USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 606 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 72 LYS NZ :NH3+ -129:sc= 0.823 (180deg=-0.000436) USER MOD Set 1.2: A 82 GLN : amide:sc= -0.0111 K(o=-0.95,f=1.1) USER MOD Set 1.3: A 83 HIS : no HE2:sc= -1.76 K(o=-0.95,f=-2.4) USER MOD Single : A 26 MET CE :methyl -134:sc= -0.0461 (180deg=-0.56) USER MOD Single : A 27 LYS NZ :NH3+ -127:sc= 0.408 (180deg=-0.1) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.054) USER MOD Single : A 32 THR OG1 : rot -30:sc= 1.11 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.633 K(o=0.63,f=0) USER MOD Single : A 45 SER OG : rot -170:sc= -0.898 USER MOD Single : A 46 SER OG : rot -160:sc= -0.529 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 49 GLN : amide:sc= -0.775 K(o=-0.77,f=-4.2!) USER MOD Single : A 51 LYS NZ :NH3+ 164:sc= -0.0528 (180deg=-0.302) USER MOD Single : A 55 SER OG : rot 49:sc= 0.463 USER MOD Single : A 56 LYS NZ :NH3+ -175:sc=-0.00147 (180deg=-0.042) USER MOD Single : A 59 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0584) USER MOD Single : A 60 SER OG : rot 62:sc= 0.282 USER MOD Single : A 61 HIS : no HD1:sc= 0.00318 X(o=0.0032,f=-0.28) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 75 LYS NZ :NH3+ 142:sc= -0.898 (180deg=-2.89!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00456 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= 0.287 K(o=0.29,f=-1) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc=-0.00826 X(o=-0.0083,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 25 -10.872 14.187 6.112 1.00 0.00 N ATOM 38 CA ILE A 25 -9.879 13.114 6.209 1.00 0.00 C ATOM 39 C ILE A 25 -9.329 12.819 4.793 1.00 0.00 C ATOM 40 O ILE A 25 -10.048 12.996 3.797 1.00 0.00 O ATOM 41 CB ILE A 25 -10.517 11.843 6.881 1.00 0.00 C ATOM 42 CG1 ILE A 25 -9.412 10.925 7.474 1.00 0.00 C ATOM 43 CG2 ILE A 25 -11.428 11.058 5.906 1.00 0.00 C ATOM 44 CD1 ILE A 25 -9.918 9.788 8.328 1.00 0.00 C ATOM 0 HA ILE A 25 -9.046 13.419 6.843 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.153 12.192 7.694 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.826 10.511 6.654 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.736 11.536 8.072 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.845 10.190 6.417 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.239 11.703 5.566 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.843 10.728 5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.073 9.205 8.695 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.477 10.189 9.173 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.569 9.148 7.733 1.00 0.00 H new ATOM 56 N MET A 26 -8.066 12.371 4.693 1.00 0.00 N ATOM 57 CA MET A 26 -7.391 12.246 3.386 1.00 0.00 C ATOM 58 C MET A 26 -7.837 10.960 2.680 1.00 0.00 C ATOM 59 O MET A 26 -7.508 9.847 3.103 1.00 0.00 O ATOM 60 CB MET A 26 -5.851 12.300 3.549 1.00 0.00 C ATOM 61 CG MET A 26 -5.298 13.667 3.988 1.00 0.00 C ATOM 62 SD MET A 26 -5.710 15.008 2.838 1.00 0.00 S ATOM 63 CE MET A 26 -7.195 15.731 3.554 1.00 0.00 C ATOM 0 H MET A 26 -7.495 12.092 5.491 1.00 0.00 H new ATOM 0 HA MET A 26 -7.680 13.092 2.762 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.550 11.550 4.280 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.389 12.024 2.601 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.691 13.910 4.975 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.214 13.599 4.084 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.938 15.885 2.772 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.599 15.058 4.311 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.948 16.688 4.014 1.00 0.00 H new ATOM 73 N LYS A 27 -8.639 11.154 1.617 1.00 0.00 N ATOM 74 CA LYS A 27 -9.202 10.075 0.806 1.00 0.00 C ATOM 75 C LYS A 27 -8.156 9.639 -0.223 1.00 0.00 C ATOM 76 O LYS A 27 -7.970 10.290 -1.261 1.00 0.00 O ATOM 77 CB LYS A 27 -10.500 10.560 0.104 1.00 0.00 C ATOM 78 CG LYS A 27 -11.508 11.285 1.031 1.00 0.00 C ATOM 79 CD LYS A 27 -12.012 10.422 2.208 1.00 0.00 C ATOM 80 CE LYS A 27 -12.748 9.145 1.748 1.00 0.00 C ATOM 81 NZ LYS A 27 -13.889 9.451 0.839 1.00 0.00 N ATOM 0 H LYS A 27 -8.915 12.083 1.298 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.460 9.226 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.227 11.233 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.996 9.700 -0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.038 12.185 1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.364 11.608 0.438 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.165 10.141 2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.682 11.018 2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.045 8.486 1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.115 8.605 2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.753 8.999 1.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.030 10.480 0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.682 9.087 -0.113 1.00 0.00 H new ATOM 95 N VAL A 28 -7.417 8.589 0.126 1.00 0.00 N ATOM 96 CA VAL A 28 -6.313 8.075 -0.677 1.00 0.00 C ATOM 97 C VAL A 28 -6.723 6.782 -1.382 1.00 0.00 C ATOM 98 O VAL A 28 -6.841 5.732 -0.748 1.00 0.00 O ATOM 99 CB VAL A 28 -5.065 7.808 0.232 1.00 0.00 C ATOM 100 CG1 VAL A 28 -3.876 7.280 -0.600 1.00 0.00 C ATOM 101 CG2 VAL A 28 -4.709 9.078 1.045 1.00 0.00 C ATOM 0 H VAL A 28 -7.571 8.064 0.987 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.056 8.821 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.310 7.025 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.023 7.103 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.159 6.347 -1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.606 8.017 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.840 8.877 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.482 9.896 0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.554 9.356 1.675 1.00 0.00 H new ATOM 111 N THR A 29 -6.902 6.865 -2.697 1.00 0.00 N ATOM 112 CA THR A 29 -7.214 5.705 -3.527 1.00 0.00 C ATOM 113 C THR A 29 -5.904 4.979 -3.881 1.00 0.00 C ATOM 114 O THR A 29 -4.862 5.609 -4.029 1.00 0.00 O ATOM 115 CB THR A 29 -7.987 6.134 -4.814 1.00 0.00 C ATOM 116 OG1 THR A 29 -9.120 6.935 -4.439 1.00 0.00 O ATOM 117 CG2 THR A 29 -8.476 4.919 -5.614 1.00 0.00 C ATOM 0 H THR A 29 -6.835 7.739 -3.218 1.00 0.00 H new ATOM 0 HA THR A 29 -7.862 5.025 -2.974 1.00 0.00 H new ATOM 0 HB THR A 29 -7.303 6.703 -5.444 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.608 7.209 -5.244 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.009 5.259 -6.502 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.621 4.313 -5.914 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.146 4.321 -4.995 1.00 0.00 H new ATOM 125 N VAL A 30 -5.945 3.649 -3.894 1.00 0.00 N ATOM 126 CA VAL A 30 -4.801 2.795 -4.232 1.00 0.00 C ATOM 127 C VAL A 30 -5.225 1.833 -5.348 1.00 0.00 C ATOM 128 O VAL A 30 -6.150 1.029 -5.176 1.00 0.00 O ATOM 129 CB VAL A 30 -4.286 2.015 -2.967 1.00 0.00 C ATOM 130 CG1 VAL A 30 -3.265 0.921 -3.330 1.00 0.00 C ATOM 131 CG2 VAL A 30 -3.685 2.999 -1.934 1.00 0.00 C ATOM 0 H VAL A 30 -6.788 3.122 -3.666 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.972 3.411 -4.581 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.147 1.514 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.940 0.411 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.728 0.201 -4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.404 1.375 -3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.333 2.444 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.850 3.535 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.449 3.713 -1.624 1.00 0.00 H new ATOM 141 N LYS A 31 -4.549 1.953 -6.496 1.00 0.00 N ATOM 142 CA LYS A 31 -4.853 1.199 -7.712 1.00 0.00 C ATOM 143 C LYS A 31 -3.919 -0.013 -7.820 1.00 0.00 C ATOM 144 O LYS A 31 -2.717 0.075 -7.538 1.00 0.00 O ATOM 145 CB LYS A 31 -4.712 2.146 -8.944 1.00 0.00 C ATOM 146 CG LYS A 31 -5.038 1.541 -10.343 1.00 0.00 C ATOM 147 CD LYS A 31 -3.829 0.840 -11.020 1.00 0.00 C ATOM 148 CE LYS A 31 -4.168 0.236 -12.390 1.00 0.00 C ATOM 149 NZ LYS A 31 -4.588 1.272 -13.362 1.00 0.00 N ATOM 0 H LYS A 31 -3.760 2.590 -6.605 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.876 0.824 -7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.363 3.006 -8.787 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.689 2.521 -8.967 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.850 0.822 -10.237 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.398 2.335 -10.997 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.019 1.560 -11.138 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.461 0.051 -10.364 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.298 -0.295 -12.778 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.965 -0.499 -12.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.710 0.839 -14.