USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=23 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 86 ASN : amide:sc= 0.854 K(o=2.8,f=-1.1) USER MOD Set 1.2: A 89 SER OG : rot -108:sc= 1.95 USER MOD Set 2.1: A 33 ASN : amide:sc= -0.249 K(o=0.12,f=-1.9!) USER MOD Set 2.2: A 37 SER OG : rot -27:sc= 0.366 USER MOD Set 3.1: A 1 MET N :NH3+ -164:sc= 1.26 (180deg=1.11) USER MOD Set 3.2: A 5 GLN : amide:sc= -1.66! C(o=-0.4!,f=-3.9!) USER MOD Single : A 1 MET CE :methyl -176:sc= -5.64! (180deg=-6.06!) USER MOD Single : A 2 THR OG1 : rot 180:sc=-0.00288 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -4.8! C(o=-6.3!,f=-4.8!) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0259 F(o=-1.1,f=-0.026) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.684 F(o=-1.4!,f=-0.68) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= -0.0114 (180deg=-0.158) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 73:sc= 0.936 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 38 SER OG : rot 25:sc= 1.08 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.345 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 139:sc= 1.22 (180deg=1.14) USER MOD Single : A 62 ASN : amide:sc= 0.55 K(o=0.55,f=-0.76) USER MOD Single : A 64 ASN : amide:sc= -0.0082 K(o=-0.0082,f=-1.5) USER MOD Single : A 65 ASN : amide:sc= 0.787 K(o=0.79,f=-0.81) USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= -0.996 (180deg=-1.08) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 79 TYR OH : rot 80:sc= -1.86! USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0591) USER MOD Single : A 82 SER OG : rot -16:sc= 1.24 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00363 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0514 USER MOD Single : A 85 THR OG1 : rot 154:sc= 1.26 USER MOD Single : A 88 ASN : amide:sc= -0.589 K(o=-0.59,f=-8.2!) USER MOD Single : A 91 ASN : amide:sc=-0.00294 X(o=-0.0029,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.180 -0.807 5.026 1.00 1.70 N ATOM 2 CA MET A 1 11.757 -1.105 5.289 1.00 1.61 C ATOM 3 C MET A 1 11.459 -1.244 6.763 1.00 0.88 C ATOM 4 O MET A 1 12.150 -1.933 7.512 1.00 1.16 O ATOM 5 CB MET A 1 11.334 -2.387 4.571 1.00 2.50 C ATOM 6 CG MET A 1 10.039 -2.979 5.103 1.00 2.77 C ATOM 7 SD MET A 1 8.615 -1.907 4.867 1.00 2.91 S ATOM 8 CE MET A 1 7.376 -2.812 5.793 1.00 2.61 C ATOM 0 H1 MET A 1 13.287 -0.457 4.053 1.00 1.70 H new ATOM 0 H2 MET A 1 13.512 -0.082 5.693 1.00 1.70 H new ATOM 0 H3 MET A 1 13.744 -1.672 5.147 1.00 1.70 H new ATOM 0 HA MET A 1 11.188 -0.257 4.907 1.00 1.61 H new ATOM 0 HB2 MET A 1 11.219 -2.178 3.507 1.00 2.50 H new ATOM 0 HB3 MET A 1 12.129 -3.127 4.666 1.00 2.50 H new ATOM 0 HG2 MET A 1 9.853 -3.932 4.608 1.00 2.77 H new ATOM 0 HG3 MET A 1 10.154 -3.189 6.166 1.00 2.77 H new ATOM 0 HE1 MET A 1 6.410 -2.317 5.689 1.00 2.61 H new ATOM 0 HE2 MET A 1 7.306 -3.830 5.409 1.00 2.61 H new ATOM 0 HE3 MET A 1 7.657 -2.841 6.846 1.00 2.61 H new ATOM 20 N THR A 2 10.416 -0.552 7.155 1.00 0.65 N ATOM 21 CA THR A 2 9.755 -0.774 8.412 1.00 1.13 C ATOM 22 C THR A 2 8.272 -0.622 8.147 1.00 1.10 C ATOM 23 O THR A 2 7.898 -0.010 7.146 1.00 1.86 O ATOM 24 CB THR A 2 10.225 0.220 9.501 1.00 1.75 C ATOM 25 OG1 THR A 2 9.494 0.004 10.712 1.00 2.36 O ATOM 26 CG2 THR A 2 10.051 1.664 9.052 1.00 2.63 C ATOM 0 H THR A 2 9.998 0.193 6.598 1.00 0.65 H new ATOM 0 HA THR A 2 9.994 -1.766 8.794 1.00 1.13 H new ATOM 0 HB THR A 2 11.286 0.042 9.675 1.00 1.75 H new ATOM 0 HG1 THR A 2 9.799 0.636 11.396 1.00 2.36 H new ATOM 0 HG21 THR A 2 10.391 2.334 9.842 1.00 2.63 H new ATOM 0 HG22 THR A 2 10.638 1.838 8.150 1.00 2.63 H new ATOM 0 HG23 THR A 2 8.999 1.855 8.842 1.00 2.63 H new ATOM 34 N CYS A 3 7.419 -1.165 8.995 1.00 0.81 N ATOM 35 CA CYS A 3 5.980 -1.038 8.781 1.00 0.69 C ATOM 36 C CYS A 3 5.548 0.415 8.988 1.00 0.65 C ATOM 37 O CYS A 3 4.365 0.741 8.980 1.00 0.79 O ATOM 38 CB CYS A 3 5.203 -1.981 9.700 1.00 0.76 C ATOM 39 SG CYS A 3 3.506 -2.340 9.132 1.00 0.70 S ATOM 0 H CYS A 3 7.686 -1.691 9.827 1.00 0.81 H new ATOM 0 HA CYS A 3 5.753 -1.324 7.754 1.00 0.69 H new ATOM 0 HB2 CYS A 3 5.751 -2.919 9.789 1.00 0.76 H new ATOM 0 HB3 CYS A 3 5.156 -1.543 10.697 1.00 0.76 H new ATOM 44 N GLY A 4 6.540 1.287 9.149 1.00 0.57 N ATOM 45 CA GLY A 4 6.300 2.711 9.199 1.00 0.56 C ATOM 46 C GLY A 4 6.546 3.322 7.840 1.00 0.51 C ATOM 47 O GLY A 4 6.036 4.392 7.513 1.00 0.53 O ATOM 0 H GLY A 4 7.520 1.022 9.247 1.00 0.57 H new ATOM 0 HA2 GLY A 4 5.275 2.905 9.514 1.00 0.56 H new ATOM 0 HA3 GLY A 4 6.954 3.173 9.939 1.00 0.56 H new ATOM 51 N GLN A 5 7.324 2.604 7.037 1.00 0.52 N ATOM 52 CA GLN A 5 7.590 2.998 5.669 1.00 0.51 C ATOM 53 C GLN A 5 6.353 2.741 4.830 1.00 0.46 C ATOM 54 O GLN A 5 5.907 3.604 4.074 1.00 0.52 O ATOM 55 CB GLN A 5 8.783 2.217 5.118 1.00 0.60 C ATOM 56 CG GLN A 5 9.058 2.463 3.643 1.00 0.62 C ATOM 57 CD GLN A 5 10.258 1.688 3.145 1.00 0.81 C ATOM 58 OE1 GLN A 5 11.203 1.450 3.895 1.00 1.25 O ATOM 59 NE2 GLN A 5 10.217 1.273 1.890 1.00 0.96 N ATOM 0 H GLN A 5 7.783 1.738 7.319 1.00 0.52 H new ATOM 0 HA GLN A 5 7.834 4.060 5.635 1.00 0.51 H new ATOM 0 HB2 GLN A 5 9.672 2.480 5.691 1.00 0.60 H new ATOM 0 HB3 GLN A 5 8.609 1.152 5.271 1.00 0.60 H new ATOM 0 HG2 GLN A 5 8.180 2.183 3.061 1.00 0.62 H new ATOM 0 HG3 GLN A 5 9.223 3.528 3.479 1.00 0.62 H new ATOM 0 HE21 GLN A 5 9.411 1.495 1.305 1.00 0.96 H new ATOM 0 HE22 GLN A 5 10.991 0.731 1.507 1.00 0.96 H new ATOM 68 N VAL A 6 5.784 1.549 4.994 1.00 0.43 N ATOM 69 CA VAL A 6 4.554 1.195 4.296 1.00 0.44 C ATOM 70 C VAL A 6 3.375 1.953 4.900 1.00 0.44 C ATOM 71 O VAL A 6 2.354 2.161 4.251 1.00 0.49 O ATOM 72 CB VAL A 6 4.269 -0.327 4.344 1.00 0.49 C ATOM 73 CG1 VAL A 6 3.813 -0.780 5.721 1.00 1.02 C ATOM 74 CG2 VAL A 6 3.239 -0.715 3.303 1.00 1.12 C ATOM 0 H VAL A 6 6.153 0.817 5.601 1.00 0.43 H new ATOM 0 HA VAL A 6 4.684 1.475 3.251 1.00 0.44 H new ATOM 0 HB VAL A 6 5.209 -0.833 4.122 1.00 0.49 H new ATOM 0 HG11 VAL A 6 3.625 -1.854 5.707 1.00 1.02 H new ATOM 0 HG12 VAL A 6 4.589 -0.557 6.453 1.00 1.02 H new ATOM 0 HG13 VAL A 6 2.897 -0.255 5.992 1.00 1.02 H new ATOM 0 HG21 VAL A 6 3.055 -1.788 3.355 1.00 1.12 H new ATOM 0 HG22 VAL A 6 2.310 -0.178 3.493 1.00 1.12 H new ATOM 0 HG23 VAL A 6 3.610 -0.459 2.311 1.00 1.12 H new ATOM 84 N GLN A 7 3.532 2.378 6.149 1.00 0.47 N ATOM 85 CA GLN A 7 2.499 3.143 6.827 1.00 0.54 C ATOM 86 C GLN A 7 2.282 4.470 6.118 1.00 0.58 C ATOM 87 O GLN A 7 1.164 4.966 6.058 1.00 0.70 O ATOM 88 CB GLN A 7 2.869 3.372 8.293 1.00 0.66 C ATOM 89 CG GLN A 7 1.811 4.122 9.084 1.00 0.98 C ATOM 90 CD GLN A 7 2.093 4.126 10.571 1.00 1.27 C ATOM 91 OE1 GLN A 7 2.785 5.002 11.087 1.00 1.97 O ATOM 92 NE2 GLN A 7 1.555 3.143 11.274 1.00 1.69 N ATOM 0 H GLN A 7 4.366 2.204 6.710 1.00 0.47 H new ATOM 0 HA GLN A 7 1.570 2.574 6.798 1.00 0.54 H new ATOM 0 HB2 GLN A 7 3.048 2.407 8.768 1.00 0.66 H new ATOM 0 HB3 GLN A 7 3.805 3.928 8.339 1.00 0.66 H new ATOM 0 HG2 GLN A 7 1.755 5.150 8.725 1.00 0.98 H new ATOM 0 HG3 GLN A 7 0.837 3.668 8.903 1.00 0.98 H new ATOM 0 HE21 GLN A 7 0.987 2.435 10.809 1.00 1.69 H new ATOM 0 HE22 GLN A 7 1.708 3.093 12.281 1.00 1.69 H new ATOM 101 N GLY A 8 3.358 5.023 5.562 1.00 0.60 N ATOM 102 CA GLY A 8 3.257 6.257 4.802 1.00 0.70 C ATOM 103 C GLY A 8 2.352 6.112 3.593 1.00 0.66 C ATOM 104 O GLY A 8 1.712 7.072 3.171 1.00 0.82 O ATOM 0 H GLY A 8 4.300 4.637 5.625 1.00 0.60 H new ATOM 0 HA2 GLY A 8 2.875 7.049 5.447 1.00 0.70 H new ATOM 0 HA3 GLY A 8 4.251 6.563 4.475 1.00 0.70 H new ATOM 108 N ASN A 9 2.294 4.899 3.049 1.00 0.58 N ATOM 109 CA ASN A 9 1.422 4.594 1.919 1.00 0.63 C ATOM 110 C ASN A 9 -0.040 4.789 2.311 1.00 0.62 C ATOM 111 O ASN A 9 -0.797 5.475 1.627 1.00 0.78 O ATOM 112 CB ASN A 9 1.666 3.148 1.458 1.00 0.75 C ATOM 113 CG ASN A 9 0.685 2.672 0.401 1.00 1.30 C ATOM 114 OD1 ASN A 9 1.079 2.764 -0.855 1.00 1.86 O flip ATOM 115 ND2 ASN A 9 -0.399 2.190 0.714 1.00 1.86 N flip ATOM 0 H ASN A 9 2.846 4.106 3.376 1.00 0.58 H new ATOM 0 HA ASN A 9 1.649 5.273 1.097 1.00 0.63 H new ATOM 0 HB2 ASN A 9 2.679 3.067 1.064 1.00 0.75 H new ATOM 0 HB3 ASN A 9 1.606 2.485 2.321 1.00 0.75 H new ATOM 0 HD21 ASN A 9 -0.669 2.136 1.696 1.00 1.86 H new ATOM 0 HD22 ASN A 9 -1.031 1.843 -0.008 1.00 1.86 H new ATOM 122 N LEU A 10 -0.416 4.209 3.442 1.00 0.56 N ATOM 123 CA LEU A 10 -1.792 4.278 3.915 1.00 0.66 C ATOM 124 C LEU A 10 -2.078 5.621 4.583 1.00 0.65 C ATOM 125 O LEU A 10 -3.161 6.173 4.429 1.00 0.72 O ATOM 126 CB LEU A 10 -2.093 3.139 4.904 1.00 0.89 C ATOM 127 CG LEU A 10 -2.155 1.719 4.312 1.00 1.00 C ATOM 128 CD1 LEU A 10 -3.051 1.682 3.083 1.00 1.45 C ATOM 129 CD2 LEU A 10 -0.763 1.197 3.984 1.00 1.73 C ATOM 0 H LEU A 10 0.213 3.685 4.050 1.00 0.56 H new ATOM 0 HA LEU A 10 -2.439 4.172 3.044 1.00 0.66 H new ATOM 0 HB2 LEU A 10 -1.330 3.152 5.683 1.00 0.89 H new ATOM 0 HB3 LEU A 10 -3.047 3.350 5.388 1.00 0.89 H new ATOM 0 HG LEU A 10 -2.587 1.063 5.067 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -3.078 0.668 2.683 1.00 1.45 H new ATOM 0 HD12 LEU A 10 -4.059 1.991 3.358 1.00 1.45 H new ATOM 0 HD13 LEU A 10 -2.658 2.360 2.326 1.00 1.45 H