USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 767 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 84 GLN : amide:sc= -3.56! K(o=-4.1!,f=-0.62) USER MOD Set 1.2: A 87 CYS SG : rot 130:sc= -0.543 USER MOD Set 2.1: A 69 LYS NZ :NH3+ -139:sc= 0.315 (180deg=-3.59!) USER MOD Set 2.2: A 76 THR OG1 : rot -150:sc= 0.72 USER MOD Set 3.1: A 7 MET CE :methyl 174:sc= 0 (180deg=-0.0628) USER MOD Set 3.2: A 39 ASN : amide:sc= -3.62! C(o=-3.1!,f=-9.6!) USER MOD Set 3.3: A 40 SER OG : rot 14:sc= 0.475 USER MOD Set 4.1: A 3 LYS NZ :NH3+ -146:sc= -1.54! (180deg=-3.51!) USER MOD Set 4.2: A 85 ASN : amide:sc= -9.22! C(o=-11!,f=-8.1!) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.124 (180deg=-0.693) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0285 (180deg=-0.336) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 9 GLN : amide:sc= 0.01 K(o=0.01,f=-0.8) USER MOD Single : A 10 THR OG1 : rot 174:sc= -2.29! USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -114:sc= -3.37! USER MOD Single : A 19 SER OG : rot 118:sc= 0.896 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0909 USER MOD Single : A 24 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.3!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 63:sc= 0.927 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 37 GLN : amide:sc= 0.53 K(o=0.53,f=-1.2) USER MOD Single : A 45 GLN : amide:sc= -0.822 K(o=-0.82,f=0) USER MOD Single : A 49 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.007) USER MOD Single : A 55 THR OG1 : rot -75:sc= -1.15 USER MOD Single : A 62 GLN : amide:sc= -12.2! C(o=-12!,f=-14!) USER MOD Single : A 63 LYS NZ :NH3+ -120:sc= 0.302 (180deg=0.0729) USER MOD Single : A 67 LYS NZ :NH3+ -151:sc= 1.96 (180deg=1.28) USER MOD Single : A 70 SER OG : rot 30:sc= 0.465 USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= 0.804 (180deg=0.8) USER MOD Single : A 74 MET CE :methyl 140:sc= -0.26 (180deg=-1.28) USER MOD Single : A 79 SER OG : rot -92:sc= 1.26 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -119:sc= -0.928 (180deg=-4.22!) USER MOD Single : A 95 LYS NZ :NH3+ 164:sc= 0.91 (180deg=0.836) USER MOD Single : A 96 SER OG : rot 143:sc= 0.418 USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.792 16.081 -8.293 1.00 4.19 N ATOM 2 CA MET A 1 9.170 15.464 -7.100 1.00 3.57 C ATOM 3 C MET A 1 8.547 14.127 -7.477 1.00 2.58 C ATOM 4 O MET A 1 7.376 14.059 -7.856 1.00 2.86 O ATOM 5 CB MET A 1 8.109 16.402 -6.516 1.00 4.32 C ATOM 6 CG MET A 1 8.678 17.714 -6.000 1.00 5.05 C ATOM 7 SD MET A 1 7.401 18.866 -5.457 1.00 6.03 S ATOM 8 CE MET A 1 6.560 19.197 -7.006 1.00 6.63 C ATOM 0 H1 MET A 1 10.451 16.828 -7.994 1.00 4.19 H new ATOM 0 H2 MET A 1 10.311 15.356 -8.828 1.00 4.19 H new ATOM 0 H3 MET A 1 9.052 16.494 -8.896 1.00 4.19 H new ATOM 0 HA MET A 1 9.936 15.294 -6.344 1.00 3.57 H new ATOM 0 HB2 MET A 1 7.363 16.615 -7.281 1.00 4.32 H new ATOM 0 HB3 MET A 1 7.594 15.893 -5.701 1.00 4.32 H new ATOM 0 HG2 MET A 1 9.353 17.510 -5.169 1.00 5.05 H new ATOM 0 HG3 MET A 1 9.272 18.181 -6.786 1.00 5.05 H new ATOM 0 HE1 MET A 1 6.041 20.154 -6.941 1.00 6.63 H new ATOM 0 HE2 MET A 1 7.289 19.234 -7.815 1.00 6.63 H new ATOM 0 HE3 MET A 1 5.837 18.405 -7.204 1.00 6.63 H new ATOM 20 N ALA A 2 9.329 13.062 -7.365 1.00 2.10 N ATOM 21 CA ALA A 2 8.911 11.754 -7.847 1.00 1.89 C ATOM 22 C ALA A 2 8.731 10.751 -6.713 1.00 1.69 C ATOM 23 O ALA A 2 9.347 10.867 -5.656 1.00 2.38 O ATOM 24 CB ALA A 2 9.933 11.229 -8.839 1.00 2.89 C ATOM 0 H ALA A 2 10.258 13.079 -6.944 1.00 2.10 H new ATOM 0 HA ALA A 2 7.942 11.875 -8.332 1.00 1.89 H new ATOM 0 HB1 ALA A 2 9.620 10.249 -9.200 1.00 2.89 H new ATOM 0 HB2 ALA A 2 10.011 11.918 -9.680 1.00 2.89 H new ATOM 0 HB3 ALA A 2 10.903 11.142 -8.350 1.00 2.89 H new ATOM 30 N LYS A 3 7.866 9.773 -6.955 1.00 1.22 N ATOM 31 CA LYS A 3 7.669 8.657 -6.040 1.00 0.97 C ATOM 32 C LYS A 3 8.663 7.543 -6.350 1.00 1.06 C ATOM 33 O LYS A 3 9.229 6.931 -5.443 1.00 1.96 O ATOM 34 CB LYS A 3 6.228 8.132 -6.157 1.00 0.75 C ATOM 35 CG LYS A 3 6.077 6.643 -5.860 1.00 0.46 C ATOM 36 CD LYS A 3 6.287 6.298 -4.397 1.00 0.42 C ATOM 37 CE LYS A 3 5.121 6.684 -3.497 1.00 0.29 C ATOM 38 NZ LYS A 3 4.975 8.153 -3.309 1.00 0.44 N ATOM 0 H LYS A 3 7.282 9.732 -7.790 1.00 1.22 H new ATOM 0 HA LYS A 3 7.837 9.001 -5.019 1.00 0.97 H new ATOM 0 HB2 LYS A 3 5.592 8.694 -5.472 1.00 0.75 H new ATOM 0 HB3 LYS A 3 5.863 8.329 -7.165 1.00 0.75 H new ATOM 0 HG2 LYS A 3 5.082 6.318 -6.163 1.00 0.46 H new ATOM 0 HG3 LYS A 3 6.792 6.085 -6.464 1.00 0.46 H new ATOM 0 HD2 LYS A 3 6.462 5.226 -4.308 1.00 0.42 H new ATOM 0 HD3 LYS A 3 7.188 6.798 -4.042 1.00 0.42 H new ATOM 0 HE2 LYS A 3 4.199 6.287 -3.921 1.00 0.29 H new ATOM 0 HE3 LYS A 3 5.253 6.213 -2.523 1.00 0.29 H new ATOM 0 HZ1 LYS A 3 4.627 8.347 -2.349 1.00 0.44 H new ATOM 0 HZ2 LYS A 3 5.898 8.613 -3.442 1.00 0.44 H new ATOM 0 HZ3 LYS A 3 4.298 8.526 -4.005 1.00 0.44 H new ATOM 52 N THR A 4 8.839 7.271 -7.635 1.00 0.55 N ATOM 53 CA THR A 4 9.766 6.246 -8.096 1.00 0.59 C ATOM 54 C THR A 4 11.161 6.459 -7.505 1.00 0.59 C ATOM 55 O THR A 4 11.694 5.585 -6.818 1.00 0.84 O ATOM 56 CB THR A 4 9.838 6.249 -9.633 1.00 0.79 C ATOM 57 OG1 THR A 4 8.509 6.354 -10.167 1.00 1.37 O ATOM 58 CG2 THR A 4 10.494 4.979 -10.152 1.00 1.30 C ATOM 0 H THR A 4 8.345 7.753 -8.386 1.00 0.55 H new ATOM 0 HA THR A 4 9.397 5.278 -7.757 1.00 0.59 H new ATOM 0 HB THR A 4 10.440 7.100 -9.951 1.00 0.79 H new ATOM 0 HG1 THR A 4 8.549 6.358 -11.146 1.00 1.37 H new ATOM 0 HG21 THR A 4 10.532 5.008 -11.241 1.00 1.30 H new ATOM 0 HG22 THR A 4 11.507 4.904 -9.756 1.00 1.30 H new ATOM 0 HG23 THR A 4 9.914 4.113 -9.832 1.00 1.30 H new ATOM 66 N GLU A 5 11.732 7.631 -7.750 1.00 0.65 N ATOM 67 CA GLU A 5 13.041 7.969 -7.207 1.00 0.77 C ATOM 68 C GLU A 5 12.901 8.535 -5.800 1.00 0.71 C ATOM 69 O GLU A 5 12.762 9.742 -5.614 1.00 1.25 O ATOM 70 CB GLU A 5 13.752 8.968 -8.118 1.00 1.05 C ATOM 71 CG GLU A 5 14.107 8.394 -9.479 1.00 1.70 C ATOM 72 CD GLU A 5 14.757 9.411 -10.388 1.00 2.55 C ATOM 73 OE1 GLU A 5 15.801 9.977 -10.007 1.00 2.70 O ATOM 74 OE2 GLU A 5 14.226 9.648 -11.493 1.00 3.43 O ATOM 0 H GLU A 5 11.310 8.363 -8.321 1.00 0.65 H new ATOM 0 HA GLU A 5 13.642 7.061 -7.155 1.00 0.77 H new ATOM 0 HB2 GLU A 5 13.115 9.842 -8.255 1.00 1.05 H new ATOM 0 HB3 GLU A 5 14.663 9.312 -7.628 1.00 1.05 H new ATOM 0 HG2 GLU A 5 14.781 7.547 -9.347 1.00 1.70 H new ATOM 0 HG3 GLU A 5 13.204 8.012 -9.955 1.00 1.70 H new ATOM 81 N GLU A 6 12.930 7.643 -4.820 1.00 0.58 N ATOM 82 CA GLU A 6 12.755 8.012 -3.420 1.00 0.45 C ATOM 83 C GLU A 6 13.199 6.879 -2.512 1.00 0.38 C ATOM 84 O GLU A 6 14.376 6.738 -2.188 1.00 0.44 O ATOM 85 CB GLU A 6 11.287 8.285 -3.107 1.00 0.45 C ATOM 86 CG GLU A 6 10.896 9.739 -2.953 1.00 0.66 C ATOM 87 CD GLU A 6 11.681 10.440 -1.871 1.00 1.75 C ATOM 88 OE1 GLU A 6 11.599 10.008 -0.704 1.00 2.53 O ATOM 89 OE2 GLU A 6 12.361 11.442 -2.176 1.00 2.17 O ATOM 0 H GLU A 6 13.075 6.645 -4.971 1.00 0.58 H new ATOM 0 HA GLU A 6 13.354 8.906 -3.249 1.00 0.45 H new ATOM 0 HB2 GLU A 6 10.681 7.849 -3.901 1.00 0.45 H new ATOM 0 HB3 GLU A 6 11.030 7.762 -2.186 1.00 0.45 H new ATOM 0 HG2 GLU A 6 11.050 10.255 -3.901 1.00 0.66 H new ATOM 0 HG3 GLU A 6 9.832 9.803 -2.724 1.00 0.66 H new ATOM 96 N MET A 7 12.214 6.055 -2.149 1.00 0.32 N ATOM 97 CA MET A 7 12.390 4.975 -1.195 1.00 0.29 C ATOM 98 C MET A 7 13.000 5.472 0.108 1.00 0.34 C ATOM 99 O MET A 7 13.906 4.850 0.645 1.00 0.70 O ATOM 100 CB MET A 7 13.210 3.842 -1.803 1.00 0.35 C ATOM 101 CG MET A 7 12.339 2.699 -2.292 1.00 0.30 C ATOM 102 SD MET A 7 13.198 1.579 -3.413 1.00 0.45 S ATOM 103 CE MET A 7 14.495 0.961 -2.345 1.00 1.60 C ATOM 0 H MET A 7 11.265 6.125 -2.517 1.00 0.32 H new ATOM 0 HA MET A 7 11.403 4.580 -0.954 1.00 0.29 H new ATOM 0 HB2 MET A 7 13.799 4.229 -2.635 1.00 0.35 H new ATOM 0 HB3 MET A 7 13.914 3.467 -1.060 1.00 0.35 H new ATOM 0 HG2 MET A 7 11.976 2.135 -1.433 1.00 0.30 H new ATOM 0 HG3 MET A 7 11.464 3.108 -2.798 1.00 0.30 H new ATOM 0 HE1 MET A 7 15.048 0.176 -2.861 1.00 1.60 H new ATOM 0 HE2 MET A 7 15.173 1.775 -2.088 1.00 1.60 H new ATOM 0 HE3 MET A 7 14.054 0.555 -1.434 1.00 1.60 H new ATOM 113 N VAL A 8 12.501 6.616 0.585 1.00 0.31 N ATOM 114 CA VAL A 8 12.849 7.142 1.908 1.00 0.30 C ATOM 115 C VAL A 8 11.785 8.128 2.405 1.00 0.31 C ATOM 116 O VAL A 8 12.059 9.317 2.568 1.00 0.46 O ATOM 117 CB VAL A 8 14.230 7.856 1.939 1.00 0.39 C ATOM 118 CG1 VAL A 8 15.359 6.875 2.218 1.00 1.50 C ATOM 119 CG2 VAL A 8 14.493 8.604 0.637 1.00 1.12 C ATOM 0 H VAL A 8 11.846 7.202 0.067 1.00 0.31 H new ATOM 0 HA VAL A 8 12.900 6.272 2.562 1.00 0.30 H new ATOM 0 HB VAL A 8 14.199 8.579 2.754 1.00 0.39 H new ATOM 0 HG11 VAL A 8 16.309 7.409 2.232 1.00 1.50 H new ATOM 0 HG12 VAL A 8 15.196 6.398 3.184 1.00 1.50 H new ATOM 0 HG13 VAL A 8 15.382 6.115 1.437 1.00 1.50 H new ATOM 0 HG21 VAL A 8 15.466 9.093 0.688 1.00 1.12 H new ATOM 0 HG22 VAL A 8 14.484 7.900 -0.195 1.00 1.12 H new ATOM 0 HG23 VAL A 8 13.717 9.354 0.485 1.00 1.12 H new ATOM 129 N GLN A 9 10.570 7.636 2.662 1.00 0.23 N ATOM 130 CA GLN A 9 9.515 8.493 3.194 1.00 0.24 C ATOM 131 C GLN A 9 9.124 8.103 4.629 1.00 0.26 C ATOM 132 O GLN A 9 9.375 8.866 5.559 1.00 0.38 O ATOM 133 CB GLN A 9 8.310 8.499 2.256 1.00 0.26 C ATOM 134 CG GLN A 9 8.560 9.299 0.989 1.00 0.31 C ATOM 135 CD GLN A 9 8.674 10.788 1.256 1.00 1.15 C ATOM 136 OE1 GLN A 9 8.015 11.324 2.147 1.00 1.97 O ATOM 137 NE2 GLN A 9 9.535 11.460 0.512 1.00 1.86 N ATOM 0 H GLN A 9 10.298 6.664 2.512 1.00 0.23 H new ATOM 0 HA GLN A 9 9.904 9.510 3.249 1.00 0.24 H new ATOM 0 HB2 GLN A 9 8.057 7.473 1.989 1.00 0.26 H new ATOM 0 HB3 GLN A 9 7.449 8.914 2.779 1.00 0.26 H new ATOM 0 HG2 GLN A 9 9.476 8.947 0.515 1.00 0.31 H new ATOM 0 HG3 GLN A 9 7.748 9.121 0.284 1.00 0.31 H new ATOM 0 HE21 GLN A 9 10.063 10.980 -0.217 1.00 1.86 H new ATOM 0 HE22 GLN A 9 9.672 12.459 0.667 1.00 1.86 H new ATOM 146 N THR A 10 8.537 6.922 4.826 1.00 0.21 N ATOM 147 CA THR A 10 8.182 6.473 6.179 1.00 0.21 C ATOM 148 C THR A 10 8.967 5.221 6.578 1.00 0.21 C ATOM 149 O THR A 10 8.758 4.141 6.029 1.00 0.21 O ATOM 150 CB THR A 10 6.675 6.188 6.308 1.00 0.23 C ATOM 151 OG1 THR A 10 5.925 7.308 5.824 1.00 0.26 O ATOM 152 CG2 THR A 10 6.293 5.931 7.758 1.00 0.28 C ATOM 0 H THR A 10 8.299 6.266 4.082 1.00 0.21 H new ATOM 0 HA THR A 10 8.445 7.288 6.853 1.00 0.21 H new ATOM 0 HB THR A 10 6.448 5.301 5.717 1.00 0.23 H new ATOM 0 HG1 THR A 10 4.971 7.085 5.818 1.00 0.26 H new ATOM 0 HG21 THR A 10 5.223 5.732 7.823 1.00 0.28 H new ATOM 0 HG22 THR A 10 6.846 5.069 8.133 1.00 0.28 H new ATOM 0 HG23 THR A 10 6.536 6.807 8.359 1.00 0.28 H new ATOM 160 N GLU A 11 9.884 5.389 7.517 1.00 0.25 N ATOM 