USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 915 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 12 MET CE :methyl -150:sc= -1.82 (180deg=-2.04) USER MOD Set 1.2: A 67 HIS : no HD1:sc= -1.37 X(o=-3.2,f=-3) USER MOD Set 2.1: A 37 GLN : amide:sc= -0.0161 K(o=-0.016,f=-1.1) USER MOD Set 2.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0117) USER MOD Single : A 13 LYS NZ :NH3+ -154:sc= -0.0744 (180deg=-0.506) USER MOD Single : A 14 LYS NZ :NH3+ 160:sc= -0.642 (180deg=-1.57!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -88:sc= -4.28! USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= -0.78 (180deg=-2.17!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -140:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0381 K(o=-0.038,f=-1) USER MOD Single : A 32 SER OG : rot -41:sc= 0.208 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -156:sc= 1.24 (180deg=1.16) USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00459) USER MOD Single : A 61 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.666) USER MOD Single : A 66 ASN : amide:sc= -0.0575 K(o=-0.058,f=-1.4) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -40:sc= 0.541 USER MOD Single : A 71 SER OG : rot 52:sc= 0.0107 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00571) USER MOD Single : A 80 MET CE :methyl -167:sc= -0.943 (180deg=-1.33) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 85 ASN : amide:sc= -0.227 K(o=-0.23,f=-2.5!) USER MOD Single : A 87 GLN : amide:sc= -0.0643 K(o=-0.064,f=-1.7!) USER MOD Single : A 88 THR OG1 : rot 64:sc= 0.254 USER MOD Single : A 90 ASN : amide:sc= -2.31 K(o=-2.3,f=-4) USER MOD Single : A 94 SER OG : rot -81:sc= 0.0918 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -57:sc= 1.18 USER MOD Single : A 104 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.035) USER MOD Single : A 105 SER OG : rot 81:sc= 0.0104 USER MOD Single : A 108 THR OG1 : rot 69:sc= 1.26 USER MOD Single : A 109 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 11 2.588 -20.360 -0.538 1.00 0.00 N ATOM 2 CA LYS A 11 2.369 -19.105 -1.258 1.00 0.00 C ATOM 3 C LYS A 11 2.029 -17.967 -0.298 1.00 0.00 C ATOM 4 O LYS A 11 2.513 -16.846 -0.458 1.00 0.00 O ATOM 5 CB LYS A 11 1.249 -19.266 -2.290 1.00 0.00 C ATOM 6 CG LYS A 11 1.451 -18.430 -3.543 1.00 0.00 C ATOM 7 CD LYS A 11 2.194 -19.205 -4.619 1.00 0.00 C ATOM 8 CE LYS A 11 2.559 -18.318 -5.802 1.00 0.00 C ATOM 9 NZ LYS A 11 1.353 -17.792 -6.507 1.00 0.00 N ATOM 0 HA LYS A 11 3.296 -18.854 -1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.175 -20.316 -2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.300 -18.992 -1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.483 -18.110 -3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.009 -17.528 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.100 -19.638 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.576 -20.034 -4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.167 -17.483 -5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.169 -18.885 -6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.649 -17.236 -7.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.759 -18.587 -6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.809 -17.186 -5.860 1.00 0.00 H new ATOM 23 N MET A 12 1.195 -18.265 0.697 1.00 0.00 N ATOM 24 CA MET A 12 0.789 -17.266 1.686 1.00 0.00 C ATOM 25 C MET A 12 2.007 -16.671 2.392 1.00 0.00 C ATOM 26 O MET A 12 2.135 -15.451 2.499 1.00 0.00 O ATOM 27 CB MET A 12 -0.161 -17.884 2.717 1.00 0.00 C ATOM 28 CG MET A 12 -1.496 -17.165 2.831 1.00 0.00 C ATOM 29 SD MET A 12 -1.838 -16.596 4.507 1.00 0.00 S ATOM 30 CE MET A 12 -3.331 -15.645 4.240 1.00 0.00 C ATOM 0 H MET A 12 0.787 -19.189 0.840 1.00 0.00 H new ATOM 0 HA MET A 12 0.268 -16.467 1.159 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.342 -18.926 2.452 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.326 -17.883 3.692 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.503 -16.311 2.153 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.293 -17.835 2.509 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.382 -14.836 4.968 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.321 -15.227 3.233 1.00 0.00 H new ATOM 0 HE3 MET A 12 -4.200 -16.292 4.356 1.00 0.00 H new ATOM 40 N LYS A 13 2.902 -17.542 2.862 1.00 0.00 N ATOM 41 CA LYS A 13 4.115 -17.102 3.548 1.00 0.00 C ATOM 42 C LYS A 13 4.967 -16.227 2.634 1.00 0.00 C ATOM 43 O LYS A 13 5.535 -15.232 3.074 1.00 0.00 O ATOM 44 CB LYS A 13 4.932 -18.305 4.026 1.00 0.00 C ATOM 45 CG LYS A 13 4.521 -18.815 5.399 1.00 0.00 C ATOM 46 CD LYS A 13 5.212 -20.128 5.737 1.00 0.00 C ATOM 47 CE LYS A 13 5.586 -20.207 7.211 1.00 0.00 C ATOM 48 NZ LYS A 13 6.573 -19.159 7.600 1.00 0.00 N ATOM 0 H LYS A 13 2.809 -18.554 2.780 1.00 0.00 H new ATOM 0 HA LYS A 13 3.814 -16.514 4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.830 -19.113 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.987 -18.030 4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.767 -18.068 6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.440 -18.954 5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.555 -20.960 5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.110 -20.234 5.128 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.687 -20.100 7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.001 -21.192 7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.120 -19.485 8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.218 -18.977 6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.070 -18.282 7.845 1.00 0.00 H new ATOM 62 N LYS A 14 5.046 -16.602 1.358 1.00 0.00 N ATOM 63 CA LYS A 14 5.825 -15.842 0.381 1.00 0.00 C ATOM 64 C LYS A 14 5.309 -14.405 0.258 1.00 0.00 C ATOM 65 O LYS A 14 6.098 -13.468 0.132 1.00 0.00 O ATOM 66 CB LYS A 14 5.782 -16.527 -0.990 1.00 0.00 C ATOM 67 CG LYS A 14 7.054 -17.290 -1.335 1.00 0.00 C ATOM 68 CD LYS A 14 8.205 -16.347 -1.659 1.00 0.00 C ATOM 69 CE LYS A 14 8.266 -16.021 -3.144 1.00 0.00 C ATOM 70 NZ LYS A 14 7.131 -15.155 -3.577 1.00 0.00 N ATOM 0 H LYS A 14 4.581 -17.426 0.977 1.00 0.00 H new ATOM 0 HA LYS A 14 6.856 -15.809 0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.938 -17.216 -1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.602 -15.774 -1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.333 -17.931 -0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.867 -17.943 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.091 -15.425 -1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.146 -16.801 -1.347 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.208 -15.520 -3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.254 -16.947 -3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.375 -14.685 -4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.281 -15.739 -3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.945 -14.437 -2.848 1.00 0.00 H new ATOM 84 N ILE A 15 3.985 -14.239 0.293 1.00 0.00 N ATOM 85 CA ILE A 15 3.373 -12.914 0.182 1.00 0.00 C ATOM 86 C ILE A 15 3.584 -12.093 1.455 1.00 0.00 C ATOM 87 O ILE A 15 4.002 -10.935 1.390 1.00 0.00 O ATOM 88 CB ILE A 15 1.854 -12.996 -0.111 1.00 0.00 C ATOM 89 CG1 ILE A 15 1.576 -13.913 -1.309 1.00 0.00 C ATOM 90 CG2 ILE A 15 1.289 -11.604 -0.368 1.00 0.00 C ATOM 91 CD1 ILE A 15 0.182 -14.504 -1.310 1.00 0.00 C ATOM 0 H ILE A 15 3.318 -15.004 0.397 1.00 0.00 H new ATOM 0 HA ILE A 15 3.868 -12.423 -0.656 1.00 0.00 H new ATOM 0 HB ILE A 15 1.361 -13.420 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.723 -13.348 -2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.305 -14.723 -1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.221 -11.677 -0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.448 -10.979 0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.793 -11.159 -1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.057 -15.141 -2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.037 -15.097 -0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.554 -13.700 -1.338 1.00 0.00 H new ATOM 103 N VAL A 16 3.286 -12.691 2.610 1.00 0.00 N ATOM 104 CA VAL A 16 3.438 -11.999 3.891 1.00 0.00 C ATOM 105 C VAL A 16 4.910 -11.751 4.228 1.00 0.00 C ATOM 106 O VAL A 16 5.267 -10.665 4.687 1.00 0.00 O ATOM 107 CB VAL A 16 2.762 -12.771 5.050 1.00 0.00 C ATOM 108 CG1 VAL A 16 3.381 -14.149 5.233 1.00 0.00 C ATOM 109 CG2 VAL A 16 2.841 -11.969 6.343 1.00 0.00 C ATOM 0 H VAL A 16 2.940 -13.648 2.685 1.00 0.00 H new ATOM 0 HA VAL A 16 2.937 -11.037 3.779 1.00 0.00 H new ATOM 0 HB VAL A 16 1.712 -12.911 4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.884 -14.665 6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.261 -14.726 4.316 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.442 -14.044 5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.361 -12.527 7.147 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.886 -11.792 6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.333 -11.014 6.210 1.00 0.00 H new ATOM 119 N ASP A 17 5.759 -12.756 3.996 1.00 0.00 N ATOM 120 CA ASP A 17 7.191 -12.634 4.277 1.00 0.00 C ATOM 121 C ASP A 17 7.825 -11.527 3.434 1.00 0.00 C ATOM 122 O ASP A 17 8.716 -10.818 3.902 1.00 0.00 O ATOM 123 CB ASP A 17 7.911 -13.962 4.017 1.00 0.00 C ATOM 124 CG ASP A 17 9.328 -13.967 4.558 1.00 0.00 C ATOM 125 OD1 ASP A 17 9.492 -14.050 5.794 1.00 0.00 O ATOM 126 OD2 ASP A 17 10.274 -13.882 3.746 1.00 0.00 O ATOM 0 H ASP A 17 5.480 -13.660 3.615 1.00 0.00 H new ATOM 0 HA ASP A 17 7.299 -12.374 5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.347 -14.774 4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.934 -14.156 2.945 1.00 0.00 H new ATOM 131 N ALA A 18 7.361 -11.382 2.192 1.00 0.00 N ATOM 132 CA ALA A 18 7.886 -10.356 1.294 1.00 0.00 C ATOM 133 C ALA A 18 7.494 -8.955 1.765 1.00 0.00 C ATOM 134 O ALA A 18 8.301 -8.026 1.706 1.00 0.00 O ATOM 135 CB ALA A 18 7.400 -10.591 -0.129 1.00 0.00 C ATOM 0 H ALA A 18 6.625 -11.961 1.787 1.00 0.00 H new ATOM 0 HA ALA A 18 8.974 -10.425 1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.801 -9.817 -0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.739 -11.568 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.311 -10.556 -0.152 1.00 0.00 H new ATOM 141 N VAL A 19 6.253 -8.810 2.234 1.00 0.00 N ATOM 142 CA VAL A 19 5.761 -7.519 2.713 1.00 0.00 C ATOM 143 C VAL A 19 6.357 -7.172 4.077 1.00 0.00 C ATOM 144 O VAL A 19 6.837 -6.057 4.284 1.00 0.00 O ATOM 145 CB VAL A 19 4.218 -7.486 2.811 1.00 0.00 C ATOM 146 CG1 VAL A 19 3.731 -6.074 3.111 1.00 0.00 C ATOM 147 CG2 VAL A 19 3.581 -8.011 1.530 1.00 0.00 C ATOM 0 H VAL A 19 5.573 -9.568 2.292 1.00 0.00 H new ATOM 0 HA VAL A 19 6.078 -6.778 1.979 1.00 0.00 H new ATOM 0 HB VAL A 19 3.916 -8.137 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.643 -6.071 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.152 -5.737 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.049 -5.402 2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.496 -7.978 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.892 -7.392 0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.899 -9.040 1.360 1.00 0.00 H new ATOM 157 N ILE A 20 6.330 -8.134 5.003 1.00 0.00 N ATOM 158 CA ILE A 20 6.876 -7.925 6.344 1.00 0.00 C ATOM 159 C ILE A 20 8.358 -7.548 6.289 1.00 0.00 C ATOM 160 O ILE A 20 8.830 -6.757 7.105 1.00 0.00 O ATOM 161 CB ILE A 20 6.683 -9.166 7.248 1.00 0.00 C ATOM 162 CG1 ILE A 20 7.071 -8.845 8.696 1.00 0.00 C ATOM 163 CG2 ILE A 20 7.491 -10.348 6.731 1.00 0.00 C ATOM 164 CD1 ILE A 20 6.130 -7.874 9.377 1.00 0.00 C ATOM 0 H ILE A 20 5.937 -9.062 4.848 1.00 0.00 H new ATOM 0 HA ILE A 20 6.318 -7.097 6.781 1.00 0.00 H new ATOM 0 HB ILE A 20 5.628 -9.439 7.224 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.100 -9.772 9.269 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.079 -8.430 8.709 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.338 -11.207 7.384 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.165 -10.597 5.721 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.549 -10.087 6.717 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.468 -7.695 10.398 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.119 -6.932 8.828 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.125 -8.295 9.396 1.00 0.00 H new ATOM 176 N LYS A 21 9.085 -8.114 5.321 1.00 0.00 N ATOM 177 CA LYS A 21 10.510 -7.823 5.164 1.00 0.00 C ATOM 178 C LYS A 21 10.751 -6.326 4.936 1.00 0.00 C ATOM 179 O LYS A 21 11.832 -5.817 5.239 1.00 0.00 O ATOM 180 CB LYS A 21 11.100 -8.628 4.000 1.00 0.00 C ATOM 181 CG LYS A 21 12.521 -9.111 4.247 1.00 0.00 C ATOM 182 CD LYS A 21 13.495 -8.528 3.233 1.00 0.00 C ATOM 183 CE LYS A 21 14.836 -8.198 3.873 1.00 0.00 C ATOM 184 NZ LYS A 21 15.950 -8.229 2.883 1.00 0.00 N ATOM 0 H LYS A 21 8.711 -8.773 4.638 1.00 0.00 H new ATOM 0 HA LYS A 21 11.009 -8.114 6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.462 -9.490 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.086 -8.012 3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.831 -8.831 5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.550 -10.199 4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.644 -9.238 2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.068 -7.626 2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.786 -7.210 4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.041 -8.910 4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.845 -7.999 3.