120 5.030 1.00 0.88 N ATOM 775 CA ALA A 55 -5.794 -3.360 4.354 1.00 0.97 C ATOM 776 C ALA A 55 -6.848 -3.886 5.328 1.00 0.96 C ATOM 777 O ALA A 55 -8.023 -3.529 5.245 1.00 1.07 O ATOM 778 CB ALA A 55 -5.598 -4.336 3.206 1.00 1.11 C ATOM 0 H ALA A 55 -4.141 -3.936 5.503 1.00 0.88 H new ATOM 0 HA ALA A 55 -6.151 -2.411 3.953 1.00 0.97 H new ATOM 0 HB1 ALA A 55 -6.552 -4.508 2.708 1.00 1.11 H new ATOM 0 HB2 ALA A 55 -4.886 -3.921 2.493 1.00 1.11 H new ATOM 0 HB3 ALA A 55 -5.216 -5.281 3.593 1.00 1.11 H new ATOM 784 N GLY A 56 -6.423 -4.727 6.265 1.00 0.96 N ATOM 785 CA GLY A 56 -7.369 -5.357 7.165 1.00 1.05 C ATOM 786 C GLY A 56 -7.286 -4.852 8.594 1.00 0.99 C ATOM 787 O GLY A 56 -8.025 -5.323 9.459 1.00 1.08 O ATOM 0 H GLY A 56 -5.447 -4.982 6.416 1.00 0.96 H new ATOM 0 HA2 GLY A 56 -8.379 -5.192 6.789 1.00 1.05 H new ATOM 0 HA3 GLY A 56 -7.199 -6.434 7.160 1.00 1.05 H new ATOM 791 N ALA A 57 -6.405 -3.897 8.855 1.00 0.98 N ATOM 792 CA ALA A 57 -6.230 -3.388 10.210 1.00 1.11 C ATOM 793 C ALA A 57 -6.360 -1.869 10.257 1.00 1.10 C ATOM 794 O ALA A 57 -5.910 -1.228 11.206 1.00 1.53 O ATOM 795 CB ALA A 57 -4.879 -3.818 10.762 1.00 1.34 C ATOM 0 H ALA A 57 -5.805 -3.462 8.155 1.00 0.98 H new ATOM 0 HA ALA A 57 -7.021 -3.810 10.830 1.00 1.11 H new ATOM 0 HB1 ALA A 57 -4.760 -3.432 11.774 1.00 1.34 H new ATOM 0 HB2 ALA A 57 -4.823 -4.906 10.780 1.00 1.34 H new ATOM 0 HB3 ALA A 57 -4.085 -3.424 10.128 1.00 1.34 H new ATOM 801 N VAL A 58 -7.012 -1.299 9.250 1.00 0.89 N ATOM 802 CA VAL A 58 -7.146 0.153 9.152 1.00 1.10 C ATOM 803 C VAL A 58 -8.425 0.630 9.846 1.00 1.08 C ATOM 804 O VAL A 58 -8.892 1.748 9.629 1.00 1.78 O ATOM 805 CB VAL A 58 -7.120 0.606 7.673 1.00 1.50 C ATOM 806 CG1 VAL A 58 -6.990 2.119 7.548 1.00 1.74 C ATOM 807 CG2 VAL A 58 -5.975 -0.073 6.946 1.00 2.36 C ATOM 0 H VAL A 58 -7.455 -1.817 8.491 1.00 0.89 H new ATOM 0 HA VAL A 58 -6.297 0.608 9.661 1.00 1.10 H new ATOM 0 HB VAL A 58 -8.067 0.315 7.219 1.00 1.50 H new ATOM 0 HG11 VAL A 58 -6.975 2.397 6.494 1.00 1.74 H new ATOM 0 HG12 VAL A 58 -7.837 2.599 8.038 1.00 1.74 H new ATOM 0 HG13 VAL A 58 -6.064 2.445 8.022 1.00 1.74 H new ATOM 0 HG21 VAL A 58 -5.962 0.250 5.905 1.00 2.36 H new ATOM 0 HG22 VAL A 58 -5.032 0.196 7.421 1.00 2.36 H new ATOM 0 HG23 VAL A 58 -6.107 -1.154 6.989 1.00 2.36 H new ATOM 817 N ARG A 59 -8.969 -0.233 10.705 1.00 0.92 N ATOM 818 CA ARG A 59 -10.158 0.063 11.509 1.00 1.16 C ATOM 819 C ARG A 59 -11.413 0.204 10.663 1.00 1.18 C ATOM 820 O ARG A 59 -12.326 -0.619 10.736 1.00 1.83 O ATOM 821 CB ARG A 59 -9.945 1.301 12.389 1.00 1.63 C ATOM 822 CG ARG A 59 -9.047 1.053 13.600 1.00 2.16 C ATOM 823 CD ARG A 59 -7.578 0.908 13.224 1.00 2.64 C ATOM 824 NE ARG A 59 -6.974 2.190 12.858 1.00 3.01 N ATOM 825 CZ ARG A 59 -5.740 2.327 12.374 1.00 3.85 C ATOM 826 NH1 ARG A 59 -5.000 1.261 12.101 1.00 4.30 N ATOM 827 NH2 ARG A 59 -5.253 3.541 12.143 1.00 4.65 N ATOM 0 H ARG A 59 -8.593 -1.168 10.865 1.00 0.92 H new ATOM 0 HA ARG A 59 -10.311 -0.796 12.163 1.00 1.16 H new ATOM 0 HB2 ARG A 59 -9.509 2.095 11.783 1.00 1.63 H new ATOM 0 HB3 ARG A 59 -10.914 1.660 12.735 1.00 1.63 H new ATOM 0 HG2 ARG A 59 -9.158 1.878 14.304 1.00 2.16 H new ATOM 0 HG3 ARG A 59 -9.377 0.150 14.113 1.00 2.16 H new ATOM 0 HD2 ARG A 59 -7.031 0.476 14.062 1.00 2.64 H new ATOM 0 HD3 ARG A 59 -7.485 0.213 12.390 1.00 2.64 H new ATOM 0 HE ARG A 59 -7.534 3.033 12.981 1.00 3.01 H new ATOM 0 HH11 ARG A 59 -5.374 0.326 12.261 1.00 4.30 H new ATOM 0 HH12 ARG A 59 -4.057 1.376 11.731 1.00 4.30 H new ATOM 0 HH21 ARG A 59 -5.823 4.364 12.336 1.00 4.65 H new ATOM 0 HH22 ARG A 59 -4.309 3.650 11.773 