161 CA GLU A 11 10.766 4.312 7.959 1.00 0.28 C ATOM 162 C GLU A 11 10.081 3.398 8.985 1.00 0.25 C ATOM 163 O GLU A 11 9.174 3.825 9.702 1.00 0.40 O ATOM 164 CB GLU A 11 12.030 4.931 8.554 1.00 0.45 C ATOM 165 CG GLU A 11 13.214 3.986 8.646 1.00 0.47 C ATOM 166 CD GLU A 11 14.452 4.686 9.162 1.00 0.70 C ATOM 167 OE1 GLU A 11 14.642 4.741 10.395 1.00 1.50 O ATOM 168 OE2 GLU A 11 15.255 5.166 8.334 1.00 1.15 O ATOM 0 H GLU A 11 10.041 6.275 7.997 1.00 0.25 H new ATOM 0 HA GLU A 11 11.019 3.690 7.101 1.00 0.28 H new ATOM 0 HB2 GLU A 11 12.316 5.792 7.950 1.00 0.45 H new ATOM 0 HB3 GLU A 11 11.801 5.303 9.552 1.00 0.45 H new ATOM 0 HG2 GLU A 11 12.965 3.154 9.305 1.00 0.47 H new ATOM 0 HG3 GLU A 11 13.419 3.563 7.663 1.00 0.47 H new ATOM 175 N GLU A 12 10.532 2.145 9.038 1.00 0.31 N ATOM 176 CA GLU A 12 10.011 1.147 9.972 1.00 0.31 C ATOM 177 C GLU A 12 11.047 0.025 10.109 1.00 0.33 C ATOM 178 O GLU A 12 12.096 0.091 9.470 1.00 0.50 O ATOM 179 CB GLU A 12 8.655 0.619 9.479 1.00 0.38 C ATOM 180 CG GLU A 12 7.909 -0.273 10.463 1.00 0.56 C ATOM 181 CD GLU A 12 7.777 0.345 11.840 1.00 0.89 C ATOM 182 OE1 GLU A 12 6.899 1.213 12.015 1.00 1.56 O ATOM 183 OE2 GLU A 12 8.549 -0.029 12.749 1.00 1.37 O ATOM 0 H GLU A 12 11.272 1.792 8.432 1.00 0.31 H new ATOM 0 HA GLU A 12 9.843 1.590 10.953 1.00 0.31 H new ATOM 0 HB2 GLU A 12 8.020 1.470 9.231 1.00 0.38 H new ATOM 0 HB3 GLU A 12 8.814 0.061 8.556 1.00 0.38 H new ATOM 0 HG2 GLU A 12 6.915 -0.486 10.070 1.00 0.56 H new ATOM 0 HG3 GLU A 12 8.430 -1.227 10.547 1.00 0.56 H new ATOM 190 N MET A 13 10.758 -0.993 10.921 1.00 0.38 N ATOM 191 CA MET A 13 11.754 -2.009 11.286 1.00 0.46 C ATOM 192 C MET A 13 12.406 -2.692 10.080 1.00 0.40 C ATOM 193 O MET A 13 13.615 -2.905 10.083 1.00 0.49 O ATOM 194 CB MET A 13 11.120 -3.074 12.177 1.00 0.61 C ATOM 195 CG MET A 13 10.553 -2.528 13.475 1.00 0.92 C ATOM 196 SD MET A 13 11.810 -1.755 14.509 1.00 1.76 S ATOM 197 CE MET A 13 10.821 -1.251 15.913 1.00 2.64 C ATOM 0 H MET A 13 9.840 -1.138 11.341 1.00 0.38 H new ATOM 0 HA MET A 13 12.541 -1.476 11.819 1.00 0.46 H new ATOM 0 HB2 MET A 13 10.323 -3.570 11.623 1.00 0.61 H new ATOM 0 HB3 MET A 13 11.867 -3.833 12.409 1.00 0.61 H new ATOM 0 HG2 MET A 13 9.775 -1.799 13.249 1.00 0.92 H new ATOM 0 HG3 MET A 13 10.079 -3.338 14.030 1.00 0.92 H new ATOM 0 HE1 MET A 13 11.457 -0.755 16.646 1.00 2.64 H new ATOM 0 HE2 MET A 13 10.043 -0.563 15.582 1.00 2.64 H new ATOM 0 HE3 MET A 13 10.360 -2.128 16.367 1.00 2.64 H new ATOM 207 N GLU A 14 11.632 -3.041 9.055 1.00 0.30 N ATOM 208 CA GLU A 14 12.234 -3.598 7.842 1.00 0.28 C ATOM 209 C GLU A 14 12.157 -2.615 6.687 1.00 0.31 C ATOM 210 O GLU A 14 12.990 -2.641 5.794 1.00 0.61 O ATOM 211 CB GLU A 14 11.516 -4.886 7.429 1.00 0.33 C ATOM 212 CG GLU A 14 11.901 -5.394 6.043 1.00 0.45 C ATOM 213 CD GLU A 14 13.091 -6.326 6.053 1.00 0.86 C ATOM 214 OE1 GLU A 14 14.233 -5.843 6.141 1.00 1.19 O ATOM 215 OE2 GLU A 14 12.877 -7.552 5.956 1.00 1.33 O ATOM 0 H GLU A 14 10.616 -2.953 9.035 1.00 0.30 H new ATOM 0 HA GLU A 14 13.279 -3.808 8.069 1.00 0.28 H new ATOM 0 HB2 GLU A 14 11.734 -5.662 8.163 1.00 0.33 H new ATOM 0 HB3 GLU A 14 10.440 -4.715 7.456 1.00 0.33 H new ATOM 0 HG2 GLU A 14 11.048 -5.911 5.604 1.00 0.45 H new ATOM 0 HG3 GLU A 14 12.122 -4.542 5.401 1.00 0.45 H new ATOM 222 N THR A 15 11.203 -1.699 6.758 1.00 0.20 N ATOM 223 CA THR A 15 10.897 -0.829 5.631 1.00 0.18 C ATOM 224 C THR A 15 12.051 0.116 5.374 1.00 0.21 C ATOM 225 O THR A 15 12.682 0.600 6.314 1.00 0.30 O ATOM 226 CB THR A 15 9.627 -0.018 5.913 1.00 0.23 C ATOM 227 OG1 THR A 15 8.792 -0.744 6.823 1.00 1.04 O ATOM 228 CG2 THR A 15 8.842 0.254 4.643 1.00 0.90 C ATOM 0 H THR A 15 10.627 -1.538 7.584 1.00 0.20 H new ATOM 0 HA THR A 15 10.736 -1.450 4.750 1.00 0.18 H new ATOM 0 HB THR A 15 9.930 0.937 6.343 1.00 0.23 H new ATOM 0 HG1 THR A 15 7.961 -0.999 6.371 1.00 1.04 H new ATOM 0 HG21 THR A 15 7.949 0.831 4.884 1.00 0.90 H new ATOM 0 HG22 THR A 15 9.462 0.818 3.946 1.00 0.90 H new ATOM 0 HG23 THR A 15 8.551 -0.692 4.186 1.00 0.90 H new ATOM 236 N PRO A 16 12.338 0.419 4.106 1.00 0.21 N ATOM 237 CA PRO A 16 13.463 1.238 3.745 1.00 0.24 C ATOM 238 C PRO A 16 13.032 2.677 3.694 1.00 0.21 C ATOM 239 O PRO A 16 13.419 3.438 2.815 1.00 0.22 O ATOM 240 CB PRO A 16 13.809 0.669 2.390 1.00 0.28 C ATOM 241 CG PRO A 16 12.496 0.386 1.764 1.00 0.26 C ATOM 242 CD PRO A 16 11.559 0.051 2.903 1.00 0.19 C ATOM 0 HA PRO A 16 14.310 1.227 4.431 1.00 0.24 H new ATOM 0 HB2 PRO A 16 14.388 1.378 1.797 1.00 0.28 H new ATOM 0 HB3 PRO A 16 14.410 -0.236 2.480 1.00 0.28 H new ATOM 0 HG2 PRO A 16 12.136 1.249 1.203 1.00 0.26 H new ATOM 0 HG3 PRO A 16 12.569 -0.444 1.061 1.00 0.26 H new ATOM 0 HD2 PRO A 16 10.629 0.616 2.838 1.00 0.19 H new ATOM 0 HD3 PRO A 16 11.291 -1.005 2.905 1.00 0.19 H new ATOM 250 N ARG A 17 12.212 3.017 4.680 1.00 0.21 N ATOM 251 CA ARG A 17 11.518 4.278 4.722 1.00 0.21 C ATOM 252 C ARG A 17 10.611 4.383 3.495 1.00 0.19 C ATOM 253 O ARG A 17 10.888 5.109 2.555 1.00 0.28 O ATOM 254 CB ARG A 17 12.524 5.432 4.803 1.00 0.26 C ATOM 255 CG ARG A 17 11.965 6.676 5.458 1.00 0.39 C ATOM 256 CD ARG A 17 13.012 7.760 5.609 1.00 0.37 C ATOM 257 NE ARG A 17 12.454 8.945 6.252 1.00 1.13 N ATOM 258 CZ ARG A 17 13.019 10.146 6.223 1.00 1.48 C ATOM 259 NH1 ARG A 17 14.188 10.317 5.622 1.00 1.46 N ATOM 260 NH2 ARG A 17 12.417 11.177 6.802 1.00 2.42 N ATOM 0 H ARG A 17 12.014 2.412 5.477 1.00 0.21 H new ATOM 0 HA ARG A 17 10.894 4.340 5.613 1.00 0.21 H new ATOM 0 HB2 ARG A 17 13.401 5.101 5.360 1.00 0.26 H new ATOM 0 HB3 ARG A 17 12.861 5.681 3.797 1.00 0.26 H new ATOM 0 HG2 ARG A 17 11.134 7.056 4.864 1.00 0.39 H new ATOM 0 HG3 ARG A 17 11.565 6.420 6.439 1.00 0.39 H new ATOM 0 HD2 ARG A 17 13.848 7.383 6.198 1.00 0.37 H new ATOM 0 HD3 ARG A 17 13.407 8.027 4.629 1.00 0.37 H new ATOM 0 HE ARG A 17 11.573 8.844 6.756 1.00 1.13 H new ATOM 0 HH11 ARG A 17 14.655 9.525 5.181 1.00 1.46 H new ATOM 0 HH12 ARG A 17 14.620 11.241 5.601 1.00 1.46 H new ATOM 0 HH21 ARG A 17 11.520 11.047 7.270 1.00 2.42 H new ATOM 0 HH22 ARG A 17 12.851 12.100 6.780 1.00 2.42 H new ATOM 274 N LEU A 18 9.527 3.623 3.497 1.00 0.16 N ATOM 275 CA LEU A 18 8.636 3.577 2.348 1.00 0.14 C ATOM 276 C LEU A 18 7.215 3.990 2.694 1.00 0.13 C ATOM 277 O LEU A 18 6.528 3.319 3.471 1.00 0.15 O ATOM 278 CB LEU A 18 8.611 2.180 1.769 1.00 0.19 C ATOM 279 CG LEU A 18 9.357 2.005 0.455 1.00 0.23 C ATOM 280 CD1 LEU A 18 10.726 2.637 0.535 1.00 0.25 C ATOM 281 CD2 LEU A 18 9.455 0.534 0.088 1.00 0.27 C ATOM 0 H LEU A 18 9.244 3.032 4.278 1.00 0.16 H new ATOM 0 HA LEU A 18 9.025 4.289 1.620 1.00 0.14 H new ATOM 0 HB2 LEU A 18 9.035 1.494 2.502 1.00 0.19 H new ATOM 0 HB3 LEU A 18 7.572 1.885 1.620 1.00 0.19 H new ATOM 0 HG LEU A 18 8.797 2.511 -0.331 1.00 0.23 H new ATOM 0 HD11 LEU A 18 11.245 2.502 -0.414 1.00 0.25 H new ATOM 0 HD12 LEU A 18 10.624 3.702 0.744 1.00 0.25 H new ATOM 0 HD13 LEU A 18 11.299 2.164 1.333 1.00 0.25 H new ATOM 0 HD21 LEU A 18 9.992 0.429 -0.855 1.00 0.27 H new ATOM 0 HD22 LEU A 18 9.990 -0.002 0.872 1.00 0.27 H new ATOM 0 HD23 LEU A 18 8.453 0.118 -0.017 1.00 0.27 H new ATOM 293 N SER A 19 6.772 5.069 2.068 1.00 0.16 N ATOM 294 CA SER A 19 5.444 5.599 2.280 1.00 0.16 C ATOM 295 C SER A 19 4.643 5.594 0.989 1.00 0.14 C ATOM 296 O SER A 19 5.034 6.188 -0.008 1.00 0.18 O ATOM 297 CB SER A 19 5.567 7.008 2.802 1.00 0.23 C ATOM 298 OG SER A 19 4.319 7.678 2.815 1.00 0.67 O ATOM 0 H SER A 19 7.329 5.600 1.398 1.00 0.16 H new ATOM 0 HA SER A 19 4.919 4.973 3.001 1.00 0.16 H new ATOM 0 HB2 SER A 19 5.978 6.986 3.811 1.00 0.23 H new ATOM 0 HB3 SER A 19 6.271 7.564 2.183 1.00 0.23 H new ATOM 0 HG SER A 19 4.086 7.918 3.736 1.00 0.67 H new ATOM 304 N VAL A 20 3.512 4.947 1.042 1.00 0.14 N ATOM 305 CA VAL A 20 2.639 4.794 -0.097 1.00 0.14 C ATOM 306 C VAL A 20 1.451 5.728 0.026 1.00 0.13 C ATOM 307 O VAL A 20 1.036 6.087 1.124 1.00 0.14 O ATOM 308 CB VAL A 20 2.158 3.325 -0.223 1.00 0.19 C ATOM 309 CG1 VAL A 20 2.589 2.518 0.985 1.00 0.89 C ATOM 310 CG2 VAL A 20 0.652 3.223 -0.400 1.00 0.85 C ATOM 0 H VAL A 20 3.162 4.502 1.891 1.00 0.14 H new ATOM 0 HA VAL A 20 3.197 5.051 -0.998 1.00 0.14 H new ATOM 0 HB VAL A 20 2.624 2.916 -1.119 1.00 0.19 H new ATOM 0 HG11 VAL A 20 2.242 1.490 0.878 1.00 0.89 H new ATOM 0 HG12 VAL A 20 3.676 2.528 1.060 1.00 0.89 H new ATOM 0 HG13 VAL A 20 2.159 2.954 1.886 1.00 0.89 H new ATOM 0 HG21 VAL A 20 0.366 2.175 -0.483 1.00 0.85 H new ATOM 0 HG22 VAL A 20 0.153 3.668 0.461 1.00 0.85 H new ATOM 0 HG23 VAL A 20 0.355 3.753 -1.305 1.00 0.85 H new ATOM 320 N ILE A 21 0.909 6.119 -1.103 1.00 0.16 N ATOM 321 CA ILE A 21 -0.251 6.988 -1.108 1.00 0.18 C ATOM 322 C ILE A 21 -1.527 6.170 -1.273 1.00 0.16 C ATOM 323 O ILE A 21 -1.741 5.531 -2.304 1.00 0.20 O ATOM 324 CB ILE A 21 -0.151 8.037 -2.229 1.00 0.28 C ATOM 325 CG1 ILE A 21 0.939 7.635 -3.221 1.00 0.23 C ATOM 326 CG2 ILE A 21 0.136 9.411 -1.641 1.00 0.50 C ATOM 327 CD1 ILE A 21 0.907 8.414 -4.518 1.00 0.73 C ATOM 0 H ILE A 21 1.248 5.853 -2.027 1.00 0.16 H new ATOM 0 HA ILE A 21 -0.284 7.509 -0.151 1.00 0.18 H new ATOM 0 HB ILE A 21 -1.103 8.085 -2.758 1.00 0.28 H new ATOM 0 HG12 ILE A 21 1.913 7.772 -2.751 1.00 0.23 H new ATOM 0 HG13 ILE A 21 0.839 6.573 -3.444 1.00 0.23 H new ATOM 0 HG21 ILE A 21 0.204 10.144 -2.445 1.00 0.50 H new ATOM 0 HG22 ILE A 21 -0.669 9.691 -0.962 1.00 0.50 H new ATOM 0 HG23 ILE A 21 1.079 9.383 -1.094 1.00 0.50 H new ATOM 0 HD11 ILE A 21 1.711 8.070 -5.169 1.00 0.73 H new ATOM 0 HD12 ILE A 21 -0.052 8.258 -5.013 1.00 0.73 H new ATOM 0 HD13 ILE A 21 1.038 9.476 -4.308 1.00 0.73 H new ATOM 339 N VAL A 22 -2.371 6.194 -0.245 1.00 0.14 N ATOM 340 CA VAL A 22 -3.624 5.449 -0.260 1.00 0.13 C ATOM 341 C VAL A 22 -4.800 6.395 -0.349 1.00 0.13 C ATOM 342 O VAL A 22 -5.004 7.214 0.545 1.00 0.20 O ATOM 343 CB VAL A 22 -3.805 4.603 1.012 1.00 0.15 C ATOM 344 CG1 VAL A 22 -5.038 3.725 0.900 1.00 0.16 C ATOM 345 CG2 VAL A 22 -2.570 3.773 1.286 1.00 0.20 C ATOM 0 H VAL A 22 -2.208 6.724 0.611 1.00 0.14 H new ATOM 0 HA VAL A 22 -3.584 4.793 -1.130 1.00 0.13 H new ATOM 0 HB VAL A 22 -3.947 5.279 1.855 1.00 0.15 H new ATOM 0 HG11 VAL A 22 -5.148 3.135 1.810 1.00 0.16 H new ATOM 0 HG12 VAL A 22 -5.920 4.351 0.765 1.00 0.16 H new ATOM 0 HG13 VAL A 22 -4.933 3.057 0.045 1.00 0.16 H new ATOM 0 HG21 VAL A 22 -2.721 3.183 2.190 1.00 0.20 H new ATOM 0 HG22 VAL A 22 -2.386 3.106 0.444 1.00 0.20 H new ATOM 0 HG23 VAL A 22 -1.712 4.431 1.422 1.00 0.20 H new ATOM 355 N THR A 23 -5.593 6.274 -1.394 1.00 0.15 N ATOM 356 CA THR A 23 -6.710 7.180 -1.563 1.00 0.18 C ATOM 357 C THR A 23 -8.020 6.443 -1.852 1.00 0.15 C ATOM 358 O THR A 23 -8.033 5.283 -2.273 1.00 0.16 O