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.015 -9.178 2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.768 -7.531 2.133 1.00 0.00 H new ATOM 198 N TYR A 22 9.742 -5.624 4.406 1.00 0.00 N ATOM 199 CA TYR A 22 9.853 -4.189 4.151 1.00 0.00 C ATOM 200 C TYR A 22 9.278 -3.371 5.318 1.00 0.00 C ATOM 201 O TYR A 22 8.604 -2.359 5.109 1.00 0.00 O ATOM 202 CB TYR A 22 9.141 -3.827 2.841 1.00 0.00 C ATOM 203 CG TYR A 22 9.656 -2.557 2.185 1.00 0.00 C ATOM 204 CD1 TYR A 22 10.414 -1.632 2.898 1.00 0.00 C ATOM 205 CD2 TYR A 22 9.379 -2.283 0.851 1.00 0.00 C ATOM 206 CE1 TYR A 22 10.880 -0.478 2.302 1.00 0.00 C ATOM 207 CE2 TYR A 22 9.841 -1.128 0.247 1.00 0.00 C ATOM 208 CZ TYR A 22 10.591 -0.229 0.978 1.00 0.00 C ATOM 209 OH TYR A 22 11.053 0.923 0.385 1.00 0.00 O ATOM 0 H TYR A 22 8.842 -6.029 4.147 1.00 0.00 H new ATOM 0 HA TYR A 22 10.911 -3.942 4.058 1.00 0.00 H new ATOM 0 HB2 TYR A 22 9.250 -4.655 2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.075 -3.714 3.039 1.00 0.00 H new ATOM 0 HD1 TYR A 22 10.641 -1.821 3.937 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.793 -2.984 0.276 1.00 0.00 H new ATOM 0 HE1 TYR A 22 11.469 0.227 2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.616 -0.931 -0.791 1.00 0.00 H new ATOM 0 HH TYR A 22 10.404 1.644 0.522 1.00 0.00 H new ATOM 219 N LYS A 23 9.562 -3.805 6.547 1.00 0.00 N ATOM 220 CA LYS A 23 9.091 -3.105 7.737 1.00 0.00 C ATOM 221 C LYS A 23 10.231 -2.296 8.352 1.00 0.00 C ATOM 222 O LYS A 23 11.224 -2.866 8.811 1.00 0.00 O ATOM 223 CB LYS A 23 8.539 -4.100 8.763 1.00 0.00 C ATOM 224 CG LYS A 23 7.519 -3.495 9.713 1.00 0.00 C ATOM 225 CD LYS A 23 6.114 -3.546 9.133 1.00 0.00 C ATOM 226 CE LYS A 23 5.080 -3.031 10.124 1.00 0.00 C ATOM 227 NZ LYS A 23 4.647 -1.638 9.811 1.00 0.00 N ATOM 0 H LYS A 23 10.116 -4.639 6.742 1.00 0.00 H new ATOM 0 HA LYS A 23 8.289 -2.427 7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.080 -4.936 8.235 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.367 -4.506 9.344 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.541 -4.032 10.661 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.788 -2.460 9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.074 -2.949 8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.872 -4.571 8.854 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.212 -3.690 10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.496 -3.063 11.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.319 -1.173 10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.448 -1.106 9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.872 -1.663 9.118 1.00 0.00 H new ATOM 241 N ASP A 24 10.089 -0.970 8.353 1.00 0.00 N ATOM 242 CA ASP A 24 11.118 -0.093 8.907 1.00 0.00 C ATOM 243 C ASP A 24 11.125 -0.160 10.431 1.00 0.00 C ATOM 244 O ASP A 24 10.143 0.202 11.080 1.00 0.00 O ATOM 245 CB ASP A 24 10.892 1.349 8.446 1.00 0.00 C ATOM 246 CG ASP A 24 12.128 2.210 8.619 1.00 0.00 C ATOM 247 OD1 ASP A 24 12.416 2.610 9.766 1.00 0.00 O ATOM 248 OD2 ASP A 24 12.807 2.481 7.608 1.00 0.00 O ATOM 0 H ASP A 24 9.275 -0.483 7.978 1.00 0.00 H new ATOM 0 HA ASP A 24 12.087 -0.434 8.543 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.595 1.350 7.397 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.067 1.784 9.011 1.00 0.00 H new ATOM 253 N SER A 25 12.242 -0.628 10.994 1.00 0.00 N ATOM 254 CA SER A 25 12.387 -0.751 12.445 1.00 0.00 C ATOM 255 C SER A 25 11.334 -1.705 13.026 1.00 0.00 C ATOM 256 O SER A 25 10.615 -2.377 12.282 1.00 0.00 O ATOM 257 CB SER A 25 12.290 0.630 13.108 1.00 0.00 C ATOM 258 OG SER A 25 13.541 1.026 13.644 1.00 0.00 O ATOM 0 H SER A 25 13.060 -0.928 10.465 1.00 0.00 H new ATOM 0 HA SER A 25 13.371 -1.171 12.655 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.955 1.365 12.377 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.542 0.605 13.901 1.00 0.00 H new ATOM 0 HG SER A 25 13.454 1.909 14.059 1.00 0.00 H new ATOM 264 N SER A 26 11.247 -1.755 14.357 1.00 0.00 N ATOM 265 CA SER A 26 10.282 -2.619 15.033 1.00 0.00 C ATOM 266 C SER A 26 8.901 -1.966 15.083 1.00 0.00 C ATOM 267 O SER A 26 7.889 -2.656 15.211 1.00 0.00 O ATOM 268 CB SER A 26 10.757 -2.939 16.455 1.00 0.00 C ATOM 269 OG SER A 26 11.563 -4.105 16.474 1.00 0.00 O ATOM 0 H SER A 26 11.834 -1.207 14.986 1.00 0.00 H new ATOM 0 HA SER A 26 10.206 -3.545 14.464 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.323 -2.096 16.851 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.895 -3.079 17.107 1.00 0.00 H new ATOM 0 HG SER A 26 11.854 -4.286 17.392 1.00 0.00 H new ATOM 275 N SER A 27 8.863 -0.634 14.986 1.00 0.00 N ATOM 276 CA SER A 27 7.602 0.100 15.027 1.00 0.00 C ATOM 277 C SER A 27 6.954 0.201 13.640 1.00 0.00 C ATOM 278 O SER A 27 5.751 0.450 13.533 1.00 0.00 O ATOM 279 CB SER A 27 7.828 1.502 15.597 1.00 0.00 C ATOM 280 OG SER A 27 8.572 2.310 14.697 1.00 0.00 O ATOM 0 H SER A 27 9.690 -0.046 14.879 1.00 0.00 H new ATOM 0 HA SER A 27 6.921 -0.454 15.674 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.867 1.973 15.802 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.357 1.430 16.547 1.00 0.00 H new ATOM 0 HG SER A 27 9.215 2.852 15.200 1.00 0.00 H new ATOM 286 N GLY A 28 7.749 0.010 12.586 1.00 0.00 N ATOM 287 CA GLY A 28 7.226 0.092 11.231 1.00 0.00 C ATOM 288 C GLY A 28 6.916 1.518 10.808 1.00 0.00 C ATOM 289 O GLY A 28 6.019 1.747 9.994 1.00 0.00 O ATOM 0 H GLY A 28 8.745 -0.200 12.647 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.950 -0.338 10.540 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.320 -0.509 11.159 1.00 0.00 H new ATOM 293 N ARG A 29 7.660 2.479 11.362 1.00 0.00 N ATOM 294 CA ARG A 29 7.464 3.890 11.043 1.00 0.00 C ATOM 295 C ARG A 29 8.309 4.296 9.840 1.00 0.00 C ATOM 296 O ARG A 29 9.491 3.956 9.762 1.00 0.00 O ATOM 297 CB ARG A 29 7.823 4.764 12.249 1.00 0.00 C ATOM 298 CG ARG A 29 6.839 4.653 13.403 1.00 0.00 C ATOM 299 CD ARG A 29 7.394 5.282 14.675 1.00 0.00 C ATOM 300 NE ARG A 29 6.532 5.038 15.834 1.00 0.00 N ATOM 301 CZ ARG A 29 6.725 5.587 17.037 1.00 0.00 C ATOM 302 NH1 ARG A 29 7.748 6.414 17.244 1.00 0.00 N ATOM 303 NH2 ARG A 29 5.894 5.312 18.037 1.00 0.00 N ATOM 0 H ARG A 29 8.405 2.302 12.035 1.00 0.00 H new ATOM 0 HA ARG A 29 6.413 4.038 10.796 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.816 4.488 12.603 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.877 5.804 11.929 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.903 5.142 13.133 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.609 3.603 13.586 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.388 4.881 14.873 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.507 6.356 14.528 1.00 0.00 H new ATOM 0 HE ARG A 29 5.736 4.411 15.716 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.390 6.632 16.482 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.890 6.830 18.165 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.107 4.681 17.887 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.043 5.732 18.954 1.00 0.00 H new ATOM 317 N GLN A 30 7.697 5.023 8.904 1.00 0.00 N ATOM 318 CA GLN A 30 8.393 5.473 7.699 1.00 0.00 C ATOM 319 C GLN A 30 7.557 6.492 6.921 1.00 0.00 C ATOM 320 O GLN A 30 6.456 6.855 7.335 1.00 0.00 O ATOM 321 CB GLN A 30 8.711 4.275 6.796 1.00 0.00 C ATOM 322 CG GLN A 30 10.160 4.219 6.341 1.00 0.00 C ATOM 323 CD GLN A 30 10.325 3.547 4.988 1.00 0.00 C ATOM 324 OE1 GLN A 30 10.983 4.079 4.097 1.00 0.00 O ATOM 325 NE2 GLN A 30 9.725 2.371 4.827 1.00 0.00 N ATOM 0 H GLN A 30 6.720 5.313 8.958 1.00 0.00 H new ATOM 0 HA GLN A 30 9.320 5.954 8.010 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.472 3.355 7.330 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.065 4.311 5.919 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.560 5.232 6.290 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.749 3.681 7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.188 1.964 5.592 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.802 1.877 3.938 1.00 0.00 H new ATOM 334 N LEU A 31 8.089 6.938 5.781 1.00 0.00 N ATOM 335 CA LEU A 31 7.396 7.904 4.925 1.00 0.00 C ATOM 336 C LEU A 31 6.075 7.329 4.407 1.00 0.00 C ATOM 337 O LEU A 31 5.093 8.055 4.253 1.00 0.00 O ATOM 338 CB LEU A 31 8.283 8.332 3.745 1.00 0.00 C ATOM 339 CG LEU A 31 9.025 7.202 3.019 1.00 0.00 C ATOM 340 CD1 LEU A 31 8.954 7.400 1.511 1.00 0.00 C ATOM 341 CD2 LEU A 31 10.475 7.132 3.480 1.00 0.00 C ATOM 0 H LEU A 31 9.000 6.645 5.428 1.00 0.00 H new ATOM 0 HA LEU A 31 7.178 8.783 5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.661 8.856 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.019 9.048 4.110 1.00 0.00 H new ATOM 0 HG LEU A 31 8.540 6.258 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.485 6.590 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.911 7.400 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.414 8.352 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.985 6.325 2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.972 8.078 3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.507 6.943 4.553 1.00 0.00 H new ATOM 353 N SER A 32 6.062 6.019 4.143 1.00 0.00 N ATOM 354 CA SER A 32 4.865 5.338 3.643 1.00 0.00 C ATOM 355 C SER A 32 3.821 5.112 4.749 1.00 0.00 C ATOM 356 O SER A 32 2.744 4.575 4.483 1.00 0.00 O ATOM 357 CB SER A 32 5.251 3.997 3.013 1.00 0.00 C ATOM 358 OG SER A 32 4.199 3.484 2.213 1.00 0.00 O ATOM 0 H SER A 32 6.869 5.408 4.268 1.00 0.00 H new ATOM 0 HA SER A 32 4.413 5.985 2.891 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.146 4.123 2.404 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.497 3.281 3.797 1.00 0.00 H new ATOM 0 HG SER A 32 3.342 3.634 2.664 1.00 0.00 H new ATOM 364 N GLU A 33 4.132 5.529 5.983 1.00 0.00 N ATOM 365 CA GLU A 33 3.207 5.369 7.106 1.00 0.00 C ATOM 366 C GLU A 33 1.865 6.049 6.818 1.00 0.00 C ATOM 367 O GLU A 33 0.827 5.625 7.329 1.00 0.00 O ATOM 368 CB GLU A 33 3.816 5.948 8.384 1.00 0.00 C ATOM 369 CG GLU A 33 3.155 5.446 9.657 1.00 0.00 C ATOM 370 CD GLU A 33 2.916 6.553 10.664 1.00 0.00 C ATOM 371 OE1 GLU A 33 3.895 7.002 11.296 1.00 0.00 O ATOM 372 OE2 GLU A 33 1.749 6.973 10.818 1.00 0.00 O ATOM 0 H GLU A 33 5.015 5.978 6.226 1.00 0.00 H new ATOM 0 HA GLU A 33 3.031 4.302 7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.877 5.701 8.414 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.742 7.035 8.351 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.204 4.975 9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.782 4.678 10.109 1.00 0.00 H new ATOM 379 N VAL A 34 1.893 7.095 5.989 1.00 0.00 N ATOM 380 CA VAL A 34 0.678 7.825 5.625 1.00 0.00 C ATOM 381 C VAL A 34 -0.323 6.905 4.920 1.00 0.00 C ATOM 382 O VAL A 34 -1.535 7.092 5.035 1.00 0.00 O ATOM 383 CB VAL A 34 0.997 9.018 4.697 1.00 0.00 C ATOM 384 CG1 VAL A 34 -0.231 9.895 4.503 1.00 0.00 C ATOM 385 CG2 VAL A 34 2.165 9.834 5.240 1.00 0.00 C ATOM 0 H VAL A 34 2.744 7.455 5.557 1.00 0.00 H new ATOM 0 HA VAL A 34 0.241 8.198 6.551 1.00 0.00 H new ATOM 0 HB VAL A 34 1.287 8.620 3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.017 10.729 3.846 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.032 9.306 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.560 10.279 5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.370 10.668 4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.912 10.218 6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.049 9.201 5.312 1.00 0.00 H new ATOM 395 N PHE A 35 0.192 5.911 4.196 1.00 0.00 N ATOM 396 CA PHE A 35 -0.657 4.960 3.479 1.00 0.00 C ATOM 397 C PHE A 35 -0.961 3.726 4.332 1.00 0.00 C ATOM 398 O PHE A 35 -1.943 3.028 4.086 1.00 0.00 O ATOM 399 CB PHE A 35 0.005 4.529 2.168 1.00 0.00 C ATOM 400 CG PHE A 35 0.502 5.675 1.332 1.00 0.00 C ATOM 401 CD1 PHE A 35 -0.389 6.536 0.710 1.00 0.00 C ATOM 402 CD2 PHE A 35 1.861 5.891 1.170 1.00 0.00 C ATOM 403 CE1 PHE A 35 0.067 7.589 -0.059 1.00 0.00 C ATOM 404 CE2 PHE A 35 2.323 6.943 0.402 1.00 0.00 C ATOM 405 CZ PHE A 35 1.425 7.793 -0.213 1.00 0.00 C ATOM 0 H PHE A 35 1.193 5.744 4.091 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.597 5.465 3.258 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.841 3.868 2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.710 3.950 1.584 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.451 6.382 0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.567 5.230 1.649 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.637 8.252 -0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.385 7.100 0.283 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.784 8.616 -0.813 1.00 0.00 H new ATOM 415 N ILE A 36 -0.118 3.456 5.334 1.00 0.00 N ATOM 416 CA ILE A 36 -0.319 2.301 6.208 1.00 0.00 C ATOM 417 C ILE A 36 -1.663 2.398 6.937 1.00 0.00 C ATOM 418 O ILE A 36 -2.372 1.401 7.073 1.00 0.00 O ATOM 419 CB ILE A 36 0.819 2.154 7.247 1.00 0.00 C ATOM 420 CG1 ILE A 36 2.175 2.053 6.541 1.00 0.00 C ATOM 421 CG2 ILE A 36 0.590 0.928 8.126 1.00 0.00 C ATOM 422 CD1 ILE A 36 3.345 1.883 7.487 1.00 0.00 C ATOM 0 H ILE A 36 0.703 4.018 5.557 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.314 1.418 5.568 1.00 0.00 H new ATOM 0 HB ILE A 36 0.819 3.039 7.883 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.153 1.210 5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.331 2.951 5.943 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.401 0.842 8.850 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.358 1.031 8.654 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.564 0.034 7.503 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.270 1.819 6.914 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.395 2.738 8.162 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.214 0.970 8.067 1.00 0.00 H new ATOM 434 N GLN A 37 -2.005 3.604 7.396 1.00 0.00 N ATOM 435 CA