new ATOM 0 HD21 LEU A 10 -0.840 0.193 3.568 1.00 1.73 H new ATOM 0 HD22 LEU A 10 -0.289 1.856 3.256 1.00 1.73 H new ATOM 0 HD23 LEU A 10 -0.162 1.168 4.893 1.00 1.73 H new ATOM 141 N ALA A 11 -1.094 6.150 5.305 1.00 0.62 N ATOM 142 CA ALA A 11 -1.279 7.343 6.131 1.00 0.69 C ATOM 143 C ALA A 11 -1.848 8.523 5.350 1.00 0.63 C ATOM 144 O ALA A 11 -2.741 9.218 5.833 1.00 0.72 O ATOM 145 CB ALA A 11 0.033 7.741 6.790 1.00 0.77 C ATOM 0 H ALA A 11 -0.149 5.767 5.335 1.00 0.62 H new ATOM 0 HA ALA A 11 -2.011 7.082 6.896 1.00 0.69 H new ATOM 0 HB1 ALA A 11 -0.122 8.630 7.401 1.00 0.77 H new ATOM 0 HB2 ALA A 11 0.386 6.925 7.420 1.00 0.77 H new ATOM 0 HB3 ALA A 11 0.776 7.954 6.022 1.00 0.77 H new ATOM 151 N GLN A 12 -1.354 8.744 4.144 1.00 0.56 N ATOM 152 CA GLN A 12 -1.755 9.916 3.371 1.00 0.53 C ATOM 153 C GLN A 12 -2.997 9.626 2.552 1.00 0.52 C ATOM 154 O GLN A 12 -3.527 10.500 1.866 1.00 0.60 O ATOM 155 CB GLN A 12 -0.619 10.363 2.454 1.00 0.56 C ATOM 156 CG GLN A 12 0.764 10.062 3.012 1.00 0.52 C ATOM 157 CD GLN A 12 1.897 10.713 2.239 1.00 1.30 C ATOM 158 OE1 GLN A 12 1.668 11.913 1.737 1.00 2.18 O flip ATOM 159 NE2 GLN A 12 2.989 10.152 2.131 1.00 1.88 N flip ATOM 0 H GLN A 12 -0.680 8.136 3.679 1.00 0.56 H new ATOM 0 HA GLN A 12 -1.983 10.719 4.072 1.00 0.53 H new ATOM 0 HB2 GLN A 12 -0.727 9.871 1.488 1.00 0.56 H new ATOM 0 HB3 GLN A 12 -0.706 11.435 2.277 1.00 0.56 H new ATOM 0 HG2 GLN A 12 0.807 10.396 4.049 1.00 0.52 H new ATOM 0 HG3 GLN A 12 0.915 8.983 3.018 1.00 0.52 H new ATOM 0 HE21 GLN A 12 3.128 9.225 2.532 1.00 1.88 H new ATOM 0 HE22 GLN A 12 3.754 10.615 1.640 1.00 1.88 H new ATOM 168 N CYS A 13 -3.452 8.398 2.624 1.00 0.52 N ATOM 169 CA CYS A 13 -4.684 8.009 1.980 1.00 0.56 C ATOM 170 C CYS A 13 -5.721 7.643 3.002 1.00 0.53 C ATOM 171 O CYS A 13 -6.818 7.249 2.643 1.00 0.56 O ATOM 172 CB CYS A 13 -4.450 6.849 1.031 1.00 0.69 C ATOM 173 SG CYS A 13 -4.055 7.365 -0.662 1.00 1.23 S ATOM 0 H CYS A 13 -2.983 7.645 3.127 1.00 0.52 H new ATOM 0 HA CYS A 13 -5.049 8.859 1.403 1.00 0.56 H new ATOM 0 HB2 CYS A 13 -3.635 6.235 1.414 1.00 0.69 H new ATOM 0 HB3 CYS A 13 -5.340 6.221 1.012 1.00 0.69 H new ATOM 178 N ILE A 14 -5.371 7.800 4.274 1.00 0.58 N ATOM 179 CA ILE A 14 -6.285 7.486 5.373 1.00 0.67 C ATOM 180 C ILE A 14 -7.615 8.216 5.186 1.00 0.67 C ATOM 181 O ILE A 14 -8.671 7.701 5.550 1.00 0.77 O ATOM 182 CB ILE A 14 -5.663 7.829 6.754 1.00 0.80 C ATOM 183 CG1 ILE A 14 -4.658 6.748 7.160 1.00 0.98 C ATOM 184 CG2 ILE A 14 -6.731 7.985 7.828 1.00 1.04 C ATOM 185 CD1 ILE A 14 -3.947 7.035 8.466 1.00 1.11 C ATOM 0 H ILE A 14 -4.458 8.144 4.573 1.00 0.58 H new ATOM 0 HA ILE A 14 -6.467 6.412 5.354 1.00 0.67 H new ATOM 0 HB ILE A 14 -5.147 8.784 6.660 1.00 0.80 H new ATOM 0 HG12 ILE A 14 -5.178 5.794 7.242 1.00 0.98 H new ATOM 0 HG13 ILE A 14 -3.916 6.639 6.369 1.00 0.98 H new ATOM 0 HG21 ILE A 14 -6.257 8.225 8.780 1.00 1.04 H new ATOM 0 HG22 ILE A 14 -7.413 8.789 7.549 1.00 1.04 H new ATOM 0 HG23 ILE A 14 -7.289 7.053 7.925 1.00 1.04 H new ATOM 0 HD11 ILE A 14 -3.252 6.225 8.687 1.00 1.11 H new ATOM 0 HD12 ILE A 14 -3.398 7.973 8.383 1.00 1.11 H new ATOM 0 HD13 ILE A 14 -4.679 7.114 9.269 1.00 1.11 H new ATOM 197 N GLY A 15 -7.556 9.404 4.592 1.00 0.66 N ATOM 198 CA GLY A 15 -8.775 10.118 4.242 1.00 0.76 C ATOM 199 C GLY A 15 -9.685 9.302 3.351 1.00 0.86 C ATOM 200 O GLY A 15 -10.787 8.936 3.742 1.00 1.45 O ATOM 0 H GLY A 15 -6.691 9.885 4.347 1.00 0.66 H new ATOM 0 HA2 GLY A 15 -9.309 10.388 5.153 1.00 0.76 H new ATOM 0 HA3 GLY A 15 -8.516 11.049 3.737 1.00 0.76 H new ATOM 204 N PHE A 16 -9.208 9.027 2.147 1.00 0.61 N ATOM 205 CA PHE A 16 -9.928 8.204 1.180 1.00 0.60 C ATOM 206 C PHE A 16 -10.169 6.801 1.735 1.00 0.60 C ATOM 207 O PHE A 16 -11.190 6.176 1.471 1.00 0.69 O ATOM 208 CB PHE A 16 -9.107 8.141 -0.105 1.00 0.59 C ATOM 209 CG PHE A 16 -9.507 7.042 -1.050 1.00 0.62 C ATOM 210 CD1 PHE A 16 -10.555 7.222 -1.938 1.00 0.73 C ATOM 211 CD2 PHE A 16 -8.834 5.830 -1.049 1.00 0.71 C ATOM 212 CE1 PHE A 16 -10.926 6.216 -2.804 1.00 0.86 C ATOM 213 CE2 PHE A 16 -9.202 4.820 -1.915 1.00 0.85 C ATOM 214 CZ PHE A 16 -10.240 5.011 -2.794 1.00 0.91 C ATOM 0 H PHE A 16 -8.308 9.368 1.809 1.00 0.61 H new ATOM 0 HA PHE A 16 -10.903 8.646 0.975 1.00 0.60 H new ATOM 0 HB2 PHE A 16 -9.193 9.096 -0.623 1.00 0.59 H new ATOM 0 HB3 PHE A 16 -8.057 8.013 0.156 1.00 0.59 H new ATOM 0 HD1 PHE A 16 -11.087 8.162 -1.952 1.00 0.73 H new ATOM 0 HD2 PHE A 16 -8.014 5.674 -0.364 1.00 0.71 H new ATOM 0 HE1 PHE A 16 -11.748 6.366 -3.488 1.00 0.86 H new ATOM 0 HE2 PHE A 16 -8.673 3.878 -1.901 1.00 0.85 H new ATOM 0 HZ PHE A 16 -10.522 4.223 -3.477 1.00 0.91 H new ATOM 224 N LEU A 17 -9.205 6.331 2.494 1.00 0.56 N ATOM 225 CA LEU A 17 -9.271 5.053 3.183 1.00 0.67 C ATOM 226 C LEU A 17 -10.521 4.978 4.060 1.00 0.79 C ATOM 227 O LEU A 17 -11.246 3.984 4.041 1.00 0.87 O ATOM 228 CB LEU A 17 -8.009 4.923 4.041 1.00 0.74 C ATOM 229 CG LEU A 17 -6.999 3.848 3.639 1.00 0.79 C ATOM 230 CD1 LEU A 17 -7.097 3.498 2.161 1.00 0.96 C ATOM 231 CD2 LEU A 17 -5.593 4.322 3.948 1.00 1.43 C ATOM 0 H LEU A 17 -8.333 6.834 2.656 1.00 0.56 H new ATOM 0 HA LEU A 17 -9.328 4.238 2.462 1.00 0.67 H new ATOM 0 HB2 LEU A 17 -7.497 5.885 4.038 1.00 0.74 H new ATOM 0 HB3 LEU A 17 -8.317 4.730 5.068 1.00 0.74 H new ATOM 0 HG LEU A 17 -7.230 2.951 4.214 1.00 0.79 H new ATOM 0 HD11 LEU A 17 -6.362 2.731 1.919 1.00 0.96 H new ATOM 0 HD12 LEU A 17 -8.097 3.124 1.941 1.00 0.96 H new ATOM 0 HD13 LEU A 17 -6.903 4.388 1.563 1.00 0.96 H new ATOM 0 HD21 LEU A 17 -4.878 3.552 3.659 1.00 1.43 H new ATOM 0 HD22 LEU A 17 -5.387 5.236 3.391 1.00 1.43 H new ATOM 0 HD23 LEU A 17 -5.502 4.520 5.016 1.00 1.43 H new ATOM 243 N GLN A 18 -10.778 6.044 4.810 1.00 0.87 N ATOM 244 CA GLN A 18 -11.936 6.093 5.696 1.00 1.07 C ATOM 245 C GLN A 18 -13.165 6.595 4.960 1.00 1.09 C ATOM 246 O GLN A 18 -14.168 5.893 4.827 1.00 1.20 O ATOM 247 CB GLN A 18 -11.669 7.021 6.882 1.00 1.25 C ATOM 248 CG GLN A 18 -10.591 6.517 7.807 1.00 1.08 C ATOM 249 CD GLN A 18 -10.443 7.350 9.069 1.00 1.33 C ATOM 250 OE1 GLN A 18 -11.517 8.000 9.491 1.00 1.73 O flip ATOM 251 NE2 GLN A 18 -9.364 7.422 9.657 1.00 2.00 N flip ATOM 0 H GLN A 18 -10.201 6.885 4.822 1.00 0.87 H new ATOM 0 HA GLN A 18 -12.114 5.078 6.052 1.00 1.07 H new ATOM 0 HB2 GLN A 18 -11.385 8.004 6.507 1.00 1.25 H new ATOM 0 HB3 GLN A 18 -12.592 7.150 7.448 1.00 1.25 H new ATOM 0 HG2 GLN A 18 -10.813 5.486 8.084 1.00 1.08 H new ATOM 0 HG3 GLN A 18 -9.640 6.506 7.274 1.00 1.08 H new ATOM 0 HE21 GLN A 18 -8.556 6.908 9.305 1.00 2.00 H new ATOM 0 HE22 GLN A 18 -9.278 7.995 10.496 1.00 2.00 H new ATOM 260 N LYS A 19 -13.058 7.824 4.491 1.00 1.06 N ATOM 261 CA LYS A 19 -14.178 8.528 3.871 1.00 1.21 C ATOM 262 C LYS A 19 -14.598 7.887 2.550 1.00 1.34 C ATOM 263 O LYS A 19 -15.782 7.833 2.225 1.00 2.08 O ATOM 264 CB LYS A 19 -13.809 9.988 3.633 1.00 1.41 C ATOM 265 CG LYS A 19 -14.976 10.826 3.149 1.00 1.98 C ATOM 266 CD LYS A 19 -14.542 12.237 2.821 1.00 2.69 C ATOM 267 CE LYS A 19 -13.976 12.948 4.038 1.00 3.29 C ATOM 268 NZ LYS A 19 -14.981 13.088 5.125 1.00 4.09 N ATOM 0 H LYS A 19 -12.195 8.367 4.526 1.00 1.06 H new ATOM 0 HA LYS A 19 -15.022 8.464 4.558 1.00 1.21 H new ATOM 0 HB2 LYS A 19 -13.423 10.414 4.559 1.00 1.41 H new ATOM 0 HB3 LYS A 19 -13.005 10.038 2.899 1.00 1.41 H new ATOM 0 HG2 LYS A 19 -15.416 10.364 2.265 1.00 1.98 H new ATOM 0 HG3 LYS A 19 -15.751 10.851 3.915 1.00 1.98 H new ATOM 0 HD2 LYS A 19 -13.791 12.212 2.032 1.00 2.69 H new ATOM 0 HD3 LYS A 19 -15.392 12.799 2.434 1.00 2.69 H new ATOM 0 HE2 LYS A 19 -13.114 12.395 4.411 1.00 3.29 H new ATOM 0 HE3 LYS A 19 -13.619 13.936 3.746 1.00 3.29 H new ATOM 0 HZ1 LYS A 19 -14.617 13.735 5.853 1.00 4.09 H new ATOM 0 HZ2 LYS A 19 -15.865 13.471 4.733 1.00 4.09 H new ATOM 0 HZ3 LYS A 19 -15.165 12.157 5.550 1.00 4.09 H new ATOM 282 N GLY A 20 -13.627 7.394 1.799 1.00 1.18 N ATOM 283 CA GLY A 20 -13.905 6.904 0.465 1.00 1.47 C ATOM 284 C GLY A 20 -13.982 8.041 -0.530 1.00 1.29 C ATOM 285 O GLY A 20 -14.774 8.005 -1.474 1.00 1.99 O ATOM 0 H GLY A 20 -12.651 7.324 2.088 1.00 1.18 H new ATOM 0 HA2 GLY A 20 -13.126 6.204 0.162 1.00 1.47 H new ATOM 0 HA3 GLY A 20 -14.846 6.353 0.466 1.00 1.47 H new ATOM 289 N GLY A 21 -13.155 9.058 -0.320 1.00 1.10 N ATOM 290 CA GLY A 21 -13.190 10.230 -1.164 1.00 1.37 C ATOM 291 C GLY A 21 -11.829 10.845 -1.362 1.00 1.26 C ATOM 292 O GLY A 21 -11.139 11.148 -0.391 1.00 1.79 O ATOM 0 H GLY A 21 -12.459 9.089 0.425 1.00 1.10 H new ATOM 0 HA2 GLY A 21 -13.607 9.961 -2.134 1.00 1.37 H new ATOM 0 HA3 GLY A 21 -13.858 10.970 -0.723 1.00 1.37 H new ATOM 296 N VAL A 22 -11.463 10.971 -2.637 1.00 1.14 N ATOM 297 CA VAL A 22 -10.277 11.699 -3.121 1.00 1.00 C ATOM 298 C VAL A 22 -8.945 11.117 -2.632 1.00 0.82 C ATOM 299 O VAL A 22 -8.711 10.917 -1.442 1.00 0.87 O ATOM 300 CB VAL A 22 -10.332 13.233 -2.842 1.00 1.11 C ATOM 301 CG1 VAL A 22 -11.688 13.804 -3.217 1.00 1.92 C ATOM 302 CG2 VAL A 22 -9.971 13.602 -1.406 1.00 1.28 C ATOM 0 H VAL A 22 -12.002 10.554 -3.396 1.00 1.14 H new ATOM 0 HA VAL A 22 -10.314 11.556 -4.201 1.00 1.00 