1.00 4.65 H new ATOM 841 N GLY A 60 -11.446 1.249 9.882 1.00 1.26 N ATOM 842 CA GLY A 60 -12.542 1.478 8.955 1.00 1.50 C ATOM 843 C GLY A 60 -12.529 0.469 7.827 1.00 1.68 C ATOM 844 O GLY A 60 -13.566 0.167 7.234 1.00 2.01 O ATOM 0 H GLY A 60 -10.722 1.968 9.863 1.00 1.26 H new ATOM 0 HA2 GLY A 60 -13.491 1.418 9.488 1.00 1.50 H new ATOM 0 HA3 GLY A 60 -12.470 2.485 8.545 1.00 1.50 H new ATOM 848 N ILE A 61 -11.334 -0.043 7.545 1.00 1.67 N ATOM 849 CA ILE A 61 -11.121 -1.120 6.580 1.00 1.93 C ATOM 850 C ILE A 61 -11.243 -0.639 5.139 1.00 1.67 C ATOM 851 O ILE A 61 -12.250 -0.052 4.737 1.00 2.21 O ATOM 852 CB ILE A 61 -12.075 -2.318 6.814 1.00 2.53 C ATOM 853 CG1 ILE A 61 -11.937 -2.847 8.247 1.00 3.45 C ATOM 854 CG2 ILE A 61 -11.795 -3.428 5.811 1.00 2.78 C ATOM 855 CD1 ILE A 61 -10.526 -3.255 8.615 1.00 3.54 C ATOM 0 H ILE A 61 -10.474 0.282 7.986 1.00 1.67 H new ATOM 0 HA ILE A 61 -10.098 -1.459 6.743 1.00 1.93 H new ATOM 0 HB ILE A 61 -13.099 -1.972 6.671 1.00 2.53 H new ATOM 0 HG12 ILE A 61 -12.276 -2.079 8.942 1.00 3.45 H new ATOM 0 HG13 ILE A 61 -12.598 -3.705 8.373 1.00 3.45 H new ATOM 0 HG21 ILE A 61 -12.475 -4.261 5.991 1.00 2.78 H new ATOM 0 HG22 ILE A 61 -11.944 -3.050 4.799 1.00 2.78 H new ATOM 0 HG23 ILE A 61 -10.766 -3.769 5.923 1.00 2.78 H new ATOM 0 HD11 ILE A 61 -10.509 -3.618 9.643 1.00 3.54 H new ATOM 0 HD12 ILE A 61 -10.189 -4.046 7.945 1.00 3.54 H new ATOM 0 HD13 ILE A 61 -9.863 -2.395 8.523 1.00 3.54 H new ATOM 867 N ASN A 62 -10.195 -0.895 4.375 1.00 1.52 N ATOM 868 CA ASN A 62 -10.137 -0.528 2.966 1.00 1.54 C ATOM 869 C ASN A 62 -10.080 -1.749 2.054 1.00 1.47 C ATOM 870 O ASN A 62 -9.002 -2.227 1.712 1.00 1.53 O ATOM 871 CB ASN A 62 -8.915 0.354 2.678 1.00 1.94 C ATOM 872 CG ASN A 62 -7.638 -0.126 3.373 1.00 2.79 C ATOM 873 OD1 ASN A 62 -7.671 -0.657 4.480 1.00 3.22 O ATOM 874 ND2 ASN A 62 -6.502 0.042 2.721 1.00 3.41 N ATOM 0 H ASN A 62 -9.356 -1.365 4.714 1.00 1.52 H new ATOM 0 HA ASN A 62 -11.054 0.023 2.757 1.00 1.54 H new ATOM 0 HB2 ASN A 62 -8.744 0.384 1.602 1.00 1.94 H new ATOM 0 HB3 ASN A 62 -9.130 1.374 2.995 1.00 1.94 H new ATOM 0 HD21 ASN A 62 -5.625 -0.272 3.136 1.00 3.41 H new ATOM 0 HD22 ASN A 62 -6.502 0.486 1.803 1.00 3.41 H new ATOM 881 N PRO A 63 -11.237 -2.288 1.659 1.00 1.67 N ATOM 882 CA PRO A 63 -11.304 -3.315 0.630 1.00 1.87 C ATOM 883 C PRO A 63 -11.161 -2.703 -0.758 1.00 1.64 C ATOM 884 O PRO A 63 -10.206 -2.991 -1.481 1.00 1.59 O ATOM 885 CB PRO A 63 -12.695 -3.948 0.820 1.00 2.43 C ATOM 886 CG PRO A 63 -13.266 -3.310 2.047 1.00 2.38 C ATOM 887 CD PRO A 63 -12.563 -1.991 2.202 1.00 2.01 C ATOM 0 HA PRO A 63 -10.501 -4.047 0.715 1.00 1.87 H new ATOM 0 HB2 PRO A 63 -13.330 -3.766 -0.047 1.00 2.43 H new ATOM 0 HB3 PRO A 63 -12.620 -5.029 0.939 1.00 2.43 H new ATOM 0 HG2 PRO A 63 -14.342 -3.168 1.947 1.00 2.38 H new ATOM 0 HG3 PRO A 63 -13.108 -3.940 2.922 1.00 2.38 H new ATOM 0 HD2 PRO A 63 -13.062 -1.195 1.649 1.00 2.01 H new ATOM 0 HD3 PRO A 63 -12.516 -1.674 3.244 1.00 2.01 H new ATOM 895 N ASN A 64 -12.093 -1.828 -1.115 1.00 1.59 N ATOM 896 CA ASN A 64 -12.024 -1.131 -2.389 1.00 1.51 C ATOM 897 C ASN A 64 -11.039 0.021 -2.307 1.00 1.16 C ATOM 898 O ASN A 64 -10.343 0.312 -3.271 1.00 1.11 O ATOM 899 CB ASN A 64 -13.402 -0.604 -2.797 1.00 1.72 C ATOM 900 CG ASN A 64 -13.380 0.151 -4.117 1.00 2.37 C ATOM 901 OD1 ASN A 64 -13.232 1.373 -4.144 1.00 3.10 O ATOM 902 ND2 ASN A 64 -13.518 -0.568 -5.220 1.00 2.83 N ATOM 0 H ASN A 64 -12.901 -1.586 -0.542 1.00 1.59 H new ATOM 0 HA ASN A 64 -11.684 -1.840 -3.144 1.00 1.51 H new ATOM 0 HB2 ASN A 64 -14.097 -1.440 -2.874 1.00 1.72 H new ATOM 0 HB3 