GLN A 37 -3.263 3.831 8.104 1.00 0.00 C ATOM 436 C GLN A 37 -4.169 4.776 7.314 1.00 0.00 C ATOM 437 O GLN A 37 -3.732 5.836 6.863 1.00 0.00 O ATOM 438 CB GLN A 37 -2.991 4.410 9.496 1.00 0.00 C ATOM 439 CG GLN A 37 -2.495 3.382 10.502 1.00 0.00 C ATOM 440 CD GLN A 37 -2.441 3.927 11.920 1.00 0.00 C ATOM 441 OE1 GLN A 37 -3.181 4.843 12.276 1.00 0.00 O ATOM 442 NE2 GLN A 37 -1.561 3.361 12.741 1.00 0.00 N ATOM 0 H GLN A 37 -1.427 4.438 7.289 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.771 2.873 8.209 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.252 5.207 9.410 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.906 4.864 9.876 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.149 2.510 10.477 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.501 3.043 10.209 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.965 2.604 12.407 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.482 3.684 13.705 1.00 0.00 H new ATOM 451 N LEU A 38 -5.435 4.384 7.153 1.00 0.00 N ATOM 452 CA LEU A 38 -6.406 5.195 6.419 1.00 0.00 C ATOM 453 C LEU A 38 -7.362 5.909 7.375 1.00 0.00 C ATOM 454 O LEU A 38 -7.856 5.308 8.331 1.00 0.00 O ATOM 455 CB LEU A 38 -7.202 4.317 5.448 1.00 0.00 C ATOM 456 CG LEU A 38 -7.587 4.983 4.124 1.00 0.00 C ATOM 457 CD1 LEU A 38 -6.345 5.428 3.364 1.00 0.00 C ATOM 458 CD2 LEU A 38 -8.425 4.035 3.274 1.00 0.00 C ATOM 0 H LEU A 38 -5.810 3.510 7.521 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.857 5.949 5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.617 3.424 5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.113 3.986 5.947 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.185 5.867 4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.641 5.899 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.786 6.143 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.718 4.562 3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.690 4.524 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.851 3.132 3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.334 3.769 3.814 1.00 0.00 H new ATOM 470 N PRO A 39 -7.644 7.206 7.125 1.00 0.00 N ATOM 471 CA PRO A 39 -8.552 7.996 7.964 1.00 0.00 C ATOM 472 C PRO A 39 -10.025 7.695 7.668 1.00 0.00 C ATOM 473 O PRO A 39 -10.338 6.782 6.901 1.00 0.00 O ATOM 474 CB PRO A 39 -8.206 9.435 7.576 1.00 0.00 C ATOM 475 CG PRO A 39 -7.776 9.342 6.153 1.00 0.00 C ATOM 476 CD PRO A 39 -7.103 8.002 6.001 1.00 0.00 C ATOM 0 HA PRO A 39 -8.431 7.782 9.026 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.066 10.095 7.689 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.412 9.836 8.206 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.631 9.426 5.482 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.092 10.152 5.900 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.335 7.545 5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.018 8.090 6.059 1.00 0.00 H new ATOM 484 N SER A 40 -10.923 8.472 8.274 1.00 0.00 N ATOM 485 CA SER A 40 -12.358 8.290 8.071 1.00 0.00 C ATOM 486 C SER A 40 -12.898 9.303 7.063 1.00 0.00 C ATOM 487 O SER A 40 -12.357 10.402 6.927 1.00 0.00 O ATOM 488 CB SER A 40 -13.104 8.428 9.402 1.00 0.00 C ATOM 489 OG SER A 40 -14.116 7.443 9.526 1.00 0.00 O ATOM 0 H SER A 40 -10.681 9.233 8.909 1.00 0.00 H new ATOM 0 HA SER A 40 -12.520 7.288 7.674 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.399 8.335 10.228 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.548 9.421 9.472 1.00 0.00 H new ATOM 0 HG SER A 40 -14.575 7.552 10.385 1.00 0.00 H new ATOM 495 N ARG A 41 -13.972 8.928 6.363 1.00 0.00 N ATOM 496 CA ARG A 41 -14.591 9.810 5.369 1.00 0.00 C ATOM 497 C ARG A 41 -15.009 11.140 6.000 1.00 0.00 C ATOM 498 O ARG A 41 -14.955 12.184 5.351 1.00 0.00 O ATOM 499 CB ARG A 41 -15.805 9.129 4.725 1.00 0.00 C ATOM 500 CG ARG A 41 -16.234 9.766 3.411 1.00 0.00 C ATOM 501 CD ARG A 41 -17.374 8.997 2.758 1.00 0.00 C ATOM 502 NE ARG A 41 -18.037 9.779 1.714 1.00 0.00 N ATOM 503 CZ ARG A 41 -18.919 10.756 1.953 1.00 0.00 C ATOM 504 NH1 ARG A 41 -19.242 11.083 3.203 1.00 0.00 N ATOM 505 NH2 ARG A 41 -19.477 11.408 0.938 1.00 0.00 N ATOM 0 H ARG A 41 -14.430 8.022 6.465 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.850 10.014 4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.572 8.078 4.551 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -16.641 9.159 5.424 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -16.545 10.795 3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.384 9.804 2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -16.988 8.073 2.328 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.103 8.715 3.518 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.812 9.566 0.742 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -18.816 10.587 3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -19.915 11.829 3.377 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -19.233 11.163 -0.022 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -20.150 12.153 1.119 1.00 0.00 H new ATOM 519 N LYS A 42 -15.413 11.096 7.272 1.00 0.00 N ATOM 520 CA LYS A 42 -15.822 12.302 7.988 1.00 0.00 C ATOM 521 C LYS A 42 -14.615 13.204 8.254 1.00 0.00 C ATOM 522 O LYS A 42 -14.731 14.430 8.227 1.00 0.00 O ATOM 523 CB LYS A 42 -16.504 11.935 9.310 1.00 0.00 C ATOM 524 CG LYS A 42 -17.965 12.357 9.380 1.00 0.00 C ATOM 525 CD LYS A 42 -18.839 11.274 9.999 1.00 0.00 C ATOM 526 CE LYS A 42 -18.810 11.328 11.520 1.00 0.00 C ATOM 527 NZ LYS A 42 -18.167 10.122 12.111 1.00 0.00 N ATOM 0 H LYS A 42 -15.465 10.240 7.824 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.533 12.844 7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -16.439 10.857 9.456 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.960 12.401 10.131 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -18.051 13.272 9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -18.326 12.586 8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -19.865 11.391 9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.498 10.295 9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.271 12.220 11.840 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -19.828 11.418 11.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.169 10.201 13.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.696 9.272 11.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.187 10.049 11.771 1.00 0.00 H new ATOM 541 N GLU A 43 -13.460 12.590 8.507 1.00 0.00 N ATOM 542 CA GLU A 43 -12.233 13.336 8.773 1.00 0.00 C ATOM 543 C GLU A 43 -11.589 13.835 7.475 1.00 0.00 C ATOM 544 O GLU A 43 -10.987 14.908 7.453 1.00 0.00 O ATOM 545 CB GLU A 43 -11.241 12.470 9.555 1.00 0.00 C ATOM 546 CG GLU A 43 -10.673 13.158 10.790 1.00 0.00 C ATOM 547 CD GLU A 43 -11.688 13.315 11.914 1.00 0.00 C ATOM 548 OE1 GLU A 43 -12.907 13.273 11.640 1.00 0.00 O ATOM 549 OE2 GLU A 43 -11.258 13.480 13.074 1.00 0.00 O ATOM 0 H GLU A 43 -13.349 11.576 8.533 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.497 14.206 9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.737 11.548 9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.420 12.188 8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.821 12.585 11.157 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.298 14.142 10.509 1.00 0.00 H new ATOM 556 N LEU A 44 -11.719 13.055 6.399 1.00 0.00 N ATOM 557 CA LEU A 44 -11.148 13.429 5.104 1.00 0.00 C ATOM 558 C LEU A 44 -12.192 13.307 3.989 1.00 0.00 C ATOM 559 O LEU A 44 -12.067 12.464 3.096 1.00 0.00 O ATOM 560 CB LEU A 44 -9.924 12.557 4.786 1.00 0.00 C ATOM 561 CG LEU A 44 -8.581 13.291 4.767 1.00 0.00 C ATOM 562 CD1 LEU A 44 -8.609 14.445 3.774 1.00 0.00 C ATOM 563 CD2 LEU A 44 -8.229 13.787 6.162 1.00 0.00 C ATOM 0 H LEU A 44 -12.213 12.163 6.399 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.831 14.470 5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.870 11.755 5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.076 12.088 3.814 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.810 12.590 4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.644 14.952 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.813 14.060 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.390 15.150 4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.271 14.307 6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.003 14.471 6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.160 12.939 6.843 1.00 0.00 H new ATOM 575 N PRO A 45 -13.244 14.150 4.024 1.00 0.00 N ATOM 576 CA PRO A 45 -14.309 14.130 3.011 1.00 0.00 C ATOM 577 C PRO A 45 -13.784 14.438 1.609 1.00 0.00 C ATOM 578 O PRO A 45 -14.223 13.831 0.630 1.00 0.00 O ATOM 579 CB PRO A 45 -15.277 15.229 3.469 1.00 0.00 C ATOM 580 CG PRO A 45 -14.950 15.469 4.903 1.00 0.00 C ATOM 581 CD PRO A 45 -13.483 15.187 5.045 1.00 0.00 C ATOM 0 HA PRO A 45 -14.771 13.146 2.937 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.149 16.137 2.879 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -16.314 14.915 3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -15.180 16.495 5.189 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.537 14.818 5.551 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.881 16.078 4.864 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -13.235 14.833 6.046 1.00 0.00 H new ATOM 589 N GLU A 46 -12.841 15.380 1.524 1.00 0.00 N ATOM 590 CA GLU A 46 -12.250 15.772 0.242 1.00 0.00 C ATOM 591 C GLU A 46 -11.515 14.600 -0.404 1.00 0.00 C ATOM 592 O GLU A 46 -11.509 14.462 -1.629 1.00 0.00 O ATOM 593 CB GLU A 46 -11.283 16.949 0.425 1.00 0.00 C ATOM 594 CG GLU A 46 -11.838 18.085 1.273 1.00 0.00 C ATOM 595 CD GLU A 46 -11.353 18.035 2.709 1.00 0.00 C ATOM 596 OE1 GLU A 46 -10.128 18.147 2.930 1.00 0.00 O ATOM 597 OE2 GLU A 46 -12.199 17.877 3.614 1.00 0.00 O ATOM 0 H GLU A 46 -12.470 15.886 2.329 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.064 16.080 -0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.365 16.583 0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.015 17.340 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.550 19.038 0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.927 18.044 1.260 1.00 0.00 H new ATOM 604 N TYR A 47 -10.901 13.753 0.425 1.00 0.00 N ATOM 605 CA TYR A 47 -10.173 12.591 -0.069 1.00 0.00 C ATOM 606 C TYR A 47 -11.095 11.670 -0.865 1.00 0.00 C ATOM 607 O TYR A 47 -10.729 11.198 -1.938 1.00 0.00 O ATOM 608 CB TYR A 47 -9.536 11.823 1.092 1.00 0.00 C ATOM 609 CG TYR A 47 -8.121 11.369 0.810 1.00 0.00 C ATOM 610 CD1 TYR A 47 -7.059 12.261 0.887 1.00 0.00 C ATOM 611 CD2 TYR A 47 -7.850 10.051 0.464 1.00 0.00 C ATOM 612 CE1 TYR A 47 -5.766 11.853 0.628 1.00 0.00 C ATOM 613 CE2 TYR A 47 -6.558 9.636 0.204 1.00 0.00 C ATOM 614 CZ TYR A 47 -5.519 10.540 0.286 1.00 0.00 C ATOM 615 OH TYR A 47 -4.231 10.129 0.026 1.00 0.00 O ATOM 0 H TYR A 47 -10.896 13.853 1.440 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.383 12.945 -0.731 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.536 12.456 1.979 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.150 10.952 1.321 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.248 13.290 1.154 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.661 9.341 0.397 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.951 12.559 0.693 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.362 8.608 -0.062 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.231 9.175 -0.199 1.00 0.00 H new ATOM 625 N TYR A 48 -12.295 11.426 -0.336 1.00 0.00 N ATOM 626 CA TYR A 48 -13.268 10.567 -1.010 1.00 0.00 C ATOM 627 C TYR A 48 -13.740 11.186 -2.330 1.00 0.00 C ATOM 628 O TYR A 48 -14.057 10.467 -3.278 1.00 0.00 O ATOM 629 CB TYR A 48 -14.470 10.291 -0.101 1.00 0.00 C ATOM 630 CG TYR A 48 -14.826 8.823 0.000 1.00 0.00 C ATOM 631 CD1 TYR A 48 -14.016 7.940 0.703 1.00 0.00 C ATOM 632 CD2 TYR A 48 -15.970 8.320 -0.608 1.00 0.00 C ATOM 633 CE1 TYR A 48 -14.334 6.599 0.796 1.00 0.00 C ATOM 634 CE2 TYR A 48 -16.296 6.980 -0.517 1.00 0.00 C ATOM 635 CZ TYR A 48 -15.475 6.124 0.186 1.00 0.00 C ATOM 636 OH TYR A 48 -15.796 4.788 0.279 1.00 0.00 O ATOM 0 H TYR A 48 -12.615 11.810 0.553 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.771 9.623 -1.234 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.257 10.674 0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.333 10.841 -0.476 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.122 8.308 1.185 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -16.615 8.987 -1.161 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.692 5.926 1.344 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -17.189 6.605 -0.994 1.00 0.00 H new ATOM 0 HH TYR A 48 -16.631 4.618 -0.205 1.00 0.00 H new ATOM 646 N GLU A 49 -13.786 12.521 -2.382 1.00 0.00 N ATOM 647 CA GLU A 49 -14.221 13.231 -3.587 1.00 0.00 C ATOM 648 C GLU A 49 -13.276 12.969 -4.758 1.00 0.00 C ATOM 649 O GLU A 49 -13.720 12.659 -5.865 1.00 0.00 O ATOM 650 CB GLU A 49 -14.309 14.739 -3.323 1.00 0.00 C ATOM 651 CG GLU A 49 -15.329 15.118 -2.261 1.00 0.00 C ATOM 652 CD GLU A 49 -15.420 16.618 -2.041 1.00 0.00 C ATOM 653 OE1 GLU A 49 -15.805 17.336 -2.988 1.00 0.00 O ATOM 654 OE2 GLU A 49 -15.113 17.072 -0.919 1.00 0.00 O ATOM 0 H GLU A 49 -13.528 13.130 -1.605 1.00 0.00 H new ATOM 0 HA GLU A 49 -15.209 12.854 -3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.328 15.103 -3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.562 15.247 -4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.308 14.738 -2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.066 14.633 -1.321 1.00 0.00 H new ATOM 661 N LEU A 50 -11.972 13.099 -4.511 1.00 0.00 N ATOM 662 