USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 766 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 69 LYS NZ :NH3+ 166:sc= 1.48 (180deg=0.0421) USER MOD Set 1.2: A 76 THR OG1 : rot -90:sc= 1.52 USER MOD Set 2.1: A 7 MET CE :methyl 167:sc= -0.0374 (180deg=-0.299) USER MOD Set 2.2: A 39 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.5!) USER MOD Set 2.3: A 40 SER OG : rot 11:sc= 0.0381 USER MOD Set 3.1: A 9 GLN : amide:sc= -2.29! K(o=-10!,f=-12) USER MOD Set 3.2: A 10 THR OG1 : rot 180:sc= -2.11! USER MOD Set 3.3: A 19 SER OG : rot 40:sc= -0.725 USER MOD Set 3.4: A 85 ASN : amide:sc= -4.92 K(o=-10,f=-15!) USER MOD Set 4.1: A 1 MET CE :methyl -161:sc= -0.221 (180deg=-0.967) USER MOD Set 4.2: A 4 THR OG1 : rot 1:sc= 1.01 USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.003 (180deg=-0.132) USER MOD Single : A 3 LYS NZ :NH3+ -126:sc= -0.0659 (180deg=-0.894) USER MOD Single : A 13 MET CE :methyl -164:sc= -0.0437 (180deg=-0.376) USER MOD Single : A 15 THR OG1 : rot 150:sc= -0.483 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.15) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 62:sc= -1.07 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 37 GLN : amide:sc= -1.68! K(o=-1.7!,f=-0.9) USER MOD Single : A 45 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.0039) USER MOD Single : A 49 GLN : amide:sc= 0.578 K(o=0.58,f=-1.6!) USER MOD Single : A 55 THR OG1 : rot -74:sc= -1.19 USER MOD Single : A 62 GLN : amide:sc= -7.74! C(o=-7.7!,f=-9.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -150:sc= 2.23 (180deg=1.41) USER MOD Single : A 70 SER OG : rot 27:sc= 0.445 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -116:sc= -0.107 (180deg=-0.519) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -157:sc= -0.269 (180deg=-0.984) USER MOD Single : A 84 GLN : amide:sc= -1.34 K(o=-1.3,f=-6.9!) USER MOD Single : A 87 CYS SG : rot 130:sc= 0.551 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 165:sc= 1.08 (180deg=0.202!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.850 10.324 -13.306 1.00 4.19 N ATOM 2 CA MET A 1 7.747 9.629 -12.602 1.00 3.57 C ATOM 3 C MET A 1 7.289 10.437 -11.395 1.00 2.58 C ATOM 4 O MET A 1 8.101 11.043 -10.690 1.00 2.86 O ATOM 5 CB MET A 1 8.212 8.246 -12.145 1.00 4.32 C ATOM 6 CG MET A 1 8.466 7.277 -13.286 1.00 5.05 C ATOM 7 SD MET A 1 6.953 6.837 -14.160 1.00 6.03 S ATOM 8 CE MET A 1 6.030 6.047 -12.844 1.00 6.63 C ATOM 0 H1 MET A 1 8.563 10.528 -14.285 1.00 4.19 H new ATOM 0 H2 MET A 1 9.068 11.215 -12.816 1.00 4.19 H new ATOM 0 H3 MET A 1 9.695 9.717 -13.312 1.00 4.19 H new ATOM 0 HA MET A 1 6.910 9.523 -13.292 1.00 3.57 H new ATOM 0 HB2 MET A 1 9.127 8.355 -11.563 1.00 4.32 H new ATOM 0 HB3 MET A 1 7.460 7.821 -11.481 1.00 4.32 H new ATOM 0 HG2 MET A 1 9.172 7.722 -13.987 1.00 5.05 H new ATOM 0 HG3 MET A 1 8.933 6.373 -12.895 1.00 5.05 H new ATOM 0 HE1 MET A 1 5.240 5.430 -13.273 1.00 6.63 H new ATOM 0 HE2 MET A 1 6.700 5.421 -12.255 1.00 6.63 H new ATOM 0 HE3 MET A 1 5.587 6.809 -12.202 1.00 6.63 H new ATOM 19 N ALA A 2 5.977 10.440 -11.167 1.00 2.10 N ATOM 20 CA ALA A 2 5.384 11.134 -10.029 1.00 1.89 C ATOM 21 C ALA A 2 5.752 10.433 -8.731 1.00 1.69 C ATOM 22 O ALA A 2 5.830 11.057 -7.673 1.00 2.38 O ATOM 23 CB ALA A 2 3.872 11.210 -10.185 1.00 2.89 C ATOM 0 H ALA A 2 5.300 9.964 -11.763 1.00 2.10 H new ATOM 0 HA ALA A 2 5.779 12.149 -9.996 1.00 1.89 H new ATOM 0 HB1 ALA A 2 3.444 11.730 -9.328 1.00 2.89 H new ATOM 0 HB2 ALA A 2 3.627 11.752 -11.098 1.00 2.89 H new ATOM 0 HB3 ALA A 2 3.461 10.202 -10.240 1.00 2.89 H new ATOM 29 N LYS A 3 5.962 9.127 -8.817 1.00 1.22 N ATOM 30 CA LYS A 3 6.457 8.359 -7.687 1.00 0.97 C ATOM 31 C LYS A 3 7.235 7.155 -8.180 1.00 1.06 C ATOM 32 O LYS A 3 6.680 6.280 -8.843 1.00 1.96 O ATOM 33 CB LYS A 3 5.321 7.889 -6.783 1.00 0.75 C ATOM 34 CG LYS A 3 5.799 7.424 -5.416 1.00 0.46 C ATOM 35 CD LYS A 3 4.746 6.577 -4.729 1.00 0.42 C ATOM 36 CE LYS A 3 4.825 6.696 -3.218 1.00 0.29 C ATOM 37 NZ LYS A 3 4.480 8.056 -2.720 1.00 0.44 N ATOM 0 H LYS A 3 5.796 8.578 -9.660 1.00 1.22 H new ATOM 0 HA LYS A 3 7.108 9.012 -7.106 1.00 0.97 H new ATOM 0 HB2 LYS A 3 4.607 8.703 -6.654 1.00 0.75 H new ATOM 0 HB3 LYS A 3 4.789 7.073 -7.272 1.00 0.75 H new ATOM 0 HG2 LYS A 3 6.719 6.849 -5.525 1.00 0.46 H new ATOM 0 HG3 LYS A 3 6.036 8.289 -4.796 1.00 0.46 H new ATOM 0 HD2 LYS A 3 3.756 6.884 -5.067 1.00 0.42 H new ATOM 0 HD3 LYS A 3 4.873 5.534 -5.019 1.00 0.42 H new ATOM 0 HE2 LYS A 3 4.150 5.968 -2.767 1.00 0.29 H new ATOM 0 HE3 LYS A 3 5.833 6.441 -2.892 1.00 0.29 H new ATOM 0 HZ1 LYS A 3 5.251 8.412 -2.119 1.00 0.44 H new ATOM 0 HZ2 LYS A 3 4.346 8.698 -3.527 1.00 0.44 H new ATOM 0 HZ3 LYS A 3 3.602 8.010 -2.165 1.00 0.44 H new ATOM 51 N THR A 4 8.511 7.130 -7.847 1.00 0.55 N ATOM 52 CA THR A 4 9.423 6.058 -8.228 1.00 0.59 C ATOM 53 C THR A 4 10.759 6.276 -7.534 1.00 0.59 C ATOM 54 O THR A 4 11.259 5.398 -6.830 1.00 0.84 O ATOM 55 CB THR A 4 9.671 5.978 -9.761 1.00 0.79 C ATOM 56 OG1 THR A 4 8.480 5.586 -10.451 1.00 1.37 O ATOM 57 CG2 THR A 4 10.778 4.986 -10.088 1.00 1.30 C ATOM 0 H THR A 4 8.955 7.864 -7.295 1.00 0.55 H new ATOM 0 HA THR A 4 8.956 5.121 -7.924 1.00 0.59 H new ATOM 0 HB THR A 4 9.972 6.973 -10.090 1.00 0.79 H new ATOM 0 HG1 THR A 4 7.754 5.461 -9.805 1.00 1.37 H new ATOM 0 HG21 THR A 4 10.929 4.952 -11.167 1.00 1.30 H new ATOM 0 HG22 THR A 4 11.702 5.299 -9.602 1.00 1.30 H new ATOM 0 HG23 THR A 4 10.497 3.996 -9.729 1.00 1.30 H new ATOM 65 N GLU A 5 11.314 7.470 -7.709 1.00 0.65 N ATOM 66 CA GLU A 5 12.630 7.775 -7.181 1.00 0.77 C ATOM 67 C GLU A 5 12.525 8.429 -5.806 1.00 0.71 C ATOM 68 O GLU A 5 12.553 9.653 -5.675 1.00 1.25 O ATOM 69 CB GLU A 5 13.401 8.669 -8.156 1.00 1.05 C ATOM 70 CG GLU A 5 14.860 8.863 -7.776 1.00 1.70 C ATOM 71 CD GLU A 5 15.587 7.548 -7.584 1.00 2.55 C ATOM 72 OE1 GLU A 5 15.595 7.030 -6.446 1.00 3.43 O ATOM 73 OE2 GLU A 5 16.153 7.026 -8.567 1.00 2.70 O ATOM 0 H GLU A 5 10.871 8.239 -8.212 1.00 0.65 H new ATOM 0 HA GLU A 5 13.180 6.841 -7.065 1.00 0.77 H new ATOM 0 HB2 GLU A 5 13.348 8.234 -9.154 1.00 1.05 H new ATOM 0 HB3 GLU A 5 12.914 9.643 -8.206 1.00 1.05 H new ATOM 0 HG2 GLU A 5 15.361 9.442 -8.552 1.00 1.70 H new ATOM 0 HG3 GLU A 5 14.919 9.445 -6.856 1.00 1.70 H new ATOM 80 N GLU A 6 12.391 7.591 -4.792 1.00 0.58 N ATOM 81 CA GLU A 6 12.317 8.033 -3.407 1.00 0.45 C ATOM 82 C GLU A 6 12.853 6.951 -2.486 1.00 0.38 C ATOM 83 O GLU A 6 14.039 6.922 -2.166 1.00 0.44 O ATOM 84 CB GLU A 6 10.877 8.334 -2.991 1.00 0.45 C ATOM 85 CG GLU A 6 10.432 9.770 -3.168 1.00 0.66 C ATOM 86 CD GLU A 6 11.393 10.757 -2.543 1.00 1.75 C ATOM 87 OE1 GLU A 6 11.593 10.697 -1.312 1.00 2.53 O ATOM 88 OE2 GLU A 6 11.935 11.611 -3.273 1.00 2.17 O ATOM 0 H GLU A 6 12.330 6.579 -4.906 1.00 0.58 H new ATOM 0 HA GLU A 6 12.914 8.942 -3.326 1.00 0.45 H new ATOM 0 HB2 GLU A 6 10.210 7.692 -3.566 1.00 0.45 H new ATOM 0 HB3 GLU A 6 10.756 8.061 -1.943 1.00 0.45 H new ATOM 0 HG2 GLU A 6 10.334 9.988 -4.231 1.00 0.66 H new ATOM 0 HG3 GLU A 6 9.445 9.898 -2.724 1.00 0.66 H new ATOM 95 N MET A 7 11.955 6.046 -2.101 1.00 0.32 N ATOM 96 CA MET A 7 12.255 4.988 -1.150 1.00 0.29 C ATOM 97 C MET A 7 12.794 5.547 0.159 1.00 0.34 C ATOM 98 O MET A 7 13.722 4.988 0.729 1.00 0.70 O ATOM 99 CB MET A 7 13.223 3.964 -1.746 1.00 0.35 C ATOM 100 CG MET A 7 12.528 2.760 -2.354 1.00 0.30 C ATOM 101 SD MET A 7 13.654 1.695 -3.271 1.00 0.45 S ATOM 102 CE MET A 7 14.772 1.169 -1.972 1.00 1.60 C ATOM 0 H MET A 7 10.995 6.030 -2.444 1.00 0.32 H new ATOM 0 HA MET A 7 11.318 4.477 -0.930 1.00 0.29 H new ATOM 0 HB2 MET A 7 13.828 4.450 -2.512 1.00 0.35 H new ATOM 0 HB3 MET A 7 13.906 3.625 -0.967 1.00 0.35 H new ATOM 0 HG2 MET A 7 12.053 2.182 -1.562 1.00 0.30 H new ATOM 0 HG3 MET A 7 11.735 3.101 -3.019 1.00 0.30 H new ATOM 0 HE1 MET A 7 15.377 0.335 -2.328 1.00 1.60 H new ATOM 0 HE2 MET A 7 15.423 1.998 -1.695 1.00 1.60 H new ATOM 0 HE3 MET A 7 14.196 0.854 -1.102 1.00 1.60 H new ATOM 112 N VAL A 8 12.215 6.665 0.608 1.00 0.31 N ATOM 113 CA VAL A 8 12.509 7.229 1.931 1.00 0.30 C ATOM 114 C VAL A 8 11.431 8.228 2.373 1.00 0.31 C ATOM 115 O VAL A 8 11.655 9.436 2.353 1.00 0.46 O ATOM 116 CB VAL A 8 13.884 7.954 2.001 1.00 0.39 C ATOM 117 CG1 VAL A 8 15.005 6.999 2.385 1.00 1.50 C ATOM 118 CG2 VAL A 8 14.208 8.650 0.684 1.00 1.12 C ATOM 0 H VAL A 8 11.534 7.202 0.070 1.00 0.31 H new ATOM 0 HA VAL A 8 12.531 6.368 2.599 1.00 0.30 H new ATOM 0 HB VAL A 8 13.806 8.711 2.781 1.00 0.39 H new ATOM 0 HG11 VAL A 8 15.949 7.543 2.423 1.00 1.50 H new ATOM 0 HG12 VAL A 8 14.795 6.566 3.363 1.00 1.50 H new ATOM 0 HG13 VAL A 8 15.075 6.203 1.644 1.00 1.50 H new ATOM 0 HG21 VAL A 8 15.174 9.148 0.764 1.00 1.12 H new ATOM 0 HG22 VAL A 8 14.245 7.913 -0.118 1.00 1.12 H new ATOM 0 HG23 VAL A 8 13.437 9.388 0.463 1.00 1.12 H new ATOM 128 N GLN A 9 10.257 7.734 2.767 1.00 0.23 N ATOM 129 CA GLN A 9 9.260 8.602 3.390 1.00 0.24 C ATOM 130 C GLN A 9 8.927 8.143 4.816 1.00 0.26 C ATOM 131 O GLN A 9 9.232 8.846 5.777 1.00 0.38 O ATOM 132 CB GLN A 9 7.994 8.717 2.538 1.00 0.26 C ATOM 133 CG GLN A 9 8.156 9.635 1.334 1.00 0.31 C ATOM 134 CD GLN A 9 6.844 9.929 0.623 1.00 1.15 C ATOM 135 OE1 GLN A 9 6.817 10.132 -0.588 1.00 1.97 O ATOM 136 NE2 GLN A 9 5.753 9.975 1.365 1.00 1.86 N ATOM 0 H GLN A 9 9.977 6.758 2.669 1.00 0.23 H new ATOM 0 HA GLN A 9 9.700 9.597 3.455 1.00 0.24 H new ATOM 0 HB2 GLN A 9 7.706 7.724 2.192 1.00 0.26 H new ATOM 0 HB3 GLN A 9 7.179 9.086 3.160 1.00 0.26 H new ATOM 0 HG2 GLN A 9 8.604 10.574 1.659 1.00 0.31 H new ATOM 0 HG3 GLN A 9 8.850 9.179 0.628 1.00 0.31 H new ATOM 0 HE21 GLN A 9 5.811 9.801 2.368 1.00 1.86 H new ATOM 0 HE22 GLN A 9 4.852 10.184 0.935 1.00 1.86 H new ATOM 145 N THR A 10 8.332 6.961 4.964 1.00 0.21 N ATOM 146 CA THR A 10 7.958 6.464 6.292 1.00 0.21 C ATOM 147 C THR A 10 8.777 5.226 6.677 1.00 0.21 C ATOM 148 O THR A 10 8.613 4.156 6.091 1.00 0.21 O ATOM 149 CB THR A 10 6.457 6.121 6.351 1.00 0.23 C ATOM 150 OG1 THR A 10 5.694 7.196 5.789 1.00 0.26 O ATOM 151 CG2 THR A 10 6.011 5.885 7.787 1.00 0.28 C ATOM 0 H THR A 10 8.100 6.334 4.193 1.00 0.21 H new ATOM 0 HA THR A 10 8.172 7.262 7.003 1.00 0.21 H new ATOM 0 HB THR A 10 6.291 5.208 5.778 1.00 0.23 H new ATOM 0 HG1 THR A 10 4.740 6.974 5.826 1.00 0.26 H new ATOM 0 HG21 THR A 10 4.948 5.645 7.803 1.00 0.28 H new ATOM 0 HG22 THR A 10 6.577 5.056 8.212 1.00 0.28 H new ATOM 0 HG23 THR A 10 6.188 6.785 8.376 1.00 0.28 H new ATOM 159 N GLU A 11 9.674 5.385 7.644 1.00 0.25 N ATOM 160 CA GLU A 11 10.546 4.300 8.085 1.00 0.28 C ATOM 161 C GLU A 11 9.930 3.468 9.218 1.00 0.25 C ATOM 162 O GLU A 11 9.148 3.975 10.024 1.00 0.40 O ATOM 163 CB GLU A 