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.489 1.692 -13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.861 2.014 -13.415 1.00 0.00 H new ATOM 163 N THR A 32 -4.511 -1.137 -8.236 1.00 0.00 N ATOM 164 CA THR A 32 -3.816 -2.390 -8.547 1.00 0.00 C ATOM 165 C THR A 32 -4.300 -2.876 -9.931 1.00 0.00 C ATOM 166 O THR A 32 -5.335 -2.389 -10.421 1.00 0.00 O ATOM 167 CB THR A 32 -4.115 -3.475 -7.446 1.00 0.00 C ATOM 168 OG1 THR A 32 -5.527 -3.732 -7.353 1.00 0.00 O ATOM 169 CG2 THR A 32 -3.590 -3.041 -6.077 1.00 0.00 C ATOM 0 H THR A 32 -5.520 -1.202 -8.370 1.00 0.00 H new ATOM 0 HA THR A 32 -2.739 -2.226 -8.564 1.00 0.00 H new ATOM 0 HB THR A 32 -3.600 -4.388 -7.745 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.023 -2.920 -7.587 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.813 -3.813 -5.340 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.512 -2.892 -6.131 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.071 -2.108 -5.782 1.00 0.00 H new ATOM 177 N PRO A 33 -3.583 -3.847 -10.594 1.00 0.00 N ATOM 178 CA PRO A 33 -4.039 -4.464 -11.880 1.00 0.00 C ATOM 179 C PRO A 33 -5.413 -5.179 -11.766 1.00 0.00 C ATOM 180 O PRO A 33 -6.018 -5.532 -12.778 1.00 0.00 O ATOM 181 CB PRO A 33 -2.900 -5.480 -12.201 1.00 0.00 C ATOM 182 CG PRO A 33 -2.230 -5.733 -10.884 1.00 0.00 C ATOM 183 CD PRO A 33 -2.260 -4.403 -10.181 1.00 0.00 C ATOM 0 HA PRO A 33 -4.199 -3.716 -12.656 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.300 -6.401 -12.625 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.199 -5.072 -12.929 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.757 -6.496 -10.311 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.208 -6.086 -11.021 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.187 -4.514 -9.099 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.436 -3.761 -10.492 1.00 0.00 H new ATOM 191 N LYS A 34 -5.887 -5.371 -10.521 1.00 0.00 N ATOM 192 CA LYS A 34 -7.095 -6.145 -10.205 1.00 0.00 C ATOM 193 C LYS A 34 -8.291 -5.209 -9.931 1.00 0.00 C ATOM 194 O LYS A 34 -9.362 -5.352 -10.532 1.00 0.00 O ATOM 195 CB LYS A 34 -6.792 -7.024 -8.957 1.00 0.00 C ATOM 196 CG LYS A 34 -5.424 -7.753 -9.026 1.00 0.00 C ATOM 197 CD LYS A 34 -5.149 -8.654 -7.807 1.00 0.00 C ATOM 198 CE LYS A 34 -5.173 -7.908 -6.456 1.00 0.00 C ATOM 199 NZ LYS A 34 -5.013 -8.849 -5.305 1.00 0.00 N ATOM 0 H LYS A 34 -5.431 -4.985 -9.694 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.363 -6.776 -11.053 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.815 -6.396 -8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.583 -7.765 -8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.389 -8.359 -9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.629 -7.012 -9.107 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.891 -9.452 -7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.175 -9.128 -7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.374 -7.167 -6.435 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.113 -7.366 -6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.034 -8.314 -4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.790 -9.541 -5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.104 -9.348 -5.388 1.00 0.00 H new ATOM 213 N GLU A 35 -8.078 -4.244 -9.019 1.00 0.00 N ATOM 214 CA GLU A 35 -9.147 -3.359 -8.494 1.00 0.00 C ATOM 215 C GLU A 35 -8.543 -2.047 -7.947 1.00 0.00 C ATOM 216 O GLU A 35 -7.370 -1.759 -8.184 1.00 0.00 O ATOM 217 CB GLU A 35 -9.919 -4.118 -7.382 1.00 0.00 C ATOM 218 CG GLU A 35 -9.050 -4.495 -6.165 1.00 0.00 C ATOM 219 CD GLU A 35 -9.766 -5.386 -5.145 1.00 0.00 C ATOM 220 OE1 GLU A 35 -10.804 -4.963 -4.593 1.00 0.00 O ATOM 221 OE2 GLU A 35 -9.286 -6.513 -4.880 1.00 0.00 O ATOM 0 H GLU A 35 -7.159 -4.051 -8.621 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.835 -3.095 -9.297 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.751 -3.500 -7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.347 -5.026 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.154 -5.008 -6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.721 -3.582 -5.668 1.00 0.00 H new ATOM 228 N LYS A 36 -9.360 -1.251 -7.232 1.00 0.00 N ATOM 229 CA LYS A 36 -8.903 -0.028 -6.553 1.00 0.00 C ATOM 230 C LYS A 36 -9.728 0.206 -5.268 1.00 0.00 C ATOM 231 O LYS A 36 -10.967 0.175 -5.290 1.00 0.00 O ATOM 232 CB LYS A 36 -8.963 1.192 -7.524 1.00 0.00 C ATOM 233 CG LYS A 36 -10.365 1.501 -8.109 1.00 0.00 C ATOM 234 CD LYS A 36 -10.340 2.542 -9.253 1.00 0.00 C ATOM 235 CE LYS A 36 -9.764 3.902 -8.831 1.00 0.00 C ATOM 236 NZ LYS A 36 -9.759 4.876 -9.955 1.00 0.00 N ATOM 0 H LYS A 36 -10.355 -1.439 -7.110 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.861 -0.149 -6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.605 2.075 -6.995 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.274 1.014 -8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.807 0.576 -8.479 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.011 1.866 -7.310 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.750 2.147 -10.080 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.354 2.686 -9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.351 4.304 -8.005 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.747 3.767 -8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.363 5.781 -9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.178 4.504 -10.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.732 5.025 -10.290 1.00 0.00 H new ATOM 250 N GLU A 37 -9.015 0.394 -4.145 1.00 0.00 N ATOM 251 CA GLU A 37 -9.601 0.632 -2.809 1.00 0.00 C ATOM 252 C GLU A 37 -9.208 2.030 -2.310 1.00 0.00 C ATOM 253 O GLU A 37 -8.058 2.435 -2.455 1.00 0.00 O ATOM 254 CB GLU A 37 -9.099 -0.455 -1.813 1.00 0.00 C ATOM 255 CG GLU A 37 -9.646 -1.872 -2.070 1.00 0.00 C ATOM 256 CD GLU A 37 -11.154 -1.979 -1.805 1.00 0.00 C ATOM 257 OE1 GLU A 37 -11.546 -2.114 -0.634 1.00 0.00 O ATOM 258 OE2 GLU A 37 -11.953 -1.917 -2.754 1.00 0.00 O ATOM 0 H GLU A 37 -7.995 0.385 -4.137 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.687 0.575 -2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.010 -0.489 -1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.372 -0.154 -0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.441 -2.155 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.118 -2.582 -1.434 1.00 0.00 H new ATOM 265 N GLU A 38 -10.168 2.752 -1.709 1.00 0.00 N ATOM 266 CA GLU A 38 -9.949 4.103 -1.176 1.00 0.00 C ATOM 267 C GLU A 38 -9.907 4.031 0.360 1.00 0.00 C ATOM 268 O GLU A 38 -10.810 3.469 0.992 1.00 0.00 O ATOM 269 CB GLU A 38 -11.057 5.065 -1.670 1.00 0.00 C ATOM 270 CG GLU A 38 -10.878 6.529 -1.219 1.00 0.00 C ATOM 271 CD GLU A 38 -11.993 7.453 -1.727 1.00 0.00 C ATOM 272 OE1 GLU A 38 -13.086 7.465 -1.123 1.00 0.00 O ATOM 273 OE2 GLU A 38 -11.786 8.174 -2.728 1.00 0.00 O ATOM 0 H GLU A 38 -11.121 2.412 -1.580 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.998 4.495 -1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.089 5.034 -2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.021 4.703 -1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.850 6.567 -0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.917 6.898 -1.576 1.00 0.00 H new ATOM 280 N PHE A 39 -8.840 4.597 0.929 1.00 0.00 N ATOM 281 CA PHE A 39 -8.518 4.554 2.361 1.00 0.00 C ATOM 282 C PHE A 39 -8.642 5.965 2.939 1.00 0.00 C ATOM 283 O PHE A 39 -8.005 6.893 2.442 1.00 0.00 O ATOM 284 CB PHE A 39 -7.064 4.054 2.566 1.00 0.00 C ATOM 285 CG PHE A 39 -6.782 2.692 1.949 1.00 0.00 C ATOM 286 CD1 PHE A 39 -6.482 2.572 0.594 1.00 0.00 C ATOM 287 CD2 PHE A 39 -6.832 1.537 2.715 1.00 0.00 C ATOM 288 CE1 PHE A 39 -6.247 1.335 0.031 1.00 0.00 C ATOM 289 CE2 PHE A 39 -6.592 0.309 2.152 1.00 0.00 C ATOM 290 CZ PHE A 39 -6.301 0.205 0.808 1.00 0.00 C ATOM 0 H PHE A 39 -8.150 5.117 0.387 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.206 3.874 2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.377 4.784 2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.855 4.007 3.635 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.433 3.457 -0.023 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.063 1.605 3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.020 1.256 -1.022 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.631 -0.580 2.764 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.116 -0.764 0.368 1.00 0.00 H new ATOM 300 N ALA A 40 -9.458 6.122 3.978 1.00 0.00 N ATOM 301 CA ALA A 40 -9.595 7.386 4.703 1.00 0.00 C ATOM 302 C ALA A 40 -8.561 7.416 5.840 1.00 0.00 C ATOM 303 O ALA A 40 -8.697 6.687 6.826 1.00 0.00 O ATOM 304 CB ALA A 40 -11.023 7.519 5.234 1.00 0.00 C ATOM 0 H ALA A 40 -10.046 5.373 4.344 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.408 8.232 4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.124 8.461 5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.724 