USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 864 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 70 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.36) USER MOD Set 1.2: A 99 HIS : no HD1:sc= 0 X(o=-1.2,f=-0.99) USER MOD Set 1.3: A 101 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 22 SER OG : rot -18:sc= 0.846 USER MOD Set 2.2: A 60 ASN : amide:sc=-0.00323 K(o=0.84,f=-0.52) USER MOD Set 3.1: A 19 CYS SG : rot 30:sc= -2.37 USER MOD Set 3.2: A 21 MET CE :methyl -129:sc= -1.74 (180deg=-0.361) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 152:sc= -0.158 (180deg=-0.68) USER MOD Single : A 10 SER OG : rot 180:sc= -2.08! USER MOD Single : A 11 ASN : amide:sc= -0.445 K(o=-0.45,f=-1.6) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.487 K(o=-0.49,f=-4.8!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0194 X(o=-0.019,f=-0.38) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot -130:sc= 0.289 USER MOD Single : A 52 TYR OH : rot -101:sc= 0.0481 USER MOD Single : A 53 CYS SG : rot -92:sc= 1.17 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0378 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0298 X(o=-0.03,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.745 K(o=-0.75,f=-2.3!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 49:sc= 0.249 USER MOD Single : A 85 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.227) USER MOD Single : A 86 THR OG1 : rot -68:sc= 1.31 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -1.82 K(o=-1.8,f=-8.2!) USER MOD Single : A 97 MET CE :methyl -152:sc= -0.611 (180deg=-2!) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0585) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.693 19.299 -21.703 1.00 0.00 N ATOM 2 CA GLY A 1 -19.922 17.917 -21.324 1.00 0.00 C ATOM 3 C GLY A 1 -20.406 17.780 -19.894 1.00 0.00 C ATOM 4 O GLY A 1 -21.311 18.496 -19.467 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.364 19.339 -22.689 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.579 19.835 -21.612 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.972 19.715 -21.080 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.657 17.476 -21.997 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.998 17.352 -21.447 1.00 0.00 H new ATOM 8 N SER A 2 -19.802 16.856 -19.153 1.00 0.00 N ATOM 9 CA SER A 2 -20.180 16.624 -17.764 1.00 0.00 C ATOM 10 C SER A 2 -19.375 17.517 -16.825 1.00 0.00 C ATOM 11 O SER A 2 -18.210 17.245 -16.538 1.00 0.00 O ATOM 12 CB SER A 2 -19.967 15.154 -17.395 1.00 0.00 C ATOM 13 OG SER A 2 -20.476 14.875 -16.102 1.00 0.00 O ATOM 0 H SER A 2 -19.049 16.256 -19.491 1.00 0.00 H new ATOM 0 HA SER A 2 -21.236 16.870 -17.655 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.460 14.516 -18.129 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.904 14.917 -17.430 1.00 0.00 H new ATOM 0 HG SER A 2 -20.329 13.930 -15.890 1.00 0.00 H new ATOM 19 N SER A 3 -20.007 18.586 -16.350 1.00 0.00 N ATOM 20 CA SER A 3 -19.350 19.524 -15.446 1.00 0.00 C ATOM 21 C SER A 3 -18.712 18.789 -14.271 1.00 0.00 C ATOM 22 O SER A 3 -19.166 17.716 -13.875 1.00 0.00 O ATOM 23 CB SER A 3 -20.353 20.558 -14.932 1.00 0.00 C ATOM 24 OG SER A 3 -21.283 19.967 -14.041 1.00 0.00 O ATOM 0 H SER A 3 -20.973 18.824 -16.576 1.00 0.00 H new ATOM 0 HA SER A 3 -18.564 20.036 -16.002 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.822 21.364 -14.426 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.883 21.004 -15.773 1.00 0.00 H new ATOM 0 HG SER A 3 -21.912 20.649 -13.725 1.00 0.00 H new ATOM 30 N GLY A 4 -17.656 19.375 -13.717 1.00 0.00 N ATOM 31 CA GLY A 4 -16.972 18.764 -12.592 1.00 0.00 C ATOM 32 C GLY A 4 -15.795 19.588 -12.111 1.00 0.00 C ATOM 33 O GLY A 4 -14.980 20.045 -12.911 1.00 0.00 O ATOM 0 H GLY A 4 -17.261 20.263 -14.027 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.677 18.630 -11.772 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.624 17.772 -12.878 1.00 0.00 H new ATOM 37 N SER A 5 -15.708 19.782 -10.798 1.00 0.00 N ATOM 38 CA SER A 5 -14.625 20.562 -10.211 1.00 0.00 C ATOM 39 C SER A 5 -13.698 19.672 -9.389 1.00 0.00 C ATOM 40 O SER A 5 -14.105 18.622 -8.894 1.00 0.00 O ATOM 41 CB SER A 5 -15.191 21.678 -9.332 1.00 0.00 C ATOM 42 OG SER A 5 -15.647 21.168 -8.091 1.00 0.00 O ATOM 0 H SER A 5 -16.374 19.410 -10.121 1.00 0.00 H new ATOM 0 HA SER A 5 -14.048 21.006 -11.023 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.424 22.433 -9.159 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.013 22.172 -9.850 1.00 0.00 H new ATOM 0 HG SER A 5 -16.002 21.901 -7.547 1.00 0.00 H new ATOM 48 N SER A 6 -12.447 20.101 -9.248 1.00 0.00 N ATOM 49 CA SER A 6 -11.460 19.343 -8.490 1.00 0.00 C ATOM 50 C SER A 6 -10.752 20.235 -7.475 1.00 0.00 C ATOM 51 O SER A 6 -10.761 21.459 -7.595 1.00 0.00 O ATOM 52 CB SER A 6 -10.434 18.712 -9.434 1.00 0.00 C ATOM 53 OG SER A 6 -11.064 17.861 -10.376 1.00 0.00 O ATOM 0 H SER A 6 -12.094 20.970 -9.649 1.00 0.00 H new ATOM 0 HA SER A 6 -11.982 18.552 -7.951 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.886 19.496 -9.957 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.705 18.144 -8.856 1.00 0.00 H new ATOM 0 HG SER A 6 -10.388 17.471 -10.969 1.00 0.00 H new ATOM 59 N GLY A 7 -10.138 19.611 -6.473 1.00 0.00 N ATOM 60 CA GLY A 7 -9.434 20.363 -5.451 1.00 0.00 C ATOM 61 C GLY A 7 -8.556 19.482 -4.585 1.00 0.00 C ATOM 62 O GLY A 7 -8.931 19.124 -3.468 1.00 0.00 O ATOM 0 H GLY A 7 -10.116 18.598 -6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.820 21.128 -5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.158 20.880 -4.821 1.00 0.00 H new ATOM 66 N LYS A 8 -7.383 19.128 -5.101 1.00 0.00 N ATOM 67 CA LYS A 8 -6.448 18.283 -4.369 1.00 0.00 C ATOM 68 C LYS A 8 -5.805 19.052 -3.219 1.00 0.00 C ATOM 69 O LYS A 8 -5.374 20.193 -3.387 1.00 0.00 O ATOM 70 CB LYS A 8 -5.364 17.751 -5.309 1.00 0.00 C ATOM 71 CG LYS A 8 -5.801 16.542 -6.119 1.00 0.00 C ATOM 72 CD LYS A 8 -5.094 16.486 -7.463 1.00 0.00 C ATOM 73 CE LYS A 8 -5.935 15.765 -8.505 1.00 0.00 C ATOM 74 NZ LYS A 8 -7.201 16.494 -8.798 1.00 0.00 N ATOM 0 H LYS A 8 -7.058 19.414 -6.024 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.005 17.443 -3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.065 18.546 -5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.484 17.486 -4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.590 15.632 -5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.879 16.578 -6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.879 17.498 -7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.137 15.977 -7.351 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.359 15.654 -9.424 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.168 14.760 -8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.504 16.286 -9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.940 16.188 -8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.044 17.517 -8.695 1.00 0.00 H new ATOM 88 N ILE A 9 -5.743 18.420 -2.052 1.00 0.00 N ATOM 89 CA ILE A 9 -5.150 19.044 -0.876 1.00 0.00 C ATOM 90 C ILE A 9 -3.641 19.194 -1.035 1.00 0.00 C ATOM 91 O ILE A 9 -3.063 20.206 -0.639 1.00 0.00 O ATOM 92 CB ILE A 9 -5.442 18.232 0.400 1.00 0.00 C ATOM 93 CG1 ILE A 9 -6.952 18.115 0.622 1.00 0.00 C ATOM 94 CG2 ILE A 9 -4.773 18.879 1.604 1.00 0.00 C ATOM 95 CD1 ILE A 9 -7.569 16.907 -0.047 1.00 0.00 C ATOM 0 H ILE A 9 -6.096 17.476 -1.896 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.603 20.031 -0.781 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.033 17.229 0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -7.151 18.069 1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.437 19.016 0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.988 18.294 2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.695 18.916 1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.155 19.892 1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.640 16.888 0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.401 16.961 -1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.111 16.000 0.346 1.00 0.00 H new ATOM 107 N SER A 10 -3.009 18.181 -1.619 1.00 0.00 N ATOM 108 CA SER A 10 -1.567 18.199 -1.829 1.00 0.00 C ATOM 109 C SER A 10 -1.174 17.279 -2.980 1.00 0.00 C ATOM 110 O SER A 10 -1.484 16.088 -2.971 1.00 0.00 O ATOM 111 CB SER A 10 -0.838 17.776 -0.552 1.00 0.00 C ATOM 112 OG SER A 10 0.546 18.070 -0.633 1.00 0.00 O ATOM 0 H SER A 10 -3.474 17.337 -1.955 1.00 0.00 H new ATOM 0 HA SER A 10 -1.275 19.218 -2.085 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.272 18.290 0.306 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.977 16.708 -0.387 1.00 0.00 H new ATOM 0 HG SER A 10 0.989 17.792 0.196 1.00 0.00 H new ATOM 118 N ASN A 11 -0.489 17.840 -3.972 1.00 0.00 N ATOM 119 CA ASN A 11 -0.054 17.071 -5.132 1.00 0.00 C ATOM 120 C ASN A 11 1.293 16.405 -4.868 1.00 0.00 C ATOM 121 O ASN A 11 2.233 16.551 -5.651 1.00 0.00 O ATOM 122 CB ASN A 11 0.043 17.975 -6.362 1.00 0.00 C ATOM 123 CG ASN A 11 0.573 19.356 -6.025 1.00 0.00 C ATOM 124 OD1 ASN A 11 1.544 19.495 -5.281 1.00 0.00 O ATOM 125 ND2 ASN A 11 -0.065 20.384 -6.572 1.00 0.00 N ATOM 0 H ASN A 11 -0.223 18.825 -3.995 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.794 16.293 -5.320 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.695 17.509 -7.101 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.942 18.069 -6.819 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.245 21.337 -6.381 