H new ATOM 0 HB VAL A 22 -9.568 13.683 -3.476 1.00 1.11 H new ATOM 0 HG11 VAL A 22 -11.701 14.875 -3.013 1.00 1.92 H new ATOM 0 HG12 VAL A 22 -11.874 13.634 -4.278 1.00 1.92 H new ATOM 0 HG13 VAL A 22 -12.464 13.313 -2.630 1.00 1.92 H new ATOM 0 HG21 VAL A 22 -10.030 14.683 -1.282 1.00 1.28 H new ATOM 0 HG22 VAL A 22 -10.668 13.120 -0.720 1.00 1.28 H new ATOM 0 HG23 VAL A 22 -8.957 13.266 -1.188 1.00 1.28 H new ATOM 312 N VAL A 23 -8.070 10.833 -3.590 1.00 0.71 N ATOM 313 CA VAL A 23 -6.718 10.396 -3.287 1.00 0.58 C ATOM 314 C VAL A 23 -5.736 11.499 -3.649 1.00 0.54 C ATOM 315 O VAL A 23 -5.693 11.949 -4.797 1.00 0.58 O ATOM 316 CB VAL A 23 -6.340 9.103 -4.037 1.00 0.58 C ATOM 317 CG1 VAL A 23 -4.925 8.669 -3.684 1.00 0.51 C ATOM 318 CG2 VAL A 23 -7.331 8.002 -3.718 1.00 0.69 C ATOM 0 H VAL A 23 -8.277 10.899 -4.587 1.00 0.71 H new ATOM 0 HA VAL A 23 -6.673 10.181 -2.219 1.00 0.58 H new ATOM 0 HB VAL A 23 -6.375 9.303 -5.108 1.00 0.58 H new ATOM 0 HG11 VAL A 23 -4.679 7.755 -4.224 1.00 0.51 H new ATOM 0 HG12 VAL A 23 -4.223 9.455 -3.963 1.00 0.51 H new ATOM 0 HG13 VAL A 23 -4.857 8.486 -2.612 1.00 0.51 H new ATOM 0 HG21 VAL A 23 -7.052 7.095 -4.254 1.00 0.69 H new ATOM 0 HG22 VAL A 23 -7.325 7.806 -2.646 1.00 0.69 H new ATOM 0 HG23 VAL A 23 -8.330 8.312 -4.024 1.00 0.69 H new ATOM 328 N PRO A 24 -4.959 11.973 -2.674 1.00 0.54 N ATOM 329 CA PRO A 24 -4.022 13.072 -2.874 1.00 0.58 C ATOM 330 C PRO A 24 -2.736 12.619 -3.563 1.00 0.55 C ATOM 331 O PRO A 24 -2.260 11.504 -3.335 1.00 0.47 O ATOM 332 CB PRO A 24 -3.725 13.554 -1.441 1.00 0.67 C ATOM 333 CG PRO A 24 -4.622 12.756 -0.546 1.00 0.81 C ATOM 334 CD PRO A 24 -4.928 11.496 -1.290 1.00 0.59 C ATOM 0 HA PRO A 24 -4.434 13.847 -3.521 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -2.677 13.396 -1.185 1.00 0.67 H new ATOM 0 HB3 PRO A 24 -3.921 14.621 -1.339 1.00 0.67 H new ATOM 0 HG2 PRO A 24 -4.134 12.540 0.404 1.00 0.81 H new ATOM 0 HG3 PRO A 24 -5.535 13.306 -0.317 1.00 0.81 H new ATOM 0 HD2 PRO A 24 -4.165 10.733 -1.136 1.00 0.59 H new ATOM 0 HD3 PRO A 24 -5.880 11.061 -0.985 1.00 0.59 H new ATOM 342 N PRO A 25 -2.145 13.487 -4.405 1.00 0.65 N ATOM 343 CA PRO A 25 -0.863 13.211 -5.075 1.00 0.67 C ATOM 344 C PRO A 25 0.259 12.983 -4.068 1.00 0.66 C ATOM 345 O PRO A 25 1.319 12.445 -4.395 1.00 0.71 O ATOM 346 CB PRO A 25 -0.595 14.480 -5.891 1.00 0.81 C ATOM 347 CG PRO A 25 -1.919 15.146 -6.024 1.00 1.03 C ATOM 348 CD PRO A 25 -2.681 14.808 -4.778 1.00 0.81 C ATOM 0 HA PRO A 25 -0.905 12.307 -5.683 1.00 0.67 H new ATOM 0 HB2 PRO A 25 0.123 15.128 -5.387 1.00 0.81 H new ATOM 0 HB3 PRO A 25 -0.176 14.239 -6.868 1.00 0.81 H new ATOM 0 HG2 PRO A 25 -1.804 16.225 -6.130 1.00 1.03 H new ATOM 0 HG3 PRO A 25 -2.446 14.793 -6.911 1.00 1.03 H new ATOM 0 HD2 PRO A 25 -2.517 15.546 -3.993 1.00 0.81 H new ATOM 0 HD3 PRO A 25 -3.755 14.770 -4.960 1.00 0.81 H new ATOM 356 N SER A 26 -0.011 13.367 -2.832 1.00 0.68 N ATOM 357 CA SER A 26 0.924 13.204 -1.740 1.00 0.73 C ATOM 358 C SER A 26 0.988 11.735 -1.387 1.00 0.65 C ATOM 359 O SER A 26 2.060 11.125 -1.363 1.00 0.68 O ATOM 360 CB SER A 26 0.452 14.010 -0.532 1.00 0.83 C ATOM 361 OG SER A 26 0.005 15.298 -0.924 1.00 0.91 O ATOM 0 H SER A 26 -0.892 13.803 -2.560 1.00 0.68 H new ATOM 0 HA SER A 26 1.911 13.562 -2.032 1.00 0.73 H new ATOM 0 HB2 SER A 26 -0.356 13.478 -0.029 1.00 0.83 H new ATOM 0 HB3 SER A 26 1.266 14.107 0.186 1.00 0.83 H new ATOM 0 HG SER A 26 -0.294 15.795 -0.134 1.00 0.91 H new ATOM 367 N CYS A 27 -0.191 11.177 -1.134 1.00 0.58 N ATOM 368 CA CYS A 27 -0.338 9.753 -0.930 1.00 0.55 C ATOM 369 C CYS A 27 0.243 9.014 -2.117 1.00 0.47 C ATOM 370 O CYS A 27 1.048 8.106 -1.958 1.00 0.48 O ATOM 371 CB CYS A 27 -1.808 9.372 -0.807 1.00 0.57 C ATOM 372 SG CYS A 27 -2.050 7.585 -0.599 1.00 0.74 S ATOM 0 H CYS A 27 -1.063 11.702 -1.066 1.00 0.58 H new ATOM 0 HA CYS A 27 0.184 9.485 -0.011 1.00 0.55 H new ATOM 0 HB2 CYS A 27 -2.245 9.896 0.043 1.00 0.57 H new ATOM 0 HB3 CYS A 27 -2.342 9.706 -1.697 1.00 0.57 H new ATOM 377 N CYS A 28 -0.166 9.441 -3.313 1.00 0.42 N ATOM 378 CA CYS A 28 0.240 8.782 -4.543 1.00 0.40 C ATOM 379 C CYS A 28 1.749 8.680 -4.668 1.00 0.45 C ATOM 380 O CYS A 28 2.269 7.663 -5.120 1.00 0.50 O ATOM 381 CB CYS A 28 -0.358 9.479 -5.762 1.00 0.45 C ATOM 382 SG CYS A 28 -2.102 9.039 -6.037 1.00 1.40 S ATOM 0 H CYS A 28 -0.780 10.244 -3.450 1.00 0.42 H new ATOM 0 HA CYS A 28 -0.150 7.765 -4.501 1.00 0.40 H new ATOM 0 HB2 CYS A 28 -0.276 10.558 -5.635 1.00 0.45 H new ATOM 0 HB3 CYS A 28 0.222 9.217 -6.647 1.00 0.45 H new ATOM 387 N THR A 29 2.450 9.721 -4.253 1.00 0.51 N ATOM 388 CA THR A 29 3.898 9.688 -4.233 1.00 0.58 C ATOM 389 C THR A 29 4.392 8.601 -3.276 1.00 0.54 C ATOM 390 O THR A 29 5.246 7.795 -3.633 1.00 0.56 O ATOM 391 CB THR A 29 4.473 11.060 -3.835 1.00 0.72 C ATOM 392 OG1 THR A 29 4.101 12.039 -4.818 1.00 0.79 O ATOM 393 CG2 THR A 29 5.986 11.007 -3.708 1.00 0.77 C ATOM 0 H THR A 29 2.040 10.596 -3.927 1.00 0.51 H new ATOM 0 HA THR A 29 4.248 9.453 -5.238 1.00 0.58 H new ATOM 0 HB THR A 29 4.062 11.336 -2.864 1.00 0.72 H new ATOM 0 HG1 THR A 29 3.148 12.247 -4.728 1.00 0.79 H new ATOM 0 HG21 THR A 29 6.362 11.990 -3.426 1.00 0.77 H new ATOM 0 HG22 THR A 29 6.262 10.280 -2.944 1.00 0.77 H new ATOM 0 HG23 THR A 29 6.421 10.712 -4.663 1.00 0.77 H new ATOM 401 N GLY A 30 3.810 8.553 -2.080 1.00 0.54 N ATOM 402 CA GLY A 30 4.188 7.546 -1.103 1.00 0.57 C ATOM 403 C GLY A 30 3.796 6.144 -1.532 1.00 0.47 C ATOM 404 O GLY A 30 4.484 5.170 -1.211 1.00 0.51 O ATOM 0 H GLY A 30 3.081 9.196 -1.770 1.00 0.54 H new ATOM 0 HA2 GLY A 30 5.266 7.586 -0.943 1.00 0.57 H new ATOM 0 HA3 GLY A 30 3.716 7.776 -0.148 1.00 0.57 H new ATOM 408 N VAL A 31 2.681 6.035 -2.240 1.00 0.41 N ATOM 409 CA VAL A 31 2.284 4.772 -2.839 1.00 0.44 C ATOM 410 C VAL A 31 3.363 4.320 -3.807 1.00 0.39 C ATOM 411 O VAL A 31 3.796 3.168 -3.783 1.00 0.40 O ATOM 412 CB VAL A 31 0.933 4.881 -3.584 1.00 0.56 C ATOM 413 CG1 VAL A 31 0.575 3.565 -4.257 1.00 0.68 C ATOM 414 CG2 VAL A 31 -0.174 5.303 -2.632 1.00 0.65 C ATOM 0 H VAL A 31 2.036 6.806 -2.413 1.00 0.41 H new ATOM 0 HA VAL A 31 2.159 4.044 -2.037 1.00 0.44 H new ATOM 0 HB VAL A 31 1.038 5.644 -4.355 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -0.379 3.668 -4.774 1.00 0.68 H new ATOM 0 HG12 VAL A 31 1.351 3.301 -4.976 1.00 0.68 H new ATOM 0 HG13 VAL A 31 0.497 2.781 -3.504 1.00 0.68 H new ATOM 0 HG21 VAL A 31 -1.115 5.373 -3.177 1.00 0.65 H new ATOM 0 HG22 VAL A 31 -0.270 4.565 -1.836 1.00 0.65 H new ATOM 0 HG23 VAL A 31 0.068 6.274 -2.200 1.00 0.65 H new ATOM 424 N LYS A 32 3.824 5.252 -4.627 1.00 0.40 N ATOM 425 CA LYS A 32 4.890 4.972 -5.568 1.00 0.46 C ATOM 426 C LYS A 32 6.212 4.735 -4.836 1.00 0.44 C ATOM 427 O LYS A 32 7.126 4.126 -5.382 1.00 0.49 O ATOM 428 CB LYS A 32 5.028 6.105 -6.586 1.00 0.58 C ATOM 429 CG LYS A 32 3.795 6.270 -7.464 1.00 1.05 C ATOM 430 CD LYS A 32 4.001 7.327 -8.537 1.00 1.14 C ATOM 431 CE LYS A 32 5.072 6.910 -9.528 1.00 1.31 C ATOM 432 NZ LYS A 32 5.266 7.922 -10.598 1.00 1.54 N ATOM 0 H LYS A 32 3.474 6.210 -4.657 1.00 0.40 H new ATOM 0 HA LYS A 32 4.634 4.061 -6.109 1.00 0.46 H new ATOM 0 HB2 LYS A 32 5.219 7.039 -6.058 1.00 0.58 H new ATOM 0 HB3 LYS A 32 5.895 5.914 -7.219 1.00 0.58 H new ATOM 0 HG2 LYS A 32 3.554 5.317 -7.935 1.00 1.05 H new ATOM 0 HG3 LYS A 32 2.942 6.544 -6.844 1.00 1.05 H new ATOM 0 HD2 LYS A 32 3.063 7.500 -9.064 1.00 1.14 H new ATOM 0 HD3 LYS A 32 4.283 8.271 -8.070 1.00 1.14 H new ATOM 0 HE2 LYS A 32 6.013 6.755 -9.001 1.00 1.31 H new ATOM 0 HE3 LYS A 32 4.798 5.956 -9.977 1.00 1.31 H new ATOM 0 HZ1 LYS A 32 6.006 7.597 -11.253 1.00 1.54 H new ATOM 0 HZ2 LYS A 32 4.375 8.052 -11.119 1.00 1.54 H new ATOM 0 HZ3 LYS A 32 5.553 8.827 -10.172 1.00 1.54 H new ATOM 446 N ASN A 33 6.314 5.211 -3.593 1.00 0.41 N ATOM 447 CA ASN A 33 7.484 4.919 -2.769 1.00 0.44 C ATOM 448 C ASN A 33 7.536 3.436 -2.429 1.00 0.39 C ATOM 449 O ASN A 33 8.553 2.786 -2.614 1.00 0.46 O ATOM 450 CB ASN A 33 7.500 5.740 -1.469 1.00 0.52 C ATOM 451 CG ASN A 33 8.105 7.120 -1.643 1.00 1.19 C ATOM 452 OD1 ASN A 33 7.407 8.090 -1.922 1.00 2.11 O ATOM 453 ND2 ASN A 33 9.412 7.220 -1.464 1.00 1.58 N ATOM 0 H ASN A 33 5.609 5.793 -3.141 1.00 0.41 H new ATOM 0 HA ASN A 33 8.361 5.197 -3.354 1.00 0.44 H new ATOM 0 HB2 ASN A 33 6.480 5.841 -1.098 1.00 0.52 H new ATOM 0 HB3 ASN A 33 8.063 5.196 -0.710 1.00 0.52 H new ATOM 0 HD21 ASN A 33 9.872 8.126 -1.557 1.00 1.58 H new ATOM 0 HD22 ASN A 33 9.960 6.391 -1.233 1.00 1.58 H new ATOM 460 N ILE A 34 6.429 2.901 -1.948 1.00 0.36 N ATOM 461 CA ILE A 34 6.362 1.499 -1.554 1.00 0.40 C ATOM 462 C ILE A 34 6.498 0.559 -2.756 1.00 0.48 C ATOM 463 O ILE A 34 6.908 -0.593 -2.615 1.00 0.57 O ATOM 464 CB ILE A 34 5.055 1.248 -0.757 1.00 0.48 C ATOM 465 CG1 ILE A 34 5.306 1.472 0.740 1.00 0.61 C ATOM 466 CG2 ILE A 34 4.490 -0.148 -0.990 1.00 0.65 C ATOM 467 CD1 ILE A 34 6.356 2.528 1.048 1.00 0.58 C ATOM 0 H ILE A 34 5.558 3.416 -1.819 1.00 0.36 H new ATOM 0 HA ILE A 34 7.210 1.276 -0.906 1.00 0.40 H new ATOM 0 HB ILE A 34 4.312 1.959 -1.118 1.00 0.48 H new ATOM 0 HG12 ILE A 