7.502 4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.240 6.690 5.907 1.00 0.00 H new ATOM 310 N VAL A 41 -7.516 8.244 5.679 1.00 0.00 N ATOM 311 CA VAL A 41 -6.366 8.301 6.608 1.00 0.00 C ATOM 312 C VAL A 41 -6.229 9.724 7.173 1.00 0.00 C ATOM 313 O VAL A 41 -6.350 10.694 6.419 1.00 0.00 O ATOM 314 CB VAL A 41 -5.028 7.830 5.915 1.00 0.00 C ATOM 315 CG1 VAL A 41 -5.164 6.374 5.429 1.00 0.00 C ATOM 316 CG2 VAL A 41 -4.589 8.761 4.755 1.00 0.00 C ATOM 0 H VAL A 41 -7.441 8.897 4.899 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.553 7.609 7.429 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.241 7.886 6.667 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.235 6.061 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.373 5.725 6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.981 6.305 4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.664 8.386 4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.367 8.784 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.427 9.768 5.138 1.00 0.00 H new ATOM 326 N PRO A 42 -6.011 9.892 8.519 1.00 0.00 N ATOM 327 CA PRO A 42 -5.993 11.222 9.172 1.00 0.00 C ATOM 328 C PRO A 42 -4.640 11.958 9.005 1.00 0.00 C ATOM 329 O PRO A 42 -4.132 12.543 9.960 1.00 0.00 O ATOM 330 CB PRO A 42 -6.299 10.859 10.647 1.00 0.00 C ATOM 331 CG PRO A 42 -5.658 9.521 10.842 1.00 0.00 C ATOM 332 CD PRO A 42 -5.781 8.801 9.511 1.00 0.00 C ATOM 0 HA PRO A 42 -6.704 11.926 8.740 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.888 11.600 11.332 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.372 10.816 10.831 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.613 9.628 11.133 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.154 8.962 11.635 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.877 8.237 9.279 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.607 8.090 9.519 1.00 0.00 H new ATOM 340 N GLU A 43 -4.077 11.908 7.767 1.00 0.00 N ATOM 341 CA GLU A 43 -2.830 12.610 7.304 1.00 0.00 C ATOM 342 C GLU A 43 -1.593 12.408 8.219 1.00 0.00 C ATOM 343 O GLU A 43 -0.592 13.127 8.091 1.00 0.00 O ATOM 344 CB GLU A 43 -3.104 14.127 7.034 1.00 0.00 C ATOM 345 CG GLU A 43 -3.312 15.003 8.281 1.00 0.00 C ATOM 346 CD GLU A 43 -3.596 16.464 7.946 1.00 0.00 C ATOM 347 OE1 GLU A 43 -4.763 16.794 7.647 1.00 0.00 O ATOM 348 OE2 GLU A 43 -2.659 17.289 7.972 1.00 0.00 O ATOM 0 H GLU A 43 -4.495 11.351 7.022 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.562 12.127 6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.268 14.532 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.989 14.210 6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.141 14.603 8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.423 14.947 8.909 1.00 0.00 H new ATOM 355 N ASN A 44 -1.651 11.393 9.100 1.00 0.00 N ATOM 356 CA ASN A 44 -0.579 11.064 10.067 1.00 0.00 C ATOM 357 C ASN A 44 -0.265 9.566 10.028 1.00 0.00 C ATOM 358 O ASN A 44 0.641 9.104 10.735 1.00 0.00 O ATOM 359 CB ASN A 44 -0.976 11.513 11.507 1.00 0.00 C ATOM 360 CG ASN A 44 -0.834 13.023 11.716 1.00 0.00 C ATOM 361 OD1 ASN A 44 0.223 13.499 12.127 1.00 0.00 O ATOM 362 ND2 ASN A 44 -1.873 13.785 11.411 1.00 0.00 N ATOM 0 H ASN A 44 -2.454 10.767 9.164 1.00 0.00 H new ATOM 0 HA ASN A 44 0.321 11.609 9.782 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.007 11.219 11.704 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.352 10.990 12.231 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.811 14.798 11.515 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.736 13.359 11.072 1.00 0.00 H new ATOM 369 N SER A 45 -1.031 8.809 9.209 1.00 0.00 N ATOM 370 CA SER A 45 -0.747 7.402 8.938 1.00 0.00 C ATOM 371 C SER A 45 0.600 7.266 8.204 1.00 0.00 C ATOM 372 O SER A 45 0.853 7.974 7.220 1.00 0.00 O ATOM 373 CB SER A 45 -1.890 6.779 8.100 1.00 0.00 C ATOM 374 OG SER A 45 -3.140 6.900 8.772 1.00 0.00 O ATOM 0 H SER A 45 -1.856 9.164 8.726 1.00 0.00 H new ATOM 0 HA SER A 45 -0.681 6.865 9.884 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.945 7.273 7.130 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.675 5.727 7.910 1.00 0.00 H new ATOM 0 HG SER A 45 -3.816 6.366 8.305 1.00 0.00 H new ATOM 380 N SER A 46 1.479 6.412 8.736 1.00 0.00 N ATOM 381 CA SER A 46 2.688 5.974 8.027 1.00 0.00 C ATOM 382 C SER A 46 2.311 4.904 7.002 1.00 0.00 C ATOM 383 O SER A 46 1.217 4.335 7.080 1.00 0.00 O ATOM 384 CB SER A 46 3.727 5.418 9.028 1.00 0.00 C ATOM 385 OG SER A 46 3.202 4.330 9.771 1.00 0.00 O ATOM 0 H SER A 46 1.375 6.006 9.666 1.00 0.00 H new ATOM 0 HA SER A 46 3.133 6.826 7.513 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.617 5.095 8.488 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.037 6.210 9.710 1.00 0.00 H new ATOM 0 HG SER A 46 3.731 4.206 10.587 1.00 0.00 H new ATOM 391 N VAL A 47 3.215 4.622 6.051 1.00 0.00 N ATOM 392 CA VAL A 47 3.042 3.491 5.119 1.00 0.00 C ATOM 393 C VAL A 47 3.116 2.157 5.902 1.00 0.00 C ATOM 394 O VAL A 47 2.489 1.177 5.514 1.00 0.00 O ATOM 395 CB VAL A 47 4.096 3.534 3.958 1.00 0.00 C ATOM 396 CG1 VAL A 47 3.943 2.346 2.971 1.00 0.00 C ATOM 397 CG2 VAL A 47 4.019 4.888 3.213 1.00 0.00 C ATOM 0 H VAL A 47 4.071 5.158 5.905 1.00 0.00 H new ATOM 0 HA VAL A 47 2.060 3.570 4.653 1.00 0.00 H new ATOM 0 HB VAL A 47 5.082 3.435 4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.697 2.425 2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.075 1.407 3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.950 2.371 2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.756 4.904 2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.021 5.016 2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.225 5.700 3.911 1.00 0.00 H new ATOM 407 N GLN A 48 3.835 2.183 7.053 1.00 0.00 N ATOM 408 CA GLN A 48 3.904 1.060 8.019 1.00 0.00 C ATOM 409 C GLN A 48 2.502 0.697 8.557 1.00 0.00 C ATOM 410 O GLN A 48 2.213 -0.464 8.822 1.00 0.00 O ATOM 411 CB GLN A 48 4.826 1.435 9.212 1.00 0.00 C ATOM 412 CG GLN A 48 5.132 0.275 10.184 1.00 0.00 C ATOM 413 CD GLN A 48 5.950 0.709 11.405 1.00 0.00 C ATOM 414 OE1 GLN A 48 7.183 0.700 11.379 1.00 0.00 O ATOM 415 NE2 GLN A 48 5.270 1.083 12.484 1.00 0.00 N ATOM 0 H GLN A 48 4.387 2.992 7.338 1.00 0.00 H new ATOM 0 HA GLN A 48 4.312 0.196 7.494 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.767 1.819 8.819 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.360 2.246 9.772 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.193 -0.165 10.521 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.675 -0.504 9.650 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.250 1.079 12.471 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.768 1.375 13.325 1.00 0.00 H new ATOM 424 N GLN A 49 1.657 1.720 8.727 1.00 0.00 N ATOM 425 CA GLN A 49 0.264 1.558 9.187 1.00 0.00 C ATOM 426 C GLN A 49 -0.699 1.367 7.996 1.00 0.00 C ATOM 427 O GLN A 49 -1.723 0.676 8.103 1.00 0.00 O ATOM 428 CB GLN A 49 -0.147 2.803 10.018 1.00 0.00 C ATOM 429 CG GLN A 49 0.660 3.004 11.317 1.00 0.00 C ATOM 430 CD GLN A 49 0.367 4.340 12.016 1.00 0.00 C ATOM 431 OE1 GLN A 49 0.072 5.344 11.373 1.00 0.00 O ATOM 432 NE2 GLN A 49 0.428 4.361 13.335 1.00 0.00 N ATOM 0 H GLN A 49 1.917 2.690 8.550 1.00 0.00 H new ATOM 0 HA GLN A 49 0.201 0.665 9.808 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.036 3.691 9.396 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.204 2.721 10.272 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.439 2.187 12.004 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.724 2.948 11.087 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.675 3.515 13.848 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.228 5.224 13.841 1.00 0.00 H new ATOM 441 N PHE A 50 -0.338 1.977 6.860 1.00 0.00 N ATOM 442 CA PHE A 50 -1.212 2.090 5.681 1.00 0.00 C ATOM 443 C PHE A 50 -1.330 0.747 4.934 1.00 0.00 C ATOM 444 O PHE A 50 -2.425 0.370 4.512 1.00 0.00 O ATOM 445 CB PHE A 50 -0.675 3.206 4.749 1.00 0.00 C ATOM 446 CG PHE A 50 -1.589 3.561 3.580 1.00 0.00 C ATOM 447 CD1 PHE A 50 -2.691 4.388 3.760 1.00 0.00 C ATOM 448 CD2 PHE A 50 -1.345 3.066 2.307 1.00 0.00 C ATOM 449 CE1 PHE A 50 -3.516 4.708 2.700 1.00 0.00 C ATOM 450 CE2 PHE A 50 -2.170 3.386 1.251 1.00 0.00 C ATOM 451 CZ PHE A 50 -3.255 4.209 1.447 1.00 0.00 C ATOM 0 H PHE A 50 0.576 2.410 6.730 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.216 2.355 6.012 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.503 4.104 5.343 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.292 2.895 4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.905 4.785 4.741 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.495 2.420 2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.369 5.352 2.856 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.965 2.990 0.267 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.900 4.462 0.618 1.00 0.00 H new ATOM 461 N LYS A 51 -0.195 