ASN A 64 -13.780 0.054 -2.014 1.00 1.72 H new ATOM 0 HD21 ASN A 64 -13.504 -0.111 -6.132 1.00 2.83 H new ATOM 0 HD22 ASN A 64 -13.639 -1.579 -5.158 1.00 2.83 H new ATOM 909 N ASN A 65 -10.947 0.641 -1.133 1.00 0.99 N ATOM 910 CA ASN A 65 -10.165 1.858 -0.960 1.00 0.74 C ATOM 911 C ASN A 65 -8.687 1.566 -1.177 1.00 0.69 C ATOM 912 O ASN A 65 -7.927 2.431 -1.604 1.00 0.60 O ATOM 913 CB ASN A 65 -10.374 2.457 0.436 1.00 0.74 C ATOM 914 CG ASN A 65 -11.831 2.469 0.896 1.00 0.95 C ATOM 915 OD1 ASN A 65 -12.609 1.564 0.595 1.00 1.34 O ATOM 916 ND2 ASN A 65 -12.214 3.498 1.635 1.00 1.13 N ATOM 0 H ASN A 65 -11.408 0.316 -0.283 1.00 0.99 H new ATOM 0 HA ASN A 65 -10.504 2.583 -1.700 1.00 0.74 H new ATOM 0 HB2 ASN A 65 -9.781 1.891 1.155 1.00 0.74 H new ATOM 0 HB3 ASN A 65 -9.993 3.478 0.442 1.00 0.74 H new ATOM 0 HD21 ASN A 65 -13.176 3.555 1.970 1.00 1.13 H new ATOM 0 HD22 ASN A 65 -11.548 4.234 1.869 1.00 1.13 H new ATOM 923 N ALA A 66 -8.294 0.331 -0.892 1.00 0.93 N ATOM 924 CA ALA A 66 -6.914 -0.093 -1.069 1.00 1.07 C ATOM 925 C ALA A 66 -6.599 -0.344 -2.541 1.00 1.02 C ATOM 926 O ALA A 66 -5.511 -0.023 -3.010 1.00 1.05 O ATOM 927 CB ALA A 66 -6.634 -1.335 -0.246 1.00 1.43 C ATOM 0 H ALA A 66 -8.915 -0.396 -0.536 1.00 0.93 H new ATOM 0 HA ALA A 66 -6.266 0.711 -0.720 1.00 1.07 H new ATOM 0 HB1 ALA A 66 -5.597 -1.640 -0.389 1.00 1.43 H new ATOM 0 HB2 ALA A 66 -6.807 -1.119 0.808 1.00 1.43 H new ATOM 0 HB3 ALA A 66 -7.296 -2.140 -0.565 1.00 1.43 H new ATOM 933 N GLU A 67 -7.552 -0.917 -3.270 1.00 1.07 N ATOM 934 CA GLU A 67 -7.370 -1.144 -4.706 1.00 1.12 C ATOM 935 C GLU A 67 -7.589 0.147 -5.477 1.00 0.94 C ATOM 936 O GLU A 67 -7.141 0.297 -6.614 1.00 1.00 O ATOM 937 CB GLU A 67 -8.334 -2.208 -5.220 1.00 1.50 C ATOM 938 CG GLU A 67 -8.201 -3.536 -4.509 1.00 1.80 C ATOM 939 CD GLU A 67 -8.894 -4.661 -5.252 1.00 2.05 C ATOM 940 OE1 GLU A 67 -10.133 -4.771 -5.152 1.00 2.41 O ATOM 941 OE2 GLU A 67 -8.203 -5.431 -5.952 1.00 2.41 O ATOM 0 H GLU A 67 -8.449 -1.230 -2.899 1.00 1.07 H new ATOM 0 HA GLU A 67 -6.349 -1.492 -4.860 1.00 1.12 H new ATOM 0 HB2 GLU A 67 -9.356 -1.846 -5.108 1.00 1.50 H new ATOM 0 HB3 GLU A 67 -8.163 -2.357 -6.286 1.00 1.50 H new ATOM 0 HG2 GLU A 67 -7.145 -3.778 -4.392 1.00 1.80 H new ATOM 0 HG3 GLU A 67 -8.622 -3.452 -3.507 1.00 1.80 H new ATOM 948 N ALA A 68 -8.298 1.062 -4.844 1.00 0.86 N ATOM 949 CA ALA A 68 -8.572 2.371 -5.409 1.00 0.92 C ATOM 950 C ALA A 68 -7.374 3.291 -5.232 1.00 0.89 C ATOM 951 O ALA A 68 -7.254 4.319 -5.898 1.00 1.14 O ATOM 952 CB ALA A 68 -9.794 2.954 -4.726 1.00 1.00 C ATOM 0 H ALA A 68 -8.702 0.918 -3.919 1.00 0.86 H new ATOM 0 HA ALA A 68 -8.763 2.273 -6.478 1.00 0.92 H new ATOM 0 HB1 ALA A 68 -10.009 3.938 -5.143 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -10.649 2.297 -4.887 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -9.604 3.047 -3.657 1.00 1.00 H new ATOM 958 N LEU A 69 -6.494 2.899 -4.324 1.00 0.79 N ATOM 959 CA LEU A 69 -5.311 3.676 -3.984 1.00 1.01 C ATOM 960 C LEU A 69 -4.384 3.880 -5.197 1.00 1.08 C ATOM 961 O LEU A 69 -4.099 5.018 -5.570 1.00 1.37 O ATOM 962 CB LEU A 69 -4.562 2.991 -2.838 1.00 1.16 C ATOM 963 CG LEU A 69 -3.363 3.753 -2.291 1.00 1.47 C ATOM 964 CD1 LEU A 69 -3.815 5.044 -1.633 1.00 2.29 C ATOM 965 CD2 LEU A 69 -2.596 2.885 -1.309 1.00 1.96 C ATOM 0 H LEU A 69 -6.580 2.029 -3.799 1.00 0.79 H new ATOM 0 HA LEU A 69 -5.636 4.667 -3.666 1.00 1.01 H new ATOM 0 HB2 LEU A 69 -5.263 2.817 -2.022 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -4.223 2.013 -3.181 1.00 1.16 H new ATOM 0 HG LEU A 69 -2.698 4.007 -3.117 1.00 1.47 H new ATOM 0 HD11 