34 4.368 1.760 1.214 1.00 0.61 H new ATOM 0 HG13 ILE A 34 5.614 0.528 1.190 1.00 0.61 H new ATOM 0 HG21 ILE A 34 3.576 -0.272 -0.409 1.00 0.65 H new ATOM 0 HG22 ILE A 34 4.268 -0.278 -2.049 1.00 0.65 H new ATOM 0 HG23 ILE A 34 5.222 -0.893 -0.678 1.00 0.65 H new ATOM 0 HD11 ILE A 34 6.471 2.623 2.128 1.00 0.58 H new ATOM 0 HD12 ILE A 34 7.308 2.234 0.606 1.00 0.58 H new ATOM 0 HD13 ILE A 34 6.043 3.485 0.631 1.00 0.58 H new ATOM 479 N LEU A 35 6.193 1.060 -3.941 1.00 0.56 N ATOM 480 CA LEU A 35 6.335 0.267 -5.151 1.00 0.79 C ATOM 481 C LEU A 35 7.693 0.488 -5.814 1.00 0.93 C ATOM 482 O LEU A 35 8.498 -0.432 -5.942 1.00 1.31 O ATOM 483 CB LEU A 35 5.210 0.587 -6.141 1.00 1.04 C ATOM 484 CG LEU A 35 3.938 -0.212 -5.943 1.00 1.16 C ATOM 485 CD1 LEU A 35 3.160 0.260 -4.723 1.00 1.36 C ATOM 486 CD2 LEU A 35 3.082 -0.154 -7.190 1.00 1.93 C ATOM 0 H LEU A 35 5.847 2.008 -4.091 1.00 0.56 H new ATOM 0 HA LEU A 35 6.268 -0.782 -4.862 1.00 0.79 H new ATOM 0 HB2 LEU A 35 4.971 1.648 -6.066 1.00 1.04 H new ATOM 0 HB3 LEU A 35 5.576 0.414 -7.153 1.00 1.04 H new ATOM 0 HG LEU A 35 4.219 -1.249 -5.762 1.00 1.16 H new ATOM 0 HD11 LEU A 35 2.255 -0.338 -4.615 1.00 1.36 H new ATOM 0 HD12 LEU A 35 3.777 0.147 -3.832 1.00 1.36 H new ATOM 0 HD13 LEU A 35 2.890 1.309 -4.847 1.00 1.36 H new ATOM 0 HD21 LEU A 35 2.171 -0.732 -7.033 1.00 1.93 H new ATOM 0 HD22 LEU A 35 2.821 0.882 -7.404 1.00 1.93 H new ATOM 0 HD23 LEU A 35 3.636 -0.570 -8.031 1.00 1.93 H new ATOM 498 N ASN A 36 7.931 1.712 -6.233 1.00 0.89 N ATOM 499 CA ASN A 36 9.138 2.057 -6.986 1.00 1.06 C ATOM 500 C ASN A 36 10.325 2.384 -6.076 1.00 1.01 C ATOM 501 O ASN A 36 11.453 1.984 -6.356 1.00 1.13 O ATOM 502 CB ASN A 36 8.853 3.246 -7.913 1.00 1.21 C ATOM 503 CG ASN A 36 10.087 3.722 -8.661 1.00 1.58 C ATOM 504 OD1 ASN A 36 10.426 3.196 -9.722 1.00 2.45 O ATOM 505 ND2 ASN A 36 10.750 4.739 -8.130 1.00 1.81 N ATOM 0 H ASN A 36 7.303 2.499 -6.067 1.00 0.89 H new ATOM 0 HA ASN A 36 9.412 1.181 -7.573 1.00 1.06 H new ATOM 0 HB2 ASN A 36 8.085 2.963 -8.633 1.00 1.21 H new ATOM 0 HB3 ASN A 36 8.450 4.071 -7.325 1.00 1.21 H new ATOM 0 HD21 ASN A 36 11.573 5.113 -8.602 1.00 1.81 H new ATOM 0 HD22 ASN A 36 10.437 5.147 -7.249 1.00 1.81 H new ATOM 512 N SER A 37 10.073 3.107 -4.990 1.00 0.90 N ATOM 513 CA SER A 37 11.151 3.599 -4.133 1.00 0.98 C ATOM 514 C SER A 37 11.593 2.543 -3.117 1.00 0.84 C ATOM 515 O SER A 37 12.567 2.749 -2.389 1.00 0.94 O ATOM 516 CB SER A 37 10.717 4.883 -3.422 1.00 1.05 C ATOM 517 OG SER A 37 11.753 5.424 -2.618 1.00 1.55 O ATOM 0 H SER A 37 9.136 3.366 -4.681 1.00 0.90 H new ATOM 0 HA SER A 37 12.009 3.819 -4.769 1.00 0.98 H new ATOM 0 HB2 SER A 37 10.411 5.621 -4.163 1.00 1.05 H new ATOM 0 HB3 SER A 37 9.846 4.676 -2.800 1.00 1.05 H new ATOM 0 HG SER A 37 12.351 4.704 -2.326 1.00 1.55 H new ATOM 523 N SER A 38 10.873 1.427 -3.055 1.00 0.67 N ATOM 524 CA SER A 38 11.310 0.294 -2.255 1.00 0.58 C ATOM 525 C SER A 38 12.682 -0.138 -2.767 1.00 0.67 C ATOM 526 O SER A 38 12.804 -0.640 -3.887 1.00 1.22 O ATOM 527 CB SER A 38 10.314 -0.852 -2.360 1.00 0.54 C ATOM 528 OG SER A 38 10.534 -1.796 -1.332 1.00 1.43 O ATOM 0 H SER A 38 9.990 1.286 -3.547 1.00 0.67 H new ATOM 0 HA SER A 38 11.372 0.577 -1.204 1.00 0.58 H new ATOM 0 HB2 SER A 38 9.297 -0.465 -2.294 1.00 0.54 H new ATOM 0 HB3 SER A 38 10.409 -1.336 -3.332 1.00 0.54 H new ATOM 0 HG SER A 38 10.973 -1.357 -0.574 1.00 1.43 H new ATOM 534 N ARG A 39 13.706 0.078 -1.960 1.00 0.87 N ATOM 535 CA ARG A 39 15.079 0.020 -2.441 1.00 1.08 C ATOM 536 C ARG A 39 15.482 -1.387 -2.857 1.00 0.84 C ATOM 537 O ARG A 39 16.123 -1.576 -3.892 1.00 1.22 O ATOM 538 CB ARG A 39 16.029 0.540 -1.370 1.00 1.40 C ATOM 539 CG ARG A 39 17.253 1.230 -1.941 1.00 1.90 C ATOM 540 CD ARG A 39 18.089 1.860 -0.843 1.00 2.25 C ATOM 541 NE ARG A 39 17.291 2.726 0.027 1.00 2.89 N ATOM 542 CZ ARG A 39 17.742 3.263 1.158 1.00 3.60 C ATOM 543 NH1 ARG A 39 19.006 3.077 1.526 1.00 3.87 N ATOM 544 NH2 ARG A 39 16.939 4.004 1.910 1.00 4.47 N ATOM 0 H ARG A 39 13.615 0.295 -0.968 1.00 0.87 H new ATOM 0 HA ARG A 39 15.142 0.653 -3.326 1.00 1.08 H new ATOM 0 HB2 ARG A 39 15.494 1.238 -0.726 1.00 1.40 H new ATOM 0 HB3 ARG A 39 16.349 -0.292 -0.742 1.00 1.40 H new ATOM 0 HG2 ARG A 39 17.856 0.509 -2.493 1.00 1.90 H new ATOM 0 HG3 ARG A 39 16.944 1.997 -2.651 1.00 1.90 H new ATOM 0 HD2 ARG A 39 18.553 1.075 -0.246 1.00 2.25 H new ATOM 0 HD3 ARG A 39 18.896 2.440 -1.290 1.00 2.25 H new ATOM 0 HE ARG A 39 16.331 2.930 -0.251 1.00 2.89 H new ATOM 0 HH11 ARG A 39 19.631 2.522 0.941 1.00 3.87 H new ATOM 0 HH12 ARG A 39 19.351 3.489 2.393 1.00 3.87 H new ATOM 0 HH21 ARG A 39 15.974 4.163 1.622 1.00 4.47 H new ATOM 0 HH22 ARG A 39 17.287 4.415 2.776 1.00 4.47 H new ATOM 558 N THR A 40 15.093 -2.370 -2.072 1.00 0.62 N ATOM 559 CA THR A 40 15.505 -3.739 -2.322 1.00 0.70 C ATOM 560 C THR A 40 14.303 -4.671 -2.308 1.00 0.75 C ATOM 561 O THR A 40 13.188 -4.250 -2.003 1.00 0.61 O ATOM 562 CB THR A 40 16.529 -4.213 -1.271 1.00 0.88 C ATOM 563 OG1 THR A 40 15.971 -4.095 0.046 1.00 1.59 O ATOM 564 CG2 THR A 40 17.816 -3.406 -1.355 1.00 1.25 C ATOM 0 H THR A 40 14.493 -2.249 -1.256 1.00 0.62 H new ATOM 0 HA THR A 40 15.973 -3.765 -3.306 1.00 0.70 H new ATOM 0 HB THR A 40 16.764 -5.257 -1.476 1.00 0.88 H new ATOM 0 HG1 THR A 40 16.627 -4.400 0.708 1.00 1.59 H new ATOM 0 HG21 THR A 40 18.519 -3.763 -0.602 1.00 1.25 H new ATOM 0 HG22 THR A 40 18.255 -3.523 -2.346 1.00 1.25 H new ATOM 0 HG23 THR A 40 17.597 -2.353 -1.177 1.00 1.25 H new ATOM 572 N THR A 41 14.523 -5.938 -2.628 1.00 1.03 N ATOM 573 CA THR A 41 13.468 -6.925 -2.524 1.00 1.16 C ATOM 574 C THR A 41 13.113 -7.137 -1.067 1.00 1.04 C ATOM 575 O THR A 41 11.951 -7.253 -0.723 1.00 0.97 O ATOM 576 CB THR A 41 13.875 -8.271 -3.130 1.00 1.58 C ATOM 577 OG1 THR A 41 14.303 -8.091 -4.487 1.00 1.79 O ATOM 578 CG2 THR A 41 12.713 -9.263 -3.082 1.00 1.73 C ATOM 0 H THR A 41 15.417 -6.301 -2.959 1.00 1.03 H new ATOM 0 HA THR A 41 12.612 -6.545 -3.081 1.00 1.16 H new ATOM 0 HB THR A 41 14.700 -8.674 -2.542 1.00 1.58 H new ATOM 0 HG1 THR A 41 14.563 -8.957 -4.866 1.00 1.79 H new ATOM 0 HG21 THR A 41 13.026 -10.212 -3.518 1.00 1.73 H new ATOM 0 HG22 THR A 41 12.412 -9.421 -2.046 1.00 1.73 H new ATOM 0 HG23 THR A 41 11.871 -8.864 -3.647 1.00 1.73 H new ATOM 586 N ALA A 42 14.129 -7.162 -0.211 1.00 1.12 N ATOM 587 CA ALA A 42 13.911 -7.304 1.222 1.00 1.18 C ATOM 588 C ALA A 42 13.121 -6.122 1.761 1.00 0.98 C ATOM 589 O ALA A 42 12.507 -6.200 2.827 1.00 1.13 O ATOM 590 CB ALA A 42 15.237 -7.436 1.953 1.00 1.41 C ATOM 0 H ALA A 42 15.109 -7.086 -0.485 1.00 1.12 H new ATOM 0 HA ALA A 42 13.332 -8.212 1.393 1.00 1.18 H new ATOM 0 HB1 ALA A 42 15.054 -7.541 3.022 1.00 1.41 H new ATOM 0 HB2 ALA A 42 15.768 -8.315 1.588 1.00 1.41 H new ATOM 0 HB3 ALA A 42 15.841 -6.547 1.774 1.00 1.41 H new ATOM 596 N ASP A 43 13.130 -5.035 1.001 1.00 0.74 N ATOM 597 CA ASP A 43 12.400 -3.840 1.363 1.00 0.67 C ATOM 598 C ASP A 43 10.949 -3.994 0.929 1.00 0.64 C ATOM 599 O ASP A 43 10.026 -3.745 1.702 1.00 0.93 O ATOM 600 CB ASP A 43 13.040 -2.628 0.675 1.00 0.63 C ATOM 601 CG ASP A 43 12.685 -1.305 1.322 1.00 1.00 C ATOM 602 OD1 ASP A 43 13.311 -0.961 2.353 1.00 1.18 O ATOM 603 OD2 ASP A 43 11.802 -0.602 0.793 1.00 1.72 O ATOM 0 H ASP A 43 13.642 -4.962 0.122 1.00 0.74 H new ATOM 0 HA ASP A 43 12.434 -3.690 2.442 1.00 0.67 H new ATOM 0 HB2 ASP A 43 14.123 -2.747 0.682 1.00 0.63 H new ATOM 0 HB3 ASP A 43 12.728 -2.607 -0.369 1.00 0.63 H new ATOM 608 N ARG A 44 10.760 -4.466 -0.299 1.00 0.54 N ATOM 609 CA ARG A 44 9.429 -4.599 -0.881 1.00 0.61 C ATOM 610 C ARG A 44 8.720 -5.839 -0.346 1.00 0.67 C ATOM 611 O ARG A 44 7.492 -5.887 -0.256 1.00 0.93 O ATOM 612 CB ARG A 44 9.524 -4.664 -2.404 1.00 0.76 C ATOM 613 CG ARG A 44 8.206 -4.378 -3.101 1.00 1.39 C ATOM 614 CD ARG A 44 8.380 -4.300 -4.605 1.00 1.53 C ATOM 615 NE ARG A 44 7.183 -3.776 -5.263 1.00 1.70 N ATOM 616 CZ ARG A 44 7.155 -3.342 -6.519 1.00 2.01 C ATOM 617 NH1 ARG A 44 8.243 -3.420 -7.276 1.00 2.34 N ATOM 618 NH2 ARG A 44 6.034 -2.838 -7.022 1.00 2.70 N ATOM 0 H ARG A 44 11.517 -4.765 -0.914 1.00 0.54 H new ATOM 0 HA ARG A 44 8.845 -3.723 -0.598 1.00 0.61 H new ATOM 0 HB2 ARG A 44 10.271 -3.947 -2.745 1.00 0.76 H new ATOM 0 HB3 ARG A 44 9.875 -5.653 -2.697 1.00 0.76 H new ATOM 0 HG2 ARG A 44 7.487 -5.160 -2.857 1.00 1.39 H new ATOM 0 HG3 ARG A 44 7.794 -3.439 -2.732 1.00 1.39 H new ATOM 0 HD2 ARG A 44 9.233 -3.663 -4.840 1.00 1.53 H new ATOM 0 HD3 ARG A 44 8.606 -5.292 -4.997 1.00 1.53 H new ATOM 0 HE ARG A 44 6.317 -3.742 -4.725 1.00 1.70 H new ATOM 0 HH11 ARG A 44 9.103 -3.814 -6.894 1.00 2.34 H new ATOM 0 HH12 ARG A 44 8.219 -3.086 -8.240 1.00 2.34 H new ATOM 0 HH21 ARG A 44 5.195 -2.784 -6.445 1.00 2.70 H new ATOM 0 HH22 ARG A 44 6.012 -2.505 -7.986 1.00 2.70 H new ATOM 632 N ARG A 45 9.511 -6.833 0.003 1.00 0.66 N ATOM 633 CA ARG A 45 9.013 -8.085 0.551 1.00 0.72 C ATOM 634 C ARG A 45 8.221 -7.815 1.822 1.00 0.76 C ATOM 635 O ARG A 45 7.038 -8.149 1.925 1.00 1.28 O ATOM 636 CB ARG A 45 10.204 -8.995 0.854 1.00 0.88 C ATOM 637 CG ARG A 45 9.857 -10.446 1.103 