CA LEU A 50 -10.970 12.881 -5.551 1.00 0.00 C ATOM 663 C LEU A 50 -10.534 11.417 -5.606 1.00 0.00 C ATOM 664 O LEU A 50 -10.721 10.745 -6.622 1.00 0.00 O ATOM 665 CB LEU A 50 -9.756 13.788 -5.327 1.00 0.00 C ATOM 666 CG LEU A 50 -8.729 13.791 -6.464 1.00 0.00 C ATOM 667 CD1 LEU A 50 -9.328 14.390 -7.728 1.00 0.00 C ATOM 668 CD2 LEU A 50 -7.477 14.552 -6.049 1.00 0.00 C ATOM 0 H LEU A 50 -11.587 13.354 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.426 13.133 -6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.108 14.808 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.257 13.481 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.449 12.759 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.582 14.383 -8.523 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.192 13.801 -8.036 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.639 15.416 -7.532 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.758 14.544 -6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.740 15.582 -5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.035 14.076 -5.174 1.00 0.00 H new ATOM 680 N ILE A 51 -9.956 10.932 -4.513 1.00 0.00 N ATOM 681 CA ILE A 51 -9.493 9.546 -4.437 1.00 0.00 C ATOM 682 C ILE A 51 -10.676 8.577 -4.421 1.00 0.00 C ATOM 683 O ILE A 51 -11.524 8.634 -3.527 1.00 0.00 O ATOM 684 CB ILE A 51 -8.614 9.297 -3.188 1.00 0.00 C ATOM 685 CG1 ILE A 51 -7.499 10.346 -3.088 1.00 0.00 C ATOM 686 CG2 ILE A 51 -8.022 7.892 -3.219 1.00 0.00 C ATOM 687 CD1 ILE A 51 -6.613 10.421 -4.315 1.00 0.00 C ATOM 0 H ILE A 51 -9.795 11.476 -3.665 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.887 9.369 -5.326 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.247 9.386 -2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.948 11.324 -2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.881 10.122 -2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.407 7.737 -2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.828 7.158 -3.235 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.407 7.776 -4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.850 11.185 -4.167 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.133 9.456 -4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.218 10.676 -5.185 1.00 0.00 H new ATOM 699 N ARG A 52 -10.726 7.693 -5.419 1.00 0.00 N ATOM 700 CA ARG A 52 -11.804 6.712 -5.530 1.00 0.00 C ATOM 701 C ARG A 52 -11.553 5.513 -4.613 1.00 0.00 C ATOM 702 O ARG A 52 -11.040 4.481 -5.049 1.00 0.00 O ATOM 703 CB ARG A 52 -11.950 6.246 -6.983 1.00 0.00 C ATOM 704 CG ARG A 52 -13.277 5.564 -7.280 1.00 0.00 C ATOM 705 CD ARG A 52 -13.843 5.997 -8.627 1.00 0.00 C ATOM 706 NE ARG A 52 -14.329 4.861 -9.414 1.00 0.00 N ATOM 707 CZ ARG A 52 -15.175 4.970 -10.446 1.00 0.00 C ATOM 708 NH1 ARG A 52 -15.628 6.162 -10.828 1.00 0.00 N ATOM 709 NH2 ARG A 52 -15.566 3.881 -11.100 1.00 0.00 N ATOM 0 H ARG A 52 -10.030 7.637 -6.163 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.731 7.191 -5.216 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.839 7.106 -7.643 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.138 5.557 -7.217 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.140 4.483 -7.273 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.992 5.800 -6.492 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.659 6.701 -8.467 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.073 6.524 -9.190 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.002 3.929 -9.160 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.331 7.003 -10.333 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.272 6.234 -11.615 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.222 2.964 -10.815 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.210 3.962 -11.886 1.00 0.00 H new ATOM 723 N LYS A 53 -11.927 5.662 -3.340 1.00 0.00 N ATOM 724 CA LYS A 53 -11.760 4.603 -2.342 1.00 0.00 C ATOM 725 C LYS A 53 -10.294 4.173 -2.218 1.00 0.00 C ATOM 726 O LYS A 53 -9.856 3.221 -2.869 1.00 0.00 O ATOM 727 CB LYS A 53 -12.637 3.397 -2.693 1.00 0.00 C ATOM 728 CG LYS A 53 -12.953 2.506 -1.500 1.00 0.00 C ATOM 729 CD LYS A 53 -12.961 1.034 -1.885 1.00 0.00 C ATOM 730 CE LYS A 53 -11.616 0.373 -1.608 1.00 0.00 C ATOM 731 NZ LYS A 53 -10.641 0.590 -2.715 1.00 0.00 N ATOM 0 H LYS A 53 -12.351 6.514 -2.974 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.074 5.004 -1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.571 3.752 -3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.135 2.803 -3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.215 2.673 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.924 2.780 -1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.743 0.516 -1.329 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.204 0.936 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.203 0.769 -0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.763 -0.697 -1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.927 -0.166 -2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.142 0.578 -3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.173 1.510 -2.590 1.00 0.00 H new ATOM 745 N PRO A 54 -9.513 4.871 -1.372 1.00 0.00 N ATOM 746 CA PRO A 54 -8.096 4.554 -1.164 1.00 0.00 C ATOM 747 C PRO A 54 -7.891 3.245 -0.399 1.00 0.00 C ATOM 748 O PRO A 54 -8.825 2.712 0.204 1.00 0.00 O ATOM 749 CB PRO A 54 -7.581 5.744 -0.349 1.00 0.00 C ATOM 750 CG PRO A 54 -8.781 6.264 0.362 1.00 0.00 C ATOM 751 CD PRO A 54 -9.950 6.021 -0.555 1.00 0.00 C ATOM 0 HA PRO A 54 -7.571 4.408 -2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.807 5.437 0.354 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.142 6.505 -0.994 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.921 5.753 1.315 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.673 7.326 0.582 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -10.858 5.795 0.004 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.164 6.894 -1.172 1.00 0.00 H new ATOM 759 N VAL A 55 -6.660 2.736 -0.435 1.00 0.00 N ATOM 760 CA VAL A 55 -6.312 1.489 0.244 1.00 0.00 C ATOM 761 C VAL A 55 -5.145 1.702 1.206 1.00 0.00 C ATOM 762 O VAL A 55 -4.197 2.423 0.892 1.00 0.00 O ATOM 763 CB VAL A 55 -5.928 0.383 -0.766 1.00 0.00 C ATOM 764 CG1 VAL A 55 -5.679 -0.940 -0.054 1.00 0.00 C ATOM 765 CG2 VAL A 55 -7.002 0.226 -1.837 1.00 0.00 C ATOM 0 H VAL A 55 -5.882 3.172 -0.931 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.195 1.173 0.800 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.002 0.684 -1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.411 -1.702 -0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.865 -0.821 0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.583 -1.245 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.708 -0.558 -2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.948 -0.043 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.119 1.166 -2.376 1.00 0.00 H new ATOM 775 N ASP A 56 -5.219 1.070 2.375 1.00 0.00 N ATOM 776 CA ASP A 56 -4.165 1.189 3.378 1.00 0.00 C ATOM 777 C ASP A 56 -3.643 -0.184 3.802 1.00 0.00 C ATOM 778 O ASP A 56 -4.260 -1.212 3.517 1.00 0.00 O ATOM 779 CB ASP A 56 -4.668 1.977 4.596 1.00 0.00 C ATOM 780 CG ASP A 56 -5.684 1.217 5.434 1.00 0.00 C ATOM 781 OD1 ASP A 56 -6.530 0.504 4.855 1.00 0.00 O ATOM 782 OD2 ASP A 56 -5.635 1.343 6.672 1.00 0.00 O ATOM 0 H ASP A 56 -5.997 0.471 2.650 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.336 1.735 2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.817 2.242 5.224 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.116 2.910 4.255 1.00 0.00 H new ATOM 787 N PHE A 57 -2.495 -0.185 4.478 1.00 0.00 N ATOM 788 CA PHE A 57 -1.861 -1.423 4.946 1.00 0.00 C ATOM 789 C PHE A 57 -2.756 -2.203 5.912 1.00 0.00 C ATOM 790 O PHE A 57 -2.691 -3.433 5.968 1.00 0.00 O ATOM 791 CB PHE A 57 -0.519 -1.103 5.619 1.00 0.00 C ATOM 792 CG PHE A 57 0.300 -2.317 5.974 1.00 0.00 C ATOM 793 CD1 PHE A 57 0.877 -3.098 4.985 1.00 0.00 C ATOM 794 CD2 PHE A 57 0.495 -2.672 7.301 1.00 0.00 C ATOM 795 CE1 PHE A 57 1.633 -4.208 5.311 1.00 0.00 C ATOM 796 CE2 PHE A 57 1.249 -3.783 7.632 1.00 0.00 C ATOM 797 CZ PHE A 57 1.819 -4.551 6.636 1.00 0.00 C ATOM 0 H PHE A 57 -1.980 0.662 4.717 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.695 -2.054 4.073 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.065 -0.466 4.954 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.708 -0.529 6.526 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.734 -2.836 3.947 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.053 -2.074 8.084 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.078 -4.807 4.530 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.392 -4.050 8.669 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.409 -5.418 6.893 1.00 0.00 H new ATOM 807 N LYS A 58 -3.576 -1.487 6.679 1.00 0.00 N ATOM 808 CA LYS A 58 -4.465 -2.119 7.656 1.00 0.00 C ATOM 809 C LYS A 58 -5.542 -2.970 6.988 1.00 0.00 C ATOM 810 O LYS A 58 -5.765 -4.113 7.385 1.00 0.00 O ATOM 811 CB LYS A 58 -5.108 -1.060 8.550 1.00 0.00 C ATOM 812 CG LYS A 58 -4.104 -0.079 9.129 1.00 0.00 C ATOM 813 CD LYS A 58 -3.679 -0.485 10.528 1.00 0.00 C ATOM 814 CE LYS A 58 -4.399 0.334 11.590 1.00 0.00 C ATOM 815 NZ LYS A 58 -3.580 0.486 12.826 1.00 0.00 N ATOM 0 H LYS A 58 -3.644 -0.470 6.644 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.855 -2.785 8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.853 -0.511 7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.636 -1.554 9.366 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.229 -0.027 8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.541 0.919 9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.888 -1.544 10.680 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.602 -0.354 10.634 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.637 1.319 11.189 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.345 -0.146 11.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.106 1.050 13.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.374 -0.453 13.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.688 0.967 12.594 1.00 0.00 H new ATOM 829 N LYS A 59 -6.207 -2.413 5.980 1.00 0.00 N ATOM 830 CA LYS A 59 -7.262 -3.141 5.270 1.00 0.00 C ATOM 831 C LYS A 59 -6.702 -4.379 4.565 1.00 0.00 C ATOM 832 O LYS A 59 -7.356 -5.422 4.522 1.00 0.00 O ATOM 833 CB LYS A 59 -7.993 -2.231 4.267 1.00 0.00 C ATOM 834 CG LYS A 59 -7.243 -1.989 2.962 1.00 0.00 C ATOM 835 CD LYS A 59 -7.685 -2.951 1.868 1.00 0.00 C ATOM 836 CE LYS A 59 -8.717 -2.320 0.945 1.00 0.00 C ATOM 837 NZ LYS A 59 -10.061 -2.238 1.586 1.00 0.00 N ATOM 0 H LYS A 59 -6.038 -1.468 5.636 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.986 -3.472 6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.963 -2.673 4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.186 -1.270 4.743 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.409 -0.963 2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.172 -2.100 3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.818 -3.262 1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.104 -3.850 2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.388 -1.320 0.663 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.788 -2.903 0.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.739 -1.818 0.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.379 -3.193 1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.003 -1.646 2.439 1.00 0.00 H new ATOM 851 N ILE A 60 -5.487 -4.264 4.026 1.00 0.00 N ATOM 852 CA ILE A 60 -4.849 -5.386 3.340 1.00 0.00 C ATOM 853 C ILE A 60 -4.461 -6.473 4.342 1.00 0.00 C ATOM 854 O ILE A 60 -4.716 -7.655 4.113 1.00 0.00 O ATOM 855 CB ILE A 60 -3.595 -4.944 2.552 1.00 0.00 C ATOM 856 CG1 ILE A 60 -3.936 -3.776 1.619 1.00 0.00 C ATOM 857 CG2 ILE A 60 -3.022 -6.111 1.756 1.00 0.00 C ATOM 858 CD1 ILE A 60 -2.723 -3.015 1.131 1.00 0.00 C ATOM 0 H ILE A 60 -4.929 -3.411 4.051 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.575 -5.781 2.630 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.840 -4.611 3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.485 -4.158 0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.601 -3.087 2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.140 -5.780 1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.745 -6.915 2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.771 -6.474 1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.042 -2.204 0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.185 -2.602 1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.068 -3.690 0.580 1.00 0.00 H new ATOM 870 N LYS A 61 -3.852 -6.059 5.457 1.00 0.00 N ATOM 871 CA LYS A 61 -3.437 -6.994 6.502 1.00 0.00 C ATOM 872 C LYS A 61 -4.648 -7.679 7.141 1.00 0.00 C ATOM 873 O LYS A 61 -4.587 -8.858 7.491 1.00 0.00 O ATOM 874 CB LYS A 61 -2.619 -6.271 7.575 1.00 0.00 C ATOM 875 CG LYS A 61 -1.116 -6.366 7.363 1.00 0.00 C ATOM 876 CD LYS A 61 -0.452 -7.218 8.436 1.00 0.00 C ATOM 877 CE LYS A 61 0.834 -7.855 7.931 1.00 0.00 C ATOM 878 NZ LYS A 61 0.571 -9.021 7.039 1.00 0.00 N ATOM 0 H LYS A 61 -3.636 -5.082 5.657 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.815 -7.759 6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.909 -5.220 7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.867 -6.688 8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.913 -6.793 6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.683 -5.366 7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.235 -6.601 9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.141 -7.997 8.761 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.419 -7.111 7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.436 -8.178 8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.332 -9.098 6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.536 -9.892 7.