ATOM 359 CB THR A 23 -6.423 8.239 -2.655 1.00 0.33 C ATOM 360 OG1 THR A 23 -7.531 9.134 -2.791 1.00 1.21 O ATOM 361 CG2 THR A 23 -6.125 7.591 -3.995 1.00 0.87 C ATOM 0 H THR A 23 -5.489 5.571 -2.126 1.00 0.15 H new ATOM 0 HA THR A 23 -6.833 7.698 -0.612 1.00 0.18 H new ATOM 0 HB THR A 23 -5.542 8.799 -2.341 1.00 0.33 H new ATOM 0 HG1 THR A 23 -7.332 9.798 -3.484 1.00 1.21 H new ATOM 0 HG21 THR A 23 -5.928 8.364 -4.737 1.00 0.87 H new ATOM 0 HG22 THR A 23 -5.250 6.947 -3.901 1.00 0.87 H new ATOM 0 HG23 THR A 23 -6.982 6.995 -4.310 1.00 0.87 H new ATOM 369 N HIS A 24 -9.108 7.127 -1.539 1.00 0.20 N ATOM 370 CA HIS A 24 -10.463 6.689 -1.832 1.00 0.24 C ATOM 371 C HIS A 24 -11.271 7.936 -2.165 1.00 0.34 C ATOM 372 O HIS A 24 -11.552 8.734 -1.271 1.00 0.38 O ATOM 373 CB HIS A 24 -11.041 5.970 -0.597 1.00 0.31 C ATOM 374 CG HIS A 24 -12.538 5.982 -0.491 1.00 0.47 C ATOM 375 ND1 HIS A 24 -13.209 6.609 0.541 1.00 1.20 N ATOM 376 CD2 HIS A 24 -13.494 5.436 -1.281 1.00 1.13 C ATOM 377 CE1 HIS A 24 -14.507 6.452 0.377 1.00 1.08 C ATOM 378 NE2 HIS A 24 -14.708 5.745 -0.720 1.00 0.96 N ATOM 0 H HIS A 24 -9.072 8.027 -1.061 1.00 0.20 H new ATOM 0 HA HIS A 24 -10.491 5.991 -2.669 1.00 0.24 H new ATOM 0 HB2 HIS A 24 -10.702 4.934 -0.608 1.00 0.31 H new ATOM 0 HB3 HIS A 24 -10.626 6.431 0.299 1.00 0.31 H new ATOM 0 HD1 HIS A 24 -12.769 7.114 1.310 1.00 1.20 H new ATOM 0 HD2 HIS A 24 -13.331 4.865 -2.183 1.00 1.13 H new ATOM 0 HE1 HIS A 24 -15.277 6.837 1.030 1.00 1.08 H new ATOM 387 N SER A 25 -11.633 8.102 -3.440 1.00 0.41 N ATOM 388 CA SER A 25 -12.310 9.315 -3.927 1.00 0.55 C ATOM 389 C SER A 25 -11.380 10.545 -3.864 1.00 0.60 C ATOM 390 O SER A 25 -11.336 11.354 -4.796 1.00 0.99 O ATOM 391 CB SER A 25 -13.595 9.573 -3.125 1.00 0.63 C ATOM 392 OG SER A 25 -14.353 10.641 -3.675 1.00 1.17 O ATOM 0 H SER A 25 -11.467 7.404 -4.165 1.00 0.41 H new ATOM 0 HA SER A 25 -12.574 9.150 -4.972 1.00 0.55 H new ATOM 0 HB2 SER A 25 -14.201 8.667 -3.108 1.00 0.63 H new ATOM 0 HB3 SER A 25 -13.338 9.804 -2.091 1.00 0.63 H new ATOM 0 HG SER A 25 -15.163 10.776 -3.141 1.00 1.17 H new ATOM 398 N ASN A 26 -10.628 10.652 -2.773 1.00 0.44 N ATOM 399 CA ASN A 26 -9.739 11.781 -2.496 1.00 0.50 C ATOM 400 C ASN A 26 -9.114 11.574 -1.125 1.00 0.43 C ATOM 401 O ASN A 26 -7.955 11.916 -0.891 1.00 0.47 O ATOM 402 CB ASN A 26 -10.503 13.112 -2.520 1.00 0.65 C ATOM 403 CG ASN A 26 -9.622 14.301 -2.173 1.00 1.42 C ATOM 404 OD1 ASN A 26 -9.511 14.691 -1.009 1.00 2.19 O ATOM 405 ND2 ASN A 26 -8.997 14.889 -3.177 1.00 2.02 N ATOM 0 H ASN A 26 -10.618 9.943 -2.040 1.00 0.44 H new ATOM 0 HA ASN A 26 -8.970 11.826 -3.267 1.00 0.50 H new ATOM 0 HB2 ASN A 26 -10.934 13.261 -3.510 1.00 0.65 H new ATOM 0 HB3 ASN A 26 -11.333 13.062 -1.815 1.00 0.65 H new ATOM 0 HD21 ASN A 26 -8.397 15.695 -3.002 1.00 2.02 H new ATOM 0 HD22 ASN A 26 -9.114 14.537 -4.127 1.00 2.02 H new ATOM 412 N GLU A 27 -9.926 11.008 -0.234 1.00 0.41 N ATOM 413 CA GLU A 27 -9.514 10.614 1.109 1.00 0.42 C ATOM 414 C GLU A 27 -8.197 9.845 1.079 1.00 0.37 C ATOM 415 O GLU A 27 -8.140 8.685 0.653 1.00 0.49 O ATOM 416 CB GLU A 27 -10.628 9.766 1.718 1.00 0.50 C ATOM 417 CG GLU A 27 -10.345 9.220 3.103 1.00 0.58 C ATOM 418 CD GLU A 27 -11.524 8.434 3.636 1.00 1.21 C ATOM 419 OE1 GLU A 27 -12.234 7.800 2.819 1.00 1.58 O ATOM 420 OE2 GLU A 27 -11.759 8.461 4.859 1.00 1.75 O ATOM 0 H GLU A 27 -10.907 10.807 -0.430 1.00 0.41 H new ATOM 0 HA GLU A 27 -9.347 11.502 1.718 1.00 0.42 H new ATOM 0 HB2 GLU A 27 -11.537 10.367 1.761 1.00 0.50 H new ATOM 0 HB3 GLU A 27 -10.831 8.929 1.050 1.00 0.50 H new ATOM 0 HG2 GLU A 27 -9.463 8.580 3.071 1.00 0.58 H new ATOM 0 HG3 GLU A 27 -10.117 10.043 3.781 1.00 0.58 H new ATOM 427 N ARG A 28 -7.146 10.495 1.551 1.00 0.33 N ATOM 428 CA ARG A 28 -5.796 9.978 1.410 1.00 0.33 C ATOM 429 C ARG A 28 -5.083 9.894 2.750 1.00 0.30 C ATOM 430 O ARG A 28 -5.047 10.856 3.512 1.00 0.36 O ATOM 431 CB ARG A 28 -4.983 10.877 0.476 1.00 0.48 C ATOM 432 CG ARG A 28 -3.552 10.406 0.257 1.00 0.72 C ATOM 433 CD ARG A 28 -3.427 9.568 -1.003 1.00 0.76 C ATOM 434 NE ARG A 28 -3.739 10.361 -2.195 1.00 1.75 N ATOM 435 CZ ARG A 28 -3.434 10.016 -3.443 1.00 2.38 C ATOM 436 NH1 ARG A 28 -2.854 8.850 -3.702 1.00 2.45 N ATOM 437 NH2 ARG A 28 -3.726 10.842 -4.440 1.00 3.31 N ATOM 0 H ARG A 28 -7.204 11.389 2.039 1.00 0.33 H new ATOM 0 HA ARG A 28 -5.876 8.974 0.994 1.00 0.33 H new ATOM 0 HB2 ARG A 28 -5.488 10.934 -0.488 1.00 0.48 H new ATOM 0 HB3 ARG A 28 -4.964 11.887 0.886 1.00 0.48 H new ATOM 0 HG2 ARG A 28 -2.891 11.270 0.188 1.00 0.72 H new ATOM 0 HG3 ARG A 28 -3.225 9.822 1.117 1.00 0.72 H new ATOM 0 HD2 ARG A 28 -2.415 9.171 -1.081 1.00 0.76 H new ATOM 0 HD3 ARG A 28 -4.101 8.713 -0.944 1.00 0.76 H new ATOM 0 HE ARG A 28 -4.228 11.246 -2.057 1.00 1.75 H new ATOM 0 HH11 ARG A 28 -2.638 8.208 -2.940 1.00 2.45 H new ATOM 0 HH12 ARG A 28 -2.625 8.597 -4.663 1.00 2.45 H new ATOM 0 HH21 ARG A 28 -4.181 11.734 -4.247 1.00 3.31 H new ATOM 0 HH22 ARG A 28 -3.495 10.585 -5.400 1.00 3.31 H new ATOM 451 N TYR A 29 -4.528 8.732 3.022 1.00 0.28 N ATOM 452 CA TYR A 29 -3.618 8.553 4.138 1.00 0.27 C ATOM 453 C TYR A 29 -2.333 7.971 3.587 1.00 0.25 C ATOM 454 O TYR A 29 -2.382 7.041 2.777 1.00 0.27 O ATOM 455 CB TYR A 29 -4.220 7.609 5.184 1.00 0.34 C ATOM 456 CG TYR A 29 -3.509 7.627 6.524 1.00 0.93 C ATOM 457 CD1 TYR A 29 -3.777 8.613 7.465 1.00 1.30 C ATOM 458 CD2 TYR A 29 -2.558 6.664 6.839 1.00 1.65 C ATOM 459 CE1 TYR A 29 -3.120 8.639 8.682 1.00 1.95 C ATOM 460 CE2 TYR A 29 -1.899 6.681 8.055 1.00 2.31 C ATOM 461 CZ TYR A 29 -2.226 7.647 8.997 1.00 2.36 C ATOM 462 OH TYR A 29 -1.522 7.695 10.185 1.00 3.09 O ATOM 0 H TYR A 29 -4.693 7.885 2.478 1.00 0.28 H new ATOM 0 HA TYR A 29 -3.431 9.508 4.628 1.00 0.27 H new ATOM 0 HB2 TYR A 29 -5.266 7.875 5.337 1.00 0.34 H new ATOM 0 HB3 TYR A 29 -4.204 6.592 4.791 1.00 0.34 H new ATOM 0 HD1 TYR A 29 -4.511 9.373 7.242 1.00 1.30 H new ATOM 0 HD2 TYR A 29 -2.330 5.889 6.122 1.00 1.65 H new ATOM 0 HE1 TYR A 29 -3.310 9.438 9.383 1.00 1.95 H new ATOM 0 HE2 TYR A 29 -1.136 5.948 8.270 1.00 2.31 H new ATOM 0 HH TYR A 29 -0.934 6.914 10.249 1.00 3.09 H new ATOM 472 N ASP A 30 -1.191 8.518 3.968 1.00 0.27 N ATOM 473 CA ASP A 30 0.062 7.953 3.506 1.00 0.30 C ATOM 474 C ASP A 30 0.385 6.733 4.366 1.00 0.25 C ATOM 475 O ASP A 30 0.481 6.801 5.592 1.00 0.34 O ATOM 476 CB ASP A 30 1.196 8.994 3.505 1.00 0.50 C ATOM 477 CG ASP A 30 1.859 9.208 4.849 1.00 1.27 C ATOM 478 OD1 ASP A 30 1.272 9.894 5.712 1.00 1.99 O ATOM 479 OD2 ASP A 30 2.995 8.714 5.035 1.00 2.01 O ATOM 0 H ASP A 30 -1.106 9.330 4.579 1.00 0.27 H new ATOM 0 HA ASP A 30 -0.037 7.638 2.467 1.00 0.30 H new ATOM 0 HB2 ASP A 30 1.955 8.684 2.786 1.00 0.50 H new ATOM 0 HB3 ASP A 30 0.796 9.946 3.156 1.00 0.50 H new ATOM 484 N LEU A 31 0.503 5.613 3.696 1.00 0.18 N ATOM 485 CA LEU A 31 0.582 4.310 4.327 1.00 0.15 C ATOM 486 C LEU A 31 1.999 3.787 4.195 1.00 0.14 C ATOM 487 O LEU A 31 2.743 4.267 3.360 1.00 0.18 O ATOM 488 CB LEU A 31 -0.434 3.373 3.668 1.00 0.15 C ATOM 489 CG LEU A 31 -1.321 2.577 4.631 1.00 0.14 C ATOM 490 CD1 LEU A 31 -0.526 1.489 5.334 1.00 0.17 C ATOM 491 CD2 LEU A 31 -1.938 3.511 5.655 1.00 0.16 C ATOM 0 H LEU A 31 0.548 5.576 2.678 1.00 0.18 H new ATOM 0 HA LEU A 31 0.341 4.375 5.388 1.00 0.15 H new ATOM 0 HB2 LEU A 31 -1.076 3.964 3.015 1.00 0.15 H new ATOM 0 HB3 LEU A 31 0.105 2.670 3.033 1.00 0.15 H new ATOM 0 HG LEU A 31 -2.112 2.100 4.052 1.00 0.14 H new ATOM 0 HD11 LEU A 31 -1.180 0.940 6.011 1.00 0.17 H new ATOM 0 HD12 LEU A 31 -0.113 0.804 4.594 1.00 0.17 H new ATOM 0 HD13 LEU A 31 0.287 1.942 5.902 1.00 0.17 H new ATOM 0 HD21 LEU A 31 -2.567 2.939 6.337 1.00 0.16 H new ATOM 0 HD22 LEU A 31 -1.147 4.005 6.220 1.00 0.16 H new ATOM 0 HD23 LEU A 31 -2.543 4.261 5.145 1.00 0.16 H new ATOM 503 N LEU A 32 2.418 2.878 5.047 1.00 0.15 N ATOM 504 CA LEU A 32 3.791 2.425 4.991 1.00 0.16 C ATOM 505 C LEU A 32 3.847 0.980 4.527 1.00 0.14 C ATOM 506 O LEU A 32 3.061 0.142 4.970 1.00 0.14 O ATOM 507 CB LEU A 32 4.477 2.655 6.348 1.00 0.19 C ATOM 508 CG LEU A 32 5.660 1.742 6.696 1.00 0.22 C ATOM 509 CD1 LEU A 32 6.630 2.479 7.598 1.00 0.52 C ATOM 510 CD2 LEU A 32 5.181 0.478 7.398 1.00 0.73 C ATOM 0 H LEU A 32 1.844 2.446 5.771 1.00 0.15 H new ATOM 0 HA LEU A 32 4.347 3.008 4.257 1.00 0.16 H new ATOM 0 HB2 LEU A 32 4.825 3.687 6.380 1.00 0.19 H new ATOM 0 HB3 LEU A 32 3.725 2.548 7.130 1.00 0.19 H new ATOM 0 HG LEU A 32 6.159 1.461 5.768 1.00 0.22 H new ATOM 0 HD11 LEU A 32 7.468 1.826 7.842 1.00 0.52 H new ATOM 0 HD12 LEU A 32 6.999 3.368 7.086 1.00 0.52 H new ATOM 0 HD13 LEU A 32 6.121 2.774 8.516 1.00 0.52 H new ATOM 0 HD21 LEU A 32 6.037 -0.153 7.635 1.00 0.73 H new ATOM 0 HD22 LEU A 32 4.663 0.747 8.319 1.00 0.73 H new ATOM 0 HD23 LEU A 32 4.499 -0.065 6.744 1.00 0.73 H new ATOM 522 N VAL A 33 4.787 0.710 3.627 1.00 0.14 N ATOM 523 CA VAL A 33 4.918 -0.599 3.001 1.00 0.14 C ATOM 524 C VAL A 33 5.320 -1.638 4.043 1.00 0.14 C ATOM 525 O VAL A 33 6.060 -1.334 4.984 1.00 0.15 O ATOM 526 CB VAL A 33 5.936 -0.563 1.819 1.00 0.17 C ATOM 527 CG1 VAL A 33 7.004 -1.647 1.937 1.00 0.98 C ATOM 528 CG2 VAL A 33 5.193 -0.702 0.502 1.00 1.15 C ATOM 0 H VAL A 33 5.478 1.391 3.312 1.00 0.14 H new ATOM 0 HA VAL A 33 3.951 -0.881 2.585 1.00 0.14 H new ATOM 0 HB VAL A 33 6.451 0.397 1.857 1.00 0.17 H new ATOM 0 HG11 VAL A 33 7.687 -1.579 1.090 1.00 0.98 H new ATOM 0 HG12 VAL A 33 7.561 -1.510 2.864 1.00 0.98 H new ATOM 0 HG13 VAL A 33 6.528 -2.628 1.941 1.00 0.98 H new ATOM 0 HG21 VAL A 33 5.906 -0.677 -0.322 1.00 1.15 H new ATOM 0 HG22 VAL A 33 4.654 -1.649 0.487 1.00 1.15 H new ATOM 0 HG23 VAL A 33 4.485 0.120 0.395 1.00 1.15 H new ATOM 538 N THR A 34 4.865 -2.869 3.850 1.00 0.14 N ATOM 539 CA THR A 34 4.819 -3.835 4.925 1.00 0.17 C ATOM 540 C THR A 34 6.173 -4.498 5.132 1.00 0.17 C ATOM 541 O THR A 34 6.726 -5.141 4.235 1.00 0.18 O ATOM 542 CB THR A 34 3.761 -4.913 4.631 1.00 0.19 C ATOM 543 OG1 THR A 34 2.517 -4.291 4.278 1.00 0.21 O ATOM 544 CG2 THR A 34 3.551 -5.816 5.838 1.00 0.23 C ATOM 0 H THR A 34 4.523 -3.217 2.954 1.00 0.14 H new ATOM 0 HA THR A 34 4.552 -3.300 5.837 1.00 0.17 H new ATOM 0 HB THR A 34 4.118 -5.522 3.800 1.00 0.19 H new ATOM 0 HG1 THR A 34 2.632 -3.773 3.454 1.00 0.21 H new ATOM 0 HG21 THR A 34 2.798 -6.569 5.603 1.00 0.23 H new ATOM 0 HG22 THR A 34 4.490 -6.308 6.092 1.00 0.23 H new ATOM 0 HG23 THR A 34 3.214 -5.219 6.685 1.00 0.23 H new ATOM 552 N PRO A 35 6.717 -4.305 6.341 1.00 0.18 N ATOM 553 CA PRO A 35 8.022 -4.826 6.741 1.00 0.20 C ATOM 554 C PRO A 35 8.069 -6.354 6.783 1.00 0.23 C ATOM 555 O PRO A 35 7.032 -7.020 6.847 1.00 0.35 O ATOM 556 CB PRO A 35 8.240 -4.233 8.134 1.00 0.27 C