1.00 1.16 C ATOM 638 CD ARG A 45 11.099 -11.241 1.469 1.00 1.34 C ATOM 639 NE ARG A 45 10.784 -12.627 1.799 1.00 1.99 N ATOM 640 CZ ARG A 45 11.429 -13.679 1.297 1.00 2.61 C ATOM 641 NH1 ARG A 45 12.442 -13.505 0.451 1.00 2.84 N ATOM 642 NH2 ARG A 45 11.059 -14.907 1.642 1.00 3.54 N ATOM 0 H ARG A 45 10.527 -6.798 -0.085 1.00 0.66 H new ATOM 0 HA ARG A 45 8.354 -8.571 -0.169 1.00 0.72 H new ATOM 0 HB2 ARG A 45 10.903 -8.943 0.019 1.00 0.88 H new ATOM 0 HB3 ARG A 45 10.724 -8.607 1.730 1.00 0.88 H new ATOM 0 HG2 ARG A 45 9.124 -10.517 1.907 1.00 1.16 H new ATOM 0 HG3 ARG A 45 9.396 -10.873 0.212 1.00 1.16 H new ATOM 0 HD2 ARG A 45 11.803 -11.218 0.637 1.00 1.34 H new ATOM 0 HD3 ARG A 45 11.594 -10.770 2.318 1.00 1.34 H new ATOM 0 HE ARG A 45 10.023 -12.801 2.455 1.00 1.99 H new ATOM 0 HH11 ARG A 45 12.728 -12.563 0.184 1.00 2.84 H new ATOM 0 HH12 ARG A 45 12.933 -14.314 0.070 1.00 2.84 H new ATOM 0 HH21 ARG A 45 10.283 -15.043 2.290 1.00 3.54 H new ATOM 0 HH22 ARG A 45 11.551 -15.714 1.259 1.00 3.54 H new ATOM 656 N ALA A 46 8.880 -7.175 2.773 1.00 0.51 N ATOM 657 CA ALA A 46 8.264 -6.853 4.044 1.00 0.53 C ATOM 658 C ALA A 46 7.221 -5.757 3.883 1.00 0.44 C ATOM 659 O ALA A 46 6.190 -5.766 4.562 1.00 0.53 O ATOM 660 CB ALA A 46 9.327 -6.427 5.042 1.00 0.64 C ATOM 0 H ALA A 46 9.849 -6.867 2.685 1.00 0.51 H new ATOM 0 HA ALA A 46 7.761 -7.745 4.418 1.00 0.53 H new ATOM 0 HB1 ALA A 46 8.856 -6.187 5.995 1.00 0.64 H new ATOM 0 HB2 ALA A 46 10.039 -7.240 5.184 1.00 0.64 H new ATOM 0 HB3 ALA A 46 9.850 -5.548 4.664 1.00 0.64 H new ATOM 666 N VAL A 47 7.480 -4.816 2.975 1.00 0.35 N ATOM 667 CA VAL A 47 6.588 -3.680 2.796 1.00 0.38 C ATOM 668 C VAL A 47 5.222 -4.138 2.317 1.00 0.42 C ATOM 669 O VAL A 47 4.203 -3.640 2.778 1.00 0.50 O ATOM 670 CB VAL A 47 7.165 -2.609 1.833 1.00 0.45 C ATOM 671 CG1 VAL A 47 6.900 -2.938 0.376 1.00 0.50 C ATOM 672 CG2 VAL A 47 6.603 -1.248 2.165 1.00 0.70 C ATOM 0 H VAL A 47 8.293 -4.821 2.359 1.00 0.35 H new ATOM 0 HA VAL A 47 6.486 -3.209 3.774 1.00 0.38 H new ATOM 0 HB VAL A 47 8.246 -2.603 1.974 1.00 0.45 H new ATOM 0 HG11 VAL A 47 7.324 -2.158 -0.256 1.00 0.50 H new ATOM 0 HG12 VAL A 47 7.360 -3.895 0.129 1.00 0.50 H new ATOM 0 HG13 VAL A 47 5.825 -2.998 0.206 1.00 0.50 H new ATOM 0 HG21 VAL A 47 7.017 -0.507 1.481 1.00 0.70 H new ATOM 0 HG22 VAL A 47 5.518 -1.268 2.065 1.00 0.70 H new ATOM 0 HG23 VAL A 47 6.868 -0.985 3.189 1.00 0.70 H new ATOM 682 N CYS A 48 5.204 -5.120 1.429 1.00 0.44 N ATOM 683 CA CYS A 48 3.960 -5.612 0.872 1.00 0.56 C ATOM 684 C CYS A 48 3.249 -6.509 1.883 1.00 0.59 C ATOM 685 O CYS A 48 2.021 -6.508 1.976 1.00 0.68 O ATOM 686 CB CYS A 48 4.248 -6.353 -0.437 1.00 0.68 C ATOM 687 SG CYS A 48 2.801 -7.140 -1.222 1.00 1.78 S ATOM 0 H CYS A 48 6.039 -5.590 1.080 1.00 0.44 H new ATOM 0 HA CYS A 48 3.296 -4.776 0.653 1.00 0.56 H new ATOM 0 HB2 CYS A 48 4.687 -5.650 -1.145 1.00 0.68 H new ATOM 0 HB3 CYS A 48 4.998 -7.120 -0.244 1.00 0.68 H new ATOM 692 N SER A 49 4.030 -7.254 2.657 1.00 0.59 N ATOM 693 CA SER A 49 3.475 -8.111 3.695 1.00 0.73 C ATOM 694 C SER A 49 2.762 -7.280 4.766 1.00 0.73 C ATOM 695 O SER A 49 1.655 -7.617 5.184 1.00 0.96 O ATOM 696 CB SER A 49 4.583 -8.967 4.322 1.00 0.84 C ATOM 697 OG SER A 49 4.055 -9.896 5.257 1.00 1.41 O ATOM 0 H SER A 49 5.047 -7.281 2.585 1.00 0.59 H new ATOM 0 HA SER A 49 2.739 -8.773 3.239 1.00 0.73 H new ATOM 0 HB2 SER A 49 5.119 -9.502 3.538 1.00 0.84 H new ATOM 0 HB3 SER A 49 5.307 -8.321 4.818 1.00 0.84 H new ATOM 0 HG SER A 49 4.785 -10.427 5.638 1.00 1.41 H new ATOM 703 N CYS A 50 3.382 -6.185 5.206 1.00 0.57 N ATOM 704 CA CYS A 50 2.747 -5.319 6.199 1.00 0.60 C ATOM 705 C CYS A 50 1.670 -4.468 5.531 1.00 0.55 C ATOM 706 O CYS A 50 0.723 -4.020 6.178 1.00 0.59 O ATOM 707 CB CYS A 50 3.775 -4.422 6.896 1.00 0.63 C ATOM 708 SG CYS A 50 3.553 -4.327 8.709 1.00 1.11 S ATOM 0 H CYS A 50 4.305 -5.881 4.898 1.00 0.57 H new ATOM 0 HA CYS A 50 2.288 -5.952 6.959 1.00 0.60 H new ATOM 0 HB2 CYS A 50 4.776 -4.795 6.680 1.00 0.63 H new ATOM 0 HB3 CYS A 50 3.712 -3.418 6.477 1.00 0.63 H new ATOM 713 N LEU A 51 1.830 -4.259 4.229 1.00 0.51 N ATOM 714 CA LEU A 51 0.841 -3.562 3.416 1.00 0.55 C ATOM 715 C LEU A 51 -0.501 -4.281 3.482 1.00 0.63 C ATOM 716 O LEU A 51 -1.519 -3.690 3.845 1.00 0.63 O ATOM 717 CB LEU A 51 1.333 -3.497 1.968 1.00 0.66 C ATOM 718 CG LEU A 51 0.347 -2.935 0.953 1.00 0.77 C ATOM 719 CD1 LEU A 51 0.319 -1.418 1.001 1.00 1.33 C ATOM 720 CD2 LEU A 51 0.697 -3.428 -0.443 1.00 1.33 C ATOM 0 H LEU A 51 2.650 -4.568 3.707 1.00 0.51 H new ATOM 0 HA LEU A 51 0.708 -2.551 3.800 1.00 0.55 H new ATOM 0 HB2 LEU A 51 2.238 -2.891 1.940 1.00 0.66 H new ATOM 0 HB3 LEU A 51 1.613 -4.503 1.655 1.00 0.66 H new ATOM 0 HG LEU A 51 -0.651 -3.291 1.208 1.00 0.77 H new ATOM 0 HD11 LEU A 51 -0.394 -1.044 0.266 1.00 1.33 H new ATOM 0 HD12 LEU A 51 0.019 -1.091 1.996 1.00 1.33 H new ATOM 0 HD13 LEU A 51 1.312 -1.028 0.775 1.00 1.33 H new ATOM 0 HD21 LEU A 51 -0.014 -3.021 -1.162 1.00 1.33 H new ATOM 0 HD22 LEU A 51 1.704 -3.100 -0.703 1.00 1.33 H new ATOM 0 HD23 LEU A 51 0.653 -4.517 -0.466 1.00 1.33 H new ATOM 732 N LYS A 52 -0.486 -5.568 3.154 1.00 0.80 N ATOM 733 CA LYS A 52 -1.701 -6.368 3.161 1.00 0.99 C ATOM 734 C LYS A 52 -2.229 -6.527 4.585 1.00 0.92 C ATOM 735 O LYS A 52 -3.436 -6.638 4.802 1.00 1.02 O ATOM 736 CB LYS A 52 -1.451 -7.742 2.530 1.00 1.32 C ATOM 737 CG LYS A 52 -0.568 -8.655 3.361 1.00 1.40 C ATOM 738 CD LYS A 52 -0.546 -10.061 2.801 1.00 1.78 C ATOM 739 CE LYS A 52 0.244 -10.997 3.695 1.00 1.79 C ATOM 740 NZ LYS A 52 0.067 -12.412 3.290 1.00 2.30 N ATOM 0 H LYS A 52 0.354 -6.078 2.880 1.00 0.80 H new ATOM 0 HA LYS A 52 -2.453 -5.849 2.567 1.00 0.99 H new ATOM 0 HB2 LYS A 52 -2.410 -8.234 2.365 1.00 1.32 H new ATOM 0 HB3 LYS A 52 -0.992 -7.602 1.552 1.00 1.32 H new ATOM 0 HG2 LYS A 52 0.446 -8.257 3.388 1.00 1.40 H new ATOM 0 HG3 LYS A 52 -0.930 -8.677 4.389 1.00 1.40 H new ATOM 0 HD2 LYS A 52 -1.567 -10.429 2.697 1.00 1.78 H new ATOM 0 HD3 LYS A 52 -0.107 -10.051 1.803 1.00 1.78 H new ATOM 0 HE2 LYS A 52 1.301 -10.735 3.654 1.00 1.79 H new ATOM 0 HE3 LYS A 52 -0.076 -10.871 4.729 1.00 1.79 H new ATOM 0 HZ1 LYS A 52 0.980 -12.907 3.349 1.00 2.30 H new ATOM 0 HZ2 LYS A 52 -0.617 -12.872 3.924 1.00 2.30 H new ATOM 0 HZ3 LYS A 52 -0.286 -12.452 2.313 1.00 2.30 H new ATOM 754 N ALA A 53 -1.318 -6.526 5.557 1.00 0.88 N ATOM 755 CA ALA A 53 -1.706 -6.627 6.955 1.00 0.95 C ATOM 756 C ALA A 53 -2.462 -5.390 7.388 1.00 0.91 C ATOM 757 O ALA A 53 -3.436 -5.491 8.117 1.00 1.10 O ATOM 758 CB ALA A 53 -0.501 -6.832 7.857 1.00 1.06 C ATOM 0 H ALA A 53 -0.313 -6.457 5.399 1.00 0.88 H new ATOM 0 HA ALA A 53 -2.355 -7.498 7.049 1.00 0.95 H new ATOM 0 HB1 ALA A 53 -0.830 -6.903 8.894 1.00 1.06 H new ATOM 0 HB2 ALA A 53 0.012 -7.752 7.576 1.00 1.06 H new ATOM 0 HB3 ALA A 53 0.181 -5.989 7.750 1.00 1.06 H new ATOM 764 N ALA A 54 -2.012 -4.227 6.927 1.00 0.79 N ATOM 765 CA ALA A 54 -2.638 -2.958 7.286 1.00 0.87 C ATOM 766 C ALA A 54 -4.106 -2.932 6.881 1.00 0.94 C ATOM 767 O ALA A 54 -4.942 -2.374 7.592 1.00 1.16 O ATOM 768 CB ALA A 54 -1.892 -1.799 6.646 1.00 0.89 C ATOM 0 H ALA A 54 -1.212 -4.137 6.301 1.00 0.79 H new ATOM 0 HA ALA A 54 -2.587 -2.854 8.370 1.00 0.87 H new ATOM 0 HB1 ALA A 54 -2.371 -0.860 6.923 1.00 0.89 H new ATOM 0 HB2 ALA A 54 -0.859 -1.795 6.993 1.00 0.89 H new ATOM 0 HB3 ALA A 54 -1.910 -1.909 5.562 1.00 0.89 H new ATOM 774 N ALA A 55 -4.413 -3.551 5.745 1.00 0.88 N ATOM 775 CA ALA A 55 -5.785 -3.615 5.252 1.00 0.97 C ATOM 776 C ALA A 55 -6.668 -4.434 6.188 1.00 0.96 C ATOM 777 O ALA A 55 -7.857 -4.157 6.343 1.00 1.07 O ATOM 778 CB ALA A 55 -5.811 -4.194 3.848 1.00 1.11 C ATOM 0 H ALA A 55 -3.729 -4.016 5.148 1.00 0.88 H new ATOM 0 HA ALA A 55 -6.184 -2.601 5.221 1.00 0.97 H new ATOM 0 HB1 ALA A 55 -6.840 -4.237 3.491 1.00 1.11 H new ATOM 0 HB2 ALA A 55 -5.222 -3.562 3.183 1.00 1.11 H new ATOM 0 HB3 ALA A 55 -5.390 -5.199 3.861 1.00 1.11 H new ATOM 784 N GLY A 56 -6.075 -5.437 6.820 1.00 0.96 N ATOM 785 CA GLY A 56 -6.810 -6.258 7.761 1.00 1.05 C ATOM 786 C GLY A 56 -6.586 -5.823 9.195 1.00 0.99 C ATOM 787 O GLY A 56 -7.236 -6.322 10.112 1.00 1.08 O ATOM 0 H GLY A 56 -5.096 -5.697 6.698 1.00 0.96 H new ATOM 0 HA2 GLY A 56 -7.874 -6.209 7.530 1.00 1.05 H new ATOM 0 HA3 GLY A 56 -6.507 -7.299 7.647 1.00 1.05 H new ATOM 791 N ALA A 57 -5.663 -4.893 9.383 1.00 0.98 N ATOM 792 CA ALA A 57 -5.333 -4.386 10.704 1.00 1.11 C ATOM 793 C ALA A 57 -6.222 -3.201 11.054 1.00 1.10 C ATOM 794 O ALA A 57 -6.917 -3.201 12.071 1.00 1.53 O ATOM 795 CB ALA A 57 -3.873 -3.973 10.763 1.00 1.34 C ATOM 0 H ALA A 57 -5.124 -4.470 8.627 1.00 0.98 H new ATOM 0 HA ALA A 57 -5.503 -5.181 11.430 1.00 1.11 H new ATOM 0 HB1 ALA A 57 -3.642 -3.595 11.759 1.00 1.34 H new ATOM 0 HB2 ALA A 57 -3.242 -4.835 10.546 1.00 1.34 H new ATOM 0 HB3 ALA A 57 -3.686 -3.192 10.026 1.00 1.34 H new ATOM 801 N VAL A 58 -6.206 -2.203 10.180 1.00 0.89 N ATOM 802 CA VAL A 58 -6.944 -0.968 10.396 1.00 1.10 C ATOM 803 C VAL A 58 -8.388 -1.122 9.938 1.00 1.08 C ATOM 804 O VAL A 58 -8.662 -1.239 8.746 1.00 1.78 O ATOM 805 CB