11 11.869 4.893 8.554 1.00 0.45 C ATOM 164 CG GLU A 11 12.957 3.863 8.793 1.00 0.47 C ATOM 165 CD GLU A 11 14.219 4.482 9.351 1.00 0.70 C ATOM 166 OE1 GLU A 11 15.077 4.904 8.555 1.00 1.15 O ATOM 167 OE2 GLU A 11 14.360 4.546 10.591 1.00 1.50 O ATOM 0 H GLU A 11 9.818 6.263 8.142 1.00 0.25 H new ATOM 0 HA GLU A 11 10.694 3.629 7.239 1.00 0.28 H new ATOM 0 HB2 GLU A 11 12.218 5.609 7.810 1.00 0.45 H new ATOM 0 HB3 GLU A 11 11.700 5.448 9.477 1.00 0.45 H new ATOM 0 HG2 GLU A 11 12.591 3.104 9.484 1.00 0.47 H new ATOM 0 HG3 GLU A 11 13.187 3.356 7.856 1.00 0.47 H new ATOM 174 N GLU A 12 10.299 2.187 9.256 1.00 0.31 N ATOM 175 CA GLU A 12 9.933 1.275 10.338 1.00 0.31 C ATOM 176 C GLU A 12 11.004 0.178 10.439 1.00 0.33 C ATOM 177 O GLU A 12 12.116 0.367 9.946 1.00 0.50 O ATOM 178 CB GLU A 12 8.549 0.662 10.101 1.00 0.38 C ATOM 179 CG GLU A 12 7.855 0.223 11.385 1.00 0.56 C ATOM 180 CD GLU A 12 6.519 -0.442 11.141 1.00 0.89 C ATOM 181 OE1 GLU A 12 6.500 -1.651 10.840 1.00 1.37 O ATOM 182 OE2 GLU A 12 5.483 0.248 11.233 1.00 1.56 O ATOM 0 H GLU A 12 10.866 1.750 8.529 1.00 0.31 H new ATOM 0 HA GLU A 12 9.883 1.829 11.275 1.00 0.31 H new ATOM 0 HB2 GLU A 12 7.921 1.389 9.587 1.00 0.38 H new ATOM 0 HB3 GLU A 12 8.649 -0.198 9.438 1.00 0.38 H new ATOM 0 HG2 GLU A 12 8.504 -0.467 11.924 1.00 0.56 H new ATOM 0 HG3 GLU A 12 7.710 1.092 12.027 1.00 0.56 H new ATOM 189 N MET A 13 10.674 -0.971 11.034 1.00 0.38 N ATOM 190 CA MET A 13 11.694 -1.966 11.369 1.00 0.46 C ATOM 191 C MET A 13 12.311 -2.633 10.139 1.00 0.40 C ATOM 192 O MET A 13 13.526 -2.828 10.095 1.00 0.49 O ATOM 193 CB MET A 13 11.121 -3.040 12.289 1.00 0.61 C ATOM 194 CG MET A 13 10.639 -2.511 13.631 1.00 0.92 C ATOM 195 SD MET A 13 10.102 -3.825 14.746 1.00 1.76 S ATOM 196 CE MET A 13 8.721 -4.516 13.837 1.00 2.64 C ATOM 0 H MET A 13 9.722 -1.233 11.291 1.00 0.38 H new ATOM 0 HA MET A 13 12.487 -1.420 11.879 1.00 0.46 H new ATOM 0 HB2 MET A 13 10.289 -3.531 11.784 1.00 0.61 H new ATOM 0 HB3 MET A 13 11.883 -3.800 12.462 1.00 0.61 H new ATOM 0 HG2 MET A 13 11.442 -1.945 14.103 1.00 0.92 H new ATOM 0 HG3 MET A 13 9.813 -1.818 13.468 1.00 0.92 H new ATOM 0 HE1 MET A 13 8.118 -5.132 14.504 1.00 2.64 H new ATOM 0 HE2 MET A 13 8.108 -3.708 13.436 1.00 2.64 H new ATOM 0 HE3 MET A 13 9.095 -5.129 13.017 1.00 2.64 H new ATOM 206 N GLU A 14 11.505 -2.979 9.135 1.00 0.30 N ATOM 207 CA GLU A 14 12.058 -3.564 7.917 1.00 0.28 C ATOM 208 C GLU A 14 12.036 -2.577 6.762 1.00 0.31 C ATOM 209 O GLU A 14 12.845 -2.672 5.854 1.00 0.61 O ATOM 210 CB GLU A 14 11.242 -4.788 7.494 1.00 0.33 C ATOM 211 CG GLU A 14 11.560 -5.276 6.087 1.00 0.45 C ATOM 212 CD GLU A 14 12.569 -6.395 6.059 1.00 0.86 C ATOM 213 OE1 GLU A 14 13.466 -6.421 6.925 1.00 1.19 O ATOM 214 OE2 GLU A 14 12.445 -7.268 5.182 1.00 1.33 O ATOM 0 H GLU A 14 10.491 -2.868 9.140 1.00 0.30 H new ATOM 0 HA GLU A 14 13.088 -3.843 8.142 1.00 0.28 H new ATOM 0 HB2 GLU A 14 11.425 -5.598 8.200 1.00 0.33 H new ATOM 0 HB3 GLU A 14 10.181 -4.546 7.554 1.00 0.33 H new ATOM 0 HG2 GLU A 14 10.640 -5.614 5.610 1.00 0.45 H new ATOM 0 HG3 GLU A 14 11.937 -4.441 5.497 1.00 0.45 H new ATOM 221 N THR A 15 11.164 -1.590 6.842 1.00 0.20 N ATOM 222 CA THR A 15 10.875 -0.755 5.688 1.00 0.18 C ATOM 223 C THR A 15 12.047 0.144 5.368 1.00 0.21 C ATOM 224 O THR A 15 12.741 0.619 6.270 1.00 0.30 O ATOM 225 CB THR A 15 9.611 0.092 5.908 1.00 0.23 C ATOM 226 OG1 THR A 15 9.837 1.063 6.926 1.00 1.04 O ATOM 227 CG2 THR A 15 8.450 -0.793 6.313 1.00 0.90 C ATOM 0 H THR A 15 10.646 -1.347 7.686 1.00 0.20 H new ATOM 0 HA THR A 15 10.698 -1.420 4.843 1.00 0.18 H new ATOM 0 HB THR A 15 9.372 0.598 4.973 1.00 0.23 H new ATOM 0 HG1 THR A 15 9.288 1.855 6.750 1.00 1.04 H new ATOM 0 HG21 THR A 15 7.561 -0.180 6.466 1.00 0.90 H new ATOM 0 HG22 THR A 15 8.257 -1.523 5.527 1.00 0.90 H new ATOM 0 HG23 THR A 15 8.695 -1.314 7.239 1.00 0.90 H new ATOM 235 N PRO A 16 12.285 0.403 4.081 1.00 0.21 N ATOM 236 CA PRO A 16 13.375 1.246 3.654 1.00 0.24 C ATOM 237 C PRO A 16 12.912 2.681 3.661 1.00 0.21 C ATOM 238 O PRO A 16 13.285 3.480 2.813 1.00 0.22 O ATOM 239 CB PRO A 16 13.677 0.741 2.247 1.00 0.28 C ATOM 240 CG PRO A 16 12.405 0.131 1.749 1.00 0.26 C ATOM 241 CD PRO A 16 11.472 -0.035 2.933 1.00 0.19 C ATOM 0 HA PRO A 16 14.259 1.209 4.290 1.00 0.24 H new ATOM 0 HB2 PRO A 16 13.999 1.557 1.600 1.00 0.28 H new ATOM 0 HB3 PRO A 16 14.483 0.008 2.260 1.00 0.28 H new ATOM 0 HG2 PRO A 16 11.949 0.767 0.990 1.00 0.26 H new ATOM 0 HG3 PRO A 16 12.602 -0.833 1.281 1.00 0.26 H new ATOM 0 HD2 PRO A 16 10.574 0.572 2.823 1.00 0.19 H new ATOM 0 HD3 PRO A 16 11.146 -1.069 3.044 1.00 0.19 H new ATOM 249 N ARG A 17 12.074 2.975 4.655 1.00 0.21 N ATOM 250 CA ARG A 17 11.376 4.235 4.750 1.00 0.21 C ATOM 251 C ARG A 17 10.456 4.380 3.539 1.00 0.19 C ATOM 252 O ARG A 17 10.651 5.224 2.684 1.00 0.28 O ATOM 253 CB ARG A 17 12.383 5.386 4.851 1.00 0.26 C ATOM 254 CG ARG A 17 11.811 6.672 5.411 1.00 0.39 C ATOM 255 CD ARG A 17 12.902 7.699 5.637 1.00 0.37 C ATOM 256 NE ARG A 17 13.913 7.215 6.579 1.00 1.13 N ATOM 257 CZ ARG A 17 14.990 7.904 6.941 1.00 1.48 C ATOM 258 NH1 ARG A 17 15.218 9.105 6.425 1.00 1.46 N ATOM 259 NH2 ARG A 17 15.839 7.383 7.820 1.00 2.42 N ATOM 0 H ARG A 17 11.866 2.332 5.419 1.00 0.21 H new ATOM 0 HA ARG A 17 10.764 4.266 5.651 1.00 0.21 H new ATOM 0 HB2 ARG A 17 13.216 5.070 5.479 1.00 0.26 H new ATOM 0 HB3 ARG A 17 12.789 5.585 3.859 1.00 0.26 H new ATOM 0 HG2 ARG A 17 11.066 7.073 4.723 1.00 0.39 H new ATOM 0 HG3 ARG A 17 11.299 6.467 6.351 1.00 0.39 H new ATOM 0 HD2 ARG A 17 13.377 7.941 4.686 1.00 0.37 H new ATOM 0 HD3 ARG A 17 12.461 8.621 6.017 1.00 0.37 H new ATOM 0 HE ARG A 17 13.782 6.288 6.984 1.00 1.13 H new ATOM 0 HH11 ARG A 17 14.566 9.502 5.749 1.00 1.46 H new ATOM 0 HH12 ARG A 17 16.046 9.632 6.705 1.00 1.46 H new ATOM 0 HH21 ARG A 17 15.663 6.459 8.213 1.00 2.42 H new ATOM 0 HH22 ARG A 17 16.667 7.907 8.101 1.00 2.42 H new ATOM 273 N LEU A 18 9.456 3.523 3.451 1.00 0.16 N ATOM 274 CA LEU A 18 8.567 3.526 2.298 1.00 0.14 C ATOM 275 C LEU A 18 7.143 3.935 2.654 1.00 0.13 C ATOM 276 O LEU A 18 6.511 3.337 3.527 1.00 0.15 O ATOM 277 CB LEU A 18 8.545 2.158 1.652 1.00 0.19 C ATOM 278 CG LEU A 18 9.417 1.997 0.407 1.00 0.23 C ATOM 279 CD1 LEU A 18 10.790 2.593 0.628 1.00 0.25 C ATOM 280 CD2 LEU A 18 9.519 0.531 0.014 1.00 0.27 C ATOM 0 H LEU A 18 9.238 2.820 4.157 1.00 0.16 H new ATOM 0 HA LEU A 18 8.960 4.267 1.602 1.00 0.14 H new ATOM 0 HB2 LEU A 18 8.861 1.422 2.392 1.00 0.19 H new ATOM 0 HB3 LEU A 18 7.515 1.919 1.385 1.00 0.19 H new ATOM 0 HG LEU A 18 8.945 2.539 -0.413 1.00 0.23 H new ATOM 0 HD11 LEU A 18 11.391 2.466 -0.272 1.00 0.25 H new ATOM 0 HD12 LEU A 18 10.694 3.655 0.853 1.00 0.25 H new ATOM 0 HD13 LEU A 18 11.276 2.088 1.463 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.143 0.435 -0.874 1.00 0.27 H new ATOM 0 HD22 LEU A 18 9.963 -0.035 0.833 1.00 0.27 H new ATOM 0 HD23 LEU A 18 8.524 0.141 -0.198 1.00 0.27 H new ATOM 292 N SER A 19 6.640 4.935 1.937 1.00 0.16 N ATOM 293 CA SER A 19 5.303 5.453 2.166 1.00 0.16 C ATOM 294 C SER A 19 4.485 5.493 0.875 1.00 0.14 C ATOM 295 O SER A 19 4.921 6.037 -0.138 1.00 0.18 O ATOM 296 CB SER A 19 5.411 6.838 2.768 1.00 0.23 C ATOM 297 OG SER A 19 4.163 7.498 2.807 1.00 0.67 O ATOM 0 H SER A 19 7.147 5.404 1.186 1.00 0.16 H new ATOM 0 HA SER A 19 4.782 4.788 2.855 1.00 0.16 H new ATOM 0 HB2 SER A 19 5.813 6.764 3.778 1.00 0.23 H new ATOM 0 HB3 SER A 19 6.117 7.432 2.187 1.00 0.23 H new ATOM 0 HG SER A 19 3.463 6.860 3.058 1.00 0.67 H new ATOM 303 N VAL A 20 3.293 4.940 0.954 1.00 0.14 N ATOM 304 CA VAL A 20 2.399 4.769 -0.180 1.00 0.14 C ATOM 305 C VAL A 20 1.261 5.785 -0.147 1.00 0.13 C ATOM 306 O VAL A 20 0.897 6.302 0.911 1.00 0.14 O ATOM 307 CB VAL A 20 1.788 3.352 -0.175 1.00 0.19 C ATOM 308 CG1 VAL A 20 0.884 3.177 1.019 1.00 0.89 C ATOM 309 CG2 VAL A 20 1.017 3.061 -1.449 1.00 0.85 C ATOM 0 H VAL A 20 2.906 4.587 1.829 1.00 0.14 H new ATOM 0 HA VAL A 20 2.990 4.920 -1.083 1.00 0.14 H new ATOM 0 HB VAL A 20 2.614 2.643 -0.116 1.00 0.19 H new ATOM 0 HG11 VAL A 20 0.460 2.173 1.010 1.00 0.89 H new ATOM 0 HG12 VAL A 20 1.458 3.320 1.934 1.00 0.89 H new ATOM 0 HG13 VAL A 20 0.079 3.911 0.977 1.00 0.89 H new ATOM 0 HG21 VAL A 20 0.604 2.053 -1.402 1.00 0.85 H new ATOM 0 HG22 VAL A 20 0.206 3.781 -1.556 1.00 0.85 H new ATOM 0 HG23 VAL A 20 1.687 3.140 -2.305 1.00 0.85 H new ATOM 319 N ILE A 21 0.706 6.053 -1.316 1.00 0.16 N ATOM 320 CA ILE A 21 -0.461 6.914 -1.439 1.00 0.18 C ATOM 321 C ILE A 21 -1.700 6.043 -1.428 1.00 0.16 C ATOM 322 O ILE A 21 -1.938 5.276 -2.362 1.00 0.20 O ATOM 323 CB ILE A 21 -0.399 7.682 -2.775 1.00 0.28 C ATOM 324 CG1 ILE A 21 1.063 7.960 -3.137 1.00 0.23 C ATOM 325 CG2 ILE A 21 -1.189 8.979 -2.688 1.00 0.50 C ATOM 326 CD1 ILE A 21 1.251 8.649 -4.475 1.00 0.73 C ATOM 0 H ILE A 21 1.048 5.683 -2.203 1.00 0.16 H new ATOM 0 HA ILE A 21 -0.487 7.626 -0.614 1.00 0.18 H new ATOM 0 HB ILE A 21 -0.849 7.071 -3.558 1.00 0.28 H new ATOM 0 HG12 ILE A 21 1.508 8.578 -2.357 1.00 0.23 H new ATOM 0 HG13 ILE A 21 1.609 7.017 -3.147 1.00 0.23 H new ATOM 0 HG21 ILE A 21 -1.132 9.505 -3.641 1.00 0.50 H new ATOM 0 HG22 ILE A 21 -2.231 8.756 -2.459 1.00 0.50 H new ATOM 0 HG23 ILE A 21 -0.771 9.607 -1.901 1.00 0.50 H new ATOM 0 HD11 ILE A 21 2.314 8.809 -4.656 1.00 0.73 H new ATOM 0 HD12 ILE A 21 0.839 8.024 -5.267 1.00 0.73 H new ATOM 0 HD13 ILE A 21 0.736 9.609 -4.465 1.00 0.73 H new ATOM 338 N VAL A 22 -2.484 6.168 -0.365 1.00 0.14 N ATOM 339 CA VAL A 22 -3.718 5.417 -0.233 1.00 0.13 C ATOM 340 C VAL A 22 -4.890 6.343 -0.404 1.00 0.13 C ATOM 341 O VAL A 22 -5.117 7.217 0.429 1.00 0.20 O ATOM 342 CB VAL A 22 -3.844 4.734 1.136 1.00 0.15 C ATOM 343 CG1 VAL A 22 -5.095 3.879 1.181 1.00 0.16 C ATOM 344 CG2 VAL A 22 -2.611 3.910 1.442 1.00 0.20 C ATOM 0 H VAL A 22 -2.282 6.787 0.420 1.00 0.14 H new ATOM 0 HA VAL A 22 -3.706 4.645 -1.003 1.00 0.13 H new ATOM 0 HB VAL A 22 -3.927 5.504 1.903 1.00 0.15 H new ATOM 0 HG11 VAL A 22 -5.173 3.400 2.157 1.00 0.16 H new ATOM 0 HG12 VAL A 22 -5.971 4.506 1.013 1.00 0.16 H new ATOM 0 HG13 VAL A 22 -5.042 3.115 0.405 1.00 0.16 H new ATOM 0 HG21 VAL A 22 -2.723 3.436 2.417 1.00 0.20 H new ATOM 0 HG22 VAL A 22 -2.487 3.143 0.677 1.00 0.20 H new ATOM 0 HG23 VAL A 22 -1.734 4.557 1.452 1.00 0.20 H new ATOM 354 N THR A 23 -5.651 6.134 -1.450 1.00 0.15 N ATOM 355 CA THR A 23 -6.677 7.072 -1.814 1.00 0.18 C ATOM 356 C THR A 23 -8.031 6.396 -2.048 1.00 0.15 C ATOM 357 O THR A 23 -8.117 5.286 -2.562 1.00 0.16 O ATOM 358 CB THR A 23 -6.213 7.870 -3.051 1.00 0.33 C ATOM 359 OG1 THR A 23 -5.185 8.786 -2.668 1.00 1.21 O ATOM 360 CG2 THR A 23 -7.355 