0.027 4.777 1.00 0.00 N ATOM 462 CA LYS A 51 -0.170 -1.276 4.069 1.00 0.00 C ATOM 463 C LYS A 51 -0.853 -2.382 4.908 1.00 0.00 C ATOM 464 O LYS A 51 -1.190 -3.439 4.386 1.00 0.00 O ATOM 465 CB LYS A 51 1.276 -1.685 3.610 1.00 0.00 C ATOM 466 CG LYS A 51 2.114 -2.559 4.580 1.00 0.00 C ATOM 467 CD LYS A 51 2.440 -1.887 5.931 1.00 0.00 C ATOM 468 CE LYS A 51 3.419 -2.707 6.784 1.00 0.00 C ATOM 469 NZ LYS A 51 4.706 -2.953 6.084 1.00 0.00 N ATOM 0 H LYS A 51 0.714 0.325 5.130 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.751 -1.155 3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.190 -2.220 2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.837 -0.772 3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.574 -3.486 4.771 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.049 -2.830 4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.864 -0.900 5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.516 -1.738 6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.611 -2.181 7.719 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.961 -3.661 7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.422 -3.262 6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.574 -3.693 5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.024 -2.076 5.624 1.00 0.00 H new ATOM 483 N GLU A 52 -1.022 -2.126 6.220 1.00 0.00 N ATOM 484 CA GLU A 52 -1.782 -3.013 7.124 1.00 0.00 C ATOM 485 C GLU A 52 -3.290 -2.881 6.851 1.00 0.00 C ATOM 486 O GLU A 52 -4.037 -3.865 6.935 1.00 0.00 O ATOM 487 CB GLU A 52 -1.457 -2.694 8.601 1.00 0.00 C ATOM 488 CG GLU A 52 0.038 -2.820 8.952 1.00 0.00 C ATOM 489 CD GLU A 52 0.350 -2.563 10.436 1.00 0.00 C ATOM 490 OE1 GLU A 52 -0.025 -1.490 10.955 1.00 0.00 O ATOM 491 OE2 GLU A 52 0.992 -3.422 11.083 1.00 0.00 O ATOM 0 H GLU A 52 -0.637 -1.302 6.682 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.487 -4.045 6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.789 -1.680 8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.029 -3.365 9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.381 -3.820 8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.605 -2.116 8.344 1.00 0.00 H new ATOM 498 N GLU A 53 -3.712 -1.645 6.518 1.00 0.00 N ATOM 499 CA GLU A 53 -5.071 -1.367 6.029 1.00 0.00 C ATOM 500 C GLU A 53 -5.291 -2.033 4.662 1.00 0.00 C ATOM 501 O GLU A 53 -6.347 -2.603 4.410 1.00 0.00 O ATOM 502 CB GLU A 53 -5.327 0.164 5.939 1.00 0.00 C ATOM 503 CG GLU A 53 -5.354 0.883 7.295 1.00 0.00 C ATOM 504 CD GLU A 53 -6.492 0.380 8.208 1.00 0.00 C ATOM 505 OE1 GLU A 53 -7.643 0.831 8.038 1.00 0.00 O ATOM 506 OE2 GLU A 53 -6.243 -0.484 9.078 1.00 0.00 O ATOM 0 H GLU A 53 -3.121 -0.816 6.581 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.783 -1.786 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.552 0.614 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.278 0.332 5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.398 0.739 7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.470 1.955 7.132 1.00 0.00 H new ATOM 513 N ILE A 54 -4.265 -1.957 3.799 1.00 0.00 N ATOM 514 CA ILE A 54 -4.262 -2.625 2.484 1.00 0.00 C ATOM 515 C ILE A 54 -4.351 -4.166 2.642 1.00 0.00 C ATOM 516 O ILE A 54 -5.028 -4.843 1.861 1.00 0.00 O ATOM 517 CB ILE A 54 -2.968 -2.243 1.675 1.00 0.00 C ATOM 518 CG1 ILE A 54 -2.883 -0.705 1.401 1.00 0.00 C ATOM 519 CG2 ILE A 54 -2.870 -3.033 0.362 1.00 0.00 C ATOM 520 CD1 ILE A 54 -1.633 -0.259 0.649 1.00 0.00 C ATOM 0 H ILE A 54 -3.413 -1.431 3.992 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.139 -2.283 1.934 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.117 -2.516 2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.761 -0.402 0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.925 -0.177 2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.964 -2.743 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.836 -4.100 0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.740 -2.817 -0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.661 0.821 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.747 -0.525 1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.596 -0.754 -0.322 1.00 0.00 H new ATOM 532 N SER A 55 -3.670 -4.694 3.677 1.00 0.00 N ATOM 533 CA SER A 55 -3.574 -6.147 3.934 1.00 0.00 C ATOM 534 C SER A 55 -4.954 -6.781 4.170 1.00 0.00 C ATOM 535 O SER A 55 -5.243 -7.870 3.670 1.00 0.00 O ATOM 536 CB SER A 55 -2.641 -6.417 5.138 1.00 0.00 C ATOM 537 OG SER A 55 -2.458 -7.807 5.373 1.00 0.00 O ATOM 0 H SER A 55 -3.170 -4.126 4.360 1.00 0.00 H new ATOM 0 HA SER A 55 -3.151 -6.612 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.673 -5.950 4.957 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.058 -5.951 6.031 1.00 0.00 H new ATOM 0 HG SER A 55 -2.233 -8.254 4.531 1.00 0.00 H new ATOM 543 N LYS A 56 -5.797 -6.073 4.930 1.00 0.00 N ATOM 544 CA LYS A 56 -7.142 -6.546 5.303 1.00 0.00 C ATOM 545 C LYS A 56 -8.192 -6.223 4.210 1.00 0.00 C ATOM 546 O LYS A 56 -9.346 -6.653 4.311 1.00 0.00 O ATOM 547 CB LYS A 56 -7.526 -5.934 6.676 1.00 0.00 C ATOM 548 CG LYS A 56 -7.588 -4.390 6.701 1.00 0.00 C ATOM 549 CD LYS A 56 -7.635 -3.796 8.131 1.00 0.00 C ATOM 550 CE LYS A 56 -8.873 -4.231 8.929 1.00 0.00 C ATOM 551 NZ LYS A 56 -10.143 -3.831 8.269 1.00 0.00 N ATOM 0 H LYS A 56 -5.568 -5.153 5.306 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.127 -7.632 5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.497 -6.328 6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.804 -6.267 7.422 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.718 -3.991 6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.469 -4.061 6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.738 -4.098 8.672 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.617 -2.708 8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.858 -5.314 9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.831 -3.793 9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.945 -4.071 8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.135 -2.806 8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.238 -4.336 7.365 1.00 0.00 H new ATOM 565 N ARG A 57 -7.794 -5.441 3.183 1.00 0.00 N ATOM 566 CA ARG A 57 -8.630 -5.194 1.991 1.00 0.00 C ATOM 567 C ARG A 57 -8.402 -6.324 0.963 1.00 0.00 C ATOM 568 O ARG A 57 -9.282 -7.158 0.716 1.00 0.00 O ATOM 569 CB ARG A 57 -8.278 -3.829 1.331 1.00 0.00 C ATOM 570 CG ARG A 57 -8.516 -2.576 2.186 1.00 0.00 C ATOM 571 CD ARG A 57 -9.989 -2.206 2.380 1.00 0.00 C ATOM 572 NE ARG A 57 -10.105 -0.860 2.983 1.00 0.00 N ATOM 573 CZ ARG A 57 -10.477 0.260 2.336 1.00 0.00 C ATOM 574 NH1 ARG A 57 -10.941 0.214 1.094 1.00 0.00 N ATOM 575 NH2 ARG A 57 -10.399 1.427 2.953 1.00 0.00 N ATOM 0 H ARG A 57 -6.891 -4.967 3.158 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.674 -5.170 2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.227 -3.850 1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.860 -3.733 0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.062 -2.729 3.165 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.001 -1.734 1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.506 -2.228 1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.475 -2.942 3.021 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.884 -0.773 3.975 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.021 -0.682 0.612 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.218 1.074 0.621 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.059 1.474 3.913 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.679 2.280 2.469 1.00 0.00 H new ATOM 589 N PHE A 58 -7.170 -6.353 0.418 1.00 0.00 N ATOM 590 CA PHE A 58 -6.772 -7.231 -0.703 1.00 0.00 C ATOM 591 C PHE A 58 -6.456 -8.658 -0.227 1.00 0.00 C ATOM 592 O PHE A 58 -6.169 -9.528 -1.062 1.00 0.00 O ATOM 593 CB PHE A 58 -5.540 -6.633 -1.435 1.00 0.00 C ATOM 594 CG PHE A 58 -5.798 -5.271 -2.085 1.00 0.00 C ATOM 595 CD1 PHE A 58 -5.718 -4.093 -1.342 1.00 0.00 C ATOM 596 CD2 PHE A 58 -6.107 -5.168 -3.438 1.00 0.00 C ATOM 597 CE1 PHE A 58 -5.946 -2.861 -1.926 1.00 0.00 C ATOM 598 CE2 PHE A 58 -6.336 -3.938 -4.020 1.00 0.00 C ATOM 599 CZ PHE A 58 -6.249 -2.784 -3.269 1.00 0.00 C ATOM 0 H PHE A 58 -6.410 -5.758 0.749 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.615 -7.289 -1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.721 -6.534 -0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.212 -7.334 -2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.473 -4.145 -0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.168 -6.062 -4.040 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.887 -1.961 -1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.585 -3.878 -5.069 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.418 -1.823 -3.732 1.00 0.00 H new ATOM 609 N LYS A 59 -6.480 -8.872 1.113 1.00 0.00 N ATOM 610 CA LYS A 59 -6.208 -10.182 1.760 1.00 0.00 C ATOM 611 C LYS A 59 -4.798 -10.682 1.388 1.00 0.00 C ATOM 612 O LYS A 59 -4.539 -11.883 1.280 1.00 0.00 O ATOM 613 CB LYS A 59 -7.323 -11.218 1.416 1.00 0.00 C ATOM 614 CG LYS A 59 -8.771 -10.694 1.585 1.00 0.00 C ATOM 615 CD LYS A 59 -9.063 -10.126 2.991 1.00 0.00 C ATOM 616 CE LYS A 59 -10.490 -9.568 3.122 1.00 0.00 C ATOM 617 NZ LYS A 59 -11.522 -10.611 2.887 1.00 0.00 N ATOM 0 H LYS A 59 -6.691 -8.132 1.782 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.229 -10.053 2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.189 -11.547 0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.193 -12.095 2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.956 -9.917 0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.469 -11.506 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.915 -10.910 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.346 -9.336 3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.623 -9.145 4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.628 -8.755 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.463 -10.223 3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.490 -10.913 1.