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.865 20.221 -7.183 1.00 0.00 H new ATOM 132 N ILE A 12 1.380 15.674 -3.762 1.00 0.00 N ATOM 133 CA ILE A 12 2.611 14.984 -3.397 1.00 0.00 C ATOM 134 C ILE A 12 2.725 13.644 -4.116 1.00 0.00 C ATOM 135 O ILE A 12 3.824 13.189 -4.433 1.00 0.00 O ATOM 136 CB ILE A 12 2.694 14.747 -1.878 1.00 0.00 C ATOM 137 CG1 ILE A 12 1.487 13.938 -1.399 1.00 0.00 C ATOM 138 CG2 ILE A 12 2.775 16.075 -1.139 1.00 0.00 C ATOM 139 CD1 ILE A 12 1.519 13.623 0.080 1.00 0.00 C ATOM 0 H ILE A 12 0.612 15.544 -3.103 1.00 0.00 H new ATOM 0 HA ILE A 12 3.436 15.628 -3.702 1.00 0.00 H new ATOM 0 HB ILE A 12 3.598 14.177 -1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.576 14.492 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.440 13.005 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.833 15.891 -0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.663 16.618 -1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.887 16.668 -1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.633 13.048 0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.412 13.042 0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.535 14.552 0.650 1.00 0.00 H new ATOM 151 N PHE A 13 1.581 13.018 -4.373 1.00 0.00 N ATOM 152 CA PHE A 13 1.552 11.730 -5.056 1.00 0.00 C ATOM 153 C PHE A 13 1.325 11.914 -6.554 1.00 0.00 C ATOM 154 O PHE A 13 1.048 10.954 -7.272 1.00 0.00 O ATOM 155 CB PHE A 13 0.453 10.842 -4.468 1.00 0.00 C ATOM 156 CG PHE A 13 0.599 10.607 -2.992 1.00 0.00 C ATOM 157 CD1 PHE A 13 1.816 10.220 -2.455 1.00 0.00 C ATOM 158 CD2 PHE A 13 -0.482 10.774 -2.141 1.00 0.00 C ATOM 159 CE1 PHE A 13 1.953 10.004 -1.096 1.00 0.00 C ATOM 160 CE2 PHE A 13 -0.351 10.560 -0.782 1.00 0.00 C ATOM 161 CZ PHE A 13 0.868 10.173 -0.259 1.00 0.00 C ATOM 0 H PHE A 13 0.663 13.382 -4.119 1.00 0.00 H new ATOM 0 HA PHE A 13 2.518 11.247 -4.909 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.516 11.302 -4.661 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.458 9.881 -4.983 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.668 10.085 -3.105 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.438 11.075 -2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.908 9.703 -0.690 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.201 10.695 -0.129 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.972 10.003 0.802 1.00 0.00 H new ATOM 171 N GLU A 14 1.444 13.154 -7.017 1.00 0.00 N ATOM 172 CA GLU A 14 1.251 13.464 -8.429 1.00 0.00 C ATOM 173 C GLU A 14 2.070 12.525 -9.309 1.00 0.00 C ATOM 174 O GLU A 14 3.287 12.416 -9.156 1.00 0.00 O ATOM 175 CB GLU A 14 1.640 14.916 -8.713 1.00 0.00 C ATOM 176 CG GLU A 14 1.734 15.242 -10.194 1.00 0.00 C ATOM 177 CD GLU A 14 2.545 16.495 -10.465 1.00 0.00 C ATOM 178 OE1 GLU A 14 3.791 16.407 -10.458 1.00 0.00 O ATOM 179 OE2 GLU A 14 1.935 17.562 -10.684 1.00 0.00 O ATOM 0 H GLU A 14 1.673 13.960 -6.435 1.00 0.00 H new ATOM 0 HA GLU A 14 0.196 13.326 -8.664 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.907 15.577 -8.250 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.600 15.125 -8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.186 14.401 -10.720 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.730 15.369 -10.599 1.00 0.00 H new ATOM 186 N ASP A 15 1.394 11.847 -10.230 1.00 0.00 N ATOM 187 CA ASP A 15 2.058 10.917 -11.136 1.00 0.00 C ATOM 188 C ASP A 15 2.497 9.657 -10.395 1.00 0.00 C ATOM 189 O ASP A 15 3.527 9.064 -10.715 1.00 0.00 O ATOM 190 CB ASP A 15 3.266 11.585 -11.792 1.00 0.00 C ATOM 191 CG ASP A 15 3.753 10.831 -13.013 1.00 0.00 C ATOM 192 OD1 ASP A 15 3.029 10.817 -14.031 1.00 0.00 O ATOM 193 OD2 ASP A 15 4.859 10.254 -12.952 1.00 0.00 O ATOM 0 H ASP A 15 0.386 11.924 -10.369 1.00 0.00 H new ATOM 0 HA ASP A 15 1.346 10.632 -11.911 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.003 12.603 -12.079 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.076 11.657 -11.066 1.00 0.00 H new ATOM 198 N VAL A 16 1.710 9.256 -9.402 1.00 0.00 N ATOM 199 CA VAL A 16 2.018 8.067 -8.615 1.00 0.00 C ATOM 200 C VAL A 16 0.813 7.137 -8.531 1.00 0.00 C ATOM 201 O VAL A 16 -0.310 7.581 -8.297 1.00 0.00 O ATOM 202 CB VAL A 16 2.467 8.439 -7.189 1.00 0.00 C ATOM 203 CG1 VAL A 16 2.884 7.195 -6.420 1.00 0.00 C ATOM 204 CG2 VAL A 16 3.600 9.453 -7.235 1.00 0.00 C ATOM 0 H VAL A 16 0.855 9.737 -9.123 1.00 0.00 H new ATOM 0 HA VAL A 16 2.835 7.554 -9.122 1.00 0.00 H new ATOM 0 HB VAL A 16 1.625 8.894 -6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.198 7.477 -5.415 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.041 6.507 -6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.712 6.709 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.905 9.704 -6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.447 9.028 -7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.261 10.354 -7.746 1.00 0.00 H new ATOM 214 N GLU A 17 1.056 5.844 -8.723 1.00 0.00 N ATOM 215 CA GLU A 17 -0.010 4.851 -8.669 1.00 0.00 C ATOM 216 C GLU A 17 -0.083 4.205 -7.288 1.00 0.00 C ATOM 217 O GLU A 17 0.900 4.187 -6.547 1.00 0.00 O ATOM 218 CB GLU A 17 0.209 3.776 -9.736 1.00 0.00 C ATOM 219 CG GLU A 17 -0.433 4.106 -11.073 1.00 0.00 C ATOM 220 CD GLU A 17 0.466 4.945 -11.961 1.00 0.00 C ATOM 221 OE1 GLU A 17 1.551 4.455 -12.337 1.00 0.00 O ATOM 222 OE2 GLU A 17 0.085 6.090 -12.279 1.00 0.00 O ATOM 0 H GLU A 17 1.981 5.460 -8.917 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.954 5.359 -8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.280 3.634 -9.882 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.192 2.829 -9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.685 3.180 -11.589 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.368 4.640 -10.901 1.00 0.00 H new ATOM 229 N PHE A 18 -1.254 3.677 -6.949 1.00 0.00 N ATOM 230 CA PHE A 18 -1.457 3.032 -5.657 1.00 0.00 C ATOM 231 C PHE A 18 -2.451 1.881 -5.774 1.00 0.00 C ATOM 232 O PHE A 18 -3.514 2.023 -6.380 1.00 0.00 O ATOM 233 CB PHE A 18 -1.955 4.049 -4.628 1.00 0.00 C ATOM 234 CG PHE A 18 -1.048 5.235 -4.468 1.00 0.00 C ATOM 235 CD1 PHE A 18 -1.213 6.361 -5.258 1.00 0.00 C ATOM 236 CD2 PHE A 18 -0.029 5.223 -3.529 1.00 0.00 C ATOM 237 CE1 PHE A 18 -0.379 7.454 -5.114 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.807 6.313 -3.380 1.00 0.00 C ATOM 239 CZ PHE A 18 0.632 7.430 -4.174 1.00 0.00 C ATOM 0 H PHE A 18 -2.077 3.683 -7.551 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.500 2.629 -5.326 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.945 4.396 -4.923 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.065 3.553 -3.663 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.002 6.385 -5.995 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.113 4.352 -2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.518 8.326 -5.736 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.597 6.292 -2.643 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.285 8.283 -4.060 1.00 0.00 H new ATOM 249 N CYS A 19 -2.097 0.740 -5.192 1.00 0.00 N ATOM 250 CA CYS A 19 -2.957 -0.437 -5.232 1.00 0.00 C ATOM 251 C CYS A 19 -3.243 -0.950 -3.824 1.00 0.00 C ATOM 252 O CYS A 19 -2.417 -1.638 -3.223 1.00 0.00 O ATOM 253 CB CYS A 19 -2.307 -1.541 -6.068 1.00 0.00 C ATOM 254 SG CYS A 19 -3.487 -2.657 -6.863 1.00 0.00 S ATOM 0 H CYS A 19 -1.221 0.605 -4.687 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.902 -0.150 -5.693 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.684 -1.082 -6.835 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.646 -2.125 -5.428 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.588 -2.014 -7.118 1.00 0.00 H new ATOM 260 N VAL A 20 -4.417 -0.608 -3.303 1.00 0.00 N ATOM 261 CA VAL A 20 -4.811 -1.033 -1.965 1.00 0.00 C ATOM 262 C VAL A 20 -5.418 -2.432 -1.989 1.00 0.00 C ATOM 263 O VAL A 20 -6.412 -2.676 -2.673 1.00 0.00 O ATOM 264 CB VAL A 20 -5.826 -0.056 -1.342 1.00 0.00 C ATOM 265 CG1 VAL A 20 -6.235 -0.524 0.046 1.00 0.00 C ATOM 266 CG2 VAL A 20 -5.248 1.350 -1.291 1.00 0.00 C ATOM 0 H VAL A 20 -5.111 -0.038 -3.787 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.906 -1.043 -1.357 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.717 -0.036 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.952 0.179 0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.691 -1.511 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.355 -0.575 0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.978 2.028 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.341 1.349 -0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.010 1.683 -2.301 1.00 0.00 H new ATOM 276 N MET A 21 -4.814 -3.346 -1.238 1.00 0.00 N ATOM 277 CA MET A 21 -5.296 -4.721 -1.171 1.00 0.00 C ATOM 278 C MET A 21 -6.168 -4.932 0.062 1.00 0.00 C ATOM 279 O MET A 21 -7.128 -5.702 0.031 1.00 0.00 O ATOM 280 CB MET A 21 -4.118 -5.697 -1.151 1.00 0.00 C ATOM 281 CG MET A 21 -3.329 -5.725 -2.450 1.00 0.00 C ATOM 282 SD MET A 21 -4.245 -6.488 -3.802 1.00 0.00 S ATOM 283 CE MET A 21 -3.639 -5.543 -5.198 1.00 0.00 C ATOM 0 H MET A 21 -3.990 -3.160 -0.667 1.00 0.00 H new ATOM 0 HA MET A 21 -5.900 -4.911 -2.058 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.448 -5.428 -0.334 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.491 -6.699 -0.940 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.059 -4.706 -2.729 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.398 -6.270 -2.294 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.483 -5.167 -5.777 1.00 0.00 H new ATOM 0 