8.628 -3.718 1.00 0.87 C ATOM 0 H THR A 23 -5.577 5.322 -2.063 1.00 0.15 H new ATOM 0 HA THR A 23 -6.832 7.758 -0.981 1.00 0.18 H new ATOM 0 HB THR A 23 -5.832 7.154 -3.779 1.00 0.33 H new ATOM 0 HG1 THR A 23 -4.889 9.292 -3.453 1.00 1.21 H new ATOM 0 HG21 THR A 23 -6.975 9.172 -4.582 1.00 0.87 H new ATOM 0 HG22 THR A 23 -8.120 7.922 -4.042 1.00 0.87 H new ATOM 0 HG23 THR A 23 -7.788 9.332 -3.008 1.00 0.87 H new ATOM 368 N HIS A 24 -9.076 7.055 -1.580 1.00 0.20 N ATOM 369 CA HIS A 24 -10.445 6.702 -1.909 1.00 0.24 C ATOM 370 C HIS A 24 -11.130 7.979 -2.358 1.00 0.34 C ATOM 371 O HIS A 24 -11.419 8.836 -1.528 1.00 0.38 O ATOM 372 CB HIS A 24 -11.148 6.119 -0.670 1.00 0.31 C ATOM 373 CG HIS A 24 -12.645 6.013 -0.775 1.00 0.47 C ATOM 374 ND1 HIS A 24 -13.503 6.917 -0.186 1.00 1.20 N ATOM 375 CD2 HIS A 24 -13.432 5.094 -1.382 1.00 1.13 C ATOM 376 CE1 HIS A 24 -14.749 6.556 -0.416 1.00 1.08 C ATOM 377 NE2 HIS A 24 -14.738 5.454 -1.141 1.00 0.96 N ATOM 0 H HIS A 24 -8.997 7.857 -0.955 1.00 0.20 H new ATOM 0 HA HIS A 24 -10.482 5.948 -2.695 1.00 0.24 H new ATOM 0 HB2 HIS A 24 -10.742 5.126 -0.475 1.00 0.31 H new ATOM 0 HB3 HIS A 24 -10.903 6.739 0.193 1.00 0.31 H new ATOM 0 HD2 HIS A 24 -13.097 4.238 -1.949 1.00 1.13 H new ATOM 0 HE1 HIS A 24 -15.631 7.075 -0.069 1.00 1.08 H new ATOM 0 HE2 HIS A 24 -15.563 4.951 -1.469 1.00 0.96 H new ATOM 386 N SER A 25 -11.384 8.088 -3.660 1.00 0.41 N ATOM 387 CA SER A 25 -11.935 9.309 -4.270 1.00 0.55 C ATOM 388 C SER A 25 -10.946 10.490 -4.170 1.00 0.60 C ATOM 389 O SER A 25 -10.635 11.140 -5.169 1.00 0.99 O ATOM 390 CB SER A 25 -13.279 9.678 -3.622 1.00 0.63 C ATOM 391 OG SER A 25 -13.859 10.814 -4.241 1.00 1.17 O ATOM 0 H SER A 25 -11.216 7.335 -4.327 1.00 0.41 H new ATOM 0 HA SER A 25 -12.100 9.103 -5.328 1.00 0.55 H new ATOM 0 HB2 SER A 25 -13.964 8.833 -3.695 1.00 0.63 H new ATOM 0 HB3 SER A 25 -13.130 9.877 -2.561 1.00 0.63 H new ATOM 0 HG SER A 25 -14.713 11.022 -3.808 1.00 1.17 H new ATOM 397 N ASN A 26 -10.435 10.724 -2.967 1.00 0.44 N ATOM 398 CA ASN A 26 -9.570 11.864 -2.668 1.00 0.50 C ATOM 399 C ASN A 26 -8.930 11.668 -1.296 1.00 0.43 C ATOM 400 O ASN A 26 -7.831 12.154 -1.031 1.00 0.47 O ATOM 401 CB ASN A 26 -10.374 13.171 -2.696 1.00 0.65 C ATOM 402 CG ASN A 26 -9.535 14.391 -2.357 1.00 1.42 C ATOM 403 OD1 ASN A 26 -9.449 14.802 -1.197 1.00 2.19 O ATOM 404 ND2 ASN A 26 -8.924 14.989 -3.367 1.00 2.02 N ATOM 0 H ASN A 26 -10.610 10.123 -2.162 1.00 0.44 H new ATOM 0 HA ASN A 26 -8.789 11.927 -3.426 1.00 0.50 H new ATOM 0 HB2 ASN A 26 -10.811 13.301 -3.686 1.00 0.65 H new ATOM 0 HB3 ASN A 26 -11.201 13.098 -1.990 1.00 0.65 H new ATOM 0 HD21 ASN A 26 -8.357 15.821 -3.200 1.00 2.02 H new ATOM 0 HD22 ASN A 26 -9.020 14.618 -4.312 1.00 2.02 H new ATOM 411 N GLU A 27 -9.653 10.953 -0.431 1.00 0.41 N ATOM 412 CA GLU A 27 -9.160 10.560 0.887 1.00 0.42 C ATOM 413 C GLU A 27 -7.803 9.890 0.754 1.00 0.37 C ATOM 414 O GLU A 27 -7.707 8.779 0.234 1.00 0.49 O ATOM 415 CB GLU A 27 -10.142 9.578 1.512 1.00 0.50 C ATOM 416 CG GLU A 27 -10.076 9.456 3.028 1.00 0.58 C ATOM 417 CD GLU A 27 -8.674 9.412 3.586 1.00 1.21 C ATOM 418 OE1 GLU A 27 -8.011 8.366 3.447 1.00 1.58 O ATOM 419 OE2 GLU A 27 -8.227 10.429 4.154 1.00 1.75 O ATOM 0 H GLU A 27 -10.600 10.630 -0.628 1.00 0.41 H new ATOM 0 HA GLU A 27 -9.063 11.446 1.515 1.00 0.42 H new ATOM 0 HB2 GLU A 27 -11.153 9.876 1.233 1.00 0.50 H new ATOM 0 HB3 GLU A 27 -9.969 8.593 1.078 1.00 0.50 H new ATOM 0 HG2 GLU A 27 -10.605 10.299 3.472 1.00 0.58 H new ATOM 0 HG3 GLU A 27 -10.604 8.552 3.332 1.00 0.58 H new ATOM 426 N ARG A 28 -6.772 10.544 1.240 1.00 0.33 N ATOM 427 CA ARG A 28 -5.427 10.021 1.100 1.00 0.33 C ATOM 428 C ARG A 28 -4.696 10.011 2.436 1.00 0.30 C ATOM 429 O ARG A 28 -4.596 11.025 3.123 1.00 0.36 O ATOM 430 CB ARG A 28 -4.651 10.833 0.050 1.00 0.48 C ATOM 431 CG ARG A 28 -3.284 10.261 -0.338 1.00 0.72 C ATOM 432 CD ARG A 28 -2.192 10.631 0.654 1.00 0.76 C ATOM 433 NE ARG A 28 -2.199 12.063 0.961 1.00 1.75 N ATOM 434 CZ ARG A 28 -1.125 12.772 1.301 1.00 2.38 C ATOM 435 NH1 ARG A 28 0.079 12.218 1.298 1.00 2.45 N ATOM 436 NH2 ARG A 28 -1.266 14.048 1.634 1.00 3.31 N ATOM 0 H ARG A 28 -6.836 11.434 1.734 1.00 0.33 H new ATOM 0 HA ARG A 28 -5.494 8.988 0.759 1.00 0.33 H new ATOM 0 HB2 ARG A 28 -5.262 10.912 -0.849 1.00 0.48 H new ATOM 0 HB3 ARG A 28 -4.509 11.845 0.429 1.00 0.48 H new ATOM 0 HG2 ARG A 28 -3.355 9.175 -0.407 1.00 0.72 H new ATOM 0 HG3 ARG A 28 -3.009 10.626 -1.328 1.00 0.72 H new ATOM 0 HD2 ARG A 28 -2.328 10.061 1.573 1.00 0.76 H new ATOM 0 HD3 ARG A 28 -1.221 10.351 0.246 1.00 0.76 H new ATOM 0 HE ARG A 28 -3.092 12.553 0.911 1.00 1.75 H new ATOM 0 HH11 ARG A 28 0.189 11.239 1.033 1.00 2.45 H new ATOM 0 HH12 ARG A 28 0.895 12.771 1.560 1.00 2.45 H new ATOM 0 HH21 ARG A 28 -2.191 14.477 1.628 1.00 3.31 H new ATOM 0 HH22 ARG A 28 -0.449 14.600 1.896 1.00 3.31 H new ATOM 450 N TYR A 29 -4.191 8.842 2.780 1.00 0.28 N ATOM 451 CA TYR A 29 -3.339 8.653 3.942 1.00 0.27 C ATOM 452 C TYR A 29 -2.006 8.108 3.485 1.00 0.25 C ATOM 453 O TYR A 29 -1.964 7.250 2.598 1.00 0.27 O ATOM 454 CB TYR A 29 -3.946 7.665 4.940 1.00 0.34 C ATOM 455 CG TYR A 29 -5.020 8.238 5.835 1.00 0.93 C ATOM 456 CD1 TYR A 29 -4.723 9.213 6.777 1.00 1.30 C ATOM 457 CD2 TYR A 29 -6.324 7.775 5.759 1.00 1.65 C ATOM 458 CE1 TYR A 29 -5.702 9.713 7.615 1.00 1.95 C ATOM 459 CE2 TYR A 29 -7.307 8.274 6.588 1.00 2.31 C ATOM 460 CZ TYR A 29 -6.993 9.239 7.514 1.00 2.36 C ATOM 461 OH TYR A 29 -7.973 9.723 8.348 1.00 3.09 O ATOM 0 H TYR A 29 -4.362 7.985 2.255 1.00 0.28 H new ATOM 0 HA TYR A 29 -3.228 9.618 4.437 1.00 0.27 H new ATOM 0 HB2 TYR A 29 -4.366 6.825 4.387 1.00 0.34 H new ATOM 0 HB3 TYR A 29 -3.147 7.267 5.566 1.00 0.34 H new ATOM 0 HD1 TYR A 29 -3.713 9.586 6.856 1.00 1.30 H new ATOM 0 HD2 TYR A 29 -6.575 7.011 5.038 1.00 1.65 H new ATOM 0 HE1 TYR A 29 -5.457 10.471 8.345 1.00 1.95 H new ATOM 0 HE2 TYR A 29 -8.320 7.907 6.509 1.00 2.31 H new ATOM 0 HH TYR A 29 -8.824 9.283 8.142 1.00 3.09 H new ATOM 471 N ASP A 30 -0.924 8.610 4.050 1.00 0.27 N ATOM 472 CA ASP A 30 0.373 8.028 3.767 1.00 0.30 C ATOM 473 C ASP A 30 0.493 6.753 4.577 1.00 0.25 C ATOM 474 O ASP A 30 0.431 6.771 5.809 1.00 0.34 O ATOM 475 CB ASP A 30 1.514 8.985 4.129 1.00 0.50 C ATOM 476 CG ASP A 30 1.493 10.264 3.321 1.00 1.27 C ATOM 477 OD1 ASP A 30 2.008 10.268 2.179 1.00 1.99 O ATOM 478 OD2 ASP A 30 0.968 11.279 3.825 1.00 2.01 O ATOM 0 H ASP A 30 -0.915 9.401 4.693 1.00 0.27 H new ATOM 0 HA ASP A 30 0.452 7.824 2.699 1.00 0.30 H new ATOM 0 HB2 ASP A 30 1.452 9.231 5.189 1.00 0.50 H new ATOM 0 HB3 ASP A 30 2.467 8.480 3.974 1.00 0.50 H new ATOM 483 N LEU A 31 0.646 5.655 3.876 1.00 0.18 N ATOM 484 CA LEU A 31 0.676 4.341 4.487 1.00 0.15 C ATOM 485 C LEU A 31 2.051 3.744 4.261 1.00 0.14 C ATOM 486 O LEU A 31 2.731 4.110 3.314 1.00 0.18 O ATOM 487 CB LEU A 31 -0.431 3.467 3.882 1.00 0.15 C ATOM 488 CG LEU A 31 -1.285 2.674 4.869 1.00 0.14 C ATOM 489 CD1 LEU A 31 -0.493 1.514 5.450 1.00 0.17 C ATOM 490 CD2 LEU A 31 -1.775 3.587 5.981 1.00 0.16 C ATOM 0 H LEU A 31 0.754 5.644 2.862 1.00 0.18 H new ATOM 0 HA LEU A 31 0.493 4.404 5.560 1.00 0.15 H new ATOM 0 HB2 LEU A 31 -1.091 4.108 3.297 1.00 0.15 H new ATOM 0 HB3 LEU A 31 0.029 2.765 3.187 1.00 0.15 H new ATOM 0 HG LEU A 31 -2.146 2.269 4.338 1.00 0.14 H new ATOM 0 HD11 LEU A 31 -1.119 0.961 6.151 1.00 0.17 H new ATOM 0 HD12 LEU A 31 -0.176 0.851 4.645 1.00 0.17 H new ATOM 0 HD13 LEU A 31 0.384 1.897 5.971 1.00 0.17 H new ATOM 0 HD21 LEU A 31 -2.383 3.014 6.681 1.00 0.16 H new ATOM 0 HD22 LEU A 31 -0.920 4.011 6.507 1.00 0.16 H new ATOM 0 HD23 LEU A 31 -2.374 4.391 5.554 1.00 0.16 H new ATOM 502 N LEU A 32 2.488 2.864 5.126 1.00 0.15 N ATOM 503 CA LEU A 32 3.851 2.387 5.054 1.00 0.16 C ATOM 504 C LEU A 32 3.892 0.962 4.517 1.00 0.14 C ATOM 505 O LEU A 32 3.082 0.122 4.911 1.00 0.14 O ATOM 506 CB LEU A 32 4.515 2.540 6.433 1.00 0.19 C ATOM 507 CG LEU A 32 5.660 1.579 6.767 1.00 0.22 C ATOM 508 CD1 LEU A 32 6.653 2.263 7.685 1.00 0.52 C ATOM 509 CD2 LEU A 32 5.130 0.322 7.443 1.00 0.73 C ATOM 0 H LEU A 32 1.930 2.465 5.881 1.00 0.15 H new ATOM 0 HA LEU A 32 4.426 2.988 4.349 1.00 0.16 H new ATOM 0 HB2 LEU A 32 4.894 3.559 6.515 1.00 0.19 H new ATOM 0 HB3 LEU A 32 3.744 2.425 7.194 1.00 0.19 H new ATOM 0 HG LEU A 32 6.153 1.296 5.837 1.00 0.22 H new ATOM 0 HD11 LEU A 32 7.465 1.575 7.919 1.00 0.52 H new ATOM 0 HD12 LEU A 32 7.057 3.146 7.191 1.00 0.52 H new ATOM 0 HD13 LEU A 32 6.152 2.560 8.606 1.00 0.52 H new ATOM 0 HD21 LEU A 32 5.960 -0.346 7.671 1.00 0.73 H new ATOM 0 HD22 LEU A 32 4.619 0.594 8.366 1.00 0.73 H new ATOM 0 HD23 LEU A 32 4.431 -0.183 6.776 1.00 0.73 H new ATOM 521 N VAL A 33 4.860 0.709 3.631 1.00 0.14 N ATOM 522 CA VAL A 33 4.981 -0.575 2.940 1.00 0.14 C ATOM 523 C VAL A 33 5.258 -1.668 3.956 1.00 0.14 C ATOM 524 O VAL A 33 5.914 -1.425 4.963 1.00 0.15 O ATOM 525 CB VAL A 33 6.104 -0.544 1.847 1.00 0.17 C ATOM 526 CG1 VAL A 33 7.086 -1.702 1.991 1.00 0.98 C ATOM 527 CG2 VAL A 33 5.473 -0.565 0.468 1.00 1.15 C ATOM 0 H VAL A 33 5.578 1.386 3.374 1.00 0.14 H new ATOM 0 HA VAL A 33 4.041 -0.779 2.428 1.00 0.14 H new ATOM 0 HB VAL A 33 6.671 0.377 1.983 1.00 0.17 H new ATOM 0 HG11 VAL A 33 7.844 -1.635 1.211 1.00 0.98 H new ATOM 0 HG12 VAL A 33 7.566 -1.653 2.968 1.00 0.98 H new ATOM 0 HG13 VAL A 33 6.551 -2.647 1.897 1.00 0.98 H new ATOM 0 HG21 VAL A 33 6.255 -0.543 -0.291 1.00 1.15 H new ATOM 0 HG22 VAL A 33 4.881 -1.473 0.353 1.00 1.15 H new ATOM 0 HG23 VAL A 33 4.829 0.306 0.349 1.00 1.15 H new ATOM 537 N THR A 34 4.775 -2.871 3.690 1.00 0.14 N ATOM 538 CA THR A 34 4.644 -3.857 4.732 1.00 0.17 C ATOM 539 C THR A 34 5.965 -4.560 4.970 1.00 0.17 C ATOM 540 O THR A 34 6.511 -5.235 4.093 1.00 0.18 O ATOM 541 CB THR A 34 3.554 -4.882 4.381 1.00 0.19 C ATOM 542 OG1 THR A 34 2.342 -4.192 4.050 1.00 0.21 O ATOM 543 CG2 THR A 34 3.297 -5.829 5.544 1.00 0.23 C ATOM 0 H THR A 34 4.471 -3.180 2.766 1.00 0.14 H new ATOM 0 HA THR A 34 4.352 -3.343 5.648 1.00 0.17 H new ATOM 0 HB THR A 34 3.895 -5.470 3.529 1.00 0.19 H new ATOM 0 HG1 THR A 34 2.492 -3.626 3.264 1.00 0.21 H new ATOM 0 HG21 THR A 34 2.521 -6.543 5.267 1.00 0.23 H new ATOM 0 HG22 THR A 34 4.214 -6.365 5.786 1.00 0.23 H new ATOM 0 HG23 THR A 34 2.971 -5.258 6.413 1.00 0.23 H new ATOM 551 N PRO A 35 6.492 -4.370 6.186 1.00 0.18 N ATOM 552 CA PRO A 35 7.798 -4.866 6.591 1.00 0.20 C ATOM 553 C PRO A 35 7.829 -6.384 6.711 1.00 0.23 C ATOM 554 O PRO A 35 6.782 -7.031 6.768 1.00 0.35 O ATOM 555 CB PRO A 35 8.034 -4.194 7.943 1.00 0.27 C ATOM 556 CG PRO A 35 6.669 -3.981 8.486 1.00 0.32 C ATOM 557 CD PRO A 35 5.814 -3.661 7.295 1.00 0.22 C ATOM 0 HA