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.337 -11.428 3.503 1.00 0.00 H new ATOM 631 N SER A 60 -3.891 -9.711 1.241 1.00 0.00 N ATOM 632 CA SER A 60 -2.503 -9.921 0.816 1.00 0.00 C ATOM 633 C SER A 60 -1.576 -9.440 1.941 1.00 0.00 C ATOM 634 O SER A 60 -1.845 -8.405 2.546 1.00 0.00 O ATOM 635 CB SER A 60 -2.260 -9.136 -0.486 1.00 0.00 C ATOM 636 OG SER A 60 -3.186 -9.505 -1.502 1.00 0.00 O ATOM 0 H SER A 60 -4.108 -8.730 1.419 1.00 0.00 H new ATOM 0 HA SER A 60 -2.302 -10.975 0.623 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.343 -8.067 -0.288 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.244 -9.317 -0.836 1.00 0.00 H new ATOM 0 HG SER A 60 -4.097 -9.295 -1.207 1.00 0.00 H new ATOM 642 N HIS A 61 -0.502 -10.194 2.219 1.00 0.00 N ATOM 643 CA HIS A 61 0.370 -9.960 3.391 1.00 0.00 C ATOM 644 C HIS A 61 1.149 -8.623 3.300 1.00 0.00 C ATOM 645 O HIS A 61 1.677 -8.280 2.237 1.00 0.00 O ATOM 646 CB HIS A 61 1.342 -11.151 3.579 1.00 0.00 C ATOM 647 CG HIS A 61 2.106 -11.109 4.877 1.00 0.00 C ATOM 648 ND1 HIS A 61 1.530 -11.421 6.086 1.00 0.00 N ATOM 649 CD2 HIS A 61 3.382 -10.743 5.158 1.00 0.00 C ATOM 650 CE1 HIS A 61 2.410 -11.250 7.048 1.00 0.00 C ATOM 651 NE2 HIS A 61 3.540 -10.841 6.511 1.00 0.00 N ATOM 0 H HIS A 61 -0.210 -10.983 1.642 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.277 -9.883 4.264 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.776 -12.082 3.530 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.050 -11.165 2.751 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.132 -10.432 4.446 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.235 -11.417 8.101 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.397 -10.631 7.023 1.00 0.00 H new ATOM 660 N THR A 62 1.249 -7.940 4.468 1.00 0.00 N ATOM 661 CA THR A 62 1.803 -6.576 4.629 1.00 0.00 C ATOM 662 C THR A 62 3.174 -6.371 3.949 1.00 0.00 C ATOM 663 O THR A 62 3.364 -5.406 3.202 1.00 0.00 O ATOM 664 CB THR A 62 1.927 -6.237 6.154 1.00 0.00 C ATOM 665 OG1 THR A 62 2.577 -7.323 6.842 1.00 0.00 O ATOM 666 CG2 THR A 62 0.560 -5.964 6.798 1.00 0.00 C ATOM 0 H THR A 62 0.935 -8.339 5.353 1.00 0.00 H new ATOM 0 HA THR A 62 1.105 -5.903 4.130 1.00 0.00 H new ATOM 0 HB THR A 62 2.522 -5.328 6.241 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.654 -7.107 7.795 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.695 -5.734 7.855 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.086 -5.118 6.300 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.072 -6.846 6.697 1.00 0.00 H new ATOM 674 N ASP A 63 4.110 -7.292 4.220 1.00 0.00 N ATOM 675 CA ASP A 63 5.508 -7.200 3.747 1.00 0.00 C ATOM 676 C ASP A 63 5.621 -7.210 2.212 1.00 0.00 C ATOM 677 O ASP A 63 6.541 -6.610 1.657 1.00 0.00 O ATOM 678 CB ASP A 63 6.351 -8.351 4.352 1.00 0.00 C ATOM 679 CG ASP A 63 6.511 -8.220 5.875 1.00 0.00 C ATOM 680 OD1 ASP A 63 7.456 -7.539 6.326 1.00 0.00 O ATOM 681 OD2 ASP A 63 5.672 -8.765 6.628 1.00 0.00 O ATOM 0 H ASP A 63 3.923 -8.127 4.775 1.00 0.00 H new ATOM 0 HA ASP A 63 5.896 -6.240 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.878 -9.305 4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.336 -8.361 3.885 1.00 0.00 H new ATOM 686 N GLN A 64 4.685 -7.880 1.523 1.00 0.00 N ATOM 687 CA GLN A 64 4.734 -8.013 0.046 1.00 0.00 C ATOM 688 C GLN A 64 3.914 -6.921 -0.669 1.00 0.00 C ATOM 689 O GLN A 64 3.837 -6.895 -1.901 1.00 0.00 O ATOM 690 CB GLN A 64 4.279 -9.429 -0.376 1.00 0.00 C ATOM 691 CG GLN A 64 5.164 -10.558 0.190 1.00 0.00 C ATOM 692 CD GLN A 64 4.951 -11.916 -0.482 1.00 0.00 C ATOM 693 OE1 GLN A 64 5.614 -12.236 -1.466 1.00 0.00 O ATOM 694 NE2 GLN A 64 4.038 -12.722 0.045 1.00 0.00 N ATOM 0 H GLN A 64 3.884 -8.339 1.957 1.00 0.00 H new ATOM 0 HA GLN A 64 5.769 -7.871 -0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.252 -9.584 -0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.277 -9.491 -1.464 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.211 -10.272 0.084 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.968 -10.658 1.257 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.506 -12.424 0.862 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.869 -13.639 -0.367 1.00 0.00 H new ATOM 703 N LEU A 65 3.304 -6.027 0.119 1.00 0.00 N ATOM 704 CA LEU A 65 2.556 -4.866 -0.391 1.00 0.00 C ATOM 705 C LEU A 65 3.496 -3.660 -0.513 1.00 0.00 C ATOM 706 O LEU A 65 3.754 -2.963 0.481 1.00 0.00 O ATOM 707 CB LEU A 65 1.385 -4.545 0.576 1.00 0.00 C ATOM 708 CG LEU A 65 0.316 -5.664 0.725 1.00 0.00 C ATOM 709 CD1 LEU A 65 -0.607 -5.399 1.923 1.00 0.00 C ATOM 710 CD2 LEU A 65 -0.486 -5.831 -0.581 1.00 0.00 C ATOM 0 H LEU A 65 3.314 -6.088 1.137 1.00 0.00 H new ATOM 0 HA LEU A 65 2.150 -5.092 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.799 -4.328 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.890 -3.637 0.231 1.00 0.00 H new ATOM 0 HG LEU A 65 0.835 -6.602 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.343 -6.199 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.015 -5.362 2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.119 -4.447 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.228 -6.619 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.989 -4.894 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.191 -6.098 -1.392 1.00 0.00 H new ATOM 722 N VAL A 66 4.037 -3.432 -1.720 1.00 0.00 N ATOM 723 CA VAL A 66 4.899 -2.265 -1.989 1.00 0.00 C ATOM 724 C VAL A 66 4.120 -1.220 -2.801 1.00 0.00 C ATOM 725 O VAL A 66 3.625 -1.488 -3.901 1.00 0.00 O ATOM 726 CB VAL A 66 6.266 -2.642 -2.699 1.00 0.00 C ATOM 727 CG1 VAL A 66 7.174 -3.466 -1.749 1.00 0.00 C ATOM 728 CG2 VAL A 66 6.056 -3.382 -4.045 1.00 0.00 C ATOM 0 H VAL A 66 3.894 -4.039 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 66 5.178 -1.842 -1.024 1.00 0.00 H new ATOM 0 HB VAL A 66 6.768 -1.703 -2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.105 -3.712 -2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.393 -2.880 -0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.663 -4.385 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.025 -3.616 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.505 -4.306 -3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.491 -2.746 -4.726 1.00 0.00 H new ATOM 738 N LEU A 67 3.962 -0.038 -2.206 1.00 0.00 N ATOM 739 CA LEU A 67 3.456 1.148 -2.898 1.00 0.00 C ATOM 740 C LEU A 67 4.621 1.789 -3.640 1.00 0.00 C ATOM 741 O LEU A 67 5.755 1.710 -3.186 1.00 0.00 O ATOM 742 CB LEU A 67 2.883 2.149 -1.878 1.00 0.00 C ATOM 743 CG LEU A 67 1.642 1.682 -1.071 1.00 0.00 C ATOM 744 CD1 LEU A 67 1.301 2.702 0.027 1.00 0.00 C ATOM 745 CD2 LEU A 67 0.427 1.442 -2.000 1.00 0.00 C ATOM 0 H LEU A 67 4.183 0.125 -1.224 1.00 0.00 H new ATOM 0 HA LEU A 67 2.664 0.869 -3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.672 2.406 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.620 3.064 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 67 1.885 0.732 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.429 2.360 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.148 2.803 0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.084 3.668 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.427 1.116 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.176 2.368 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.675 0.673 -2.732 1.00 0.00 H new ATOM 757 N ILE A 68 4.352 2.384 -4.804 1.00 0.00 N ATOM 758 CA ILE A 68 5.351 3.149 -5.564 1.00 0.00 C ATOM 759 C ILE A 68 4.807 4.557 -5.784 1.00 0.00 C ATOM 760 O ILE A 68 3.685 4.733 -6.302 1.00 0.00 O ATOM 761 CB ILE A 68 5.751 2.498 -6.953 1.00 0.00 C ATOM 762 CG1 ILE A 68 6.423 1.088 -6.772 1.00 0.00 C ATOM 763 CG2 ILE A 68 6.691 3.448 -7.763 1.00 0.00 C ATOM 764 CD1 ILE A 68 5.471 -0.077 -6.509 