ATOM 557 CG PRO A 35 6.875 -3.928 8.637 1.00 0.32 C ATOM 558 CD PRO A 35 6.075 -3.545 7.429 1.00 0.22 C ATOM 0 HA PRO A 35 8.797 -4.552 6.026 1.00 0.20 H new ATOM 0 HB2 PRO A 35 8.754 -4.938 8.788 1.00 0.27 H new ATOM 0 HB3 PRO A 35 8.855 -3.334 8.089 1.00 0.27 H new ATOM 0 HG2 PRO A 35 6.439 -4.793 9.137 1.00 0.32 H new ATOM 0 HG3 PRO A 35 6.898 -3.117 9.365 1.00 0.32 H new ATOM 0 HD2 PRO A 35 5.024 -3.813 7.541 1.00 0.22 H new ATOM 0 HD3 PRO A 35 6.112 -2.471 7.246 1.00 0.22 H new ATOM 566 N GLN A 36 9.292 -6.877 6.739 1.00 0.26 N ATOM 567 CA GLN A 36 9.573 -8.308 6.653 1.00 0.29 C ATOM 568 C GLN A 36 9.339 -8.823 5.235 1.00 0.30 C ATOM 569 O GLN A 36 8.331 -9.463 4.946 1.00 0.73 O ATOM 570 CB GLN A 36 8.771 -9.116 7.679 1.00 0.42 C ATOM 571 CG GLN A 36 9.170 -8.825 9.119 1.00 0.59 C ATOM 572 CD GLN A 36 8.426 -9.691 10.115 1.00 0.98 C ATOM 573 OE1 GLN A 36 7.282 -10.084 9.885 1.00 1.69 O ATOM 574 NE2 GLN A 36 9.070 -9.993 11.232 1.00 1.72 N ATOM 0 H GLN A 36 10.135 -6.304 6.763 1.00 0.26 H new ATOM 0 HA GLN A 36 10.626 -8.447 6.896 1.00 0.29 H new ATOM 0 HB2 GLN A 36 7.710 -8.900 7.552 1.00 0.42 H new ATOM 0 HB3 GLN A 36 8.906 -10.179 7.480 1.00 0.42 H new ATOM 0 HG2 GLN A 36 10.242 -8.984 9.234 1.00 0.59 H new ATOM 0 HG3 GLN A 36 8.978 -7.775 9.341 1.00 0.59 H new ATOM 0 HE21 GLN A 36 10.017 -9.647 11.384 1.00 1.72 H new ATOM 0 HE22 GLN A 36 8.619 -10.572 11.940 1.00 1.72 H new ATOM 583 N GLN A 37 10.308 -8.533 4.370 1.00 0.33 N ATOM 584 CA GLN A 37 10.267 -8.937 2.959 1.00 0.26 C ATOM 585 C GLN A 37 11.625 -8.706 2.298 1.00 0.30 C ATOM 586 O GLN A 37 12.098 -9.518 1.509 1.00 0.74 O ATOM 587 CB GLN A 37 9.220 -8.151 2.144 1.00 0.23 C ATOM 588 CG GLN A 37 8.295 -9.049 1.330 1.00 0.26 C ATOM 589 CD GLN A 37 9.037 -10.191 0.657 1.00 0.44 C ATOM 590 OE1 GLN A 37 9.172 -11.278 1.221 1.00 1.02 O ATOM 591 NE2 GLN A 37 9.522 -9.952 -0.549 1.00 1.42 N ATOM 0 H GLN A 37 11.147 -8.011 4.624 1.00 0.33 H new ATOM 0 HA GLN A 37 9.999 -9.993 2.959 1.00 0.26 H new ATOM 0 HB2 GLN A 37 8.621 -7.544 2.823 1.00 0.23 H new ATOM 0 HB3 GLN A 37 9.734 -7.464 1.471 1.00 0.23 H new ATOM 0 HG2 GLN A 37 7.523 -9.456 1.982 1.00 0.26 H new ATOM 0 HG3 GLN A 37 7.789 -8.452 0.571 1.00 0.26 H new ATOM 0 HE21 GLN A 37 9.388 -9.038 -0.981 1.00 1.42 H new ATOM 0 HE22 GLN A 37 10.030 -10.682 -1.048 1.00 1.42 H new ATOM 600 N GLY A 38 12.245 -7.588 2.634 1.00 0.43 N ATOM 601 CA GLY A 38 13.407 -7.126 1.907 1.00 0.34 C ATOM 602 C GLY A 38 13.299 -5.644 1.697 1.00 0.38 C ATOM 603 O GLY A 38 14.205 -5.021 1.163 1.00 0.83 O ATOM 0 H GLY A 38 11.960 -6.986 3.406 1.00 0.43 H new ATOM 0 HA2 GLY A 38 14.315 -7.362 2.461 1.00 0.34 H new ATOM 0 HA3 GLY A 38 13.478 -7.637 0.947 1.00 0.34 H new ATOM 607 N ASN A 39 12.111 -5.132 2.057 1.00 0.27 N ATOM 608 CA ASN A 39 11.774 -3.703 2.122 1.00 0.22 C ATOM 609 C ASN A 39 11.628 -3.076 0.753 1.00 0.21 C ATOM 610 O ASN A 39 10.935 -2.078 0.596 1.00 0.27 O ATOM 611 CB ASN A 39 12.731 -2.900 3.025 1.00 0.29 C ATOM 612 CG ASN A 39 14.122 -2.609 2.475 1.00 0.40 C ATOM 613 OD1 ASN A 39 14.322 -2.389 1.277 1.00 1.06 O ATOM 614 ND2 ASN A 39 15.100 -2.603 3.363 1.00 1.11 N ATOM 0 H ASN A 39 11.327 -5.729 2.322 1.00 0.27 H new ATOM 0 HA ASN A 39 10.793 -3.655 2.595 1.00 0.22 H new ATOM 0 HB2 ASN A 39 12.255 -1.949 3.262 1.00 0.29 H new ATOM 0 HB3 ASN A 39 12.845 -3.442 3.964 1.00 0.29 H new ATOM 0 HD21 ASN A 39 16.057 -2.412 3.066 1.00 1.11 H new ATOM 0 HD22 ASN A 39 14.898 -2.789 4.345 1.00 1.11 H new ATOM 621 N SER A 40 12.245 -3.671 -0.236 1.00 0.24 N ATOM 622 CA SER A 40 12.135 -3.172 -1.580 1.00 0.32 C ATOM 623 C SER A 40 11.035 -3.907 -2.328 1.00 0.32 C ATOM 624 O SER A 40 10.576 -3.456 -3.361 1.00 0.50 O ATOM 625 CB SER A 40 13.464 -3.339 -2.294 1.00 0.40 C ATOM 626 OG SER A 40 14.524 -2.791 -1.520 1.00 1.42 O ATOM 0 H SER A 40 12.828 -4.502 -0.134 1.00 0.24 H new ATOM 0 HA SER A 40 11.878 -2.113 -1.549 1.00 0.32 H new ATOM 0 HB2 SER A 40 13.652 -4.396 -2.480 1.00 0.40 H new ATOM 0 HB3 SER A 40 13.425 -2.847 -3.266 1.00 0.40 H new ATOM 0 HG SER A 40 14.212 -2.631 -0.605 1.00 1.42 H new ATOM 632 N GLU A 41 10.595 -5.034 -1.790 1.00 0.24 N ATOM 633 CA GLU A 41 9.582 -5.838 -2.443 1.00 0.31 C ATOM 634 C GLU A 41 8.586 -6.278 -1.393 1.00 0.26 C ATOM 635 O GLU A 41 8.771 -7.312 -0.782 1.00 0.30 O ATOM 636 CB GLU A 41 10.216 -7.062 -3.115 1.00 0.45 C ATOM 637 CG GLU A 41 11.323 -6.721 -4.101 1.00 1.12 C ATOM 638 CD GLU A 41 12.204 -7.911 -4.414 1.00 1.32 C ATOM 639 OE1 GLU A 41 12.910 -8.382 -3.499 1.00 1.83 O ATOM 640 OE2 GLU A 41 12.211 -8.377 -5.573 1.00 1.66 O ATOM 0 H GLU A 41 10.926 -5.410 -0.902 1.00 0.24 H new ATOM 0 HA GLU A 41 9.085 -5.253 -3.217 1.00 0.31 H new ATOM 0 HB2 GLU A 41 10.619 -7.719 -2.344 1.00 0.45 H new ATOM 0 HB3 GLU A 41 9.439 -7.621 -3.636 1.00 0.45 H new ATOM 0 HG2 GLU A 41 10.881 -6.347 -5.024 1.00 1.12 H new ATOM 0 HG3 GLU A 41 11.935 -5.917 -3.692 1.00 1.12 H new ATOM 647 N PRO A 42 7.541 -5.478 -1.160 1.00 0.22 N ATOM 648 CA PRO A 42 6.562 -5.710 -0.084 1.00 0.21 C ATOM 649 C PRO A 42 5.840 -7.047 -0.207 1.00 0.20 C ATOM 650 O PRO A 42 5.880 -7.697 -1.246 1.00 0.20 O ATOM 651 CB PRO A 42 5.572 -4.557 -0.242 1.00 0.23 C ATOM 652 CG PRO A 42 6.306 -3.520 -1.014 1.00 0.26 C ATOM 653 CD PRO A 42 7.228 -4.265 -1.928 1.00 0.24 C ATOM 0 HA PRO A 42 7.049 -5.747 0.890 1.00 0.21 H new ATOM 0 HB2 PRO A 42 4.673 -4.878 -0.769 1.00 0.23 H new ATOM 0 HB3 PRO A 42 5.254 -4.175 0.728 1.00 0.23 H new ATOM 0 HG2 PRO A 42 5.617 -2.894 -1.580 1.00 0.26 H new ATOM 0 HG3 PRO A 42 6.864 -2.860 -0.350 1.00 0.26 H new ATOM 0 HD2 PRO A 42 6.751 -4.501 -2.879 1.00 0.24 H new ATOM 0 HD3 PRO A 42 8.124 -3.688 -2.156 1.00 0.24 H new ATOM 661 N VAL A 43 5.195 -7.468 0.872 1.00 0.21 N ATOM 662 CA VAL A 43 4.571 -8.782 0.916 1.00 0.22 C ATOM 663 C VAL A 43 3.272 -8.798 0.122 1.00 0.19 C ATOM 664 O VAL A 43 2.671 -7.756 -0.106 1.00 0.17 O ATOM 665 CB VAL A 43 4.268 -9.237 2.361 1.00 0.26 C ATOM 666 CG1 VAL A 43 5.540 -9.365 3.179 1.00 0.32 C ATOM 667 CG2 VAL A 43 3.295 -8.287 3.042 1.00 0.24 C ATOM 0 H VAL A 43 5.091 -6.920 1.726 1.00 0.21 H new ATOM 0 HA VAL A 43 5.288 -9.473 0.473 1.00 0.22 H new ATOM 0 HB VAL A 43 3.803 -10.221 2.300 1.00 0.26 H new ATOM 0 HG11 VAL A 43 5.291 -9.687 4.190 1.00 0.32 H new ATOM 0 HG12 VAL A 43 6.198 -10.100 2.716 1.00 0.32 H new ATOM 0 HG13 VAL A 43 6.045 -8.400 3.219 1.00 0.32 H new ATOM 0 HG21 VAL A 43 3.100 -8.632 4.057 1.00 0.24 H new ATOM 0 HG22 VAL A 43 3.726 -7.287 3.075 1.00 0.24 H new ATOM 0 HG23 VAL A 43 2.360 -8.261 2.482 1.00 0.24 H new ATOM 677 N VAL A 44 2.830 -9.988 -0.264 1.00 0.22 N ATOM 678 CA VAL A 44 1.582 -10.158 -1.014 1.00 0.22 C ATOM 679 C VAL A 44 0.415 -9.479 -0.307 1.00 0.20 C ATOM 680 O VAL A 44 -0.545 -9.067 -0.934 1.00 0.25 O ATOM 681 CB VAL A 44 1.241 -11.647 -1.238 1.00 0.27 C ATOM 682 CG1 VAL A 44 1.999 -12.197 -2.434 1.00 0.36 C ATOM 683 CG2 VAL A 44 1.554 -12.462 0.009 1.00 0.36 C ATOM 0 H VAL A 44 3.320 -10.861 -0.070 1.00 0.22 H new ATOM 0 HA VAL A 44 1.740 -9.687 -1.984 1.00 0.22 H new ATOM 0 HB VAL A 44 0.173 -11.724 -1.442 1.00 0.27 H new ATOM 0 HG11 VAL A 44 1.744 -13.248 -2.574 1.00 0.36 H new ATOM 0 HG12 VAL A 44 1.726 -11.635 -3.327 1.00 0.36 H new ATOM 0 HG13 VAL A 44 3.071 -12.104 -2.260 1.00 0.36 H new ATOM 0 HG21 VAL A 44 1.307 -13.509 -0.169 1.00 0.36 H new ATOM 0 HG22 VAL A 44 2.615 -12.375 0.244 1.00 0.36 H new ATOM 0 HG23 VAL A 44 0.965 -12.087 0.846 1.00 0.36 H new ATOM 693 N GLN A 45 0.502 -9.425 1.010 1.00 0.19 N ATOM 694 CA GLN A 45 -0.507 -8.795 1.856 1.00 0.19 C ATOM 695 C GLN A 45 -0.537 -7.274 1.675 1.00 0.16 C ATOM 696 O GLN A 45 -1.588 -6.645 1.768 1.00 0.19 O ATOM 697 CB GLN A 45 -0.262 -9.139 3.328 1.00 0.25 C ATOM 698 CG GLN A 45 -0.252 -10.633 3.601 1.00 0.62 C ATOM 699 CD GLN A 45 -0.106 -10.969 5.074 1.00 0.89 C ATOM 700 OE1 GLN A 45 -0.595 -12.000 5.534 1.00 1.66 O ATOM 701 NE2 GLN A 45 0.568 -10.108 5.824 1.00 1.44 N ATOM 0 H GLN A 45 1.283 -9.821 1.533 1.00 0.19 H new ATOM 0 HA GLN A 45 -1.476 -9.187 1.549 1.00 0.19 H new ATOM 0 HB2 GLN A 45 0.692 -8.713 3.640 1.00 0.25 H new ATOM 0 HB3 GLN A 45 -1.035 -8.670 3.937 1.00 0.25 H new ATOM 0 HG2 GLN A 45 -1.176 -11.071 3.225 1.00 0.62 H new ATOM 0 HG3 GLN A 45 0.567 -11.092 3.047 1.00 0.62 H new ATOM 0 HE21 GLN A 45 0.959 -9.264 5.405 1.00 1.44 H new ATOM 0 HE22 GLN A 45 0.696 -10.290 6.819 1.00 1.44 H new ATOM 710 N ASP A 46 0.635 -6.706 1.385 1.00 0.15 N ATOM 711 CA ASP A 46 0.891 -5.270 1.520 1.00 0.14 C ATOM 712 C ASP A 46 -0.088 -4.406 0.727 1.00 0.14 C ATOM 713 O ASP A 46 -0.548 -3.383 1.222 1.00 0.15 O ATOM 714 CB ASP A 46 2.314 -4.964 1.051 1.00 0.17 C ATOM 715 CG ASP A 46 2.579 -3.484 0.898 1.00 0.14 C ATOM 716 OD1 ASP A 46 2.980 -2.843 1.900 1.00 0.16 O ATOM 717 OD2 ASP A 46 2.374 -2.963 -0.214 1.00 0.17 O ATOM 0 H ASP A 46 1.440 -7.234 1.047 1.00 0.15 H new ATOM 0 HA ASP A 46 0.759 -5.024 2.574 1.00 0.14 H new ATOM 0 HB2 ASP A 46 3.024 -5.383 1.764 1.00 0.17 H new ATOM 0 HB3 ASP A 46 2.491 -5.460 0.097 1.00 0.17 H new ATOM 722 N LEU A 47 -0.420 -4.821 -0.487 1.00 0.18 N ATOM 723 CA LEU A 47 -1.262 -4.027 -1.348 1.00 0.22 C ATOM 724 C LEU A 47 -2.627 -3.782 -0.703 1.00 0.19 C ATOM 725 O LEU A 47 -3.138 -2.657 -0.691 1.00 0.22 O ATOM 726 CB LEU A 47 -1.399 -4.745 -2.698 1.00 0.28 C ATOM 727 CG LEU A 47 -2.492 -5.828 -2.814 1.00 0.62 C ATOM 728 CD1 LEU A 47 -2.604 -6.319 -4.238 1.00 1.07 C ATOM 729 CD2 LEU A 47 -2.209 -7.006 -1.905 1.00 1.01 C ATOM 0 H LEU A 47 -0.115 -5.706 -0.892 1.00 0.18 H new ATOM 0 HA LEU A 47 -0.808 -3.049 -1.507 1.00 0.22 H new ATOM 0 HB2 LEU A 47 -1.587 -3.992 -3.463 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -0.440 -5.206 -2.934 1.00 0.28 H new ATOM 0 HG LEU A 47 -3.432 -5.369 -2.508 1.00 0.62 H new ATOM 0 HD11 LEU A 47 -3.380 -7.082 -4.300 1.00 1.07 H new ATOM 0 HD12 LEU A 47 -2.862 -5.485 -4.891 1.00 1.07 H new ATOM 0 HD13 LEU A 47 -1.651 -6.744 -4.552 1.00 1.07 H new ATOM 0 HD21 LEU A 47 -3.000 -7.748 -2.014 1.00 1.01 H new ATOM 0 HD22 LEU A 47 -1.252 -7.453 -2.176 1.00 1.01 H new ATOM 0 HD23 LEU A 47 -2.171 -6.666 -0.870 1.00 1.01 H new ATOM 741 N ALA A 48 -3.186 -4.838 -0.138 1.00 0.18 N ATOM 742 CA ALA A 48 -4.435 -4.761 0.578 1.00 0.17 C ATOM 743 C ALA A 48 -4.231 -4.002 1.865 1.00 0.14 C ATOM 744 O ALA A 48 -5.044 -3.173 2.249 1.00 0.16 O ATOM 745 CB ALA A 48 -4.952 -6.157 0.868 1.00 0.19 C ATOM 0 H ALA A 48 -2.780 -5.773 -0.166 1.00 0.18 H new ATOM 0 HA ALA A 48 -5.171 -4.237 -0.032 1.00 0.17 H new ATOM 0 HB1 ALA A 48 -5.896 -6.090 1.409 1.00 0.19 H new ATOM 0 HB2 ALA A 48 -5.108 -6.689 -0.070 1.00 0.19 H new ATOM 0 HB3 ALA A 48 -4.224 -6.696 1.474 1.00 0.19 H new ATOM 751 N GLN A 49 -3.087 -4.264 2.476 1.00 0.13 