PRO A 35 8.571 -4.635 5.858 1.00 0.20 H new ATOM 0 HB2 PRO A 35 8.631 -4.824 8.602 1.00 0.27 H new ATOM 0 HB3 PRO A 35 8.570 -3.251 7.831 1.00 0.27 H new ATOM 0 HG2 PRO A 35 6.308 -4.871 9.002 1.00 0.32 H new ATOM 0 HG3 PRO A 35 6.656 -3.166 9.210 1.00 0.32 H new ATOM 0 HD2 PRO A 35 4.790 -4.011 7.429 1.00 0.22 H new ATOM 0 HD3 PRO A 35 5.763 -2.587 7.114 1.00 0.22 H new ATOM 565 N GLN A 36 9.046 -6.923 6.718 1.00 0.26 N ATOM 566 CA GLN A 36 9.302 -8.362 6.713 1.00 0.29 C ATOM 567 C GLN A 36 9.131 -8.929 5.304 1.00 0.30 C ATOM 568 O GLN A 36 8.209 -9.700 5.036 1.00 0.73 O ATOM 569 CB GLN A 36 8.414 -9.110 7.719 1.00 0.42 C ATOM 570 CG GLN A 36 8.548 -8.599 9.145 1.00 0.59 C ATOM 571 CD GLN A 36 7.601 -9.290 10.105 1.00 0.98 C ATOM 572 OE1 GLN A 36 7.268 -10.462 9.934 1.00 1.69 O ATOM 573 NE2 GLN A 36 7.140 -8.561 11.109 1.00 1.72 N ATOM 0 H GLN A 36 9.898 -6.362 6.727 1.00 0.26 H new ATOM 0 HA GLN A 36 10.335 -8.513 7.028 1.00 0.29 H new ATOM 0 HB2 GLN A 36 7.373 -9.024 7.407 1.00 0.42 H new ATOM 0 HB3 GLN A 36 8.667 -10.170 7.696 1.00 0.42 H new ATOM 0 HG2 GLN A 36 9.573 -8.745 9.484 1.00 0.59 H new ATOM 0 HG3 GLN A 36 8.357 -7.526 9.162 1.00 0.59 H new ATOM 0 HE21 GLN A 36 7.441 -7.592 11.216 1.00 1.72 H new ATOM 0 HE22 GLN A 36 6.484 -8.968 11.776 1.00 1.72 H new ATOM 582 N GLN A 37 10.028 -8.524 4.411 1.00 0.33 N ATOM 583 CA GLN A 37 10.068 -9.026 3.040 1.00 0.26 C ATOM 584 C GLN A 37 11.491 -8.909 2.531 1.00 0.30 C ATOM 585 O GLN A 37 12.283 -9.849 2.579 1.00 0.74 O ATOM 586 CB GLN A 37 9.164 -8.221 2.087 1.00 0.23 C ATOM 587 CG GLN A 37 8.229 -9.086 1.251 1.00 0.26 C ATOM 588 CD GLN A 37 8.937 -10.280 0.632 1.00 0.44 C ATOM 589 OE1 GLN A 37 8.981 -11.369 1.212 1.00 1.02 O ATOM 590 NE2 GLN A 37 9.497 -10.079 -0.548 1.00 1.42 N ATOM 0 H GLN A 37 10.751 -7.835 4.618 1.00 0.33 H new ATOM 0 HA GLN A 37 9.713 -10.057 3.057 1.00 0.26 H new ATOM 0 HB2 GLN A 37 8.569 -7.519 2.671 1.00 0.23 H new ATOM 0 HB3 GLN A 37 9.791 -7.629 1.420 1.00 0.23 H new ATOM 0 HG2 GLN A 37 7.409 -9.438 1.877 1.00 0.26 H new ATOM 0 HG3 GLN A 37 7.788 -8.479 0.460 1.00 0.26 H new ATOM 0 HE21 GLN A 37 9.436 -9.163 -0.992 1.00 1.42 H new ATOM 0 HE22 GLN A 37 9.990 -10.840 -1.015 1.00 1.42 H new ATOM 599 N GLY A 38 11.779 -7.724 2.039 1.00 0.43 N ATOM 600 CA GLY A 38 13.114 -7.337 1.671 1.00 0.34 C ATOM 601 C GLY A 38 13.168 -5.839 1.613 1.00 0.38 C ATOM 602 O GLY A 38 14.003 -5.266 0.919 1.00 0.83 O ATOM 0 H GLY A 38 11.081 -6.997 1.883 1.00 0.43 H new ATOM 0 HA2 GLY A 38 13.833 -7.716 2.397 1.00 0.34 H new ATOM 0 HA3 GLY A 38 13.381 -7.765 0.705 1.00 0.34 H new ATOM 606 N ASN A 39 12.236 -5.235 2.376 1.00 0.27 N ATOM 607 CA ASN A 39 11.910 -3.794 2.376 1.00 0.22 C ATOM 608 C ASN A 39 11.575 -3.216 0.998 1.00 0.21 C ATOM 609 O ASN A 39 10.694 -2.366 0.891 1.00 0.27 O ATOM 610 CB ASN A 39 12.970 -2.934 3.084 1.00 0.29 C ATOM 611 CG ASN A 39 14.372 -3.022 2.508 1.00 0.40 C ATOM 612 OD1 ASN A 39 14.695 -2.362 1.519 1.00 1.06 O ATOM 613 ND2 ASN A 39 15.228 -3.805 3.152 1.00 1.11 N ATOM 0 H ASN A 39 11.665 -5.760 3.038 1.00 0.27 H new ATOM 0 HA ASN A 39 10.991 -3.743 2.960 1.00 0.22 H new ATOM 0 HB2 ASN A 39 12.648 -1.893 3.054 1.00 0.29 H new ATOM 0 HB3 ASN A 39 13.008 -3.226 4.134 1.00 0.29 H new ATOM 0 HD21 ASN A 39 16.194 -3.877 2.832 1.00 1.11 H new ATOM 0 HD22 ASN A 39 14.920 -4.335 3.967 1.00 1.11 H new ATOM 620 N SER A 40 12.233 -3.678 -0.042 1.00 0.24 N ATOM 621 CA SER A 40 12.063 -3.103 -1.360 1.00 0.32 C ATOM 622 C SER A 40 10.856 -3.710 -2.065 1.00 0.32 C ATOM 623 O SER A 40 10.170 -3.030 -2.818 1.00 0.50 O ATOM 624 CB SER A 40 13.332 -3.318 -2.182 1.00 0.40 C ATOM 625 OG SER A 40 14.475 -2.855 -1.473 1.00 1.42 O ATOM 0 H SER A 40 12.894 -4.454 -0.001 1.00 0.24 H new ATOM 0 HA SER A 40 11.884 -2.033 -1.256 1.00 0.32 H new ATOM 0 HB2 SER A 40 13.446 -4.377 -2.414 1.00 0.40 H new ATOM 0 HB3 SER A 40 13.249 -2.791 -3.132 1.00 0.40 H new ATOM 0 HG SER A 40 14.228 -2.664 -0.544 1.00 1.42 H new ATOM 631 N GLU A 41 10.568 -4.971 -1.785 1.00 0.24 N ATOM 632 CA GLU A 41 9.503 -5.671 -2.458 1.00 0.31 C ATOM 633 C GLU A 41 8.557 -6.229 -1.414 1.00 0.26 C ATOM 634 O GLU A 41 8.794 -7.285 -0.847 1.00 0.30 O ATOM 635 CB GLU A 41 10.045 -6.776 -3.389 1.00 0.45 C ATOM 636 CG GLU A 41 10.962 -7.802 -2.725 1.00 1.12 C ATOM 637 CD GLU A 41 12.324 -7.247 -2.367 1.00 1.32 C ATOM 638 OE1 GLU A 41 13.228 -7.277 -3.223 1.00 1.66 O ATOM 639 OE2 GLU A 41 12.498 -6.770 -1.229 1.00 1.83 O ATOM 0 H GLU A 41 11.065 -5.528 -1.090 1.00 0.24 H new ATOM 0 HA GLU A 41 8.962 -4.976 -3.100 1.00 0.31 H new ATOM 0 HB2 GLU A 41 9.199 -7.302 -3.831 1.00 0.45 H new ATOM 0 HB3 GLU A 41 10.589 -6.304 -4.207 1.00 0.45 H new ATOM 0 HG2 GLU A 41 10.481 -8.177 -1.821 1.00 1.12 H new ATOM 0 HG3 GLU A 41 11.089 -8.652 -3.395 1.00 1.12 H new ATOM 646 N PRO A 42 7.493 -5.479 -1.133 1.00 0.22 N ATOM 647 CA PRO A 42 6.530 -5.784 -0.068 1.00 0.21 C ATOM 648 C PRO A 42 5.826 -7.124 -0.258 1.00 0.20 C ATOM 649 O PRO A 42 5.896 -7.735 -1.317 1.00 0.20 O ATOM 650 CB PRO A 42 5.517 -4.645 -0.154 1.00 0.23 C ATOM 651 CG PRO A 42 6.203 -3.562 -0.903 1.00 0.26 C ATOM 652 CD PRO A 42 7.141 -4.245 -1.847 1.00 0.24 C ATOM 0 HA PRO A 42 7.029 -5.864 0.897 1.00 0.21 H new ATOM 0 HB2 PRO A 42 4.610 -4.964 -0.667 1.00 0.23 H new ATOM 0 HB3 PRO A 42 5.219 -4.308 0.839 1.00 0.23 H new ATOM 0 HG2 PRO A 42 5.485 -2.946 -1.444 1.00 0.26 H new ATOM 0 HG3 PRO A 42 6.744 -2.901 -0.226 1.00 0.26 H new ATOM 0 HD2 PRO A 42 6.666 -4.455 -2.805 1.00 0.24 H new ATOM 0 HD3 PRO A 42 8.020 -3.634 -2.054 1.00 0.24 H new ATOM 660 N VAL A 43 5.177 -7.593 0.795 1.00 0.21 N ATOM 661 CA VAL A 43 4.497 -8.879 0.755 1.00 0.22 C ATOM 662 C VAL A 43 3.181 -8.776 -0.002 1.00 0.19 C ATOM 663 O VAL A 43 2.643 -7.688 -0.164 1.00 0.17 O ATOM 664 CB VAL A 43 4.199 -9.423 2.169 1.00 0.26 C ATOM 665 CG1 VAL A 43 5.479 -9.720 2.928 1.00 0.32 C ATOM 666 CG2 VAL A 43 3.332 -8.454 2.958 1.00 0.24 C ATOM 0 H VAL A 43 5.106 -7.104 1.687 1.00 0.21 H new ATOM 0 HA VAL A 43 5.173 -9.565 0.245 1.00 0.22 H new ATOM 0 HB VAL A 43 3.650 -10.357 2.048 1.00 0.26 H new ATOM 0 HG11 VAL A 43 5.234 -10.101 3.919 1.00 0.32 H new ATOM 0 HG12 VAL A 43 6.059 -10.466 2.385 1.00 0.32 H new ATOM 0 HG13 VAL A 43 6.065 -8.806 3.025 1.00 0.32 H new ATOM 0 HG21 VAL A 43 3.138 -8.863 3.949 1.00 0.24 H new ATOM 0 HG22 VAL A 43 3.849 -7.499 3.054 1.00 0.24 H new ATOM 0 HG23 VAL A 43 2.387 -8.304 2.436 1.00 0.24 H new ATOM 676 N VAL A 44 2.646 -9.922 -0.410 1.00 0.22 N ATOM 677 CA VAL A 44 1.354 -9.998 -1.107 1.00 0.22 C ATOM 678 C VAL A 44 0.269 -9.255 -0.332 1.00 0.20 C ATOM 679 O VAL A 44 -0.702 -8.774 -0.897 1.00 0.25 O ATOM 680 CB VAL A 44 0.931 -11.461 -1.323 1.00 0.27 C ATOM 681 CG1 VAL A 44 1.557 -12.018 -2.590 1.00 0.36 C ATOM 682 CG2 VAL A 44 1.330 -12.307 -0.126 1.00 0.36 C ATOM 0 H VAL A 44 3.092 -10.829 -0.270 1.00 0.22 H new ATOM 0 HA VAL A 44 1.478 -9.521 -2.079 1.00 0.22 H new ATOM 0 HB VAL A 44 -0.153 -11.492 -1.431 1.00 0.27 H new ATOM 0 HG11 VAL A 44 1.245 -13.054 -2.725 1.00 0.36 H new ATOM 0 HG12 VAL A 44 1.232 -11.427 -3.446 1.00 0.36 H new ATOM 0 HG13 VAL A 44 2.643 -11.973 -2.509 1.00 0.36 H new ATOM 0 HG21 VAL A 44 1.024 -13.340 -0.292 1.00 0.36 H new ATOM 0 HG22 VAL A 44 2.411 -12.265 0.005 1.00 0.36 H new ATOM 0 HG23 VAL A 44 0.841 -11.924 0.770 1.00 0.36 H new ATOM 692 N GLN A 45 0.438 -9.214 0.976 1.00 0.19 N ATOM 693 CA GLN A 45 -0.488 -8.529 1.873 1.00 0.19 C ATOM 694 C GLN A 45 -0.469 -7.012 1.665 1.00 0.16 C ATOM 695 O GLN A 45 -1.498 -6.366 1.806 1.00 0.19 O ATOM 696 CB GLN A 45 -0.142 -8.824 3.333 1.00 0.25 C ATOM 697 CG GLN A 45 -0.155 -10.298 3.696 1.00 0.62 C ATOM 698 CD GLN A 45 0.253 -10.536 5.139 1.00 0.89 C ATOM 699 OE1 GLN A 45 0.816 -11.577 5.475 1.00 1.66 O ATOM 700 NE2 GLN A 45 -0.027 -9.570 6.001 1.00 1.44 N ATOM 0 H GLN A 45 1.224 -9.656 1.454 1.00 0.19 H new ATOM 0 HA GLN A 45 -1.484 -8.904 1.640 1.00 0.19 H new ATOM 0 HB2 GLN A 45 0.846 -8.418 3.548 1.00 0.25 H new ATOM 0 HB3 GLN A 45 -0.849 -8.298 3.975 1.00 0.25 H new ATOM 0 HG2 GLN A 45 -1.154 -10.702 3.531 1.00 0.62 H new ATOM 0 HG3 GLN A 45 0.521 -10.839 3.035 1.00 0.62 H new ATOM 0 HE21 GLN A 45 -0.495 -8.722 5.682 1.00 1.44 H new ATOM 0 HE22 GLN A 45 0.226 -9.674 6.984 1.00 1.44 H new ATOM 709 N ASP A 46 0.693 -6.467 1.304 1.00 0.15 N ATOM 710 CA ASP A 46 0.982 -5.030 1.421 1.00 0.14 C ATOM 711 C ASP A 46 -0.022 -4.145 0.698 1.00 0.14 C ATOM 712 O ASP A 46 -0.535 -3.194 1.280 1.00 0.15 O ATOM 713 CB ASP A 46 2.376 -4.747 0.865 1.00 0.17 C ATOM 714 CG ASP A 46 2.625 -3.274 0.629 1.00 0.14 C ATOM 715 OD1 ASP A 46 3.038 -2.577 1.590 1.00 0.16 O ATOM 716 OD2 ASP A 46 2.394 -2.813 -0.503 1.00 0.17 O ATOM 0 H ASP A 46 1.467 -7.009 0.920 1.00 0.15 H new ATOM 0 HA ASP A 46 0.917 -4.787 2.482 1.00 0.14 H new ATOM 0 HB2 ASP A 46 3.124 -5.131 1.559 1.00 0.17 H new ATOM 0 HB3 ASP A 46 2.505 -5.287 -0.073 1.00 0.17 H new ATOM 721 N LEU A 47 -0.323 -4.450 -0.547 1.00 0.18 N ATOM 722 CA LEU A 47 -1.191 -3.607 -1.324 1.00 0.22 C ATOM 723 C LEU A 47 -2.570 -3.497 -0.665 1.00 0.19 C ATOM 724 O LEU A 47 -3.166 -2.418 -0.617 1.00 0.22 O ATOM 725 CB LEU A 47 -1.285 -4.173 -2.735 1.00 0.28 C ATOM 726 CG LEU A 47 -2.363 -5.224 -2.969 1.00 0.62 C ATOM 727 CD1 LEU A 47 -2.524 -5.462 -4.446 1.00 1.07 C ATOM 728 CD2 LEU A 47 -2.012 -6.522 -2.270 1.00 1.01 C ATOM 0 H LEU A 47 0.023 -5.275 -1.037 1.00 0.18 H new ATOM 0 HA LEU A 47 -0.783 -2.597 -1.374 1.00 0.22 H new ATOM 0 HB2 LEU A 47 -1.457 -3.347 -3.425 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -0.320 -4.609 -2.994 1.00 0.28 H new ATOM 0 HG LEU A 47 -3.302 -4.857 -2.555 1.00 0.62 H new ATOM 0 HD11 LEU A 47 -3.295 -6.214 -4.611 1.00 1.07 H new ATOM 0 HD12 LEU A 47 -2.813 -4.532 -4.935 1.00 1.07 H new ATOM 0 HD13 LEU A 47 -1.580 -5.813 -4.863 1.00 1.07 H new ATOM 0 HD21 LEU A 47 -2.796 -7.257 -2.452 1.00 1.01 H new ATOM 0 HD22 LEU A 47 -1.065 -6.899 -2.657 1.00 1.01 H new ATOM 0 HD23 LEU A 47 -1.922 -6.345 -1.198 1.00 1.01 H new ATOM 740 N ALA A 48 -3.052 -4.617 -0.139 1.00 0.18 N ATOM 741 CA ALA A 48 -4.291 -4.649 0.614 1.00 0.17 C ATOM 742 C ALA A 48 -4.109 -3.930 1.935 1.00 0.14 C ATOM 743 O ALA A 48 -4.982 -3.199 2.390 1.00 0.16 O ATOM 744 CB ALA A 48 -4.719 -6.090 0.857 1.00 0.19 C ATOM 0 H ALA A 48 -2.593 -5.524 -0.225 1.00 0.18 H new ATOM 0 HA ALA A 48 -5.068 -4.145 0.040 1.00 0.17 H new ATOM 0 HB1 ALA A 48 -5.650 -6.102 1.423 1.00 0.19 H new ATOM 0 HB2 ALA A 48 -4.869 -6.591 -0.099 1.00 0.19 H new ATOM 0 HB3 ALA A 48 -3.944 -6.609 1.421 1.00 0.19 H new ATOM 750 N GLN A 49 -2.936 -4.135 2.508 1.00 0.13 N ATOM 751 CA GLN A 49 -2.593 -3.634 3.822 1.00 0.13 C ATOM 752 C GLN A 49 -2.622 -2.127 3.854 