USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=20 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 64 ASN : amide:sc= -0.0444 X(o=1.2,f=1.1) USER MOD Set 1.2: A 65 ASN : amide:sc= 1.26 K(o=1.2,f=-5!) USER MOD Set 2.1: A 52 LYS NZ :NH3+ -157:sc= 1.25 (180deg=-0.267) USER MOD Set 2.2: A 83 THR OG1 : rot 30:sc= -0.0387 USER MOD Set 3.1: A 33 ASN : amide:sc= -1.71! X(o=-1.7!,f=-2.1) USER MOD Set 3.2: A 37 SER OG : rot 180:sc= -0.0109 USER MOD Set 4.1: A 32 LYS NZ :NH3+ -105:sc= 0.356 (180deg=0) USER MOD Set 4.2: A 36 ASN : amide:sc= 0 K(o=0.36,f=-1.6) USER MOD Set 5.1: A 2 THR OG1 : rot 180:sc= -0.922 USER MOD Set 5.2: A 5 GLN : amide:sc= -4.47! C(o=-5.4!,f=-14!) USER MOD Single : A 1 MET CE :methyl -153:sc= -0.832 (180deg=-2.01) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.25 (180deg=1.13) USER MOD Single : A 7 GLN : amide:sc= -0.948 K(o=-0.95,f=-5.3!) USER MOD Single : A 9 ASN : amide:sc= -7.57! C(o=-7.6!,f=-9!) USER MOD Single : A 12 GLN : amide:sc= -3.09! C(o=-3.1!,f=-7.7!) USER MOD Single : A 18 GLN : amide:sc= -1.73! C(o=-1.7!,f=-4.6!) 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 71:sc= 1.05 USER MOD Single : A 38 SER OG : rot 43:sc= 1.17 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.249 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00711 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.97! K(o=-2!,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -170:sc=-0.000683 (180deg=-0.116) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 171:sc= 0.655 (180deg=0.455) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0132 USER MOD Single : A 84 SER OG : rot -45:sc= 0.0959 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 86 ASN : amide:sc= -0.16 K(o=-0.16,f=-2.4!) USER MOD Single : A 88 ASN : amide:sc= -0.0909 K(o=-0.091,f=-2.2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.146 0.439 3.429 1.00 1.70 N ATOM 2 CA MET A 1 12.158 -0.255 4.288 1.00 1.61 C ATOM 3 C MET A 1 12.392 0.036 5.757 1.00 0.88 C ATOM 4 O MET A 1 13.496 -0.131 6.274 1.00 1.16 O ATOM 5 CB MET A 1 12.221 -1.767 4.067 1.00 2.50 C ATOM 6 CG MET A 1 11.447 -2.565 5.106 1.00 2.77 C ATOM 7 SD MET A 1 9.663 -2.506 4.868 1.00 2.91 S ATOM 8 CE MET A 1 9.129 -3.594 6.186 1.00 2.61 C ATOM 0 H1 MET A 1 13.284 -0.102 2.552 1.00 1.70 H new ATOM 0 H2 MET A 1 12.796 1.391 3.197 1.00 1.70 H new ATOM 0 H3 MET A 1 14.052 0.517 3.934 1.00 1.70 H new ATOM 0 HA MET A 1 11.173 0.120 4.008 1.00 1.61 H new ATOM 0 HB2 MET A 1 11.829 -1.998 3.077 1.00 2.50 H new ATOM 0 HB3 MET A 1 13.264 -2.085 4.079 1.00 2.50 H new ATOM 0 HG2 MET A 1 11.776 -3.604 5.075 1.00 2.77 H new ATOM 0 HG3 MET A 1 11.687 -2.184 6.099 1.00 2.77 H new ATOM 0 HE1 MET A 1 8.175 -4.048 5.919 1.00 2.61 H new ATOM 0 HE2 MET A 1 9.874 -4.376 6.337 1.00 2.61 H new ATOM 0 HE3 MET A 1 9.013 -3.021 7.106 1.00 2.61 H new ATOM 20 N THR A 2 11.342 0.483 6.420 1.00 0.65 N ATOM 21 CA THR A 2 11.359 0.613 7.859 1.00 1.13 C ATOM 22 C THR A 2 10.062 0.121 8.461 1.00 1.10 C ATOM 23 O THR A 2 9.875 0.180 9.673 1.00 1.86 O ATOM 24 CB THR A 2 11.576 2.069 8.279 1.00 1.75 C ATOM 25 OG1 THR A 2 10.833 2.924 7.409 1.00 2.36 O ATOM 26 CG2 THR A 2 13.048 2.447 8.253 1.00 2.63 C ATOM 0 H THR A 2 10.465 0.762 5.980 1.00 0.65 H new ATOM 0 HA THR A 2 12.185 0.005 8.226 1.00 1.13 H new ATOM 0 HB THR A 2 11.227 2.187 9.305 1.00 1.75 H new ATOM 0 HG1 THR A 2 10.967 3.858 7.675 1.00 2.36 H new ATOM 0 HG21 THR A 2 13.162 3.488 8.557 1.00 2.63 H new ATOM 0 HG22 THR A 2 13.601 1.806 8.940 1.00 2.63 H new ATOM 0 HG23 THR A 2 13.439 2.319 7.243 1.00 2.63 H new ATOM 34 N CYS A 3 9.166 -0.347 7.592 1.00 0.81 N ATOM 35 CA CYS A 3 7.778 -0.658 7.956 1.00 0.69 C ATOM 36 C CYS A 3 7.028 0.651 8.206 1.00 0.65 C ATOM 37 O CYS A 3 5.852 0.789 7.877 1.00 0.79 O ATOM 38 CB CYS A 3 7.701 -1.596 9.172 1.00 0.76 C ATOM 39 SG CYS A 3 6.042 -2.279 9.514 1.00 0.70 S ATOM 0 H CYS A 3 9.381 -0.523 6.610 1.00 0.81 H new ATOM 0 HA CYS A 3 7.306 -1.192 7.132 1.00 0.69 H new ATOM 0 HB2 CYS A 3 8.394 -2.423 9.018 1.00 0.76 H new ATOM 0 HB3 CYS A 3 8.043 -1.053 10.053 1.00 0.76 H new ATOM 44 N GLY A 4 7.748 1.632 8.732 1.00 0.57 N ATOM 45 CA GLY A 4 7.215 2.964 8.870 1.00 0.56 C ATOM 46 C GLY A 4 7.233 3.654 7.533 1.00 0.51 C ATOM 47 O GLY A 4 6.429 4.549 7.265 1.00 0.53 O ATOM 0 H GLY A 4 8.705 1.522 9.069 1.00 0.57 H new ATOM 0 HA2 GLY A 4 6.196 2.921 9.255 1.00 0.56 H new ATOM 0 HA3 GLY A 4 7.805 3.530 9.591 1.00 0.56 H new ATOM 51 N GLN A 5 8.164 3.223 6.685 1.00 0.52 N ATOM 52 CA GLN A 5 8.189 3.658 5.306 1.00 0.51 C ATOM 53 C GLN A 5 6.978 3.086 4.585 1.00 0.46 C ATOM 54 O GLN A 5 6.393 3.741 3.729 1.00 0.52 O ATOM 55 CB GLN A 5 9.532 3.282 4.639 1.00 0.60 C ATOM 56 CG GLN A 5 9.455 2.496 3.334 1.00 0.62 C ATOM 57 CD GLN A 5 9.100 1.042 3.554 1.00 0.81 C ATOM 58 OE1 GLN A 5 9.309 0.504 4.642 1.00 1.25 O ATOM 59 NE2 GLN A 5 8.602 0.388 2.522 1.00 0.96 N ATOM 0 H GLN A 5 8.908 2.572 6.937 1.00 0.52 H new ATOM 0 HA GLN A 5 8.124 4.745 5.249 1.00 0.51 H new ATOM 0 HB2 GLN A 5 10.087 4.201 4.450 1.00 0.60 H new ATOM 0 HB3 GLN A 5 10.115 2.699 5.353 1.00 0.60 H new ATOM 0 HG2 GLN A 5 8.712 2.954 2.681 1.00 0.62 H new ATOM 0 HG3 GLN A 5 10.413 2.559 2.819 1.00 0.62 H new ATOM 0 HE21 GLN A 5 8.445 0.873 1.639 1.00 0.96 H new ATOM 0 HE22 GLN A 5 8.374 -0.603 2.608 1.00 0.96 H new ATOM 68 N VAL A 6 6.581 1.869 4.976 1.00 0.43 N ATOM 69 CA VAL A 6 5.356 1.262 4.445 1.00 0.44 C ATOM 70 C VAL A 6 4.137 2.061 4.888 1.00 0.44 C ATOM 71 O VAL A 6 3.218 2.296 4.101 1.00 0.49 O ATOM 72 CB VAL A 6 5.164 -0.201 4.904 1.00 0.49 C ATOM 73 CG1 VAL A 6 3.890 -0.793 4.320 1.00 1.02 C ATOM 74 CG2 VAL A 6 6.349 -1.061 4.526 1.00 1.12 C ATOM 0 H VAL A 6 7.084 1.292 5.650 1.00 0.43 H new ATOM 0 HA VAL A 6 5.458 1.272 3.360 1.00 0.44 H new ATOM 0 HB VAL A 6 5.082 -0.188 5.991 1.00 0.49 H new ATOM 0 HG11 VAL A 6 3.779 -1.823 4.659 1.00 1.02 H new ATOM 0 HG12 VAL A 6 3.032 -0.208 4.651 1.00 1.02 H new ATOM 0 HG13 VAL A 6 3.945 -0.773 3.232 1.00 1.02 H new ATOM 0 HG21 VAL A 6 6.179 -2.083 4.864 1.00 1.12 H new ATOM 0 HG22 VAL A 6 6.474 -1.053 3.443 1.00 1.12 H new ATOM 0 HG23 VAL A 6 7.249 -0.667 4.998 1.00 1.12 H new ATOM 84 N GLN A 7 4.136 2.476 6.153 1.00 0.47 N ATOM 85 CA GLN A 7 3.041 3.272 6.698 1.00 0.54 C ATOM 86 C GLN A 7 2.839 4.539 5.877 1.00 0.58 C ATOM 87 O GLN A 7 1.722 5.018 5.740 1.00 0.70 O ATOM 88 CB GLN A 7 3.304 3.637 8.161 1.00 0.66 C ATOM 89 CG GLN A 7 3.398 2.434 9.086 1.00 0.98 C ATOM 90 CD GLN A 7 3.625 2.831 10.531 1.00 1.27 C ATOM 91 OE1 GLN A 7 4.763 2.991 10.973 1.00 1.97 O ATOM 92 NE2 GLN A 7 2.545 2.979 11.284 1.00 1.69 N ATOM 0 H GLN A 7 4.882 2.274 6.819 1.00 0.47 H new ATOM 0 HA GLN A 7 2.134 2.669 6.648 1.00 0.54 H new ATOM 0 HB2 GLN A 7 4.232 4.205 8.223 1.00 0.66 H new ATOM 0 HB3 GLN A 7 2.506 4.292 8.512 1.00 0.66 H new ATOM 0 HG2 GLN A 7 2.480 1.850 9.013 1.00 0.98 H new ATOM 0 HG3 GLN A 7 4.213 1.789 8.757 1.00 0.98 H new ATOM 0 HE21 GLN A 7 1.619 2.838 10.881 1.00 1.69 H new ATOM 0 HE22 GLN A 7 2.640 3.234 12.267 1.00 1.69 H new ATOM 101 N GLY A 8 3.921 5.052 5.301 1.00 0.60 N ATOM 102 CA GLY A 8 3.838 6.256 4.495 1.00 0.70 C ATOM 103 C GLY A 8 2.984 6.078 3.249 1.00 0.66 C ATOM 104 O GLY A 8 2.690 7.044 2.546 1.00 0.82 O ATOM 0 H GLY A 8 4.857 4.654 5.378 1.00 0.60 H new ATOM 0 HA2 GLY A 8 3.425 7.064 5.099 1.00 0.70 H new ATOM 0 HA3 GLY A 8 4.843 6.560 4.200 1.00 0.70 H new ATOM 108 N ASN A 9 2.608 4.840 2.969 1.00 0.58 N ATOM 109 CA ASN A 9 1.675 4.543 1.894 1.00 0.63 C ATOM 110 C ASN A 9 0.245 4.594 2.434 1.00 0.62 C ATOM 111 O ASN A 9 -0.548 5.464 2.066 1.00 0.78 O ATOM 112 CB ASN A 9 1.991 3.156 1.296 1.00 0.75 C ATOM 113 CG ASN A 9 1.083 2.761 0.137 1.00 1.30 C ATOM 114 OD1 ASN A 9 -0.083 3.133 0.074 1.00 1.86 O ATOM 115 ND2 ASN A 9 1.614 1.981 -0.792 1.00 1.86 N ATOM 0 H ASN A 9 2.938 4.019 3.476 1.00 0.58 H new ATOM 0 HA ASN A 9 1.774 5.286 1.102 1.00 0.63 H new ATOM 0 HB2 ASN A 9 3.026 3.146 0.954 1.00 0.75 H new ATOM 0 HB3 ASN A 9 1.908 2.405 2.082 1.00 0.75 H new ATOM 0 HD21 ASN A 9 1.050 1.675 -1.585 1.00 1.86 H new ATOM 0 HD22 ASN A 9 2.587 1.686 -0.715 1.00 1.86 H new ATOM 122 N LEU A 10 -0.055 3.699 3.365 1.00 0.56 N ATOM 123 CA LEU A 10 -1.427 3.490 3.811 1.00 0.66 C ATOM 124 C LEU A 10 -1.891 4.526 4.831 1.00 0.65 C ATOM 125 O LEU A 10 -3.091 4.752 4.965 1.00 0.72 O ATOM 126 CB LEU A 10 -1.611 2.077 4.385 1.00 0.89 C ATOM 127 CG LEU A 10 -1.642 0.937 3.358 1.00 1.00 C ATOM 128 CD1 LEU A 10 -2.622 1.251 2.238 1.00 1.45 C ATOM 129 CD2 LEU A 10 -0.257 0.660 2.797 1.00 1.73 C ATOM 0 H LEU A 10 0.634 3.105 3.827 1.00 0.56 H new ATOM 0 HA LEU A 10 -2.050 3.608 2.924 1.00 0.66 H new ATOM 0 HB2 LEU A 10 -0.802 1.884 5.090 1.00 0.89 H new ATOM 0 HB3 LEU A 10 -2.541 2.054 4.953 1.00 0.89 H new ATOM 0 HG LEU A 10 -1.979 0.036 3.870 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -2.629 0.431 1.520 1.00 1.45 H new ATOM 0 HD12 LEU A 10 -3.621 1.378 2.654 1.00 1.45 H new ATOM 0 HD13 LEU A 10 -2.319 2.170 1.736 1.00 1.45 H new ATOM 0 HD21 LEU A 10 -0.314 -0.153 2.073 1.00 1.73 H new ATOM 0 HD22 LEU A 10 0.123 1.557 2.307 