N ATOM 752 CA GLN A 49 -2.761 -3.752 3.792 1.00 0.13 C ATOM 753 C GLN A 49 -2.770 -2.245 3.814 1.00 0.12 C ATOM 754 O GLN A 49 -3.343 -1.621 4.703 1.00 0.13 O ATOM 755 CB GLN A 49 -1.357 -4.217 4.174 1.00 0.15 C ATOM 756 CG GLN A 49 -0.839 -3.630 5.474 1.00 0.20 C ATOM 757 CD GLN A 49 -1.106 -4.528 6.669 1.00 0.33 C ATOM 758 OE1 GLN A 49 -0.338 -4.543 7.632 1.00 0.94 O ATOM 759 NE2 GLN A 49 -2.203 -5.272 6.628 1.00 1.35 N ATOM 0 H GLN A 49 -2.354 -4.843 2.067 1.00 0.13 H new ATOM 0 HA GLN A 49 -3.509 -4.124 4.492 1.00 0.13 H new ATOM 0 HB2 GLN A 49 -1.356 -5.304 4.253 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -0.669 -3.955 3.370 1.00 0.15 H new ATOM 0 HG2 GLN A 49 0.234 -3.456 5.388 1.00 0.20 H new ATOM 0 HG3 GLN A 49 -1.307 -2.660 5.642 1.00 0.20 H new ATOM 0 HE21 GLN A 49 -2.815 -5.233 5.813 1.00 1.35 H new ATOM 0 HE22 GLN A 49 -2.434 -5.883 7.411 1.00 1.35 H new ATOM 768 N LEU A 50 -2.121 -1.680 2.832 1.00 0.12 N ATOM 769 CA LEU A 50 -1.980 -0.242 2.742 1.00 0.12 C ATOM 770 C LEU A 50 -3.351 0.431 2.652 1.00 0.12 C ATOM 771 O LEU A 50 -3.698 1.315 3.453 1.00 0.13 O ATOM 772 CB LEU A 50 -1.153 0.083 1.513 1.00 0.12 C ATOM 773 CG LEU A 50 0.284 -0.463 1.521 1.00 0.11 C ATOM 774 CD1 LEU A 50 0.940 -0.254 0.170 1.00 0.12 C ATOM 775 CD2 LEU A 50 1.090 0.199 2.618 1.00 0.13 C ATOM 0 H LEU A 50 -1.675 -2.195 2.073 1.00 0.12 H new ATOM 0 HA LEU A 50 -1.483 0.134 3.636 1.00 0.12 H new ATOM 0 HB2 LEU A 50 -1.668 -0.309 0.636 1.00 0.12 H new ATOM 0 HB3 LEU A 50 -1.111 1.166 1.400 1.00 0.12 H new ATOM 0 HG LEU A 50 0.249 -1.534 1.718 1.00 0.11 H new ATOM 0 HD11 LEU A 50 1.957 -0.647 0.195 1.00 0.12 H new ATOM 0 HD12 LEU A 50 0.368 -0.776 -0.597 1.00 0.12 H new ATOM 0 HD13 LEU A 50 0.968 0.811 -0.060 1.00 0.12 H new ATOM 0 HD21 LEU A 50 2.106 -0.197 2.613 1.00 0.13 H new ATOM 0 HD22 LEU A 50 1.119 1.275 2.449 1.00 0.13 H new ATOM 0 HD23 LEU A 50 0.626 -0.004 3.583 1.00 0.13 H new ATOM 787 N VAL A 51 -4.143 -0.040 1.709 1.00 0.11 N ATOM 788 CA VAL A 51 -5.491 0.457 1.508 1.00 0.10 C ATOM 789 C VAL A 51 -6.350 0.211 2.755 1.00 0.10 C ATOM 790 O VAL A 51 -7.178 1.051 3.114 1.00 0.10 O ATOM 791 CB VAL A 51 -6.078 -0.199 0.257 1.00 0.11 C ATOM 792 CG1 VAL A 51 -7.354 -0.952 0.538 1.00 0.21 C ATOM 793 CG2 VAL A 51 -6.286 0.855 -0.806 1.00 0.18 C ATOM 0 H VAL A 51 -3.871 -0.778 1.060 1.00 0.11 H new ATOM 0 HA VAL A 51 -5.474 1.536 1.353 1.00 0.10 H new ATOM 0 HB VAL A 51 -5.366 -0.943 -0.100 1.00 0.11 H new ATOM 0 HG11 VAL A 51 -7.725 -1.396 -0.386 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -7.159 -1.739 1.267 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -8.101 -0.266 0.936 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -6.704 0.393 -1.700 1.00 0.18 H new ATOM 0 HG22 VAL A 51 -6.974 1.615 -0.435 1.00 0.18 H new ATOM 0 HG23 VAL A 51 -5.330 1.319 -1.051 1.00 0.18 H new ATOM 803 N GLU A 52 -6.110 -0.918 3.438 1.00 0.11 N ATOM 804 CA GLU A 52 -6.826 -1.228 4.674 1.00 0.12 C ATOM 805 C GLU A 52 -6.461 -0.242 5.773 1.00 0.13 C ATOM 806 O GLU A 52 -7.319 0.382 6.396 1.00 0.16 O ATOM 807 CB GLU A 52 -6.446 -2.609 5.227 1.00 0.17 C ATOM 808 CG GLU A 52 -6.938 -3.806 4.447 1.00 0.50 C ATOM 809 CD GLU A 52 -6.683 -5.097 5.201 1.00 0.53 C ATOM 810 OE1 GLU A 52 -5.546 -5.612 5.133 1.00 0.74 O ATOM 811 OE2 GLU A 52 -7.622 -5.613 5.843 1.00 0.74 O ATOM 0 H GLU A 52 -5.430 -1.624 3.154 1.00 0.11 H new ATOM 0 HA GLU A 52 -7.884 -1.186 4.417 1.00 0.12 H new ATOM 0 HB2 GLU A 52 -5.359 -2.665 5.288 1.00 0.17 H new ATOM 0 HB3 GLU A 52 -6.827 -2.685 6.245 1.00 0.17 H new ATOM 0 HG2 GLU A 52 -8.005 -3.701 4.251 1.00 0.50 H new ATOM 0 HG3 GLU A 52 -6.438 -3.843 3.479 1.00 0.50 H new ATOM 818 N GLU A 53 -5.159 -0.087 5.970 1.00 0.13 N ATOM 819 CA GLU A 53 -4.622 0.553 7.160 1.00 0.15 C ATOM 820 C GLU A 53 -4.848 2.054 7.141 1.00 0.16 C ATOM 821 O GLU A 53 -4.860 2.694 8.192 1.00 0.19 O ATOM 822 CB GLU A 53 -3.134 0.220 7.317 1.00 0.19 C ATOM 823 CG GLU A 53 -2.518 0.761 8.597 1.00 0.24 C ATOM 824 CD GLU A 53 -1.167 0.154 8.899 1.00 0.84 C ATOM 825 OE1 GLU A 53 -1.103 -1.069 9.126 1.00 1.32 O ATOM 826 OE2 GLU A 53 -0.159 0.891 8.894 1.00 1.51 O ATOM 0 H GLU A 53 -4.448 -0.401 5.310 1.00 0.13 H new ATOM 0 HA GLU A 53 -5.158 0.160 8.024 1.00 0.15 H new ATOM 0 HB2 GLU A 53 -3.009 -0.863 7.293 1.00 0.19 H new ATOM 0 HB3 GLU A 53 -2.589 0.623 6.463 1.00 0.19 H new ATOM 0 HG2 GLU A 53 -2.415 1.843 8.516 1.00 0.24 H new ATOM 0 HG3 GLU A 53 -3.193 0.566 9.430 1.00 0.24 H new ATOM 833 N ALA A 54 -5.051 2.610 5.952 1.00 0.16 N ATOM 834 CA ALA A 54 -5.236 4.048 5.822 1.00 0.18 C ATOM 835 C ALA A 54 -6.374 4.549 6.712 1.00 0.21 C ATOM 836 O ALA A 54 -6.222 5.546 7.415 1.00 0.30 O ATOM 837 CB ALA A 54 -5.504 4.410 4.370 1.00 0.24 C ATOM 0 H ALA A 54 -5.091 2.093 5.074 1.00 0.16 H new ATOM 0 HA ALA A 54 -4.318 4.536 6.150 1.00 0.18 H new ATOM 0 HB1 ALA A 54 -5.641 5.488 4.283 1.00 0.24 H new ATOM 0 HB2 ALA A 54 -4.658 4.101 3.756 1.00 0.24 H new ATOM 0 HB3 ALA A 54 -6.405 3.901 4.029 1.00 0.24 H new ATOM 843 N THR A 55 -7.517 3.877 6.678 1.00 0.25 N ATOM 844 CA THR A 55 -8.604 4.213 7.590 1.00 0.33 C ATOM 845 C THR A 55 -8.919 3.078 8.568 1.00 0.29 C ATOM 846 O THR A 55 -9.837 3.189 9.380 1.00 0.39 O ATOM 847 CB THR A 55 -9.867 4.605 6.812 1.00 0.51 C ATOM 848 OG1 THR A 55 -9.973 3.797 5.641 1.00 1.14 O ATOM 849 CG2 THR A 55 -9.836 6.074 6.423 1.00 1.66 C ATOM 0 H THR A 55 -7.715 3.107 6.039 1.00 0.25 H new ATOM 0 HA THR A 55 -8.266 5.066 8.178 1.00 0.33 H new ATOM 0 HB THR A 55 -10.733 4.442 7.453 1.00 0.51 H new ATOM 0 HG1 THR A 55 -9.326 4.104 4.972 1.00 1.14 H new ATOM 0 HG21 THR A 55 -10.743 6.324 5.873 1.00 1.66 H new ATOM 0 HG22 THR A 55 -9.776 6.687 7.322 1.00 1.66 H new ATOM 0 HG23 THR A 55 -8.966 6.266 5.795 1.00 1.66 H new ATOM 857 N GLY A 56 -8.165 1.984 8.488 1.00 0.25 N ATOM 858 CA GLY A 56 -8.411 0.849 9.366 1.00 0.26 C ATOM 859 C GLY A 56 -9.571 -0.001 8.884 1.00 0.29 C ATOM 860 O GLY A 56 -10.153 -0.774 9.647 1.00 0.34 O ATOM 0 H GLY A 56 -7.391 1.862 7.835 1.00 0.25 H new ATOM 0 HA2 GLY A 56 -7.512 0.235 9.426 1.00 0.26 H new ATOM 0 HA3 GLY A 56 -8.619 1.209 10.374 1.00 0.26 H new ATOM 864 N VAL A 57 -9.891 0.142 7.610 1.00 0.30 N ATOM 865 CA VAL A 57 -11.053 -0.499 7.014 1.00 0.36 C ATOM 866 C VAL A 57 -10.732 -1.926 6.552 1.00 0.29 C ATOM 867 O VAL A 57 -9.658 -2.191 6.014 1.00 0.26 O ATOM 868 CB VAL A 57 -11.586 0.363 5.840 1.00 0.50 C ATOM 869 CG1 VAL A 57 -10.437 0.921 5.022 1.00 1.62 C ATOM 870 CG2 VAL A 57 -12.536 -0.419 4.946 1.00 1.33 C ATOM 0 H VAL A 57 -9.351 0.708 6.956 1.00 0.30 H new ATOM 0 HA VAL A 57 -11.831 -0.576 7.773 1.00 0.36 H new ATOM 0 HB VAL A 57 -12.147 1.190 6.276 1.00 0.50 H new ATOM 0 HG11 VAL A 57 -10.832 1.523 4.203 1.00 1.62 H new ATOM 0 HG12 VAL A 57 -9.806 1.542 5.658 1.00 1.62 H new ATOM 0 HG13 VAL A 57 -9.846 0.099 4.616 1.00 1.62 H new ATOM 0 HG21 VAL A 57 -12.885 0.223 4.137 1.00 1.33 H new ATOM 0 HG22 VAL A 57 -12.015 -1.280 4.527 1.00 1.33 H new ATOM 0 HG23 VAL A 57 -13.389 -0.761 5.532 1.00 1.33 H new ATOM 880 N PRO A 58 -11.665 -2.865 6.802 1.00 0.32 N ATOM 881 CA PRO A 58 -11.520 -4.286 6.437 1.00 0.34 C ATOM 882 C PRO A 58 -11.503 -4.542 4.938 1.00 0.31 C ATOM 883 O PRO A 58 -12.088 -3.773 4.172 1.00 0.27 O ATOM 884 CB PRO A 58 -12.775 -4.932 7.020 1.00 0.39 C ATOM 885 CG PRO A 58 -13.753 -3.813 7.055 1.00 0.39 C ATOM 886 CD PRO A 58 -12.953 -2.621 7.474 1.00 0.37 C ATOM 0 HA PRO A 58 -10.572 -4.675 6.809 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -13.128 -5.755 6.400 1.00 0.39 H new ATOM 0 HB3 PRO A 58 -12.593 -5.338 8.015 1.00 0.39 H new ATOM 0 HG2 PRO A 58 -14.212 -3.658 6.079 1.00 0.39 H new ATOM 0 HG3 PRO A 58 -14.561 -4.015 7.759 1.00 0.39 H new ATOM 0 HD2 PRO A 58 -13.412 -1.687 7.150 1.00 0.37 H new ATOM 0 HD3 PRO A 58 -12.844 -2.563 8.557 1.00 0.37 H new ATOM 894 N LEU A 59 -10.879 -5.642 4.532 1.00 0.35 N ATOM 895 CA LEU A 59 -10.701 -5.971 3.116 1.00 0.36 C ATOM 896 C LEU A 59 -11.983 -5.820 2.270 1.00 0.36 C ATOM 897 O LEU A 59 -11.934 -5.185 1.217 1.00 0.37 O ATOM 898 CB LEU A 59 -10.183 -7.407 2.982 1.00 0.45 C ATOM 899 CG LEU A 59 -8.783 -7.653 3.544 1.00 1.21 C ATOM 900 CD1 LEU A 59 -8.493 -9.141 3.622 1.00 1.79 C ATOM 901 CD2 LEU A 59 -7.745 -6.962 2.680 1.00 2.08 C ATOM 0 H LEU A 59 -10.482 -6.331 5.170 1.00 0.35 H new ATOM 0 HA LEU A 59 -9.981 -5.251 2.728 1.00 0.36 H new ATOM 0 HB2 LEU A 59 -10.881 -8.076 3.486 1.00 0.45 H new ATOM 0 HB3 LEU A 59 -10.186 -7.679 1.927 1.00 0.45 H new ATOM 0 HG LEU A 59 -8.737 -7.239 4.551 1.00 1.21 H new ATOM 0 HD11 LEU A 59 -7.492 -9.296 4.024 1.00 1.79 H new ATOM 0 HD12 LEU A 59 -9.224 -9.621 4.273 1.00 1.79 H new ATOM 0 HD13 LEU A 59 -8.555 -9.576 2.625 1.00 1.79 H new ATOM 0 HD21 LEU A 59 -6.751 -7.144 3.090 1.00 2.08 H new ATOM 0 HD22 LEU A 59 -7.797 -7.355 1.665 1.00 2.08 H new ATOM 0 HD23 LEU A 59 -7.940 -5.890 2.664 1.00 2.08 H new ATOM 913 N PRO A 60 -13.156 -6.338 2.716 1.00 0.38 N ATOM 914 CA PRO A 60 -14.358 -6.387 1.868 1.00 0.41 C ATOM 915 C PRO A 60 -14.925 -5.007 1.547 1.00 0.38 C ATOM 916 O PRO A 60 -15.582 -4.817 0.521 1.00 0.46 O ATOM 917 CB PRO A 60 -15.361 -7.198 2.696 1.00 0.47 C ATOM 918 CG PRO A 60 -14.541 -7.865 3.742 1.00 0.52 C ATOM 919 CD PRO A 60 -13.439 -6.903 4.045 1.00 0.42 C ATOM 0 HA PRO A 60 -14.133 -6.825 0.896 1.00 0.41 H new ATOM 0 HB2 PRO A 60 -16.120 -6.554 3.140 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -15.884 -7.928 2.079 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -15.134 -8.078 4.631 1.00 0.52 H new ATOM 0 HG3 PRO A 60 -14.147 -8.817 3.386 1.00 0.52 H new ATOM 0 HD2 PRO A 60 -13.749 -6.138 4.757 1.00 0.42 H new ATOM 0 HD3 PRO A 60 -12.568 -7.401 4.471 1.00 0.42 H new ATOM 927 N PHE A 61 -14.648 -4.040 2.410 1.00 0.33 N ATOM 928 CA PHE A 61 -15.218 -2.708 2.265 1.00 0.34 C ATOM 929 C PHE A 61 -14.454 -1.873 1.252 1.00 0.28 C ATOM 930 O PHE A 61 -14.972 -0.887 0.728 1.00 0.31 O ATOM 931 CB PHE A 61 -15.234 -1.994 3.608 1.00 0.37 C ATOM 932 CG PHE A 61 -16.544 -2.116 4.329 1.00 0.44 C ATOM 933 CD1 PHE A 61 -17.616 -1.315 3.972 1.00 0.66 C ATOM 934 CD2 PHE A 61 -16.706 -3.029 5.358 1.00 0.45 C ATOM 935 CE1 PHE A 61 -18.828 -1.424 4.626 1.00 0.77 C ATOM 936 CE2 PHE A 61 -17.916 -3.142 6.016 1.00 0.56 C ATOM 937 CZ PHE A 61 -18.978 -2.337 5.650 1.00 0.68 C ATOM 0 H PHE A 61 -14.033 -4.152 3.216 1.00 0.33 H new ATOM 0 HA PHE A 61 -16.238 -2.828 1.901 1.00 0.34 H new ATOM 0 HB2 PHE A 61 -14.442 -2.400 4.237 1.00 0.37 H new ATOM 0 HB3 PHE A 61 -15.009 -0.939 3.453 1.00 0.37 H new ATOM 0 HD1 PHE A 61 -17.503 -0.597 3.173 1.00 0.66 H new ATOM 0 HD2 PHE A 61 -15.878 -3.659 5.649 1.00 0.45 H new ATOM 0 HE1 PHE A 61 -19.657 -0.795 4.336 1.00 0.77 H new ATOM 