1.00 0.12 C ATOM 753 O GLN A 49 -3.201 -1.522 4.741 1.00 0.13 O ATOM 754 CB GLN A 49 -1.179 -4.091 4.170 1.00 0.15 C ATOM 755 CG GLN A 49 -0.617 -3.492 5.447 1.00 0.20 C ATOM 756 CD GLN A 49 -0.934 -4.326 6.674 1.00 0.33 C ATOM 757 OE1 GLN A 49 -1.070 -5.546 6.593 1.00 0.94 O ATOM 758 NE2 GLN A 49 -1.049 -3.677 7.825 1.00 1.35 N ATOM 0 H GLN A 49 -2.185 -4.663 2.064 1.00 0.13 H new ATOM 0 HA GLN A 49 -3.321 -4.018 4.537 1.00 0.13 H new ATOM 0 HB2 GLN A 49 -1.175 -5.177 4.261 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -0.516 -3.838 3.343 1.00 0.15 H new ATOM 0 HG2 GLN A 49 0.464 -3.391 5.351 1.00 0.20 H new ATOM 0 HG3 GLN A 49 -1.020 -2.488 5.581 1.00 0.20 H new ATOM 0 HE21 GLN A 49 -0.930 -2.664 7.854 1.00 1.35 H new ATOM 0 HE22 GLN A 49 -1.257 -4.190 8.681 1.00 1.35 H new ATOM 767 N LEU A 50 -1.983 -1.546 2.872 1.00 0.12 N ATOM 768 CA LEU A 50 -1.847 -0.106 2.783 1.00 0.12 C ATOM 769 C LEU A 50 -3.213 0.575 2.706 1.00 0.12 C ATOM 770 O LEU A 50 -3.554 1.441 3.520 1.00 0.13 O ATOM 771 CB LEU A 50 -1.042 0.218 1.531 1.00 0.12 C ATOM 772 CG LEU A 50 0.385 -0.347 1.491 1.00 0.11 C ATOM 773 CD1 LEU A 50 1.002 -0.139 0.118 1.00 0.12 C ATOM 774 CD2 LEU A 50 1.242 0.296 2.558 1.00 0.13 C ATOM 0 H LEU A 50 -1.539 -2.055 2.107 1.00 0.12 H new ATOM 0 HA LEU A 50 -1.342 0.263 3.675 1.00 0.12 H new ATOM 0 HB2 LEU A 50 -1.586 -0.158 0.664 1.00 0.12 H new ATOM 0 HB3 LEU A 50 -0.987 1.302 1.427 1.00 0.12 H new ATOM 0 HG LEU A 50 0.335 -1.418 1.689 1.00 0.11 H new ATOM 0 HD11 LEU A 50 2.013 -0.546 0.108 1.00 0.12 H new ATOM 0 HD12 LEU A 50 0.399 -0.649 -0.633 1.00 0.12 H new ATOM 0 HD13 LEU A 50 1.037 0.927 -0.107 1.00 0.12 H new ATOM 0 HD21 LEU A 50 2.250 -0.118 2.514 1.00 0.13 H new ATOM 0 HD22 LEU A 50 1.284 1.372 2.391 1.00 0.13 H new ATOM 0 HD23 LEU A 50 0.811 0.097 3.539 1.00 0.13 H new ATOM 786 N VAL A 51 -4.011 0.127 1.757 1.00 0.11 N ATOM 787 CA VAL A 51 -5.336 0.673 1.537 1.00 0.10 C ATOM 788 C VAL A 51 -6.231 0.418 2.756 1.00 0.10 C ATOM 789 O VAL A 51 -7.062 1.255 3.117 1.00 0.10 O ATOM 790 CB VAL A 51 -5.914 0.060 0.262 1.00 0.11 C ATOM 791 CG1 VAL A 51 -7.101 -0.840 0.531 1.00 0.21 C ATOM 792 CG2 VAL A 51 -6.261 1.156 -0.718 1.00 0.18 C ATOM 0 H VAL A 51 -3.759 -0.626 1.117 1.00 0.11 H new ATOM 0 HA VAL A 51 -5.281 1.754 1.408 1.00 0.10 H new ATOM 0 HB VAL A 51 -5.148 -0.581 -0.176 1.00 0.11 H new ATOM 0 HG11 VAL A 51 -7.470 -1.247 -0.411 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -6.797 -1.657 1.185 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -7.892 -0.265 1.012 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -6.673 0.715 -1.626 1.00 0.18 H new ATOM 0 HG22 VAL A 51 -6.998 1.823 -0.272 1.00 0.18 H new ATOM 0 HG23 VAL A 51 -5.362 1.722 -0.965 1.00 0.18 H new ATOM 802 N GLU A 52 -6.012 -0.729 3.401 1.00 0.11 N ATOM 803 CA GLU A 52 -6.754 -1.116 4.595 1.00 0.12 C ATOM 804 C GLU A 52 -6.333 -0.286 5.804 1.00 0.13 C ATOM 805 O GLU A 52 -7.169 0.270 6.518 1.00 0.16 O ATOM 806 CB GLU A 52 -6.517 -2.604 4.888 1.00 0.17 C ATOM 807 CG GLU A 52 -6.850 -3.014 6.313 1.00 0.50 C ATOM 808 CD GLU A 52 -6.665 -4.493 6.563 1.00 0.53 C ATOM 809 OE1 GLU A 52 -5.519 -4.913 6.828 1.00 0.74 O ATOM 810 OE2 GLU A 52 -7.667 -5.239 6.532 1.00 0.74 O ATOM 0 H GLU A 52 -5.315 -1.413 3.108 1.00 0.11 H new ATOM 0 HA GLU A 52 -7.813 -0.936 4.410 1.00 0.12 H new ATOM 0 HB2 GLU A 52 -7.117 -3.199 4.200 1.00 0.17 H new ATOM 0 HB3 GLU A 52 -5.472 -2.841 4.687 1.00 0.17 H new ATOM 0 HG2 GLU A 52 -6.219 -2.453 7.003 1.00 0.50 H new ATOM 0 HG3 GLU A 52 -7.882 -2.741 6.531 1.00 0.50 H new ATOM 817 N GLU A 53 -5.028 -0.187 6.008 1.00 0.13 N ATOM 818 CA GLU A 53 -4.469 0.405 7.213 1.00 0.15 C ATOM 819 C GLU A 53 -4.693 1.907 7.239 1.00 0.16 C ATOM 820 O GLU A 53 -4.692 2.520 8.307 1.00 0.19 O ATOM 821 CB GLU A 53 -2.976 0.077 7.318 1.00 0.19 C ATOM 822 CG GLU A 53 -2.315 0.575 8.594 1.00 0.24 C ATOM 823 CD GLU A 53 -0.885 0.101 8.728 1.00 0.84 C ATOM 824 OE1 GLU A 53 -0.673 -1.109 8.945 1.00 1.32 O ATOM 825 OE2 GLU A 53 0.038 0.936 8.610 1.00 1.51 O ATOM 0 H GLU A 53 -4.327 -0.515 5.343 1.00 0.13 H new ATOM 0 HA GLU A 53 -4.982 -0.022 8.075 1.00 0.15 H new ATOM 0 HB2 GLU A 53 -2.848 -1.004 7.254 1.00 0.19 H new ATOM 0 HB3 GLU A 53 -2.459 0.511 6.462 1.00 0.19 H new ATOM 0 HG2 GLU A 53 -2.336 1.665 8.609 1.00 0.24 H new ATOM 0 HG3 GLU A 53 -2.890 0.233 9.455 1.00 0.24 H new ATOM 832 N ALA A 54 -4.897 2.499 6.066 1.00 0.16 N ATOM 833 CA ALA A 54 -5.121 3.933 5.984 1.00 0.18 C ATOM 834 C ALA A 54 -6.315 4.358 6.836 1.00 0.21 C ATOM 835 O ALA A 54 -6.204 5.271 7.651 1.00 0.30 O ATOM 836 CB ALA A 54 -5.336 4.348 4.540 1.00 0.24 C ATOM 0 H ALA A 54 -4.911 2.012 5.170 1.00 0.16 H new ATOM 0 HA ALA A 54 -4.234 4.434 6.372 1.00 0.18 H new ATOM 0 HB1 ALA A 54 -5.503 5.424 4.492 1.00 0.24 H new ATOM 0 HB2 ALA A 54 -4.455 4.091 3.952 1.00 0.24 H new ATOM 0 HB3 ALA A 54 -6.205 3.828 4.137 1.00 0.24 H new ATOM 842 N THR A 55 -7.442 3.684 6.676 1.00 0.25 N ATOM 843 CA THR A 55 -8.628 4.025 7.451 1.00 0.33 C ATOM 844 C THR A 55 -8.974 2.951 8.480 1.00 0.29 C ATOM 845 O THR A 55 -9.938 3.095 9.236 1.00 0.39 O ATOM 846 CB THR A 55 -9.831 4.270 6.530 1.00 0.51 C ATOM 847 OG1 THR A 55 -9.700 3.471 5.348 1.00 1.14 O ATOM 848 CG2 THR A 55 -9.931 5.741 6.157 1.00 1.66 C ATOM 0 H THR A 55 -7.563 2.907 6.026 1.00 0.25 H new ATOM 0 HA THR A 55 -8.396 4.943 7.992 1.00 0.33 H new ATOM 0 HB THR A 55 -10.742 3.989 7.059 1.00 0.51 H new ATOM 0 HG1 THR A 55 -9.012 3.857 4.767 1.00 1.14 H new ATOM 0 HG21 THR A 55 -10.790 5.893 5.504 1.00 1.66 H new ATOM 0 HG22 THR A 55 -10.052 6.338 7.061 1.00 1.66 H new ATOM 0 HG23 THR A 55 -9.022 6.047 5.639 1.00 1.66 H new ATOM 856 N GLY A 56 -8.194 1.877 8.507 1.00 0.25 N ATOM 857 CA GLY A 56 -8.409 0.834 9.491 1.00 0.26 C ATOM 858 C GLY A 56 -9.588 -0.057 9.147 1.00 0.29 C ATOM 859 O GLY A 56 -10.150 -0.718 10.020 1.00 0.34 O ATOM 0 H GLY A 56 -7.418 1.710 7.866 1.00 0.25 H new ATOM 0 HA2 GLY A 56 -7.509 0.225 9.572 1.00 0.26 H new ATOM 0 HA3 GLY A 56 -8.575 1.289 10.467 1.00 0.26 H new ATOM 863 N VAL A 57 -9.976 -0.060 7.880 1.00 0.30 N ATOM 864 CA VAL A 57 -11.128 -0.834 7.438 1.00 0.36 C ATOM 865 C VAL A 57 -10.709 -2.174 6.847 1.00 0.29 C ATOM 866 O VAL A 57 -9.641 -2.299 6.264 1.00 0.26 O ATOM 867 CB VAL A 57 -11.979 -0.057 6.415 1.00 0.50 C ATOM 868 CG1 VAL A 57 -12.805 0.998 7.121 1.00 1.62 C ATOM 869 CG2 VAL A 57 -11.108 0.580 5.346 1.00 1.33 C ATOM 0 H VAL A 57 -9.510 0.465 7.140 1.00 0.30 H new ATOM 0 HA VAL A 57 -11.736 -1.019 8.324 1.00 0.36 H new ATOM 0 HB VAL A 57 -12.648 -0.763 5.923 1.00 0.50 H new ATOM 0 HG11 VAL A 57 -13.403 1.542 6.390 1.00 1.62 H new ATOM 0 HG12 VAL A 57 -13.464 0.519 7.845 1.00 1.62 H new ATOM 0 HG13 VAL A 57 -12.143 1.693 7.637 1.00 1.62 H new ATOM 0 HG21 VAL A 57 -11.737 1.121 4.639 1.00 1.33 H new ATOM 0 HG22 VAL A 57 -10.408 1.273 5.812 1.00 1.33 H new ATOM 0 HG23 VAL A 57 -10.554 -0.196 4.818 1.00 1.33 H new ATOM 879 N PRO A 58 -11.574 -3.185 7.000 1.00 0.32 N ATOM 880 CA PRO A 58 -11.303 -4.570 6.589 1.00 0.34 C ATOM 881 C PRO A 58 -11.188 -4.750 5.087 1.00 0.31 C ATOM 882 O PRO A 58 -11.759 -3.966 4.326 1.00 0.27 O ATOM 883 CB PRO A 58 -12.525 -5.332 7.078 1.00 0.39 C ATOM 884 CG PRO A 58 -13.596 -4.302 7.098 1.00 0.39 C ATOM 885 CD PRO A 58 -12.923 -3.052 7.575 1.00 0.37 C ATOM 0 HA PRO A 58 -10.350 -4.907 6.996 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -12.775 -6.158 6.412 1.00 0.39 H new ATOM 0 HB3 PRO A 58 -12.361 -5.759 8.067 1.00 0.39 H new ATOM 0 HG2 PRO A 58 -14.029 -4.164 6.107 1.00 0.39 H new ATOM 0 HG3 PRO A 58 -14.409 -4.591 7.764 1.00 0.39 H new ATOM 0 HD2 PRO A 58 -13.430 -2.155 7.219 1.00 0.37 H new ATOM 0 HD3 PRO A 58 -12.898 -2.993 8.663 1.00 0.37 H new ATOM 893 N LEU A 59 -10.490 -5.799 4.670 1.00 0.35 N ATOM 894 CA LEU A 59 -10.260 -6.071 3.251 1.00 0.36 C ATOM 895 C LEU A 59 -11.534 -5.935 2.390 1.00 0.36 C ATOM 896 O LEU A 59 -11.483 -5.299 1.338 1.00 0.37 O ATOM 897 CB LEU A 59 -9.671 -7.476 3.079 1.00 0.45 C ATOM 898 CG LEU A 59 -8.344 -7.722 3.804 1.00 1.21 C ATOM 899 CD1 LEU A 59 -7.855 -9.139 3.551 1.00 1.79 C ATOM 900 CD2 LEU A 59 -7.299 -6.709 3.364 1.00 2.08 C ATOM 0 H LEU A 59 -10.069 -6.483 5.299 1.00 0.35 H new ATOM 0 HA LEU A 59 -9.557 -5.316 2.899 1.00 0.36 H new ATOM 0 HB2 LEU A 59 -10.401 -8.204 3.434 1.00 0.45 H new ATOM 0 HB3 LEU A 59 -9.525 -7.663 2.015 1.00 0.45 H new ATOM 0 HG LEU A 59 -8.509 -7.601 4.875 1.00 1.21 H new ATOM 0 HD11 LEU A 59 -6.911 -9.297 4.073 1.00 1.79 H new ATOM 0 HD12 LEU A 59 -8.596 -9.850 3.917 1.00 1.79 H new ATOM 0 HD13 LEU A 59 -7.707 -9.287 2.481 1.00 1.79 H new ATOM 0 HD21 LEU A 59 -6.363 -6.900 3.890 1.00 2.08 H new ATOM 0 HD22 LEU A 59 -7.136 -6.797 2.290 1.00 2.08 H new ATOM 0 HD23 LEU A 59 -7.647 -5.703 3.597 1.00 2.08 H new ATOM 912 N PRO A 60 -12.701 -6.488 2.811 1.00 0.38 N ATOM 913 CA PRO A 60 -13.927 -6.448 1.998 1.00 0.41 C ATOM 914 C PRO A 60 -14.520 -5.044 1.855 1.00 0.38 C ATOM 915 O PRO A 60 -15.288 -4.781 0.929 1.00 0.46 O ATOM 916 CB PRO A 60 -14.897 -7.364 2.756 1.00 0.47 C ATOM 917 CG PRO A 60 -14.038 -8.134 3.691 1.00 0.52 C ATOM 918 CD PRO A 60 -12.954 -7.186 4.081 1.00 0.42 C ATOM 0 HA PRO A 60 -13.727 -6.763 0.974 1.00 0.41 H new ATOM 0 HB2 PRO A 60 -15.648 -6.786 3.294 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -15.431 -8.025 2.074 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -14.602 -8.469 4.561 1.00 0.52 H new ATOM 0 HG3 PRO A 60 -13.631 -9.025 3.212 1.00 0.52 H new ATOM 0 HD2 PRO A 60 -13.271 -6.502 4.868 1.00 0.42 H new ATOM 0 HD3 PRO A 60 -12.068 -7.705 4.447 1.00 0.42 H new ATOM 926 N PHE A 61 -14.157 -4.140 2.762 1.00 0.33 N ATOM 927 CA PHE A 61 -14.730 -2.797 2.762 1.00 0.34 C ATOM 928 C PHE A 61 -14.084 -1.918 1.707 1.00 0.28 C ATOM 929 O PHE A 61 -14.666 -0.923 1.271 1.00 0.31 O ATOM 930 CB PHE A 61 -14.566 -2.144 4.131 1.00 0.37 C ATOM 931 CG PHE A 61 -15.812 -2.182 4.969 1.00 0.44 C ATOM 932 CD1 PHE A 61 -16.322 -3.387 5.427 1.00 0.45 C ATOM 933 CD2 PHE A 61 -16.471 -1.011 5.303 1.00 0.66 C ATOM 934 CE1 PHE A 61 -17.464 -3.422 6.202 1.00 0.56 C ATOM 935 CE2 PHE A 61 -17.614 -1.040 6.078 1.00 0.77 C ATOM 936 CZ PHE A 61 -18.110 -2.247 6.527 1.00 0.68 C ATOM 0 H PHE A 61 -13.474 -4.311 3.500 1.00 0.33 H new ATOM 0 HA PHE A 61 -15.790 -2.897 2.530 1.00 0.34 H new ATOM 0 HB2 PHE A 61 -13.761 -2.645 4.669 1.00 0.37 H new ATOM 0 HB3 PHE A 61 -14.261 -1.106 3.995 1.00 0.37 H new ATOM 0 HD1 PHE A 61 -15.820 -4.309 5.175 1.00 0.45 H new ATOM 0 HD2 PHE A 61 -16.087 -0.064 4.954 1.00 0.66 H new ATOM 0 HE1 PHE A 61 -17.851 -4.367 6.553 1.00 0.56 H new ATOM 0 HE2 PHE A 61 -18.119 -0.120 6.332 1.00 0.77 H new ATOM 0 HZ PHE