HE2 MET A 21 -3.043 -4.704 -4.838 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.022 -6.182 -5.830 1.00 0.00 H new ATOM 293 N SER A 22 -5.828 -4.244 1.147 1.00 0.00 N ATOM 294 CA SER A 22 -6.578 -4.360 2.392 1.00 0.00 C ATOM 295 C SER A 22 -6.202 -3.241 3.359 1.00 0.00 C ATOM 296 O SER A 22 -5.060 -2.783 3.382 1.00 0.00 O ATOM 297 CB SER A 22 -6.320 -5.720 3.043 1.00 0.00 C ATOM 298 OG SER A 22 -6.770 -6.776 2.212 1.00 0.00 O ATOM 0 H SER A 22 -5.038 -3.600 1.189 1.00 0.00 H new ATOM 0 HA SER A 22 -7.639 -4.273 2.158 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.254 -5.836 3.240 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.829 -5.768 4.006 1.00 0.00 H new ATOM 0 HG SER A 22 -7.394 -6.423 1.543 1.00 0.00 H new ATOM 304 N GLY A 23 -7.172 -2.806 4.158 1.00 0.00 N ATOM 305 CA GLY A 23 -6.924 -1.745 5.116 1.00 0.00 C ATOM 306 C GLY A 23 -6.989 -2.232 6.550 1.00 0.00 C ATOM 307 O GLY A 23 -6.774 -3.413 6.824 1.00 0.00 O ATOM 0 H GLY A 23 -8.125 -3.170 4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.942 -1.311 4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.656 -0.951 4.972 1.00 0.00 H new ATOM 311 N THR A 24 -7.286 -1.319 7.470 1.00 0.00 N ATOM 312 CA THR A 24 -7.376 -1.661 8.884 1.00 0.00 C ATOM 313 C THR A 24 -8.731 -1.267 9.460 1.00 0.00 C ATOM 314 O THR A 24 -9.502 -0.549 8.823 1.00 0.00 O ATOM 315 CB THR A 24 -6.265 -0.974 9.700 1.00 0.00 C ATOM 316 OG1 THR A 24 -6.284 0.438 9.463 1.00 0.00 O ATOM 317 CG2 THR A 24 -4.899 -1.536 9.335 1.00 0.00 C ATOM 0 H THR A 24 -7.468 -0.337 7.261 1.00 0.00 H new ATOM 0 HA THR A 24 -7.254 -2.742 8.956 1.00 0.00 H new ATOM 0 HB THR A 24 -6.449 -1.167 10.757 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.576 0.867 9.987 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.130 -1.036 9.924 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.878 -2.605 9.544 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.709 -1.370 8.275 1.00 0.00 H new ATOM 325 N ASP A 25 -9.016 -1.741 10.668 1.00 0.00 N ATOM 326 CA ASP A 25 -10.279 -1.436 11.331 1.00 0.00 C ATOM 327 C ASP A 25 -10.588 0.056 11.250 1.00 0.00 C ATOM 328 O ASP A 25 -11.659 0.454 10.792 1.00 0.00 O ATOM 329 CB ASP A 25 -10.232 -1.882 12.793 1.00 0.00 C ATOM 330 CG ASP A 25 -10.544 -3.356 12.959 1.00 0.00 C ATOM 331 OD1 ASP A 25 -11.742 -3.707 13.016 1.00 0.00 O ATOM 332 OD2 ASP A 25 -9.591 -4.159 13.031 1.00 0.00 O ATOM 0 H ASP A 25 -8.390 -2.338 11.208 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.072 -1.981 10.819 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.243 -1.675 13.201 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.945 -1.295 13.372 1.00 0.00 H new ATOM 337 N SER A 26 -9.644 0.876 11.701 1.00 0.00 N ATOM 338 CA SER A 26 -9.818 2.324 11.685 1.00 0.00 C ATOM 339 C SER A 26 -10.145 2.816 10.278 1.00 0.00 C ATOM 340 O SER A 26 -11.113 3.547 10.075 1.00 0.00 O ATOM 341 CB SER A 26 -8.554 3.016 12.199 1.00 0.00 C ATOM 342 OG SER A 26 -8.718 4.423 12.224 1.00 0.00 O ATOM 0 H SER A 26 -8.751 0.563 12.082 1.00 0.00 H new ATOM 0 HA SER A 26 -10.652 2.573 12.341 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.320 2.656 13.201 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.709 2.756 11.562 1.00 0.00 H new ATOM 0 HG SER A 26 -7.897 4.842 12.558 1.00 0.00 H new ATOM 348 N GLN A 27 -9.329 2.409 9.311 1.00 0.00 N ATOM 349 CA GLN A 27 -9.530 2.809 7.923 1.00 0.00 C ATOM 350 C GLN A 27 -9.701 1.589 7.025 1.00 0.00 C ATOM 351 O GLN A 27 -8.822 0.733 6.924 1.00 0.00 O ATOM 352 CB GLN A 27 -8.350 3.653 7.438 1.00 0.00 C ATOM 353 CG GLN A 27 -7.839 4.638 8.476 1.00 0.00 C ATOM 354 CD GLN A 27 -8.652 5.917 8.518 1.00 0.00 C ATOM 355 OE1 GLN A 27 -9.599 6.089 7.751 1.00 0.00 O ATOM 356 NE2 GLN A 27 -8.285 6.823 9.417 1.00 0.00 N ATOM 0 H GLN A 27 -8.523 1.803 9.463 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.440 3.406 7.871 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.535 2.990 7.147 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.649 4.202 6.545 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.859 4.167 9.459 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.799 4.880 8.260 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.493 6.639 10.033 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.795 7.703 9.491 1.00 0.00 H new ATOM 365 N PRO A 28 -10.861 1.504 6.355 1.00 0.00 N ATOM 366 CA PRO A 28 -11.175 0.393 5.453 1.00 0.00 C ATOM 367 C PRO A 28 -10.331 0.421 4.183 1.00 0.00 C ATOM 368 O PRO A 28 -9.732 1.442 3.846 1.00 0.00 O ATOM 369 CB PRO A 28 -12.652 0.614 5.118 1.00 0.00 C ATOM 370 CG PRO A 28 -12.869 2.076 5.308 1.00 0.00 C ATOM 371 CD PRO A 28 -11.954 2.488 6.428 1.00 0.00 C ATOM 0 HA PRO A 28 -10.968 -0.574 5.911 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.876 0.310 4.095 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.298 0.029 5.773 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.641 2.626 4.395 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.909 2.287 5.556 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.588 3.506 6.294 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.460 2.456 7.393 1.00 0.00 H new ATOM 379 N LYS A 29 -10.289 -0.707 3.482 1.00 0.00 N ATOM 380 CA LYS A 29 -9.520 -0.812 2.247 1.00 0.00 C ATOM 381 C LYS A 29 -9.785 0.384 1.338 1.00 0.00 C ATOM 382 O LYS A 29 -8.876 1.129 0.971 1.00 0.00 O ATOM 383 CB LYS A 29 -9.868 -2.110 1.515 1.00 0.00 C ATOM 384 CG LYS A 29 -9.753 -2.005 0.004 1.00 0.00 C ATOM 385 CD LYS A 29 -9.575 -3.371 -0.638 1.00 0.00 C ATOM 386 CE LYS A 29 -10.862 -4.181 -0.589 1.00 0.00 C ATOM 387 NZ LYS A 29 -10.631 -5.610 -0.942 1.00 0.00 N ATOM 0 H LYS A 29 -10.778 -1.562 3.748 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.461 -0.821 2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.209 -2.904 1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.886 -2.402 1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.647 -1.527 -0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.907 -1.368 -0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.260 -3.249 -1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.782 -3.915 -0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.293 -4.119 0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.589 -3.750 -1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.531 -6.129 -0.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.244 -5.671 -1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.957 -6.029 -0.270 1.00 0.00 H new ATOM 401 N PRO A 30 -11.059 0.574 0.965 1.00 0.00 N ATOM 402 CA PRO A 30 -11.473 1.680 0.096 1.00 0.00 C ATOM 403 C PRO A 30 -11.371 3.033 0.791 1.00 0.00 C ATOM 404 O PRO A 30 -11.956 4.019 0.341 1.00 0.00 O ATOM 405 CB PRO A 30 -12.933 1.352 -0.224 1.00 0.00 C ATOM 406 CG PRO A 30 -13.394 0.517 0.920 1.00 0.00 C ATOM 407 CD PRO A 30 -12.194 -0.274 1.365 1.00 0.00 C ATOM 0 HA PRO A 30 -10.838 1.765 -0.786 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.531 2.259 -0.318 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.020 0.813 -1.168 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.773 1.140 1.730 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.207 -0.143 0.619 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.205 -0.450 2.441 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.155 -1.251 0.883 1.00 0.00 H new ATOM 415 N ASP A 31 -10.624 3.074 1.889 1.00 0.00 N ATOM 416 CA ASP A 31 -10.444 4.308 2.646 1.00 0.00 C ATOM 417 C ASP A 31 -9.370 5.184 2.009 1.00 0.00 C ATOM 418 O ASP A 31 -9.612 6.349 1.691 1.00 0.00 O ATOM 419 CB ASP A 31 -10.070 3.993 4.095 1.00 0.00 C ATOM 420 CG ASP A 31 -10.125 5.218 4.986 1.00 0.00 C ATOM 421 OD1 ASP A 31 -11.216 5.521 5.511 1.00 0.00 O ATOM 422 OD2 ASP A 31 -9.076 5.874 5.159 1.00 0.00 O ATOM 0 H ASP A 31 -10.133 2.267 2.275 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.387 4.854 2.633 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.747 3.233 4.485 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.066 3.571 4.124 1.00 0.00 H new ATOM 427 N LEU A 32 -8.183 4.617 1.826 1.00 0.00 N ATOM 428 CA LEU A 32 -7.070 5.346 1.228 1.00 0.00 C ATOM 429 C LEU A 32 -7.343 5.646 -0.242 1.00 0.00 C ATOM 430 O LEU A 32 -6.977 6.707 -0.747 1.00 0.00 O ATOM 431 CB LEU A 32 -5.775 4.543 1.365 1.00 0.00 C ATOM 432 CG LEU A 32 -5.532 3.889 2.725 1.00 0.00 C ATOM 433 CD1 LEU A 32 -4.732 2.605 2.565 1.00 0.00 C ATOM 434 CD2 LEU A 32 -4.814 4.853 3.659 1.00 0.00 C ATOM 0 H LEU A 32 -7.966 3.654 2.083 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.961 6.292 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.772 3.763 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.936 5.204 1.147 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.498 3.639 3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.569 2.154 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.283 1.910 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.770 2.831 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.649 4.371 4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.854 5.134 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.424 5.746 3.799 1.00 0.00 H new ATOM 446 N GLU A 33 -7.991 4.706 -0.922 1.00 0.00 N ATOM 447 CA GLU A 33 -8.314 4.871 -2.335 1.00 0.00 C ATOM 448 C GLU A 33 -8.876 6.263 -2.605 1.00 0.00 C ATOM 449 O GLU A 33 -8.480 6.930 -3.560 1.00 0.00 O ATOM 450 CB GLU A 33 -9.321 3.807 -2.778 1.00 0.00 C ATOM 451 CG GLU A 33 -8.850 2.384 -2.534 1.00 0.00 C ATOM 452 CD GLU A 33 -9.593 