0 HE2 PHE A 61 -18.032 -3.859 6.816 1.00 0.56 H new ATOM 0 HZ PHE A 61 -19.924 -2.422 6.164 1.00 0.68 H new ATOM 947 N GLN A 62 -13.235 -2.271 0.956 1.00 0.22 N ATOM 948 CA GLN A 62 -12.443 -1.547 -0.012 1.00 0.19 C ATOM 949 C GLN A 62 -12.133 -2.411 -1.211 1.00 0.19 C ATOM 950 O GLN A 62 -11.891 -3.608 -1.092 1.00 0.33 O ATOM 951 CB GLN A 62 -11.131 -1.048 0.581 1.00 0.19 C ATOM 952 CG GLN A 62 -10.247 -2.146 1.120 1.00 0.25 C ATOM 953 CD GLN A 62 -9.750 -1.842 2.502 1.00 0.40 C ATOM 954 OE1 GLN A 62 -9.547 -0.691 2.852 1.00 0.96 O ATOM 955 NE2 GLN A 62 -9.548 -2.872 3.290 1.00 0.29 N ATOM 0 H GLN A 62 -12.776 -3.083 1.367 1.00 0.22 H new ATOM 0 HA GLN A 62 -13.040 -0.688 -0.317 1.00 0.19 H new ATOM 0 HB2 GLN A 62 -10.584 -0.497 -0.184 1.00 0.19 H new ATOM 0 HB3 GLN A 62 -11.351 -0.345 1.384 1.00 0.19 H new ATOM 0 HG2 GLN A 62 -10.802 -3.084 1.133 1.00 0.25 H new ATOM 0 HG3 GLN A 62 -9.397 -2.287 0.452 1.00 0.25 H new ATOM 0 HE21 GLN A 62 -9.732 -3.817 2.952 1.00 0.29 H new ATOM 0 HE22 GLN A 62 -9.207 -2.728 4.240 1.00 0.29 H new ATOM 964 N LYS A 63 -12.157 -1.804 -2.372 1.00 0.19 N ATOM 965 CA LYS A 63 -11.648 -2.454 -3.552 1.00 0.18 C ATOM 966 C LYS A 63 -10.351 -1.771 -3.945 1.00 0.13 C ATOM 967 O LYS A 63 -10.353 -0.790 -4.687 1.00 0.14 O ATOM 968 CB LYS A 63 -12.670 -2.411 -4.689 1.00 0.26 C ATOM 969 CG LYS A 63 -14.020 -3.011 -4.312 1.00 1.14 C ATOM 970 CD LYS A 63 -13.887 -4.452 -3.839 1.00 1.68 C ATOM 971 CE LYS A 63 -15.228 -5.030 -3.409 1.00 2.52 C ATOM 972 NZ LYS A 63 -15.827 -4.283 -2.269 1.00 3.15 N ATOM 0 H LYS A 63 -12.522 -0.864 -2.524 1.00 0.19 H new ATOM 0 HA LYS A 63 -11.459 -3.507 -3.345 1.00 0.18 H new ATOM 0 HB2 LYS A 63 -12.814 -1.376 -4.999 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -12.269 -2.948 -5.549 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -14.477 -2.411 -3.525 1.00 1.14 H new ATOM 0 HG3 LYS A 63 -14.688 -2.971 -5.172 1.00 1.14 H new ATOM 0 HD2 LYS A 63 -13.469 -5.061 -4.640 1.00 1.68 H new ATOM 0 HD3 LYS A 63 -13.187 -4.498 -3.005 1.00 1.68 H new ATOM 0 HE2 LYS A 63 -15.916 -5.012 -4.254 1.00 2.52 H new ATOM 0 HE3 LYS A 63 -15.097 -6.075 -3.127 1.00 2.52 H new ATOM 0 HZ1 LYS A 63 -15.955 -4.926 -1.462 1.00 3.15 H new ATOM 0 HZ2 LYS A 63 -15.195 -3.504 -1.994 1.00 3.15 H new ATOM 0 HZ3 LYS A 63 -16.750 -3.896 -2.554 1.00 3.15 H new ATOM 986 N LEU A 64 -9.244 -2.289 -3.425 1.00 0.12 N ATOM 987 CA LEU A 64 -7.946 -1.685 -3.634 1.00 0.10 C ATOM 988 C LEU A 64 -7.455 -2.033 -5.019 1.00 0.12 C ATOM 989 O LEU A 64 -7.324 -3.208 -5.378 1.00 0.14 O ATOM 990 CB LEU A 64 -6.952 -2.154 -2.538 1.00 0.11 C ATOM 991 CG LEU A 64 -5.442 -1.935 -2.788 1.00 0.13 C ATOM 992 CD1 LEU A 64 -4.828 -3.075 -3.582 1.00 0.48 C ATOM 993 CD2 LEU A 64 -5.181 -0.622 -3.495 1.00 0.51 C ATOM 0 H LEU A 64 -9.227 -3.133 -2.852 1.00 0.12 H new ATOM 0 HA LEU A 64 -8.024 -0.600 -3.558 1.00 0.10 H new ATOM 0 HB2 LEU A 64 -7.214 -1.646 -1.610 1.00 0.11 H new ATOM 0 HB3 LEU A 64 -7.113 -3.220 -2.375 1.00 0.11 H new ATOM 0 HG LEU A 64 -4.968 -1.905 -1.807 1.00 0.13 H new ATOM 0 HD11 LEU A 64 -3.766 -2.881 -3.735 1.00 0.48 H new ATOM 0 HD12 LEU A 64 -4.951 -4.008 -3.033 1.00 0.48 H new ATOM 0 HD13 LEU A 64 -5.326 -3.155 -4.549 1.00 0.48 H new ATOM 0 HD21 LEU A 64 -4.109 -0.501 -3.654 1.00 0.51 H new ATOM 0 HD22 LEU A 64 -5.694 -0.619 -4.457 1.00 0.51 H new ATOM 0 HD23 LEU A 64 -5.552 0.201 -2.883 1.00 0.51 H new ATOM 1005 N ILE A 65 -7.248 -0.978 -5.787 1.00 0.12 N ATOM 1006 CA ILE A 65 -6.664 -1.049 -7.102 1.00 0.14 C ATOM 1007 C ILE A 65 -5.482 -0.096 -7.169 1.00 0.15 C ATOM 1008 O ILE A 65 -5.649 1.126 -7.082 1.00 0.16 O ATOM 1009 CB ILE A 65 -7.686 -0.582 -8.136 1.00 0.16 C ATOM 1010 CG1 ILE A 65 -8.970 -1.411 -8.042 1.00 0.17 C ATOM 1011 CG2 ILE A 65 -7.100 -0.643 -9.541 1.00 0.20 C ATOM 1012 CD1 ILE A 65 -10.076 -0.927 -8.952 1.00 1.20 C ATOM 0 H ILE A 65 -7.489 -0.029 -5.501 1.00 0.12 H new ATOM 0 HA ILE A 65 -6.354 -2.075 -7.302 1.00 0.14 H new ATOM 0 HB ILE A 65 -7.938 0.456 -7.921 1.00 0.16 H new ATOM 0 HG12 ILE A 65 -8.740 -2.449 -8.285 1.00 0.17 H new ATOM 0 HG13 ILE A 65 -9.327 -1.396 -7.012 1.00 0.17 H new ATOM 0 HG21 ILE A 65 -7.846 -0.306 -10.261 1.00 0.20 H new ATOM 0 HG22 ILE A 65 -6.223 0.002 -9.598 1.00 0.20 H new ATOM 0 HG23 ILE A 65 -6.812 -1.669 -9.771 1.00 0.20 H new ATOM 0 HD11 ILE A 65 -10.952 -1.563 -8.830 1.00 1.20 H new ATOM 0 HD12 ILE A 65 -10.335 0.100 -8.696 1.00 1.20 H new ATOM 0 HD13 ILE A 65 -9.739 -0.969 -9.988 1.00 1.20 H new ATOM 1024 N PHE A 66 -4.294 -0.647 -7.221 1.00 0.17 N ATOM 1025 CA PHE A 66 -3.100 0.117 -7.503 1.00 0.18 C ATOM 1026 C PHE A 66 -1.942 -0.800 -7.795 1.00 0.20 C ATOM 1027 O PHE A 66 -1.966 -1.952 -7.371 1.00 0.20 O ATOM 1028 CB PHE A 66 -2.765 1.159 -6.469 1.00 0.19 C ATOM 1029 CG PHE A 66 -2.710 2.534 -7.086 1.00 0.23 C ATOM 1030 CD1 PHE A 66 -1.863 2.789 -8.153 1.00 0.45 C ATOM 1031 CD2 PHE A 66 -3.515 3.560 -6.622 1.00 0.25 C ATOM 1032 CE1 PHE A 66 -1.820 4.037 -8.740 1.00 0.51 C ATOM 1033 CE2 PHE A 66 -3.474 4.812 -7.202 1.00 0.28 C ATOM 1034 CZ PHE A 66 -2.627 5.050 -8.265 1.00 0.36 C ATOM 0 H PHE A 66 -4.126 -1.641 -7.069 1.00 0.17 H new ATOM 0 HA PHE A 66 -3.316 0.698 -8.400 1.00 0.18 H new ATOM 0 HB2 PHE A 66 -3.512 1.142 -5.675 1.00 0.19 H new ATOM 0 HB3 PHE A 66 -1.805 0.924 -6.009 1.00 0.19 H new ATOM 0 HD1 PHE A 66 -1.228 2.001 -8.530 1.00 0.45 H new ATOM 0 HD2 PHE A 66 -4.185 3.378 -5.794 1.00 0.25 H new ATOM 0 HE1 PHE A 66 -1.155 4.221 -9.571 1.00 0.51 H new ATOM 0 HE2 PHE A 66 -4.104 5.604 -6.824 1.00 0.28 H new ATOM 0 HZ PHE A 66 -2.596 6.027 -8.724 1.00 0.36 H new ATOM 1044 N LYS A 67 -1.004 -0.337 -8.608 1.00 0.22 N ATOM 1045 CA LYS A 67 0.224 -1.080 -8.928 1.00 0.25 C ATOM 1046 C LYS A 67 -0.099 -2.349 -9.696 1.00 0.28 C ATOM 1047 O LYS A 67 0.598 -3.362 -9.583 1.00 0.32 O ATOM 1048 CB LYS A 67 1.118 -1.423 -7.684 1.00 0.25 C ATOM 1049 CG LYS A 67 0.475 -1.435 -6.275 1.00 0.18 C ATOM 1050 CD LYS A 67 1.466 -1.977 -5.233 1.00 0.21 C ATOM 1051 CE LYS A 67 0.856 -2.120 -3.840 1.00 0.18 C ATOM 1052 NZ LYS A 67 1.874 -1.961 -2.751 1.00 0.19 N ATOM 0 H LYS A 67 -1.066 0.570 -9.071 1.00 0.22 H new ATOM 0 HA LYS A 67 0.813 -0.404 -9.548 1.00 0.25 H new ATOM 0 HB2 LYS A 67 1.555 -2.407 -7.854 1.00 0.25 H new ATOM 0 HB3 LYS A 67 1.941 -0.708 -7.664 1.00 0.25 H new ATOM 0 HG2 LYS A 67 0.167 -0.426 -6.001 1.00 0.18 H new ATOM 0 HG3 LYS A 67 -0.424 -2.051 -6.285 1.00 0.18 H new ATOM 0 HD2 LYS A 67 1.835 -2.948 -5.563 1.00 0.21 H new ATOM 0 HD3 LYS A 67 2.327 -1.311 -5.179 1.00 0.21 H new ATOM 0 HE2 LYS A 67 0.071 -1.374 -3.712 1.00 0.18 H new ATOM 0 HE3 LYS A 67 0.384 -3.098 -3.752 1.00 0.18 H new ATOM 0 HZ1 LYS A 67 1.584 -2.516 -1.921 1.00 0.19 H new ATOM 0 HZ2 LYS A 67 2.798 -2.299 -3.088 1.00 0.19 H new ATOM 0 HZ3 LYS A 67 1.947 -0.957 -2.488 1.00 0.19 H new ATOM 1066 N GLY A 68 -1.155 -2.271 -10.497 1.00 0.31 N ATOM 1067 CA GLY A 68 -1.622 -3.421 -11.243 1.00 0.38 C ATOM 1068 C GLY A 68 -2.076 -4.523 -10.324 1.00 0.38 C ATOM 1069 O GLY A 68 -2.279 -5.664 -10.736 1.00 0.47 O ATOM 0 H GLY A 68 -1.700 -1.421 -10.643 1.00 0.31 H new ATOM 0 HA2 GLY A 68 -2.445 -3.125 -11.893 1.00 0.38 H new ATOM 0 HA3 GLY A 68 -0.823 -3.788 -11.887 1.00 0.38 H new ATOM 1073 N LYS A 69 -2.229 -4.163 -9.069 1.00 0.30 N ATOM 1074 CA LYS A 69 -2.608 -5.099 -8.045 1.00 0.33 C ATOM 1075 C LYS A 69 -3.949 -4.732 -7.442 1.00 0.24 C ATOM 1076 O LYS A 69 -4.285 -3.556 -7.295 1.00 0.23 O ATOM 1077 CB LYS A 69 -1.557 -5.132 -6.944 1.00 0.41 C ATOM 1078 CG LYS A 69 -0.202 -5.622 -7.393 1.00 0.62 C ATOM 1079 CD LYS A 69 0.648 -6.011 -6.201 1.00 0.58 C ATOM 1080 CE LYS A 69 1.990 -6.568 -6.629 1.00 0.44 C ATOM 1081 NZ LYS A 69 1.857 -7.644 -7.644 1.00 1.21 N ATOM 0 H LYS A 69 -2.093 -3.209 -8.733 1.00 0.30 H new ATOM 0 HA LYS A 69 -2.686 -6.083 -8.507 1.00 0.33 H new ATOM 0 HB2 LYS A 69 -1.449 -4.129 -6.531 1.00 0.41 H new ATOM 0 HB3 LYS A 69 -1.913 -5.773 -6.137 1.00 0.41 H new ATOM 0 HG2 LYS A 69 -0.321 -6.479 -8.056 1.00 0.62 H new ATOM 0 HG3 LYS A 69 0.301 -4.843 -7.966 1.00 0.62 H new ATOM 0 HD2 LYS A 69 0.802 -5.140 -5.564 1.00 0.58 H new ATOM 0 HD3 LYS A 69 0.119 -6.754 -5.604 1.00 0.58 H new ATOM 0 HE2 LYS A 69 2.602 -5.763 -7.035 1.00 0.44 H new ATOM 0 HE3 LYS A 69 2.514 -6.958 -5.756 1.00 0.44 H new ATOM 0 HZ1 LYS A 69 2.529 -8.408 -7.430 1.00 1.21 H new ATOM 0 HZ2 LYS A 69 0.888 -8.021 -7.626 1.00 1.21 H new ATOM 0 HZ3 LYS A 69 2.061 -7.258 -8.588 1.00 1.21 H new ATOM 1095 N SER A 70 -4.715 -5.744 -7.114 1.00 0.23 N ATOM 1096 CA SER A 70 -5.966 -5.547 -6.422 1.00 0.21 C ATOM 1097 C SER A 70 -5.925 -6.297 -5.092 1.00 0.23 C ATOM 1098 O SER A 70 -5.330 -7.365 -4.999 1.00 0.31 O ATOM 1099 CB SER A 70 -7.137 -6.012 -7.291 1.00 0.24 C ATOM 1100 OG SER A 70 -8.382 -5.616 -6.734 1.00 1.27 O ATOM 0 H SER A 70 -4.492 -6.719 -7.317 1.00 0.23 H new ATOM 0 HA SER A 70 -6.113 -4.486 -6.221 1.00 0.21 H new ATOM 0 HB2 SER A 70 -7.036 -5.596 -8.294 1.00 0.24 H new ATOM 0 HB3 SER A 70 -7.110 -7.097 -7.391 1.00 0.24 H new ATOM 0 HG SER A 70 -8.264 -4.786 -6.226 1.00 1.27 H new ATOM 1106 N LEU A 71 -6.556 -5.736 -4.070 1.00 0.19 N ATOM 1107 CA LEU A 71 -6.408 -6.246 -2.697 1.00 0.21 C ATOM 1108 C LEU A 71 -7.036 -7.621 -2.496 1.00 0.26 C ATOM 1109 O LEU A 71 -8.057 -7.949 -3.096 1.00 0.32 O ATOM 1110 CB LEU A 71 -6.966 -5.239 -1.673 1.00 0.23 C ATOM 1111 CG LEU A 71 -8.505 -5.163 -1.471 1.00 0.31 C ATOM 1112 CD1 LEU A 71 -9.271 -5.247 -2.785 1.00 1.34 C ATOM 1113 CD2 LEU A 71 -8.996 -6.225 -0.498 1.00 1.21 C ATOM 0 H LEU A 71 -7.175 -4.930 -4.156 1.00 0.19 H new ATOM 0 HA LEU A 71 -5.338 -6.366 -2.530 1.00 0.21 H new ATOM 0 HB2 LEU A 71 -6.516 -5.465 -0.706 1.00 0.23 H new ATOM 0 HB3 LEU A 71 -6.620 -4.246 -1.962 1.00 0.23 H new ATOM 0 HG LEU A 71 -8.706 -4.183 -1.039 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -10.341 -5.189 -2.587 1.00 1.34 H new ATOM 0 HD12 LEU A 71 -8.977 -4.420 -3.431 1.00 1.34 H new ATOM 0 HD13 LEU A 71 -9.044 -6.192 -3.279 1.00 1.34 H new ATOM 0 HD21 LEU A 71 -10.077 -6.141 -0.382 1.00 1.21 H new ATOM 0 HD22 LEU A 71 -8.749 -7.214 -0.884 1.00 1.21 H new ATOM 0 HD23 LEU A 71 -8.515 -6.082 0.470 1.00 1.21 H new ATOM 1125 N LYS A 72 -6.388 -8.407 -1.646 1.00 0.34 N ATOM 1126 CA LYS A 72 -6.890 -9.699 -1.194 1.00 0.46 C ATOM 1127 C LYS A 72 -6.148 -10.097 0.073 1.00 0.66 C ATOM 1128 O LYS A 72 -5.348 -9.313 0.583 1.00 1.33 O ATOM 1129 CB LYS A 72 -6.701 -10.785 -2.260 1.00 0.47 C ATOM 1130 CG LYS A 72 -7.803 -10.831 -3.303 1.00 0.87 C ATOM 1131 CD LYS A 72 -7.459 -11.780 -4.430 1.00 1.37 C ATOM 1132 CE LYS A 72 -8.459 -11.679 -5.566 1.00 2.01 C ATOM 1133 NZ LYS A 72 -7.964 -12.354 -6.791 1.00 2.72 N ATOM 0 H LYS A 72 -5.483 -8.161 -1.244 1.00 