A 61 -19.004 -2.272 7.133 1.00 0.68 H new ATOM 946 N GLN A 62 -12.904 -2.300 1.271 1.00 0.22 N ATOM 947 CA GLN A 62 -12.221 -1.553 0.240 1.00 0.19 C ATOM 948 C GLN A 62 -11.998 -2.422 -0.982 1.00 0.19 C ATOM 949 O GLN A 62 -11.907 -3.643 -0.880 1.00 0.33 O ATOM 950 CB GLN A 62 -10.872 -1.019 0.717 1.00 0.19 C ATOM 951 CG GLN A 62 -9.957 -2.068 1.312 1.00 0.25 C ATOM 952 CD GLN A 62 -9.598 -1.763 2.744 1.00 0.40 C ATOM 953 OE1 GLN A 62 -9.516 -0.606 3.135 1.00 0.96 O ATOM 954 NE2 GLN A 62 -9.387 -2.797 3.533 1.00 0.29 N ATOM 0 H GLN A 62 -12.400 -3.119 1.612 1.00 0.22 H new ATOM 0 HA GLN A 62 -12.859 -0.706 -0.011 1.00 0.19 H new ATOM 0 HB2 GLN A 62 -10.364 -0.547 -0.124 1.00 0.19 H new ATOM 0 HB3 GLN A 62 -11.046 -0.242 1.461 1.00 0.19 H new ATOM 0 HG2 GLN A 62 -10.442 -3.043 1.260 1.00 0.25 H new ATOM 0 HG3 GLN A 62 -9.046 -2.133 0.717 1.00 0.25 H new ATOM 0 HE21 GLN A 62 -9.466 -3.745 3.164 1.00 0.29 H new ATOM 0 HE22 GLN A 62 -9.144 -2.650 4.513 1.00 0.29 H new ATOM 963 N LYS A 63 -11.927 -1.800 -2.136 1.00 0.19 N ATOM 964 CA LYS A 63 -11.440 -2.479 -3.313 1.00 0.18 C ATOM 965 C LYS A 63 -10.199 -1.767 -3.793 1.00 0.13 C ATOM 966 O LYS A 63 -10.269 -0.793 -4.542 1.00 0.14 O ATOM 967 CB LYS A 63 -12.499 -2.542 -4.411 1.00 0.26 C ATOM 968 CG LYS A 63 -12.046 -3.338 -5.625 1.00 1.14 C ATOM 969 CD LYS A 63 -13.209 -3.705 -6.527 1.00 1.68 C ATOM 970 CE LYS A 63 -12.742 -4.499 -7.736 1.00 2.52 C ATOM 971 NZ LYS A 63 -13.876 -5.108 -8.477 1.00 3.15 N ATOM 0 H LYS A 63 -12.199 -0.828 -2.284 1.00 0.19 H new ATOM 0 HA LYS A 63 -11.201 -3.512 -3.059 1.00 0.18 H new ATOM 0 HB2 LYS A 63 -13.407 -2.990 -4.008 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -12.754 -1.529 -4.722 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -11.318 -2.756 -6.190 1.00 1.14 H new ATOM 0 HG3 LYS A 63 -11.541 -4.246 -5.296 1.00 1.14 H new ATOM 0 HD2 LYS A 63 -13.937 -4.289 -5.965 1.00 1.68 H new ATOM 0 HD3 LYS A 63 -13.715 -2.798 -6.858 1.00 1.68 H new ATOM 0 HE2 LYS A 63 -12.182 -3.845 -8.405 1.00 2.52 H new ATOM 0 HE3 LYS A 63 -12.058 -5.284 -7.412 1.00 2.52 H new ATOM 0 HZ1 LYS A 63 -13.512 -5.640 -9.293 1.00 3.15 H new ATOM 0 HZ2 LYS A 63 -14.396 -5.753 -7.848 1.00 3.15 H new ATOM 0 HZ3 LYS A 63 -14.516 -4.359 -8.810 1.00 3.15 H new ATOM 985 N LEU A 64 -9.065 -2.258 -3.336 1.00 0.12 N ATOM 986 CA LEU A 64 -7.799 -1.632 -3.601 1.00 0.10 C ATOM 987 C LEU A 64 -7.338 -1.988 -4.997 1.00 0.12 C ATOM 988 O LEU A 64 -7.177 -3.167 -5.338 1.00 0.14 O ATOM 989 CB LEU A 64 -6.779 -2.068 -2.530 1.00 0.11 C ATOM 990 CG LEU A 64 -5.302 -1.732 -2.786 1.00 0.13 C ATOM 991 CD1 LEU A 64 -4.628 -2.790 -3.639 1.00 0.48 C ATOM 992 CD2 LEU A 64 -5.164 -0.380 -3.446 1.00 0.51 C ATOM 0 H LEU A 64 -9.002 -3.104 -2.770 1.00 0.12 H new ATOM 0 HA LEU A 64 -7.896 -0.547 -3.551 1.00 0.10 H new ATOM 0 HB2 LEU A 64 -7.069 -1.613 -1.583 1.00 0.11 H new ATOM 0 HB3 LEU A 64 -6.863 -3.147 -2.404 1.00 0.11 H new ATOM 0 HG LEU A 64 -4.806 -1.707 -1.816 1.00 0.13 H new ATOM 0 HD11 LEU A 64 -3.585 -2.518 -3.799 1.00 0.48 H new ATOM 0 HD12 LEU A 64 -4.678 -3.753 -3.131 1.00 0.48 H new ATOM 0 HD13 LEU A 64 -5.136 -2.860 -4.601 1.00 0.48 H new ATOM 0 HD21 LEU A 64 -4.109 -0.165 -3.617 1.00 0.51 H new ATOM 0 HD22 LEU A 64 -5.693 -0.385 -4.399 1.00 0.51 H new ATOM 0 HD23 LEU A 64 -5.590 0.386 -2.799 1.00 0.51 H new ATOM 1004 N ILE A 65 -7.180 -0.946 -5.791 1.00 0.12 N ATOM 1005 CA ILE A 65 -6.622 -1.035 -7.116 1.00 0.14 C ATOM 1006 C ILE A 65 -5.445 -0.082 -7.212 1.00 0.15 C ATOM 1007 O ILE A 65 -5.613 1.134 -7.130 1.00 0.16 O ATOM 1008 CB ILE A 65 -7.672 -0.575 -8.128 1.00 0.16 C ATOM 1009 CG1 ILE A 65 -8.969 -1.377 -7.966 1.00 0.17 C ATOM 1010 CG2 ILE A 65 -7.139 -0.670 -9.554 1.00 0.20 C ATOM 1011 CD1 ILE A 65 -8.846 -2.833 -8.365 1.00 1.20 C ATOM 0 H ILE A 65 -7.443 0.002 -5.522 1.00 0.12 H new ATOM 0 HA ILE A 65 -6.313 -2.061 -7.318 1.00 0.14 H new ATOM 0 HB ILE A 65 -7.897 0.473 -7.930 1.00 0.16 H new ATOM 0 HG12 ILE A 65 -9.291 -1.322 -6.926 1.00 0.17 H new ATOM 0 HG13 ILE A 65 -9.750 -0.911 -8.567 1.00 0.17 H new ATOM 0 HG21 ILE A 65 -7.907 -0.337 -10.252 1.00 0.20 H new ATOM 0 HG22 ILE A 65 -6.257 -0.038 -9.656 1.00 0.20 H new ATOM 0 HG23 ILE A 65 -6.872 -1.704 -9.775 1.00 0.20 H new ATOM 0 HD11 ILE A 65 -9.805 -3.332 -8.222 1.00 1.20 H new ATOM 0 HD12 ILE A 65 -8.555 -2.900 -9.413 1.00 1.20 H new ATOM 0 HD13 ILE A 65 -8.089 -3.317 -7.747 1.00 1.20 H new ATOM 1023 N PHE A 66 -4.256 -0.622 -7.284 1.00 0.17 N ATOM 1024 CA PHE A 66 -3.084 0.167 -7.581 1.00 0.18 C ATOM 1025 C PHE A 66 -1.910 -0.716 -7.908 1.00 0.20 C ATOM 1026 O PHE A 66 -1.887 -1.874 -7.497 1.00 0.20 O ATOM 1027 CB PHE A 66 -2.750 1.217 -6.552 1.00 0.19 C ATOM 1028 CG PHE A 66 -2.660 2.584 -7.187 1.00 0.23 C ATOM 1029 CD1 PHE A 66 -1.792 2.828 -8.237 1.00 0.45 C ATOM 1030 CD2 PHE A 66 -3.427 3.635 -6.704 1.00 0.25 C ATOM 1031 CE1 PHE A 66 -1.694 4.087 -8.798 1.00 0.51 C ATOM 1032 CE2 PHE A 66 -3.334 4.895 -7.262 1.00 0.28 C ATOM 1033 CZ PHE A 66 -2.524 5.082 -8.403 1.00 0.36 C ATOM 0 H PHE A 66 -4.071 -1.615 -7.140 1.00 0.17 H new ATOM 0 HA PHE A 66 -3.335 0.746 -8.470 1.00 0.18 H new ATOM 0 HB2 PHE A 66 -3.512 1.223 -5.772 1.00 0.19 H new ATOM 0 HB3 PHE A 66 -1.803 0.972 -6.071 1.00 0.19 H new ATOM 0 HD1 PHE A 66 -1.183 2.024 -8.623 1.00 0.45 H new ATOM 0 HD2 PHE A 66 -4.105 3.465 -5.881 1.00 0.25 H new ATOM 0 HE1 PHE A 66 -0.950 4.279 -9.557 1.00 0.51 H new ATOM 0 HE2 PHE A 66 -3.873 5.726 -6.831 1.00 0.28 H new ATOM 0 HZ PHE A 66 -2.566 6.009 -8.955 1.00 0.36 H new ATOM 1043 N LYS A 67 -1.004 -0.207 -8.729 1.00 0.22 N ATOM 1044 CA LYS A 67 0.228 -0.903 -9.114 1.00 0.25 C ATOM 1045 C LYS A 67 -0.103 -2.137 -9.925 1.00 0.28 C ATOM 1046 O LYS A 67 0.629 -3.127 -9.906 1.00 0.32 O ATOM 1047 CB LYS A 67 1.150 -1.296 -7.910 1.00 0.25 C ATOM 1048 CG LYS A 67 0.566 -1.240 -6.480 1.00 0.18 C ATOM 1049 CD LYS A 67 1.573 -1.780 -5.454 1.00 0.21 C ATOM 1050 CE LYS A 67 0.996 -1.889 -4.042 1.00 0.18 C ATOM 1051 NZ LYS A 67 2.050 -1.756 -2.983 1.00 0.19 N ATOM 0 H LYS A 67 -1.099 0.714 -9.156 1.00 0.22 H new ATOM 0 HA LYS A 67 0.795 -0.189 -9.711 1.00 0.25 H new ATOM 0 HB2 LYS A 67 1.505 -2.312 -8.083 1.00 0.25 H new ATOM 0 HB3 LYS A 67 2.024 -0.645 -7.936 1.00 0.25 H new ATOM 0 HG2 LYS A 67 0.303 -0.212 -6.231 1.00 0.18 H new ATOM 0 HG3 LYS A 67 -0.353 -1.824 -6.435 1.00 0.18 H new ATOM 0 HD2 LYS A 67 1.917 -2.763 -5.775 1.00 0.21 H new ATOM 0 HD3 LYS A 67 2.446 -1.127 -5.433 1.00 0.21 H new ATOM 0 HE2 LYS A 67 0.242 -1.115 -3.900 1.00 0.18 H new ATOM 0 HE3 LYS A 67 0.492 -2.849 -3.931 1.00 0.18 H new ATOM 0 HZ1 LYS A 67 1.772 -2.307 -2.146 1.00 0.19 H new ATOM 0 HZ2 LYS A 67 2.956 -2.114 -3.348 1.00 0.19 H new ATOM 0 HZ3 LYS A 67 2.154 -0.755 -2.720 1.00 0.19 H new ATOM 1065 N GLY A 68 -1.201 -2.044 -10.667 1.00 0.31 N ATOM 1066 CA GLY A 68 -1.686 -3.163 -11.448 1.00 0.38 C ATOM 1067 C GLY A 68 -2.065 -4.329 -10.574 1.00 0.38 C ATOM 1068 O GLY A 68 -2.241 -5.455 -11.046 1.00 0.47 O ATOM 0 H GLY A 68 -1.770 -1.200 -10.740 1.00 0.31 H new ATOM 0 HA2 GLY A 68 -2.551 -2.851 -12.033 1.00 0.38 H new ATOM 0 HA3 GLY A 68 -0.917 -3.473 -12.156 1.00 0.38 H new ATOM 1072 N LYS A 69 -2.189 -4.055 -9.292 1.00 0.30 N ATOM 1073 CA LYS A 69 -2.490 -5.078 -8.321 1.00 0.33 C ATOM 1074 C LYS A 69 -3.741 -4.715 -7.535 1.00 0.24 C ATOM 1075 O LYS A 69 -4.030 -3.538 -7.306 1.00 0.23 O ATOM 1076 CB LYS A 69 -1.296 -5.254 -7.390 1.00 0.41 C ATOM 1077 CG LYS A 69 -0.002 -5.569 -8.116 1.00 0.62 C ATOM 1078 CD LYS A 69 1.189 -5.477 -7.183 1.00 0.58 C ATOM 1079 CE LYS A 69 1.134 -6.548 -6.115 1.00 0.44 C ATOM 1080 NZ LYS A 69 1.271 -7.901 -6.686 1.00 1.21 N ATOM 0 H LYS A 69 -2.084 -3.120 -8.898 1.00 0.30 H new ATOM 0 HA LYS A 69 -2.682 -6.020 -8.835 1.00 0.33 H new ATOM 0 HB2 LYS A 69 -1.163 -4.343 -6.807 1.00 0.41 H new ATOM 0 HB3 LYS A 69 -1.511 -6.056 -6.684 1.00 0.41 H new ATOM 0 HG2 LYS A 69 -0.056 -6.571 -8.542 1.00 0.62 H new ATOM 0 HG3 LYS A 69 0.130 -4.876 -8.947 1.00 0.62 H new ATOM 0 HD2 LYS A 69 2.111 -5.578 -7.756 1.00 0.58 H new ATOM 0 HD3 LYS A 69 1.211 -4.493 -6.714 1.00 0.58 H new ATOM 0 HE2 LYS A 69 1.929 -6.378 -5.389 1.00 0.44 H new ATOM 0 HE3 LYS A 69 0.189 -6.475 -5.576 1.00 0.44 H new ATOM 0 HZ1 LYS A 69 1.466 -8.581 -5.924 1.00 1.21 H new ATOM 0 HZ2 LYS A 69 0.388 -8.165 -7.169 1.00 1.21 H new ATOM 0 HZ3 LYS A 69 2.055 -7.912 -7.369 1.00 1.21 H new ATOM 1094 N SER A 70 -4.486 -5.724 -7.144 1.00 0.23 N ATOM 1095 CA SER A 70 -5.729 -5.519 -6.423 1.00 0.21 C ATOM 1096 C SER A 70 -5.672 -6.227 -5.074 1.00 0.23 C ATOM 1097 O SER A 70 -5.082 -7.296 -4.962 1.00 0.31 O ATOM 1098 CB SER A 70 -6.909 -6.021 -7.259 1.00 0.24 C ATOM 1099 OG SER A 70 -8.151 -5.638 -6.681 1.00 1.27 O ATOM 0 H SER A 70 -4.253 -6.703 -7.313 1.00 0.23 H new ATOM 0 HA SER A 70 -5.869 -4.453 -6.243 1.00 0.21 H new ATOM 0 HB2 SER A 70 -6.837 -5.621 -8.270 1.00 0.24 H new ATOM 0 HB3 SER A 70 -6.863 -7.107 -7.342 1.00 0.24 H new ATOM 0 HG SER A 70 -8.030 -4.817 -6.159 1.00 1.27 H new ATOM 1105 N LEU A 71 -6.291 -5.643 -4.052 1.00 0.19 N ATOM 1106 CA LEU A 71 -6.176 -6.201 -2.704 1.00 0.21 C ATOM 1107 C LEU A 71 -6.871 -7.547 -2.605 1.00 0.26 C ATOM 1108 O LEU A 71 -7.960 -7.730 -3.145 1.00 0.32 O ATOM 1109 CB LEU A 71 -6.759 -5.267 -1.630 1.00 0.23 C ATOM 1110 CG LEU A 71 -8.216 -5.525 -1.222 1.00 0.31 C ATOM 1111 CD1 LEU A 71 -8.535 -4.785 0.061 1.00 1.34 C ATOM 1112 CD2 LEU A 71 -9.187 -5.112 -2.316 1.00 1.21 C ATOM 0 H LEU A 71 -6.865 -4.803 -4.125 1.00 0.19 H new ATOM 0 HA LEU A 71 -5.108 -6.320 -2.520 1.00 0.21 H new ATOM 0 HB2 LEU A 71 -6.136 -5.340 -0.739 1.00 0.23 H new ATOM 0 HB3 LEU A 71 -6.681 -4.241 -1.990 1.00 0.23 H new ATOM 0 HG LEU A 71 -8.331 -6.597 -1.062 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -9.571 -4.974 0.342 1.00 1.34 H new ATOM 0 HD12 LEU A 71 -7.874 -5.132 0.855 1.00 1.34 H new ATOM 0 HD13 LEU A 71 -8.390 -3.715 -0.090 1.00 1.34 H new ATOM 0 HD21 LEU A 71 -10.208 -5.310 -1.990 1.00 1.21 H new ATOM 0 HD22 LEU A 71 -9.072 -4.048 -2.522 1.00 1.21 H new ATOM 0 HD23 LEU A 71 -8.978 -5.682 -3.222 1.00 1.21 H new ATOM 1124 N LYS A 72 -6.212 -8.478 -1.931 1.00 0.34 N ATOM 1125 CA LYS A 72 -6.806 -9.746 -1.543 1.00 0.46 C ATOM 1126 C LYS A 72 -5.926 -10.414 -0.493 1.00 0.66 C ATOM 1127 O LYS A 72 -4.921 -9.844 -0.062 1.00 1.33 O ATOM 1128 CB LYS A 72 -6.984 -10.706 -2.737 1.00 0.47 C ATOM 1129 CG LYS A 72 -8.269 -10.532 -3.550 1.00 0.87 C ATOM 1130 CD LYS A 72 -9.530 -10.831 -2.738 1.00 1.37 C ATOM 1131 CE LYS A 72 -9.998 -9.624 -1.938 1.00 2.01 C ATOM 1132 NZ LYS A 72 -11.227 -9.907 -1.149 1.00 2.72 N ATOM 0 H LYS A 72 -5.241 -8.372 -1.636 1.00 0.34 H new ATOM 0 HA LYS A 72 -7.797 -9.532 -1.142 