1.00 1.73 H new ATOM 0 HD23 LEU A 10 0.414 0.377 3.608 1.00 1.73 H new ATOM 141 N ALA A 11 -0.964 5.200 5.510 1.00 0.62 N ATOM 142 CA ALA A 11 -1.342 6.134 6.564 1.00 0.69 C ATOM 143 C ALA A 11 -1.817 7.404 5.907 1.00 0.63 C ATOM 144 O ALA A 11 -2.565 8.198 6.473 1.00 0.72 O ATOM 145 CB ALA A 11 -0.165 6.410 7.493 1.00 0.77 C ATOM 0 H ALA A 11 0.040 5.118 5.351 1.00 0.62 H new ATOM 0 HA ALA A 11 -2.138 5.708 7.175 1.00 0.69 H new ATOM 0 HB1 ALA A 11 -0.472 7.109 8.271 1.00 0.77 H new ATOM 0 HB2 ALA A 11 0.163 5.477 7.952 1.00 0.77 H new ATOM 0 HB3 ALA A 11 0.657 6.841 6.921 1.00 0.77 H new ATOM 151 N GLN A 12 -1.380 7.547 4.676 1.00 0.56 N ATOM 152 CA GLN A 12 -1.703 8.685 3.856 1.00 0.53 C ATOM 153 C GLN A 12 -2.991 8.424 3.095 1.00 0.52 C ATOM 154 O GLN A 12 -3.843 9.300 2.968 1.00 0.60 O ATOM 155 CB GLN A 12 -0.546 8.942 2.896 1.00 0.56 C ATOM 156 CG GLN A 12 0.654 9.637 3.528 1.00 0.52 C ATOM 157 CD GLN A 12 0.985 9.177 4.941 1.00 1.30 C ATOM 158 OE1 GLN A 12 1.737 8.231 5.143 1.00 2.18 O ATOM 159 NE2 GLN A 12 0.431 9.859 5.933 1.00 1.88 N ATOM 0 H GLN A 12 -0.781 6.864 4.213 1.00 0.56 H new ATOM 0 HA GLN A 12 -1.853 9.567 4.479 1.00 0.53 H new ATOM 0 HB2 GLN A 12 -0.220 7.990 2.476 1.00 0.56 H new ATOM 0 HB3 GLN A 12 -0.907 9.549 2.066 1.00 0.56 H new ATOM 0 HG2 GLN A 12 1.526 9.475 2.894 1.00 0.52 H new ATOM 0 HG3 GLN A 12 0.467 10.711 3.545 1.00 0.52 H new ATOM 0 HE21 GLN A 12 -0.191 10.642 5.729 1.00 1.88 H new ATOM 0 HE22 GLN A 12 0.626 9.601 6.900 1.00 1.88 H new ATOM 168 N CYS A 13 -3.134 7.201 2.610 1.00 0.52 N ATOM 169 CA CYS A 13 -4.309 6.812 1.846 1.00 0.56 C ATOM 170 C CYS A 13 -5.519 6.601 2.742 1.00 0.53 C ATOM 171 O CYS A 13 -6.650 6.722 2.282 1.00 0.56 O ATOM 172 CB CYS A 13 -4.011 5.556 1.034 1.00 0.69 C ATOM 173 SG CYS A 13 -2.747 5.813 -0.246 1.00 1.23 S ATOM 0 H CYS A 13 -2.447 6.457 2.733 1.00 0.52 H new ATOM 0 HA CYS A 13 -4.552 7.627 1.164 1.00 0.56 H new ATOM 0 HB2 CYS A 13 -3.681 4.766 1.708 1.00 0.69 H new ATOM 0 HB3 CYS A 13 -4.931 5.209 0.563 1.00 0.69 H new ATOM 178 N ILE A 14 -5.282 6.305 4.019 1.00 0.58 N ATOM 179 CA ILE A 14 -6.361 6.107 4.994 1.00 0.67 C ATOM 180 C ILE A 14 -7.407 7.227 4.931 1.00 0.67 C ATOM 181 O ILE A 14 -8.600 6.979 5.112 1.00 0.77 O ATOM 182 CB ILE A 14 -5.792 5.993 6.430 1.00 0.80 C ATOM 183 CG1 ILE A 14 -5.567 4.515 6.787 1.00 0.98 C ATOM 184 CG2 ILE A 14 -6.702 6.677 7.444 1.00 1.04 C ATOM 185 CD1 ILE A 14 -5.028 4.299 8.185 1.00 1.11 C ATOM 0 H ILE A 14 -4.345 6.196 4.408 1.00 0.58 H new ATOM 0 HA ILE A 14 -6.857 5.173 4.732 1.00 0.67 H new ATOM 0 HB ILE A 14 -4.832 6.508 6.465 1.00 0.80 H new ATOM 0 HG12 ILE A 14 -6.510 3.979 6.685 1.00 0.98 H new ATOM 0 HG13 ILE A 14 -4.873 4.079 6.069 1.00 0.98 H new ATOM 0 HG21 ILE A 14 -6.274 6.579 8.442 1.00 1.04 H new ATOM 0 HG22 ILE A 14 -6.798 7.733 7.193 1.00 1.04 H new ATOM 0 HG23 ILE A 14 -7.686 6.209 7.424 1.00 1.04 H new ATOM 0 HD11 ILE A 14 -4.896 3.232 8.363 1.00 1.11 H new ATOM 0 HD12 ILE A 14 -4.068 4.806 8.287 1.00 1.11 H new ATOM 0 HD13 ILE A 14 -5.731 4.704 8.913 1.00 1.11 H new ATOM 197 N GLY A 15 -6.966 8.445 4.619 1.00 0.66 N ATOM 198 CA GLY A 15 -7.872 9.585 4.576 1.00 0.76 C ATOM 199 C GLY A 15 -8.843 9.548 3.421 1.00 0.86 C ATOM 200 O GLY A 15 -9.550 10.518 3.151 1.00 1.45 O ATOM 0 H GLY A 15 -5.995 8.664 4.395 1.00 0.66 H new ATOM 0 HA2 GLY A 15 -8.433 9.626 5.509 1.00 0.76 H new ATOM 0 HA3 GLY A 15 -7.285 10.502 4.516 1.00 0.76 H new ATOM 204 N PHE A 16 -8.866 8.428 2.743 1.00 0.61 N ATOM 205 CA PHE A 16 -9.859 8.153 1.737 1.00 0.60 C ATOM 206 C PHE A 16 -10.182 6.665 1.780 1.00 0.60 C ATOM 207 O PHE A 16 -11.330 6.252 1.664 1.00 0.69 O ATOM 208 CB PHE A 16 -9.319 8.588 0.378 1.00 0.59 C ATOM 209 CG PHE A 16 -8.940 7.457 -0.549 1.00 0.62 C ATOM 210 CD1 PHE A 16 -9.910 6.800 -1.294 1.00 0.73 C ATOM 211 CD2 PHE A 16 -7.622 7.046 -0.667 1.00 0.71 C ATOM 212 CE1 PHE A 16 -9.574 5.758 -2.132 1.00 0.86 C ATOM 213 CE2 PHE A 16 -7.280 6.003 -1.507 1.00 0.85 C ATOM 214 CZ PHE A 16 -8.261 5.356 -2.237 1.00 0.91 C ATOM 0 H PHE A 16 -8.190 7.676 2.875 1.00 0.61 H new ATOM 0 HA PHE A 16 -10.780 8.708 1.919 1.00 0.60 H new ATOM 0 HB2 PHE A 16 -10.070 9.205 -0.114 1.00 0.59 H new ATOM 0 HB3 PHE A 16 -8.443 9.217 0.536 1.00 0.59 H new ATOM 0 HD1 PHE A 16 -10.942 7.109 -1.216 1.00 0.73 H new ATOM 0 HD2 PHE A 16 -6.853 7.546 -0.096 1.00 0.71 H new ATOM 0 HE1 PHE A 16 -10.340 5.257 -2.706 1.00 0.86 H new ATOM 0 HE2 PHE A 16 -6.249 5.694 -1.593 1.00 0.85 H new ATOM 0 HZ PHE A 16 -7.997 4.536 -2.889 1.00 0.91 H new ATOM 224 N LEU A 17 -9.131 5.885 1.967 1.00 0.56 N ATOM 225 CA LEU A 17 -9.203 4.445 2.138 1.00 0.67 C ATOM 226 C LEU A 17 -10.185 4.062 3.250 1.00 0.79 C ATOM 227 O LEU A 17 -10.802 3.001 3.196 1.00 0.87 O ATOM 228 CB LEU A 17 -7.789 3.960 2.474 1.00 0.74 C ATOM 229 CG LEU A 17 -7.599 2.466 2.657 1.00 0.79 C ATOM 230 CD1 LEU A 17 -7.802 1.747 1.341 1.00 0.96 C ATOM 231 CD2 LEU A 17 -6.214 2.180 3.215 1.00 1.43 C ATOM 0 H LEU A 17 -8.178 6.247 2.005 1.00 0.56 H new ATOM 0 HA LEU A 17 -9.569 3.976 1.225 1.00 0.67 H new ATOM 0 HB2 LEU A 17 -7.119 4.292 1.681 1.00 0.74 H new ATOM 0 HB3 LEU A 17 -7.469 4.457 3.390 1.00 0.74 H new ATOM 0 HG LEU A 17 -8.341 2.100 3.367 1.00 0.79 H new ATOM 0 HD11 LEU A 17 -7.663 0.676 1.486 1.00 0.96 H new ATOM 0 HD12 LEU A 17 -8.811 1.935 0.975 1.00 0.96 H new ATOM 0 HD13 LEU A 17 -7.078 2.111 0.612 1.00 0.96 H new ATOM 0 HD21 LEU A 17 -6.088 1.105 3.343 1.00 1.43 H new ATOM 0 HD22 LEU A 17 -5.459 2.554 2.524 1.00 1.43 H new ATOM 0 HD23 LEU A 17 -6.101 2.675 4.179 1.00 1.43 H new ATOM 243 N GLN A 18 -10.331 4.928 4.253 1.00 0.87 N ATOM 244 CA GLN A 18 -11.220 4.670 5.361 1.00 1.07 C ATOM 245 C GLN A 18 -12.575 5.353 5.160 1.00 1.09 C ATOM 246 O GLN A 18 -13.606 4.685 5.105 1.00 1.20 O ATOM 247 CB GLN A 18 -10.567 5.146 6.657 1.00 1.25 C ATOM 248 CG GLN A 18 -11.476 5.050 7.856 1.00 1.08 C ATOM 249 CD GLN A 18 -10.867 5.651 9.107 1.00 1.33 C ATOM 250 OE1 GLN A 18 -11.007 6.845 9.370 1.00 1.73 O ATOM 251 NE2 GLN A 18 -10.199 4.829 9.899 1.00 2.00 N ATOM 0 H GLN A 18 -9.836 5.818 4.311 1.00 0.87 H new ATOM 0 HA GLN A 18 -11.401 3.597 5.418 1.00 1.07 H new ATOM 0 HB2 GLN A 18 -9.670 4.554 6.842 1.00 1.25 H new ATOM 0 HB3 GLN A 18 -10.247 6.181 6.535 1.00 1.25 H new ATOM 0 HG2 GLN A 18 -12.415 5.557 7.635 1.00 1.08 H new ATOM 0 HG3 GLN A 18 -11.715 4.003 8.041 1.00 1.08 H new ATOM 0 HE21 GLN A 18 -10.103 3.845 9.649 1.00 2.00 H new ATOM 0 HE22 GLN A 18 -9.779 5.179 10.760 1.00 2.00 H new ATOM 260 N LYS A 19 -12.581 6.684 5.052 1.00 1.06 N ATOM 261 CA LYS A 19 -13.837 7.430 4.964 1.00 1.21 C ATOM 262 C LYS A 19 -13.834 8.427 3.810 1.00 1.34 C ATOM 263 O LYS A 19 -14.523 9.445 3.864 1.00 2.08 O ATOM 264 CB LYS A 19 -14.093 8.182 6.271 1.00 1.41 C ATOM 265 CG LYS A 19 -14.235 7.277 7.480 1.00 1.98 C ATOM 266 CD LYS A 19 -14.511 8.070 8.745 1.00 2.69 C ATOM 267 CE LYS A 19 -13.350 8.981 9.109 1.00 3.29 C ATOM 268 NZ LYS A 19 -13.564 9.656 10.417 1.00 4.09 N ATOM 0 H LYS A 19 -11.740 7.261 5.024 1.00 1.06 H new ATOM 0 HA LYS A 19 -14.629 6.703 4.783 1.00 1.21 H new ATOM 0 HB2 LYS A 19 -13.273 8.879 6.445 1.00 1.41 H new ATOM 0 HB3 LYS A 19 -15.000 8.777 6.165 1.00 1.41 H new ATOM 0 HG2 LYS A 19 -15.045 6.568 7.311 1.00 1.98 H new ATOM 0 HG3 LYS A 19 -13.323 6.694 7.608 1.00 1.98 H new ATOM 0 HD2 LYS A 19 -15.412 8.668 8.609 1.00 2.69 H new ATOM 0 HD3 LYS A 19 -14.705 7.383 9.569 1.00 2.69 H new ATOM 0 HE2 LYS A 19 -12.430 8.398 9.147 1.00 3.29 H new ATOM 0 HE3 LYS A 19 -13.220 9.732 8.330 1.00 3.29 H new ATOM 0 HZ1 LYS A 19 -12.750 10.268 10.629 1.00 4.09 H new ATOM 0 HZ2 LYS A 19 -14.429 10.232 10.373 1.00 4.09 H new ATOM 0 HZ3 LYS A 19 -13.663 8.940 11.165 1.00 4.09 H new ATOM 282 N GLY A 20 -13.093 8.131 2.758 1.00 1.18 N ATOM 283 CA GLY A 20 -12.974 9.075 1.666 1.00 1.47 C ATOM 284 C GLY A 20 -13.478 8.525 0.350 1.00 1.29 C ATOM 285 O GLY A 20 -14.227 7.548 0.316 1.00 1.99 O ATOM 0 H GLY A 20 -12.574 7.261 2.638 1.00 1.18 H new ATOM 0 HA2 GLY A 20 -13.531 9.979 1.913 1.00 1.47 H new ATOM 0 HA3 GLY A 20 -11.929 9.364 1.556 1.00 1.47 H new ATOM 289 N GLY A 21 -13.053 9.155 -0.733 1.00 1.10 N ATOM 290 CA GLY A 21 -13.483 8.765 -2.059 1.00 1.37 C ATOM 291 C GLY A 21 -12.487 9.215 -3.090 1.00 1.26 C ATOM 292 O GLY A 21 -11.864 8.405 -3.781 1.00 1.79 O ATOM 0 H GLY A 21 -12.406 9.944 -0.715 1.00 1.10 H new ATOM 0 HA2 GLY A 21 -13.599 7.682 -2.106 1.00 1.37 H new ATOM 0 HA3 GLY A 21 -14.459 9.200 -2.274 1.00 1.37 H new ATOM 296 N VAL A 22 -12.361 10.523 -3.192 1.00 1.14 N ATOM 297 CA VAL A 22 -11.313 11.156 -3.971 1.00 1.00 C ATOM 298 C VAL A 22 -9.947 10.810 -3.380 1.00 0.82 C ATOM 299 O VAL A 22 -9.759 10.867 -2.163 1.00 0.87 O ATOM 300 CB VAL A 22 -11.519 12.691 -3.998 1.00 1.11 C ATOM 301 CG1 VAL A 22 -11.850 13.208 -2.604 1.00 1.92 C ATOM 302 CG2 VAL A 22 -10.297 13.408 -4.557 1.00 1.28 C ATOM 0 H VAL A 22 -12.988 11.183 -2.733 1.00 1.14 H new ATOM 0 HA VAL A 22 -11.357 10.785 -4.995 1.00 1.00 H new ATOM 0 HB VAL A 22 -12.359 12.903 -4.660 1.00 1.11 H new ATOM 0 HG11 VAL A 22 -11.992 14.288 -2.641 1.00 1.92 H new ATOM 