0.34 H new ATOM 0 HA LYS A 72 -7.959 -9.605 -1.001 1.00 0.46 H new ATOM 0 HB2 LYS A 72 -5.747 -10.623 -2.762 1.00 0.47 H new ATOM 0 HB3 LYS A 72 -6.641 -11.756 -1.767 1.00 0.47 H new ATOM 0 HG2 LYS A 72 -8.736 -11.144 -2.835 1.00 0.87 H new ATOM 0 HG3 LYS A 72 -7.967 -9.831 -3.705 1.00 0.87 H new ATOM 0 HD2 LYS A 72 -6.459 -11.557 -4.803 1.00 1.37 H new ATOM 0 HD3 LYS A 72 -7.437 -12.802 -4.053 1.00 1.37 H new ATOM 0 HE2 LYS A 72 -9.405 -12.127 -5.260 1.00 2.01 H new ATOM 0 HE3 LYS A 72 -8.659 -10.630 -5.783 1.00 2.01 H new ATOM 0 HZ1 LYS A 72 -8.658 -12.236 -7.557 1.00 2.72 H new ATOM 0 HZ2 LYS A 72 -7.057 -11.933 -7.077 1.00 2.72 H new ATOM 0 HZ3 LYS A 72 -7.830 -13.367 -6.599 1.00 2.72 H new ATOM 1147 N GLU A 73 -6.406 -11.301 0.573 1.00 0.69 N ATOM 1148 CA GLU A 73 -5.679 -11.820 1.729 1.00 0.83 C ATOM 1149 C GLU A 73 -4.185 -11.800 1.425 1.00 0.82 C ATOM 1150 O GLU A 73 -3.372 -11.286 2.195 1.00 1.56 O ATOM 1151 CB GLU A 73 -6.111 -13.258 2.029 1.00 1.03 C ATOM 1152 CG GLU A 73 -7.595 -13.526 1.817 1.00 1.62 C ATOM 1153 CD GLU A 73 -8.491 -12.683 2.700 1.00 1.93 C ATOM 1154 OE1 GLU A 73 -8.436 -12.846 3.936 1.00 1.93 O ATOM 1155 OE2 GLU A 73 -9.261 -11.865 2.160 1.00 2.84 O ATOM 0 H GLU A 73 -7.111 -11.935 0.198 1.00 0.69 H new ATOM 0 HA GLU A 73 -5.897 -11.197 2.596 1.00 0.83 H new ATOM 0 HB2 GLU A 73 -5.538 -13.936 1.397 1.00 1.03 H new ATOM 0 HB3 GLU A 73 -5.856 -13.493 3.062 1.00 1.03 H new ATOM 0 HG2 GLU A 73 -7.845 -13.337 0.773 1.00 1.62 H new ATOM 0 HG3 GLU A 73 -7.797 -14.580 2.008 1.00 1.62 H new ATOM 1162 N MET A 74 -3.854 -12.357 0.272 1.00 0.58 N ATOM 1163 CA MET A 74 -2.494 -12.390 -0.230 1.00 0.54 C ATOM 1164 C MET A 74 -2.548 -12.544 -1.744 1.00 0.47 C ATOM 1165 O MET A 74 -2.832 -13.622 -2.264 1.00 0.61 O ATOM 1166 CB MET A 74 -1.702 -13.527 0.434 1.00 0.62 C ATOM 1167 CG MET A 74 -2.393 -14.884 0.391 1.00 1.44 C ATOM 1168 SD MET A 74 -1.611 -16.094 1.477 1.00 1.93 S ATOM 1169 CE MET A 74 -1.847 -15.302 3.069 1.00 2.96 C ATOM 0 H MET A 74 -4.531 -12.803 -0.347 1.00 0.58 H new ATOM 0 HA MET A 74 -1.975 -11.463 0.015 1.00 0.54 H new ATOM 0 HB2 MET A 74 -0.732 -13.611 -0.055 1.00 0.62 H new ATOM 0 HB3 MET A 74 -1.513 -13.262 1.474 1.00 0.62 H new ATOM 0 HG2 MET A 74 -3.438 -14.765 0.678 1.00 1.44 H new ATOM 0 HG3 MET A 74 -2.384 -15.260 -0.632 1.00 1.44 H new ATOM 0 HE1 MET A 74 -2.107 -16.054 3.814 1.00 2.96 H new ATOM 0 HE2 MET A 74 -0.926 -14.800 3.366 1.00 2.96 H new ATOM 0 HE3 MET A 74 -2.651 -14.570 2.996 1.00 2.96 H new ATOM 1179 N GLU A 75 -2.316 -11.449 -2.451 1.00 0.35 N ATOM 1180 CA GLU A 75 -2.612 -11.397 -3.869 1.00 0.33 C ATOM 1181 C GLU A 75 -1.388 -11.700 -4.751 1.00 0.30 C ATOM 1182 O GLU A 75 -0.936 -12.841 -4.815 1.00 0.49 O ATOM 1183 CB GLU A 75 -3.245 -10.035 -4.186 1.00 0.38 C ATOM 1184 CG GLU A 75 -3.698 -9.828 -5.633 1.00 0.92 C ATOM 1185 CD GLU A 75 -4.551 -10.965 -6.185 1.00 1.67 C ATOM 1186 OE1 GLU A 75 -4.109 -12.131 -6.136 1.00 2.03 O ATOM 1187 OE2 GLU A 75 -5.652 -10.697 -6.708 1.00 2.49 O ATOM 0 H GLU A 75 -1.925 -10.589 -2.066 1.00 0.35 H new ATOM 0 HA GLU A 75 -3.322 -12.188 -4.109 1.00 0.33 H new ATOM 0 HB2 GLU A 75 -4.106 -9.896 -3.533 1.00 0.38 H new ATOM 0 HB3 GLU A 75 -2.526 -9.255 -3.936 1.00 0.38 H new ATOM 0 HG2 GLU A 75 -4.265 -8.899 -5.696 1.00 0.92 H new ATOM 0 HG3 GLU A 75 -2.818 -9.708 -6.265 1.00 0.92 H new ATOM 1194 N THR A 76 -0.844 -10.683 -5.402 1.00 0.27 N ATOM 1195 CA THR A 76 0.100 -10.899 -6.497 1.00 0.26 C ATOM 1196 C THR A 76 1.560 -10.636 -6.111 1.00 0.17 C ATOM 1197 O THR A 76 1.821 -9.874 -5.190 1.00 0.18 O ATOM 1198 CB THR A 76 -0.284 -10.046 -7.718 1.00 0.40 C ATOM 1199 OG1 THR A 76 -0.671 -8.736 -7.288 1.00 0.49 O ATOM 1200 CG2 THR A 76 -1.422 -10.692 -8.496 1.00 0.69 C ATOM 0 H THR A 76 -1.036 -9.703 -5.195 1.00 0.27 H new ATOM 0 HA THR A 76 0.031 -11.957 -6.748 1.00 0.26 H new ATOM 0 HB THR A 76 0.582 -9.974 -8.376 1.00 0.40 H new ATOM 0 HG1 THR A 76 -1.331 -8.368 -7.912 1.00 0.49 H new ATOM 0 HG21 THR A 76 -1.675 -10.070 -9.354 1.00 0.69 H new ATOM 0 HG22 THR A 76 -1.113 -11.678 -8.841 1.00 0.69 H new ATOM 0 HG23 THR A 76 -2.294 -10.791 -7.850 1.00 0.69 H new ATOM 1208 N PRO A 77 2.505 -11.303 -6.821 1.00 0.19 N ATOM 1209 CA PRO A 77 3.965 -11.245 -6.619 1.00 0.18 C ATOM 1210 C PRO A 77 4.515 -10.026 -5.862 1.00 0.14 C ATOM 1211 O PRO A 77 4.226 -8.867 -6.187 1.00 0.16 O ATOM 1212 CB PRO A 77 4.453 -11.254 -8.059 1.00 0.30 C ATOM 1213 CG PRO A 77 3.483 -12.135 -8.786 1.00 0.36 C ATOM 1214 CD PRO A 77 2.219 -12.203 -7.949 1.00 0.28 C ATOM 0 HA PRO A 77 4.303 -12.058 -5.976 1.00 0.18 H new ATOM 0 HB2 PRO A 77 4.465 -10.248 -8.479 1.00 0.30 H new ATOM 0 HB3 PRO A 77 5.469 -11.641 -8.130 1.00 0.30 H new ATOM 0 HG2 PRO A 77 3.267 -11.733 -9.776 1.00 0.36 H new ATOM 0 HG3 PRO A 77 3.902 -13.131 -8.930 1.00 0.36 H new ATOM 0 HD2 PRO A 77 1.346 -11.875 -8.513 1.00 0.28 H new ATOM 0 HD3 PRO A 77 2.016 -13.219 -7.610 1.00 0.28 H new ATOM 1222 N LEU A 78 5.340 -10.344 -4.868 1.00 0.14 N ATOM 1223 CA LEU A 78 5.915 -9.392 -3.915 1.00 0.15 C ATOM 1224 C LEU A 78 6.911 -8.414 -4.540 1.00 0.16 C ATOM 1225 O LEU A 78 6.978 -7.256 -4.145 1.00 0.16 O ATOM 1226 CB LEU A 78 6.575 -10.163 -2.771 1.00 0.19 C ATOM 1227 CG LEU A 78 5.624 -11.068 -1.999 1.00 0.19 C ATOM 1228 CD1 LEU A 78 5.439 -12.403 -2.708 1.00 0.22 C ATOM 1229 CD2 LEU A 78 6.113 -11.288 -0.580 1.00 0.24 C ATOM 0 H LEU A 78 5.638 -11.304 -4.696 1.00 0.14 H new ATOM 0 HA LEU A 78 5.093 -8.779 -3.544 1.00 0.15 H new ATOM 0 HB2 LEU A 78 7.386 -10.768 -3.176 1.00 0.19 H new ATOM 0 HB3 LEU A 78 7.023 -9.451 -2.079 1.00 0.19 H new ATOM 0 HG LEU A 78 4.657 -10.567 -1.956 1.00 0.19 H new ATOM 0 HD11 LEU A 78 4.755 -13.028 -2.134 1.00 0.22 H new ATOM 0 HD12 LEU A 78 5.027 -12.233 -3.703 1.00 0.22 H new ATOM 0 HD13 LEU A 78 6.403 -12.905 -2.796 1.00 0.22 H new ATOM 0 HD21 LEU A 78 5.415 -11.938 -0.051 1.00 0.24 H new ATOM 0 HD22 LEU A 78 7.098 -11.755 -0.603 1.00 0.24 H new ATOM 0 HD23 LEU A 78 6.178 -10.330 -0.065 1.00 0.24 H new ATOM 1241 N SER A 79 7.707 -8.875 -5.483 1.00 0.18 N ATOM 1242 CA SER A 79 8.637 -7.986 -6.179 1.00 0.22 C ATOM 1243 C SER A 79 7.879 -6.837 -6.845 1.00 0.22 C ATOM 1244 O SER A 79 8.321 -5.688 -6.841 1.00 0.24 O ATOM 1245 CB SER A 79 9.443 -8.765 -7.215 1.00 0.27 C ATOM 1246 OG SER A 79 10.231 -9.763 -6.588 1.00 1.17 O ATOM 0 H SER A 79 7.735 -9.848 -5.788 1.00 0.18 H new ATOM 0 HA SER A 79 9.328 -7.566 -5.448 1.00 0.22 H new ATOM 0 HB2 SER A 79 8.768 -9.227 -7.936 1.00 0.27 H new ATOM 0 HB3 SER A 79 10.086 -8.083 -7.771 1.00 0.27 H new ATOM 0 HG SER A 79 11.117 -9.398 -6.381 1.00 1.17 H new ATOM 1252 N ALA A 80 6.722 -7.164 -7.391 1.00 0.20 N ATOM 1253 CA ALA A 80 5.846 -6.191 -8.022 1.00 0.22 C ATOM 1254 C ALA A 80 5.046 -5.396 -6.986 1.00 0.18 C ATOM 1255 O ALA A 80 4.259 -4.519 -7.344 1.00 0.19 O ATOM 1256 CB ALA A 80 4.910 -6.881 -9.003 1.00 0.27 C ATOM 0 H ALA A 80 6.361 -8.118 -7.410 1.00 0.20 H new ATOM 0 HA ALA A 80 6.472 -5.484 -8.567 1.00 0.22 H new ATOM 0 HB1 ALA A 80 4.260 -6.140 -9.468 1.00 0.27 H new ATOM 0 HB2 ALA A 80 5.496 -7.384 -9.773 1.00 0.27 H new ATOM 0 HB3 ALA A 80 4.303 -7.614 -8.472 1.00 0.27 H new ATOM 1262 N LEU A 81 5.244 -5.705 -5.700 1.00 0.14 N ATOM 1263 CA LEU A 81 4.375 -5.213 -4.625 1.00 0.13 C ATOM 1264 C LEU A 81 4.561 -3.714 -4.338 1.00 0.12 C ATOM 1265 O LEU A 81 4.168 -3.241 -3.277 1.00 0.11 O ATOM 1266 CB LEU A 81 4.588 -6.009 -3.330 1.00 0.13 C ATOM 1267 CG LEU A 81 3.319 -6.529 -2.647 1.00 0.15 C ATOM 1268 CD1 LEU A 81 2.266 -5.441 -2.521 1.00 0.16 C ATOM 1269 CD2 LEU A 81 2.764 -7.721 -3.398 1.00 0.19 C ATOM 0 H LEU A 81 6.007 -6.300 -5.376 1.00 0.14 H new ATOM 0 HA LEU A 81 3.355 -5.358 -4.981 1.00 0.13 H new ATOM 0 HB2 LEU A 81 5.233 -6.860 -3.551 1.00 0.13 H new ATOM 0 HB3 LEU A 81 5.125 -5.377 -2.622 1.00 0.13 H new ATOM 0 HG LEU A 81 3.590 -6.844 -1.639 1.00 0.15 H new ATOM 0 HD11 LEU A 81 1.380 -5.847 -2.032 1.00 0.16 H new ATOM 0 HD12 LEU A 81 2.663 -4.617 -1.928 1.00 0.16 H new ATOM 0 HD13 LEU A 81 1.998 -5.077 -3.513 1.00 0.16 H new ATOM 0 HD21 LEU A 81 1.863 -8.078 -2.899 1.00 0.19 H new ATOM 0 HD22 LEU A 81 2.521 -7.427 -4.419 1.00 0.19 H new ATOM 0 HD23 LEU A 81 3.508 -8.518 -3.417 1.00 0.19 H new ATOM 1281 N GLY A 82 5.120 -2.944 -5.266 1.00 0.12 N ATOM 1282 CA GLY A 82 5.331 -1.541 -4.962 1.00 0.12 C ATOM 1283 C GLY A 82 6.759 -1.170 -4.642 1.00 0.11 C ATOM 1284 O GLY A 82 6.974 -0.381 -3.725 1.00 0.12 O ATOM 0 H GLY A 82 5.421 -3.251 -6.191 1.00 0.12 H new ATOM 0 HA2 GLY A 82 4.997 -0.946 -5.812 1.00 0.12 H new ATOM 0 HA3 GLY A 82 4.701 -1.269 -4.115 1.00 0.12 H new ATOM 1288 N MET A 83 7.749 -1.747 -5.344 1.00 0.13 N ATOM 1289 CA MET A 83 9.137 -1.335 -5.105 1.00 0.15 C ATOM 1290 C MET A 83 9.354 0.119 -5.545 1.00 0.15 C ATOM 1291 O MET A 83 9.781 0.419 -6.661 1.00 0.19 O ATOM 1292 CB MET A 83 10.111 -2.263 -5.850 1.00 0.20 C ATOM 1293 CG MET A 83 9.759 -2.515 -7.307 1.00 0.49 C ATOM 1294 SD MET A 83 10.935 -3.615 -8.117 1.00 0.97 S ATOM 1295 CE MET A 83 10.171 -3.786 -9.727 1.00 1.79 C ATOM 0 H MET A 83 7.622 -2.470 -6.052 1.00 0.13 H new ATOM 0 HA MET A 83 9.333 -1.408 -4.035 1.00 0.15 H new ATOM 0 HB2 MET A 83 11.111 -1.832 -5.801 1.00 0.20 H new ATOM 0 HB3 MET A 83 10.150 -3.220 -5.329 1.00 0.20 H new ATOM 0 HG2 MET A 83 8.760 -2.947 -7.367 1.00 0.49 H new ATOM 0 HG3 MET A 83 9.728 -1.565 -7.840 1.00 0.49 H new ATOM 0 HE1 MET A 83 10.780 -4.440 -10.351 1.00 1.79 H new ATOM 0 HE2 MET A 83 9.176 -4.216 -9.614 1.00 1.79 H new ATOM 0 HE3 MET A 83 10.092 -2.806 -10.198 1.00 1.79 H new ATOM 1305 N GLN A 84 8.998 0.987 -4.624 1.00 0.14 N ATOM 1306 CA GLN A 84 9.272 2.410 -4.608 1.00 0.15 C ATOM 1307 C GLN A 84 8.873 2.815 -3.215 1.00 0.16 C ATOM 1308 O GLN A 84 8.444 1.925 -2.490 1.00 0.16 O ATOM 1309 CB GLN A 84 8.522 3.182 -5.698 1.00 0.16 C ATOM 1310 CG GLN A 84 7.089 2.737 -5.913 1.00 0.61 C ATOM 1311 CD GLN A 84 6.653 2.879 -7.360 1.00 1.08 C ATOM 1312 OE1 GLN A 84 6.782 1.948 -8.149 1.00 1.79 O ATOM 1313 NE2 GLN A 84 6.141 4.045 -7.720 1.00 1.61 N ATOM 0 H GLN A 84 8.468 0.695 -3.803 1.00 0.14 H new ATOM 0 HA GLN A 84 10.314 2.640 -4.832 1.00 0.15 H new ATOM 0 HB2 GLN A 84 8.525 4.242 -5.442 1.00 0.16 H new ATOM 0 HB3 GLN A 84 9.065 3.079 -6.637 1.00 0.16 H new ATOM 0 HG2 GLN A 84 6.984 1.697 -5.604 1.00 0.61 H new ATOM 0 HG3 GLN A 84 6.428 3.327 -5.277 1.00 0.61 H new ATOM 0 HE21 GLN A 84 6.050 4.795 -7.035 1.00 1.61 H new ATOM 0 HE22 GLN A 84 5.838 4.193 -8.682 1.00 1.61 H new ATOM 1322 N ASN A 85 9.010 4.062 -2.764 1.00 0.17 N ATOM 1323 CA ASN A 85 8.534 4.308 -1.400 1.00 0.17 C ATOM 1324 C ASN A 85 7.041 4.002 -1.375 1.00 0.16 C ATOM 1325 O ASN A 85 6.243 4.744 -1.891 1.00 0.18 O ATOM 1326 CB