1.00 0.46 H new ATOM 0 HB2 LYS A 72 -6.134 -10.582 -3.407 1.00 0.47 H new ATOM 0 HB3 LYS A 72 -6.949 -11.729 -2.364 1.00 0.47 H new ATOM 0 HG2 LYS A 72 -8.319 -9.511 -3.927 1.00 0.87 H new ATOM 0 HG3 LYS A 72 -8.236 -11.191 -4.418 1.00 0.87 H new ATOM 0 HD2 LYS A 72 -10.326 -11.150 -3.411 1.00 1.37 H new ATOM 0 HD3 LYS A 72 -9.335 -11.661 -2.059 1.00 1.37 H new ATOM 0 HE2 LYS A 72 -9.202 -9.308 -1.264 1.00 2.01 H new ATOM 0 HE3 LYS A 72 -10.189 -8.793 -2.617 1.00 2.01 H new ATOM 0 HZ1 LYS A 72 -11.505 -9.055 -0.622 1.00 2.72 H new ATOM 0 HZ2 LYS A 72 -11.996 -10.183 -1.792 1.00 2.72 H new ATOM 0 HZ3 LYS A 72 -11.040 -10.681 -0.481 1.00 2.72 H new ATOM 1146 N GLU A 73 -6.301 -11.618 -0.092 1.00 0.69 N ATOM 1147 CA GLU A 73 -5.516 -12.385 0.863 1.00 0.83 C ATOM 1148 C GLU A 73 -4.359 -13.080 0.156 1.00 0.82 C ATOM 1149 O GLU A 73 -4.554 -14.113 -0.482 1.00 1.56 O ATOM 1150 CB GLU A 73 -6.395 -13.427 1.551 1.00 1.03 C ATOM 1151 CG GLU A 73 -7.594 -12.836 2.268 1.00 1.62 C ATOM 1152 CD GLU A 73 -8.631 -13.882 2.609 1.00 1.93 C ATOM 1153 OE1 GLU A 73 -9.478 -14.192 1.751 1.00 2.84 O ATOM 1154 OE2 GLU A 73 -8.603 -14.407 3.744 1.00 1.93 O ATOM 0 H GLU A 73 -7.147 -12.087 -0.414 1.00 0.69 H new ATOM 0 HA GLU A 73 -5.118 -11.701 1.613 1.00 0.83 H new ATOM 0 HB2 GLU A 73 -6.744 -14.143 0.807 1.00 1.03 H new ATOM 0 HB3 GLU A 73 -5.791 -13.982 2.269 1.00 1.03 H new ATOM 0 HG2 GLU A 73 -7.262 -12.345 3.183 1.00 1.62 H new ATOM 0 HG3 GLU A 73 -8.048 -12.069 1.641 1.00 1.62 H new ATOM 1161 N MET A 74 -3.166 -12.496 0.263 1.00 0.58 N ATOM 1162 CA MET A 74 -1.953 -13.076 -0.320 1.00 0.54 C ATOM 1163 C MET A 74 -2.068 -13.141 -1.845 1.00 0.47 C ATOM 1164 O MET A 74 -1.925 -14.210 -2.441 1.00 0.61 O ATOM 1165 CB MET A 74 -1.701 -14.485 0.246 1.00 0.62 C ATOM 1166 CG MET A 74 -1.679 -14.552 1.768 1.00 1.44 C ATOM 1167 SD MET A 74 -0.195 -13.825 2.492 1.00 1.93 S ATOM 1168 CE MET A 74 1.034 -15.050 2.040 1.00 2.96 C ATOM 0 H MET A 74 -3.012 -11.614 0.752 1.00 0.58 H new ATOM 0 HA MET A 74 -1.111 -12.436 -0.057 1.00 0.54 H new ATOM 0 HB2 MET A 74 -2.475 -15.157 -0.125 1.00 0.62 H new ATOM 0 HB3 MET A 74 -0.749 -14.853 -0.137 1.00 0.62 H new ATOM 0 HG2 MET A 74 -2.556 -14.037 2.160 1.00 1.44 H new ATOM 0 HG3 MET A 74 -1.755 -15.594 2.080 1.00 1.44 H new ATOM 0 HE1 MET A 74 1.439 -15.509 2.942 1.00 2.96 H new ATOM 0 HE2 MET A 74 0.572 -15.817 1.419 1.00 2.96 H new ATOM 0 HE3 MET A 74 1.839 -14.570 1.484 1.00 2.96 H new ATOM 1178 N GLU A 75 -2.337 -11.996 -2.470 1.00 0.35 N ATOM 1179 CA GLU A 75 -2.639 -11.946 -3.881 1.00 0.33 C ATOM 1180 C GLU A 75 -1.420 -12.165 -4.814 1.00 0.30 C ATOM 1181 O GLU A 75 -0.937 -13.289 -4.936 1.00 0.49 O ATOM 1182 CB GLU A 75 -3.433 -10.659 -4.149 1.00 0.38 C ATOM 1183 CG GLU A 75 -2.727 -9.350 -3.834 1.00 0.92 C ATOM 1184 CD GLU A 75 -2.147 -8.680 -5.059 1.00 1.67 C ATOM 1185 OE1 GLU A 75 -2.876 -8.553 -6.055 1.00 2.03 O ATOM 1186 OE2 GLU A 75 -0.993 -8.206 -5.007 1.00 2.49 O ATOM 0 H GLU A 75 -2.349 -11.087 -2.007 1.00 0.35 H new ATOM 0 HA GLU A 75 -3.259 -12.804 -4.142 1.00 0.33 H new ATOM 0 HB2 GLU A 75 -3.720 -10.648 -5.200 1.00 0.38 H new ATOM 0 HB3 GLU A 75 -4.354 -10.699 -3.567 1.00 0.38 H new ATOM 0 HG2 GLU A 75 -3.431 -8.670 -3.355 1.00 0.92 H new ATOM 0 HG3 GLU A 75 -1.928 -9.538 -3.117 1.00 0.92 H new ATOM 1193 N THR A 76 -0.926 -11.122 -5.468 1.00 0.27 N ATOM 1194 CA THR A 76 0.012 -11.298 -6.584 1.00 0.26 C ATOM 1195 C THR A 76 1.459 -10.900 -6.242 1.00 0.17 C ATOM 1196 O THR A 76 1.683 -10.131 -5.311 1.00 0.18 O ATOM 1197 CB THR A 76 -0.475 -10.590 -7.878 1.00 0.40 C ATOM 1198 OG1 THR A 76 -0.799 -9.212 -7.643 1.00 0.49 O ATOM 1199 CG2 THR A 76 -1.689 -11.305 -8.450 1.00 0.69 C ATOM 0 H THR A 76 -1.153 -10.151 -5.253 1.00 0.27 H new ATOM 0 HA THR A 76 0.028 -12.371 -6.776 1.00 0.26 H new ATOM 0 HB THR A 76 0.345 -10.630 -8.595 1.00 0.40 H new ATOM 0 HG1 THR A 76 -1.744 -9.136 -7.393 1.00 0.49 H new ATOM 0 HG21 THR A 76 -2.017 -10.796 -9.356 1.00 0.69 H new ATOM 0 HG22 THR A 76 -1.426 -12.336 -8.688 1.00 0.69 H new ATOM 0 HG23 THR A 76 -2.495 -11.296 -7.717 1.00 0.69 H new ATOM 1207 N PRO A 77 2.445 -11.470 -6.982 1.00 0.19 N ATOM 1208 CA PRO A 77 3.898 -11.302 -6.805 1.00 0.18 C ATOM 1209 C PRO A 77 4.376 -10.106 -5.966 1.00 0.14 C ATOM 1210 O PRO A 77 4.063 -8.942 -6.239 1.00 0.16 O ATOM 1211 CB PRO A 77 4.344 -11.162 -8.253 1.00 0.30 C ATOM 1212 CG PRO A 77 3.442 -12.089 -9.013 1.00 0.36 C ATOM 1213 CD PRO A 77 2.224 -12.345 -8.141 1.00 0.28 C ATOM 0 HA PRO A 77 4.316 -12.128 -6.230 1.00 0.18 H new ATOM 0 HB2 PRO A 77 4.243 -10.134 -8.602 1.00 0.30 H new ATOM 0 HB3 PRO A 77 5.391 -11.438 -8.375 1.00 0.30 H new ATOM 0 HG2 PRO A 77 3.148 -11.646 -9.964 1.00 0.36 H new ATOM 0 HG3 PRO A 77 3.955 -13.023 -9.242 1.00 0.36 H new ATOM 0 HD2 PRO A 77 1.298 -12.097 -8.661 1.00 0.28 H new ATOM 0 HD3 PRO A 77 2.154 -13.392 -7.846 1.00 0.28 H new ATOM 1221 N LEU A 78 5.171 -10.450 -4.957 1.00 0.14 N ATOM 1222 CA LEU A 78 5.751 -9.515 -3.991 1.00 0.15 C ATOM 1223 C LEU A 78 6.778 -8.567 -4.614 1.00 0.16 C ATOM 1224 O LEU A 78 6.907 -7.420 -4.206 1.00 0.16 O ATOM 1225 CB LEU A 78 6.392 -10.299 -2.844 1.00 0.19 C ATOM 1226 CG LEU A 78 5.418 -11.127 -2.010 1.00 0.19 C ATOM 1227 CD1 LEU A 78 5.025 -12.414 -2.725 1.00 0.22 C ATOM 1228 CD2 LEU A 78 6.007 -11.447 -0.647 1.00 0.24 C ATOM 0 H LEU A 78 5.440 -11.418 -4.781 1.00 0.14 H new ATOM 0 HA LEU A 78 4.938 -8.892 -3.619 1.00 0.15 H new ATOM 0 HB2 LEU A 78 7.151 -10.964 -3.257 1.00 0.19 H new ATOM 0 HB3 LEU A 78 6.906 -9.598 -2.186 1.00 0.19 H new ATOM 0 HG LEU A 78 4.519 -10.527 -1.872 1.00 0.19 H new ATOM 0 HD11 LEU A 78 4.331 -12.979 -2.103 1.00 0.22 H new ATOM 0 HD12 LEU A 78 4.547 -12.172 -3.674 1.00 0.22 H new ATOM 0 HD13 LEU A 78 5.916 -13.014 -2.911 1.00 0.22 H new ATOM 0 HD21 LEU A 78 5.294 -12.038 -0.072 1.00 0.24 H new ATOM 0 HD22 LEU A 78 6.929 -12.014 -0.773 1.00 0.24 H new ATOM 0 HD23 LEU A 78 6.221 -10.519 -0.116 1.00 0.24 H new ATOM 1240 N SER A 79 7.537 -9.054 -5.572 1.00 0.18 N ATOM 1241 CA SER A 79 8.478 -8.207 -6.302 1.00 0.22 C ATOM 1242 C SER A 79 7.738 -7.037 -6.960 1.00 0.22 C ATOM 1243 O SER A 79 8.235 -5.912 -7.020 1.00 0.24 O ATOM 1244 CB SER A 79 9.217 -9.040 -7.351 1.00 0.27 C ATOM 1245 OG SER A 79 10.267 -8.307 -7.962 1.00 1.17 O ATOM 0 H SER A 79 7.527 -10.030 -5.869 1.00 0.18 H new ATOM 0 HA SER A 79 9.208 -7.798 -5.604 1.00 0.22 H new ATOM 0 HB2 SER A 79 9.624 -9.936 -6.883 1.00 0.27 H new ATOM 0 HB3 SER A 79 8.513 -9.371 -8.114 1.00 0.27 H new ATOM 0 HG SER A 79 10.717 -8.871 -8.625 1.00 1.17 H new ATOM 1251 N ALA A 80 6.540 -7.327 -7.440 1.00 0.20 N ATOM 1252 CA ALA A 80 5.671 -6.342 -8.070 1.00 0.22 C ATOM 1253 C ALA A 80 4.942 -5.490 -7.028 1.00 0.18 C ATOM 1254 O ALA A 80 4.164 -4.602 -7.377 1.00 0.19 O ATOM 1255 CB ALA A 80 4.673 -7.028 -8.991 1.00 0.27 C ATOM 0 H ALA A 80 6.137 -8.263 -7.404 1.00 0.20 H new ATOM 0 HA ALA A 80 6.297 -5.675 -8.663 1.00 0.22 H new ATOM 0 HB1 ALA A 80 4.031 -6.279 -9.454 1.00 0.27 H new ATOM 0 HB2 ALA A 80 5.210 -7.575 -9.766 1.00 0.27 H new ATOM 0 HB3 ALA A 80 4.062 -7.722 -8.413 1.00 0.27 H new ATOM 1261 N LEU A 81 5.195 -5.767 -5.752 1.00 0.14 N ATOM 1262 CA LEU A 81 4.381 -5.248 -4.657 1.00 0.13 C ATOM 1263 C LEU A 81 4.594 -3.754 -4.367 1.00 0.12 C ATOM 1264 O LEU A 81 4.227 -3.285 -3.294 1.00 0.11 O ATOM 1265 CB LEU A 81 4.611 -6.060 -3.386 1.00 0.13 C ATOM 1266 CG LEU A 81 3.342 -6.578 -2.697 1.00 0.15 C ATOM 1267 CD1 LEU A 81 2.280 -5.494 -2.587 1.00 0.16 C ATOM 1268 CD2 LEU A 81 2.793 -7.784 -3.435 1.00 0.19 C ATOM 0 H LEU A 81 5.969 -6.357 -5.448 1.00 0.14 H new ATOM 0 HA LEU A 81 3.348 -5.351 -4.988 1.00 0.13 H new ATOM 0 HB2 LEU A 81 5.245 -6.912 -3.630 1.00 0.13 H new ATOM 0 HB3 LEU A 81 5.163 -5.444 -2.677 1.00 0.13 H new ATOM 0 HG LEU A 81 3.615 -6.877 -1.685 1.00 0.15 H new ATOM 0 HD11 LEU A 81 1.396 -5.899 -2.094 1.00 0.16 H new ATOM 0 HD12 LEU A 81 2.671 -4.660 -2.004 1.00 0.16 H new ATOM 0 HD13 LEU A 81 2.011 -5.146 -3.584 1.00 0.16 H new ATOM 0 HD21 LEU A 81 1.893 -8.139 -2.933 1.00 0.19 H new ATOM 0 HD22 LEU A 81 2.550 -7.504 -4.460 1.00 0.19 H new ATOM 0 HD23 LEU A 81 3.541 -8.577 -3.443 1.00 0.19 H new ATOM 1280 N GLY A 82 5.147 -2.982 -5.294 1.00 0.12 N ATOM 1281 CA GLY A 82 5.324 -1.572 -4.994 1.00 0.12 C ATOM 1282 C GLY A 82 6.734 -1.184 -4.642 1.00 0.11 C ATOM 1283 O GLY A 82 6.919 -0.376 -3.735 1.00 0.12 O ATOM 0 H GLY A 82 5.465 -3.289 -6.213 1.00 0.12 H new ATOM 0 HA2 GLY A 82 5.003 -0.987 -5.856 1.00 0.12 H new ATOM 0 HA3 GLY A 82 4.669 -1.304 -4.165 1.00 0.12 H new ATOM 1287 N MET A 83 7.745 -1.768 -5.304 1.00 0.13 N ATOM 1288 CA MET A 83 9.119 -1.362 -5.008 1.00 0.15 C ATOM 1289 C MET A 83 9.367 0.081 -5.477 1.00 0.15 C ATOM 1290 O MET A 83 9.840 0.359 -6.581 1.00 0.19 O ATOM 1291 CB MET A 83 10.126 -2.326 -5.659 1.00 0.20 C ATOM 1292 CG MET A 83 9.981 -2.475 -7.166 1.00 0.49 C ATOM 1293 SD MET A 83 11.176 -3.629 -7.866 1.00 0.97 S ATOM 1294 CE MET A 83 12.711 -2.863 -7.353 1.00 1.79 C ATOM 0 H MET A 83 7.643 -2.491 -6.016 1.00 0.13 H new ATOM 0 HA MET A 83 9.262 -1.402 -3.928 1.00 0.15 H new ATOM 0 HB2 MET A 83 11.135 -1.979 -5.437 1.00 0.20 H new ATOM 0 HB3 MET A 83 10.018 -3.308 -5.198 1.00 0.20 H new ATOM 0 HG2 MET A 83 8.972 -2.817 -7.398 1.00 0.49 H new ATOM 0 HG3 MET A 83 10.104 -1.500 -7.637 1.00 0.49 H new ATOM 0 HE1 MET A 83 13.517 -3.185 -8.013 1.00 1.79 H new ATOM 0 HE2 MET A 83 12.611 -1.779 -7.404 1.00 1.79 H new ATOM 0 HE3 MET A 83 12.941 -3.158 -6.329 1.00 1.79 H new ATOM 1304 N GLN A 84 8.987 0.968 -4.589 1.00 0.14 N ATOM 1305 CA GLN A 84 9.267 2.381 -4.583 1.00 0.15 C ATOM 1306 C GLN A 84 8.877 2.775 -3.186 1.00 0.16 C ATOM 1307 O GLN A 84 8.429 1.887 -2.466 1.00 0.16 O ATOM 1308 CB GLN A 84 8.490 3.152 -5.659 1.00 0.16 C ATOM 1309 CG GLN A 84 7.102 2.604 -5.947 1.00 0.61 C ATOM 1310 CD GLN A 84 6.422 3.314 -7.102 1.00 1.08 C ATOM 1311 OE1 GLN A 84 5.685 4.281 -6.907 1.00 1.79 O ATOM 1312 NE2 GLN A 84 6.670 2.843 -8.314 1.00 1.61 N ATOM 0 H GLN A 84 8.425 0.694 -3.783 1.00 0.14 H new ATOM 0 HA GLN A 84 10.304 2.615 -4.825 1.00 0.15 H new ATOM 0 HB2 GLN A 84 8.399 4.193 -5.348 1.00 0.16 H new ATOM 0 HB3 GLN A 84 9.069 3.145 -6.583 1.00 0.16 H new ATOM 0 HG2 GLN A 84 7.175 1.540 -6.172 1.00 0.61 H new ATOM 0 HG3 GLN A 84 6.485 2.699 -5.053 1.00 0.61 H new ATOM 0 HE21 GLN A 84 7.287 2.039 -8.432 1.00 1.61 H new ATOM 0 HE22 GLN A 84 6.244 3.284 -9.129 1.00 1.61 H new ATOM 1321 N ASN A 85 9.053 4.003 -2.732 1.00 0.17 N ATOM 1322 CA ASN A 85 8.513 4.312 -1.413 1.00 0.17 C ATOM 1323 C ASN A 85 7.027 4.004 -1.446 1.00 0.16 C ATOM 1324 O ASN A 85 6.267 4.750 -2.010 1.00 0.18 O ATOM 1325 CB ASN A 85 8.709 5.797 -1.041 1.00 0.19 C ATOM 1326 CG ASN A 85 8.289 6.749 -2.154 1.00 0.28 C ATOM 1327 OD1 ASN A 85 8.420 6.448 -3.338 1.00 1.22 O ATOM 1328 ND2 ASN A 85 7.784 7.909 -1.784 1.00 0.99 N ATOM 0 H ASN A 85 9.533 4.762 -3.217 1.00 0.17 H new ATOM 0 HA ASN A 85 9.038 3.716 -0.667 1.00 0.17 H new ATOM 0 HB2 ASN A 85 8.133 6.020 -0.143 1.00 0.19 H new ATOM 0 HB3 ASN A 85 9.758 5.970 -0.799 1.00 0.19 H new ATOM 0 HD21 ASN A 85 7.490 8.585 -2.489 1.00 0.99 H new ATOM 0 HD22 ASN A 85 7.688 8.130 -0.793 1.00 0.99 H new ATOM 1335 N GLY A 86 6.648 2.914 -0.799 1.00 0.15 N ATOM 1336 CA GLY A 86 5.261 2.480 -0.671 1.00 0.14 C ATOM 1337 C GLY A 86 4.471 2.296 -1.979 1.00 0.12 C ATOM 1338 O GLY A 86 3.549 1.479 -2.018 1.00 0.13 O ATOM 0 H GLY A 86 7.309 2.290 -0.337 1.00 0.15 H new ATOM 0 HA2 GLY A 86 5.249 1.534 -0.130 1.00 0.14 H new ATOM 0 HA3 GLY A 86 4.733 3.207 -0.054 1.00 0.14 H new ATOM 1342 N CYS A 87 4.840 3.022 -3.040 1.00 0.11 N ATOM 1343 CA CYS A 87 4.106 3.036 -4.303 1.00 0.12 C ATOM 1344 C CYS A 87 2.756 3.735 -4.132 1.00 0.12 C ATOM 1345 O CYS A 87 2.618 4.682 -3.348 1.00 0.17 O ATOM 1346 CB CYS A 87 3.896 1.618 -4.803 1.00 0.23 C ATOM 1347 SG CYS A 87 3.472 1.486 -6.559 1.00 0.94 S ATOM 0 H CYS A 87 5.665 3.621 -3.043 1.00 0.11 H new ATOM 0 HA CYS A 87 4.694 3.588 -5.037 1.00 0.12 H new ATOM 0 HB2 CYS A 87 4.805 1.045 -4.619 1.00 0.23 H new ATOM 0 HB3 CYS A 87 3.103 1.155 -4.216 1.00 0.23 H new ATOM 0 HG CYS A 87 4.249 0.613 -7.129 1.00 0.94 H new ATOM 1353 N ARG A 88 1.764 3.286 -4.880 1.00 0.12 N ATOM 1354 CA ARG A 88 0.426 3.831 -4.771 1.00 0.13 C ATOM 1355 C ARG A 88 -0.564 2.690 -4.579 1.00 0.12 C ATOM 1356 O ARG A 88 -0.328 1.588 -5.066 1.00 0.15 O ATOM 1357 CB ARG A 88 0.059 4.645 -6.019 1.00 0.19 C ATOM 1358 CG ARG A 88 1.106 5.670 -6.434 1.00 0.82 C ATOM 1359 CD ARG A 88 2.130 5.078 -7.394 1.00 0.41 C ATOM 1360 NE ARG A 88 1.643 5.046 -8.771 1.00 0.90 N ATOM 1361 CZ ARG A 88 2.339 4.545 -9.790 1.00 1.29 C ATOM 1362 NH1 ARG A 88 3.555 4.048 -9.586 1.00 1.26 N ATOM 1363 NH2 ARG A 88 1.823 4.552 -11.014 1.00 2.07 N ATOM 0 H ARG A 88 1.862 2.543 -5.571 1.00 0.12 H new ATOM 0 HA ARG A 88 0.387 4.501 -3.912 1.00 0.13 H new ATOM 0 HB2 ARG A 88 -0.108 3.959 -6.849 1.00 0.19 H new ATOM 0 HB3 ARG A 88 -0.884 5.161 -5.837 1.00 0.19 H new ATOM 0 HG2 ARG A 88 0.614 6.520 -6.906 1.00 0.82 H new ATOM 0 HG3 ARG A 88 1.615 6.048 -5.548 1.00 0.82 H new ATOM 0 HD2 ARG A 88 3.048 5.663 -7.349 1.00 0.41 H new ATOM 0 HD3 ARG A 88 2.381 4.066 -7.076 1.00 0.41 H new ATOM 0 HE ARG A 88 0.717 5.429 -8.963 1.00 0.90 H new ATOM 0 HH11 ARG A 88 3.956 4.050 -8.648 1.00 1.26 H new ATOM 0 HH12 ARG A 88 4.087 3.665 -10.367 1.00 1.26 H new ATOM 0 HH21 ARG A 88 0.894 4.941 -11.173 1.00 2.07 H new ATOM 0 HH22 ARG A 88 2.356 4.168 -11.794 1.00 2.07 H new ATOM 1377 N VAL A 89 -1.632 2.949 -3.827 1.00 0.11 N ATOM 1378 CA VAL A 89 -2.733 2.001 -3.633 1.00 0.11 C ATOM 1379 C VAL A 89 -4.026 2.757 -3.375 1.00 0.11 C ATOM 1380 O VAL A 89 -4.177 3.414 -2.345 1.00 0.12 O ATOM 1381 CB VAL A 89 -2.496 1.016 -2.460 1.00 0.13 C ATOM 1382 CG1 VAL A 89 -1.469 -0.042 -2.817 1.00 0.20 C ATOM 1383 CG2 VAL A 89 -2.081 1.754 -1.203 1.00 0.18 C ATOM 0 H VAL A 89 -1.761 3.830 -3.330 1.00 0.11 H new ATOM 0 HA VAL A 89 -2.795 1.414 -4.549 1.00 0.11 H new ATOM 0 HB VAL A 89 -3.443 0.512 -2.267 1.00 0.13 H new ATOM 0 HG11 VAL A 89 -1.329 -0.714 -1.970 1.00 0.20 H new ATOM 0 HG12 VAL A 89 -1.818 -0.611 -3.679 1.00 0.20 H new ATOM 0 HG13 VAL A 89 -0.521 0.438 -3.059 1.00 0.20 H new ATOM 0 HG21 VAL A 89 -1.922 1.038 -0.397 1.00 0.18 H new ATOM 0 HG22 VAL A 89 -1.157 2.301 -1.391 1.00 0.18 H new ATOM 0 HG23 VAL A 89 -2.866 2.454 -0.917 1.00 0.18 H new ATOM 1393 N MET A 90 -4.963 2.713 -4.300 1.00 0.11 N ATOM 1394 CA MET A 90 -6.230 3.362 -4.020 1.00 0.12 C ATOM 1395 C MET A 90 -7.404 2.416 -4.116 1.00 0.12 C ATOM 1396 O MET A 90 -7.549 1.645 -5.061 1.00 0.13 O ATOM 1397 CB MET A 90 -6.449 4.654 -4.805 1.00 0.16 C ATOM 1398 CG MET A 90 -7.483 4.583 -5.919 1.00 0.68 C ATOM 1399 SD MET A 90 -6.865 3.802 -7.421 1.00 1.30 S ATOM 1400 CE MET A 90 -8.336 3.815 -8.440 1.00 1.92 C ATOM 0 H MET A 90 -4.882 2.259 -5.210 1.00 0.11 H new ATOM 0 HA MET A 90 -6.166 3.670 -2.976 1.00 0.12 H new ATOM 0 HB2 MET A 90 -6.748 5.435 -4.106 1.00 0.16 H new ATOM 0 HB3 MET A 90 -5.497 4.960 -5.238 1.00 0.16 H new ATOM 0 HG2 MET A 90 -8.353 4.031 -5.563 1.00 0.68 H new ATOM 0 HG3 MET A 90 -7.821 5.592 -6.156 1.00 0.68 H new ATOM 0 HE1 MET A 90 -8.113 3.363 -9.406 1.00 1.92 H new ATOM 0 HE2 MET A 90 -9.125 3.247 -7.947 1.00 1.92 H new ATOM 0 HE3 MET A 90 -8.667 4.843 -8.588 1.00 1.92 H new ATOM 1410 N LEU A 91 -8.221 2.463 -3.096 1.00 0.12 N ATOM 1411 CA LEU A 91 -9.356 1.588 -2.989 1.00 0.12 C ATOM 1412 C LEU A 91 -10.625 2.327 -3.335 1.00 0.14 C ATOM 1413 O LEU A 91 -10.859 3.447 -2.872 1.00 0.15 O ATOM 1414 CB LEU A 91 -9.450 0.938 -1.592 1.00 0.11 C ATOM 1415 CG LEU A 91 -9.699 1.833 -0.348 1.00 0.12 C ATOM 1416 CD1 LEU A 91 -8.900 3.123 -0.377 1.00 0.15 C ATOM 1417 CD2 LEU A 91 -11.182 2.128 -0.158 1.00 0.14 C ATOM 0 H LEU A 91 -8.117 3.111 -2.315 1.00 0.12 H new ATOM 0 HA LEU A 91 -9.222 0.779 -3.707 1.00 0.12 H new ATOM 0 HB2 LEU A 91 -10.251 0.199 -1.629 1.00 0.11 H new ATOM 0 HB3 LEU A 91 -8.521 0.393 -1.422 1.00 0.11 H new ATOM 0 HG LEU A 91 -9.347 1.258 0.508 1.00 0.12 H new ATOM 0 HD11 LEU A 91 -9.117 3.705 0.519 1.00 0.15 H new ATOM 0 HD12 LEU A 91 -7.835 2.891 -0.410 1.00 0.15 H new ATOM 0 HD13 LEU A 91 -9.173 3.700 -1.260 1.00 0.15 H new ATOM 0 HD21 LEU A 91 -11.318 2.757 0.722 1.00 0.14 H new ATOM 0 HD22 LEU A 91 -11.565 2.646 -1.037 1.00 0.14 H new ATOM 0 HD23 LEU A 91 -11.725 1.192 -0.023 1.00 0.14 H new ATOM 1429 N ILE A 92 -11.431 1.727 -4.174 1.00 0.18 N ATOM 1430 CA ILE A 92 -12.719 2.285 -4.447 1.00 0.23 C ATOM 1431 C ILE A 92 -13.782 1.402 -3.844 1.00 0.23 C ATOM 1432 O ILE A 92 -13.982 0.260 -4.251 1.00 0.26 O ATOM 1433 CB ILE A 92 -12.977 2.489 -5.953 1.00 0.31 C ATOM 1434 CG1 ILE A 92 -11.919 3.425 -6.545 1.00 0.42 C ATOM 1435 CG2 ILE A 92 -14.380 3.043 -6.183 1.00 0.37 C ATOM 1436 CD1 ILE A 92 -12.088 3.675 -8.027 1.00 0.51 C ATOM 0 H ILE A 92 -11.217 0.863 -4.672 1.00 0.18 H new ATOM 0 HA ILE A 92 -12.752 3.276 -3.994 1.00 0.23 H new ATOM 0 HB ILE A 92 -12.907 1.525 -6.457 1.00 0.31 H new ATOM 0 HG12 ILE A 92 -11.955 4.379 -6.018 1.00 0.42 H new ATOM 0 HG13 ILE A 92 -10.931 3.000 -6.368 1.00 0.42 H new ATOM 0 HG21 ILE A 92 -14.546 3.181 -7.251 1.00 0.37 H new ATOM 0 HG22 ILE A 92 -15.117 2.343 -5.789 1.00 0.37 H new ATOM 0 HG23 ILE A 92 -14.481 4.001 -5.673 1.00 0.37 H new ATOM 0 HD11 ILE A 92 -11.303 4.346 -8.375 1.00 0.51 H new ATOM 0 HD12 ILE A 92 -12.022 2.730 -8.565 1.00 0.51 H new ATOM 0 HD13 ILE A 92 -13.062 4.129 -8.211 1.00 0.51 H new ATOM 1448 N GLY A 93 -14.436 1.953 -2.855 1.00 0.24 N ATOM 1449 CA GLY A 93 -15.447 1.238 -2.123 1.00 0.28 C ATOM 1450 C GLY A 93 -15.866 2.031 -0.920 1.00 0.30 C ATOM 1451 O GLY A 93 -16.664 2.959 -1.036 1.00 0.45 O ATOM 0 H GLY A 93 -14.283 2.909 -2.535 1.00 0.24 H new ATOM 0 HA2 GLY A 93 -16.309 1.051 -2.764 1.00 0.28 H new ATOM 0 HA3 GLY A 93 -15.064 0.266 -1.813 1.00 0.28 H new ATOM 1455 N GLU A 94 -15.300 1.715 0.228 1.00 0.25 N ATOM 1456 CA GLU A 94 -15.609 2.461 1.426 1.00 0.26 C ATOM 1457 C GLU A 94 -14.421 2.509 2.380 1.00 0.24 C ATOM 1458 O GLU A 94 -14.016 1.492 2.941 1.00 0.35 O ATOM 1459 CB GLU A 94 -16.815 1.836 2.124 1.00 0.32 C ATOM 1460 CG GLU A 94 -17.337 2.659 3.289 1.00 0.98 C ATOM 1461 CD GLU A 94 -17.835 4.027 2.862 1.00 1.53 C ATOM 1462 OE1 GLU A 94 -16.999 4.913 2.588 1.00 2.17 O ATOM 1463 OE2 GLU A 94 -19.066 4.219 2.793 1.00 2.02 O ATOM 0 H GLU A 94 -14.631 0.955 0.354 1.00 0.25 H new ATOM 0 HA GLU A 94 -15.842 3.485 1.135 1.00 0.26 H new ATOM 0 HB2 GLU A 94 -17.616 1.702 1.397 1.00 0.32 H new ATOM 0 HB3 GLU A 94 -16.542 0.844 2.484 1.00 0.32 H new ATOM 0 HG2 GLU A 94 -18.148 2.118 3.777 1.00 0.98 H new ATOM 0 HG3 GLU A 94 -16.544 2.779 4.028 1.00 0.98 H new ATOM 1470 N LYS A 95 -13.869 3.701 2.561 1.00 0.25 N ATOM 1471 CA LYS A 95 -12.896 3.941 3.615 1.00 0.26 C ATOM 1472 C LYS A 95 -13.660 4.313 4.873 1.00 0.39 C ATOM 1473 O LYS A 95 -13.537 5.426 5.387 1.00 0.48 O ATOM 1474 CB LYS A 95 -11.928 5.072 3.246 1.00 0.28 C ATOM 1475 CG LYS A 95 -10.634 4.627 2.579 1.00 0.27 C ATOM 1476 CD LYS A 95 -9.655 5.787 2.495 1.00 0.55 C ATOM 1477 CE LYS A 95 -8.315 5.373 1.912 1.00 0.35 C ATOM 1478 NZ LYS A 95 -7.360 6.511 1.873 1.00 1.19 N ATOM 0 H LYS A 95 -14.080 4.519 1.989 1.00 0.25 H new ATOM 0 HA LYS A 95 -12.300 3.041 3.765 1.00 0.26 H new ATOM 0 HB2 LYS A 95 -12.442 5.765 2.580 1.00 0.28 H new ATOM 0 HB3 LYS A 95 -11.679 5.626 4.151 1.00 0.28 H new ATOM 0 HG2 LYS A 95 -10.189 3.808 3.144 1.00 0.27 H new ATOM 0 HG3 LYS A 95 -10.845 4.247 1.579 1.00 0.27 H new ATOM 0 HD2 LYS A 95 -10.086 6.579 1.882 1.00 0.55 H new ATOM 0 HD3 LYS A 95 -9.502 6.203 3.491 1.00 0.55 H new ATOM 0 HE2 LYS A 95 -7.893 4.563 2.508 1.00 0.35 H new ATOM 0 HE3 LYS A 95 -8.461 4.985 0.904 1.00 0.35 H new ATOM 0 HZ1 LYS A 95 -6.397 6.151 1.715 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -7.620 7.156 1.100 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -7.394 7.024 2.777 1.00 1.19 H new ATOM 1492 N SER A 96 -14.469 3.369 5.334 1.00 0.46 N ATOM 1493 CA SER A 96 -15.408 3.609 6.427 1.00 0.65 C ATOM 1494 C SER A 96 -14.704 4.168 7.665 1.00 0.80 C ATOM 1495 O SER A 96 -13.631 3.706 8.056 1.00 0.99 O ATOM 1496 CB SER A 96 -16.146 2.311 6.774 1.00 0.74 C ATOM 1497 OG SER A 96 -17.215 2.546 7.673 1.00 1.30 O ATOM 0 H SER A 96 -14.495 2.419 4.965 1.00 0.46 H new ATOM 0 HA SER A 96 -16.128 4.357 6.094 1.00 0.65 H new ATOM 0 HB2 SER A 96 -16.530 1.855 5.862 1.00 0.74 H new ATOM 0 HB3 SER A 96 -15.447 1.601 7.216 1.00 0.74 H new ATOM 0 HG SER A 96 -17.666 1.699 7.873 1.00 1.30 H new ATOM 1503 N ASN A 97 -15.307 5.176 8.269 1.00 1.03 N ATOM 1504 CA ASN A 97 -14.758 5.775 9.475 1.00 1.27 C ATOM 1505 C ASN A 97 -15.608 5.388 10.670 1.00 1.85 C ATOM 1506 O ASN A 97 -15.268 4.392 11.343 1.00 2.21 O ATOM 1507 CB ASN A 97 -14.693 7.297 9.353 1.00 1.62 C ATOM 1508 CG ASN A 97 -13.729 7.770 8.283 1.00 1.97 C ATOM 1509 OD1 ASN A 97 -13.969 8.784 7.627 1.00 2.51 O ATOM 1510 ND2 ASN A 97 -12.628 7.055 8.108 1.00 2.63 N ATOM 1511 OXT ASN A 97 -16.632 6.058 10.914 1.00 2.58 O ATOM 0 H ASN A 97 -16.177 5.598 7.945 1.00 1.03 H new ATOM 0 HA ASN A 97 -13.743 5.402 9.612 1.00 1.27 H new ATOM 0 HB2 ASN A 97 -15.689 7.680 9.131 1.00 1.62 H new ATOM 0 HB3 ASN A 97 -14.396 7.720 10.313 1.00 1.62 H new ATOM 0 HD21 ASN A 97 -11.941 7.339 7.409 1.00 2.63 H new ATOM 0 HD22 ASN A 97 -12.467 6.221 8.672 1.00 2.63 H new TER 1518 ASN A 97