LEU A 69 -2.947 5.579 -1.246 1.00 2.29 H new ATOM 0 HD12 LEU A 69 -4.327 5.666 -2.367 1.00 2.29 H new ATOM 0 HD13 LEU A 69 -4.495 4.815 -0.813 1.00 2.29 H new ATOM 0 HD21 LEU A 69 -1.740 3.440 -0.924 1.00 1.96 H new ATOM 0 HD22 LEU A 69 -3.249 2.606 -0.482 1.00 1.96 H new ATOM 0 HD23 LEU A 69 -2.247 1.985 -1.815 1.00 1.96 H new ATOM 977 N PRO A 70 -3.915 2.791 -5.852 1.00 0.88 N ATOM 978 CA PRO A 70 -2.983 2.897 -6.983 1.00 0.91 C ATOM 979 C PRO A 70 -3.597 3.601 -8.194 1.00 1.02 C ATOM 980 O PRO A 70 -2.878 4.129 -9.048 1.00 1.20 O ATOM 981 CB PRO A 70 -2.657 1.439 -7.323 1.00 0.77 C ATOM 982 CG PRO A 70 -3.800 0.656 -6.785 1.00 0.78 C ATOM 983 CD PRO A 70 -4.244 1.383 -5.554 1.00 0.78 C ATOM 0 HA PRO A 70 -2.109 3.495 -6.724 1.00 0.91 H new ATOM 0 HB2 PRO A 70 -2.553 1.298 -8.399 1.00 0.77 H new ATOM 0 HB3 PRO A 70 -1.716 1.128 -6.868 1.00 0.77 H new ATOM 0 HG2 PRO A 70 -4.608 0.591 -7.514 1.00 0.78 H new ATOM 0 HG3 PRO A 70 -3.499 -0.365 -6.550 1.00 0.78 H new ATOM 0 HD2 PRO A 70 -5.310 1.249 -5.371 1.00 0.78 H new ATOM 0 HD3 PRO A 70 -3.721 1.027 -4.666 1.00 0.78 H new ATOM 991 N GLY A 71 -4.925 3.617 -8.250 1.00 1.06 N ATOM 992 CA GLY A 71 -5.623 4.192 -9.387 1.00 1.36 C ATOM 993 C GLY A 71 -5.329 5.669 -9.570 1.00 1.09 C ATOM 994 O GLY A 71 -5.085 6.125 -10.686 1.00 1.18 O ATOM 0 H GLY A 71 -5.534 3.240 -7.524 1.00 1.06 H new ATOM 0 HA2 GLY A 71 -5.339 3.655 -10.292 1.00 1.36 H new ATOM 0 HA3 GLY A 71 -6.696 4.053 -9.257 1.00 1.36 H new ATOM 998 N LYS A 72 -5.329 6.414 -8.473 1.00 0.90 N ATOM 999 CA LYS A 72 -5.103 7.856 -8.524 1.00 0.78 C ATOM 1000 C LYS A 72 -3.615 8.215 -8.549 1.00 0.73 C ATOM 1001 O LYS A 72 -3.229 9.310 -8.143 1.00 0.99 O ATOM 1002 CB LYS A 72 -5.794 8.555 -7.351 1.00 0.76 C ATOM 1003 CG LYS A 72 -7.246 8.918 -7.630 1.00 1.18 C ATOM 1004 CD LYS A 72 -8.129 7.688 -7.781 1.00 1.40 C ATOM 1005 CE LYS A 72 -8.533 7.123 -6.430 1.00 2.07 C ATOM 1006 NZ LYS A 72 -9.525 6.027 -6.571 1.00 2.61 N ATOM 0 H LYS A 72 -5.483 6.045 -7.535 1.00 0.90 H new ATOM 0 HA LYS A 72 -5.539 8.209 -9.459 1.00 0.78 H new ATOM 0 HB2 LYS A 72 -5.752 7.906 -6.476 1.00 0.76 H new ATOM 0 HB3 LYS A 72 -5.242 9.462 -7.103 1.00 0.76 H new ATOM 0 HG2 LYS A 72 -7.626 9.538 -6.818 1.00 1.18 H new ATOM 0 HG3 LYS A 72 -7.301 9.516 -8.540 1.00 1.18 H new ATOM 0 HD2 LYS A 72 -9.022 7.948 -8.350 1.00 1.40 H new ATOM 0 HD3 LYS A 72 -7.598 6.926 -8.351 1.00 1.40 H new ATOM 0 HE2 LYS A 72 -7.649 6.750 -5.912 1.00 2.07 H new ATOM 0 HE3 LYS A 72 -8.953 7.918 -5.813 1.00 2.07 H new ATOM 0 HZ1 LYS A 72 -10.193 6.059 -5.774 1.00 2.61 H new ATOM 0 HZ2 LYS A 72 -10.046 6.143 -7.464 1.00 2.61 H new ATOM 0 HZ3 LYS A 72 -9.032 5.111 -6.574 1.00 2.61 H new ATOM 1020 N CYS A 73 -2.783 7.304 -9.038 1.00 0.63 N ATOM 1021 CA CYS A 73 -1.380 7.620 -9.263 1.00 0.63 C ATOM 1022 C CYS A 73 -0.872 6.914 -10.520 1.00 0.62 C ATOM 1023 O CYS A 73 -0.057 7.461 -11.263 1.00 0.77 O ATOM 1024 CB CYS A 73 -0.522 7.261 -8.045 1.00 0.72 C ATOM 1025 SG CYS A 73 1.047 8.181 -7.954 1.00 1.65 S ATOM 0 H CYS A 73 -3.052 6.351 -9.284 1.00 0.63 H new ATOM 0 HA CYS A 73 -1.296 8.696 -9.413 1.00 0.63 H new ATOM 0 HB2 CYS A 73 -1.097 7.451 -7.139 1.00 0.72 H new ATOM 0 HB3 CYS A 73 -0.305 6.193 -8.067 1.00 0.72 H new ATOM 1030 N GLY A 74 -1.373 5.707 -10.773 1.00 0.61 N ATOM 1031 CA GLY A 74 -1.025 5.011 -11.997 1.00 0.67 C ATOM 1032 C GLY A 74 -0.088 3.849 -11.759 1.00 0.66 C ATOM 1033 O GLY A 74 0.441 3.266 -12.701 1.00 0.96 O ATOM 0 H GLY A 74 -2.009 5.203 -10.156 1.00 0.61 H new ATOM 0 HA2 GLY A 74 -1.935 4.647 -12.475 1.00 0.67 H new ATOM 0 HA3 GLY A 74 -0.560 5.712 -12.690 1.00 0.67 H