ASN A 85 8.823 5.751 -0.887 1.00 0.19 C ATOM 1327 CG ASN A 85 8.114 6.862 -1.644 1.00 0.28 C ATOM 1328 OD1 ASN A 85 7.087 7.365 -1.212 1.00 1.22 O ATOM 1329 ND2 ASN A 85 8.648 7.252 -2.778 1.00 0.99 N ATOM 0 H ASN A 85 9.409 4.855 -3.267 1.00 0.17 H new ATOM 0 HA ASN A 85 9.081 3.658 -0.717 1.00 0.17 H new ATOM 0 HB2 ASN A 85 8.538 5.810 0.163 1.00 0.19 H new ATOM 0 HB3 ASN A 85 9.897 5.928 -0.936 1.00 0.19 H new ATOM 0 HD21 ASN A 85 8.205 7.992 -3.322 1.00 0.99 H new ATOM 0 HD22 ASN A 85 9.506 6.815 -3.115 1.00 0.99 H new ATOM 1336 N GLY A 86 6.706 2.882 -0.750 1.00 0.15 N ATOM 1337 CA GLY A 86 5.337 2.403 -0.616 1.00 0.14 C ATOM 1338 C GLY A 86 4.542 2.204 -1.920 1.00 0.12 C ATOM 1339 O GLY A 86 3.637 1.367 -1.963 1.00 0.13 O ATOM 0 H GLY A 86 7.393 2.268 -0.313 1.00 0.15 H new ATOM 0 HA2 GLY A 86 5.360 1.452 -0.083 1.00 0.14 H new ATOM 0 HA3 GLY A 86 4.790 3.107 0.012 1.00 0.14 H new ATOM 1343 N CYS A 87 4.886 2.946 -2.968 1.00 0.11 N ATOM 1344 CA CYS A 87 4.121 2.972 -4.211 1.00 0.12 C ATOM 1345 C CYS A 87 2.747 3.612 -3.977 1.00 0.12 C ATOM 1346 O CYS A 87 2.604 4.539 -3.172 1.00 0.17 O ATOM 1347 CB CYS A 87 3.969 1.563 -4.777 1.00 0.23 C ATOM 1348 SG CYS A 87 3.540 1.501 -6.536 1.00 0.94 S ATOM 0 H CYS A 87 5.708 3.550 -2.979 1.00 0.11 H new ATOM 0 HA CYS A 87 4.663 3.575 -4.939 1.00 0.12 H new ATOM 0 HB2 CYS A 87 4.903 1.021 -4.625 1.00 0.23 H new ATOM 0 HB3 CYS A 87 3.200 1.038 -4.210 1.00 0.23 H new ATOM 0 HG CYS A 87 4.350 0.692 -7.152 1.00 0.94 H new ATOM 1354 N ARG A 88 1.745 3.138 -4.703 1.00 0.12 N ATOM 1355 CA ARG A 88 0.402 3.681 -4.594 1.00 0.13 C ATOM 1356 C ARG A 88 -0.592 2.541 -4.423 1.00 0.12 C ATOM 1357 O ARG A 88 -0.350 1.442 -4.916 1.00 0.15 O ATOM 1358 CB ARG A 88 0.033 4.493 -5.844 1.00 0.19 C ATOM 1359 CG ARG A 88 1.110 5.458 -6.317 1.00 0.82 C ATOM 1360 CD ARG A 88 2.118 4.782 -7.235 1.00 0.41 C ATOM 1361 NE ARG A 88 1.606 4.610 -8.593 1.00 0.90 N ATOM 1362 CZ ARG A 88 2.208 3.873 -9.531 1.00 1.29 C ATOM 1363 NH1 ARG A 88 3.306 3.183 -9.243 1.00 1.26 N ATOM 1364 NH2 ARG A 88 1.700 3.811 -10.753 1.00 2.07 N ATOM 0 H ARG A 88 1.839 2.377 -5.375 1.00 0.12 H new ATOM 0 HA ARG A 88 0.367 4.343 -3.729 1.00 0.13 H new ATOM 0 HB2 ARG A 88 -0.197 3.802 -6.655 1.00 0.19 H new ATOM 0 HB3 ARG A 88 -0.876 5.058 -5.638 1.00 0.19 H new ATOM 0 HG2 ARG A 88 0.644 6.292 -6.842 1.00 0.82 H new ATOM 0 HG3 ARG A 88 1.628 5.874 -5.453 1.00 0.82 H new ATOM 0 HD2 ARG A 88 3.032 5.375 -7.266 1.00 0.41 H new ATOM 0 HD3 ARG A 88 2.384 3.808 -6.824 1.00 0.41 H new ATOM 0 HE ARG A 88 0.736 5.081 -8.840 1.00 0.90 H new ATOM 0 HH11 ARG A 88 3.695 3.214 -8.301 1.00 1.26 H new ATOM 0 HH12 ARG A 88 3.760 2.623 -9.964 1.00 1.26 H new ATOM 0 HH21 ARG A 88 0.849 4.326 -10.978 1.00 2.07 H new ATOM 0 HH22 ARG A 88 2.160 3.248 -11.469 1.00 2.07 H new ATOM 1378 N VAL A 89 -1.675 2.806 -3.695 1.00 0.11 N ATOM 1379 CA VAL A 89 -2.794 1.871 -3.532 1.00 0.11 C ATOM 1380 C VAL A 89 -4.072 2.646 -3.280 1.00 0.11 C ATOM 1381 O VAL A 89 -4.197 3.351 -2.278 1.00 0.12 O ATOM 1382 CB VAL A 89 -2.588 0.867 -2.378 1.00 0.13 C ATOM 1383 CG1 VAL A 89 -1.624 -0.235 -2.761 1.00 0.20 C ATOM 1384 CG2 VAL A 89 -2.110 1.578 -1.138 1.00 0.18 C ATOM 0 H VAL A 89 -1.805 3.685 -3.195 1.00 0.11 H new ATOM 0 HA VAL A 89 -2.855 1.297 -4.457 1.00 0.11 H new ATOM 0 HB VAL A 89 -3.552 0.404 -2.169 1.00 0.13 H new ATOM 0 HG11 VAL A 89 -1.505 -0.922 -1.923 1.00 0.20 H new ATOM 0 HG12 VAL A 89 -2.015 -0.777 -3.622 1.00 0.20 H new ATOM 0 HG13 VAL A 89 -0.657 0.199 -3.014 1.00 0.20 H new ATOM 0 HG21 VAL A 89 -1.970 0.855 -0.335 1.00 0.18 H new ATOM 0 HG22 VAL A 89 -1.163 2.076 -1.346 1.00 0.18 H new ATOM 0 HG23 VAL A 89 -2.850 2.318 -0.835 1.00 0.18 H new ATOM 1394 N MET A 90 -5.012 2.576 -4.196 1.00 0.11 N ATOM 1395 CA MET A 90 -6.275 3.243 -3.944 1.00 0.12 C ATOM 1396 C MET A 90 -7.437 2.290 -4.000 1.00 0.12 C ATOM 1397 O MET A 90 -7.560 1.472 -4.903 1.00 0.13 O ATOM 1398 CB MET A 90 -6.518 4.441 -4.833 1.00 0.16 C ATOM 1399 CG MET A 90 -7.205 4.112 -6.141 1.00 0.68 C ATOM 1400 SD MET A 90 -7.405 5.541 -7.224 1.00 1.30 S ATOM 1401 CE MET A 90 -8.600 6.501 -6.298 1.00 1.92 C ATOM 0 H MET A 90 -4.937 2.086 -5.088 1.00 0.11 H new ATOM 0 HA MET A 90 -6.195 3.626 -2.927 1.00 0.12 H new ATOM 0 HB2 MET A 90 -7.124 5.166 -4.289 1.00 0.16 H new ATOM 0 HB3 MET A 90 -5.563 4.920 -5.047 1.00 0.16 H new ATOM 0 HG2 MET A 90 -6.629 3.348 -6.663 1.00 0.68 H new ATOM 0 HG3 MET A 90 -8.185 3.685 -5.931 1.00 0.68 H new ATOM 0 HE1 MET A 90 -9.505 6.628 -6.893 1.00 1.92 H new ATOM 0 HE2 MET A 90 -8.845 5.981 -5.372 1.00 1.92 H new ATOM 0 HE3 MET A 90 -8.179 7.479 -6.065 1.00 1.92 H new ATOM 1411 N LEU A 91 -8.271 2.387 -3.009 1.00 0.12 N ATOM 1412 CA LEU A 91 -9.424 1.536 -2.911 1.00 0.12 C ATOM 1413 C LEU A 91 -10.665 2.308 -3.271 1.00 0.14 C ATOM 1414 O LEU A 91 -10.876 3.433 -2.809 1.00 0.15 O ATOM 1415 CB LEU A 91 -9.547 0.881 -1.520 1.00 0.11 C ATOM 1416 CG LEU A 91 -9.739 1.776 -0.271 1.00 0.12 C ATOM 1417 CD1 LEU A 91 -8.823 2.978 -0.271 1.00 0.15 C ATOM 1418 CD2 LEU A 91 -11.194 2.202 -0.108 1.00 0.14 C ATOM 0 H LEU A 91 -8.174 3.056 -2.245 1.00 0.12 H new ATOM 0 HA LEU A 91 -9.302 0.720 -3.623 1.00 0.12 H new ATOM 0 HB2 LEU A 91 -10.388 0.188 -1.558 1.00 0.11 H new ATOM 0 HB3 LEU A 91 -8.649 0.284 -1.359 1.00 0.11 H new ATOM 0 HG LEU A 91 -9.464 1.165 0.589 1.00 0.12 H new ATOM 0 HD11 LEU A 91 -9.000 3.570 0.627 1.00 0.15 H new ATOM 0 HD12 LEU A 91 -7.785 2.645 -0.287 1.00 0.15 H new ATOM 0 HD13 LEU A 91 -9.022 3.587 -1.153 1.00 0.15 H new ATOM 0 HD21 LEU A 91 -11.292 2.829 0.778 1.00 0.14 H new ATOM 0 HD22 LEU A 91 -11.509 2.764 -0.987 1.00 0.14 H new ATOM 0 HD23 LEU A 91 -11.822 1.318 0.001 1.00 0.14 H new ATOM 1430 N ILE A 92 -11.466 1.727 -4.128 1.00 0.18 N ATOM 1431 CA ILE A 92 -12.714 2.337 -4.472 1.00 0.23 C ATOM 1432 C ILE A 92 -13.854 1.528 -3.894 1.00 0.23 C ATOM 1433 O ILE A 92 -14.093 0.385 -4.275 1.00 0.26 O ATOM 1434 CB ILE A 92 -12.880 2.495 -5.999 1.00 0.31 C ATOM 1435 CG1 ILE A 92 -11.762 3.378 -6.565 1.00 0.42 C ATOM 1436 CG2 ILE A 92 -14.246 3.079 -6.333 1.00 0.37 C ATOM 1437 CD1 ILE A 92 -11.805 3.527 -8.071 1.00 0.51 C ATOM 0 H ILE A 92 -11.274 0.840 -4.594 1.00 0.18 H new ATOM 0 HA ILE A 92 -12.727 3.339 -4.044 1.00 0.23 H new ATOM 0 HB ILE A 92 -12.811 1.509 -6.459 1.00 0.31 H new ATOM 0 HG12 ILE A 92 -11.826 4.366 -6.109 1.00 0.42 H new ATOM 0 HG13 ILE A 92 -10.798 2.957 -6.278 1.00 0.42 H new ATOM 0 HG21 ILE A 92 -14.343 3.182 -7.414 1.00 0.37 H new ATOM 0 HG22 ILE A 92 -15.026 2.415 -5.960 1.00 0.37 H new ATOM 0 HG23 ILE A 92 -14.348 4.058 -5.864 1.00 0.37 H new ATOM 0 HD11 ILE A 92 -10.984 4.165 -8.397 1.00 0.51 H new ATOM 0 HD12 ILE A 92 -11.709 2.546 -8.537 1.00 0.51 H new ATOM 0 HD13 ILE A 92 -12.753 3.977 -8.365 1.00 0.51 H new ATOM 1449 N GLY A 93 -14.521 2.138 -2.944 1.00 0.24 N ATOM 1450 CA GLY A 93 -15.652 1.522 -2.294 1.00 0.28 C ATOM 1451 C GLY A 93 -15.998 2.267 -1.035 1.00 0.30 C ATOM 1452 O GLY A 93 -16.769 3.224 -1.067 1.00 0.45 O ATOM 0 H GLY A 93 -14.296 3.072 -2.601 1.00 0.24 H new ATOM 0 HA2 GLY A 93 -16.509 1.515 -2.968 1.00 0.28 H new ATOM 0 HA3 GLY A 93 -15.423 0.483 -2.059 1.00 0.28 H new ATOM 1456 N GLU A 94 -15.406 1.860 0.071 1.00 0.25 N ATOM 1457 CA GLU A 94 -15.600 2.560 1.321 1.00 0.26 C ATOM 1458 C GLU A 94 -14.358 2.460 2.197 1.00 0.24 C ATOM 1459 O GLU A 94 -13.839 1.373 2.434 1.00 0.35 O ATOM 1460 CB GLU A 94 -16.807 1.987 2.059 1.00 0.32 C ATOM 1461 CG GLU A 94 -17.186 2.772 3.304 1.00 0.98 C ATOM 1462 CD GLU A 94 -17.629 4.184 2.982 1.00 1.53 C ATOM 1463 OE1 GLU A 94 -16.780 4.999 2.568 1.00 2.17 O ATOM 1464 OE2 GLU A 94 -18.833 4.482 3.129 1.00 2.02 O ATOM 0 H GLU A 94 -14.789 1.050 0.127 1.00 0.25 H new ATOM 0 HA GLU A 94 -15.781 3.612 1.100 1.00 0.26 H new ATOM 0 HB2 GLU A 94 -17.660 1.963 1.381 1.00 0.32 H new ATOM 0 HB3 GLU A 94 -16.595 0.956 2.340 1.00 0.32 H new ATOM 0 HG2 GLU A 94 -17.989 2.253 3.828 1.00 0.98 H new ATOM 0 HG3 GLU A 94 -16.333 2.807 3.982 1.00 0.98 H new ATOM 1471 N LYS A 95 -13.879 3.601 2.667 1.00 0.25 N ATOM 1472 CA LYS A 95 -12.819 3.624 3.661 1.00 0.26 C ATOM 1473 C LYS A 95 -13.447 3.723 5.045 1.00 0.39 C ATOM 1474 O LYS A 95 -13.409 4.772 5.687 1.00 0.48 O ATOM 1475 CB LYS A 95 -11.849 4.792 3.432 1.00 0.28 C ATOM 1476 CG LYS A 95 -10.622 4.448 2.587 1.00 0.27 C ATOM 1477 CD LYS A 95 -9.597 5.571 2.629 1.00 0.55 C ATOM 1478 CE LYS A 95 -8.308 5.218 1.893 1.00 0.35 C ATOM 1479 NZ LYS A 95 -7.339 6.345 1.945 1.00 1.19 N ATOM 0 H LYS A 95 -14.207 4.522 2.376 1.00 0.25 H new ATOM 0 HA LYS A 95 -12.240 2.704 3.575 1.00 0.26 H new ATOM 0 HB2 LYS A 95 -12.390 5.606 2.949 1.00 0.28 H new ATOM 0 HB3 LYS A 95 -11.514 5.163 4.400 1.00 0.28 H new ATOM 0 HG2 LYS A 95 -10.171 3.526 2.953 1.00 0.27 H new ATOM 0 HG3 LYS A 95 -10.926 4.267 1.556 1.00 0.27 H new ATOM 0 HD2 LYS A 95 -10.029 6.469 2.187 1.00 0.55 H new ATOM 0 HD3 LYS A 95 -9.365 5.807 3.667 1.00 0.55 H new ATOM 0 HE2 LYS A 95 -7.862 4.329 2.339 1.00 0.35 H new ATOM 0 HE3 LYS A 95 -8.533 4.975 0.855 1.00 0.35 H new ATOM 0 HZ1 LYS A 95 -6.392 6.001 1.687 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -7.632 7.086 1.277 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -7.314 6.737 2.908 1.00 1.19 H new ATOM 1493 N SER A 96 -14.056 2.625 5.477 1.00 0.46 N ATOM 1494 CA SER A 96 -14.763 2.579 6.747 1.00 0.65 C ATOM 1495 C SER A 96 -13.834 2.894 7.910 1.00 0.80 C ATOM 1496 O SER A 96 -12.890 2.153 8.188 1.00 0.99 O ATOM 1497 CB SER A 96 -15.395 1.202 6.942 1.00 0.74 C ATOM 1498 OG SER A 96 -16.225 0.871 5.845 1.00 1.30 O ATOM 0 H SER A 96 -14.073 1.747 4.958 1.00 0.46 H new ATOM 0 HA SER A 96 -15.545 3.338 6.726 1.00 0.65 H new ATOM 0 HB2 SER A 96 -14.613 0.450 7.052 1.00 0.74 H new ATOM 0 HB3 SER A 96 -15.979 1.192 7.862 1.00 0.74 H new ATOM 0 HG SER A 96 -16.143 -0.086 5.649 1.00 1.30 H new ATOM 1504 N ASN A 97 -14.102 4.004 8.576 1.00 1.03 N ATOM 1505 CA ASN A 97 -13.324 4.410 9.731 1.00 1.27 C ATOM 1506 C ASN A 97 -14.265 4.901 10.821 1.00 1.85 C ATOM 1507 O ASN A 97 -14.500 6.121 10.911 1.00 2.21 O ATOM 1508 CB ASN A 97 -12.321 5.502 9.344 1.00 1.62 C ATOM 1509 CG ASN A 97 -11.440 5.927 10.503 1.00 1.97 C ATOM 1510 OD1 ASN A 97 -11.205 5.162 11.439 1.00 2.51 O ATOM 1511 ND2 ASN A 97 -10.936 7.148 10.443 1.00 2.63 N ATOM 1512 OXT ASN A 97 -14.813 4.048 11.550 1.00 2.58 O ATOM 0 H ASN A 97 -14.859 4.644 8.333 1.00 1.03 H new ATOM 0 HA ASN A 97 -12.759 3.557 10.106 1.00 1.27 H new ATOM 0 HB2 ASN A 97 -11.693 5.140 8.530 1.00 1.62 H new ATOM 0 HB3 ASN A 97 -12.863 6.370 8.968 1.00 1.62 H new ATOM 0 HD21 ASN A 97 -10.329 7.486 11.189 1.00 2.63 H new ATOM 0 HD22 ASN A 97 -11.155 7.752 9.650 1.00 2.63 H new TER 1519 ASN A 97