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.339 -8.888 6.553 1.00 0.00 H new ATOM 892 N GLU A 62 -5.746 -6.936 7.285 1.00 0.00 N ATOM 893 CA GLU A 62 -6.965 -7.480 7.878 1.00 0.00 C ATOM 894 C GLU A 62 -7.630 -8.482 6.933 1.00 0.00 C ATOM 895 O GLU A 62 -8.063 -9.553 7.361 1.00 0.00 O ATOM 896 CB GLU A 62 -7.945 -6.354 8.228 1.00 0.00 C ATOM 897 CG GLU A 62 -8.923 -6.723 9.334 1.00 0.00 C ATOM 898 CD GLU A 62 -8.440 -6.308 10.712 1.00 0.00 C ATOM 899 OE1 GLU A 62 -7.319 -6.706 11.095 1.00 0.00 O ATOM 900 OE2 GLU A 62 -9.183 -5.586 11.409 1.00 0.00 O ATOM 0 H GLU A 62 -5.815 -5.959 7.000 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.689 -8.001 8.795 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.380 -5.473 8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.506 -6.080 7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.885 -6.251 9.134 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.088 -7.800 9.322 1.00 0.00 H new ATOM 907 N ARG A 63 -7.709 -8.129 5.648 1.00 0.00 N ATOM 908 CA ARG A 63 -8.322 -9.004 4.648 1.00 0.00 C ATOM 909 C ARG A 63 -7.509 -10.288 4.467 1.00 0.00 C ATOM 910 O ARG A 63 -8.070 -11.384 4.445 1.00 0.00 O ATOM 911 CB ARG A 63 -8.466 -8.274 3.308 1.00 0.00 C ATOM 912 CG ARG A 63 -9.892 -7.833 3.003 1.00 0.00 C ATOM 913 CD ARG A 63 -9.994 -6.320 2.857 1.00 0.00 C ATOM 914 NE ARG A 63 -11.373 -5.847 2.997 1.00 0.00 N ATOM 915 CZ ARG A 63 -12.291 -5.911 2.026 1.00 0.00 C ATOM 916 NH1 ARG A 63 -11.988 -6.433 0.839 1.00 0.00 N ATOM 917 NH2 ARG A 63 -13.519 -5.452 2.247 1.00 0.00 N ATOM 0 H ARG A 63 -7.357 -7.246 5.277 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.315 -9.277 5.006 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.816 -7.399 3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.118 -8.928 2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.232 -8.311 2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.555 -8.167 3.801 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.368 -5.840 3.609 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.606 -6.023 1.883 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.651 -5.443 3.891 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.048 -6.789 0.663 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.696 -6.477 0.106 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.759 -5.053 3.155 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.222 -5.499 1.509 1.00 0.00 H new ATOM 931 N ILE A 64 -6.187 -10.145 4.340 1.00 0.00 N ATOM 932 CA ILE A 64 -5.304 -11.299 4.162 1.00 0.00 C ATOM 933 C ILE A 64 -5.373 -12.249 5.363 1.00 0.00 C ATOM 934 O ILE A 64 -5.125 -13.447 5.222 1.00 0.00 O ATOM 935 CB ILE A 64 -3.835 -10.872 3.921 1.00 0.00 C ATOM 936 CG1 ILE A 64 -2.975 -12.084 3.553 1.00 0.00 C ATOM 937 CG2 ILE A 64 -3.262 -10.162 5.141 1.00 0.00 C ATOM 938 CD1 ILE A 64 -1.530 -11.742 3.259 1.00 0.00 C ATOM 0 H ILE A 64 -5.707 -9.245 4.357 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.659 -11.824 3.276 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.823 -10.171 3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.009 -12.804 4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.408 -12.573 2.680 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.230 -9.874 4.943 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.853 -9.271 5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.293 -10.832 6.000 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.985 -12.652 3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.484 -11.047 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.079 -11.281 4.138 1.00 0.00 H new ATOM 950 N ARG A 65 -5.722 -11.713 6.537 1.00 0.00 N ATOM 951 CA ARG A 65 -5.834 -12.524 7.752 1.00 0.00 C ATOM 952 C ARG A 65 -6.812 -13.686 7.546 1.00 0.00 C ATOM 953 O ARG A 65 -6.638 -14.762 8.121 1.00 0.00 O ATOM 954 CB ARG A 65 -6.288 -11.652 8.930 1.00 0.00 C ATOM 955 CG ARG A 65 -6.088 -12.295 10.296 1.00 0.00 C ATOM 956 CD ARG A 65 -4.627 -12.637 10.551 1.00 0.00 C ATOM 957 NE ARG A 65 -4.301 -12.638 11.978 1.00 0.00 N ATOM 958 CZ ARG A 65 -3.218 -13.221 12.500 1.00 0.00 C ATOM 959 NH1 ARG A 65 -2.346 -13.855 11.719 1.00 0.00 N ATOM 960 NH2 ARG A 65 -3.005 -13.170 13.812 1.00 0.00 N ATOM 0 H ARG A 65 -5.931 -10.724 6.671 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.852 -12.941 7.976 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.742 -10.709 8.901 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.344 -11.413 8.805 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.444 -11.617 11.072 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -6.690 -13.201 10.363 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.406 -13.617 10.129 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.992 -11.917 10.035 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.941 -12.163 12.614 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.501 -13.899 10.712 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.522 -14.297 12.128 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.668 -12.686 14.418 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.179 -13.615 14.212 1.00 0.00 H new ATOM 974 N ASN A 66 -7.835 -13.462 6.715 1.00 0.00 N ATOM 975 CA ASN A 66 -8.839 -14.487 6.421 1.00 0.00 C ATOM 976 C ASN A 66 -8.522 -15.228 5.111 1.00 0.00 C ATOM 977 O ASN A 66 -9.373 -15.946 4.581 1.00 0.00 O ATOM 978 CB ASN A 66 -10.236 -13.854 6.333 1.00 0.00 C ATOM 979 CG ASN A 66 -10.609 -13.057 7.576 1.00 0.00 C ATOM 980 OD1 ASN A 66 -9.935 -13.130 8.603 1.00 0.00 O ATOM 981 ND2 ASN A 66 -11.693 -12.290 7.490 1.00 0.00 N ATOM 0 H ASN A 66 -7.989 -12.576 6.233 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.819 -15.211 7.235 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -10.278 -13.199 5.463 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.975 -14.640 6.177 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.991 -11.736 8.293 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.226 -12.256 6.621 1.00 0.00 H new ATOM 988 N HIS A 67 -7.300 -15.045 4.591 1.00 0.00 N ATOM 989 CA HIS A 67 -6.873 -15.685 3.345 1.00 0.00 C ATOM 990 C HIS A 67 -7.607 -15.086 2.142 1.00 0.00 C ATOM 991 O HIS A 67 -8.153 -15.810 1.307 1.00 0.00 O ATOM 992 CB HIS A 67 -7.096 -17.203 3.408 1.00 0.00 C ATOM 993 CG HIS A 67 -5.967 -18.002 2.830 1.00 0.00 C ATOM 994 ND1 HIS A 67 -5.124 -18.778 3.598 1.00 0.00 N ATOM 995 CD2 HIS A 67 -5.544 -18.146 1.550 1.00 0.00 C ATOM 996 CE1 HIS A 67 -4.233 -19.364 2.819 1.00 0.00 C ATOM 997 NE2 HIS A 67 -4.465 -18.997 1.571 1.00 0.00 N ATOM 0 H HIS A 67 -6.588 -14.454 5.020 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.806 -15.498 3.221 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.243 -17.497 4.447 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.014 -17.449 2.874 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.975 -17.679 0.677 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.448 -20.030 3.146 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.930 -19.297 0.756 1.00 0.00 H new ATOM 1006 N LYS A 68 -7.608 -13.753 2.056 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.270 -13.059 0.953 1.00 0.00 C ATOM 1008 C LYS A 68 -7.395 -13.058 -0.300 1.00 0.00 C ATOM 1009 O LYS A 68 -7.874 -13.341 -1.399 1.00 0.00 O ATOM 1010 CB LYS A 68 -8.616 -11.618 1.347 1.00 0.00 C ATOM 1011 CG LYS A 68 -10.090 -11.408 1.658 1.00 0.00 C ATOM 1012 CD LYS A 68 -10.936 -11.395 0.391 1.00 0.00 C ATOM 1013 CE LYS A 68 -12.035 -10.344 0.460 1.00 0.00 C ATOM 1014 NZ LYS A 68 -13.376 -10.945 0.715 1.00 0.00 N ATOM 0 H LYS A 68 -7.160 -13.137 2.734 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.192 -13.596 0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.026 -11.337 2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.325 -10.949 0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.439 -12.200 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.219 -10.466 2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.298 -11.199 -0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.381 -12.378 0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.803 -9.630 1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.061 -9.786 -0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.092 -10.192 0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.611 -11.607 -0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.361 -11.455 1.621 1.00 0.00 H new ATOM 1028 N TYR A 69 -6.112 -12.736 -0.128 1.00 0.00 N ATOM 1029 CA TYR A 69 -5.170 -12.696 -1.245 1.00 0.00 C ATOM 1030 C TYR A 69 -4.432 -14.024 -1.390 1.00 0.00 C ATOM 1031 O TYR A 69 -3.797 -14.499 -0.445 1.00 0.00 O ATOM 1032 CB TYR A 69 -4.163 -11.559 -1.052 1.00 0.00 C ATOM 1033 CG TYR A 69 -4.733 -10.181 -1.319 1.00 0.00 C ATOM 1034 CD1 TYR A 69 -5.196 -9.830 -2.584 1.00 0.00 C ATOM 1035 CD2 TYR A 69 -4.804 -9.228 -0.308 1.00 0.00 C ATOM 1036 CE1 TYR A 69 -5.711 -8.573 -2.831 1.00 0.00 C ATOM 1037 CE2 TYR A 69 -5.318 -7.968 -0.550 1.00 0.00 C ATOM 1038 CZ TYR A 69 -5.769 -7.645 -1.811 1.00 0.00 C ATOM 1039 OH TYR A 69 -6.282 -6.391 -2.051 1.00 0.00 O ATOM 0 H TYR A 69 -5.702 -12.499 0.775 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.740 -12.518 -2.157 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -3.784 -11.593 -0.031 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -3.313 -11.724 -1.714 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.152 -10.553 -3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.452 -9.477 0.682 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.067 -8.317 -3.818 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.366 -7.240 0.246 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.979 -6.076 -2.928 1.00 0.00 H new ATOM 1049 N ARG A 70 -4.517 -14.616 -2.580 1.00 0.00 N ATOM 1050 CA ARG A 70 -3.855 -15.888 -2.855 1.00 0.00 C ATOM 1051 C ARG A 70 -3.051 -15.825 -4.161 1.00 0.00 C ATOM 1052 O ARG A 70 -2.850 -16.846 -4.824 1.00 0.00 O ATOM 1053 CB ARG A 70 -4.891 -17.017 -2.924 1.00 0.00 C ATOM 1054 CG ARG A 70 -4.422 -18.314 -2.287 1.00 0.00 C ATOM 1055 CD ARG A 70 -5.389 -19.454 -2.561 1.00 0.00 C ATOM 1056 NE ARG A 70 -5.215 -20.560 -1.619 1.00 0.00 N ATOM 1057 CZ ARG A 70 -4.189 -21.419 -1.654 1.00 0.00 C ATOM 1058 NH1 ARG A 70 -3.247 -21.310 -2.590 1.00 0.00 N ATOM 1059 NH2 ARG A 70 -4.109 -22.392 -0.752 1.00 0.00 N ATOM 0 H ARG A 70 -5.038 -14.234 -3.369 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.159 -16.091 -2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.806 -16.690 -2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.142 -17.205 -3.968 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.435 -18.573 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.318 -18.175 -1.211 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.412 -19.084 -2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.242 -19.818 -3.578 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.919 -20.684 -0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.304 -20.568 -3.287 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.469 -21.969 -2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.829 -22.483 -0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.328 -23.048 -0.777 1.00 0.00 H new ATOM 1073 N SER A 71 -2.589 -14.623 -4.519 1.00 0.00 N ATOM 1074 CA SER A 71 -1.806 -14.428 -5.737 1.00 0.00 C ATOM 1075 C SER A 71 -1.092 -13.079 -5.713 1.00 0.00 C ATOM 1076 O SER A 71 -1.722 -12.040 -5.500 1.00 0.00 O ATOM 1077 CB SER A 71 -2.707 -14.519 -6.976 1.00 0.00 C ATOM 1078 OG SER A 71 -2.438 -15.701 -7.713 1.00 0.00 O ATOM 0 H SER A 71 -2.745 -13.771 -3.980 1.00 0.00 H new ATOM 0 HA SER A 71 -1.057 -15.218 -5.785 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.753 -14.506 -6.671 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.549 -13.647 -7.610 1.00 0.00 H new ATOM 0 HG SER A 71 -2.478 -16.476 -7.115 1.00 0.00 H new ATOM 1084 N LEU A 72 0.223 -13.101 -5.934 1.00 0.00 N ATOM 1085 CA LEU A 72 1.023 -11.876 -5.941 1.00 0.00 C ATOM 1086 C LEU A 72 0.578 -10.926 -7.056 1.00 0.00 C ATOM 1087 O LEU A 72 0.720 -9.709 -6.929 1.00 0.00 O ATOM 1088 CB LEU A 72 2.514 -12.199 -6.093 1.00 0.00 C ATOM 1089 CG LEU A 72 3.443 -11.459 -5.124 1.00 0.00 C ATOM 1090 CD1 LEU A 72 3.329 -12.036 -3.720 1.00 0.00 C ATOM 1091 CD2 LEU A 72 4.885 -11.518 -5.609 1.00 0.00 C ATOM 0 H LEU A 72 0.756 -13.953 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 72 0.866 -11.379 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.653 -13.272 -5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.818 -11.965 -7.113 1.00 0.00 H new ATOM 0 HG LEU A 72 3.134 -10.414 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.997 -11.496 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.302 -11.936 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.606 -13.090 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.527 -10.987 -4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.204 -12.558 -5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.958 -11.051 -6.591 1.00 0.00 H new ATOM 1103 N ASN A 73 0.035 -11.485 -8.143 1.00 0.00 N ATOM 1104 CA ASN A 73 -0.436 -10.677 -9.271 1.00 0.00 C ATOM 1105 C ASN A 73 -1.495 -9.673 -8.816 1.00 0.00 C ATOM 1106 O ASN A 73 -1.457 -8.503 -9.199 1.00 0.00 O ATOM 1107 CB ASN A 73 -1.016 -11.574 -10.370 1.00 0.00 C ATOM 1108 CG ASN A 73 0.057 -12.155 -11.272 1.00 0.00 C ATOM 1109 OD1 ASN A 73 0.648 -11.447 -12.086 1.00 0.00 O ATOM 1110 ND2 ASN A 73 0.314 -13.451 -11.132 1.00 0.00 N ATOM 0 H ASN A 73 -0.089 -12.490 -8.265 1.00 0.00 H new ATOM 0 HA ASN A 73 0.418 -10.130 -9.670 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.580 -12.386 -9.912 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.719 -10.998 -10.972 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.025 -13.895 -11.712 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.200 -14.001 -10.444 1.00 0.00 H new ATOM 1117 N ASP A 74 -2.433 -10.141 -7.993 1.00 0.00 N ATOM 1118 CA ASP A 74 -3.502 -9.288 -7.478 1.00 0.00 C ATOM 1119 C ASP A 74 -2.937 -8.228 -6.533 1.00 0.00 C ATOM 1120 O ASP A 74 -3.303 -7.054 -6.612 1.00 0.00 O ATOM 1121 CB ASP A 74 -4.554 -10.134 -6.751 1.00 0.00 C ATOM 1122 CG ASP A 74 -5.351 -11.022 -7.692 1.00 0.00 C ATOM 1123 OD1 ASP A 74 -4.737 -11.875 -8.370 1.00 0.00 O ATOM 1124 OD2 ASP A 74 -6.589 -10.870 -7.744 1.00 0.00 O ATOM 0 H ASP A 74 -2.474 -11.107 -7.669 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.975 -8.785 -8.321 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.060 -10.755 -6.004 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -5.237 -9.474 -6.216 1.00 0.00 H new ATOM 1129 N LEU A 75 -2.037 -8.652 -5.645 1.00 0.00 N ATOM 1130 CA LEU A 75 -1.409 -7.743 -4.688 1.00 0.00 C ATOM 1131 C LEU A 75 -0.568 -6.685 -5.404 1.00 0.00 C ATOM 1132 O LEU A 75 -0.572 -5.515 -5.019 1.00 0.00 O ATOM 1133 CB LEU A 75 -0.538 -8.530 -3.703 1.00 0.00 C ATOM 1134 CG LEU A 75 -0.848 -8.282 -2.225 1.00 0.00 C ATOM 1135 CD1 LEU A 75 -1.068 -9.599 -1.494 1.00 0.00 C ATOM 1136 CD2 LEU A 75 0.273 -7.485 -1.573 1.00 0.00 C ATOM 0 H LEU A 75 -1.727 -9.621 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.200 -7.234 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.653 -9.594 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.507 -8.281 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.767 -7.700 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.287 -9.401 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.906 -10.130 -1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.169 -10.211 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.037 -7.317 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.207 -8.041 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.379 -6.525 -2.079 1.00 0.00 H new ATOM 1148 N GLU A 76 0.147 -7.108 -6.450 1.00 0.00 N ATOM 1149 CA GLU A 76 0.990 -6.200 -7.229 1.00 0.00 C ATOM 1150 C GLU A 76 0.156 -5.097 -7.879 1.00 0.00 C ATOM 1151 O GLU A 76 0.555 -3.932 -7.887 1.00 0.00 O ATOM 1152 CB GLU A 76 1.758 -6.977 -8.303 1.00 0.00 C ATOM 1153 CG GLU A 76 2.862 -6.166 -8.968 1.00 0.00 C ATOM 1154 CD GLU A 76 3.108 -6.565 -10.413 1.00 0.00 C ATOM 1155 OE1 GLU A 76 2.125 -6.753 -11.160 1.00 0.00 O ATOM 1156 OE2 GLU A 76 4.290 -6.688 -10.799 1.00 0.00 O ATOM 0 H GLU A 76 0.158 -8.074 -6.776 1.00 0.00 H new ATOM 0 HA GLU A 76 1.702 -5.735 -6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.194 -7.869 -7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.057 -7.316 -9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.601 -5.108 -8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.785 -6.288 -8.402 1.00 0.00 H new ATOM 1163 N LYS A 77 -1.005 -5.468 -8.418 1.00 0.00 N ATOM 1164 CA LYS A 77 -1.893 -4.500 -9.063 1.00 0.00 C ATOM 1165 C LYS A 77 -2.408 -3.470 -8.052 1.00 0.00 C ATOM 1166 O LYS A 77 -2.568 -2.295 -8.384 1.00 0.00 O ATOM 1167 CB LYS A 77 -3.071 -5.215 -9.734 1.00 0.00 C ATOM 1168 CG LYS A 77 -3.431 -4.650 -11.102 1.00 0.00 C ATOM 1169 CD LYS A 77 -4.840 -4.075 -11.120 1.00 0.00 C ATOM 1170 CE LYS A 77 -5.847 -5.069 -11.681 1.00 0.00 C ATOM 1171 NZ LYS A 77 -5.756 -5.183 -13.165 1.00 0.00 N ATOM 0 H LYS A 77 -1.352 -6.427 -8.421 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.319 -3.975 -9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.830 -6.273 -9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.943 -5.150 -9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.717 -3.873 -11.374 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.349 -5.435 -11.853 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.131 -3.794 -10.108 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.854 -3.165 -11.720 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.678 -6.048 -11.232 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.854 -4.760 -11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.503 -5.818 -13.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.875 -4.243 -13.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.826 -5.568 -13.427 1.00 0.00 H new ATOM 1185 N ASP A 78 -2.662 -3.919 -6.817 1.00 0.00 N ATOM 1186 CA ASP A 78 -3.158 -3.034 -5.762 1.00 0.00 C ATOM 1187 C ASP A 78 -2.090 -2.029 -5.328 1.00 0.00 C ATOM 1188 O ASP A 78 -2.362 -0.832 -5.227 1.00 0.00 O ATOM 1189 CB ASP A 78 -3.619 -3.850 -4.550 1.00 0.00 C ATOM 1190 CG ASP A 78 -5.113 -4.112 -4.557 1.00 0.00 C ATOM 1191 OD1 ASP A 78 -5.887 -3.143 -4.416 1.00 0.00 O ATOM 1192 OD2 ASP A 78 -5.508 -5.288 -4.700 1.00 0.00 O ATOM 0 H ASP A 78 -2.532 -4.888 -6.526 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.005 -2.482 -6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.087 -4.801 -4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.351 -3.319 -3.636 1.00 0.00 H new ATOM 1197 N VAL A 79 -0.877 -2.520 -5.071 1.00 0.00 N ATOM 1198 CA VAL A 79 0.225 -1.657 -4.647 1.00 0.00 C ATOM 1199 C VAL A 79 0.589 -0.647 -5.738 1.00 0.00 C ATOM 1200 O VAL A 79 0.858 0.520 -5.445 1.00 0.00 O ATOM 1201 CB VAL A 79 1.478 -2.469 -4.238 1.00 0.00 C ATOM 1202 CG1 VAL A 79 1.993 -3.318 -5.391 1.00 0.00 C ATOM 1203 CG2 VAL A 79 2.572 -1.546 -3.718 1.00 0.00 C ATOM 0 H VAL A 79 -0.634 -3.507 -5.149 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.125 -1.116 -3.768 1.00 0.00 H new ATOM 0 HB VAL A 79 1.186 -3.145 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.873 -3.874 -5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.217 -4.016 -5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.259 -2.672 -6.228 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.443 -2.137 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.851 -0.837 -4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.206 -1.002 -2.847 1.00 0.00 H new ATOM 1213 N MET A 80 0.585 -1.096 -6.996 1.00 0.00 N ATOM 1214 CA MET A 80 0.906 -0.220 -8.122 1.00 0.00 C ATOM 1215 C MET A 80 -0.172 0.849 -8.297 1.00 0.00 C ATOM 1216 O MET A 80 0.138 2.031 -8.457 1.00 0.00 O ATOM 1217 CB MET A 80 1.059 -1.031 -9.415 1.00 0.00 C ATOM 1218 CG MET A 80 2.494 -1.124 -9.911 1.00 0.00 C ATOM 1219 SD MET A 80 2.991 -2.814 -10.299 1.00 0.00 S ATOM 1220 CE MET A 80 4.186 -3.122 -8.999 1.00 0.00 C ATOM 0 H MET A 80 0.364 -2.057 -7.258 1.00 0.00 H new ATOM 0 HA MET A 80 1.854 0.272 -7.907 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.675 -2.038 -9.250 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.444 -0.578 -10.193 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.607 -0.504 -10.800 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.163 -0.719 -9.152 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.750 -4.026 -9.230 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.870 -2.276 -8.926 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.666 -3.251 -8.050 1.00 0.00 H new ATOM 1230 N LEU A 81 -1.439 0.429 -8.251 1.00 0.00 N ATOM 1231 CA LEU A 81 -2.563 1.355 -8.393 1.00 0.00 C ATOM 1232 C LEU A 81 -2.550 2.398 -7.276 1.00 0.00 C ATOM 1233 O LEU A 81 -2.846 3.571 -7.509 1.00 0.00 O ATOM 1234 CB LEU A 81 -3.893 0.596 -8.381 1.00 0.00 C ATOM 1235 CG LEU A 81 -4.475 0.277 -9.763 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -5.367 -0.954 -9.697 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -5.248 1.472 -10.305 1.00 0.00 C ATOM 0 H LEU A 81 -1.711 -0.545 -8.117 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.458 1.866 -9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.754 -0.339 -7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.623 1.183 -7.824 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.650 0.065 -10.443 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.771 -1.164 -10.687 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.783 -1.808 -9.354 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.187 -0.772 -9.002 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.654 1.228 -11.287 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.064 1.716 -9.625 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.580 2.329 -10.392 1.00 0.00 H new ATOM 1249 N LEU A 82 -2.201 1.963 -6.062 1.00 0.00 N ATOM 1250 CA LEU A 82 -2.144 2.860 -4.911 1.00 0.00 C ATOM 1251 C LEU A 82 -1.139 3.989 -5.143 1.00 0.00 C ATOM 1252 O LEU A 82 -1.403 5.141 -4.801 1.00 0.00 O ATOM 1253 CB LEU A 82 -1.774 2.085 -3.642 1.00 0.00 C ATOM 1254 CG LEU A 82 -2.961 1.636 -2.786 1.00 0.00 C ATOM 1255 CD1 LEU A 82 -2.484 0.807 -1.601 1.00 0.00 C ATOM 1256 CD2 LEU A 82 -3.759 2.844 -2.315 1.00 0.00 C ATOM 0 H LEU A 82 -1.954 0.995 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.133 3.299 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.198 1.205 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.121 2.709 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.613 1.010 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.342 0.497 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.956 -0.075 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.812 1.405 -0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.600 2.510 -1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.118 3.495 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.132 3.394 -3.179 1.00 0.00 H new ATOM 1268 N CYS A 83 0.009 3.651 -5.734 1.00 0.00 N ATOM 1269 CA CYS A 83 1.047 4.642 -6.019 1.00 0.00 C ATOM 1270 C CYS A 83 0.522 5.713 -6.977 1.00 0.00 C ATOM 1271 O CYS A 83 0.777 6.904 -6.786 1.00 0.00 O ATOM 1272 CB CYS A 83 2.283 3.966 -6.618 1.00 0.00 C ATOM 1273 SG CYS A 83 3.313 3.100 -5.407 1.00 0.00 S ATOM 0 H CYS A 83 0.242 2.701 -6.024 1.00 0.00 H new ATOM 0 HA CYS A 83 1.327 5.120 -5.080 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.962 3.256 -7.380 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.889 4.720 -7.121 1.00 0.00 H new ATOM 0 HG CYS A 83 4.330 2.560 -6.010 1.00 0.00 H new ATOM 1279 N GLN A 84 -0.220 5.280 -7.996 1.00 0.00 N ATOM 1280 CA GLN A 84 -0.794 6.201 -8.978 1.00 0.00 C ATOM 1281 C GLN A 84 -1.846 7.103 -8.333 1.00 0.00 C ATOM 1282 O GLN A 84 -1.961 8.280 -8.682 1.00 0.00 O ATOM 1283 CB GLN A 84 -1.417 5.424 -10.139 1.00 0.00 C ATOM 1284 CG GLN A 84 -0.599 5.483 -11.418 1.00 0.00 C ATOM 1285 CD GLN A 84 -0.814 4.271 -12.306 1.00 0.00 C ATOM 1286 OE1 GLN A 84 -1.878 3.650 -12.287 1.00 0.00 O ATOM 1287 NE2 GLN A 84 0.199 3.926 -13.093 1.00 0.00 N ATOM 0 H GLN A 84 -0.438 4.298 -8.163 1.00 0.00 H new ATOM 0 HA GLN A 84 0.012 6.828 -9.360 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.540 4.382 -9.844 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.414 5.819 -10.336 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.861 6.385 -11.971 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.458 5.560 -11.165 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.063 4.467 -13.078 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.112 3.120 -13.712 1.00 0.00 H new ATOM 1296 N ASN A 85 -2.610 6.548 -7.389 1.00 0.00 N ATOM 1297 CA ASN A 85 -3.646 7.309 -6.695 1.00 0.00 C ATOM 1298 C ASN A 85 -3.033 8.485 -5.939 1.00 0.00 C ATOM 1299 O ASN A 85 -3.555 9.599 -5.981 1.00 0.00 O ATOM 1300 CB ASN A 85 -4.420 6.412 -5.723 1.00 0.00 C ATOM 1301 CG ASN A 85 -5.717 5.885 -6.315 1.00 0.00 C ATOM 1302 OD1 ASN A 85 -6.194 6.375 -7.338 1.00 0.00 O ATOM 1303 ND2 ASN A 85 -6.300 4.880 -5.668 1.00 0.00 N ATOM 0 H ASN A 85 -2.529 5.576 -7.090 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.339 7.693 -7.444 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -3.791 5.571 -5.432 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -4.642 6.973 -4.815 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -7.175 4.488 -6.017 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.873 4.501 -4.823 1.00 0.00 H new ATOM 1310 N ALA A 86 -1.916 8.227 -5.258 1.00 0.00 N ATOM 1311 CA ALA A 86 -1.220 9.263 -4.500 1.00 0.00 C ATOM 1312 C ALA A 86 -0.739 10.380 -5.420 1.00 0.00 C ATOM 1313 O ALA A 86 -0.858 11.558 -5.088 1.00 0.00 O ATOM 1314 CB ALA A 86 -0.043 8.670 -3.743 1.00 0.00 C ATOM 0 H ALA A 86 -1.475 7.308 -5.217 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.924 9.685 -3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.464 9.457 -3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.402 7.907 -3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.655 8.220 -4.449 1.00 0.00 H new ATOM 1320 N GLN A 87 -0.201 9.998 -6.580 1.00 0.00 N ATOM 1321 CA GLN A 87 0.298 10.967 -7.555 1.00 0.00 C ATOM 1322 C GLN A 87 -0.820 11.891 -8.041 1.00 0.00 C ATOM 1323 O GLN A 87 -0.574 13.055 -8.353 1.00 0.00 O ATOM 1324 CB GLN A 87 0.930 10.245 -8.748 1.00 0.00 C ATOM 1325 CG GLN A 87 2.266 9.592 -8.428 1.00 0.00 C ATOM 1326 CD GLN A 87 2.690 8.583 -9.480 1.00 0.00 C ATOM 1327 OE1 GLN A 87 1.909 8.216 -10.360 1.00 0.00 O ATOM 1328 NE2 GLN A 87 3.935 8.125 -9.397 1.00 0.00 N ATOM 0 H GLN A 87 -0.100 9.024 -6.866 1.00 0.00 H new ATOM 0 HA GLN A 87 1.055 11.576 -7.061 1.00 0.00 H new ATOM 0 HB2 GLN A 87 0.239 9.482 -9.108 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.069 10.958 -9.561 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.031 10.363 -8.340 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.201 9.096 -7.460 