new ATOM 1037 N VAL A 75 0.114 3.509 -10.499 1.00 0.55 N ATOM 1038 CA VAL A 75 0.987 2.403 -10.141 1.00 0.61 C ATOM 1039 C VAL A 75 0.223 1.079 -10.165 1.00 0.80 C ATOM 1040 O VAL A 75 -0.346 0.648 -9.167 1.00 1.70 O ATOM 1041 CB VAL A 75 1.659 2.623 -8.765 1.00 0.63 C ATOM 1042 CG1 VAL A 75 2.855 3.551 -8.907 1.00 1.09 C ATOM 1043 CG2 VAL A 75 0.670 3.198 -7.757 1.00 0.51 C ATOM 0 H VAL A 75 -0.315 3.983 -9.704 1.00 0.55 H new ATOM 0 HA VAL A 75 1.780 2.359 -10.888 1.00 0.61 H new ATOM 0 HB VAL A 75 1.998 1.655 -8.397 1.00 0.63 H new ATOM 0 HG11 VAL A 75 3.319 3.698 -7.932 1.00 1.09 H new ATOM 0 HG12 VAL A 75 3.579 3.109 -9.591 1.00 1.09 H new ATOM 0 HG13 VAL A 75 2.525 4.512 -9.300 1.00 1.09 H new ATOM 0 HG21 VAL A 75 1.169 3.342 -6.799 1.00 0.51 H new ATOM 0 HG22 VAL A 75 0.296 4.156 -8.119 1.00 0.51 H new ATOM 0 HG23 VAL A 75 -0.164 2.508 -7.631 1.00 0.51 H new ATOM 1053 N ASN A 76 0.195 0.460 -11.333 1.00 0.78 N ATOM 1054 CA ASN A 76 -0.540 -0.779 -11.536 1.00 0.90 C ATOM 1055 C ASN A 76 0.385 -1.973 -11.355 1.00 0.81 C ATOM 1056 O ASN A 76 1.196 -2.284 -12.225 1.00 0.99 O ATOM 1057 CB ASN A 76 -1.172 -0.808 -12.933 1.00 1.23 C ATOM 1058 CG ASN A 76 -2.077 -2.014 -13.146 1.00 1.70 C ATOM 1059 OD1 ASN A 76 -3.274 -1.962 -12.854 1.00 2.27 O ATOM 1060 ND2 ASN A 76 -1.523 -3.097 -13.670 1.00 2.31 N ATOM 0 H ASN A 76 0.678 0.799 -12.165 1.00 0.78 H new ATOM 0 HA ASN A 76 -1.337 -0.833 -10.794 1.00 0.90 H new ATOM 0 HB2 ASN A 76 -1.748 0.105 -13.085 1.00 1.23 H new ATOM 0 HB3 ASN A 76 -0.382 -0.815 -13.684 1.00 1.23 H new ATOM 0 HD21 ASN A 76 -2.090 -3.926 -13.845 1.00 2.31 H new ATOM 0 HD22 ASN A 76 -0.529 -3.102 -13.898 1.00 2.31 H new ATOM 1067 N ILE A 77 0.275 -2.605 -10.207 1.00 0.78 N ATOM 1068 CA ILE A 77 1.080 -3.780 -9.890 1.00 0.91 C ATOM 1069 C ILE A 77 0.286 -5.067 -10.106 1.00 0.85 C ATOM 1070 O ILE A 77 -0.946 -5.062 -10.073 1.00 0.82 O ATOM 1071 CB ILE A 77 1.621 -3.749 -8.436 1.00 1.19 C ATOM 1072 CG1 ILE A 77 0.509 -3.981 -7.389 1.00 1.12 C ATOM 1073 CG2 ILE A 77 2.338 -2.436 -8.173 1.00 1.83 C ATOM 1074 CD1 ILE A 77 -0.568 -2.913 -7.326 1.00 1.17 C ATOM 0 H ILE A 77 -0.369 -2.327 -9.466 1.00 0.78 H new ATOM 0 HA ILE A 77 1.931 -3.760 -10.571 1.00 0.91 H new ATOM 0 HB ILE A 77 2.328 -4.572 -8.334 1.00 1.19 H new ATOM 0 HG12 ILE A 77 0.033 -4.939 -7.598 1.00 1.12 H new ATOM 0 HG13 ILE A 77 0.972 -4.062 -6.406 1.00 1.12 H new ATOM 0 HG21 ILE A 77 2.714 -2.425 -7.150 1.00 1.83 H new ATOM 0 HG22 ILE A 77 3.172 -2.332 -8.867 1.00 1.83 H new ATOM 0 HG23 ILE A 77 1.644 -1.608 -8.313 1.00 1.83 H new ATOM 0 HD11 ILE A 77 -1.296 -3.176 -6.559 1.00 1.17 H new ATOM 0 HD12 ILE A 77 -0.114 -1.953 -7.082 1.00 1.17 H new ATOM 0 HD13 ILE A 77 -1.068 -2.843 -8.292 1.00 1.17 H new ATOM 1086 N PRO A 78 0.991 -6.182 -10.354 1.00 0.96 N ATOM 1087 CA PRO A 78 0.363 -7.486 -10.582 1.00 1.03 C ATOM 1088 C PRO A 78 -0.219 -8.102 -9.308 1.00 0.91 C ATOM 1089 O PRO A 78 -1.184 -8.865 -9.366 1.00 1.28 O ATOM 1090 CB PRO A 78 1.508 -8.363 -11.117 1.00 1.24 C ATOM 1091 CG PRO A 78 2.646 -7.431 -11.383 1.00 1.35 C ATOM 1092 CD PRO A 78 2.452 -6.259 -10.471 1.00 1.15 C ATOM 0 HA PRO A 78 -0.482 -7.398 -11.265 1.00 1.03 H new ATOM 0 HB2 PRO A 78 1.789 -9.125 -10.390 1.00 1.24 H new ATOM 0 HB3 PRO A 78 1.209 -8.884 -12.026 1.00 1.24 H new ATOM 0 HG2 PRO A 78 3.601 -7.919 -11.191 1.00 1.35 H new ATOM 0 HG3 PRO A 78 2.654 -7.115 -12.426 1.00 1.35 H new ATOM 0 HD2 PRO A 78 2.928 -6.415 -9.503 1.00 1.15 H new ATOM 0 HD3 PRO A 78 2.874 -5.345 -10.890 1.00 1.15 H new ATOM 1100 N TYR A 79 0.370 -7.777 -8.162 1.00 0.89 N ATOM 1101 CA TYR A 79 -0.085 -8.333 -6.890 