0 HG12 VAL A 22 -12.765 12.734 -2.248 1.00 1.92 H new ATOM 0 HG13 VAL A 22 -11.031 12.972 -1.925 1.00 1.92 H new ATOM 0 HG21 VAL A 22 -10.476 14.483 -4.561 1.00 1.28 H new ATOM 0 HG22 VAL A 22 -9.430 13.187 -3.935 1.00 1.28 H new ATOM 0 HG23 VAL A 22 -10.109 13.067 -5.575 1.00 1.28 H new ATOM 312 N VAL A 23 -9.010 10.426 -4.232 1.00 0.71 N ATOM 313 CA VAL A 23 -7.684 10.044 -3.774 1.00 0.58 C ATOM 314 C VAL A 23 -6.745 11.240 -3.800 1.00 0.54 C ATOM 315 O VAL A 23 -6.552 11.867 -4.843 1.00 0.58 O ATOM 316 CB VAL A 23 -7.100 8.903 -4.623 1.00 0.58 C ATOM 317 CG1 VAL A 23 -5.713 8.512 -4.134 1.00 0.51 C ATOM 318 CG2 VAL A 23 -8.034 7.712 -4.590 1.00 0.69 C ATOM 0 H VAL A 23 -9.142 10.371 -5.242 1.00 0.71 H new ATOM 0 HA VAL A 23 -7.783 9.688 -2.749 1.00 0.58 H new ATOM 0 HB VAL A 23 -7.002 9.249 -5.652 1.00 0.58 H new ATOM 0 HG11 VAL A 23 -5.324 7.703 -4.752 1.00 0.51 H new ATOM 0 HG12 VAL A 23 -5.047 9.373 -4.201 1.00 0.51 H new ATOM 0 HG13 VAL A 23 -5.773 8.180 -3.098 1.00 0.51 H new ATOM 0 HG21 VAL A 23 -7.617 6.905 -5.193 1.00 0.69 H new ATOM 0 HG22 VAL A 23 -8.153 7.372 -3.561 1.00 0.69 H new ATOM 0 HG23 VAL A 23 -9.005 8.000 -4.992 1.00 0.69 H new ATOM 328 N PRO A 24 -6.167 11.585 -2.646 1.00 0.54 N ATOM 329 CA PRO A 24 -5.259 12.718 -2.517 1.00 0.58 C ATOM 330 C PRO A 24 -3.839 12.381 -2.983 1.00 0.55 C ATOM 331 O PRO A 24 -3.385 11.242 -2.853 1.00 0.47 O ATOM 332 CB PRO A 24 -5.280 13.024 -1.010 1.00 0.67 C ATOM 333 CG PRO A 24 -6.250 12.058 -0.401 1.00 0.81 C ATOM 334 CD PRO A 24 -6.358 10.916 -1.362 1.00 0.59 C ATOM 0 HA PRO A 24 -5.565 13.561 -3.137 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -4.288 12.906 -0.575 1.00 0.67 H new ATOM 0 HB3 PRO A 24 -5.588 14.053 -0.826 1.00 0.67 H new ATOM 0 HG2 PRO A 24 -5.900 11.716 0.573 1.00 0.81 H new ATOM 0 HG3 PRO A 24 -7.221 12.528 -0.244 1.00 0.81 H new ATOM 0 HD2 PRO A 24 -5.598 10.156 -1.180 1.00 0.59 H new ATOM 0 HD3 PRO A 24 -7.327 10.420 -1.300 1.00 0.59 H new ATOM 342 N PRO A 25 -3.115 13.381 -3.518 1.00 0.65 N ATOM 343 CA PRO A 25 -1.763 13.187 -4.066 1.00 0.67 C ATOM 344 C PRO A 25 -0.742 12.792 -3.003 1.00 0.66 C ATOM 345 O PRO A 25 0.340 12.310 -3.320 1.00 0.71 O ATOM 346 CB PRO A 25 -1.411 14.555 -4.659 1.00 0.81 C ATOM 347 CG PRO A 25 -2.289 15.522 -3.942 1.00 1.03 C ATOM 348 CD PRO A 25 -3.559 14.780 -3.641 1.00 0.81 C ATOM 0 HA PRO A 25 -1.742 12.373 -4.791 1.00 0.67 H new ATOM 0 HB2 PRO A 25 -0.358 14.791 -4.509 1.00 0.81 H new ATOM 0 HB3 PRO A 25 -1.593 14.578 -5.734 1.00 0.81 H new ATOM 0 HG2 PRO A 25 -1.816 15.874 -3.025 1.00 1.03 H new ATOM 0 HG3 PRO A 25 -2.486 16.400 -4.556 1.00 1.03 H new ATOM 0 HD2 PRO A 25 -4.025 15.136 -2.722 1.00 0.81 H new ATOM 0 HD3 PRO A 25 -4.293 14.900 -4.438 1.00 0.81 H new ATOM 356 N SER A 26 -1.107 12.970 -1.746 1.00 0.68 N ATOM 357 CA SER A 26 -0.226 12.645 -0.634 1.00 0.73 C ATOM 358 C SER A 26 -0.194 11.141 -0.456 1.00 0.65 C ATOM 359 O SER A 26 0.869 10.525 -0.368 1.00 0.68 O ATOM 360 CB SER A 26 -0.736 13.302 0.641 1.00 0.83 C ATOM 361 OG SER A 26 -0.948 14.691 0.450 1.00 0.91 O ATOM 0 H SER A 26 -2.015 13.341 -1.466 1.00 0.68 H new ATOM 0 HA SER A 26 0.778 13.014 -0.843 1.00 0.73 H new ATOM 0 HB2 SER A 26 -1.667 12.828 0.951 1.00 0.83 H new ATOM 0 HB3 SER A 26 -0.017 13.148 1.446 1.00 0.83 H new ATOM 0 HG SER A 26 -1.277 15.089 1.283 1.00 0.91 H new ATOM 367 N CYS A 27 -1.387 10.574 -0.401 1.00 0.58 N ATOM 368 CA CYS A 27 -1.570 9.140 -0.467 1.00 0.55 C ATOM 369 C CYS A 27 -0.870 8.592 -1.702 1.00 0.47 C ATOM 370 O CYS A 27 -0.108 7.631 -1.618 1.00 0.48 O ATOM 371 CB CYS A 27 -3.067 8.837 -0.505 1.00 0.57 C ATOM 372 SG CYS A 27 -3.520 7.305 -1.387 1.00 0.74 S ATOM 0 H CYS A 27 -2.256 11.099 -0.309 1.00 0.58 H new ATOM 0 HA CYS A 27 -1.134 8.661 0.410 1.00 0.55 H new ATOM 0 HB2 CYS A 27 -3.436 8.772 0.519 1.00 0.57 H new ATOM 0 HB3 CYS A 27 -3.581 9.675 -0.976 1.00 0.57 H new ATOM 377 N CYS A 28 -1.099 9.243 -2.836 1.00 0.42 N ATOM 378 CA CYS A 28 -0.485 8.835 -4.090 1.00 0.40 C ATOM 379 C CYS A 28 1.036 8.822 -4.007 1.00 0.45 C ATOM 380 O CYS A 28 1.679 7.876 -4.465 1.00 0.50 O ATOM 381 CB CYS A 28 -0.960 9.723 -5.238 1.00 0.45 C ATOM 382 SG CYS A 28 -2.633 9.298 -5.801 1.00 1.40 S ATOM 0 H CYS A 28 -1.708 10.058 -2.911 1.00 0.42 H new ATOM 0 HA CYS A 28 -0.803 7.811 -4.288 1.00 0.40 H new ATOM 0 HB2 CYS A 28 -0.942 10.765 -4.918 1.00 0.45 H new ATOM 0 HB3 CYS A 28 -0.266 9.634 -6.073 1.00 0.45 H new ATOM 387 N THR A 29 1.607 9.859 -3.415 1.00 0.51 N ATOM 388 CA THR A 29 3.043 9.925 -3.215 1.00 0.58 C ATOM 389 C THR A 29 3.525 8.753 -2.361 1.00 0.54 C ATOM 390 O THR A 29 4.582 8.177 -2.623 1.00 0.56 O ATOM 391 CB THR A 29 3.442 11.263 -2.558 1.00 0.72 C ATOM 392 OG1 THR A 29 3.133 12.349 -3.440 1.00 0.79 O ATOM 393 CG2 THR A 29 4.919 11.290 -2.207 1.00 0.77 C ATOM 0 H THR A 29 1.095 10.668 -3.064 1.00 0.51 H new ATOM 0 HA THR A 29 3.522 9.862 -4.192 1.00 0.58 H new ATOM 0 HB THR A 29 2.873 11.367 -1.634 1.00 0.72 H new ATOM 0 HG1 THR A 29 2.161 12.466 -3.487 1.00 0.79 H new ATOM 0 HG21 THR A 29 5.166 12.246 -1.746 1.00 0.77 H new ATOM 0 HG22 THR A 29 5.142 10.483 -1.509 1.00 0.77 H new ATOM 0 HG23 THR A 29 5.511 11.160 -3.113 1.00 0.77 H new ATOM 401 N GLY A 30 2.730 8.383 -1.362 1.00 0.54 N ATOM 402 CA GLY A 30 3.098 7.290 -0.488 1.00 0.57 C ATOM 403 C GLY A 30 3.049 5.948 -1.181 1.00 0.47 C ATOM 404 O GLY A 30 3.915 5.100 -0.963 1.00 0.51 O ATOM 0 H GLY A 30 1.836 8.823 -1.144 1.00 0.54 H new ATOM 0 HA2 GLY A 30 4.104 7.460 -0.104 1.00 0.57 H new ATOM 0 HA3 GLY A 30 2.427 7.275 0.371 1.00 0.57 H new ATOM 408 N VAL A 31 2.038 5.742 -2.014 1.00 0.41 N ATOM 409 CA VAL A 31 1.962 4.521 -2.801 1.00 0.44 C ATOM 410 C VAL A 31 3.131 4.477 -3.770 1.00 0.39 C ATOM 411 O VAL A 31 3.718 3.422 -4.014 1.00 0.40 O ATOM 412 CB VAL A 31 0.644 4.401 -3.592 1.00 0.56 C ATOM 413 CG1 VAL A 31 0.487 2.992 -4.136 1.00 0.68 C ATOM 414 CG2 VAL A 31 -0.548 4.770 -2.728 1.00 0.65 C ATOM 0 H VAL A 31 1.269 6.396 -2.161 1.00 0.41 H new ATOM 0 HA VAL A 31 2.000 3.684 -2.104 1.00 0.44 H new ATOM 0 HB VAL A 31 0.683 5.101 -4.427 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -0.447 2.919 -4.693 1.00 0.68 H new ATOM 0 HG12 VAL A 31 1.322 2.762 -4.797 1.00 0.68 H new ATOM 0 HG13 VAL A 31 0.473 2.282 -3.309 1.00 0.68 H new ATOM 0 HG21 VAL A 31 -1.464 4.676 -3.312 1.00 0.65 H new ATOM 0 HG22 VAL A 31 -0.596 4.101 -1.869 1.00 0.65 H new ATOM 0 HG23 VAL A 31 -0.442 5.798 -2.382 1.00 0.65 H new ATOM 424 N LYS A 32 3.482 5.642 -4.305 1.00 0.40 N ATOM 425 CA LYS A 32 4.655 5.766 -5.155 1.00 0.46 C ATOM 426 C LYS A 32 5.922 5.457 -4.356 1.00 0.44 C ATOM 427 O LYS A 32 6.909 4.991 -4.915 1.00 0.49 O ATOM 428 CB LYS A 32 4.746 7.171 -5.760 1.00 0.58 C ATOM 429 CG LYS A 32 3.688 7.482 -6.814 1.00 1.05 C ATOM 430 CD LYS A 32 4.101 7.030 -8.211 1.00 1.14 C ATOM 431 CE LYS A 32 3.905 5.536 -8.435 1.00 1.31 C ATOM 432 NZ LYS A 32 4.331 5.124 -9.802 1.00 1.54 N ATOM 0 H LYS A 32 2.969 6.512 -4.163 1.00 0.40 H new ATOM 0 HA LYS A 32 4.562 5.047 -5.969 1.00 0.46 H new ATOM 0 HB2 LYS A 32 4.665 7.903 -4.957 1.00 0.58 H new ATOM 0 HB3 LYS A 32 5.732 7.296 -6.207 1.00 0.58 H new ATOM 0 HG2 LYS A 32 2.753 6.994 -6.540 1.00 1.05 H new ATOM 0 HG3 LYS A 32 3.496 8.555 -6.825 1.00 1.05 H new ATOM 0 HD2 LYS A 32 3.522 7.582 -8.951 1.00 1.14 H new ATOM 0 HD3 LYS A 32 5.149 7.282 -8.373 1.00 1.14 H new ATOM 0 HE2 LYS A 32 4.476 4.979 -7.692 1.00 1.31 H new ATOM 0 HE3 LYS A 32 2.856 5.280 -8.288 1.00 1.31 H new ATOM 0 HZ1 LYS A 32 3.491 4.951 -10.390 1.00 1.54 H new ATOM 0 HZ2 LYS A 32 4.904 5.880 -10.230 1.00 1.54 H new ATOM 0 HZ3 LYS A 32 4.896 4.253 -9.742 1.00 1.54 H new ATOM 446 N ASN A 33 5.892 5.708 -3.045 1.00 0.41 N ATOM 447 CA ASN A 33 7.029 5.379 -2.182 1.00 0.44 C ATOM 448 C ASN A 33 7.221 3.868 -2.110 1.00 0.39 C ATOM 449 O ASN A 33 8.308 3.356 -2.338 1.00 0.46 O ATOM 450 CB ASN A 33 6.843 5.928 -0.760 1.00 0.52 C ATOM 451 CG ASN A 33 7.006 7.432 -0.664 1.00 1.19 C ATOM 452 OD1 ASN A 33 7.765 8.042 -1.417 1.00 2.11 O ATOM 453 ND2 ASN A 33 6.302 8.041 0.277 1.00 1.58 N ATOM 0 H ASN A 33 5.101 6.134 -2.561 1.00 0.41 H new ATOM 0 HA ASN A 33 7.911 5.846 -2.621 1.00 0.44 H new ATOM 0 HB2 ASN A 33 5.851 5.655 -0.401 1.00 0.52 H new ATOM 0 HB3 ASN A 33 7.564 5.450 -0.098 1.00 0.52 H new ATOM 0 HD21 ASN A 33 6.378 9.051 0.398 1.00 1.58 H new ATOM 0 HD22 ASN A 33 5.684 7.500 0.882 1.00 1.58 H new ATOM 460 N ILE A 34 6.149 3.158 -1.803 1.00 0.36 N ATOM 461 CA ILE A 34 6.194 1.705 -1.657 1.00 0.40 C ATOM 462 C ILE A 34 6.367 1.010 -3.016 1.00 0.48 C ATOM 463 O ILE A 34 6.660 -0.181 -3.097 1.00 0.57 O ATOM 464 CB ILE A 34 4.932 1.232 -0.867 1.00 0.48 C ATOM 465 CG1 ILE A 34 5.220 1.255 0.636 1.00 0.61 C ATOM 466 CG2 ILE A 34 4.446 -0.154 -1.267 1.00 0.65 C ATOM 467 CD1 ILE A 34 6.256 2.278 1.052 1.00 0.58 C ATOM 0 H ILE A 34 5.227 3.565 -1.648 1.00 0.36 H new ATOM 0 HA ILE A 34 7.071 1.416 -1.078 1.00 0.40 H new ATOM 0 HB ILE A 34 4.134 1.931 -1.119 1.00 0.48 H new ATOM 0 HG12 ILE A 34 4.291 1.457 1.170 1.00 0.61 H new ATOM 0 HG13 ILE A 34 5.557 0.266 0.946 1.00 0.61 H new ATOM 0 HG21 ILE