1.00 0.00 C ATOM 0 H ILE A 68 3.435 2.351 -5.249 1.00 0.00 H new ATOM 0 HA ILE A 68 6.268 3.158 -4.975 1.00 0.00 H new ATOM 0 HB ILE A 68 4.828 2.353 -7.515 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.000 0.865 -7.669 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.130 1.148 -5.945 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.952 2.979 -8.712 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.179 4.391 -7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.599 3.637 -7.190 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.044 -0.998 -6.401 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.910 0.111 -5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.778 -0.177 -7.345 1.00 0.00 H new ATOM 776 N PHE A 69 5.621 5.532 -5.379 1.00 0.00 N ATOM 777 CA PHE A 69 5.315 6.963 -5.496 1.00 0.00 C ATOM 778 C PHE A 69 6.616 7.751 -5.251 1.00 0.00 C ATOM 779 O PHE A 69 7.480 7.298 -4.480 1.00 0.00 O ATOM 780 CB PHE A 69 4.200 7.380 -4.487 1.00 0.00 C ATOM 781 CG PHE A 69 3.373 8.592 -4.925 1.00 0.00 C ATOM 782 CD1 PHE A 69 3.789 9.898 -4.655 1.00 0.00 C ATOM 783 CD2 PHE A 69 2.157 8.416 -5.597 1.00 0.00 C ATOM 784 CE1 PHE A 69 3.026 10.983 -5.054 1.00 0.00 C ATOM 785 CE2 PHE A 69 1.398 9.502 -5.992 1.00 0.00 C ATOM 786 CZ PHE A 69 1.828 10.786 -5.712 1.00 0.00 C ATOM 0 H PHE A 69 6.529 5.349 -4.952 1.00 0.00 H new ATOM 0 HA PHE A 69 4.934 7.184 -6.493 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.530 6.534 -4.334 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.661 7.599 -3.524 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.717 10.064 -4.128 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.807 7.417 -5.810 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.369 11.986 -4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.468 9.347 -6.520 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.228 11.634 -6.008 1.00 0.00 H new ATOM 796 N ALA A 70 6.749 8.905 -5.934 1.00 0.00 N ATOM 797 CA ALA A 70 7.948 9.776 -5.874 1.00 0.00 C ATOM 798 C ALA A 70 9.202 9.064 -6.438 1.00 0.00 C ATOM 799 O ALA A 70 10.344 9.437 -6.129 1.00 0.00 O ATOM 800 CB ALA A 70 8.177 10.305 -4.440 1.00 0.00 C ATOM 0 H ALA A 70 6.021 9.266 -6.551 1.00 0.00 H new ATOM 0 HA ALA A 70 7.765 10.639 -6.514 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.062 10.941 -4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.309 10.883 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.321 9.465 -3.761 1.00 0.00 H new ATOM 806 N GLY A 71 8.960 8.041 -7.282 1.00 0.00 N ATOM 807 CA GLY A 71 10.016 7.306 -7.979 1.00 0.00 C ATOM 808 C GLY A 71 10.625 6.167 -7.159 1.00 0.00 C ATOM 809 O GLY A 71 11.580 5.529 -7.615 1.00 0.00 O ATOM 0 H GLY A 71 8.020 7.706 -7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.610 6.897 -8.905 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.807 8.003 -8.258 1.00 0.00 H new ATOM 813 N LYS A 72 10.084 5.902 -5.955 1.00 0.00 N ATOM 814 CA LYS A 72 10.621 4.870 -5.032 1.00 0.00 C ATOM 815 C LYS A 72 9.476 4.042 -4.428 1.00 0.00 C ATOM 816 O LYS A 72 8.323 4.493 -4.401 1.00 0.00 O ATOM 817 CB LYS A 72 11.517 5.538 -3.928 1.00 0.00 C ATOM 818 CG LYS A 72 10.905 6.773 -3.192 1.00 0.00 C ATOM 819 CD LYS A 72 9.907 6.413 -2.049 1.00 0.00 C ATOM 820 CE LYS A 72 10.568 5.771 -0.822 1.00 0.00 C ATOM 821 NZ LYS A 72 11.457 6.703 -0.096 1.00 0.00 N ATOM 0 H LYS A 72 9.266 6.391 -5.591 1.00 0.00 H new ATOM 0 HA LYS A 72 11.255 4.183 -5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.761 4.782 -3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.456 5.845 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.716 7.370 -2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.392 7.398 -3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.387 7.318 -1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.152 5.731 -2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.794 5.412 -0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.143 4.900 -1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.384 6.256 0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.576 7.574 -0.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.037 6.936 0.826 1.00 0.00 H new ATOM 835 N ILE A 73 9.809 2.823 -3.952 1.00 0.00 N ATOM 836 CA ILE A 73 8.862 1.994 -3.189 1.00 0.00 C ATOM 837 C ILE A 73 8.732 2.567 -1.756 1.00 0.00 C ATOM 838 O ILE A 73 9.729 2.701 -1.032 1.00 0.00 O ATOM 839 CB ILE A 73 9.212 0.441 -3.176 1.00 0.00 C ATOM 840 CG1 ILE A 73 10.471 0.067 -2.311 1.00 0.00 C ATOM 841 CG2 ILE A 73 9.370 -0.089 -4.619 1.00 0.00 C ATOM 842 CD1 ILE A 73 11.808 0.582 -2.820 1.00 0.00 C ATOM 0 H ILE A 73 10.725 2.395 -4.084 1.00 0.00 H new ATOM 0 HA ILE A 73 7.901 2.046 -3.701 1.00 0.00 H new ATOM 0 HB ILE A 73 8.367 -0.047 -2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.319 0.447 -1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 73 10.527 -1.019 -2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 73 9.609 -1.152 -4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.439 0.060 -5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.174 0.451 -5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.602 0.263 -2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 73 11.997 0.182 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 73 11.785 1.671 -2.865 1.00 0.00 H new ATOM 854 N LEU A 74 7.507 2.980 -1.397 1.00 0.00 N ATOM 855 CA LEU A 74 7.189 3.550 -0.084 1.00 0.00 C ATOM 856 C LEU A 74 7.397 2.491 1.012 1.00 0.00 C ATOM 857 O LEU A 74 6.765 1.420 0.984 1.00 0.00 O ATOM 858 CB LEU A 74 5.728 4.076 -0.060 1.00 0.00 C ATOM 859 CG LEU A 74 5.322 5.098 -1.172 1.00 0.00 C ATOM 860 CD1 LEU A 74 3.881 5.618 -0.952 1.00 0.00 C ATOM 861 CD2 LEU A 74 6.330 6.262 -1.276 1.00 0.00 C ATOM 0 H LEU A 74 6.701 2.926 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 74 7.858 4.389 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.058 3.219 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.552 4.543 0.909 1.00 0.00 H new ATOM 0 HG LEU A 74 5.344 4.569 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.626 6.327 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.184 4.780 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.817 6.114 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.012 6.950 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.374 6.792 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.317 5.868 -1.518 1.00 0.00 H new ATOM 873 N LYS A 75 8.312 2.785 1.943 1.00 0.00 N ATOM 874 CA LYS A 75 8.671 1.873 3.034 1.00 0.00 C ATOM 875 C LYS A 75 7.936 2.251 4.323 1.00 0.00 C ATOM 876 O LYS A 75 7.267 3.282 4.401 1.00 0.00 O ATOM 877 CB LYS A 75 10.211 1.894 3.261 1.00 0.00 C ATOM 878 CG LYS A 75 11.049 1.511 2.022 1.00 0.00 C ATOM 879 CD LYS A 75 10.796 0.070 1.495 1.00 0.00 C ATOM 880 CE LYS A 75 11.420 -1.046 2.369 1.00 0.00 C ATOM 881 NZ LYS A 75 10.831 -1.145 3.734 1.00 0.00 N ATOM 0 H LYS A 75 8.826 3.666 1.960 1.00 0.00 H new ATOM 0 HA LYS A 75 8.368 0.864 2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.503 2.892 3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.455 1.210 4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.837 2.220 1.222 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.106 1.615 2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.721 -0.096 1.427 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.195 -0.010 0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.298 -2.003 1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.492 -0.867 2.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.759 -2.145 4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.439 -0.643 4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.883 -0.716 3.735 1.00 0.00 H new ATOM 895 N ASP A 76 8.081 1.380 5.325 1.00 0.00 N ATOM 896 CA ASP A 76 7.610 1.603 6.709 1.00 0.00 C ATOM 897 C ASP A 76 8.187 2.897 7.326 1.00 0.00 C ATOM 898 O ASP A 76 7.537 3.532 8.159 1.00 0.00 O ATOM 899 CB ASP A 76 7.984 0.377 7.589 1.00 0.00 C ATOM 900 CG ASP A 76 9.465 -0.013 7.471 1.00 0.00 C ATOM 901 OD1 ASP A 76 9.816 -0.746 6.514 1.00 0.00 O ATOM 902 OD2 ASP A 76 10.289 0.433 8.299 1.00 0.00 O ATOM 0 H ASP A 76 8.539 0.477 5.201 1.00 0.00 H new ATOM 0 HA ASP A 76 6.527 1.721 6.675 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.754 0.600 8.631 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.365 -0.473 7.301 1.00 0.00 H new ATOM 907 N GLN A 77 9.409 3.268 6.894 1.00 0.00 N ATOM 908 CA GLN A 77 10.109 4.485 7.356 1.00 0.00 C ATOM 909 C GLN A 77 9.609 5.762 6.641 1.00 0.00 C ATOM 910 O GLN A 77 10.031 6.866 6.982 1.00 0.00 O ATOM 911 CB GLN A 77 11.637 4.312 7.160 1.00 0.00 C ATOM 912 CG GLN A 77 12.101 4.083 5.712 1.00 0.00 C ATOM 913 CD GLN A 77 13.621 3.923 5.606 1.00 0.00 C ATOM 914 OE1 GLN A 77 14.152 2.822 5.742 1.00 0.00 O ATOM 915 NE2 GLN A 77 14.335 5.010 5.358 1.00 0.00 N ATOM 0 H GLN A 77 9.941 2.729 6.211 1.00 0.00 H new ATOM 0 