1.00 0.80 C ATOM 1102 C TYR A 79 -1.149 -7.440 -6.262 1.00 0.85 C ATOM 1103 O TYR A 79 -1.462 -6.377 -6.791 1.00 1.07 O ATOM 1104 CB TYR A 79 1.087 -8.535 -5.920 1.00 0.91 C ATOM 1105 CG TYR A 79 1.922 -7.297 -5.671 1.00 0.81 C ATOM 1106 CD1 TYR A 79 1.462 -6.289 -4.832 1.00 0.99 C ATOM 1107 CD2 TYR A 79 3.162 -7.124 -6.283 1.00 0.84 C ATOM 1108 CE1 TYR A 79 2.208 -5.150 -4.606 1.00 1.13 C ATOM 1109 CE2 TYR A 79 3.914 -5.988 -6.061 1.00 0.99 C ATOM 1110 CZ TYR A 79 3.482 -5.039 -5.207 1.00 1.10 C ATOM 1111 OH TYR A 79 4.175 -3.868 -4.996 1.00 1.38 O ATOM 0 H TYR A 79 1.159 -7.135 -8.086 1.00 0.89 H new ATOM 0 HA TYR A 79 -0.526 -9.309 -7.093 1.00 0.80 H new ATOM 0 HB2 TYR A 79 0.695 -8.890 -4.967 1.00 0.91 H new ATOM 0 HB3 TYR A 79 1.734 -9.320 -6.311 1.00 0.91 H new ATOM 0 HD1 TYR A 79 0.503 -6.399 -4.348 1.00 0.99 H new ATOM 0 HD2 TYR A 79 3.541 -7.891 -6.942 1.00 0.84 H new ATOM 0 HE1 TYR A 79 1.825 -4.357 -3.981 1.00 1.13 H new ATOM 0 HE2 TYR A 79 4.855 -5.859 -6.575 1.00 0.99 H new ATOM 0 HH TYR A 79 5.038 -3.911 -5.459 1.00 1.38 H new ATOM 1121 N LYS A 80 -1.697 -7.863 -5.132 1.00 0.87 N ATOM 1122 CA LYS A 80 -2.769 -7.113 -4.495 1.00 1.11 C ATOM 1123 C LYS A 80 -2.464 -6.795 -3.041 1.00 1.06 C ATOM 1124 O LYS A 80 -1.428 -7.178 -2.506 1.00 1.49 O ATOM 1125 CB LYS A 80 -4.090 -7.874 -4.601 1.00 1.41 C ATOM 1126 CG LYS A 80 -4.683 -7.844 -5.997 1.00 2.02 C ATOM 1127 CD LYS A 80 -4.763 -6.419 -6.515 1.00 2.55 C ATOM 1128 CE LYS A 80 -5.433 -6.348 -7.876 1.00 3.04 C ATOM 1129 NZ LYS A 80 -6.853 -6.785 -7.821 1.00 3.48 N ATOM 0 H LYS A 80 -1.420 -8.713 -4.641 1.00 0.87 H new ATOM 0 HA LYS A 80 -2.855 -6.165 -5.026 1.00 1.11 H new ATOM 0 HB2 LYS A 80 -3.931 -8.910 -4.302 1.00 1.41 H new ATOM 0 HB3 LYS A 80 -4.806 -7.447 -3.899 1.00 1.41 H new ATOM 0 HG2 LYS A 80 -4.073 -8.447 -6.670 1.00 2.02 H new ATOM 0 HG3 LYS A 80 -5.678 -8.288 -5.984 1.00 2.02 H new ATOM 0 HD2 LYS A 80 -5.317 -5.805 -5.805 1.00 2.55 H new ATOM 0 HD3 LYS A 80 -3.759 -6.000 -6.582 1.00 2.55 H new ATOM 0 HE2 LYS A 80 -5.382 -5.326 -8.252 1.00 3.04 H new ATOM 0 HE3 LYS A 80 -4.888 -6.975 -8.582 1.00 3.04 H new ATOM 0 HZ1 LYS A 80 -7.374 -6.374 -8.622 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -6.899 -7.823 -7.874 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -7.281 -6.464 -6.929 1.00 3.48 H new ATOM 1143 N ILE A 81 -3.401 -6.105 -2.408 1.00 1.13 N ATOM 1144 CA ILE A 81 -3.250 -5.643 -1.033 1.00 1.19 C ATOM 1145 C ILE A 81 -3.917 -6.599 -0.048 1.00 1.22 C ATOM 1146 O ILE A 81 -3.976 -6.332 1.150 1.00 1.37 O ATOM 1147 CB ILE A 81 -3.835 -4.218 -0.861 1.00 1.52 C ATOM 1148 CG1 ILE A 81 -5.160 -4.048 -1.626 1.00 2.09 C ATOM 1149 CG2 ILE A 81 -2.830 -3.178 -1.329 1.00 1.88 C ATOM 1150 CD1 ILE A 81 -6.319 -4.853 -1.076 1.00 2.55 C ATOM 0 H ILE A 81 -4.292 -5.848 -2.834 1.00 1.13 H new ATOM 0 HA ILE A 81 -2.182 -5.615 -0.816 1.00 1.19 H new ATOM 0 HB ILE A 81 -4.041 -4.074 0.200 1.00 1.52 H new ATOM 0 HG12 ILE A 81 -5.434 -2.993 -1.620 1.00 2.09 H new ATOM 0 HG13 ILE A 81 -5.001 -4.331 -2.667 1.00 2.09 H new ATOM 0 HG21 ILE A 81 -3.253 -2.181 -1.203 1.00 1.88 H new ATOM 0 HG22 ILE A 81 -1.917 -3.262 -0.739 1.00 1.88 H new ATOM 0 HG23 ILE A 81 -2.598 -3.344 -2.381 1.00 1.88 H new ATOM 0 HD11 ILE A 81 -7.208 -4.669 -1.679 1.00 2.55 H new ATOM 0 HD12 ILE A 81 -6.072 -5.914 -1.108 1.00 2.55 H new ATOM 0 HD13 ILE A 81 -6.512 -4.556 -0.045 1.00 2.55 H new ATOM 1162 N SER A 82 -4.419 -7.709 -0.568 1.00 1.31 N ATOM 1163 CA SER A 82 -5.145 -8.675 0.238 1.00 1.50 C ATOM 1164 C SER A 82 -4.238 -9.356 1.265 1.00 1.47 C ATOM 1165 O SER A 82 -3.023 -9.430 1.090 1.00 