A 34 3.567 -0.416 -0.677 1.00 0.65 H new ATOM 0 HG22 ILE A 34 4.187 -0.157 -2.326 1.00 0.65 H new ATOM 0 HG23 ILE A 34 5.236 -0.883 -1.085 1.00 0.65 H new ATOM 0 HD11 ILE A 34 6.402 2.230 2.131 1.00 0.58 H new ATOM 0 HD12 ILE A 34 7.199 2.066 0.548 1.00 0.58 H new ATOM 0 HD13 ILE A 34 5.914 3.275 0.776 1.00 0.58 H new ATOM 479 N LEU A 35 6.239 1.786 -4.083 1.00 0.56 N ATOM 480 CA LEU A 35 6.522 1.297 -5.428 1.00 0.79 C ATOM 481 C LEU A 35 7.933 1.675 -5.873 1.00 0.93 C ATOM 482 O LEU A 35 8.807 0.821 -6.014 1.00 1.31 O ATOM 483 CB LEU A 35 5.518 1.866 -6.429 1.00 1.04 C ATOM 484 CG LEU A 35 4.502 0.869 -6.967 1.00 1.16 C ATOM 485 CD1 LEU A 35 3.523 0.452 -5.879 1.00 1.36 C ATOM 486 CD2 LEU A 35 3.777 1.458 -8.163 1.00 1.93 C ATOM 0 H LEU A 35 5.940 2.760 -4.044 1.00 0.56 H new ATOM 0 HA LEU A 35 6.439 0.211 -5.400 1.00 0.79 H new ATOM 0 HB2 LEU A 35 4.981 2.687 -5.954 1.00 1.04 H new ATOM 0 HB3 LEU A 35 6.068 2.289 -7.270 1.00 1.04 H new ATOM 0 HG LEU A 35 5.030 -0.027 -7.293 1.00 1.16 H new ATOM 0 HD11 LEU A 35 2.807 -0.261 -6.288 1.00 1.36 H new ATOM 0 HD12 LEU A 35 4.068 -0.012 -5.057 1.00 1.36 H new ATOM 0 HD13 LEU A 35 2.992 1.330 -5.512 1.00 1.36 H new ATOM 0 HD21 LEU A 35 3.052 0.737 -8.541 1.00 1.93 H new ATOM 0 HD22 LEU A 35 3.260 2.369 -7.862 1.00 1.93 H new ATOM 0 HD23 LEU A 35 4.498 1.692 -8.946 1.00 1.93 H new ATOM 498 N ASN A 36 8.138 2.966 -6.093 1.00 0.89 N ATOM 499 CA ASN A 36 9.392 3.483 -6.634 1.00 1.06 C ATOM 500 C ASN A 36 10.486 3.532 -5.576 1.00 1.01 C ATOM 501 O ASN A 36 11.625 3.144 -5.834 1.00 1.13 O ATOM 502 CB ASN A 36 9.175 4.885 -7.213 1.00 1.21 C ATOM 503 CG ASN A 36 8.268 4.884 -8.426 1.00 1.58 C ATOM 504 OD1 ASN A 36 7.043 4.926 -8.302 1.00 2.45 O ATOM 505 ND2 ASN A 36 8.861 4.864 -9.606 1.00 1.81 N ATOM 0 H ASN A 36 7.441 3.686 -5.902 1.00 0.89 H new ATOM 0 HA ASN A 36 9.715 2.803 -7.422 1.00 1.06 H new ATOM 0 HB2 ASN A 36 8.746 5.528 -6.445 1.00 1.21 H new ATOM 0 HB3 ASN A 36 10.139 5.314 -7.486 1.00 1.21 H new ATOM 0 HD21 ASN A 36 8.301 4.883 -10.458 1.00 1.81 H new ATOM 0 HD22 ASN A 36 9.879 4.829 -9.665 1.00 1.81 H new ATOM 512 N SER A 37 10.138 3.993 -4.382 1.00 0.90 N ATOM 513 CA SER A 37 11.115 4.166 -3.314 1.00 0.98 C ATOM 514 C SER A 37 11.393 2.849 -2.586 1.00 0.84 C ATOM 515 O SER A 37 12.179 2.810 -1.635 1.00 0.94 O ATOM 516 CB SER A 37 10.638 5.227 -2.325 1.00 1.05 C ATOM 517 OG SER A 37 10.346 6.440 -2.998 1.00 1.55 O ATOM 0 H SER A 37 9.185 4.254 -4.128 1.00 0.90 H new ATOM 0 HA SER A 37 12.048 4.497 -3.769 1.00 0.98 H new ATOM 0 HB2 SER A 37 9.750 4.872 -1.802 1.00 1.05 H new ATOM 0 HB3 SER A 37 11.405 5.399 -1.570 1.00 1.05 H new ATOM 0 HG SER A 37 10.040 7.108 -2.350 1.00 1.55 H new ATOM 523 N SER A 38 10.736 1.779 -3.017 1.00 0.67 N ATOM 524 CA SER A 38 11.086 0.445 -2.562 1.00 0.58 C ATOM 525 C SER A 38 12.514 0.159 -3.027 1.00 0.67 C ATOM 526 O SER A 38 12.768 0.003 -4.225 1.00 1.22 O ATOM 527 CB SER A 38 10.100 -0.585 -3.119 1.00 0.54 C ATOM 528 OG SER A 38 10.336 -1.870 -2.571 1.00 1.43 O ATOM 0 H SER A 38 9.961 1.812 -3.679 1.00 0.67 H new ATOM 0 HA SER A 38 11.032 0.380 -1.475 1.00 0.58 H new ATOM 0 HB2 SER A 38 9.080 -0.273 -2.895 1.00 0.54 H new ATOM 0 HB3 SER A 38 10.190 -0.628 -4.204 1.00 0.54 H new ATOM 0 HG SER A 38 10.511 -1.789 -1.610 1.00 1.43 H new ATOM 534 N ARG A 39 13.438 0.131 -2.073 1.00 0.87 N ATOM 535 CA ARG A 39 14.867 0.178 -2.371 1.00 1.08 C ATOM 536 C ARG A 39 15.336 -1.002 -3.218 1.00 0.84 C ATOM 537 O ARG A 39 16.090 -0.823 -4.173 1.00 1.22 O ATOM 538 CB ARG A 39 15.668 0.220 -1.070 1.00 1.40 C ATOM 539 CG ARG A 39 17.132 0.572 -1.275 1.00 1.90 C ATOM 540 CD ARG A 39 17.919 0.489 0.022 1.00 2.25 C ATOM 541 NE ARG A 39 19.265 1.037 -0.124 1.00 2.89 N ATOM 542 CZ ARG A 39 20.384 0.369 0.152 1.00 3.60 C ATOM 543 NH1 ARG A 39 20.332 -0.890 0.570 1.00 3.87 N ATOM 544 NH2 ARG A 39 21.562 0.963 0.012 1.00 4.47 N ATOM 0 H ARG A 39 13.221 0.075 -1.078 1.00 0.87 H new ATOM 0 HA ARG A 39 15.038 1.083 -2.953 1.00 1.08 H new ATOM 0 HB2 ARG A 39 15.217 0.950 -0.398 1.00 1.40 H new ATOM 0 HB3 ARG A 39 15.600 -0.751 -0.579 1.00 1.40 H new ATOM 0 HG2 ARG A 39 17.569 -0.105 -2.009 1.00 1.90 H new ATOM 0 HG3 ARG A 39 17.210 1.579 -1.684 1.00 1.90 H new ATOM 0 HD2 ARG A 39 17.389 1.032 0.804 1.00 2.25 H new ATOM 0 HD3 ARG A 39 17.983 -0.551 0.343 1.00 2.25 H new ATOM 0 HE ARG A 39 19.354 1.996 -0.460 1.00 2.89 H new ATOM 0 HH11 ARG A 39 19.430 -1.353 0.682 1.00 3.87 H new ATOM 0 HH12 ARG A 39 21.194 -1.394 0.779 1.00 3.87 H new ATOM 0 HH21 ARG A 39 21.611 1.931 -0.307 1.00 4.47 H new ATOM 0 HH22 ARG A 39 22.419 0.452 0.223 1.00 4.47 H new ATOM 558 N THR A 40 14.895 -2.198 -2.872 1.00 0.62 N ATOM 559 CA THR A 40 15.433 -3.400 -3.484 1.00 0.70 C ATOM 560 C THR A 40 14.522 -4.593 -3.199 1.00 0.75 C ATOM 561 O THR A 40 13.411 -4.425 -2.706 1.00 0.61 O ATOM 562 CB THR A 40 16.865 -3.664 -2.950 1.00 0.88 C ATOM 563 OG1 THR A 40 17.459 -4.800 -3.594 1.00 1.59 O ATOM 564 CG2 THR A 40 16.852 -3.882 -1.443 1.00 1.25 C ATOM 0 H THR A 40 14.170 -2.363 -2.174 1.00 0.62 H new ATOM 0 HA THR A 40 15.482 -3.260 -4.564 1.00 0.70 H new ATOM 0 HB THR A 40 17.463 -2.781 -3.177 1.00 0.88 H new ATOM 0 HG1 THR A 40 18.362 -4.942 -3.240 1.00 1.59 H new ATOM 0 HG21 THR A 40 17.868 -4.065 -1.093 1.00 1.25 H new ATOM 0 HG22 THR A 40 16.453 -2.995 -0.951 1.00 1.25 H new ATOM 0 HG23 THR A 40 16.226 -4.742 -1.205 1.00 1.25 H new ATOM 572 N THR A 41 14.994 -5.791 -3.496 1.00 1.03 N ATOM 573 CA THR A 41 14.217 -6.998 -3.278 1.00 1.16 C ATOM 574 C THR A 41 13.964 -7.211 -1.791 1.00 1.04 C ATOM 575 O THR A 41 12.882 -7.641 -1.386 1.00 0.97 O ATOM 576 CB THR A 41 14.952 -8.223 -3.833 1.00 1.58 C ATOM 577 OG1 THR A 41 15.571 -7.894 -5.085 1.00 1.79 O ATOM 578 CG2 THR A 41 14.003 -9.394 -4.027 1.00 1.73 C ATOM 0 H THR A 41 15.920 -5.954 -3.892 1.00 1.03 H new ATOM 0 HA THR A 41 13.266 -6.877 -3.798 1.00 1.16 H new ATOM 0 HB THR A 41 15.714 -8.515 -3.110 1.00 1.58 H new ATOM 0 HG1 THR A 41 16.041 -8.680 -5.434 1.00 1.79 H new ATOM 0 HG21 THR A 41 14.554 -10.248 -4.422 1.00 1.73 H new ATOM 0 HG22 THR A 41 13.556 -9.662 -3.070 1.00 1.73 H new ATOM 0 HG23 THR A 41 13.218 -9.113 -4.729 1.00 1.73 H new ATOM 586 N ALA A 42 14.969 -6.890 -0.983 1.00 1.12 N ATOM 587 CA ALA A 42 14.858 -6.974 0.466 1.00 1.18 C ATOM 588 C ALA A 42 13.804 -6.004 0.975 1.00 0.98 C ATOM 589 O ALA A 42 13.299 -6.143 2.085 1.00 1.13 O ATOM 590 CB ALA A 42 16.201 -6.686 1.115 1.00 1.41 C ATOM 0 H ALA A 42 15.878 -6.566 -1.313 1.00 1.12 H new ATOM 0 HA ALA A 42 14.553 -7.986 0.733 1.00 1.18 H new ATOM 0 HB1 ALA A 42 16.103 -6.752 2.199 1.00 1.41 H new ATOM 0 HB2 ALA A 42 16.935 -7.415 0.772 1.00 1.41 H new ATOM 0 HB3 ALA A 42 16.530 -5.684 0.841 1.00 1.41 H new ATOM 596 N ASP A 43 13.481 -5.026 0.143 1.00 0.74 N ATOM 597 CA ASP A 43 12.462 -4.045 0.464 1.00 0.67 C ATOM 598 C ASP A 43 11.110 -4.575 0.014 1.00 0.64 C ATOM 599 O ASP A 43 10.108 -4.439 0.705 1.00 0.93 O ATOM 600 CB ASP A 43 12.785 -2.736 -0.258 1.00 0.63 C ATOM 601 CG ASP A 43 12.089 -1.523 0.334 1.00 1.00 C ATOM 602 OD1 ASP A 43 10.908 -1.299 0.022 1.00 1.72 O ATOM 603 OD2 ASP A 43 12.744 -0.763 1.078 1.00 1.18 O ATOM 0 H ASP A 43 13.917 -4.892 -0.769 1.00 0.74 H new ATOM 0 HA ASP A 43 12.435 -3.861 1.538 1.00 0.67 H new ATOM 0 HB2 ASP A 43 13.863 -2.574 -0.232 1.00 0.63 H new ATOM 0 HB3 ASP A 43 12.502 -2.830 -1.306 1.00 0.63 H new ATOM 608 N ARG A 44 11.120 -5.226 -1.144 1.00 0.54 N ATOM 609 CA ARG A 44 9.906 -5.728 -1.777 1.00 0.61 C ATOM 610 C ARG A 44 9.206 -6.788 -0.930 1.00 0.67 C ATOM 611 O ARG A 44 8.042 -6.629 -0.571 1.00 0.93 O ATOM 612 CB ARG A 44 10.235 -6.285 -3.161 1.00 0.76 C ATOM 613 CG ARG A 44 9.023 -6.794 -3.921 1.00 1.39 C ATOM 614 CD ARG A 44 9.364 -7.093 -5.370 1.00 1.53 C ATOM 615 NE ARG A 44 9.801 -5.895 -6.079 1.00 1.70 N ATOM 616 CZ ARG A 44 10.351 -5.895 -7.291 1.00 2.01 C ATOM 617 NH1 ARG A 44 10.563 -7.036 -7.941 1.00 2.34 N ATOM 618 NH2 ARG A 44 10.680 -4.743 -7.853 1.00 2.70 N ATOM 0 H ARG A 44 11.971 -5.421 -1.671 1.00 0.54 H new ATOM 0 HA ARG A 44 9.215 -4.890 -1.874 1.00 0.61 H new ATOM 0 HB2 ARG A 44 10.721 -5.507 -3.750 1.00 0.76 H new ATOM 0 HB3 ARG A 44 10.953 -7.098 -3.054 1.00 0.76 H new ATOM 0 HG2 ARG A 44 8.643 -7.696 -3.441 1.00 1.39 H new ATOM 0 HG3 ARG A 44 8.227 -6.051 -3.879 1.00 1.39 H new ATOM 0 HD2 ARG A 44 10.150 -7.847 -5.411 1.00 1.53 H new ATOM 0 HD3 ARG A 44 8.492 -7.514 -5.870 1.00 1.53 H new ATOM 0 HE ARG A 44 9.676 -4.996 -5.614 1.00 1.70 H new ATOM 0 HH11 ARG A 44 10.303 -7.924 -7.511 1.00 2.34 H new ATOM 0 HH12 ARG A 44 10.985 -7.023 -8.869 1.00 2.34 H new ATOM 0 HH21 ARG A 44 10.511 -3.867 -7.358 1.00 2.70 H new ATOM 0 HH22 ARG A 44 11.102 -4.731 -8.781 1.00 2.70 H new ATOM 632 N ARG A 45 9.905 -7.861 -0.591 1.00 0.66 N ATOM 633 CA ARG A 45 9.281 -8.938 0.177 1.00 0.72 C ATOM 634 C ARG A 45 9.294 -8.628 1.671 1.00 0.76 C ATOM 635 O ARG A 45 9.072 -9.506 2.506 1.00 1.28 O ATOM 636 CB ARG A 45 9.936 -10.297 -0.103 1.00 0.88 C ATOM 637 CG ARG A 45 11.418 -10.364 0.216 1.00 1.16 C ATOM 638 CD ARG A 45 11.746 -11.585 1.061 1.00 1.34 C ATOM 639 