HA GLN A 77 9.887 4.613 8.415 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.137 5.200 7.546 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.970 3.469 7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.616 3.192 5.314 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.782 4.922 5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.870 5.912 5.249 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.350 4.946 5.276 1.00 0.00 H new ATOM 924 N ASP A 78 8.708 5.592 5.659 1.00 0.00 N ATOM 925 CA ASP A 78 8.065 6.695 4.906 1.00 0.00 C ATOM 926 C ASP A 78 6.602 6.835 5.345 1.00 0.00 C ATOM 927 O ASP A 78 5.991 5.868 5.829 1.00 0.00 O ATOM 928 CB ASP A 78 8.102 6.408 3.377 1.00 0.00 C ATOM 929 CG ASP A 78 9.528 6.312 2.812 1.00 0.00 C ATOM 930 OD1 ASP A 78 10.088 7.350 2.411 1.00 0.00 O ATOM 931 OD2 ASP A 78 10.090 5.200 2.756 1.00 0.00 O ATOM 0 H ASP A 78 8.397 4.669 5.357 1.00 0.00 H new ATOM 0 HA ASP A 78 8.611 7.616 5.113 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.575 5.475 3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.563 7.197 2.853 1.00 0.00 H new ATOM 936 N THR A 79 6.044 8.044 5.178 1.00 0.00 N ATOM 937 CA THR A 79 4.591 8.275 5.233 1.00 0.00 C ATOM 938 C THR A 79 4.134 8.662 3.824 1.00 0.00 C ATOM 939 O THR A 79 4.873 9.332 3.097 1.00 0.00 O ATOM 940 CB THR A 79 4.191 9.398 6.256 1.00 0.00 C ATOM 941 OG1 THR A 79 4.714 10.669 5.845 1.00 0.00 O ATOM 942 CG2 THR A 79 4.682 9.092 7.678 1.00 0.00 C ATOM 0 H THR A 79 6.587 8.889 5.001 1.00 0.00 H new ATOM 0 HA THR A 79 4.103 7.363 5.578 1.00 0.00 H new ATOM 0 HB THR A 79 3.102 9.431 6.269 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.453 11.355 6.494 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.381 9.897 8.348 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.245 8.153 8.020 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.769 9.008 7.677 1.00 0.00 H new ATOM 950 N LEU A 80 2.941 8.203 3.429 1.00 0.00 N ATOM 951 CA LEU A 80 2.351 8.527 2.115 1.00 0.00 C ATOM 952 C LEU A 80 2.199 10.057 1.926 1.00 0.00 C ATOM 953 O LEU A 80 2.560 10.603 0.873 1.00 0.00 O ATOM 954 CB LEU A 80 0.986 7.797 1.891 1.00 0.00 C ATOM 955 CG LEU A 80 -0.205 8.106 2.874 1.00 0.00 C ATOM 956 CD1 LEU A 80 -1.553 7.698 2.250 1.00 0.00 C ATOM 957 CD2 LEU A 80 -0.037 7.419 4.248 1.00 0.00 C ATOM 0 H LEU A 80 2.355 7.598 4.005 1.00 0.00 H new ATOM 0 HA LEU A 80 3.044 8.161 1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.649 8.028 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.175 6.724 1.927 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.193 9.183 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.360 7.921 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.709 8.254 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.546 6.630 2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.886 7.667 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.011 6.339 4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.883 7.766 4.718 1.00 0.00 H new ATOM 969 N SER A 81 1.721 10.727 2.988 1.00 0.00 N ATOM 970 CA SER A 81 1.447 12.176 3.001 1.00 0.00 C ATOM 971 C SER A 81 2.740 13.013 2.805 1.00 0.00 C ATOM 972 O SER A 81 2.687 14.106 2.229 1.00 0.00 O ATOM 973 CB SER A 81 0.728 12.537 4.325 1.00 0.00 C ATOM 974 OG SER A 81 0.430 13.920 4.411 1.00 0.00 O ATOM 0 H SER A 81 1.510 10.271 3.876 1.00 0.00 H new ATOM 0 HA SER A 81 0.799 12.422 2.160 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.195 11.962 4.404 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.356 12.249 5.168 1.00 0.00 H new ATOM 0 HG SER A 81 -0.024 14.105 5.260 1.00 0.00 H new ATOM 980 N GLN A 82 3.895 12.470 3.267 1.00 0.00 N ATOM 981 CA GLN A 82 5.242 13.052 3.007 1.00 0.00 C ATOM 982 C GLN A 82 5.499 13.211 1.493 1.00 0.00 C ATOM 983 O GLN A 82 5.998 14.245 1.040 1.00 0.00 O ATOM 984 CB GLN A 82 6.351 12.152 3.641 1.00 0.00 C ATOM 985 CG GLN A 82 7.767 12.299 3.041 1.00 0.00 C ATOM 986 CD GLN A 82 8.799 11.383 3.687 1.00 0.00 C ATOM 987 OE1 GLN A 82 8.955 10.228 3.284 1.00 0.00 O ATOM 988 NE2 GLN A 82 9.520 11.894 4.675 1.00 0.00 N ATOM 0 H GLN A 82 3.922 11.619 3.829 1.00 0.00 H new ATOM 0 HA GLN A 82 5.274 14.040 3.465 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.405 12.373 4.707 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.044 11.110 3.546 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.724 12.088 1.972 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.093 13.334 3.149 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.360 12.854 4.979 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.235 11.327 5.131 1.00 0.00 H new ATOM 997 N HIS A 83 5.126 12.179 0.718 1.00 0.00 N ATOM 998 CA HIS A 83 5.414 12.115 -0.735 1.00 0.00 C ATOM 999 C HIS A 83 4.352 12.853 -1.571 1.00 0.00 C ATOM 1000 O HIS A 83 4.347 12.750 -2.797 1.00 0.00 O ATOM 1001 CB HIS A 83 5.564 10.635 -1.174 1.00 0.00 C ATOM 1002 CG HIS A 83 6.707 9.938 -0.484 1.00 0.00 C ATOM 1003 ND1 HIS A 83 8.002 9.981 -0.942 1.00 0.00 N ATOM 1004 CD2 HIS A 83 6.748 9.221 0.661 1.00 0.00 C ATOM 1005 CE1 HIS A 83 8.780 9.327 -0.112 1.00 0.00 C ATOM 1006 NE2 HIS A 83 8.047 8.857 0.872 1.00 0.00 N ATOM 0 H HIS A 83 4.619 11.368 1.073 1.00 0.00 H new ATOM 0 HA HIS A 83 6.356 12.632 -0.919 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.637 10.102 -0.962 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.716 10.594 -2.253 1.00 0.00 H new ATOM 0 HD1 HIS A 83 8.310 10.449 -1.794 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.907 8.980 1.294 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.847 9.197 -0.220 1.00 0.00 H new ATOM 1015 N GLY A 84 3.478 13.616 -0.889 1.00 0.00 N ATOM 1016 CA GLY A 84 2.498 14.482 -1.544 1.00 0.00 C ATOM 1017 C GLY A 84 1.159 13.812 -1.770 1.00 0.00 C ATOM 1018 O GLY A 84 0.303 14.365 -2.467 1.00 0.00 O ATOM 0 H GLY A 84 3.437 13.645 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.351 15.376 -0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.898 14.810 -2.503 1.00 0.00 H new ATOM 1022 N ILE A 85 0.955 12.636 -1.151 1.00 0.00 N ATOM 1023 CA ILE A 85 -0.283 11.865 -1.306 1.00 0.00 C ATOM 1024 C ILE A 85 -1.339 12.361 -0.299 1.00 0.00 C ATOM 1025 O ILE A 85 -1.115 12.324 0.914 1.00 0.00 O ATOM 1026 CB ILE A 85 -0.035 10.331 -1.107 1.00 0.00 C ATOM 1027 CG1 ILE A 85 1.143 9.841 -2.009 1.00 0.00 C ATOM 1028 CG2 ILE A 85 -1.323 9.525 -1.393 1.00 0.00 C ATOM 1029 CD1 ILE A 85 1.562 8.406 -1.768 1.00 0.00 C ATOM 0 H ILE A 85 1.640 12.199 -0.535 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.647 12.016 -2.322 1.00 0.00 H new ATOM 0 HB ILE A 85 0.243 10.162 -0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.854 9.951 -3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.003 10.490 -1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.127 8.463 -1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.111 9.845 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.640 9.699 -2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.384 8.150 -2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.885 8.290 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.718 7.743 -1.961 1.00 0.00 H new ATOM 1041 N HIS A 86 -2.481 12.820 -0.824 1.00 0.00 N ATOM 1042 CA HIS A 86 -3.592 13.353 -0.017 1.00 0.00 C ATOM 1043 C HIS A 86 -4.934 13.043 -0.707 1.00 0.00 C ATOM 1044 O HIS A 86 -4.994 12.178 -1.597 1.00 0.00 O ATOM 1045 CB HIS A 86 -3.395 14.882 0.231 1.00 0.00 C ATOM 1046 CG HIS A 86 -3.271 15.737 -1.011 1.00 0.00 C ATOM 1047 ND1 HIS A 86 -2.088 15.885 -1.701 1.00 0.00 N ATOM 1048 CD2 HIS A 86 -4.177 16.503 -1.668 1.00 0.00 C ATOM 1049 CE1 HIS A 86 -2.267 16.701 -2.718 1.00 0.00 C ATOM 1050 NE2 HIS A 86 -3.525 17.093 -2.720 1.00 0.00 N ATOM 0 H HIS A 86 -2.664 12.833 -1.827 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.603 12.868 0.959 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.237 15.248 0.819 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.499 15.021 0.836 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -1.207 15.431 -1.460 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.219 16.626 -1.410 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.511 16.999 -3.430 1.00 0.00 H new ATOM 1059 N ASP A 87 -5.998 13.723 -0.251 1.00 0.00 N ATOM 1060 CA ASP A 87 -7.349 13.642 -0.839 1.00 0.00 C ATOM 1061 C ASP A 87 -7.327 13.838 -2.376 1.00 0.00 C ATOM 1062 O ASP A 87 -6.792 14.842 -2.872 1.00 0.00 O ATOM 1063 CB ASP A 87 -8.258 14.710 -0.170 1.00 0.00 C ATOM 1064 CG ASP A 87 -9.661 14.827 -0.794 1.00 0.00 C ATOM 1065 OD1 ASP A 87 -10.535 14.018 -0.463 1.00 0.00 O ATOM 1066 OD2 ASP A 87 -9.893 15.735 -1.625 1.00 0.00 O ATOM 0 H ASP A 87 -5.945 14.354 0.548 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.745 12.644 -0.652 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.362 14.470 0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.764 15.680 -0.230 1.00 0.00 H new ATOM 1071 N GLY A 88 -7.878 12.854 -3.107 1.00 0.00 N ATOM 1072 CA GLY A 88 -8.062 12.954 -4.559 1.00 0.00 C ATOM 1073 C GLY A 88 -6.930 12.355 -5.377 1.00 0.00 C ATOM 1074 O GLY A 88 -6.963 12.425 -6.613 1.00 0.00 O ATOM 0 H GLY A 88 -8.205 11.974 -2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.993 12.456 -4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.172 14.005 -4.828 1.00 0.00 H new ATOM 1078 N LEU A 89 -5.915 11.776 -4.702 1.00 0.00 N ATOM 1079 CA LEU A 89 -4.783 11.099 -5.377 1.00 0.00 C ATOM 1080 C LEU A 89 -4.952 9.581 -5.356 1.00 0.00 C ATOM 1081 O LEU A 89 -5.793 9.029 -4.629 1.00 0.00 O ATOM 1082 CB LEU A 89 -3.409 11.485 -4.749 1.00 0.00 C ATOM 1083 CG LEU A 89 -2.870 12.897 -5.136 1.00 0.00 C ATOM 1084 CD1 LEU A 89 -3.681 14.016 -4.465 1.00 0.00 C ATOM 1085 CD2 LEU A 89 -1.362 13.024 -4.844 1.00 0.00 C ATOM 0 H LEU A 89 -5.855 11.763 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.791 11.442 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.497 11.433 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.671 10.739 -5.045 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.999 13.013 -6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.276 14.985 -4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.723 13.948 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.620 13.910 -3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.020 14.020 -5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.183 12.866 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.816 12.276 -5.419 1.00 0.00 H new ATOM 1097 N THR A 90 -4.107 8.925 -6.167 1.00 0.00 N ATOM 1098 CA THR A 90 -4.063 7.473 -6.306 1.00 0.00 C ATOM 1099 C THR A 90 -2.591 6.994 -6.272 1.00 0.00 C ATOM 1100 O THR A 90 -1.719 7.573 -6.937 1.00 0.00 O ATOM 1101 CB THR A 90 -4.772 7.002 -7.621 1.00 0.00 C ATOM 1102 OG1 THR A 90 -6.092 7.580 -7.706 1.00 0.00 O ATOM 1103 CG2 THR A 90 -4.894 5.470 -7.686 1.00 0.00 C ATOM 0 H THR A 90 -3.424 9.405 -6.753 1.00 0.00 H new ATOM 0 HA THR A 90 -4.604 7.028 -5.471 1.00 0.00 H new ATOM 0 HB THR A 90 -4.159 7.336 -8.458 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.527 7.282 -8.532 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.391 5.184 -8.613 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.900 5.024 -7.655 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.478 5.115 -6.837 1.00 0.00 H new ATOM 1111 N VAL A 91 -2.322 5.945 -5.464 1.00 0.00 N ATOM 1112 CA VAL A 91 -0.981 5.330 -5.328 1.00 0.00 C ATOM 1113 C VAL A 91 -0.958 4.005 -6.110 1.00 0.00 C ATOM 1114 O VAL A 91 -1.985 3.321 -6.196 1.00 0.00 O ATOM 1115 CB VAL A 91 -0.608 5.052 -3.815 1.00 0.00 C ATOM 1116 CG1 VAL A 91 0.921 4.859 -3.639 1.00 0.00 C ATOM 1117 CG2 VAL A 91 -1.146 6.163 -2.891 1.00 0.00 C ATOM 0 H VAL A 91 -3.032 5.498 -4.884 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.246 6.028 -5.728 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.092 4.121 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.145 4.670 -2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.252 4.012 -4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.441 5.760 -3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.873 5.942 -1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.714 7.120 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.232 6.213 -2.976 1.00 0.00 H new ATOM 1127 N HIS A 92 0.204 3.642 -6.663 1.00 0.00 N ATOM 1128 CA HIS A 92 0.361 2.397 -7.443 1.00 0.00 C ATOM 1129 C HIS A 92 0.881 1.284 -6.526 1.00 0.00 C ATOM 1130 O HIS A 92 2.028 1.330 -6.083 1.00 0.00 O ATOM 1131 CB HIS A 92 1.330 2.616 -8.633 1.00 0.00 C ATOM 1132 CG HIS A 92 0.892 3.695 -9.587 1.00 0.00 C ATOM 1133 ND1 HIS A 92 0.349 3.439 -10.821 1.00 0.00 N ATOM 1134 CD2 HIS A 92 0.927 5.044 -9.473 1.00 0.00 C ATOM 1135 CE1 HIS A 92 0.072 4.572 -11.422 1.00 0.00 C ATOM 1136 NE2 HIS A 92 0.415 5.562 -10.627 1.00 0.00 N ATOM 0 H HIS A 92 1.059 4.193 -6.587 1.00 0.00 H new ATOM 0 HA HIS A 92 -0.608 2.106 -7.848 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.317 2.868 -8.244 1.00 0.00 H new ATOM 0 HB3 HIS A 92 1.433 1.680 -9.182 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.292 5.606 -8.626 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -0.364 4.674 -12.405 1.00 0.00 H new ATOM 0 HE2 HIS A 92 0.315 6.555 -10.838 1.00 0.00 H new ATOM 1145 N LEU A 93 0.027 0.297 -6.233 1.00 0.00 N ATOM 1146 CA LEU A 93 0.380 -0.843 -5.373 1.00 0.00 C ATOM 1147 C LEU A 93 0.701 -2.072 -6.219 1.00 0.00 C ATOM 1148 O LEU A 93 -0.145 -2.553 -6.985 1.00 0.00 O ATOM 1149 CB LEU A 93 -0.777 -1.184 -4.418 1.00 0.00 C ATOM 1150 CG LEU A 93 -0.579 -2.436 -3.502 1.00 0.00 C ATOM 1151 CD1 LEU A 93 0.506 -2.216 -2.426 1.00 0.00 C ATOM 1152 CD2 LEU A 93 -1.914 -2.864 -2.877 1.00 0.00 C ATOM 0 H LEU A 93 -0.930 0.264 -6.585 1.00 0.00 H new ATOM 0 HA LEU A 93 1.257 -0.560 -4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.959 -0.319 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.677 -1.336 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.220 -3.247 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.603 -3.115 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.459 -2.000 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.223 -1.377 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.756 -3.737 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.313 -2.047 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.622 -3.113 -3.667 1.00 0.00 H new ATOM 1164 N VAL A 94 1.922 -2.574 -6.058 1.00 0.00 N ATOM 1165 CA VAL A 94 2.361 -3.835 -6.644 1.00 0.00 C ATOM 1166 C VAL A 94 2.434 -4.882 -5.527 1.00 0.00 C ATOM 1167 O VAL A 94 3.224 -4.754 -4.584 1.00 0.00 O ATOM 1168 CB VAL A 94 3.748 -3.681 -7.372 1.00 0.00 C ATOM 1169 CG1 VAL A 94 4.246 -5.022 -7.966 1.00 0.00 C ATOM 1170 CG2 VAL A 94 3.665 -2.584 -8.464 1.00 0.00 C ATOM 0 H VAL A 94 2.644 -2.109 -5.508 1.00 0.00 H new ATOM 0 HA VAL A 94 1.647 -4.153 -7.404 1.00 0.00 H new ATOM 0 HB VAL A 94 4.480 -3.375 -6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.206 -4.868 -8.459 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.362 -5.753 -7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.521 -5.390 -8.692 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.632 -2.489 -8.959 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.907 -2.858 -9.198 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.398 -1.633 -8.004 1.00 0.00 H new ATOM 1180 N ILE A 95 1.545 -5.872 -5.614 1.00 0.00 N ATOM 1181 CA ILE A 95 1.450 -6.953 -4.637 1.00 0.00 C ATOM 1182 C ILE A 95 2.322 -8.128 -5.103 1.00 0.00 C ATOM 1183 O ILE A 95 2.224 -8.560 -6.261 1.00 0.00 O ATOM 1184 CB ILE A 95 -0.035 -7.424 -4.454 1.00 0.00 C ATOM 1185 CG1 ILE A 95 -0.984 -6.202 -4.237 1.00 0.00 C ATOM 1186 CG2 ILE A 95 -0.137 -8.422 -3.283 1.00 0.00 C ATOM 1187 CD1 ILE A 95 -2.447 -6.553 -4.022 1.00 0.00 C ATOM 0 H ILE A 95 0.866 -5.945 -6.371 1.00 0.00 H new ATOM 0 HA ILE A 95 1.803 -6.587 -3.673 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.353 -7.931 -5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.631 -5.636 -3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.908 -5.544 -5.103 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.173 -8.741 -3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.489 -9.290 -3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.200 -7.941 -2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.024 -5.639 -3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.824 -7.089 -4.893 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.544 -7.183 -3.138 1.00 0.00 H new ATOM 1199 N LYS A 96 3.170 -8.633 -4.202 1.00 0.00 N ATOM 1200 CA LYS A 96 4.108 -9.722 -4.506 1.00 0.00 C ATOM 1201 C LYS A 96 3.583 -11.081 -3.963 1.00 0.00 C ATOM 1202 O LYS A 96 4.224 -12.121 -4.164 1.00 0.00 O ATOM 1203 CB LYS A 96 5.514 -9.346 -3.948 1.00 0.00 C ATOM 1204 CG LYS A 96 6.669 -10.286 -4.370 1.00 0.00 C ATOM 1205 CD LYS A 96 8.065 -9.774 -3.944 1.00 0.00 C ATOM 1206 CE LYS A 96 8.191 -9.564 -2.427 1.00 0.00 C ATOM 1207 NZ LYS A 96 9.500 -8.980 -2.055 1.00 0.00 N ATOM 0 H LYS A 96 3.227 -8.299 -3.240 1.00 0.00 H new ATOM 0 HA LYS A 96 4.195 -9.850 -5.585 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.756 -8.334 -4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.461 -9.329 -2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.503 -11.271 -3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.650 -10.409 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.822 -10.487 -4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.272 -8.833 -4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.391 -8.908 -2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.062 -10.518 -1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.544 -8.855 -1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.263 -9.617 -2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.613 -8.057 -2.521 1.00 0.00 H new