1.370 -3.381 1.00 0.00 C ATOM 453 OE1 GLU A 33 -10.829 1.493 -3.507 1.00 0.00 O ATOM 454 OE2 GLU A 33 -8.938 0.453 -3.919 1.00 0.00 O ATOM 0 H GLU A 33 -8.303 3.823 -0.518 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.395 4.752 -2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.261 3.965 -2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.528 3.935 -3.840 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.783 2.317 -2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.981 2.138 -1.480 1.00 0.00 H new ATOM 461 N ASN A 34 -9.803 6.696 -1.756 1.00 0.00 N ATOM 462 CA ASN A 34 -10.422 8.008 -1.903 1.00 0.00 C ATOM 463 C ASN A 34 -9.434 9.117 -1.554 1.00 0.00 C ATOM 464 O ASN A 34 -9.269 10.076 -2.308 1.00 0.00 O ATOM 465 CB ASN A 34 -11.661 8.114 -1.012 1.00 0.00 C ATOM 466 CG ASN A 34 -12.875 7.447 -1.628 1.00 0.00 C ATOM 467 OD1 ASN A 34 -13.187 7.661 -2.799 1.00 0.00 O ATOM 468 ND2 ASN A 34 -13.567 6.633 -0.839 1.00 0.00 N ATOM 0 H ASN A 34 -10.142 6.157 -0.959 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.721 8.126 -2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.450 7.657 -0.045 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.883 9.165 -0.826 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.394 6.156 -1.198 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.272 6.485 0.126 1.00 0.00 H new ATOM 475 N ARG A 35 -8.778 8.978 -0.406 1.00 0.00 N ATOM 476 CA ARG A 35 -7.807 9.968 0.044 1.00 0.00 C ATOM 477 C ARG A 35 -6.708 10.163 -0.997 1.00 0.00 C ATOM 478 O ARG A 35 -6.588 11.233 -1.594 1.00 0.00 O ATOM 479 CB ARG A 35 -7.192 9.541 1.377 1.00 0.00 C ATOM 480 CG ARG A 35 -8.132 9.699 2.561 1.00 0.00 C ATOM 481 CD ARG A 35 -8.140 11.129 3.079 1.00 0.00 C ATOM 482 NE ARG A 35 -9.364 11.439 3.812 1.00 0.00 N ATOM 483 CZ ARG A 35 -10.541 11.634 3.228 1.00 0.00 C ATOM 484 NH1 ARG A 35 -10.652 11.551 1.910 1.00 0.00 N ATOM 485 NH2 ARG A 35 -11.610 11.912 3.964 1.00 0.00 N ATOM 0 H ARG A 35 -8.902 8.189 0.229 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.328 10.916 0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.882 8.498 1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.292 10.129 1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.141 9.412 2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.829 9.023 3.360 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.279 11.284 3.729 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.035 11.818 2.241 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.312 11.510 4.828 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.833 11.337 1.342 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.557 11.701 1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.528 11.976 4.979 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.514 12.062 3.515 1.00 0.00 H new ATOM 499 N ILE A 36 -5.908 9.123 -1.207 1.00 0.00 N ATOM 500 CA ILE A 36 -4.820 9.180 -2.175 1.00 0.00 C ATOM 501 C ILE A 36 -5.193 10.050 -3.370 1.00 0.00 C ATOM 502 O ILE A 36 -4.507 11.024 -3.680 1.00 0.00 O ATOM 503 CB ILE A 36 -4.438 7.775 -2.676 1.00 0.00 C ATOM 504 CG1 ILE A 36 -4.000 6.894 -1.504 1.00 0.00 C ATOM 505 CG2 ILE A 36 -3.334 7.867 -3.718 1.00 0.00 C ATOM 506 CD1 ILE A 36 -3.710 5.463 -1.900 1.00 0.00 C ATOM 0 H ILE A 36 -5.993 8.231 -0.720 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.964 9.619 -1.662 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.313 7.320 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.108 7.325 -1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.780 6.901 -0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.075 6.866 -4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.679 8.463 -4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.455 8.338 -3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.405 4.897 -1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.607 5.015 -2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.908 5.445 -2.638 1.00 0.00 H new ATOM 518 N ALA A 37 -6.285 9.693 -4.038 1.00 0.00 N ATOM 519 CA ALA A 37 -6.752 10.443 -5.197 1.00 0.00 C ATOM 520 C ALA A 37 -6.765 11.941 -4.913 1.00 0.00 C ATOM 521 O ALA A 37 -6.265 12.736 -5.708 1.00 0.00 O ATOM 522 CB ALA A 37 -8.138 9.970 -5.608 1.00 0.00 C ATOM 0 H ALA A 37 -6.863 8.888 -3.796 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.059 10.262 -6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.474 10.539 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.101 8.911 -5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.834 10.121 -4.783 1.00 0.00 H new ATOM 528 N GLU A 38 -7.339 12.318 -3.775 1.00 0.00 N ATOM 529 CA GLU A 38 -7.418 13.722 -3.388 1.00 0.00 C ATOM 530 C GLU A 38 -6.024 14.322 -3.232 1.00 0.00 C ATOM 531 O GLU A 38 -5.841 15.534 -3.344 1.00 0.00 O ATOM 532 CB GLU A 38 -8.199 13.871 -2.081 1.00 0.00 C ATOM 533 CG GLU A 38 -9.642 13.408 -2.178 1.00 0.00 C ATOM 534 CD GLU A 38 -10.450 14.220 -3.173 1.00 0.00 C ATOM 535 OE1 GLU A 38 -10.808 15.371 -2.848 1.00 0.00 O ATOM 536 OE2 GLU A 38 -10.723 13.703 -4.276 1.00 0.00 O ATOM 0 H GLU A 38 -7.756 11.671 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.941 14.261 -4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.695 13.302 -1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.182 14.917 -1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.664 12.358 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.108 13.476 -1.195 1.00 0.00 H new ATOM 543 N PHE A 39 -5.042 13.464 -2.973 1.00 0.00 N ATOM 544 CA PHE A 39 -3.664 13.908 -2.799 1.00 0.00 C ATOM 545 C PHE A 39 -2.908 13.863 -4.124 1.00 0.00 C ATOM 546 O PHE A 39 -1.678 13.851 -4.149 1.00 0.00 O ATOM 547 CB PHE A 39 -2.952 13.037 -1.762 1.00 0.00 C ATOM 548 CG PHE A 39 -3.113 13.531 -0.353 1.00 0.00 C ATOM 549 CD1 PHE A 39 -4.246 13.216 0.380 1.00 0.00 C ATOM 550 CD2 PHE A 39 -2.131 14.309 0.239 1.00 0.00 C ATOM 551 CE1 PHE A 39 -4.397 13.669 1.677 1.00 0.00 C ATOM 552 CE2 PHE A 39 -2.277 14.764 1.536 1.00 0.00 C ATOM 553 CZ PHE A 39 -3.411 14.444 2.256 1.00 0.00 C ATOM 0 H PHE A 39 -5.175 12.457 -2.879 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.682 14.939 -2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.337 12.019 -1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.890 12.993 -2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.020 12.610 -0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.242 14.563 -0.319 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.285 13.417 2.237 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.504 15.370 1.986 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.527 14.799 3.269 1.00 0.00 H new ATOM 563 N GLY A 40 -3.653 13.838 -5.224 1.00 0.00 N ATOM 564 CA GLY A 40 -3.037 13.794 -6.537 1.00 0.00 C ATOM 565 C GLY A 40 -2.402 12.450 -6.835 1.00 0.00 C ATOM 566 O GLY A 40 -1.256 12.381 -7.276 1.00 0.00 O ATOM 0 H GLY A 40 -4.673 13.847 -5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.789 14.013 -7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.279 14.574 -6.605 1.00 0.00 H new ATOM 570 N GLY A 41 -3.150 11.377 -6.592 1.00 0.00 N ATOM 571 CA GLY A 41 -2.636 10.043 -6.841 1.00 0.00 C ATOM 572 C GLY A 41 -3.599 9.191 -7.644 1.00 0.00 C ATOM 573 O GLY A 41 -4.759 9.560 -7.830 1.00 0.00 O ATOM 0 H GLY A 41 -4.102 11.408 -6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.688 10.116 -7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.429 9.553 -5.889 1.00 0.00 H new ATOM 577 N TYR A 42 -3.117 8.050 -8.124 1.00 0.00 N ATOM 578 CA TYR A 42 -3.942 7.146 -8.916 1.00 0.00 C ATOM 579 C TYR A 42 -4.258 5.873 -8.136 1.00 0.00 C ATOM 580 O TYR A 42 -3.416 5.358 -7.400 1.00 0.00 O ATOM 581 CB TYR A 42 -3.236 6.792 -10.226 1.00 0.00 C ATOM 582 CG TYR A 42 -4.157 6.206 -11.272 1.00 0.00 C ATOM 583 CD1 TYR A 42 -5.142 6.982 -11.871 1.00 0.00 C ATOM 584 CD2 TYR A 42 -4.044 4.878 -11.661 1.00 0.00 C ATOM 585 CE1 TYR A 42 -5.987 6.452 -12.827 1.00 0.00 C ATOM 586 CE2 TYR A 42 -4.883 4.339 -12.617 1.00 0.00 C ATOM 587 CZ TYR A 42 -5.853 5.130 -13.196 1.00 0.00 C ATOM 588 OH TYR A 42 -6.692 4.596 -14.148 1.00 0.00 O ATOM 0 H TYR A 42 -2.160 7.729 -7.978 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.879 7.655 -9.142 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.766 7.689 -10.629 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.437 6.080 -10.018 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.249 8.018 -11.584 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.287 4.255 -11.208 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.748 7.069 -13.282 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.780 3.304 -12.909 1.00 0.00 H new ATOM 0 HH TYR A 42 -6.464 3.654 -14.294 1.00 0.00 H new ATOM 598 N ILE A 43 -5.478 5.372 -8.304 1.00 0.00 N ATOM 599 CA ILE A 43 -5.905 4.159 -7.618 1.00 0.00 C ATOM 600 C ILE A 43 -6.315 3.079 -8.613 1.00 0.00 C ATOM 601 O ILE A 43 -7.172 3.301 -9.469 1.00 0.00 O ATOM 602 CB ILE A 43 -7.084 4.437 -6.665 1.00 0.00 C ATOM 603 CG1 ILE A 43 -6.666 5.430 -5.579 1.00 0.00 C ATOM 604 CG2 ILE A 43 -7.578 3.140 -6.043 1.00 0.00 C ATOM 605 CD1 ILE A 43 -5.351 5.085 -4.917 1.00 0.00 C ATOM 0 H ILE A 43 -6.187 5.787 -8.909 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.052 3.809 -7.037 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.900 4.877 -7.238 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.592 6.425 -6.017 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.446 5.473 -4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.411 