NE ARG A 45 11.063 -11.558 2.356 1.00 1.99 N ATOM 640 CZ ARG A 45 11.614 -11.956 3.501 1.00 2.61 C ATOM 641 NH1 ARG A 45 12.885 -12.335 3.538 1.00 2.84 N ATOM 642 NH2 ARG A 45 10.891 -11.974 4.615 1.00 3.54 N ATOM 0 H ARG A 45 10.886 -8.012 -0.828 1.00 0.66 H new ATOM 0 HA ARG A 45 8.243 -9.003 -0.150 1.00 0.72 H new ATOM 0 HB2 ARG A 45 9.418 -11.061 0.477 1.00 0.88 H new ATOM 0 HB3 ARG A 45 9.793 -10.544 -1.155 1.00 0.88 H new ATOM 0 HG2 ARG A 45 11.991 -10.396 -0.711 1.00 1.16 H new ATOM 0 HG3 ARG A 45 11.719 -9.460 0.746 1.00 1.16 H new ATOM 0 HD2 ARG A 45 11.461 -12.487 0.520 1.00 1.34 H new ATOM 0 HD3 ARG A 45 12.823 -11.636 1.221 1.00 1.34 H new ATOM 0 HE ARG A 45 10.104 -11.212 2.383 1.00 1.99 H new ATOM 0 HH11 ARG A 45 13.446 -12.323 2.686 1.00 2.84 H new ATOM 0 HH12 ARG A 45 13.301 -12.639 4.418 1.00 2.84 H new ATOM 0 HH21 ARG A 45 9.914 -11.683 4.593 1.00 3.54 H new ATOM 0 HH22 ARG A 45 11.313 -12.279 5.492 1.00 3.54 H new ATOM 656 N ALA A 46 9.547 -7.371 1.999 1.00 0.51 N ATOM 657 CA ALA A 46 9.442 -6.902 3.369 1.00 0.53 C ATOM 658 C ALA A 46 8.292 -5.911 3.489 1.00 0.44 C ATOM 659 O ALA A 46 7.539 -5.929 4.467 1.00 0.53 O ATOM 660 CB ALA A 46 10.745 -6.267 3.821 1.00 0.64 C ATOM 0 H ALA A 46 9.828 -6.654 1.330 1.00 0.51 H new ATOM 0 HA ALA A 46 9.242 -7.755 4.017 1.00 0.53 H new ATOM 0 HB1 ALA A 46 10.644 -5.923 4.850 1.00 0.64 H new ATOM 0 HB2 ALA A 46 11.548 -7.002 3.761 1.00 0.64 H new ATOM 0 HB3 ALA A 46 10.980 -5.420 3.176 1.00 0.64 H new ATOM 666 N VAL A 47 8.147 -5.064 2.472 1.00 0.35 N ATOM 667 CA VAL A 47 7.086 -4.067 2.440 1.00 0.38 C ATOM 668 C VAL A 47 5.717 -4.733 2.432 1.00 0.42 C ATOM 669 O VAL A 47 4.765 -4.191 2.968 1.00 0.50 O ATOM 670 CB VAL A 47 7.226 -3.113 1.222 1.00 0.45 C ATOM 671 CG1 VAL A 47 7.048 -3.848 -0.095 1.00 0.50 C ATOM 672 CG2 VAL A 47 6.240 -1.966 1.311 1.00 0.70 C ATOM 0 H VAL A 47 8.757 -5.051 1.655 1.00 0.35 H new ATOM 0 HA VAL A 47 7.181 -3.468 3.345 1.00 0.38 H new ATOM 0 HB VAL A 47 8.239 -2.711 1.251 1.00 0.45 H new ATOM 0 HG11 VAL A 47 7.153 -3.145 -0.921 1.00 0.50 H new ATOM 0 HG12 VAL A 47 7.806 -4.627 -0.182 1.00 0.50 H new ATOM 0 HG13 VAL A 47 6.057 -4.301 -0.128 1.00 0.50 H new ATOM 0 HG21 VAL A 47 6.361 -1.314 0.446 1.00 0.70 H new ATOM 0 HG22 VAL A 47 5.224 -2.360 1.330 1.00 0.70 H new ATOM 0 HG23 VAL A 47 6.425 -1.397 2.222 1.00 0.70 H new ATOM 682 N CYS A 48 5.631 -5.924 1.853 1.00 0.44 N ATOM 683 CA CYS A 48 4.377 -6.676 1.833 1.00 0.56 C ATOM 684 C CYS A 48 4.047 -7.233 3.216 1.00 0.59 C ATOM 685 O CYS A 48 2.889 -7.256 3.630 1.00 0.68 O ATOM 686 CB CYS A 48 4.462 -7.805 0.814 1.00 0.68 C ATOM 687 SG CYS A 48 6.055 -8.691 0.828 1.00 1.78 S ATOM 0 H CYS A 48 6.411 -6.391 1.391 1.00 0.44 H new ATOM 0 HA CYS A 48 3.575 -5.996 1.545 1.00 0.56 H new ATOM 0 HB2 CYS A 48 3.659 -8.517 1.007 1.00 0.68 H new ATOM 0 HB3 CYS A 48 4.293 -7.396 -0.182 1.00 0.68 H new ATOM 692 N SER A 49 5.072 -7.677 3.925 1.00 0.59 N ATOM 693 CA SER A 49 4.903 -8.189 5.278 1.00 0.73 C ATOM 694 C SER A 49 4.404 -7.080 6.204 1.00 0.73 C ATOM 695 O SER A 49 3.560 -7.309 7.074 1.00 0.96 O ATOM 696 CB SER A 49 6.227 -8.768 5.788 1.00 0.84 C ATOM 697 OG SER A 49 6.046 -9.505 6.986 1.00 1.41 O ATOM 0 H SER A 49 6.034 -7.694 3.586 1.00 0.59 H new ATOM 0 HA SER A 49 4.159 -8.985 5.267 1.00 0.73 H new ATOM 0 HB2 SER A 49 6.661 -9.414 5.025 1.00 0.84 H new ATOM 0 HB3 SER A 49 6.936 -7.959 5.961 1.00 0.84 H new ATOM 0 HG SER A 49 6.909 -9.862 7.284 1.00 1.41 H new ATOM 703 N CYS A 50 4.913 -5.869 6.002 1.00 0.57 N ATOM 704 CA CYS A 50 4.463 -4.722 6.776 1.00 0.60 C ATOM 705 C CYS A 50 3.167 -4.160 6.197 1.00 0.55 C ATOM 706 O CYS A 50 2.327 -3.644 6.933 1.00 0.59 O ATOM 707 CB CYS A 50 5.541 -3.642 6.822 1.00 0.63 C ATOM 708 SG CYS A 50 5.057 -2.144 7.742 1.00 1.11 S ATOM 0 H CYS A 50 5.634 -5.659 5.312 1.00 0.57 H new ATOM 0 HA CYS A 50 4.270 -5.055 7.796 1.00 0.60 H new ATOM 0 HB2 CYS A 50 6.439 -4.060 7.276 1.00 0.63 H new ATOM 0 HB3 CYS A 50 5.801 -3.360 5.802 1.00 0.63 H new ATOM 713 N LEU A 51 3.012 -4.262 4.873 1.00 0.51 N ATOM 714 CA LEU A 51 1.753 -3.941 4.209 1.00 0.55 C ATOM 715 C LEU A 51 0.602 -4.629 4.951 1.00 0.63 C ATOM 716 O LEU A 51 -0.471 -4.065 5.130 1.00 0.63 O ATOM 717 CB LEU A 51 1.792 -4.447 2.756 1.00 0.66 C ATOM 718 CG LEU A 51 1.068 -3.606 1.691 1.00 0.77 C ATOM 719 CD1 LEU A 51 -0.314 -3.171 2.155 1.00 1.33 C ATOM 720 CD2 LEU A 51 1.908 -2.406 1.282 1.00 1.33 C ATOM 0 H LEU A 51 3.751 -4.567 4.240 1.00 0.51 H new ATOM 0 HA LEU A 51 1.605 -2.861 4.214 1.00 0.55 H new ATOM 0 HB2 LEU A 51 2.837 -4.538 2.460 1.00 0.66 H new ATOM 0 HB3 LEU A 51 1.367 -5.451 2.738 1.00 0.66 H new ATOM 0 HG LEU A 51 0.930 -4.241 0.816 1.00 0.77 H new ATOM 0 HD11 LEU A 51 -0.791 -2.580 1.373 1.00 1.33 H new ATOM 0 HD12 LEU A 51 -0.921 -4.052 2.365 1.00 1.33 H new ATOM 0 HD13 LEU A 51 -0.222 -2.570 3.060 1.00 1.33 H new ATOM 0 HD21 LEU A 51 1.374 -1.828 0.528 1.00 1.33 H new ATOM 0 HD22 LEU A 51 2.096 -1.779 2.154 1.00 1.33 H new ATOM 0 HD23 LEU A 51 2.857 -2.750 0.870 1.00 1.33 H new ATOM 732 N LYS A 52 0.866 -5.856 5.402 1.00 0.80 N ATOM 733 CA LYS A 52 -0.115 -6.660 6.122 1.00 0.99 C ATOM 734 C LYS A 52 -0.570 -5.990 7.423 1.00 0.92 C ATOM 735 O LYS A 52 -1.684 -6.219 7.886 1.00 1.02 O ATOM 736 CB LYS A 52 0.461 -8.052 6.412 1.00 1.32 C ATOM 737 CG LYS A 52 -0.436 -8.914 7.285 1.00 1.40 C ATOM 738 CD LYS A 52 0.052 -10.351 7.369 1.00 1.78 C ATOM 739 CE LYS A 52 -0.104 -11.092 6.048 1.00 1.79 C ATOM 740 NZ LYS A 52 -1.525 -11.171 5.611 1.00 2.30 N ATOM 0 H LYS A 52 1.767 -6.318 5.277 1.00 0.80 H new ATOM 0 HA LYS A 52 -0.994 -6.755 5.485 1.00 0.99 H new ATOM 0 HB2 LYS A 52 0.637 -8.567 5.467 1.00 1.32 H new ATOM 0 HB3 LYS A 52 1.429 -7.941 6.900 1.00 1.32 H new ATOM 0 HG2 LYS A 52 -0.481 -8.489 8.288 1.00 1.40 H new ATOM 0 HG3 LYS A 52 -1.450 -8.899 6.886 1.00 1.40 H new ATOM 0 HD2 LYS A 52 1.101 -10.360 7.666 1.00 1.78 H new ATOM 0 HD3 LYS A 52 -0.504 -10.876 8.146 1.00 1.78 H new ATOM 0 HE2 LYS A 52 0.483 -10.589 5.280 1.00 1.79 H new ATOM 0 HE3 LYS A 52 0.300 -12.099 6.149 1.00 1.79 H new ATOM 0 HZ1 LYS A 52 -1.644 -11.975 4.962 1.00 2.30 H new ATOM 0 HZ2 LYS A 52 -2.137 -11.303 6.442 1.00 2.30 H new ATOM 0 HZ3 LYS A 52 -1.788 -10.290 5.124 1.00 2.30 H new ATOM 754 N ALA A 53 0.282 -5.162 8.017 1.00 0.88 N ATOM 755 CA ALA A 53 -0.095 -4.455 9.236 1.00 0.95 C ATOM 756 C ALA A 53 -0.731 -3.119 8.904 1.00 0.91 C ATOM 757 O ALA A 53 -1.499 -2.582 9.693 1.00 1.10 O ATOM 758 CB ALA A 53 1.092 -4.243 10.154 1.00 1.06 C ATOM 0 H ALA A 53 1.225 -4.965 7.681 1.00 0.88 H new ATOM 0 HA ALA A 53 -0.820 -5.079 9.759 1.00 0.95 H new ATOM 0 HB1 ALA A 53 0.769 -3.713 11.050 1.00 1.06 H new ATOM 0 HB2 ALA A 53 1.512 -5.209 10.435 1.00 1.06 H new ATOM 0 HB3 ALA A 53 1.850 -3.654 9.638 1.00 1.06 H new ATOM 764 N ALA A 54 -0.402 -2.584 7.741 1.00 0.79 N ATOM 765 CA ALA A 54 -1.010 -1.350 7.272 1.00 0.87 C ATOM 766 C ALA A 54 -2.429 -1.627 6.786 1.00 0.94 C ATOM 767 O ALA A 54 -3.386 -0.985 7.216 1.00 1.16 O ATOM 768 CB ALA A 54 -0.166 -0.734 6.169 1.00 0.89 C ATOM 0 H ALA A 54 0.284 -2.986 7.102 1.00 0.79 H new ATOM 0 HA ALA A 54 -1.060 -0.637 8.095 1.00 0.87 H new ATOM 0 HB1 ALA A 54 -0.633 0.190 5.827 1.00 0.89 H new ATOM 0 HB2 ALA A 54 0.831 -0.517 6.552 1.00 0.89 H new ATOM 0 HB3 ALA A 54 -0.090 -1.433 5.336 1.00 0.89 H new ATOM 774 N ALA A 55 -2.556 -2.625 5.918 1.00 0.88 N ATOM 775 CA ALA A 55 -3.857 -3.077 5.442 1.00 0.97 C ATOM 776 C ALA A 55 -4.529 -3.941 6.499 1.00 0.96 C ATOM 777 O ALA A 55 -5.654 -4.406 6.323 1.00 1.07 O ATOM 778 CB ALA A 55 -3.710 -3.851 4.144 1.00 1.11 C ATOM 0 H ALA A 55 -1.766 -3.139 5.528 1.00 0.88 H new ATOM 0 HA ALA A 55 -4.481 -2.203 5.253 1.00 0.97 H new ATOM 0 HB1 ALA A 55 -4.692 -4.181 3.804 1.00 1.11 H new ATOM 0 HB2 ALA A 55 -3.260 -3.209 3.387 1.00 1.11 H new ATOM 0 HB3 ALA A 55 -3.073 -4.720 4.309 1.00 1.11 H new ATOM 784 N GLY A 56 -3.813 -4.165 7.589 1.00 0.96 N ATOM 785 CA GLY A 56 -4.361 -4.888 8.711 1.00 1.05 C ATOM 786 C GLY A 56 -4.649 -3.967 9.875 1.00 0.99 C ATOM 787 O GLY A 56 -5.118 -4.407 10.925 1.00 1.08 O ATOM 0 H GLY A 56 -2.850 -3.853 7.715 1.00 0.96 H new ATOM 0 HA2 GLY A 56 -5.279 -5.391 8.408 1.00 1.05 H new ATOM 0 HA3 GLY A 56 -3.661 -5.663 9.023 1.00 1.05 H new ATOM 791 N ALA A 57 -4.353 -2.682 9.690 1.00 0.98 N ATOM 792 CA ALA A 57 -4.650 -1.672 10.696 1.00 1.11 C ATOM 793 C ALA A 57 -6.029 -1.078 10.431 1.00 1.10 C ATOM 794 O ALA A 57 -6.568 -0.319 11.236 1.00 1.53 O ATOM 795 CB ALA A 57 -3.601 -0.570 10.679 1.00 1.34 C ATOM 0 H ALA A 57 -3.906 -2.318 8.849 1.00 0.98 H new ATOM 0 HA ALA A 57 -4.638 -2.143 11.679 1.00 1.11 H new ATOM 0 HB1 ALA A 57 -3.842 0.174 11.438 1.00 1.34 H new ATOM 0 HB2 ALA A 57 -2.621 -0.998 10.889 1.00 1.34 H new ATOM 0 HB3 ALA A 57 -3.587 -0.096 9.698 1.00 1.34 H new ATOM 801 N VAL A 58 -6.568 -1.439 9.271 1.00 0.89 N ATOM 802 CA VAL A 58 -7.859 -0.960 8.786 1.00 1.10 C ATOM 803 C VAL A 58 -8.971 -1.098 9.829 1.00 1.08 C ATOM 804 O VAL A 58 -9.369 -2.201 10.209 1.00 1.78 O ATOM 805 CB VAL A 58 -8.243 -1.712 7.499 1.00 1.50 C ATOM 806 CG1 VAL A 58 -7.284 -1.335 6.381 1.00 1.74 C ATOM 807 CG2 VAL A 58 -8.237 -3.222 7.708 1.00 2.36 C ATOM 0 H VAL A 58 -6.111 -2.086 8.628 1.00 0.89 H new ATOM 0 HA VAL A 58 -7.751 0.105 8.578 1.00 1.10 H new ATOM 0 HB VAL A 58 -9.257 -1.421 7.226 1.00 1.50 H new ATOM 0 HG11 VAL A 58 -7.558 -1.869 5.471 1.00 1.74 H new ATOM 0 HG12 VAL A 58 -7.338 -0.261 6.202 1.00 1.74 H new ATOM 0 HG13 VAL A 58 -6.267 -1.604 6.667 1.00 1.74 H new ATOM 0 HG21 VAL A 58 -8.513 -3.719 6.778 1.00 2.36 H new ATOM 0 HG22 VAL A 58 -7.240 -3.544 8.010 1.00 2.36 H new ATOM 0 HG23 VAL A 58 -8.954 -3.484 8.486 1.00 2.36 H new ATOM 817 N ARG A 59 -9.443 0.035 10.314 1.00 0.92 N ATOM 818 CA ARG A 59 -10.567 0.075 11.219 1.00 1.16 C ATOM 819 C ARG A 59 -11.659 0.953 10.624 1.00 1.18 C ATOM 820 O ARG A 59 -11.548 2.178 10.615 1.00 1.83 O ATOM 821 CB ARG A 59 -10.103 0.612 12.563 1.00 1.63 C ATOM 822 CG ARG A 59 -11.208 0.830 13.569 1.00 2.16 C ATOM 823 CD ARG A 59 -10.615 1.231 14.896 1.00 2.64 C ATOM 824 NE ARG A 59 -9.867 0.127 15.499 1.00 3.01 N ATOM 825 CZ ARG A 59 -8.712 0.266 16.145 1.00 3.85 C ATOM 826 NH1 ARG A 59 -8.172 1.468 16.301 1.00 4.30 N ATOM 827 NH2 ARG A 59 -8.094 -0.806 16.625 1.00 4.65 N ATOM 0 H ARG A 59 -9.055 0.951 10.089 1.00 0.92 H new ATOM 0 HA ARG A 59 -10.973 -0.926 11.367 1.00 1.16 H new ATOM 0 HB2 ARG A 59 -9.377 -0.082 12.986 1.00 1.63 H new ATOM 0 HB3 ARG A 59 -9.584 1.557 12.402 1.00 1.63 H new ATOM 0 HG2 ARG A 59 -11.888 1.605 13.215 1.00 2.16 H new ATOM 0 HG3 ARG A 59 -11.795 -0.082 13.682 1.00 2.16 H new ATOM 0 HD2 ARG A 59 -9.955 2.088 14.758 1.00 2.64 H new ATOM 0 HD3 ARG A 59 -11.410 1.546 15.572 1.00 2.64 H new ATOM 0 HE ARG A 59 -10.257 -0.812 15.419 1.00 3.01 H new ATOM 0 HH11 ARG A 59 -8.642 2.291 15.925 1.00 4.30 H new ATOM 0 HH12 ARG A 59 -7.286 1.569 16.797 1.00 4.30 H new ATOM 0 HH21 ARG A 59 -8.505 -1.731 16.498 1.00 4.65 H new ATOM 0 HH22 ARG A 59 -7.208 -0.705 17.121 1.00 4.65 H new ATOM 841 N GLY A 60 -12.694 0.315 10.100 1.00 1.26 N ATOM 842 CA GLY A 60 -13.725 1.042 9.393 1.00 1.50 C ATOM 843 C GLY A 60 -13.286 1.366 7.986 1.00 1.68 C ATOM 844 O GLY A 60 -13.703 2.366 7.405 1.00 2.01 O ATOM 0 H GLY A 60 -12.838 -0.693 10.152 1.00 1.26 H new ATOM 0 HA2 GLY A 60 -14.640 0.450 9.366 1.00 1.50 H new ATOM 0 HA3 GLY A 60 -13.958 1.963 9.927 1.00 1.50 H new ATOM 848 N ILE A 61 -12.436 0.510 7.439 1.00 1.67 N ATOM 849 CA ILE A 61 -11.839 0.760 6.143 1.00 1.93 C ATOM 850 C ILE A 61 -12.816 0.468 5.011 1.00 1.67 C ATOM 851 O ILE A 61 -13.862 -0.156 5.212 1.00 2.21 O ATOM 852 CB ILE A 61 -10.563 -0.085 5.950 1.00 2.53 C ATOM 853 CG1 ILE A 61 -9.560 0.674 5.083 1.00 3.45 C ATOM 854 CG2 ILE A 61 -10.884 -1.448 5.334 1.00 2.78 C ATOM 855 CD1 ILE A 61 -8.978 1.891 5.772 1.00 3.54 C ATOM 0 H ILE A 61 -12.146 -0.365 7.876 1.00 1.67 H new ATOM 0 HA ILE A 61 -11.577 1.818 6.112 1.00 1.93 H new ATOM 0 HB ILE A 61 -10.122 -0.263 6.931 1.00 2.53 H new ATOM 0 HG12 ILE A 61 -8.750 0.001 4.802 1.00 3.45 H new ATOM 0 HG13 ILE A 61 -10.050 0.986 4.160 1.00 3.45 H new ATOM 0 HG21 ILE A 61 -9.963 -2.018 5.212 1.00 2.78 H new ATOM 0 HG22 ILE A 61 -11.563 -1.993 5.990 1.00 2.78 H new ATOM 0 HG23 ILE A 61 -11.355 -1.306 4.361 1.00 2.78 H new ATOM 0 HD11 ILE A 61 -8.273 2.385 5.103 1.00 3.54 H new ATOM 0 HD12 ILE A 61 -9.781 2.582 6.029 1.00 3.54 H new ATOM 0 HD13 ILE A 61 -8.461 1.582 6.680 1.00 3.54 H new ATOM 867 N ASN A 62 -12.454 0.922 3.824 1.00 1.52 N ATOM 868 CA ASN A 62 -13.241 0.668 2.620 1.00 1.54 C ATOM 869 C ASN A 62 -12.451 -0.195 1.640 1.00 1.47 C ATOM 870 O ASN A 62 -11.436 0.237 1.096 1.00 1.53 O ATOM 871 CB ASN A 62 -13.671 1.973 1.935 1.00 1.94 C ATOM 872 CG ASN A 62 -14.955 2.551 2.508 1.00 2.79 C ATOM 873 OD1 ASN A 62 -15.743 3.165 1.790 1.00 3.22 O ATOM 874 ND2 ASN A 62 -15.179 2.362 3.798 1.00 3.41 N ATOM 0 H ASN A 62 -11.612 1.475 3.663 1.00 1.52 H new ATOM 0 HA ASN A 62 -14.142 0.136 2.926 1.00 1.54 H new ATOM 0 HB2 ASN A 62 -12.873 2.708 2.034 1.00 1.94 H new ATOM 0 HB3 ASN A 62 -13.806 1.790 0.869 1.00 1.94 H new ATOM 0 HD21 ASN A 62 -16.028 2.730 4.228 1.00 3.41 H new ATOM 0 HD22 ASN A 62 -14.503 1.848 4.363 1.00 3.41 H new ATOM 881 N PRO A 63 -12.912 -1.433 1.414 1.00 1.67 N ATOM 882 CA PRO A 63 -12.230 -2.397 0.543 1.00 1.87 C ATOM 883 C PRO A 63 -12.109 -1.917 -0.903 1.00 1.64 C ATOM 884 O PRO A 63 -11.075 -2.110 -1.540 1.00 1.59 O ATOM 885 CB PRO A 63 -13.109 -3.649 0.600 1.00 2.43 C ATOM 886 CG PRO A 63 -14.005 -3.469 1.777 1.00 2.38 C ATOM 887 CD PRO A 63 -14.137 -1.992 2.007 1.00 2.01 C ATOM 0 HA PRO A 63 -11.206 -2.560 0.879 1.00 1.87 H new ATOM 0 HB2 PRO A 63 -13.687 -3.762 -0.317 1.00 2.43 H new ATOM 0 HB3 PRO A 63 -12.501 -4.548 0.706 1.00 2.43 H new ATOM 0 HG2 PRO A 63 -14.980 -3.919 1.591 1.00 2.38 H new ATOM 0 HG3 PRO A 63 -13.589 -3.961 2.657 1.00 2.38 H new ATOM 0 HD2 PRO A 63 -15.031 -1.591 1.530 1.00 2.01 H new ATOM 0 HD3 PRO A 63 -14.210 -1.758 3.069 1.00 2.01 H new ATOM 895 N ASN A 64 -13.162 -1.298 -1.423 1.00 1.59 N ATOM 896 CA ASN A 64 -13.154 -0.843 -2.815 1.00 1.51 C ATOM 897 C ASN A 64 -12.145 0.291 -3.008 1.00 1.16 C ATOM 898 O ASN A 64 -11.548 0.433 -4.076 1.00 1.11 O ATOM 899 CB ASN A 64 -14.555 -0.406 -3.276 1.00 1.72 C ATOM 900 CG ASN A 64 -14.881 1.044 -2.972 1.00 2.37 C ATOM 901 OD1 ASN A 64 -14.631 1.928 -3.793 1.00 3.10 O ATOM 902 ND2 ASN A 64 -15.451 1.303 -1.804 1.00 2.83 N ATOM 0 H ASN A 64 -14.023 -1.100 -0.913 1.00 1.59 H new ATOM 0 HA ASN A 64 -12.851 -1.687 -3.435 1.00 1.51 H new ATOM 0 HB2 ASN A 64 -14.640 -0.569 -4.350 1.00 1.72 H new ATOM 0 HB3 ASN A 64 -15.299 -1.043 -2.797 1.00 1.72 H new ATOM 0 HD21 ASN A 64 -15.699 2.262 -1.559 1.00 2.83 H new ATOM 0 HD22 ASN A 64 -15.642 0.544 -1.150 1.00 2.83 H new ATOM 909 N ASN A 65 -11.952 1.084 -1.959 1.00 0.99 N ATOM 910 CA ASN A 65 -10.982 2.178 -1.975 1.00 0.74 C ATOM 911 C ASN A 65 -9.559 1.637 -1.903 1.00 0.69 C ATOM 912 O ASN A 65 -8.606 2.327 -2.261 1.00 0.60 O ATOM 913 CB ASN A 65 -11.243 3.151 -0.817 1.00 0.74 C ATOM 914 CG ASN A 65 -12.538 3.930 -0.982 1.00 0.95 C ATOM 915 OD1 ASN A 65 -13.463 3.485 -1.652 1.00 1.34 O ATOM 916 ND2 ASN A 65 -12.626 5.084 -0.349 1.00 1.13 N ATOM 0 H ASN A 65 -12.459 0.989 -1.079 1.00 0.99 H new ATOM 0 HA ASN A 65 -11.098 2.720 -2.914 1.00 0.74 H new ATOM 0 HB2 ASN A 65 -11.276 2.594 0.119 1.00 0.74 H new ATOM 0 HB3 ASN A 65 -10.411 3.851 -0.742 1.00 0.74 H new ATOM 0 HD21 ASN A 65 -13.483 5.634 -0.409 1.00 1.13 H new ATOM 0 HD22 ASN A 65 -11.837 5.426 0.200 1.00 1.13 H new ATOM 923 N ALA A 66 -9.420 0.394 -1.465 1.00 0.93 N ATOM 924 CA ALA A 66 -8.111 -0.233 -1.361 1.00 1.07 C ATOM 925 C ALA A 66 -7.493 -0.429 -2.740 1.00 1.02 C ATOM 926 O ALA A 66 -6.359 -0.026 -2.982 1.00 1.05 O ATOM 927 CB ALA A 66 -8.205 -1.558 -0.621 1.00 1.43 C ATOM 0 H ALA A 66 -10.197 -0.200 -1.176 1.00 0.93 H new ATOM 0 HA ALA A 66 -7.462 0.431 -0.790 1.00 1.07 H new ATOM 0 HB1 ALA A 66 -7.215 -2.009 -0.555 1.00 1.43 H new ATOM 0 HB2 ALA A 66 -8.594 -1.387 0.383 1.00 1.43 H new ATOM 0 HB3 ALA A 66 -8.874 -2.229 -1.160 1.00 1.43 H new ATOM 933 N GLU A 67 -8.249 -1.022 -3.655 1.00 1.07 N ATOM 934 CA GLU A 67 -7.746 -1.279 -5.000 1.00 1.12 C ATOM 935 C GLU A 67 -7.883 -0.041 -5.870 1.00 0.94 C ATOM 936 O GLU A 67 -7.562 -0.063 -7.058 1.00 1.00 O ATOM 937 CB GLU A 67 -8.488 -2.441 -5.647 1.00 1.50 C ATOM 938 CG GLU A 67 -8.519 -3.679 -4.783 1.00 1.80 C ATOM 939 CD GLU A 67 -8.791 -4.940 -5.580 1.00 2.05 C ATOM 940 OE1 GLU A 67 -8.810 -4.871 -6.830 1.00 2.41 O ATOM 941 OE2 GLU A 67 -8.962 -6.011 -4.967 1.00 2.41 O ATOM 0 H GLU A 67 -9.207 -1.333 -3.493 1.00 1.07 H new ATOM 0 HA GLU A 67 -6.691 -1.540 -4.914 1.00 1.12 H new ATOM 0 HB2 GLU A 67 -9.510 -2.134 -5.868 1.00 1.50 H new ATOM 0 HB3 GLU A 67 -8.015 -2.681 -6.599 1.00 1.50 H new ATOM 0 HG2 GLU A 67 -7.565 -3.780 -4.265 1.00 1.80 H new ATOM 0 HG3 GLU A 67 -9.287 -3.564 -4.018 1.00 1.80 H new ATOM 948 N ALA A 68 -8.344 1.035 -5.267 1.00 0.86 N ATOM 949 CA ALA A 68 -8.565 2.273 -5.984 1.00 0.92 C ATOM 950 C ALA A 68 -7.294 3.118 -6.031 1.00 0.89 C ATOM 951 O ALA A 68 -6.993 3.747 -7.049 1.00 1.14 O ATOM 952 CB ALA A 68 -9.706 3.030 -5.334 1.00 1.00 C ATOM 0 H ALA A 68 -8.574 1.076 -4.274 1.00 0.86 H new ATOM 0 HA ALA A 68 -8.833 2.045 -7.016 1.00 0.92 H new ATOM 0 HB1 ALA A 68 -9.876 3.963 -5.871 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -10.611 2.423 -5.366 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -9.453 3.249 -4.297 1.00 1.00 H new ATOM 958 N LEU A 69 -6.533 3.104 -4.941 1.00 0.79 N ATOM 959 CA LEU A 69 -5.296 3.880 -4.861 1.00 1.01 C ATOM 960 C LEU A 69 -4.226 3.414 -5.874 1.00 1.08 C ATOM 961 O LEU A 69 -3.563 4.261 -6.477 1.00 1.37 O ATOM 962 CB LEU A 69 -4.750 3.921 -3.417 1.00 1.16 C ATOM 963 CG LEU A 69 -4.550 2.576 -2.708 1.00 1.47 C ATOM 964 CD1 LEU A 69 -3.100 2.124 -2.801 1.00 2.29 C ATOM 965 CD2 LEU A 69 -4.986 2.673 -1.254 1.00 1.96 C ATOM 0 H LEU A 69 -6.749 2.566 -4.102 1.00 0.79 H new ATOM 0 HA LEU A 69 -5.550 4.901 -5.146 1.00 1.01 H new ATOM 0 HB2 LEU A 69 -3.792 4.441 -3.432 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -5.430 4.523 -2.815 1.00 1.16 H