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.551 8.454 -8.653 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.275 7.445 -10.077 1.00 0.00 H new ATOM 1337 N THR A 88 -2.047 11.370 -8.098 1.00 0.00 N ATOM 1338 CA THR A 88 -3.195 12.160 -8.541 1.00 0.00 C ATOM 1339 C THR A 88 -3.412 13.369 -7.624 1.00 0.00 C ATOM 1340 O THR A 88 -3.661 14.478 -8.098 1.00 0.00 O ATOM 1341 CB THR A 88 -4.461 11.294 -8.583 1.00 0.00 C ATOM 1342 OG1 THR A 88 -4.279 10.179 -9.441 1.00 0.00 O ATOM 1343 CG2 THR A 88 -5.685 12.045 -9.063 1.00 0.00 C ATOM 0 H THR A 88 -2.270 10.408 -7.844 1.00 0.00 H new ATOM 0 HA THR A 88 -2.986 12.524 -9.547 1.00 0.00 H new ATOM 0 HB THR A 88 -4.628 10.978 -7.553 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.578 9.598 -9.078 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.544 11.374 -9.069 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.883 12.883 -8.395 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.510 12.419 -10.072 1.00 0.00 H new ATOM 1351 N PHE A 89 -3.311 13.146 -6.312 1.00 0.00 N ATOM 1352 CA PHE A 89 -3.490 14.216 -5.329 1.00 0.00 C ATOM 1353 C PHE A 89 -2.169 14.949 -5.061 1.00 0.00 C ATOM 1354 O PHE A 89 -2.163 16.156 -4.814 1.00 0.00 O ATOM 1355 CB PHE A 89 -4.049 13.643 -4.019 1.00 0.00 C ATOM 1356 CG PHE A 89 -4.322 14.678 -2.960 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -5.364 15.582 -3.104 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -3.536 14.744 -1.818 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -5.616 16.530 -2.131 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -3.785 15.691 -0.842 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.826 16.585 -0.998 1.00 0.00 C ATOM 0 H PHE A 89 -3.106 12.233 -5.906 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.200 14.935 -5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.974 13.108 -4.235 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.343 12.913 -3.624 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.985 15.544 -3.987 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.720 14.048 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.430 17.228 -2.256 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.166 15.732 0.042 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.022 17.325 -0.237 1.00 0.00 H new ATOM 1371 N ASN A 90 -1.058 14.210 -5.110 1.00 0.00 N ATOM 1372 CA ASN A 90 0.267 14.784 -4.870 1.00 0.00 C ATOM 1373 C ASN A 90 0.708 15.664 -6.039 1.00 0.00 C ATOM 1374 O ASN A 90 0.841 15.189 -7.168 1.00 0.00 O ATOM 1375 CB ASN A 90 1.299 13.673 -4.640 1.00 0.00 C ATOM 1376 CG ASN A 90 1.036 12.876 -3.373 1.00 0.00 C ATOM 1377 OD1 ASN A 90 0.327 13.330 -2.475 1.00 0.00 O ATOM 1378 ND2 ASN A 90 1.605 11.677 -3.296 1.00 0.00 N ATOM 0 H ASN A 90 -1.051 13.211 -5.314 1.00 0.00 H new ATOM 0 HA ASN A 90 0.202 15.404 -3.976 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.295 12.998 -5.496 1.00 0.00 H new ATOM 0 HB3 ASN A 90 2.294 14.114 -4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.461 11.096 -2.470 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.186 11.338 -4.063 1.00 0.00 H new ATOM 1385 N LEU A 91 0.937 16.946 -5.755 1.00 0.00 N ATOM 1386 CA LEU A 91 1.369 17.898 -6.775 1.00 0.00 C ATOM 1387 C LEU A 91 2.889 17.875 -6.935 1.00 0.00 C ATOM 1388 O LEU A 91 3.586 17.127 -6.246 1.00 0.00 O ATOM 1389 CB LEU A 91 0.902 19.313 -6.416 1.00 0.00 C ATOM 1390 CG LEU A 91 -0.605 19.554 -6.545 1.00 0.00 C ATOM 1391 CD1 LEU A 91 -0.946 20.997 -6.200 1.00 0.00 C ATOM 1392 CD2 LEU A 91 -1.083 19.213 -7.951 1.00 0.00 C ATOM 0 H LEU A 91 0.830 17.349 -4.824 1.00 0.00 H new ATOM 0 HA LEU A 91 0.918 17.604 -7.723 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.202 19.528 -5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.424 20.024 -7.056 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.119 18.901 -5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.021 21.150 -6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.641 21.208 -5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.421 21.668 -6.880 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.156 19.390 -8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.562 19.840 -8.675 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.874 18.164 -8.162 1.00 0.00 H new ATOM 1404 N GLU A 92 3.397 18.704 -7.846 1.00 0.00 N ATOM 1405 CA GLU A 92 4.831 18.782 -8.096 1.00 0.00 C ATOM 1406 C GLU A 92 5.513 19.675 -7.065 1.00 0.00 C ATOM 1407 O GLU A 92 5.078 20.801 -6.815 1.00 0.00 O ATOM 1408 CB GLU A 92 5.105 19.321 -9.504 1.00 0.00 C ATOM 1409 CG GLU A 92 4.545 18.446 -10.621 1.00 0.00 C ATOM 1410 CD GLU A 92 3.110 18.787 -10.993 1.00 0.00 C ATOM 1411 OE1 GLU A 92 2.697 19.952 -10.798 1.00 0.00 O ATOM 1412 OE2 GLU A 92 2.398 17.886 -11.484 1.00 0.00 O ATOM 0 H GLU A 92 2.835 19.330 -8.422 1.00 0.00 H new ATOM 0 HA GLU A 92 5.239 17.774 -8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.677 20.320 -9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.182 19.422 -9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.176 18.549 -11.504 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.595 17.401 -10.314 1.00 0.00 H new ATOM 1419 N GLY A 93 6.588 19.163 -6.475 1.00 0.00 N ATOM 1420 CA GLY A 93 7.327 19.919 -5.481 1.00 0.00 C ATOM 1421 C GLY A 93 6.730 19.797 -4.092 1.00 0.00 C ATOM 1422 O GLY A 93 6.351 20.800 -3.485 1.00 0.00 O ATOM 0 H GLY A 93 6.962 18.234 -6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.360 19.572 -5.460 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.350 20.969 -5.772 1.00 0.00 H new ATOM 1426 N SER A 94 6.647 18.567 -3.589 1.00 0.00 N ATOM 1427 CA SER A 94 6.092 18.315 -2.261 1.00 0.00 C ATOM 1428 C SER A 94 6.682 17.043 -1.657 1.00 0.00 C ATOM 1429 O SER A 94 6.982 16.087 -2.376 1.00 0.00 O ATOM 1430 CB SER A 94 4.564 18.203 -2.327 1.00 0.00 C ATOM 1431 OG SER A 94 4.146 17.396 -3.418 1.00 0.00 O ATOM 0 H SER A 94 6.957 17.729 -4.081 1.00 0.00 H new ATOM 0 HA SER A 94 6.356 19.158 -1.622 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.189 17.779 -1.395 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.129 19.198 -2.422 1.00 0.00 H new ATOM 0 HG SER A 94 4.157 17.928 -4.241 1.00 0.00 H new ATOM 1437 N LEU A 95 6.842 17.040 -0.332 1.00 0.00 N ATOM 1438 CA LEU A 95 7.393 15.883 0.378 1.00 0.00 C ATOM 1439 C LEU A 95 6.553 14.629 0.128 1.00 0.00 C ATOM 1440 O LEU A 95 7.098 13.538 -0.051 1.00 0.00 O ATOM 1441 CB LEU A 95 7.476 16.165 1.886 1.00 0.00 C ATOM 1442 CG LEU A 95 8.805 16.753 2.378 1.00 0.00 C ATOM 1443 CD1 LEU A 95 9.940 15.757 2.186 1.00 0.00 C ATOM 1444 CD2 LEU A 95 9.116 18.063 1.665 1.00 0.00 C ATOM 0 H LEU A 95 6.598 17.825 0.271 1.00 0.00 H new ATOM 0 HA LEU A 95 8.397 15.706 -0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.674 16.853 2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.290 15.234 2.422 1.00 0.00 H new ATOM 0 HG LEU A 95 8.708 16.960 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.873 16.195 2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.727 14.849 2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.034 15.512 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 95 10.063 18.460 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 95 9.187 17.885 0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.321 18.782 1.862 1.00 0.00 H new ATOM 1456 N ILE A 96 5.227 14.791 0.111 1.00 0.00 N ATOM 1457 CA ILE A 96 4.317 13.667 -0.120 1.00 0.00 C ATOM 1458 C ILE A 96 4.556 13.032 -1.493 1.00 0.00 C ATOM 1459 O ILE A 96 4.626 11.807 -1.610 1.00 0.00 O ATOM 1460 CB ILE A 96 2.830 14.084 -0.010 1.00 0.00 C ATOM 1461 CG1 ILE A 96 2.578 14.891 1.269 1.00 0.00 C ATOM 1462 CG2 ILE A 96 1.934 12.853 -0.037 1.00 0.00 C ATOM 1463 CD1 ILE A 96 1.197 15.510 1.334 1.00 0.00 C ATOM 0 H ILE A 96 4.761 15.687 0.254 1.00 0.00 H new ATOM 0 HA ILE A 96 4.531 12.938 0.662 1.00 0.00 H new ATOM 0 HB ILE A 96 2.592 14.716 -0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.716 14.240 2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 96 3.325 15.681 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.891 13.160 0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.084 12.314 -0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.184 12.202 0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.091 16.065 2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.062 16.187 0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.443 14.724 1.292 1.00 0.00 H new ATOM 1475 N TYR A 97 4.681 13.868 -2.529 1.00 0.00 N ATOM 1476 CA TYR A 97 4.917 13.373 -3.886 1.00 0.00 C ATOM 1477 C TYR A 97 6.226 12.586 -3.957 1.00 0.00 C ATOM 1478 O TYR A 97 6.289 11.533 -4.591 1.00 0.00 O ATOM 1479 CB TYR A 97 4.949 14.529 -4.892 1.00 0.00 C ATOM 1480 CG TYR A 97 5.155 14.088 -6.327 1.00 0.00 C ATOM 1481 CD1 TYR A 97 4.074 13.780 -7.145 1.00 0.00 C ATOM 1482 CD2 TYR A 97 6.433 13.979 -6.863 1.00 0.00 C ATOM 1483 CE1 TYR A 97 4.262 13.377 -8.453 1.00 0.00 C ATOM 1484 CE2 TYR A 97 6.629 13.577 -8.170 1.00 0.00 C ATOM 1485 CZ TYR A 97 5.539 13.276 -8.961 1.00 0.00 C ATOM 1486 OH TYR A 97 5.732 12.876 -10.264 1.00 0.00 O ATOM 0 H TYR A 97 4.623 14.884 -2.453 1.00 0.00 H new ATOM 0 HA TYR A 97 4.093 12.708 -4.144 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.013 15.084 -4.823 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.748 15.217 -4.615 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.071 13.857 -6.752 1.00 0.00 H new ATOM 0 HD2 TYR A 97 7.288 14.213 -6.246 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.411 13.142 -9.075 1.00 0.00 H new ATOM 0 HE2 TYR A 97 7.629 13.499 -8.570 1.00 0.00 H new ATOM 0 HH TYR A 97 6.692 12.859 -10.462 1.00 0.00 H new ATOM 1496 N GLU A 98 7.267 13.101 -3.297 1.00 0.00 N ATOM 1497 CA GLU A 98 8.569 12.436 -3.284 1.00 0.00 C ATOM 1498 C GLU A 98 8.459 11.046 -2.656 1.00 0.00 C ATOM 1499 O GLU A 98 9.075 10.091 -3.133 1.00 0.00 O ATOM 1500 CB GLU A 98 9.593 13.278 -2.517 1.00 0.00 C ATOM 1501 CG GLU A 98 11.035 12.859 -2.769 1.00 0.00 C ATOM 1502 CD GLU A 98 11.915 14.013 -3.215 1.00 0.00 C ATOM 1503 OE1 GLU A 98 11.922 15.058 -2.531 1.00 0.00 O ATOM 1504 OE2 GLU A 98 12.600 13.869 -4.250 1.00 0.00 O ATOM 0 H GLU A 98 7.232 13.972 -2.768 1.00 0.00 H new ATOM 0 HA GLU A 98 8.905 12.327 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.473 14.325 -2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.384 13.207 -1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.447 12.425 -1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.054 12.079 -3.530 1.00 0.00 H new ATOM 1511 N ASP A 99 7.663 10.941 -1.587 1.00 0.00 N ATOM 1512 CA ASP A 99 7.461 9.670 -0.891 1.00 0.00 C ATOM 1513 C ASP A 99 6.875 8.611 -1.827 1.00 0.00 C ATOM 1514 O ASP A 99 7.267 7.444 -1.774 1.00 0.00 O ATOM 1515 CB ASP A 99 6.533 9.858 0.316 1.00 0.00 C ATOM 1516 CG ASP A 99 7.104 10.795 1.369 1.00 0.00 C ATOM 1517 OD1 ASP A 99 8.341 10.810 1.551 1.00 0.00 O ATOM 1518 OD2 ASP A 99 6.309 11.511 2.013 1.00 0.00 O ATOM 0 H ASP A 99 7.148 11.724 -1.185 1.00 0.00 H new ATOM 0 HA ASP A 99 8.436 9.327 -0.546 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.575 10.248 -0.027 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.337 8.887 0.771 1.00 0.00 H new ATOM 1523 N SER A 100 5.934 9.020 -2.682 1.00 0.00 N ATOM 1524 CA SER A 100 5.301 8.098 -3.623 1.00 0.00 C ATOM 1525 C SER A 100 6.308 7.591 -4.657 1.00 0.00 C ATOM 1526 O SER A 100 6.325 6.401 -4.980 1.00 0.00 O ATOM 1527 CB SER A 100 4.102 8.762 -4.316 1.00 0.00 C ATOM 1528 OG SER A 100 4.513 9.599 -5.385 1.00 0.00 O ATOM 0 H SER A 100 5.596 9.981 -2.741 1.00 0.00 H new ATOM 0 HA SER A 100 4.937 7.241 -3.057 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.428 7.993 -4.694 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.540 9.349 -3.589 1.00 0.00 H new ATOM 0 HG SER A 100 5.131 10.281 -5.048 1.00 0.00 H new ATOM 1534 N ILE A 101 7.150 8.492 -5.169 1.00 0.00 N ATOM 1535 CA ILE A 101 8.159 8.117 -6.160 1.00 0.00 C ATOM 1536 C ILE A 101 9.154 7.112 -5.577 1.00 0.00 C ATOM 1537 O ILE A 101 9.518 6.138 -6.240 1.00 0.00 O ATOM 1538 CB ILE A 101 8.935 9.342 -6.699 1.00 0.00 C ATOM 1539 CG1 ILE A 101 7.967 10.416 -7.210 1.00 0.00 C ATOM 1540 CG2 ILE A 101 9.892 8.914 -7.807 1.00 0.00 C ATOM 1541 CD1 ILE A 101 7.038 9.932 -8.305 1.00 0.00 C ATOM 0 H ILE A 101 7.153 9.480 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 101 7.619 7.660 -6.989 1.00 0.00 H new ATOM 0 HB ILE A 101 9.516 9.770 -5.882 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.369 10.780 -6.374 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.543 11.263 -7.583 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.432 9.785 -8.178 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.602 8.187 -7.413 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.326 8.464 -8.623 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.384 10.747 -8.614 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.626 9.595 -9.159 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.434 9.105 -7.931 1.00 0.00 H new ATOM 1553 N VAL A 102 9.583 7.350 -4.337 1.00 0.00 N ATOM 1554 CA VAL A 102 10.530 6.458 -3.670 1.00 0.00 C ATOM 1555 C VAL A 102 9.952 5.049 -3.537 1.00 0.00 C ATOM 1556 O VAL A 102 10.630 4.064 -3.831 1.00 0.00 O ATOM 1557 CB VAL A 102 10.920 6.976 -2.267 1.00 0.00 C ATOM 1558 CG1 VAL A 102 11.991 6.088 -1.644 1.00 0.00 C ATOM 1559 CG2 VAL A 102 11.395 8.422 -2.333 1.00 0.00 C ATOM 0 H VAL A 102 9.291 8.150 -3.776 1.00 0.00 H new ATOM 0 HA VAL A 102 11.424 6.431 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 102 10.032 6.939 -1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.251 6.470 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.611 