3.352 -5.372 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.909 2.462 -6.830 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.769 2.675 -5.480 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.119 5.832 -4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.426 4.104 -4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.559 5.070 -5.666 1.00 0.00 H new ATOM 617 N VAL A 44 -5.697 1.908 -8.496 1.00 0.00 N ATOM 618 CA VAL A 44 -5.999 0.792 -9.384 1.00 0.00 C ATOM 619 C VAL A 44 -6.463 -0.427 -8.595 1.00 0.00 C ATOM 620 O VAL A 44 -6.602 -0.372 -7.374 1.00 0.00 O ATOM 621 CB VAL A 44 -4.775 0.404 -10.234 1.00 0.00 C ATOM 622 CG1 VAL A 44 -4.421 1.522 -11.202 1.00 0.00 C ATOM 623 CG2 VAL A 44 -3.591 0.067 -9.340 1.00 0.00 C ATOM 0 H VAL A 44 -4.984 1.708 -7.795 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.801 1.121 -10.045 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.025 -0.483 -10.816 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.554 1.230 -11.794 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.266 1.711 -11.865 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.189 2.428 -10.642 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.735 -0.205 -9.957 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.338 0.934 -8.730 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.851 -0.770 -8.692 1.00 0.00 H new ATOM 633 N GLN A 45 -6.701 -1.527 -9.302 1.00 0.00 N ATOM 634 CA GLN A 45 -7.150 -2.761 -8.668 1.00 0.00 C ATOM 635 C GLN A 45 -6.036 -3.802 -8.652 1.00 0.00 C ATOM 636 O GLN A 45 -5.753 -4.406 -7.618 1.00 0.00 O ATOM 637 CB GLN A 45 -8.375 -3.318 -9.397 1.00 0.00 C ATOM 638 CG GLN A 45 -9.500 -2.308 -9.555 1.00 0.00 C ATOM 639 CD GLN A 45 -10.265 -2.080 -8.266 1.00 0.00 C ATOM 640 OE1 GLN A 45 -11.208 -2.807 -7.953 1.00 0.00 O ATOM 641 NE2 GLN A 45 -9.862 -1.065 -7.510 1.00 0.00 N ATOM 0 H GLN A 45 -6.590 -1.589 -10.314 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.422 -2.532 -7.638 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.072 -3.669 -10.383 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.749 -4.184 -8.851 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.087 -1.360 -9.900 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.189 -2.655 -10.325 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.075 -0.488 -7.808 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.339 -0.863 -6.631 1.00 0.00 H new ATOM 650 N ASN A 46 -5.408 -4.007 -9.805 1.00 0.00 N ATOM 651 CA ASN A 46 -4.325 -4.976 -9.923 1.00 0.00 C ATOM 652 C ASN A 46 -3.010 -4.283 -10.266 1.00 0.00 C ATOM 653 O ASN A 46 -2.942 -3.428 -11.150 1.00 0.00 O ATOM 654 CB ASN A 46 -4.659 -6.017 -10.993 1.00 0.00 C ATOM 655 CG ASN A 46 -6.132 -6.379 -11.007 1.00 0.00 C ATOM 656 OD1 ASN A 46 -6.806 -6.244 -12.028 1.00 0.00 O ATOM 657 ND2 ASN A 46 -6.638 -6.842 -9.870 1.00 0.00 N ATOM 0 H ASN A 46 -5.630 -3.515 -10.671 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.212 -5.476 -8.961 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.373 -5.633 -11.972 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.068 -6.916 -10.818 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.623 -7.102 -9.819 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.042 -6.937 -9.048 1.00 0.00 H new ATOM 664 N PRO A 47 -1.938 -4.660 -9.552 1.00 0.00 N ATOM 665 CA PRO A 47 -0.605 -4.088 -9.764 1.00 0.00 C ATOM 666 C PRO A 47 0.007 -4.519 -11.092 1.00 0.00 C ATOM 667 O PRO A 47 0.000 -5.700 -11.435 1.00 0.00 O ATOM 668 CB PRO A 47 0.209 -4.646 -8.594 1.00 0.00 C ATOM 669 CG PRO A 47 -0.485 -5.908 -8.216 1.00 0.00 C ATOM 670 CD PRO A 47 -1.946 -5.673 -8.484 1.00 0.00 C ATOM 0 HA PRO A 47 -0.630 -2.999 -9.804 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.242 -4.835 -8.885 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.236 -3.944 -7.760 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.111 -6.749 -8.800 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.314 -6.148 -7.167 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.449 -6.587 -8.801 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.465 -5.315 -7.595 1.00 0.00 H new ATOM 678 N GLY A 48 0.535 -3.552 -11.837 1.00 0.00 N ATOM 679 CA GLY A 48 1.144 -3.853 -13.119 1.00 0.00 C ATOM 680 C GLY A 48 2.409 -3.053 -13.362 1.00 0.00 C ATOM 681 O GLY A 48 3.052 -2.569 -12.431 1.00 0.00 O ATOM 0 H GLY A 48 0.552 -2.566 -11.575 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.376 -4.917 -13.167 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.429 -3.647 -13.915 1.00 0.00 H new ATOM 685 N PRO A 49 2.783 -2.905 -14.642 1.00 0.00 N ATOM 686 CA PRO A 49 3.983 -2.160 -15.034 1.00 0.00 C ATOM 687 C PRO A 49 3.835 -0.660 -14.803 1.00 0.00 C ATOM 688 O PRO A 49 4.826 0.067 -14.725 1.00 0.00 O ATOM 689 CB PRO A 49 4.113 -2.459 -16.530 1.00 0.00 C ATOM 690 CG PRO A 49 2.728 -2.782 -16.974 1.00 0.00 C ATOM 691 CD PRO A 49 2.064 -3.454 -15.804 1.00 0.00 C ATOM 0 HA PRO A 49 4.854 -2.454 -14.449 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.512 -1.602 -17.072 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.791 -3.293 -16.709 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.190 -1.879 -17.262 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.740 -3.437 -17.845 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.999 -3.227 -15.762 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.157 -4.539 -15.858 1.00 0.00 H new ATOM 699 N ASP A 50 2.593 -0.203 -14.692 1.00 0.00 N ATOM 700 CA ASP A 50 2.315 1.211 -14.467 1.00 0.00 C ATOM 701 C ASP A 50 1.830 1.449 -13.040 1.00 0.00 C ATOM 702 O ASP A 50 0.880 2.200 -12.813 1.00 0.00 O ATOM 703 CB ASP A 50 1.271 1.713 -15.465 1.00 0.00 C ATOM 704 CG ASP A 50 1.875 2.056 -16.812 1.00 0.00 C ATOM 705 OD1 ASP A 50 2.829 2.861 -16.847 1.00 0.00 O ATOM 706 OD2 ASP A 50 1.394 1.519 -17.833 1.00 0.00 O ATOM 0 H ASP A 50 1.762 -0.791 -14.754 1.00 0.00 H new ATOM 0 HA ASP A 50 3.242 1.766 -14.614 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.504 0.950 -15.598 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.777 2.595 -15.057 1.00 0.00 H new ATOM 711 N THR A 51 2.486 0.804 -12.081 1.00 0.00 N ATOM 712 CA THR A 51 2.121 0.944 -10.678 1.00 0.00 C ATOM 713 C THR A 51 3.344 1.240 -9.818 1.00 0.00 C ATOM 714 O THR A 51 4.473 0.936 -10.202 1.00 0.00 O ATOM 715 CB THR A 51 1.431 -0.327 -10.148 1.00 0.00 C ATOM 716 OG1 THR A 51 0.253 -0.601 -10.915 1.00 0.00 O ATOM 717 CG2 THR A 51 1.062 -0.171 -8.680 1.00 0.00 C ATOM 0 H THR A 51 3.274 0.179 -12.251 1.00 0.00 H new ATOM 0 HA THR A 51 1.425 1.780 -10.615 1.00 0.00 H new ATOM 0 HB THR A 51 2.128 -1.159 -10.244 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.503 -0.752 -10.310 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.576 -1.081 -8.328 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.964 0.008 -8.095 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.381 0.672 -8.564 1.00 0.00 H new ATOM 725 N TYR A 52 3.112 1.835 -8.653 1.00 0.00 N ATOM 726 CA TYR A 52 4.196 2.174 -7.739 1.00 0.00 C ATOM 727 C TYR A 52 4.448 1.041 -6.748 1.00 0.00 C ATOM 728 O TYR A 52 5.518 0.431 -6.745 1.00 0.00 O ATOM 729 CB TYR A 52 3.870 3.464 -6.983 1.00 0.00 C ATOM 730 CG TYR A 52 4.956 3.895 -6.024 1.00 0.00 C ATOM 731 CD1 TYR A 52 6.282 3.969 -6.432 1.00 0.00 C ATOM 732 CD2 TYR A 52 4.656 4.229 -4.709 1.00 0.00 C ATOM 733 CE1 TYR A 52 7.278 4.361 -5.559 1.00 0.00 C ATOM 734 CE2 TYR A 52 5.645 4.625 -3.829 1.00 0.00 C ATOM 735 CZ TYR A 52 6.954 4.688 -4.258 1.00 0.00 C ATOM 736 OH TYR A 52 7.943 5.081 -3.386 1.00 0.00 O ATOM 0 H TYR A 52 2.183 2.092 -8.320 1.00 0.00 H new ATOM 0 HA TYR A 52 5.100 2.325 -8.329 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.695 4.263 -7.703 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.942 3.326 -6.429 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.539 3.715 -7.450 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.632 4.178 -4.369 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.304 4.411 -5.892 1.00 0.00 H new ATOM 0 HE2 TYR A 52 5.394 4.884 -2.811 1.00 0.00 H new ATOM 0 HH TYR A 52 8.184 4.330 -2.805 1.00 0.00 H new ATOM 746 N CYS A 53 3.455 0.766 -5.910 1.00 0.00 N ATOM 747 CA CYS A 53 3.568 -0.294 -4.914 1.00 0.00 C ATOM 748 C CYS A 53 2.190 -0.733 -4.430 1.00 0.00 C ATOM 749 O CYS A 53 1.175 -0.131 -4.781 1.00 0.00 O ATOM 750 CB CYS A 53 4.411 0.180 -3.729 1.00 0.00 C ATOM 751 SG CYS A 53 3.860 1.744 -3.009 1.00 0.00 S ATOM 0 H CYS A 53 2.563 1.261 -5.900 1.00 0.00 H new ATOM 0 HA CYS A 53 4.058 -1.148 -5.381 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.396 -0.588 -2.956 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.446 0.286 -4.053 1.00 0.00 H new ATOM 0 HG CYS A 53 4.501 2.728 -3.566 1.00 0.00 H new ATOM 757 N VAL A 54 2.161 -1.789 -3.623 1.00 0.00 N ATOM 758 CA VAL A 54 0.907 -2.310 -3.091 1.00 0.00 C ATOM 759 C VAL A 54 0.779 -2.018 -1.600 1.00 0.00 C ATOM 760 O VAL A 54 1.761 -2.074 -0.859 1.00 0.00 O ATOM 761 CB VAL A 54 0.791 -3.830 -3.316 1.00 0.00 C ATOM 762 CG1 VAL A 54 -0.355 -4.405 -2.498 1.00 0.00 C ATOM 763 CG2 VAL A 54 0.607 -4.136 -4.795 1.00 0.00 C ATOM 0 H VAL A 54 2.991 -2.300 -3.323 1.00 0.00 H new ATOM 0 HA VAL A 54 0.102 -1.807 -3.628 1.00 0.00 H new ATOM 0 HB VAL A 54 1.716 -4.301 -2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.421 -5.479 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.176 -4.217 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.290 -3.931 -2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.527 -5.214 -4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.302 -3.654 -5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.464 -3.760 -5.354 1.00 0.00 H new ATOM 773 N ILE A 55 -0.438 -1.705 -1.167 1.00 0.00 N ATOM 774 CA ILE A 55 -0.695 -1.404 0.236 1.00 0.00 C ATOM 775 C ILE A 55 -1.610 -2.450 0.863 1.00 0.00 C ATOM 776 O ILE A 55 -2.771 -2.585 0.478 1.00 0.00 O ATOM 777 CB ILE A 55 -1.333 -0.013 0.406 1.00 0.00 C ATOM 778 CG1 ILE A 55 -0.421 1.065 -0.185 1.00 0.00 C ATOM 779 CG2 ILE A 55 -1.609 0.267 1.875 1.00 0.00 C ATOM 780 CD1 ILE A 55 0.894 1.212 0.547 1.00 0.00 C ATOM 0 H ILE A 55 -1.261 -1.653 -1.767 1.00 0.00 H new ATOM 0 HA ILE A 55 0.270 -1.416 0.743 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.281 0.004 -0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.221 0.828 -1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.945 2.021 -0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.060 1.254 1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.292 -0.487 2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.674 0.235 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.489 1.993 0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.704 1.480 1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.439 0.269 0.510 1.00 0.00 H new ATOM 792 N ALA A 56 -1.080 -3.187 1.833 1.00 0.00 N ATOM 793 CA ALA A 56 -1.850 -4.219 2.517 1.00 0.00 C ATOM 794 C ALA A 56 -1.461 -4.309 3.989 1.00 0.00 C ATOM 795 O ALA A 56 -0.315 -4.611 4.321 1.00 0.00 O ATOM 796 CB ALA A 56 -1.654 -5.564 1.834 1.00 0.00 C ATOM 0 H ALA A 56 -0.120 -3.089 2.163 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.904 -3.947 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.235 -6.325 2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.988 -5.498 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.598 -5.834 1.858 1.00 0.00 H new ATOM 802 N GLY A 57 -2.423 -4.045 4.868 1.00 0.00 N ATOM 803 CA GLY A 57 -2.160 -4.101 6.294 1.00 0.00 C ATOM 804 C GLY A 57 -1.544 -5.419 6.719 1.00 0.00 C ATOM 805 O GLY A 57 -0.686 -5.455 7.601 1.00 0.00 O ATOM 0 H GLY A 57 -3.379 -3.793 4.618 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.491 -3.286 6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.092 -3.947 6.838 1.00 0.00 H new ATOM 809 N SER A 58 -1.983 -6.505 6.091 1.00 0.00 N ATOM 810 CA SER A 58 -1.472 -7.833 6.413 1.00 0.00 C ATOM 811 C SER A 58 -1.281 -8.663 5.147 1.00 0.00 C ATOM 812 O SER A 58 -1.769 -8.302 4.077 1.00 0.00 O ATOM 813 CB SER A 58 -2.426 -8.551 7.369 1.00 0.00 C ATOM 814 OG SER A 58 -1.840 -9.737 7.878 1.00 0.00 O ATOM 0 H SER A 58 -2.691 -6.492 5.357 1.00 0.00 H new ATOM 0 HA SER A 58 -0.503 -7.715 6.899 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.687 -7.888 8.194 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.353 -8.794 6.849 1.00 0.00 H new ATOM 0 HG SER A 58 -2.469 -10.177 8.488 1.00 0.00 H new ATOM 820 N GLU A 59 -0.568 -9.777 5.279 1.00 0.00 N ATOM 821 CA GLU A 59 -0.312 -10.658 4.146 1.00 0.00 C ATOM 822 C GLU A 59 -1.523 -11.542 3.860 1.00 0.00 C ATOM 823 O GLU A 59 -1.677 -12.611 4.447 1.00 0.00 O ATOM 824 CB GLU A 59 0.916 -11.530 4.417 1.00 0.00 C ATOM 825 CG GLU A 59 2.203 -10.737 4.572 1.00 0.00 C ATOM 826 CD GLU A 59 3.425 -11.626 4.699 1.00 0.00 C ATOM 827 OE1 GLU A 59 3.420 -12.729 4.114 1.00 0.00 O ATOM 828 OE2 GLU A 59 4.386 -11.218 5.384 1.00 0.00 O ATOM 0 H GLU A 59 -0.158 -10.091 6.159 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.122 -10.036 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.746 -12.111 5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.034 -12.241 3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.325 -10.079 3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.129 -10.100 5.453 1.00 0.00 H new ATOM 835 N ASN A 60 -2.380 -11.085 2.952 1.00 0.00 N ATOM 836 CA ASN A 60 -3.578 -11.832 2.588 1.00 0.00 C ATOM 837 C ASN A 60 -3.399 -12.523 1.239 1.00 0.00 C ATOM 838 O ASN A 60 -2.500 -12.182 0.470 1.00 0.00 O ATOM 839 CB ASN A 60 -4.790 -10.900 2.539 1.00 0.00 C ATOM 840 CG ASN A 60 -5.243 -10.467 3.920 1.00 0.00 C ATOM 841 OD1 ASN A 60 -4.693 -10.904 4.931 1.00 0.00 O ATOM 842 ND2 ASN A 60 -6.251 -9.604 3.969 1.00 0.00 N ATOM 0 H ASN A 60 -2.267 -10.201 2.455 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.745 -12.595 3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.543 -10.018 1.948 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.612 -11.404 2.031 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.599 -9.277 4.870 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.677 -9.268 3.105 1.00 0.00 H new ATOM 849 N ILE A 61 -4.261 -13.495 0.960 1.00 0.00 N ATOM 850 CA ILE A 61 -4.199 -14.232 -0.296 1.00 0.00 C ATOM 851 C ILE A 61 -3.762 -13.328 -1.443 1.00 0.00 C ATOM 852 O ILE A 61 -2.685 -13.506 -2.012 1.00 0.00 O ATOM 853 CB ILE A 61 -5.559 -14.865 -0.645 1.00 0.00 C ATOM 854 CG1 ILE A 61 -5.949 -15.902 0.411 1.00 0.00 C ATOM 855 CG2 ILE A 61 -5.508 -15.501 -2.026 1.00 0.00 C ATOM 856 CD1 ILE A 61 -4.778 -16.703 0.934 1.00 0.00 C ATOM 0 H ILE A 61 -5.010 -13.790 1.586 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.463 -15.024 -0.161 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.317 -14.081 -0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.433 -15.394 1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.684 -16.585 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.476 -15.944 -2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.270 -14.740 -2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.741 -16.276 -2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.129 -17.418 1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.307 -17.239 0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.052 -16.030 1.391 1.00 0.00 H new ATOM 868 N ARG A 62 -4.605 -12.357 -1.778 1.00 0.00 N ATOM 869 CA ARG A 62 -4.306 -11.424 -2.857 1.00 0.00 C ATOM 870 C ARG A 62 -2.870 -10.918 -2.756 1.00 0.00 C ATOM 871 O ARG A 62 -2.063 -11.125 -3.662 1.00 0.00 O ATOM 872 CB ARG A 62 -5.278 -10.242 -2.822 1.00 0.00 C ATOM 873 CG ARG A 62 -6.679 -10.592 -3.296 1.00 0.00 C ATOM 874 CD ARG A 62 -6.663 -11.173 -4.702 1.00 0.00 C ATOM 875 NE ARG A 62 -6.456 -12.619 -4.695 1.00 0.00 N ATOM 876 CZ ARG A 62 -6.437 -13.364 -5.794 1.00 0.00 C ATOM 877 NH1 ARG A 62 -6.612 -12.802 -6.982 1.00 0.00 N ATOM 878 NH2 ARG A 62 -6.242 -14.673 -5.706 1.00 0.00 N ATOM 0 H ARG A 62 -5.501 -12.196 -1.317 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.421 -11.953 -3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.333 -9.858 -1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.883 -9.439 -3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.128 -11.310 -2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.304 -9.699 -3.277 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.606 -10.944 -5.199 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.873 -10.697 -5.282 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.318 -13.082 -3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.762 -11.796 -7.053 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.597 -13.376 -7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.106 -15.108 -4.794 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.228 -15.244 -6.551 1.00 0.00 H new ATOM 892 N VAL A 63 -2.559 -10.252 -1.648 1.00 0.00 N ATOM 893 CA VAL A 63 -1.221 -9.717 -1.428 1.00 0.00 C ATOM 894 C VAL A 63 -0.152 -10.736 -1.807 1.00 0.00 C ATOM 895 O VAL A 63 0.842 -10.400 -2.450 1.00 0.00 O ATOM 896 CB VAL A 63 -1.018 -9.298 0.040 1.00 0.00 C ATOM 897 CG1 VAL A 63 0.342 -8.643 0.226 1.00 0.00 C ATOM 898 CG2 VAL A 63 -2.134 -8.364 0.486 1.00 0.00 C ATOM 0 H VAL A 63 -3.216 -10.070 -0.889 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.123 -8.838 -2.065 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.052 -10.192 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.467 -8.354 1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.126 -9.347 -0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.409 -7.758 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.975 -8.078 1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.134 -7.472 -0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.093 -8.873 0.392 1.00 0.00 H new ATOM 908 N LYS A 64 -0.364 -11.984 -1.403 1.00 0.00 N ATOM 909 CA LYS A 64 0.579 -13.056 -1.701 1.00 0.00 C ATOM 910 C LYS A 64 0.925 -13.080 -3.186 1.00 0.00 C ATOM 911 O LYS A 64 2.091 -12.977 -3.563 1.00 0.00 O ATOM 912 CB LYS A 64 -0.002 -14.407 -1.280 1.00 0.00 C ATOM 913 CG LYS A 64 1.054 -15.449 -0.954 1.00 0.00 C ATOM 914 CD LYS A 64 0.445 -16.834 -0.812 1.00 0.00 C ATOM 915 CE LYS A 64 1.503 -17.921 -0.925 1.00 0.00 C ATOM 916 NZ LYS A 64 0.920 -19.281 -0.757 1.00 0.00 N ATOM 0 H LYS A 64 -1.181 -12.278 -0.868 1.00 0.00 H new ATOM 0 HA LYS A 64 1.492 -12.869 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.639 -14.263 -0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.638 -14.785 -2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.809 -15.461 -1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.562 -15.177 -0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.059 -16.914 0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.313 -16.980 -1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.992 -17.853 -1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.272 -17.759 -0.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.672 -19.994 -0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.476 -19.355 0.