new ATOM 0 HG LEU A 69 -5.170 1.832 -3.208 1.00 1.47 H new ATOM 0 HD11 LEU A 69 -2.984 1.168 -2.291 1.00 2.29 H new ATOM 0 HD12 LEU A 69 -2.820 2.013 -3.849 1.00 2.29 H new ATOM 0 HD13 LEU A 69 -2.456 2.867 -2.330 1.00 2.29 H new ATOM 0 HD21 LEU A 69 -4.838 1.710 -0.765 1.00 1.96 H new ATOM 0 HD22 LEU A 69 -4.393 3.433 -0.746 1.00 1.96 H new ATOM 0 HD23 LEU A 69 -6.041 2.945 -1.208 1.00 1.96 H new ATOM 977 N PRO A 70 -4.040 2.090 -6.127 1.00 0.88 N ATOM 978 CA PRO A 70 -3.066 1.632 -7.128 1.00 0.91 C ATOM 979 C PRO A 70 -3.495 1.980 -8.553 1.00 1.02 C ATOM 980 O PRO A 70 -2.741 1.787 -9.509 1.00 1.20 O ATOM 981 CB PRO A 70 -3.019 0.115 -6.933 1.00 0.77 C ATOM 982 CG PRO A 70 -4.326 -0.231 -6.317 1.00 0.78 C ATOM 983 CD PRO A 70 -4.713 0.950 -5.473 1.00 0.78 C ATOM 0 HA PRO A 70 -2.096 2.112 -6.996 1.00 0.91 H new ATOM 0 HB2 PRO A 70 -2.881 -0.401 -7.883 1.00 0.77 H new ATOM 0 HB3 PRO A 70 -2.189 -0.175 -6.289 1.00 0.77 H new ATOM 0 HG2 PRO A 70 -5.078 -0.427 -7.082 1.00 0.78 H new ATOM 0 HG3 PRO A 70 -4.245 -1.133 -5.711 1.00 0.78 H new ATOM 0 HD2 PRO A 70 -5.794 1.086 -5.447 1.00 0.78 H new ATOM 0 HD3 PRO A 70 -4.382 0.829 -4.441 1.00 0.78 H new ATOM 991 N GLY A 71 -4.709 2.490 -8.687 1.00 1.06 N ATOM 992 CA GLY A 71 -5.188 2.925 -9.978 1.00 1.36 C ATOM 993 C GLY A 71 -5.035 4.420 -10.157 1.00 1.09 C ATOM 994 O GLY A 71 -4.357 4.878 -11.079 1.00 1.18 O ATOM 0 H GLY A 71 -5.372 2.610 -7.921 1.00 1.06 H new ATOM 0 HA2 GLY A 71 -4.639 2.406 -10.764 1.00 1.36 H new ATOM 0 HA3 GLY A 71 -6.237 2.651 -10.088 1.00 1.36 H new ATOM 998 N LYS A 72 -5.648 5.176 -9.255 1.00 0.90 N ATOM 999 CA LYS A 72 -5.623 6.632 -9.313 1.00 0.78 C ATOM 1000 C LYS A 72 -4.202 7.184 -9.315 1.00 0.73 C ATOM 1001 O LYS A 72 -3.908 8.156 -10.011 1.00 0.99 O ATOM 1002 CB LYS A 72 -6.378 7.224 -8.122 1.00 0.76 C ATOM 1003 CG LYS A 72 -7.813 6.750 -8.000 1.00 1.18 C ATOM 1004 CD LYS A 72 -8.611 7.074 -9.248 1.00 1.40 C ATOM 1005 CE LYS A 72 -8.568 8.560 -9.585 1.00 2.07 C ATOM 1006 NZ LYS A 72 -8.970 9.416 -8.436 1.00 2.61 N ATOM 0 H LYS A 72 -6.174 4.800 -8.466 1.00 0.90 H new ATOM 0 HA LYS A 72 -6.105 6.918 -10.248 1.00 0.78 H new ATOM 0 HB2 LYS A 72 -5.844 6.972 -7.206 1.00 0.76 H new ATOM 0 HB3 LYS A 72 -6.372 8.311 -8.206 1.00 0.76 H new ATOM 0 HG2 LYS A 72 -7.829 5.674 -7.825 1.00 1.18 H new ATOM 0 HG3 LYS A 72 -8.281 7.220 -7.135 1.00 1.18 H new ATOM 0 HD2 LYS A 72 -8.219 6.501 -10.088 1.00 1.40 H new ATOM 0 HD3 LYS A 72 -9.646 6.764 -9.106 1.00 1.40 H new ATOM 0 HE2 LYS A 72 -7.560 8.829 -9.899 1.00 2.07 H new ATOM 0 HE3 LYS A 72 -9.228 8.757 -10.430 1.00 2.07 H new ATOM 0 HZ1 LYS A 72 -9.089 10.397 -8.759 1.00 2.61 H new ATOM 0 HZ2 LYS A 72 -9.869 9.070 -8.043 1.00 2.61 H new ATOM 0 HZ3 LYS A 72 -8.234 9.380 -7.702 1.00 2.61 H new ATOM 1020 N CYS A 73 -3.320 6.556 -8.556 1.00 0.63 N ATOM 1021 CA CYS A 73 -1.992 7.105 -8.333 1.00 0.63 C ATOM 1022 C CYS A 73 -0.995 6.648 -9.394 1.00 0.62 C ATOM 1023 O CYS A 73 0.201 6.904 -9.276 1.00 0.77 O ATOM 1024 CB CYS A 73 -1.516 6.714 -6.935 1.00 0.72 C ATOM 1025 SG CYS A 73 -2.648 7.276 -5.618 1.00 1.65 S ATOM 0 H CYS A 73 -3.498 5.669 -8.085 1.00 0.63 H new ATOM 0 HA CYS A 73 -2.052 8.191 -8.410 1.00 0.63 H new ATOM 0 HB2 CYS A 73 -1.413 5.630 -6.881 1.00 0.72 H new ATOM 0 HB3 CYS A 73 -0.526 7.137 -6.762 1.00 0.72 H new ATOM 1030 N GLY A 74 -1.493 5.984 -10.435 1.00 0.61 N ATOM 1031 CA GLY A 74 -0.629 5.555 -11.519 1.00 0.67 C ATOM 1032 C GLY A 74 0.352 4.513 -11.048 1.00 0.66 C ATOM 1033 O GLY A 74 1.567 4.699 -11.119 1.00 0.96 O ATOM 0 H GLY A 74 -2.476 5.737 -10.546 1.00 0.61 H new ATOM 0 HA2 GLY A 74 -1.233 5.150 -12.331 1.00 0.67 H new ATOM 0 HA3 GLY A 74 -0.089 6.413 -11.920 1.00 0.67 H new ATOM 1037 N VAL A 75 -0.187 3.419 -10.554 1.00 0.55 N ATOM 1038 CA VAL A 75 0.609 2.403 -9.903 1.00 0.61 C ATOM 1039 C VAL A 75 0.680 1.126 -10.735 1.00 0.80 C ATOM 1040 O VAL A 75 1.764 0.734 -11.173 1.00 1.70 O ATOM 1041 CB VAL A 75 0.043 2.127 -8.493 1.00 0.63 C ATOM 1042 CG1 VAL A 75 0.520 0.805 -7.936 1.00 1.09 C ATOM 1043 CG2 VAL A 75 0.424 3.261 -7.557 1.00 0.51 C ATOM 0 H VAL A 75 -1.185 3.210 -10.592 1.00 0.55 H new ATOM 0 HA VAL A 75 1.631 2.770 -9.806 1.00 0.61 H new ATOM 0 HB VAL A 75 -1.042 2.068 -8.576 1.00 0.63 H new ATOM 0 HG11 VAL A 75 0.096 0.654 -6.943 1.00 1.09 H new ATOM 0 HG12 VAL A 75 0.200 -0.003 -8.593 1.00 1.09 H new ATOM 0 HG13 VAL A 75 1.608 0.810 -7.869 1.00 1.09 H new ATOM 0 HG21 VAL A 75 0.023 3.063 -6.563 1.00 0.51 H new ATOM 0 HG22 VAL A 75 1.510 3.338 -7.501 1.00 0.51 H new ATOM 0 HG23 VAL A 75 0.013 4.198 -7.934 1.00 0.51 H new ATOM 1053 N ASN A 76 -0.478 0.508 -10.956 1.00 0.78 N ATOM 1054 CA ASN A 76 -0.587 -0.731 -11.738 1.00 0.90 C ATOM 1055 C ASN A 76 0.341 -1.824 -11.206 1.00 0.81 C ATOM 1056 O ASN A 76 1.506 -1.923 -11.599 1.00 0.99 O ATOM 1057 CB ASN A 76 -0.298 -0.479 -13.222 1.00 1.23 C ATOM 1058 CG ASN A 76 -0.474 -1.730 -14.065 1.00 1.70 C ATOM 1059 OD1 ASN A 76 -1.306 -2.587 -13.766 1.00 2.27 O ATOM 1060 ND2 ASN A 76 0.312 -1.844 -15.122 1.00 2.31 N ATOM 0 H ASN A 76 -1.371 0.849 -10.599 1.00 0.78 H new ATOM 0 HA ASN A 76 -1.615 -1.078 -11.634 1.00 0.90 H new ATOM 0 HB2 ASN A 76 -0.963 0.302 -13.592 1.00 1.23 H new ATOM 0 HB3 ASN A 76 0.721 -0.109 -13.333 1.00 1.23 H new ATOM 0 HD21 ASN A 76 0.241 -2.664 -15.724 1.00 2.31 H new ATOM 0 HD22 ASN A 76 0.989 -1.111 -15.336 1.00 2.31 H new ATOM 1067 N ILE A 77 -0.180 -2.644 -10.311 1.00 0.78 N ATOM 1068 CA ILE A 77 0.596 -3.729 -9.731 1.00 0.91 C ATOM 1069 C ILE A 77 -0.192 -5.034 -9.782 1.00 0.85 C ATOM 1070 O ILE A 77 -1.408 -5.037 -9.595 1.00 0.82 O ATOM 1071 CB ILE A 77 1.024 -3.413 -8.275 1.00 1.19 C ATOM 1072 CG1 ILE A 77 -0.171 -2.905 -7.454 1.00 1.12 C ATOM 1073 CG2 ILE A 77 2.168 -2.406 -8.267 1.00 1.83 C ATOM 1074 CD1 ILE A 77 0.197 -2.346 -6.095 1.00 1.17 C ATOM 0 H ILE A 77 -1.139 -2.580 -9.969 1.00 0.78 H new ATOM 0 HA ILE A 77 1.503 -3.839 -10.325 1.00 0.91 H new ATOM 0 HB ILE A 77 1.378 -4.332 -7.809 1.00 1.19 H new ATOM 0 HG12 ILE A 77 -0.686 -2.132 -8.024 1.00 1.12 H new ATOM 0 HG13 ILE A 77 -0.877 -3.724 -7.318 1.00 1.12 H new ATOM 0 HG21 ILE A 77 2.458 -2.193 -7.238 1.00 1.83 H new ATOM 0 HG22 ILE A 77 3.020 -2.819 -8.807 1.00 1.83 H new ATOM 0 HG23 ILE A 77 1.845 -1.484 -8.751 1.00 1.83 H new ATOM 0 HD11 ILE A 77 -0.705 -2.010 -5.583 1.00 1.17 H new ATOM 0 HD12 ILE A 77 0.683 -3.121 -5.502 1.00 1.17 H new ATOM 0 HD13 ILE A 77 0.878 -1.504 -6.220 1.00 1.17 H new ATOM 1086 N PRO A 78 0.492 -6.152 -10.078 1.00 0.96 N ATOM 1087 CA PRO A 78 -0.141 -7.474 -10.179 1.00 1.03 C ATOM 1088 C PRO A 78 -0.727 -7.926 -8.848 1.00 0.91 C ATOM 1089 O PRO A 78 -1.797 -8.538 -8.792 1.00 1.28 O ATOM 1090 CB PRO A 78 1.011 -8.400 -10.590 1.00 1.24 C ATOM 1091 CG PRO A 78 2.075 -7.496 -11.117 1.00 1.35 C ATOM 1092 CD PRO A 78 1.937 -6.217 -10.349 1.00 1.15 C ATOM 0 HA PRO A 78 -0.973 -7.473 -10.883 1.00 1.03 H new ATOM 0 HB2 PRO A 78 1.372 -8.979 -9.740 1.00 1.24 H new ATOM 0 HB3 PRO A 78 0.690 -9.114 -11.349 1.00 1.24 H new ATOM 0 HG2 PRO A 78 3.064 -7.932 -10.977 1.00 1.35 H new ATOM 0 HG3 PRO A 78 1.950 -7.326 -12.186 1.00 1.35 H new ATOM 0 HD2 PRO A 78 2.521 -6.233 -9.429 1.00 1.15 H new ATOM 0 HD3 PRO A 78 2.279 -5.359 -10.928 1.00 1.15 H new ATOM 1100 N TYR A 79 -0.003 -7.627 -7.782 1.00 0.89 N ATOM 1101 CA TYR A 79 -0.464 -7.913 -6.435 1.00 0.80 C ATOM 1102 C TYR A 79 -1.373 -6.792 -5.957 1.00 0.85 C ATOM 1103 O TYR A 79 -1.494 -5.760 -6.615 1.00 1.07 O ATOM 1104 CB TYR A 79 0.726 -8.083 -5.485 1.00 0.91 C ATOM 1105 CG TYR A 79 1.767 -6.991 -5.606 1.00 0.81 C ATOM 1106 CD1 TYR A 79 1.512 -5.700 -5.154 1.00 0.99 C ATOM 1107 CD2 TYR A 79 3.005 -7.252 -6.180 1.00 0.84 C ATOM 1108 CE1 TYR A 79 2.460 -4.705 -5.273 1.00 1.13 C ATOM 1109 CE2 TYR A 79 3.959 -6.262 -6.298 1.00 0.99 C ATOM 1110 CZ TYR A 79 3.683 -4.989 -5.847 1.00 1.10 C ATOM 1111 OH TYR A 79 4.632 -3.999 -5.976 1.00 1.38 O ATOM 0 H TYR A 79 0.914 -7.183 -7.826 1.00 0.89 H new ATOM 0 HA TYR A 79 -1.027 -8.847 -6.443 1.00 0.80 H new ATOM 0 HB2 TYR A 79 0.359 -8.109 -4.459 1.00 0.91 H new ATOM 0 HB3 TYR A 79 1.199 -9.046 -5.679 1.00 0.91 H new ATOM 0 HD1 TYR A 79 0.557 -5.473 -4.703 1.00 0.99 H new ATOM 0 HD2 TYR A 79 3.224 -8.246 -6.540 1.00 0.84 H new ATOM 0 HE1 TYR A 79 2.246 -3.708 -4.918 1.00 1.13 H new ATOM 0 HE2 TYR A 79 4.918 -6.484 -6.742 1.00 0.99 H new ATOM 0 HH TYR A 79 5.435 -4.369 -6.399 1.00 1.38 H new ATOM 1121 N LYS A 80 -2.005 -6.980 -4.814 1.00 0.87 N ATOM 1122 CA LYS A 80 -2.924 -5.983 -4.303 1.00 1.11 C ATOM 1123 C LYS A 80 -2.512 -5.525 -2.918 1.00 1.06 C ATOM 1124 O LYS A 80 -1.751 -6.202 -2.225 1.00 1.49 O ATOM 1125 CB LYS A 80 -4.352 -6.533 -4.267 1.00 1.41 C ATOM 1126 CG LYS A 80 -4.908 -6.872 -5.639 1.00 2.02 C ATOM 1127 CD LYS A 80 -4.876 -5.665 -6.563 1.00 2.55 C ATOM 1128 CE LYS A 80 -5.464 -5.994 -7.928 1.00 3.04 C ATOM 1129 NZ LYS A 80 -6.881 -6.445 -7.835 1.00 3.48 N ATOM 0 H LYS A 80 -1.900 -7.807 -4.226 1.00 0.87 H new ATOM 0 HA LYS A 80 -2.893 -5.126 -4.975 1.00 1.11 H new ATOM 0 HB2 LYS A 80 -4.372 -7.428 -3.645 1.00 1.41 H new ATOM 0 HB3 LYS A 80 -5.003 -5.799 -3.792 1.00 1.41 H new ATOM 0 HG2 LYS A 80 -4.328 -7.684 -6.078 1.00 2.02 H new ATOM 0 HG3 LYS A 80 -5.933 -7.230 -5.540 1.00 2.02 H new ATOM 0 HD2 LYS A 80 -5.435 -4.845 -6.112 1.00 2.55 H new ATOM 0 HD3 LYS A 80 -3.848 -5.323 -6.681 1.00 2.55 H new ATOM 0 HE2 LYS A 80 -5.406 -5.114 -8.569 1.00 3.04 H new ATOM 0 HE3 LYS A 80 -4.867 -6.773 -8.401 1.00 3.04 H new ATOM 0 HZ1 LYS A 80 -7.288 -6.512 -8.790 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -6.919 -7.378 -7.377 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -7.427 -5.761 -7.273 1.00 3.48 H new ATOM 1143 N ILE A 81 -3.019 -4.361 -2.532 1.00 1.13 N ATOM 1144 CA ILE A 81 -2.820 -3.830 -1.194 1.00 1.19 C ATOM 1145 C ILE A 81 -3.555 -4.711 -0.184 1.00 1.22 C ATOM 1146 O ILE A 81 -3.167 -4.803 0.979 1.00 1.37 O ATOM 1147 CB ILE A 81 -3.305 -2.357 -1.124 1.00 1.52 C ATOM 1148 CG1 ILE A 81 -3.137 -1.749 0.281 1.00 2.09 C ATOM 1149 CG2 ILE A 81 -4.749 -2.257 -1.590 1.00 1.88 C ATOM 1150 CD1 ILE A 81 -4.338 -1.909 1.196 1.00 2.55 C ATOM 0 H ILE A 81 -3.578 -3.761 -3.138 1.00 1.13 H new ATOM 0 HA ILE A 81 -1.758 -3.838 -0.949 1.00 1.19 H new ATOM 0 HB ILE A 81 -2.674 -1.773 -1.794 1.00 1.52 H new ATOM 0 HG12 ILE A 81 -2.271 -2.208 0.758 1.00 2.09 H new ATOM 0 HG13 ILE A 81 -2.917 -0.686 0.177 1.00 2.09 H new ATOM 0 HG21 ILE A 81 -5.078 -1.219 -1.536 1.00 1.88 H new ATOM 0 HG22 ILE A 81 -4.824 -2.609 -2.619 1.00 1.88 H new ATOM 0 HG23 ILE A 81 -5.381 -2.871 -0.949 1.00 1.88 H new ATOM 0 HD11 ILE A 81 -4.124 -1.450 2.161 1.00 2.55 H new ATOM 0 HD12 ILE A 81 -5.205 -1.424 0.747 1.00 2.55 H new ATOM 0 HD13 ILE A 81 -4.549 -2.969 1.338 1.00 2.55 H new ATOM 1162 N SER A 82 -4.616 -5.362 -0.657 1.00 1.31 N ATOM 1163 CA SER A 82 -5.320 -6.359 0.125 1.00 1.50 C ATOM 1164 C SER A 82 -4.319 -7.390 0.643 1.00 1.47 C ATOM 1165 O SER A 82 -3.495 -7.896 -0.120 1.00 1.81 O ATOM 1166 CB SER A 82 -6.382 -7.024 -0.744 1.00 1.79 C ATOM 1167 OG SER A 82 -7.124 -6.046 -1.458 1.00 2.45 O ATOM 0 H SER A 82 -5.005 -5.210 -1.588 1.00 1.31 H new ATOM 0 HA SER A 82 -5.812 -5.891 0.977 1.00 1.50 H new ATOM 0 HB2 SER A 82 -5.909 -7.713 -1.444 1.00 1.79 H new ATOM 0 HB3 SER A 82 -7.053 -7.615 -0.120 1.00 1.79 H new ATOM 0 HG SER A 82 -7.800 -6.489 -2.012 1.00 2.45 H new ATOM 1173 N THR A 83 -4.409 -7.714 1.925 1.00 1.47 N ATOM 1174 CA THR A 83 -3.343 -8.435 2.607 1.00 1.50 C ATOM 1175 C THR A 83 -3.358 -9.942 2.297 1.00 1.59 C ATOM 1176 O THR A 83 -2.786 -10.750 3.031 1.00 1.72 O ATOM 1177 CB THR A 83 -3.416 -8.194 4.131 1.00 1.65 C ATOM 1178 OG1 THR A 83 -2.212 -8.648 4.752 1.00 2.04 O ATOM 1179 CG2 THR A 83 -4.616 -8.894 4.753 1.00 1.68 C ATOM 0 H THR A 83 -5.210 -7.489 2.515 1.00 1.47 H new ATOM 0 HA THR A 83 -2.399 -8.042 2.228 1.00 1.50 H new ATOM 0 HB THR A 83 -3.533 -7.123 4.295 1.00 1.65 H new ATOM 0 HG1 THR A 83 -1.466 -8.559 4.123 1.00 2.04 H new ATOM 0 HG21 THR A 83 -4.634 -8.701 5.826 1.00 1.68 H new ATOM 0 HG22 THR A 83 -5.533 -8.515 4.301 1.00 1.68 H new ATOM 0 HG23 THR A 83 -4.542 -9.967 4.578 1.00 1.68 H new ATOM 1187 N SER A 84 -3.971 -10.306 1.182 1.00 1.68 N ATOM 1188 CA SER A 84 -3.956 -11.681 0.710 1.00 1.82 C ATOM 1189 C SER A 84 -2.723 -11.887 -0.177 1.00 1.55 C ATOM 1190 O SER A 84 -2.595 -12.889 -0.886 1.00 1.77 O ATOM 1191 CB SER A 84 -5.247 -11.969 -0.071 1.00 2.22 C ATOM 1192 OG SER A 84 -5.453 -13.360 -0.267 1.00 2.76 O ATOM 0 H SER A 84 -4.489 -9.663 0.583 1.00 1.68 H new ATOM 0 HA SER A 84 -3.905 -12.371 1.553 1.00 1.82 H new ATOM 0 HB2 SER A 84 -6.097 -11.549 0.467 1.00 2.22 H new ATOM 0 HB3 SER A 84 -5.204 -11.469 -1.039 1.00 2.22 H new ATOM 0 HG SER A 84 -4.613 -13.779 -0.549 1.00 2.76 H new ATOM 1198 N THR A 85 -1.816 -10.918 -0.112 1.00 1.28 N ATOM 1199 CA THR A 85 -0.618 -10.898 -0.929 1.00 1.11 C ATOM 1200 C THR A 85 0.338 -12.033 -0.570 1.00 0.96 C ATOM 1201 O THR A 85 0.631 -12.268 0.605 1.00 1.52 O ATOM 1202 CB THR A 85 0.112 -9.559 -0.743 1.00 1.30 C ATOM 1203 OG1 THR A 85 -0.739 -8.644 -0.034 1.00 2.05 O ATOM 1204 CG2 THR A 85 0.506 -8.962 -2.086 1.00 0.91 C ATOM 0 H THR A 85 -1.897 -10.119 0.517 1.00 1.28 H new ATOM 0 HA THR A 85 -0.928 -11.027 -1.966 1.00 1.11 H new ATOM 0 HB THR A 85 1.022 -9.736 -0.169 1.00 1.30 H new ATOM 0 HG1 THR A 85 -0.273 -7.790 0.086 1.00 2.05 H new ATOM 0 HG21 THR A 85 1.021 -8.015 -1.926 1.00 0.91 H new ATOM 0 HG22 THR A 85 1.168 -9.651 -2.610 1.00 0.91 H new ATOM 0 HG23 THR A 85 -0.389 -8.792 -2.685 1.00 0.91 H new ATOM 1212 N ASN A 86 0.814 -12.738 -1.586 1.00 1.23 N ATOM 1213 CA ASN A 86 1.846 -13.754 -1.401 1.00 1.36 C ATOM 1214 C ASN A 86 3.194 -13.060 -1.220 1.00 1.10 C ATOM 1215 O ASN A 86 4.050 -13.083 -2.107 1.00 1.53 O ATOM 1216 CB ASN A 86 1.882 -14.709 -2.602 1.00 1.81 C ATOM 1217 CG ASN A 86 2.718 -15.959 -2.359 1.00 2.40 C ATOM 1218 OD1 ASN A 86 3.699 -15.945 -1.611 1.00 3.05 O ATOM 1219 ND2 ASN A 86 2.329 -17.052 -3.000 1.00 2.73 N ATOM 0 H ASN A 86 0.502 -12.626 -2.551 1.00 1.23 H new ATOM 0 HA ASN A 86 1.622 -14.347 -0.514 1.00 1.36 H new ATOM 0 HB2 ASN A 86 0.863 -15.006 -2.851 1.00 1.81 H new ATOM 0 HB3 ASN A 86 2.280 -14.178 -3.467 1.00 1.81 H new ATOM 0 HD21 ASN A 86 2.847 -17.923 -2.883 1.00 2.73 H new ATOM 0 HD22 ASN A 86 1.512 -17.022 -3.610 1.00 2.73 H new ATOM 1226 N CYS A 87 3.353 -12.429 -0.060 1.00 0.87 N ATOM 1227 CA CYS A 87 4.482 -11.546 0.229 1.00 0.72 C ATOM 1228 C CYS A 87 5.829 -12.209 -0.040 1.00 0.83 C ATOM 1229 O CYS A 87 6.703 -11.618 -0.676 1.00 1.10 O ATOM 1230 CB CYS A 87 4.406 -11.085 1.690 1.00 0.90 C ATOM 1231 SG CYS A 87 5.842 -10.119 2.250 1.00 1.71 S ATOM 0 H CYS A 87 2.695 -12.516 0.715 1.00 0.87 H new ATOM 0 HA CYS A 87 4.411 -10.690 -0.442 1.00 0.72 H new ATOM 0 HB2 CYS A 87 3.506 -10.485 1.822 1.00 0.90 H new ATOM 0 HB3 CYS A 87 4.301 -11.961 2.330 1.00 0.90 H new ATOM 1236 N ASN A 88 5.975 -13.446 0.407 1.00 0.91 N ATOM 1237 CA ASN A 88 7.261 -14.147 0.364 1.00 1.09 C ATOM 1238 C ASN A 88 7.785 -14.323 -1.059 1.00 1.10 C ATOM 1239 O ASN A 88 8.965 -14.600 -1.257 1.00 1.24 O ATOM 1240 CB ASN A 88 7.138 -15.518 1.036 1.00 1.38 C ATOM 1241 CG ASN A 88 6.891 -15.425 2.532 1.00 2.04 C ATOM 1242 OD1 ASN A 88 6.325 -14.448 3.026 1.00 2.76 O ATOM 1243 ND2 ASN A 88 7.300 -16.450 3.261 1.00 2.55 N ATOM 0 H ASN A 88 5.215 -13.995 0.808 1.00 0.91 H new ATOM 0 HA ASN A 88 7.977 -13.528 0.904 1.00 1.09 H new ATOM 0 HB2 ASN A 88 6.322 -16.072 0.572 1.00 1.38 H new ATOM 0 HB3 ASN A 88 8.051 -16.087 0.859 1.00 1.38 H new ATOM 0 HD21 ASN A 88 7.151 -16.450 4.270 1.00 2.55 H new ATOM 0 HD22 ASN A 88 7.765 -17.240 2.814 1.00 2.55 H new ATOM 1250 N SER A 89 6.925 -14.167 -2.056 1.00 1.12 N ATOM 1251 CA SER A 89 7.353 -14.369 -3.433 1.00 1.29 C ATOM 1252 C SER A 89 6.715 -13.369 -4.395 1.00 1.42 C ATOM 1253 O SER A 89 6.550 -13.665 -5.580 1.00 2.21 O ATOM 1254 CB SER A 89 7.018 -15.794 -3.867 1.00 1.53 C ATOM 1255 OG SER A 89 7.627 -16.749 -3.011 1.00 2.11 O ATOM 0 H SER A 89 5.946 -13.906 -1.942 1.00 1.12 H new ATOM 0 HA SER A 89 8.430 -14.207 -3.470 1.00 1.29 H new ATOM 0 HB2 SER A 89 5.937 -15.934 -3.861 1.00 1.53 H new ATOM 0 HB3 SER A 89 7.355 -15.953 -4.891 1.00 1.53 H new ATOM 0 HG SER A 89 7.395 -17.653 -3.311 1.00 2.11 H new ATOM 1261 N ILE A 90 6.378 -12.178 -3.911 1.00 1.14 N ATOM 1262 CA ILE A 90 5.884 -11.129 -4.804 1.00 1.35 C ATOM 1263 C ILE A 90 7.001 -10.661 -5.728 1.00 1.76 C ATOM 1264 O ILE A 90 6.752 -10.057 -6.770 1.00 2.17 O ATOM 1265 CB ILE A 90 5.321 -9.902 -4.060 1.00 1.10 C ATOM 1266 CG1 ILE A 90 6.379 -9.281 -3.150 1.00 1.08 C ATOM 1267 CG2 ILE A 90 4.082 -10.275 -3.269 1.00 1.14 C ATOM 1268 CD1 ILE A 90 5.932 -7.980 -2.519 1.00 0.97 C ATOM 0 H ILE A 90 6.435 -11.915 -2.927 1.00 1.14 H new ATOM 0 HA ILE A 90 5.066 -11.577 -5.368 1.00 1.35 H new ATOM 0 HB ILE A 90 5.039 -9.157 -4.804 1.00 1.10 H new ATOM 0 HG12 ILE A 90 6.634 -9.991 -2.363 1.00 1.08 H new ATOM 0 HG13 ILE A 90 7.287 -9.105 -3.727 1.00 1.08 H new ATOM 0 HG21 ILE A 90 3.702 -9.394 -2.752 1.00 1.14 H new ATOM 0 HG22 ILE A 90 3.318 -10.656 -3.947 1.00 1.14 H new ATOM 0 HG23 ILE A 90 4.334 -11.044 -2.539 1.00 1.14 H new ATOM 0 HD11 ILE A 90 6.728 -7.591 -1.885 1.00 0.97 H new ATOM 0 HD12 ILE A 90 5.704 -7.256 -3.301 1.00 0.97 H new ATOM 0 HD13 ILE A 90 5.041 -8.155 -1.916 1.00 0.97 H new ATOM 1280 N ASN A 91 8.231 -10.946 -5.326 1.00 2.27 N ATOM 1281 CA ASN A 91 9.398 -10.618 -6.128 1.00 2.91 C ATOM 1282 C ASN A 91 9.648 -11.690 -7.185 1.00 3.60 C ATOM 1283 O ASN A 91 9.191 -11.504 -8.330 1.00 4.24 O ATOM 1284 CB ASN A 91 10.639 -10.397 -5.240 1.00 3.41 C ATOM 1285 CG ASN A 91 10.787 -11.388 -4.085 1.00 4.21 C ATOM 1286 OD1 ASN A 91 11.266 -11.025 -3.012 1.00 4.78 O ATOM 1287 ND2 ASN A 91 10.417 -12.639 -4.295 1.00 4.68 N ATOM 1288 OXT ASN A 91 10.267 -12.724 -6.866 1.00 3.95 O ATOM 0 H ASN A 91 8.446 -11.407 -4.442 1.00 2.27 H new ATOM 0 HA ASN A 91 9.200 -9.681 -6.648 1.00 2.91 H new ATOM 0 HB2 ASN A 91 11.530 -10.454 -5.865 1.00 3.41 H new ATOM 0 HB3 ASN A 91 10.600 -9.387 -4.831 1.00 3.41 H new ATOM 0 HD21 ASN A 91 10.526 -13.334 -3.556 1.00 4.68 H new ATOM 0 HD22 ASN A 91 10.023 -12.910 -5.196 1.00 4.68 H new TER 1295 ASN A 91