VAL A 58 -6.272 0.205 9.646 1.00 1.50 C ATOM 806 CG1 VAL A 58 -7.001 1.519 9.896 1.00 1.74 C ATOM 807 CG2 VAL A 58 -4.808 0.320 10.042 1.00 2.36 C ATOM 0 H VAL A 58 -5.683 -2.228 9.305 1.00 0.89 H new ATOM 0 HA VAL A 58 -6.937 -0.749 11.464 1.00 1.10 H new ATOM 0 HB VAL A 58 -6.330 -0.006 8.578 1.00 1.50 H new ATOM 0 HG11 VAL A 58 -6.501 2.321 9.353 1.00 1.74 H new ATOM 0 HG12 VAL A 58 -8.032 1.435 9.551 1.00 1.74 H new ATOM 0 HG13 VAL A 58 -6.993 1.742 10.963 1.00 1.74 H new ATOM 0 HG21 VAL A 58 -4.350 1.151 9.505 1.00 2.36 H new ATOM 0 HG22 VAL A 58 -4.734 0.497 11.115 1.00 2.36 H new ATOM 0 HG23 VAL A 58 -4.289 -0.605 9.790 1.00 2.36 H new ATOM 817 N ARG A 59 -9.309 -1.104 10.894 1.00 0.92 N ATOM 818 CA ARG A 59 -10.727 -1.298 10.599 1.00 1.16 C ATOM 819 C ARG A 59 -11.321 -0.056 9.954 1.00 1.18 C ATOM 820 O ARG A 59 -12.456 -0.055 9.476 1.00 1.83 O ATOM 821 CB ARG A 59 -11.502 -1.670 11.868 1.00 1.63 C ATOM 822 CG ARG A 59 -11.296 -0.701 13.023 1.00 2.16 C ATOM 823 CD ARG A 59 -12.136 -1.083 14.233 1.00 2.64 C ATOM 824 NE ARG A 59 -11.903 -2.463 14.658 1.00 3.01 N ATOM 825 CZ ARG A 59 -11.753 -2.838 15.928 1.00 3.85 C ATOM 826 NH1 ARG A 59 -11.704 -1.935 16.899 1.00 4.30 N ATOM 827 NH2 ARG A 59 -11.615 -4.121 16.222 1.00 4.65 N ATOM 0 H ARG A 59 -9.101 -0.957 11.882 1.00 0.92 H new ATOM 0 HA ARG A 59 -10.813 -2.123 9.892 1.00 1.16 H new ATOM 0 HB2 ARG A 59 -12.565 -1.718 11.632 1.00 1.63 H new ATOM 0 HB3 ARG A 59 -11.201 -2.668 12.186 1.00 1.63 H new ATOM 0 HG2 ARG A 59 -10.242 -0.685 13.302 1.00 2.16 H new ATOM 0 HG3 ARG A 59 -11.556 0.308 12.703 1.00 2.16 H new ATOM 0 HD2 ARG A 59 -11.909 -0.408 15.058 1.00 2.64 H new ATOM 0 HD3 ARG A 59 -13.192 -0.952 13.996 1.00 2.64 H new ATOM 0 HE ARG A 59 -11.852 -3.183 13.937 1.00 3.01 H new ATOM 0 HH11 ARG A 59 -11.781 -0.943 16.677 1.00 4.30 H new ATOM 0 HH12 ARG A 59 -11.589 -2.233 17.868 1.00 4.30 H new ATOM 0 HH21 ARG A 59 -11.624 -4.819 15.478 1.00 4.65 H new ATOM 0 HH22 ARG A 59 -11.500 -4.412 17.193 1.00 4.65 H new ATOM 841 N GLY A 60 -10.523 0.988 9.935 1.00 1.26 N ATOM 842 CA GLY A 60 -10.918 2.228 9.301 1.00 1.50 C ATOM 843 C GLY A 60 -10.143 2.466 8.029 1.00 1.68 C ATOM 844 O GLY A 60 -10.261 3.517 7.410 1.00 2.01 O ATOM 0 H GLY A 60 -9.593 1.004 10.353 1.00 1.26 H new ATOM 0 HA2 GLY A 60 -11.985 2.202 9.079 1.00 1.50 H new ATOM 0 HA3 GLY A 60 -10.756 3.058 9.989 1.00 1.50 H new ATOM 848 N ILE A 61 -9.343 1.481 7.638 1.00 1.67 N ATOM 849 CA ILE A 61 -8.533 1.602 6.436 1.00 1.93 C ATOM 850 C ILE A 61 -9.335 1.166 5.236 1.00 1.67 C ATOM 851 O ILE A 61 -9.129 1.634 4.120 1.00 2.21 O ATOM 852 CB ILE A 61 -7.222 0.773 6.544 1.00 2.53 C ATOM 853 CG1 ILE A 61 -6.025 1.607 6.094 1.00 3.45 C ATOM 854 CG2 ILE A 61 -7.292 -0.524 5.738 1.00 2.78 C ATOM 855 CD1 ILE A 61 -5.786 2.825 6.959 1.00 3.54 C ATOM 0 H ILE A 61 -9.239 0.596 8.134 1.00 1.67 H new ATOM 0 HA ILE A 61 -8.249 2.648 6.321 1.00 1.93 H new ATOM 0 HB ILE A 61 -7.099 0.501 7.592 1.00 2.53 H new ATOM 0 HG12 ILE A 61 -5.132 0.982 6.103 1.00 3.45 H new ATOM 0 HG13 ILE A 61 -6.180 1.926 5.063 1.00 3.45 H new ATOM 0 HG21 ILE A 61 -6.354 -1.069 5.844 1.00 2.78 H new ATOM 0 HG22 ILE A 61 -8.113 -1.139 6.108 1.00 2.78 H new ATOM 0 HG23 ILE A 61 -7.459 -0.290 4.687 1.00 2.78 H new ATOM 0 HD11 ILE A 61 -4.921 3.373 6.585 1.00 3.54 H new ATOM 0 HD12 ILE A 61 -6.664 3.470 6.930 1.00 3.54 H new ATOM 0 HD13 ILE A 61 -5.600 2.511 7.986 1.00 3.54 H new ATOM 867 N ASN A 62 -10.270 0.287 5.519 1.00 1.52 N ATOM 868 CA ASN A 62 -11.132 -0.316 4.507 1.00 1.54 C ATOM 869 C ASN A 62 -10.301 -0.991 3.416 1.00 1.47 C ATOM 870 O ASN A 62 -9.826 -0.335 2.492 1.00 1.53 O ATOM 871 CB ASN A 62 -12.064 0.733 3.897 1.00 1.94 C ATOM 872 CG ASN A 62 -13.178 1.147 4.840 1.00 2.79 C ATOM 873 OD1 ASN A 62 -13.733 0.320 5.564 1.00 3.22 O ATOM 874 ND2 ASN A 62 -13.490 2.433 4.862 1.00 3.41 N ATOM 0 H ASN A 62 -10.462 -0.038 6.467 1.00 1.52 H new ATOM 0 HA ASN A 62 -11.741 -1.078 4.993 1.00 1.54 H new ATOM 0 HB2 ASN A 62 -11.482 1.612 3.620 1.00 1.94 H new ATOM 0 HB3 ASN A 62 -12.499 0.337 2.979 1.00 1.94 H new ATOM 0 HD21 ASN A 62 -14.214 2.771 5.495 1.00 3.41 H new ATOM 0 HD22 ASN A 62 -13.006 3.086 4.246 1.00 3.41 H new ATOM 881 N PRO A 63 -10.117 -2.318 3.528 1.00 1.67 N ATOM 882 CA PRO A 63 -9.294 -3.107 2.604 1.00 1.87 C ATOM 883 C PRO A 63 -9.499 -2.731 1.135 1.00 1.64 C ATOM 884 O PRO A 63 -8.534 -2.588 0.384 1.00 1.59 O ATOM 885 CB PRO A 63 -9.760 -4.541 2.835 1.00 2.43 C ATOM 886 CG PRO A 63 -10.408 -4.569 4.180 1.00 2.38 C ATOM 887 CD PRO A 63 -10.696 -3.149 4.595 1.00 2.01 C ATOM 0 HA PRO A 63 -8.234 -2.941 2.794 1.00 1.87 H new ATOM 0 HB2 PRO A 63 -10.462 -4.849 2.060 1.00 2.43 H new ATOM 0 HB3 PRO A 63 -8.918 -5.233 2.796 1.00 2.43 H new ATOM 0 HG2 PRO A 63 -11.330 -5.149 4.145 1.00 2.38 H new ATOM 0 HG3 PRO A 63 -9.755 -5.052 4.907 1.00 2.38 H new ATOM 0 HD2 PRO A 63 -11.768 -2.976 4.693 1.00 2.01 H new ATOM 0 HD3 PRO A 63 -10.246 -2.921 5.561 1.00 2.01 H new ATOM 895 N ASN A 64 -10.756 -2.552 0.741 1.00 1.59 N ATOM 896 CA ASN A 64 -11.089 -2.224 -0.648 1.00 1.51 C ATOM 897 C ASN A 64 -10.479 -0.893 -1.066 1.00 1.16 C ATOM 898 O ASN A 64 -10.091 -0.721 -2.217 1.00 1.11 O ATOM 899 CB ASN A 64 -12.608 -2.177 -0.860 1.00 1.72 C ATOM 900 CG ASN A 64 -13.257 -3.549 -0.827 1.00 2.37 C ATOM 901 OD1 ASN A 64 -12.787 -4.459 -0.146 1.00 3.10 O ATOM 902 ND2 ASN A 64 -14.356 -3.703 -1.546 1.00 2.83 N ATOM 0 H ASN A 64 -11.563 -2.628 1.361 1.00 1.59 H new ATOM 0 HA ASN A 64 -10.669 -3.015 -1.269 1.00 1.51 H new ATOM 0 HB2 ASN A 64 -13.057 -1.551 -0.089 1.00 1.72 H new ATOM 0 HB3 ASN A 64 -12.821 -1.704 -1.819 1.00 1.72 H new ATOM 0 HD21 ASN A 64 -14.843 -4.599 -1.548 1.00 2.83 H new ATOM 0 HD22 ASN A 64 -14.717 -2.926 -2.099 1.00 2.83 H new ATOM 909 N ASN A 65 -10.385 0.040 -0.127 1.00 0.99 N ATOM 910 CA ASN A 65 -9.803 1.343 -0.405 1.00 0.74 C ATOM 911 C ASN A 65 -8.288 1.241 -0.397 1.00 0.69 C ATOM 912 O ASN A 65 -7.608 1.905 -1.176 1.00 0.60 O ATOM 913 CB ASN A 65 -10.271 2.384 0.610 1.00 0.74 C ATOM 914 CG ASN A 65 -11.772 2.610 0.570 1.00 0.95 C ATOM 915 OD1 ASN A 65 -12.424 2.391 -0.455 1.00 1.34 O ATOM 916 ND2 ASN A 65 -12.333 3.068 1.677 1.00 1.13 N ATOM 0 H ASN A 65 -10.705 -0.083 0.834 1.00 0.99 H new ATOM 0 HA ASN A 65 -10.136 1.666 -1.391 1.00 0.74 H new ATOM 0 HB2 ASN A 65 -9.983 2.064 1.611 1.00 0.74 H new ATOM 0 HB3 ASN A 65 -9.761 3.328 0.418 1.00 0.74 H new ATOM 0 HD21 ASN A 65 -13.336 3.252 1.702 1.00 1.13 H new ATOM 0 HD22 ASN A 65 -11.763 3.237 2.505 1.00 1.13 H new ATOM 923 N ALA A 66 -7.766 0.377 0.466 1.00 0.93 N ATOM 924 CA ALA A 66 -6.329 0.162 0.568 1.00 1.07 C ATOM 925 C ALA A 66 -5.760 -0.380 -0.742 1.00 1.02 C ATOM 926 O ALA A 66 -4.700 0.047 -1.193 1.00 1.05 O ATOM 927 CB ALA A 66 -6.015 -0.783 1.719 1.00 1.43 C ATOM 0 H ALA A 66 -8.321 -0.189 1.108 1.00 0.93 H new ATOM 0 HA ALA A 66 -5.856 1.123 0.767 1.00 1.07 H new ATOM 0 HB1 ALA A 66 -4.937 -0.934 1.782 1.00 1.43 H new ATOM 0 HB2 ALA A 66 -6.377 -0.352 2.653 1.00 1.43 H new ATOM 0 HB3 ALA A 66 -6.506 -1.741 1.548 1.00 1.43 H new ATOM 933 N GLU A 67 -6.478 -1.311 -1.367 1.00 1.07 N ATOM 934 CA GLU A 67 -6.032 -1.867 -2.637 1.00 1.12 C ATOM 935 C GLU A 67 -6.607 -1.081 -3.811 1.00 0.94 C ATOM 936 O GLU A 67 -6.454 -1.466 -4.973 1.00 1.00 O ATOM 937 CB GLU A 67 -6.377 -3.358 -2.747 1.00 1.50 C ATOM 938 CG GLU A 67 -7.831 -3.701 -2.483 1.00 1.80 C ATOM 939 CD GLU A 67 -8.096 -5.188 -2.616 1.00 2.05 C ATOM 940 OE1 GLU A 67 -7.580 -5.966 -1.784 1.00 2.41 O ATOM 941 OE2 GLU A 67 -8.801 -5.586 -3.566 1.00 2.41 O ATOM 0 H GLU A 67 -7.359 -1.690 -1.019 1.00 1.07 H new ATOM 0 HA GLU A 67 -4.946 -1.778 -2.674 1.00 1.12 H new ATOM 0 HB2 GLU A 67 -6.114 -3.704 -3.747 1.00 1.50 H new ATOM 0 HB3 GLU A 67 -5.755 -3.912 -2.044 1.00 1.50 H new ATOM 0 HG2 GLU A 67 -8.105 -3.372 -1.481 1.00 1.80 H new ATOM 0 HG3 GLU A 67 -8.465 -3.156 -3.182 1.00 1.80 H new ATOM 948 N ALA A 68 -7.243 0.038 -3.501 1.00 0.86 N ATOM 949 CA ALA A 68 -7.753 0.938 -4.522 1.00 0.92 C ATOM 950 C ALA A 68 -6.762 2.070 -4.765 1.00 0.89 C ATOM 951 O ALA A 68 -6.863 2.797 -5.755 1.00 1.14 O ATOM 952 CB ALA A 68 -9.106 1.500 -4.113 1.00 1.00 C ATOM 0 H ALA A 68 -7.419 0.345 -2.544 1.00 0.86 H new ATOM 0 HA ALA A 68 -7.880 0.376 -5.447 1.00 0.92 H new ATOM 0 HB1 ALA A 68 -9.471 2.171 -4.890 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -9.814 0.682 -3.978 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -9.004 2.050 -3.177 1.00 1.00 H new ATOM 958 N LEU A 69 -5.804 2.209 -3.854 1.00 0.79 N ATOM 959 CA LEU A 69 -4.784 3.250 -3.952 1.00 1.01 C ATOM 960 C LEU A 69 -3.956 3.110 -5.233 1.00 1.08 C ATOM 961 O LEU A 69 -3.825 4.076 -5.985 1.00 1.37 O ATOM 962 CB LEU A 69 -3.867 3.232 -2.724 1.00 1.16 C ATOM 963 CG LEU A 69 -4.586 3.289 -1.378 1.00 1.47 C ATOM 964 CD1 LEU A 69 -3.580 3.386 -0.243 1.00 2.29 C ATOM 965 CD2 LEU A 69 -5.557 4.459 -1.340 1.00 1.96 C ATOM 0 H LEU A 69 -5.712 1.610 -3.034 1.00 0.79 H new ATOM 0 HA LEU A 69 -5.302 4.209 -3.990 1.00 1.01 H new ATOM 0 HB2 LEU A 69 -3.260 2.327 -2.756 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -3.182 