5.071 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 102 12.877 6.088 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.663 8.763 -1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.266 8.490 -2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.596 9.050 -2.728 1.00 0.00 H new ATOM 1569 N LEU A 103 8.695 4.963 -3.092 1.00 0.00 N ATOM 1570 CA LEU A 103 8.022 3.674 -2.919 1.00 0.00 C ATOM 1571 C LEU A 103 7.905 2.928 -4.250 1.00 0.00 C ATOM 1572 O LEU A 103 8.126 1.718 -4.309 1.00 0.00 O ATOM 1573 CB LEU A 103 6.633 3.871 -2.301 1.00 0.00 C ATOM 1574 CG LEU A 103 6.565 3.714 -0.776 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.803 2.266 -0.374 1.00 0.00 C ATOM 1576 CD2 LEU A 103 7.570 4.630 -0.090 1.00 0.00 C ATOM 0 H LEU A 103 8.124 5.771 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 103 8.627 3.071 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.275 4.866 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.947 3.155 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 103 5.565 4.002 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.751 2.176 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.041 1.632 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.788 1.950 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.502 4.500 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.577 4.380 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.351 5.667 -0.345 1.00 0.00 H new ATOM 1588 N GLN A 104 7.564 3.652 -5.319 1.00 0.00 N ATOM 1589 CA GLN A 104 7.430 3.049 -6.644 1.00 0.00 C ATOM 1590 C GLN A 104 8.772 2.511 -7.142 1.00 0.00 C ATOM 1591 O GLN A 104 8.845 1.410 -7.690 1.00 0.00 O ATOM 1592 CB GLN A 104 6.878 4.069 -7.647 1.00 0.00 C ATOM 1593 CG GLN A 104 5.813 3.501 -8.574 1.00 0.00 C ATOM 1594 CD GLN A 104 6.312 2.312 -9.375 1.00 0.00 C ATOM 1595 OE1 GLN A 104 6.874 2.472 -10.457 1.00 0.00 O ATOM 1596 NE2 GLN A 104 6.109 1.111 -8.846 1.00 0.00 N ATOM 0 H GLN A 104 7.376 4.654 -5.291 1.00 0.00 H new ATOM 0 HA GLN A 104 6.731 2.217 -6.560 1.00 0.00 H new ATOM 0 HB2 GLN A 104 6.458 4.913 -7.100 1.00 0.00 H new ATOM 0 HB3 GLN A 104 7.701 4.456 -8.248 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.947 3.200 -7.985 1.00 0.00 H new ATOM 0 HG3 GLN A 104 5.478 4.281 -9.258 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.638 1.023 -7.945 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.424 0.276 -9.340 1.00 0.00 H new ATOM 1605 N SER A 105 9.831 3.299 -6.952 1.00 0.00 N ATOM 1606 CA SER A 105 11.172 2.910 -7.386 1.00 0.00 C ATOM 1607 C SER A 105 11.694 1.716 -6.587 1.00 0.00 C ATOM 1608 O SER A 105 12.190 0.748 -7.165 1.00 0.00 O ATOM 1609 CB SER A 105 12.140 4.091 -7.249 1.00 0.00 C ATOM 1610 OG SER A 105 11.856 5.097 -8.205 1.00 0.00 O ATOM 0 H SER A 105 9.785 4.212 -6.500 1.00 0.00 H new ATOM 0 HA SER A 105 11.108 2.616 -8.434 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.069 4.509 -6.245 1.00 0.00 H new ATOM 0 HB3 SER A 105 13.165 3.742 -7.377 1.00 0.00 H new ATOM 0 HG SER A 105 11.113 5.651 -7.886 1.00 0.00 H new ATOM 1616 N VAL A 106 11.586 1.790 -5.259 1.00 0.00 N ATOM 1617 CA VAL A 106 12.059 0.712 -4.388 1.00 0.00 C ATOM 1618 C VAL A 106 11.278 -0.586 -4.613 1.00 0.00 C ATOM 1619 O VAL A 106 11.870 -1.664 -4.682 1.00 0.00 O ATOM 1620 CB VAL A 106 11.987 1.102 -2.894 1.00 0.00 C ATOM 1621 CG1 VAL A 106 10.553 1.372 -2.462 1.00 0.00 C ATOM 1622 CG2 VAL A 106 12.616 0.017 -2.033 1.00 0.00 C ATOM 0 H VAL A 106 11.177 2.582 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 106 13.103 0.545 -4.655 1.00 0.00 H new ATOM 0 HB VAL A 106 12.551 2.024 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.536 1.644 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.143 2.190 -3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.952 0.476 -2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 106 12.558 0.306 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.081 -0.921 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 106 13.661 -0.112 -2.316 1.00 0.00 H new ATOM 1632 N PHE A 107 9.952 -0.479 -4.731 1.00 0.00 N ATOM 1633 CA PHE A 107 9.105 -1.651 -4.952 1.00 0.00 C ATOM 1634 C PHE A 107 9.483 -2.355 -6.253 1.00 0.00 C ATOM 1635 O PHE A 107 9.518 -3.583 -6.312 1.00 0.00 O ATOM 1636 CB PHE A 107 7.626 -1.254 -4.986 1.00 0.00 C ATOM 1637 CG PHE A 107 6.696 -2.382 -4.630 1.00 0.00 C ATOM 1638 CD1 PHE A 107 6.324 -2.600 -3.313 1.00 0.00 C ATOM 1639 CD2 PHE A 107 6.198 -3.226 -5.611 1.00 0.00 C ATOM 1640 CE1 PHE A 107 5.473 -3.636 -2.981 1.00 0.00 C ATOM 1641 CE2 PHE A 107 5.347 -4.265 -5.284 1.00 0.00 C ATOM 1642 CZ PHE A 107 4.984 -4.470 -3.967 1.00 0.00 C ATOM 0 H PHE A 107 9.444 0.404 -4.677 1.00 0.00 H new ATOM 0 HA PHE A 107 9.265 -2.339 -4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 107 7.463 -0.427 -4.295 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.378 -0.889 -5.983 1.00 0.00 H new ATOM 0 HD1 PHE A 107 6.704 -1.952 -2.537 1.00 0.00 H new ATOM 0 HD2 PHE A 107 6.478 -3.070 -6.642 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.190 -3.794 -1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.966 -4.916 -6.057 1.00 0.00 H new ATOM 0 HZ PHE A 107 4.319 -5.281 -3.709 1.00 0.00 H new ATOM 1652 N THR A 108 9.772 -1.566 -7.291 1.00 0.00 N ATOM 1653 CA THR A 108 10.155 -2.113 -8.592 1.00 0.00 C ATOM 1654 C THR A 108 11.445 -2.929 -8.483 1.00 0.00 C ATOM 1655 O THR A 108 11.558 -3.998 -9.086 1.00 0.00 O ATOM 1656 CB THR A 108 10.327 -0.988 -9.622 1.00 0.00 C ATOM 1657 OG1 THR A 108 9.118 -0.263 -9.776 1.00 0.00 O ATOM 1658 CG2 THR A 108 10.744 -1.481 -10.994 1.00 0.00 C ATOM 0 H THR A 108 9.748 -0.547 -7.254 1.00 0.00 H new ATOM 0 HA THR A 108 9.356 -2.775 -8.926 1.00 0.00 H new ATOM 0 HB THR A 108 11.123 -0.357 -9.227 1.00 0.00 H new ATOM 0 HG1 THR A 108 8.933 0.242 -8.957 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.846 -0.632 -11.670 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.698 -2.002 -10.919 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.987 -2.164 -11.381 1.00 0.00 H new ATOM 1666 N SER A 109 12.409 -2.425 -7.709 1.00 0.00 N ATOM 1667 CA SER A 109 13.685 -3.121 -7.524 1.00 0.00 C ATOM 1668 C SER A 109 13.471 -4.467 -6.835 1.00 0.00 C ATOM 1669 O SER A 109 14.032 -5.483 -7.250 1.00 0.00 O ATOM 1670 CB SER A 109 14.653 -2.266 -6.698 1.00 0.00 C ATOM 1671 OG SER A 109 14.531 -0.888 -7.014 1.00 0.00 O ATOM 0 H SER A 109 12.332 -1.543 -7.203 1.00 0.00 H new ATOM 0 HA SER A 109 14.118 -3.294 -8.509 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.457 -2.415 -5.636 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.676 -2.593 -6.882 1.00 0.00 H new ATOM 0 HG SER A 109 15.160 -0.371 -6.469 1.00 0.00 H new ATOM 1677 N VAL A 110 12.642 -4.469 -5.789 1.00 0.00 N ATOM 1678 CA VAL A 110 12.342 -5.693 -5.050 1.00 0.00 C ATOM 1679 C VAL A 110 11.537 -6.660 -5.916 1.00 0.00 C ATOM 1680 O VAL A 110 11.869 -7.841 -6.007 1.00 0.00 O ATOM 1681 CB VAL A 110 11.557 -5.404 -3.748 1.00 0.00 C ATOM 1682 CG1 VAL A 110 11.381 -6.679 -2.932 1.00 0.00 C ATOM 1683 CG2 VAL A 110 12.249 -4.329 -2.920 1.00 0.00 C ATOM 0 H VAL A 110 12.168 -3.637 -5.437 1.00 0.00 H new ATOM 0 HA VAL A 110 13.298 -6.144 -4.783 1.00 0.00 H new ATOM 0 HB VAL A 110 10.570 -5.034 -4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 110 10.827 -6.454 -2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 110 10.831 -7.414 -3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 110 12.360 -7.082 -2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 110 11.677 -4.145 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.252 -4.663 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.314 -3.408 -3.500 1.00 0.00 H new ATOM 1693 N ARG A 111 10.480 -6.146 -6.552 1.00 0.00 N ATOM 1694 CA ARG A 111 9.624 -6.962 -7.415 1.00 0.00 C ATOM 1695 C ARG A 111 10.425 -7.619 -8.542 1.00 0.00 C ATOM 1696 O ARG A 111 10.194 -8.781 -8.873 1.00 0.00 O ATOM 1697 CB ARG A 111 8.492 -6.114 -8.007 1.00 0.00 C ATOM 1698 CG ARG A 111 7.104 -6.587 -7.610 1.00 0.00 C ATOM 1699 CD ARG A 111 6.473 -7.451 -8.694 1.00 0.00 C ATOM 1700 NE ARG A 111 6.447 -8.870 -8.331 1.00 0.00 N ATOM 1701 CZ ARG A 111 5.665 -9.780 -8.922 1.00 0.00 C ATOM 1702 NH1 ARG A 111 4.837 -9.428 -9.902 1.00 0.00 N ATOM 1703 NH2 ARG A 111 5.715 -11.049 -8.534 1.00 0.00 N ATOM 0 H ARG A 111 10.197 -5.168 -6.485 1.00 0.00 H new ATOM 0 HA ARG A 111 9.196 -7.751 -6.798 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.619 -5.080 -7.687 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.573 -6.124 -9.094 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.164 -7.154 -6.681 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.467 -5.724 -7.415 1.00 0.00 H new ATOM 0 HD2 ARG A 111 5.456 -7.108 -8.882 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.028 -7.326 -9.624 1.00 0.00 H new ATOM 0 HE ARG A 111 7.063 -9.183 -7.581 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.794 -8.456 -10.209 1.00 0.00 H new ATOM 0 HH12 ARG A 111 4.245 -10.130 -10.346 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.349 -11.329 -7.786 1.00 0.00 H new ATOM 0 HH22 ARG A 111 5.119 -11.744 -8.984 1.00 0.00 H new ATOM 1717 N GLN A 112 11.364 -6.873 -9.128 1.00 0.00 N ATOM 1718 CA GLN A 112 12.188 -7.397 -10.217 1.00 0.00 C ATOM 1719 C GLN A 112 13.108 -8.516 -9.727 1.00 0.00 C ATOM 1720 O GLN A 112 13.162 -9.591 -10.327 1.00 0.00 O ATOM 1721 CB GLN A 112 13.026 -6.280 -10.845 1.00 0.00 C ATOM 1722 CG GLN A 112 12.441 -5.731 -12.137 1.00 0.00 C ATOM 1723 CD GLN A 112 13.347 -4.716 -12.811 1.00 0.00 C ATOM 1724 OE1 GLN A 112 14.573 -4.806 -12.727 1.00 0.00 O ATOM 1725 NE2 GLN A 112 12.747 -3.743 -13.486 1.00 0.00 N ATOM 0 H GLN A 112 11.571 -5.909 -8.868 1.00 0.00 H new ATOM 0 HA GLN A 112 11.515 -7.806 -10.970 1.00 0.00 H new ATOM 0 HB2 GLN A 112 13.127 -5.466 -10.127 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.029 -6.657 -11.042 1.00 0.00 H new ATOM 0 HG2 GLN A 112 12.253 -6.556 -12.824 1.00 0.00 H new ATOM 0 HG3 GLN A 112 11.478 -5.267 -11.925 1.00 0.00 H new ATOM 0 HE21 GLN A 112 11.729 -3.706 -13.530 1.00 0.00 H new ATOM 0 HE22 GLN A 112 13.304 -3.033 -13.960 1.00 0.00 H new ATOM 1734 N LYS A 113 13.837 -8.255 -8.642 1.00 0.00 N ATOM 1735 CA LYS A 113 14.762 -9.236 -8.079 1.00 0.00 C ATOM 1736 C LYS A 113 14.019 -10.449 -7.509 1.00 0.00 C ATOM 1737 O LYS A 113 14.425 -11.589 -7.734 1.00 0.00 O ATOM 1738 CB LYS A 113 15.636 -8.590 -6.997 1.00 0.00 C ATOM 1739 CG LYS A 113 17.022 -8.186 -7.488 1.00 0.00 C ATOM 1740 CD LYS A 113 16.949 -7.147 -8.602 1.00 0.00 C ATOM 1741 CE LYS A 113 16.963 -5.726 -8.051 1.00 0.00 C ATOM 1742 NZ LYS A 113 18.342 -5.263 -7.725 1.00 0.00 N ATOM 0 H LYS A 113 13.804 -7.370 -8.135 1.00 0.00 H new ATOM 0 HA LYS A 113 15.402 -9.588 -8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 113 15.126 -7.708 -6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 113 15.744 -9.287 -6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 113 17.600 -7.786 -6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 113 17.551 -9.068 -7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 113 17.791 -7.282 -9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 113 16.041 -7.302 -9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 113 16.518 -5.050 -8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 113 16.344 -5.679 -7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 18.304 -4.292 -7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 18.759 -5.891 -7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 18.927 -5.282 -8.585 1.00 0.00 H new ATOM 1756 N ILE A 114 12.931 -10.200 -6.778 1.00 0.00 N ATOM 1757 CA ILE A 114 12.139 -11.278 -6.189 1.00 0.00 C ATOM 1758 C ILE A 114 11.490 -12.151 -7.269 1.00 0.00 C ATOM 1759 O ILE A 114 11.362 -13.364 -7.097 1.00 0.00 O ATOM 1760 CB ILE A 114 11.054 -10.727 -5.228 1.00 0.00 C ATOM 1761 CG1 ILE A 114 10.542 -11.836 -4.309 1.00 0.00 C ATOM 1762 CG2 ILE A 114 9.901 -10.094 -5.996 1.00 0.00 C ATOM 1763 CD1 ILE A 114 11.013 -11.701 -2.878 1.00 0.00 C ATOM 0 H ILE A 114 12.580 -9.263 -6.581 1.00 0.00 H new ATOM 0 HA ILE A 114 12.826 -11.897 -5.612 1.00 0.00 H new ATOM 0 HB ILE A 114 11.512 -9.949 -4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 114 9.452 -11.836 -4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 114 10.867 -12.800 -4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 114 9.158 -9.718 -5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.277 -9.270 -6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 114 9.442 -10.841 -6.644 1.00 0.00 H new ATOM 0 HD11 ILE A 114 10.611 -12.522 -2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.102 -11.731 -2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 114 10.665 -10.753 -2.468 1.00 0.00 H new ATOM 1775 N GLU A 115 11.088 -11.528 -8.380 1.00 0.00 N ATOM 1776 CA GLU A 115 10.458 -12.248 -9.486 1.00 0.00 C ATOM 1777 C GLU A 115 11.417 -13.265 -10.105 1.00 0.00 C ATOM 1778 O GLU A 115 11.024 -14.393 -10.406 1.00 0.00 O ATOM 1779 CB GLU A 115 9.987 -11.269 -10.564 1.00 0.00 C ATOM 1780 CG GLU A 115 8.491 -10.985 -10.521 1.00 0.00 C ATOM 1781 CD GLU A 115 7.676 -11.900 -11.425 1.00 0.00 C ATOM 1782 OE1 GLU A 115 8.258 -12.528 -12.336 1.00 0.00 O ATOM 1783 OE2 GLU A 115 6.448 -11.990 -11.219 1.00 0.00 O ATOM 0 H GLU A 115 11.189 -10.525 -8.536 1.00 0.00 H new ATOM 0 HA GLU A 115 9.598 -12.783 -9.082 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.530 -10.330 -10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.244 -11.671 -11.544 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.138 -11.091 -9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.317 -9.949 -10.812 1.00 0.00 H new