1.81 O ATOM 1166 CB SER A 82 -5.781 -9.720 -0.675 1.00 1.79 C ATOM 1167 OG SER A 82 -4.820 -10.268 -1.562 1.00 2.45 O ATOM 0 H SER A 82 -4.335 -7.963 -1.552 1.00 1.31 H new ATOM 0 HA SER A 82 -5.920 -8.143 0.790 1.00 1.50 H new ATOM 0 HB2 SER A 82 -6.221 -10.515 -0.073 1.00 1.79 H new ATOM 0 HB3 SER A 82 -6.591 -9.266 -1.245 1.00 1.79 H new ATOM 0 HG SER A 82 -3.921 -10.007 -1.272 1.00 2.45 H new ATOM 1173 N THR A 83 -4.843 -9.863 2.327 1.00 1.47 N ATOM 1174 CA THR A 83 -4.113 -10.585 3.358 1.00 1.50 C ATOM 1175 C THR A 83 -3.584 -11.926 2.840 1.00 1.59 C ATOM 1176 O THR A 83 -2.736 -12.554 3.468 1.00 1.72 O ATOM 1177 CB THR A 83 -5.010 -10.823 4.590 1.00 1.65 C ATOM 1178 OG1 THR A 83 -6.287 -11.317 4.168 1.00 2.04 O ATOM 1179 CG2 THR A 83 -5.206 -9.543 5.386 1.00 1.68 C ATOM 0 H THR A 83 -5.846 -9.787 2.499 1.00 1.47 H new ATOM 0 HA THR A 83 -3.261 -9.969 3.644 1.00 1.50 H new ATOM 0 HB THR A 83 -4.517 -11.555 5.230 1.00 1.65 H new ATOM 0 HG1 THR A 83 -6.854 -11.469 4.952 1.00 2.04 H new ATOM 0 HG21 THR A 83 -5.843 -9.744 6.248 1.00 1.68 H new ATOM 0 HG22 THR A 83 -4.238 -9.175 5.728 1.00 1.68 H new ATOM 0 HG23 THR A 83 -5.678 -8.790 4.754 1.00 1.68 H new ATOM 1187 N SER A 84 -4.083 -12.350 1.682 1.00 1.68 N ATOM 1188 CA SER A 84 -3.678 -13.619 1.091 1.00 1.82 C ATOM 1189 C SER A 84 -2.655 -13.390 -0.030 1.00 1.55 C ATOM 1190 O SER A 84 -2.337 -14.300 -0.796 1.00 1.77 O ATOM 1191 CB SER A 84 -4.913 -14.352 0.550 1.00 2.22 C ATOM 1192 OG SER A 84 -4.626 -15.709 0.239 1.00 2.76 O ATOM 0 H SER A 84 -4.770 -11.831 1.135 1.00 1.68 H new ATOM 0 HA SER A 84 -3.207 -14.233 1.858 1.00 1.82 H new ATOM 0 HB2 SER A 84 -5.714 -14.310 1.288 1.00 2.22 H new ATOM 0 HB3 SER A 84 -5.276 -13.843 -0.343 1.00 2.22 H new ATOM 0 HG SER A 84 -3.742 -15.769 -0.179 1.00 2.76 H new ATOM 1198 N THR A 85 -2.138 -12.169 -0.114 1.00 1.28 N ATOM 1199 CA THR A 85 -1.152 -11.823 -1.128 1.00 1.11 C ATOM 1200 C THR A 85 0.189 -12.496 -0.844 1.00 0.96 C ATOM 1201 O THR A 85 0.599 -12.629 0.314 1.00 1.52 O ATOM 1202 CB THR A 85 -0.951 -10.294 -1.203 1.00 1.30 C ATOM 1203 OG1 THR A 85 -2.189 -9.651 -1.536 1.00 2.05 O ATOM 1204 CG2 THR A 85 0.105 -9.911 -2.233 1.00 0.91 C ATOM 0 H THR A 85 -2.387 -11.402 0.510 1.00 1.28 H new ATOM 0 HA THR A 85 -1.532 -12.181 -2.085 1.00 1.11 H new ATOM 0 HB THR A 85 -0.608 -9.962 -0.223 1.00 1.30 H new ATOM 0 HG1 THR A 85 -2.021 -8.710 -1.754 1.00 2.05 H new ATOM 0 HG21 THR A 85 0.216 -8.827 -2.254 1.00 0.91 H new ATOM 0 HG22 THR A 85 1.058 -10.368 -1.965 1.00 0.91 H new ATOM 0 HG23 THR A 85 -0.202 -10.264 -3.218 1.00 0.91 H new ATOM 1212 N ASN A 86 0.846 -12.940 -1.907 1.00 1.23 N ATOM 1213 CA ASN A 86 2.181 -13.507 -1.809 1.00 1.36 C ATOM 1214 C ASN A 86 3.162 -12.456 -1.302 1.00 1.10 C ATOM 1215 O ASN A 86 3.303 -11.388 -1.897 1.00 1.53 O ATOM 1216 CB ASN A 86 2.628 -14.037 -3.173 1.00 1.81 C ATOM 1217 CG ASN A 86 4.025 -14.630 -3.141 1.00 2.40 C ATOM 1218 OD1 ASN A 86 5.011 -13.928 -3.368 1.00 3.05 O ATOM 1219 ND2 ASN A 86 4.120 -15.918 -2.861 1.00 2.73 N ATOM 0 H ASN A 86 0.470 -12.917 -2.855 1.00 1.23 H new ATOM 0 HA ASN A 86 2.161 -14.336 -1.101 1.00 1.36 H new ATOM 0 HB2 ASN A 86 1.923 -14.796 -3.512 1.00 1.81 H new ATOM 0 HB3 ASN A 86 2.598 -13.226 -3.901 1.00 1.81 H new ATOM 0 HD21 ASN A 86 5.036 -16.366 -2.827 1.00 2.73 H new ATOM 0 HD22 ASN A 86 3.278 -16.464 -2.679 1.00 2.73 H new ATOM 1226 N CYS A 87 3.824 -12.755 -0.198 1.00 0.87 N ATOM 1227 CA CYS A 87 4.732 -11.804 0.422 1.00 0.72 C ATOM 1228 C CYS A 87 6.143 -12.377 0.548 1.00 0.83 C ATOM 1229 O CYS A 87 7.131 -11.669 0.363 1.00 1.10 O ATOM 1230 CB CYS A 87 4.195 -11.392 