4.078 -2.789 1.00 1.16 H new ATOM 0 HG LEU A 69 -5.157 2.369 -1.251 1.00 1.47 H new ATOM 0 HD11 LEU A 69 -4.109 3.426 0.709 1.00 2.29 H new ATOM 0 HD12 LEU A 69 -2.927 2.513 -0.260 1.00 2.29 H new ATOM 0 HD13 LEU A 69 -2.981 4.289 -0.364 1.00 2.29 H new ATOM 0 HD21 LEU A 69 -6.060 4.483 -0.373 1.00 1.96 H new ATOM 0 HD22 LEU A 69 -5.010 5.390 -1.488 1.00 1.96 H new ATOM 0 HD23 LEU A 69 -6.298 4.343 -2.131 1.00 1.96 H new ATOM 977 N PRO A 70 -3.391 1.909 -5.518 1.00 0.88 N ATOM 978 CA PRO A 70 -2.608 1.681 -6.739 1.00 0.91 C ATOM 979 C PRO A 70 -3.373 2.070 -8.004 1.00 1.02 C ATOM 980 O PRO A 70 -2.780 2.525 -8.982 1.00 1.20 O ATOM 981 CB PRO A 70 -2.323 0.171 -6.725 1.00 0.77 C ATOM 982 CG PRO A 70 -3.228 -0.398 -5.688 1.00 0.78 C ATOM 983 CD PRO A 70 -3.439 0.696 -4.687 1.00 0.78 C ATOM 0 HA PRO A 70 -1.705 2.291 -6.753 1.00 0.91 H new ATOM 0 HB2 PRO A 70 -2.517 -0.274 -7.701 1.00 0.77 H new ATOM 0 HB3 PRO A 70 -1.278 -0.029 -6.486 1.00 0.77 H new ATOM 0 HG2 PRO A 70 -4.174 -0.715 -6.126 1.00 0.78 H new ATOM 0 HG3 PRO A 70 -2.783 -1.276 -5.220 1.00 0.78 H new ATOM 0 HD2 PRO A 70 -4.395 0.595 -4.173 1.00 0.78 H new ATOM 0 HD3 PRO A 70 -2.663 0.699 -3.921 1.00 0.78 H new ATOM 991 N GLY A 71 -4.694 1.925 -7.961 1.00 1.06 N ATOM 992 CA GLY A 71 -5.521 2.234 -9.114 1.00 1.36 C ATOM 993 C GLY A 71 -5.675 3.726 -9.340 1.00 1.09 C ATOM 994 O GLY A 71 -5.951 4.163 -10.455 1.00 1.18 O ATOM 0 H GLY A 71 -5.209 1.597 -7.144 1.00 1.06 H new ATOM 0 HA2 GLY A 71 -5.083 1.779 -10.003 1.00 1.36 H new ATOM 0 HA3 GLY A 71 -6.506 1.787 -8.980 1.00 1.36 H new ATOM 998 N LYS A 72 -5.502 4.512 -8.286 1.00 0.90 N ATOM 999 CA LYS A 72 -5.629 5.963 -8.384 1.00 0.78 C ATOM 1000 C LYS A 72 -4.273 6.653 -8.474 1.00 0.73 C ATOM 1001 O LYS A 72 -4.206 7.865 -8.675 1.00 0.99 O ATOM 1002 CB LYS A 72 -6.410 6.521 -7.187 1.00 0.76 C ATOM 1003 CG LYS A 72 -7.910 6.573 -7.400 1.00 1.18 C ATOM 1004 CD LYS A 72 -8.518 5.189 -7.490 1.00 1.40 C ATOM 1005 CE LYS A 72 -9.380 4.889 -6.281 1.00 2.07 C ATOM 1006 NZ LYS A 72 -10.270 3.725 -6.520 1.00 2.61 N ATOM 0 H LYS A 72 -5.273 4.171 -7.352 1.00 0.90 H new ATOM 0 HA LYS A 72 -6.175 6.170 -9.304 1.00 0.78 H new ATOM 0 HB2 LYS A 72 -6.199 5.908 -6.311 1.00 0.76 H new ATOM 0 HB3 LYS A 72 -6.049 7.526 -6.967 1.00 0.76 H new ATOM 0 HG2 LYS A 72 -8.374 7.120 -6.579 1.00 1.18 H new ATOM 0 HG3 LYS A 72 -8.128 7.125 -8.314 1.00 1.18 H new ATOM 0 HD2 LYS A 72 -9.119 5.111 -8.396 1.00 1.40 H new ATOM 0 HD3 LYS A 72 -7.725 4.445 -7.568 1.00 1.40 H new ATOM 0 HE2 LYS A 72 -8.743 4.690 -5.419 1.00 2.07 H new ATOM 0 HE3 LYS A 72 -9.982 5.764 -6.036 1.00 2.07 H new ATOM 0 HZ1 LYS A 72 -10.796 3.506 -5.650 1.00 2.61 H new ATOM 0 HZ2 LYS A 72 -10.940 3.951 -7.282 1.00 2.61 H new ATOM 0 HZ3 LYS A 72 -9.698 2.901 -6.795 1.00 2.61 H new ATOM 1020 N CYS A 73 -3.196 5.895 -8.333 1.00 0.63 N ATOM 1021 CA CYS A 73 -1.865 6.492 -8.300 1.00 0.63 C ATOM 1022 C CYS A 73 -0.961 5.974 -9.421 1.00 0.62 C ATOM 1023 O CYS A 73 0.252 6.171 -9.386 1.00 0.77 O ATOM 1024 CB CYS A 73 -1.226 6.264 -6.931 1.00 0.72 C ATOM 1025 SG CYS A 73 -2.141 7.059 -5.569 1.00 1.65 S ATOM 0 H CYS A 73 -3.213 4.879 -8.241 1.00 0.63 H new ATOM 0 HA CYS A 73 -1.980 7.563 -8.468 1.00 0.63 H new ATOM 0 HB2 CYS A 73 -1.163 5.193 -6.741 1.00 0.72 H new ATOM 0 HB3 CYS A 73 -0.205 6.646 -6.946 1.00 0.72 H new ATOM 1030 N GLY A 74 -1.558 5.320 -10.414 1.00 0.61 N ATOM 1031 CA GLY A 74 -0.833 4.968 -11.626 1.00 0.67 C ATOM 1032 C GLY A 74 0.136 3.817 -11.447 1.00 0.66 C ATOM 1033 O GLY A 74 1.122 3.713 -12.182 1.00 0.96 O ATOM 0 H GLY A 74 -2.535 5.026 -10.402 1.00 0.61 H new ATOM 0 HA2 GLY A 74 -1.550 4.709 -12.405 1.00 0.67 H new ATOM 0 HA3 GLY A 74 -0.284 5.842 -11.976 1.00 0.67 H new ATOM 1037 N VAL A 75 -0.137 2.940 -10.494 1.00 0.55 N ATOM 1038 CA VAL A 75 0.741 1.807 -10.240 1.00 0.61 C ATOM 1039 C VAL A 75 -0.033 0.491 -10.156 1.00 0.80 C ATOM 1040 O VAL A 75 -0.363 0.011 -9.073 1.00 1.70 O ATOM 1041 CB VAL A 75 1.587 2.005 -8.962 1.00 0.63 C ATOM 1042 CG1 VAL A 75 2.785 2.900 -9.235 1.00 1.09 C ATOM 1043 CG2 VAL A 75 0.752 2.583 -7.825 1.00 0.51 C ATOM 0 H VAL A 75 -0.955 2.989 -9.886 1.00 0.55 H new ATOM 0 HA VAL A 75 1.418 1.752 -11.092 1.00 0.61 H new ATOM 0 HB VAL A 75 1.946 1.022 -8.657 1.00 0.63 H new ATOM 0 HG11 VAL A 75 3.363 3.023 -8.319 1.00 1.09 H new ATOM 0 HG12 VAL A 75 3.412 2.445 -10.002 1.00 1.09 H new ATOM 0 HG13 VAL A 75 2.440 3.875 -9.580 1.00 1.09 H new ATOM 0 HG21 VAL A 75 1.378 2.709 -6.942 1.00 0.51 H new ATOM 0 HG22 VAL A 75 0.348 3.550 -8.125 1.00 0.51 H new ATOM 0 HG23 VAL A 75 -0.068 1.903 -7.594 1.00 0.51 H new ATOM 1053 N ASN A 76 -0.338 -0.074 -11.313 1.00 0.78 N ATOM 1054 CA ASN A 76 -1.027 -1.356 -11.384 1.00 0.90 C ATOM 1055 C ASN A 76 -0.041 -2.513 -11.296 1.00 0.81 C ATOM 1056 O ASN A 76 0.531 -2.930 -12.303 1.00 0.99 O ATOM 1057 CB ASN A 76 -1.831 -1.491 -12.686 1.00 1.23 C ATOM 1058 CG ASN A 76 -3.121 -0.697 -12.692 1.00 1.70 C ATOM 1059 OD1 ASN A 76 -3.224 0.372 -12.089 1.00 2.27 O ATOM 1060 ND2 ASN A 76 -4.120 -1.225 -13.382 1.00 2.31 N ATOM 0 H ASN A 76 -0.119 0.336 -12.221 1.00 0.78 H new ATOM 0 HA ASN A 76 -1.710 -1.393 -10.536 1.00 0.90 H new ATOM 0 HB2 ASN A 76 -1.211 -1.165 -13.521 1.00 1.23 H new ATOM 0 HB3 ASN A 76 -2.062 -2.543 -12.852 1.00 1.23 H new ATOM 0 HD21 ASN A 76 -5.018 -0.744 -13.429 1.00 2.31 H new ATOM 0 HD22 ASN A 76 -3.992 -2.113 -13.867 1.00 2.31 H new ATOM 1067 N ILE A 77 0.183 -3.008 -10.091 1.00 0.78 N ATOM 1068 CA ILE A 77 0.965 -4.225 -9.915 1.00 0.91 C ATOM 1069 C ILE A 77 0.056 -5.438 -9.749 1.00 0.85 C ATOM 1070 O ILE A 77 -1.085 -5.311 -9.292 1.00 0.82 O ATOM 1071 CB ILE A 77 1.970 -4.166 -8.733 1.00 1.19 C ATOM 1072 CG1 ILE A 77 1.635 -3.079 -7.704 1.00 1.12 C ATOM 1073 CG2 ILE A 77 3.380 -3.952 -9.265 1.00 1.83 C ATOM 1074 CD1 ILE A 77 0.315 -3.232 -6.981 1.00 1.17 C ATOM 0 H ILE A 77 -0.161 -2.592 -9.225 1.00 0.78 H new ATOM 0 HA ILE A 77 1.555 -4.319 -10.826 1.00 0.91 H new ATOM 0 HB ILE A 77 1.899 -5.122 -8.215 1.00 1.19 H new ATOM 0 HG12 ILE A 77 2.432 -3.052 -6.961 1.00 1.12 H new ATOM 0 HG13 ILE A 77 1.639 -2.114 -8.211 1.00 1.12 H new ATOM 0 HG21 ILE A 77 4.081 -3.911 -8.431 1.00 1.83 H new ATOM 0 HG22 ILE A 77 3.649 -4.776 -9.925 1.00 1.83 H new ATOM 0 HG23 ILE A 77 3.421 -3.015 -9.820 1.00 1.83 H new ATOM 0 HD11 ILE A 77 0.186 -2.407 -6.280 1.00 1.17 H new ATOM 0 HD12 ILE A 77 -0.500 -3.223 -7.705 1.00 1.17 H new ATOM 0 HD13 ILE A 77 0.306 -4.176 -6.436 1.00 1.17 H new ATOM 1086 N PRO A 78 0.548 -6.630 -10.140 1.00 0.96 N ATOM 1087 CA PRO A 78 -0.212 -7.878 -10.047 1.00 1.03 C ATOM 1088 C PRO A 78 -0.443 -8.320 -8.605 1.00 0.91 C ATOM 1089 O PRO A 78 -1.311 -9.159 -8.339 1.00 1.28 O ATOM 1090 CB PRO A 78 0.661 -8.907 -10.785 1.00 1.24 C ATOM 1091 CG PRO A 78 1.669 -8.102 -11.534 1.00 1.35 C ATOM 1092 CD PRO A 78 1.876 -6.855 -10.730 1.00 1.15 C ATOM 0 HA PRO A 78 -1.208 -7.765 -10.475 1.00 1.03 H new ATOM 0 HB2 PRO A 78 1.144 -9.588 -10.084 1.00 1.24 H new ATOM 0 HB3 PRO A 78 0.063 -9.517 -11.462 1.00 1.24 H new ATOM 0 HG2 PRO A 78 2.603 -8.653 -11.648 1.00 1.35 H new ATOM 0 HG3 PRO A 78 1.314 -7.866 -12.537 1.00 1.35 H new ATOM 0 HD2 PRO A 78 2.642 -6.988 -9.966 1.00 1.15 H new ATOM 0 HD3 PRO A 78 2.190 -6.018 -11.354 1.00 1.15 H new ATOM 1100 N TYR A 79 0.328 -7.770 -7.671 1.00 0.89 N ATOM 1101 CA TYR A 79 0.126 -8.099 -6.273 1.00 0.80 C ATOM 1102 C TYR A 79 -0.938 -7.200 -5.676 1.00 0.85 C ATOM 1103 O TYR A 79 -1.016 -6.012 -5.988 1.00 1.07 O ATOM 1104 CB TYR A 79 1.429 -8.041 -5.457 1.00 0.91 C ATOM 1105 CG TYR A 79 2.084 -6.676 -5.307 1.00 0.81 C ATOM 1106 CD1 TYR A 79 1.580 -5.712 -4.430 1.00 0.99 C ATOM 1107 CD2 TYR A 79 3.256 -6.379 -5.992 1.00 0.84 C ATOM 1108 CE1 TYR A 79 2.226 -4.502 -4.256 1.00 1.13 C ATOM 1109 CE2 TYR A 79 3.896 -5.171 -5.829 1.00 0.99 C ATOM 1110 CZ TYR A 79 3.382 -4.239 -4.959 1.00 1.10 C ATOM 1111 OH TYR A 79 4.039 -3.042 -4.786 1.00 1.38 O ATOM 0 H TYR A 79 1.082 -7.108 -7.856 1.00 0.89 H new ATOM 0 HA TYR A 79 -0.216 -9.133 -6.225 1.00 0.80 H new ATOM 0 HB2 TYR A 79 1.223 -8.430 -4.460 1.00 0.91 H new ATOM 0 HB3 TYR A 79 2.150 -8.715 -5.920 1.00 0.91 H new ATOM 0 HD1 TYR A 79 0.673 -5.915 -3.880 1.00 0.99 H new ATOM 0 HD2 TYR A 79 3.674 -7.112 -6.667 1.00 0.84 H new ATOM 0 HE1 TYR A 79 1.827 -3.767 -3.573 1.00 1.13 H new ATOM 0 HE2 TYR A 79 4.798 -4.956 -6.382 1.00 0.99 H new ATOM 0 HH TYR A 79 4.575 -3.079 -3.966 1.00 1.38 H new ATOM 1121 N LYS A 80 -1.782 -7.777 -4.845 1.00 0.87 N ATOM 1122 CA LYS A 80 -2.868 -7.033 -4.253 1.00 1.11 C ATOM 1123 C LYS A 80 -2.649 -6.839 -2.768 1.00 1.06 C ATOM 1124 O LYS A 80 -1.929 -7.597 -2.125 1.00 1.49 O ATOM 1125 CB LYS A 80 -4.205 -7.731 -4.514 1.00 1.41 C ATOM 1126 CG LYS A 80 -4.530 -7.852 -5.994 1.00 2.02 C ATOM 1127 CD LYS A 80 -4.460 -6.496 -6.676 1.00 2.55 C ATOM 1128 CE LYS A 80 -5.698 -5.657 -6.400 1.00 3.04 C ATOM 1129 NZ LYS A 80 -6.882 -6.144 -7.158 1.00 3.48 N ATOM 0 H LYS A 80 -1.735 -8.757 -4.567 1.00 0.87 H new ATOM 0 HA LYS A 80 -2.896 -6.049 -4.720 1.00 1.11 H new ATOM 0 HB2 LYS A 80 -4.182 -8.726 -4.070 1.00 1.41 H new ATOM 0 HB3 LYS A 80 -5.001 -7.178 -4.016 1.00 1.41 H new ATOM 0 HG2 LYS A 80 -3.830 -8.539 -6.469 1.00 2.02 H new ATOM 0 HG3 LYS A 80 -5.527 -8.275 -6.118 1.00 2.02 H new ATOM 0 HD2 LYS A 80 -3.575 -5.961 -6.331 1.00 2.55 H new ATOM 0 HD3 LYS A 80 -4.349 -6.636 -7.751 1.00 2.55 H new ATOM 0 HE2 LYS A 80 -5.918 -5.676 -5.333 1.00 3.04 H new ATOM 0 HE3 LYS A 80 -5.499 -4.619 -6.666 1.00 3.04 H new ATOM 0 HZ1 LYS A 80 -7.655 -5.453 -7.077 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -6.628 -6.263 -8.159 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -7.192 -7.057 -6.768 1.00 3.48 H new ATOM 1143 N ILE A 81 -3.290 -5.814 -2.239 1.00 1.13 N ATOM 1144 CA ILE A 81 -3.204 -5.487 -0.829 1.00 1.19 C ATOM 1145 C ILE A 81 -4.095 -6.462 -0.040 1.00 1.22 C ATOM 1146 O ILE A 81 -4.204 -6.408 1.186 1.00 1.37 O ATOM 1147 CB ILE A 81 -3.601 -3.996 -0.577 1.00 1.52 C ATOM 1148 CG1 ILE A 81 -2.642 -3.023 -1.293 1.00 2.09 C ATOM 1149 CG2 ILE A 81 -3.599 -3.666 0.905 1.00 1.88 C ATOM 1150 CD1 ILE A 81 -2.698 -3.044 -2.809 1.00 2.55 C ATOM 0 H ILE A 81 -3.886 -5.184 -2.776 1.00 1.13 H new ATOM 0 HA ILE A 81 -2.175 -5.596 -0.485 1.00 1.19 H new ATOM 0 HB ILE A 81 -4.607 -3.875 -0.979 1.00 1.52 H new ATOM 0 HG12 ILE A 81 -2.860 -2.011 -0.953 1.00 2.09 H new ATOM 0 HG13 ILE A 81 -1.623 -3.251 -0.982 1.00 2.09 H new ATOM 0 HG21 ILE A 81 -3.879 -2.622 1.046 1.00 1.88 H new ATOM 0 HG22 ILE A 81 -4.314 -4.306 1.421 1.00 1.88 H new ATOM 0 HG23 ILE A 81 -2.602 -3.832 1.313 1.00 1.88 H new ATOM 0 HD11 ILE A 81 -1.985 -2.323 -3.209 1.00 2.55 H new ATOM 0 HD12 ILE A 81 -2.446 -4.042 -3.169 1.00 2.55 H new ATOM 0 HD13 ILE A 81 -3.703 -2.782 -3.140 1.00 2.55 H new ATOM 1162 N SER A 82 -4.718 -7.377 -0.775 1.00 1.31 N ATOM 1163 CA SER A 82 -5.499 -8.452 -0.178 1.00 1.50 C ATOM 1164 C SER A 82 -4.608 -9.337 0.700 1.00 1.47 C ATOM 1165 O SER A 82 -3.448 -9.588 0.369 1.00 1.81 O ATOM 1166 CB SER A 82 -6.140 -9.290 -1.282 1.00 1.79 C ATOM 1167 OG SER A 82 -6.757 -8.464 -2.263 1.00 2.45 O ATOM 0 H SER A 82 -4.696 -7.394 -1.795 1.00 1.31 H new ATOM 0 HA SER A 82 -6.279 -8.018 0.448 1.00 1.50 H new ATOM 0 HB2 SER A 82 -5.382 -9.915 -1.754 1.00 1.79 H new ATOM 0 HB3 SER A 82 -6.882 -9.961 -0.849 1.00 1.79 H new ATOM 0 HG SER A 82 -6.874 -7.560 -1.903 1.00 2.45 H new ATOM 1173 N THR A 83 -5.159 -9.828 1.806 1.00 1.47 N ATOM 1174 CA THR A 83 -4.393 -10.615 2.773 1.00 1.50 C ATOM 1175 C THR A 83 -3.975 -11.978 2.211 1.00 1.59 C ATOM 1176 O THR A 83 -3.141 -12.674 2.798 1.00 1.72 O ATOM 1177 CB THR A 83 -5.205 -10.831 4.063 1.00 1.65 C ATOM 1178 OG1 THR A 83 -6.510 -11.329 3.734 1.00 2.04 O ATOM 1179 CG2 THR A 83 -5.335 -9.536 4.851 1.00 1.68 C ATOM 0 H THR A 83 -6.138 -9.695 2.058 1.00 1.47 H new ATOM 0 HA THR A 83 -3.491 -10.045 2.993 1.00 1.50 H new ATOM 0 HB THR A 83 -4.678 -11.557 4.682 1.00 1.65 H new ATOM 0 HG1 THR A 83 -7.024 -11.467 4.557 1.00 2.04 H new ATOM 0 HG21 THR A 83 -5.913 -9.718 5.757 1.00 1.68 H new ATOM 0 HG22 THR A 83 -4.343 -9.173 5.120 1.00 1.68 H new ATOM 0 HG23 THR A 83 -5.842 -8.788 4.241 1.00 1.68 H new ATOM 1187 N SER A 84 -4.548 -12.348 1.075 1.00 1.68 N ATOM 1188 CA SER A 84 -4.274 -13.635 0.453 1.00 1.82 C ATOM 1189 C SER A 84 -2.989 -13.598 -0.375 1.00 1.55 C ATOM 1190 O SER A 84 -2.484 -14.636 -0.807 1.00 1.77 O ATOM 1191 CB SER A 84 -5.463 -14.024 -0.423 1.00 2.22 C ATOM 1192 OG SER A 84 -5.959 -12.891 -1.122 1.00 2.76 O ATOM 0 H SER A 84 -5.212 -11.769 0.561 1.00 1.68 H new ATOM 0 HA SER A 84 -4.130 -14.379 1.236 1.00 1.82 H new ATOM 0 HB2 SER A 84 -5.162 -14.794 -1.134 1.00 2.22 H new ATOM 0 HB3 SER A 84 -6.253 -14.452 0.195 1.00 2.22 H new ATOM 0 HG SER A 84 -6.719 -13.158 -1.680 1.00 2.76 H new ATOM 1198 N THR A 85 -2.464 -12.399 -0.591 1.00 1.28 N ATOM 1199 CA THR A 85 -1.261 -12.222 -1.387 1.00 1.11 C ATOM 1200 C THR A 85 -0.028 -12.657 -0.609 1.00 0.96 C ATOM 1201 O THR A 85 0.084 -12.401 0.592 1.00 1.52 O ATOM 1202 CB THR A 85 -1.102 -10.750 -1.803 1.00 1.30 C ATOM 1203 OG1 THR A 85 -2.336 -10.262 -2.341 1.00 2.05 O ATOM 1204 CG2 THR A 85 0.002 -10.584 -2.836 1.00 0.91 C ATOM 0 H THR A 85 -2.856 -11.532 -0.223 1.00 1.28 H new ATOM 0 HA THR A 85 -1.358 -12.843 -2.278 1.00 1.11 H new ATOM 0 HB THR A 85 -0.831 -10.177 -0.916 1.00 1.30 H new ATOM 0 HG1 THR A 85 -2.383 -9.290 -2.223 1.00 2.05 H new ATOM 0 HG21 THR A 85 0.089 -9.532 -3.109 1.00 0.91 H new ATOM 0 HG22 THR A 85 0.947 -10.930 -2.417 1.00 0.91 H new ATOM 0 HG23 THR A 85 -0.238 -11.171 -3.723 1.00 0.91 H new ATOM 1212 N ASN A 86 0.889 -13.332 -1.281 1.00 1.23 N ATOM 1213 CA ASN A 86 2.153 -13.679 -0.665 1.00 1.36 C ATOM 1214 C ASN A 86 3.245 -12.759 -1.206 1.00 1.10 C ATOM 1215 O ASN A 86 3.649 -12.845 -2.363 1.00 1.53 O ATOM 1216 CB ASN A 86 2.487 -15.171 -0.859 1.00 1.81 C ATOM 1217 CG ASN A 86 2.758 -15.585 -2.296 1.00 2.40 C ATOM 1218 OD1 ASN A 86 3.905 -15.584 -2.749 1.00 3.05 O ATOM 1219 ND2 ASN A 86 1.717 -15.973 -3.013 1.00 2.73 N ATOM 0 H ASN A 86 0.781 -13.647 -2.245 1.00 1.23 H new ATOM 0 HA ASN A 86 2.083 -13.529 0.412 1.00 1.36 H new ATOM 0 HB2 ASN A 86 3.361 -15.414 -0.255 1.00 1.81 H new ATOM 0 HB3 ASN A 86 1.659 -15.767 -0.475 1.00 1.81 H new ATOM 0 HD21 ASN A 86 1.848 -16.285 -3.975 1.00 2.73 H new ATOM 0 HD22 ASN A 86 0.783 -15.960 -2.604 1.00 2.73 H new ATOM 1226 N CYS A 87 3.679 -11.837 -0.365 1.00 0.87 N ATOM 1227 CA CYS A 87 4.645 -10.826 -0.768 1.00 0.72 C ATOM 1228 C CYS A 87 6.057 -11.266 -0.429 1.00 0.83 C ATOM 1229 O CYS A 87 7.017 -10.517 -0.605 1.00 1.10 O ATOM 1230 CB CYS A 87 4.339 -9.509 -0.074 1.00 0.90 C ATOM 1231 SG CYS A 87 2.619 -8.935 -0.280 1.00 1.71 S ATOM 0 H CYS A 87 3.377 -11.766 0.607 1.00 0.87 H new ATOM 0 HA CYS A 87 4.571 -10.693 -1.847 1.00 0.72 H new ATOM 0 HB2 CYS A 87 4.550 -9.615 0.990 1.00 0.90 H new ATOM 0 HB3 CYS A 87 5.014 -8.744 -0.458 1.00 0.90 H new ATOM 1236 N ASN A 88 6.180 -12.494 0.045 1.00 0.91 N ATOM 1237 CA ASN A 88 7.475 -13.055 0.389 1.00 1.09 C ATOM 1238 C ASN A 88 8.118 -13.687 -0.836 1.00 1.10 C ATOM 1239 O ASN A 88 9.047 -14.484 -0.728 1.00 1.24 O ATOM 1240 CB ASN A 88 7.348 -14.077 1.525 1.00 1.38 C ATOM 1241 CG ASN A 88 6.412 -15.229 1.214 1.00 2.04 C ATOM 1242 OD1 ASN A 88 5.441 -15.084 0.471 1.00 2.76 O ATOM 1243 ND2 ASN A 88 6.692 -16.381 1.797 1.00 2.55 N ATOM 0 H ASN A 88 5.394 -13.125 0.201 1.00 0.91 H new ATOM 0 HA ASN A 88 8.116 -12.246 0.739 1.00 1.09 H new ATOM 0 HB2 ASN A 88 8.336 -14.476 1.753 1.00 1.38 H new ATOM 0 HB3 ASN A 88 6.995 -13.567 2.421 1.00 1.38 H new ATOM 0 HD21 ASN A 88 6.094 -17.192 1.638 1.00 2.55 H new ATOM 0 HD22 ASN A 88 7.506 -16.460 2.406 1.00 2.55 H new ATOM 1250 N SER A 89 7.623 -13.305 -2.003 1.00 1.12 N ATOM 1251 CA SER A 89 8.196 -13.733 -3.256 1.00 1.29 C ATOM 1252 C SER A 89 8.316 -12.518 -4.167 1.00 1.42 C ATOM 1253 O SER A 89 9.326 -11.813 -4.121 1.00 2.21 O ATOM 1254 CB SER A 89 7.337 -14.832 -3.895 1.00 1.53 C ATOM 1255 OG SER A 89 5.980 -14.422 -4.021 1.00 2.11 O ATOM 0 H SER A 89 6.815 -12.691 -2.101 1.00 1.12 H new ATOM 0 HA SER A 89 9.186 -14.159 -3.091 1.00 1.29 H new ATOM 0 HB2 SER A 89 7.736 -15.082 -4.878 1.00 1.53 H new ATOM 0 HB3 SER A 89 7.391 -15.737 -3.289 1.00 1.53 H new ATOM 0 HG SER A 89 5.430 -14.908 -3.372 1.00 2.11 H new ATOM 1261 N ILE A 90 7.246 -12.266 -4.931 1.00 1.14 N ATOM 1262 CA ILE A 90 7.089 -11.081 -5.788 1.00 1.35 C ATOM 1263 C ILE A 90 8.386 -10.678 -6.501 1.00 1.76 C ATOM 1264 O ILE A 90 9.276 -11.505 -6.704 1.00 2.17 O ATOM 1265 CB ILE A 90 6.516 -9.871 -4.991 1.00 1.10 C ATOM 1266 CG1 ILE A 90 7.492 -9.390 -3.907 1.00 1.08 C ATOM 1267 CG2 ILE A 90 5.177 -10.244 -4.369 1.00 1.14 C ATOM 1268 CD1 ILE A 90 7.013 -8.168 -3.152 1.00 0.97 C ATOM 0 H ILE A 90 6.444 -12.895 -4.972 1.00 1.14 H new ATOM 0 HA ILE A 90 6.373 -11.367 -6.559 1.00 1.35 H new ATOM 0 HB ILE A 90 6.372 -9.048 -5.691 1.00 1.10 H new ATOM 0 HG12 ILE A 90 7.661 -10.200 -3.198 1.00 1.08 H new ATOM 0 HG13 ILE A 90 8.453 -9.166 -4.370 1.00 1.08 H new ATOM 0 HG21 ILE A 90 4.784 -9.392 -3.814 1.00 1.14 H new ATOM 0 HG22 ILE A 90 4.475 -10.520 -5.156 1.00 1.14 H new ATOM 0 HG23 ILE A 90 5.313 -11.087 -3.692 1.00 1.14 H new ATOM 0 HD11 ILE A 90 7.755 -7.889 -2.404 1.00 0.97 H new ATOM 0 HD12 ILE A 90 6.871 -7.342 -3.849 1.00 0.97 H new ATOM 0 HD13 ILE A 90 6.067 -8.393 -2.659 1.00 0.97 H new ATOM 1280 N ASN A 91 8.430 -9.414 -6.922 1.00 2.27 N ATOM 1281 CA ASN A 91 9.606 -8.792 -7.552 1.00 2.91 C ATOM 1282 C ASN A 91 9.157 -7.577 -8.351 1.00 3.60 C ATOM 1283 O ASN A 91 8.890 -7.726 -9.566 1.00 4.24 O ATOM 1284 CB ASN A 91 10.362 -9.742 -8.490 1.00 3.41 C ATOM 1285 CG ASN A 91 11.761 -9.241 -8.803 1.00 4.21 C ATOM 1286 OD1 ASN A 91 12.724 -9.578 -8.109 1.00 4.78 O ATOM 1287 ND2 ASN A 91 11.885 -8.430 -9.842 1.00 4.68 N ATOM 1288 OXT ASN A 91 9.029 -6.488 -7.761 1.00 3.95 O ATOM 0 H ASN A 91 7.637 -8.778 -6.835 1.00 2.27 H new ATOM 0 HA ASN A 91 10.288 -8.516 -6.748 1.00 2.91 H new ATOM 0 HB2 ASN A 91 10.425 -10.729 -8.032 1.00 3.41 H new ATOM 0 HB3 ASN A 91 9.802 -9.856 -9.418 1.00 3.41 H new ATOM 0 HD21 ASN A 91 12.802 -8.060 -10.094 1.00 4.68 H new ATOM 0 HD22 ASN A 91 11.064 -8.175 -10.391 1.00 4.68 H new TER 1295 ASN A 91