1.797 1.00 0.90 C ATOM 1231 SG CYS A 87 5.287 -10.280 2.731 1.00 1.71 S ATOM 0 H CYS A 87 3.750 -13.649 0.288 1.00 0.87 H new ATOM 0 HA CYS A 87 4.792 -10.924 -0.218 1.00 0.72 H new ATOM 0 HB2 CYS A 87 3.229 -10.905 1.665 1.00 0.90 H new ATOM 0 HB3 CYS A 87 4.020 -12.291 2.389 1.00 0.90 H new ATOM 1236 N ASN A 88 6.240 -13.672 0.820 1.00 0.91 N ATOM 1237 CA ASN A 88 7.538 -14.297 1.076 1.00 1.09 C ATOM 1238 C ASN A 88 8.219 -14.736 -0.217 1.00 1.10 C ATOM 1239 O ASN A 88 9.174 -15.512 -0.192 1.00 1.24 O ATOM 1240 CB ASN A 88 7.385 -15.495 2.021 1.00 1.38 C ATOM 1241 CG ASN A 88 6.435 -16.551 1.491 1.00 2.04 C ATOM 1242 OD1 ASN A 88 5.232 -16.498 1.748 1.00 2.76 O ATOM 1243 ND2 ASN A 88 6.959 -17.516 0.753 1.00 2.55 N ATOM 0 H ASN A 88 5.444 -14.308 0.870 1.00 0.91 H new ATOM 0 HA ASN A 88 8.170 -13.547 1.551 1.00 1.09 H new ATOM 0 HB2 ASN A 88 8.363 -15.946 2.189 1.00 1.38 H new ATOM 0 HB3 ASN A 88 7.026 -15.144 2.988 1.00 1.38 H new ATOM 0 HD21 ASN A 88 6.361 -18.251 0.375 1.00 2.55 H new ATOM 0 HD22 ASN A 88 7.961 -17.525 0.562 1.00 2.55 H new ATOM 1250 N SER A 89 7.735 -14.239 -1.345 1.00 1.12 N ATOM 1251 CA SER A 89 8.351 -14.544 -2.627 1.00 1.29 C ATOM 1252 C SER A 89 8.517 -13.275 -3.457 1.00 1.42 C ATOM 1253 O SER A 89 9.591 -12.677 -3.447 1.00 2.21 O ATOM 1254 CB SER A 89 7.527 -15.583 -3.388 1.00 1.53 C ATOM 1255 OG SER A 89 7.250 -16.705 -2.568 1.00 2.11 O ATOM 0 H SER A 89 6.922 -13.626 -1.399 1.00 1.12 H new ATOM 0 HA SER A 89 9.340 -14.963 -2.441 1.00 1.29 H new ATOM 0 HB2 SER A 89 6.593 -15.135 -3.727 1.00 1.53 H new ATOM 0 HB3 SER A 89 8.069 -15.902 -4.278 1.00 1.53 H new ATOM 0 HG SER A 89 6.863 -17.421 -3.113 1.00 2.11 H new ATOM 1261 N ILE A 90 7.425 -12.866 -4.123 1.00 1.14 N ATOM 1262 CA ILE A 90 7.377 -11.687 -5.005 1.00 1.35 C ATOM 1263 C ILE A 90 8.709 -11.368 -5.690 1.00 1.76 C ATOM 1264 O ILE A 90 8.994 -11.904 -6.763 1.00 2.17 O ATOM 1265 CB ILE A 90 6.824 -10.428 -4.287 1.00 1.10 C ATOM 1266 CG1 ILE A 90 7.292 -10.353 -2.824 1.00 1.08 C ATOM 1267 CG2 ILE A 90 5.304 -10.413 -4.362 1.00 1.14 C ATOM 1268 CD1 ILE A 90 6.708 -9.185 -2.059 1.00 0.97 C ATOM 0 H ILE A 90 6.532 -13.355 -4.063 1.00 1.14 H new ATOM 0 HA ILE A 90 6.677 -11.968 -5.792 1.00 1.35 H new ATOM 0 HB ILE A 90 7.218 -9.550 -4.799 1.00 1.10 H new ATOM 0 HG12 ILE A 90 7.022 -11.280 -2.317 1.00 1.08 H new ATOM 0 HG13 ILE A 90 8.380 -10.283 -2.803 1.00 1.08 H new ATOM 0 HG21 ILE A 90 4.923 -9.526 -3.856 1.00 1.14 H new ATOM 0 HG22 ILE A 90 4.991 -10.397 -5.406 1.00 1.14 H new ATOM 0 HG23 ILE A 90 4.907 -11.305 -3.878 1.00 1.14 H new ATOM 0 HD11 ILE A 90 7.083 -9.197 -1.035 1.00 0.97 H new ATOM 0 HD12 ILE A 90 6.999 -8.252 -2.541 1.00 0.97 H new ATOM 0 HD13 ILE A 90 5.621 -9.264 -2.048 1.00 0.97 H new ATOM 1280 N ASN A 91 9.499 -10.494 -5.065 1.00 2.27 N ATOM 1281 CA ASN A 91 10.813 -10.093 -5.564 1.00 2.91 C ATOM 1282 C ASN A 91 10.677 -9.269 -6.838 1.00 3.60 C ATOM 1283 O ASN A 91 10.646 -9.863 -7.935 1.00 4.24 O ATOM 1284 CB ASN A 91 11.716 -11.310 -5.812 1.00 3.41 C ATOM 1285 CG ASN A 91 13.114 -10.922 -6.266 1.00 4.21 C ATOM 1286 OD1 ASN A 91 14.020 -10.735 -5.450 1.00 4.78 O ATOM 1287 ND2 ASN A 91 13.304 -10.804 -7.571 1.00 4.68 N ATOM 1288 OXT ASN A 91 10.585 -8.033 -6.730 1.00 3.95 O ATOM 0 H ASN A 91 9.241 -10.040 -4.189 1.00 2.27 H new ATOM 0 HA ASN A 91 11.281 -9.478 -4.796 1.00 2.91 H new ATOM 0 HB2 ASN A 91 11.786 -11.898 -4.897 1.00 3.41 H new ATOM 0 HB3 ASN A 91 11.258 -11.949 -6.567 1.00 3.41 H new ATOM 0 HD21 ASN A 91 14.224 -10.551 -7.932 1.00 4.68 H new ATOM 0 HD22 ASN A 91 12.530 -10.966 -8.216 1.00 4.68 H new TER 1295 ASN A 91