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.204 -19.445 -1.493 1.00 0.00 H new ATOM 930 N ASN A 65 -0.097 -13.214 -4.025 1.00 0.00 N ATOM 931 CA ASN A 65 0.099 -13.250 -5.470 1.00 0.00 C ATOM 932 C ASN A 65 1.099 -12.185 -5.910 1.00 0.00 C ATOM 933 O ASN A 65 1.969 -12.442 -6.742 1.00 0.00 O ATOM 934 CB ASN A 65 -1.234 -13.043 -6.192 1.00 0.00 C ATOM 935 CG ASN A 65 -1.957 -14.350 -6.456 1.00 0.00 C ATOM 936 OD1 ASN A 65 -2.082 -14.782 -7.603 1.00 0.00 O ATOM 937 ND2 ASN A 65 -2.437 -14.986 -5.394 1.00 0.00 N ATOM 0 H ASN A 65 -1.069 -13.299 -3.729 1.00 0.00 H new ATOM 0 HA ASN A 65 0.499 -14.229 -5.733 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.872 -12.393 -5.593 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.056 -12.532 -7.138 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.933 -15.870 -5.510 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.310 -14.591 -4.462 1.00 0.00 H new ATOM 944 N ILE A 66 0.968 -10.989 -5.345 1.00 0.00 N ATOM 945 CA ILE A 66 1.861 -9.886 -5.677 1.00 0.00 C ATOM 946 C ILE A 66 3.269 -10.140 -5.149 1.00 0.00 C ATOM 947 O ILE A 66 4.256 -9.902 -5.846 1.00 0.00 O ATOM 948 CB ILE A 66 1.344 -8.552 -5.107 1.00 0.00 C ATOM 949 CG1 ILE A 66 -0.033 -8.224 -5.687 1.00 0.00 C ATOM 950 CG2 ILE A 66 2.330 -7.432 -5.404 1.00 0.00 C ATOM 951 CD1 ILE A 66 -1.147 -9.075 -5.117 1.00 0.00 C ATOM 0 H ILE A 66 0.252 -10.760 -4.655 1.00 0.00 H new ATOM 0 HA ILE A 66 1.890 -9.820 -6.765 1.00 0.00 H new ATOM 0 HB ILE A 66 1.248 -8.649 -4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.257 -7.174 -5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.003 -8.355 -6.769 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.951 -6.495 -4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.292 -7.664 -4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.454 -7.333 -6.482 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.094 -8.788 -5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.947 -10.125 -5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.204 -8.926 -4.039 1.00 0.00 H new ATOM 963 N ILE A 67 3.353 -10.626 -3.916 1.00 0.00 N ATOM 964 CA ILE A 67 4.640 -10.915 -3.296 1.00 0.00 C ATOM 965 C ILE A 67 5.449 -11.896 -4.138 1.00 0.00 C ATOM 966 O ILE A 67 6.615 -11.650 -4.450 1.00 0.00 O ATOM 967 CB ILE A 67 4.465 -11.496 -1.880 1.00 0.00 C ATOM 968 CG1 ILE A 67 3.956 -10.417 -0.922 1.00 0.00 C ATOM 969 CG2 ILE A 67 5.779 -12.077 -1.380 1.00 0.00 C ATOM 970 CD1 ILE A 67 3.630 -10.940 0.459 1.00 0.00 C ATOM 0 H ILE A 67 2.546 -10.828 -3.326 1.00 0.00 H new ATOM 0 HA ILE A 67 5.177 -9.969 -3.229 1.00 0.00 H new ATOM 0 HB ILE A 67 3.727 -12.297 -1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.709 -9.634 -0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.064 -9.957 -1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.639 -12.484 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.105 -12.871 -2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.536 -11.293 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.275 -10.120 1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.854 -11.702 0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.525 -11.375 0.904 1.00 0.00 H new ATOM 982 N LEU A 68 4.821 -13.008 -4.506 1.00 0.00 N ATOM 983 CA LEU A 68 5.481 -14.026 -5.316 1.00 0.00 C ATOM 984 C LEU A 68 6.248 -13.391 -6.472 1.00 0.00 C ATOM 985 O LEU A 68 7.476 -13.458 -6.526 1.00 0.00 O ATOM 986 CB LEU A 68 4.453 -15.021 -5.857 1.00 0.00 C ATOM 987 CG LEU A 68 3.512 -15.642 -4.824 1.00 0.00 C ATOM 988 CD1 LEU A 68 2.418 -16.443 -5.512 1.00 0.00 C ATOM 989 CD2 LEU A 68 4.289 -16.519 -3.853 1.00 0.00 C ATOM 0 H LEU A 68 3.857 -13.227 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 68 6.191 -14.555 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.850 -14.516 -6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.987 -15.826 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 68 3.043 -14.837 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.758 -16.877 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.842 -15.787 -6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.868 -17.240 -6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.603 -16.952 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.787 -17.318 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.034 -15.916 -3.335 1.00 0.00 H new ATOM 1001 N SER A 69 5.515 -12.773 -7.393 1.00 0.00 N ATOM 1002 CA SER A 69 6.125 -12.127 -8.548 1.00 0.00 C ATOM 1003 C SER A 69 7.395 -11.382 -8.147 1.00 0.00 C ATOM 1004 O SER A 69 8.348 -11.297 -8.920 1.00 0.00 O ATOM 1005 CB SER A 69 5.136 -11.158 -9.199 1.00 0.00 C ATOM 1006 OG SER A 69 5.430 -10.976 -10.573 1.00 0.00 O ATOM 0 H SER A 69 4.498 -12.706 -7.361 1.00 0.00 H new ATOM 0 HA SER A 69 6.391 -12.902 -9.267 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.121 -11.540 -9.089 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.172 -10.197 -8.686 1.00 0.00 H new ATOM 0 HG SER A 69 4.783 -10.354 -10.966 1.00 0.00 H new ATOM 1012 N ASN A 70 7.399 -10.845 -6.931 1.00 0.00 N ATOM 1013 CA ASN A 70 8.550 -10.107 -6.425 1.00 0.00 C ATOM 1014 C ASN A 70 8.891 -8.936 -7.342 1.00 0.00 C ATOM 1015 O ASN A 70 10.057 -8.701 -7.662 1.00 0.00 O ATOM 1016 CB ASN A 70 9.760 -11.035 -6.294 1.00 0.00 C ATOM 1017 CG ASN A 70 10.708 -10.595 -5.195 1.00 0.00 C ATOM 1018 OD1 ASN A 70 10.286 -10.298 -4.077 1.00 0.00 O ATOM 1019 ND2 ASN A 70 11.998 -10.552 -5.509 1.00 0.00 N ATOM 0 H ASN A 70 6.618 -10.907 -6.278 1.00 0.00 H new ATOM 0 HA ASN A 70 8.294 -9.713 -5.441 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.417 -12.049 -6.090 1.00 0.00 H new ATOM 0 HB3 ASN A 70 10.296 -11.065 -7.243 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.684 -10.264 -4.811 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.303 -10.807 -6.448 1.00 0.00 H new ATOM 1026 N LYS A 71 7.866 -8.203 -7.762 1.00 0.00 N ATOM 1027 CA LYS A 71 8.054 -7.055 -8.641 1.00 0.00 C ATOM 1028 C LYS A 71 7.798 -5.750 -7.894 1.00 0.00 C ATOM 1029 O LYS A 71 8.513 -4.765 -8.081 1.00 0.00 O ATOM 1030 CB LYS A 71 7.122 -7.153 -9.851 1.00 0.00 C ATOM 1031 CG LYS A 71 7.369 -8.382 -10.710 1.00 0.00 C ATOM 1032 CD LYS A 71 8.423 -8.117 -11.772 1.00 0.00 C ATOM 1033 CE LYS A 71 7.800 -7.594 -13.057 1.00 0.00 C ATOM 1034 NZ LYS A 71 8.681 -7.825 -14.235 1.00 0.00 N ATOM 0 H LYS A 71 6.895 -8.384 -7.507 1.00 0.00 H new ATOM 0 HA LYS A 71 9.088 -7.060 -8.986 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.089 -7.164 -9.504 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.242 -6.260 -10.465 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.688 -9.211 -10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.438 -8.686 -11.188 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.146 -7.393 -11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.971 -9.036 -11.980 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.840 -8.083 -13.220 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.601 -6.527 -12.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.221 -7.454 -15.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.588 -7.337 -14.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.850 -8.845 -14.347 1.00 0.00 H new ATOM 1048 N HIS A 72 6.775 -5.750 -7.045 1.00 0.00 N ATOM 1049 CA HIS A 72 6.426 -4.566 -6.268 1.00 0.00 C ATOM 1050 C HIS A 72 6.806 -4.748 -4.802 1.00 0.00 C ATOM 1051 O HIS A 72 7.417 -5.749 -4.428 1.00 0.00 O ATOM 1052 CB HIS A 72 4.930 -4.274 -6.387 1.00 0.00 C ATOM 1053 CG HIS A 72 4.541 -3.662 -7.698 1.00 0.00 C ATOM 1054 ND1 HIS A 72 4.984 -2.423 -8.110 1.00 0.00 N ATOM 1055 CD2 HIS A 72 3.748 -4.126 -8.691 1.00 0.00 C ATOM 1056 CE1 HIS A 72 4.478 -2.151 -9.299 1.00 0.00 C ATOM 1057 NE2 HIS A 72 3.725 -3.169 -9.675 1.00 0.00 N ATOM 0 H HIS A 72 6.173 -6.557 -6.878 1.00 0.00 H new ATOM 0 HA HIS A 72 6.986 -3.721 -6.668 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.375 -5.202 -6.250 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.634 -3.603 -5.580 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.229 -5.073 -8.707 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.651 -1.249 -9.868 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.210 -3.234 -10.553 1.00 0.00 H new ATOM 1065 N ASP A 73 6.441 -3.773 -3.976 1.00 0.00 N ATOM 1066 CA ASP A 73 6.743 -3.825 -2.550 1.00 0.00 C ATOM 1067 C ASP A 73 5.473 -3.670 -1.720 1.00 0.00 C ATOM 1068 O ASP A 73 4.618 -2.839 -2.023 1.00 0.00 O ATOM 1069 CB ASP A 73 7.747 -2.732 -2.179 1.00 0.00 C ATOM 1070 CG ASP A 73 9.072 -2.894 -2.899 1.00 0.00 C ATOM 1071 OD1 ASP A 73 9.141 -2.554 -4.098 1.00 0.00 O ATOM 1072 OD2 ASP A 73 10.039 -3.362 -2.262 1.00 0.00 O ATOM 0 H ASP A 73 5.936 -2.937 -4.270 1.00 0.00 H new ATOM 0 HA ASP A 73 7.181 -4.799 -2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.323 -1.757 -2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.917 -2.749 -1.103 1.00 0.00 H new ATOM 1077 N VAL A 74 5.357 -4.478 -0.670 1.00 0.00 N ATOM 1078 CA VAL A 74 4.191 -4.431 0.205 1.00 0.00 C ATOM 1079 C VAL A 74 4.404 -3.448 1.351 1.00 0.00 C ATOM 1080 O VAL A 74 5.418 -3.499 2.047 1.00 0.00 O ATOM 1081 CB VAL A 74 3.870 -5.820 0.787 1.00 0.00 C ATOM 1082 CG1 VAL A 74 2.525 -5.803 1.498 1.00 0.00 C ATOM 1083 CG2 VAL A 74 3.889 -6.874 -0.310 1.00 0.00 C ATOM 0 H VAL A 74 6.056 -5.172 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 74 3.351 -4.098 -0.404 1.00 0.00 H new ATOM 0 HB VAL A 74 4.637 -6.075 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.315 -6.793 1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.552 -5.077 2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.743 -5.527 0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.660 -7.850 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.144 -6.626 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.877 -6.903 -0.770 1.00 0.00 H new ATOM 1093 N VAL A 75 3.440 -2.553 1.543 1.00 0.00 N ATOM 1094 CA VAL A 75 3.520 -1.559 2.606 1.00 0.00 C ATOM 1095 C VAL A 75 2.208 -1.473 3.378 1.00 0.00 C ATOM 1096 O VAL A 75 1.137 -1.744 2.836 1.00 0.00 O ATOM 1097 CB VAL A 75 3.867 -0.166 2.047 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.337 0.755 3.162 1.00 0.00 C ATOM 1099 CG2 VAL A 75 4.920 -0.277 0.956 1.00 0.00 C ATOM 0 H VAL A 75 2.594 -2.496 0.976 1.00 0.00 H new ATOM 0 HA VAL A 75 4.314 -1.880 3.280 1.00 0.00 H new ATOM 0 HB VAL A 75 2.967 0.265 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.578 1.734 2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.546 0.859 3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.224 0.332 3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.153 0.716 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.823 -0.728 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.540 -0.899 0.145 1.00 0.00 H new ATOM 1109 N LYS A 76 2.300 -1.093 4.648 1.00 0.00 N ATOM 1110 CA LYS A 76 1.121 -0.969 5.497 1.00 0.00 C ATOM 1111 C LYS A 76 0.333 0.291 5.152 1.00 0.00 C ATOM 1112 O LYS A 76 0.887 1.297 4.709 1.00 0.00 O ATOM 1113 CB LYS A 76 1.529 -0.940 6.971 1.00 0.00 C ATOM 1114 CG LYS A 76 2.016 -2.281 7.493 1.00 0.00 C ATOM 1115 CD LYS A 76 2.241 -2.246 8.995 1.00 0.00 C ATOM 1116 CE LYS A 76 2.801 -3.565 9.506 1.00 0.00 C ATOM 1117 NZ LYS A 76 2.878 -3.597 10.993 1.00 0.00 N ATOM 0 H LYS A 76 3.179 -0.865 5.112 1.00 0.00 H new ATOM 0 HA LYS A 76 0.484 -1.835 5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.317 -0.199 7.107 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.678 -0.614 7.569 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.286 -3.053 7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.945 -2.552 6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.929 -1.437 9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.300 -2.029 9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.173 -4.385 9.157 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.795 -3.724 9.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.265 -4.512 11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.497 -2.830 11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.926 -3.471 11.393 1.00 0.00 H new ATOM 1131 N PRO A 77 -0.991 0.238 5.361 1.00 0.00 N ATOM 1132 CA PRO A 77 -1.882 1.368 5.081 1.00 0.00 C ATOM 1133 C PRO A 77 -1.676 2.524 6.054 1.00 0.00 C ATOM 1134 O PRO A 77 -2.303 3.575 5.925 1.00 0.00 O ATOM 1135 CB PRO A 77 -3.280 0.768 5.253 1.00 0.00 C ATOM 1136 CG PRO A 77 -3.088 -0.380 6.183 1.00 0.00 C ATOM 1137 CD PRO A 77 -1.719 -0.928 5.888 1.00 0.00 C ATOM 0 HA PRO A 77 -1.703 1.793 4.093 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.976 1.499 5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.690 0.439 4.298 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.164 -0.058 7.222 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.854 -1.140 6.028 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.244 -1.327 6.784 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.759 -1.739 5.161 1.00 0.00 H new ATOM 1145 N ALA A 78 -0.794 2.322 7.027 1.00 0.00 N ATOM 1146 CA ALA A 78 -0.504 3.350 8.020 1.00 0.00 C ATOM 1147 C ALA A 78 0.406 4.429 7.443 1.00 0.00 C ATOM 1148 O ALA A 78 0.112 5.620 7.545 1.00 0.00 O ATOM 1149 CB ALA A 78 0.131 2.726 9.254 1.00 0.00 C ATOM 0 H ALA A 78 -0.268 1.457 7.149 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.445 3.820 8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.342 3.504 9.987 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.554 1.997 9.686 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.060 2.230 8.974 1.00 0.00 H new ATOM 1155 N TRP A 79 1.510 4.005 6.839 1.00 0.00 N ATOM 1156 CA TRP A 79 2.463 4.937 6.247 1.00 0.00 C ATOM 1157 C TRP A 79 1.740 6.055 5.502 1.00 0.00 C ATOM 1158 O TRP A 79 2.149 7.215 5.555 1.00 0.00 O ATOM 1159 CB TRP A 79 3.405 4.199 5.294 1.00 0.00 C ATOM 1160 CG TRP A 79 4.024 5.091 4.261 1.00 0.00 C ATOM 1161 CD1 TRP A 79 4.859 6.149 4.486 1.00 0.00 C ATOM 1162 CD2 TRP A 79 3.855 5.005 2.842 1.00 0.00 C ATOM 1163 NE1 TRP A 79 5.219 6.725 3.291 1.00 0.00 N ATOM 1164 CE2 TRP A 79 4.617 6.041 2.268 1.00 0.00 C ATOM 1165 CE3 TRP A 79 3.136 4.152 2.001 1.00 0.00 C ATOM 1166 CZ2 TRP A 79 4.678 6.246 0.892 1.00 0.00 C ATOM 1167 CZ3 TRP A 79 3.197 4.357 0.635 1.00 0.00 C ATOM 1168 CH2 TRP A 79 3.964 5.396 0.092 1.00 0.00 C ATOM 0 H TRP A 79 1.768 3.022 6.746 1.00 0.00 H new ATOM 0 HA TRP A 79 3.047 5.381 7.053 1.00 0.00 H new ATOM 0 HB2 TRP A 79 4.196 3.723 5.873 1.00 0.00 H new ATOM 0 HB3 TRP A 79 2.853 3.403 4.793 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.188 6.483 5.459 1.00 0.00 H new ATOM 0 HE1 TRP A 79 5.835 7.531 3.183 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.543 3.347 2.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 5.268 7.047 0.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 2.644 3.705 -0.025 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.992 5.529 -0.979 1.00 0.00 H new ATOM 1179 N LEU A 80 0.664 5.699 4.809 1.00 0.00 N ATOM 1180 CA LEU A 80 -0.116 6.672 4.054 1.00 0.00 C ATOM 1181 C LEU A 80 -0.590 7.808 4.955 1.00 0.00 C ATOM 1182 O LEU A 80 -0.574 8.975 4.562 1.00 0.00 O ATOM 1183 CB LEU A 80 -1.319 5.992 3.397 1.00 0.00 C ATOM 1184 CG LEU A 80 -1.008 5.081 2.209 1.00 0.00 C ATOM 1185 CD1 LEU A 80 -2.217 4.226 1.862 1.00 0.00 C ATOM 1186 CD2 LEU A 80 -0.570 5.903 1.006 1.00 0.00 C ATOM 0 H LEU A 80 0.312 4.743 4.755 1.00 0.00 H new ATOM 0 HA LEU A 80 0.525 7.091 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.837 5.404 4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.012 6.765 3.065 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.188 4.419 2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.977 3.584 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.485 3.609 2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.056 4.871 1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.353 5.238 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.368 6.590 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.325 6.471 1.260 1.00 0.00 H new ATOM 1198 N LEU A 81 -1.008 7.460 6.167 1.00 0.00 N ATOM 1199 CA LEU A 81 -1.484 8.450 7.126 1.00 0.00 C ATOM 1200 C LEU A 81 -0.435 9.533 7.356 1.00 0.00 C ATOM 1201 O LEU A 81 -0.727 10.724 7.254 1.00 0.00 O ATOM 1202 CB LEU A 81 -1.837 7.776 8.453 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.118 6.941 8.462 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.317 6.283 9.818 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -4.320 7.805 8.105 1.00 0.00 C ATOM 0 H LEU A 81 -1.027 6.499 6.509 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.378 8.917 6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.006 7.133 8.743 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.925 8.548 9.217 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.023 6.157 7.711 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.234 5.693 9.805 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.470 5.632 10.035 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.391 7.051 10.588 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.223 7.195 8.116 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.418 8.611 8.832 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.181 8.229 7.110 1.00 0.00 H new ATOM 1217 N GLU A 82 0.787 9.111 7.665 1.00 0.00 N ATOM 1218 CA GLU A 82 1.879 10.046 7.908 1.00 0.00 C ATOM 1219 C GLU A 82 1.891 11.153 6.858 1.00 0.00 C ATOM 1220 O GLU A 82 2.368 12.260 7.113 1.00 0.00 O ATOM 1221 CB GLU A 82 3.220 9.310 7.903 1.00 0.00 C ATOM 1222 CG GLU A 82 3.524 8.591 9.207 1.00 0.00 C ATOM 1223 CD GLU A 82 3.414 9.501 10.414 1.00 0.00 C ATOM 1224 OE1 GLU A 82 4.095 10.548 10.433 1.00 0.00 O ATOM 1225 OE2 GLU A 82 2.647 9.166 11.341 1.00 0.00 O ATOM 0 H GLU A 82 1.045 8.128 7.753 1.00 0.00 H new ATOM 0 HA GLU A 82 1.724 10.499 8.887 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.224 8.585 7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.017 10.025 7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.837 7.753 9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.530 8.174 9.162 1.00 0.00 H new ATOM 1232 N CYS A 83 1.363 10.847 5.678 1.00 0.00 N ATOM 1233 CA CYS A 83 1.314 11.815 4.588 1.00 0.00 C ATOM 1234 C CYS A 83 0.082 12.707 4.709 1.00 0.00 C ATOM 1235 O CYS A 83 0.132 13.898 4.398 1.00 0.00 O ATOM 1236 CB CYS A 83 1.307 11.096 3.239 1.00 0.00 C ATOM 1237 SG CYS A 83 2.353 9.622 3.183 1.00 0.00 S ATOM 0 H CYS A 83 0.963 9.936 5.452 1.00 0.00 H new ATOM 0 HA CYS A 83 2.203 12.442 4.652 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.283 10.811 2.996 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.636 11.792 2.467 1.00 0.00 H new ATOM 0 HG CYS A 83 2.099 8.870 4.213 1.00 0.00 H new ATOM 1243 N PHE A 84 -1.023 12.124 5.161 1.00 0.00 N ATOM 1244 CA PHE A 84 -2.269 12.865 5.320 1.00 0.00 C ATOM 1245 C PHE A 84 -2.171 13.849 6.482 1.00 0.00 C ATOM 1246 O PHE A 84 -2.925 14.819 6.554 1.00 0.00 O ATOM 1247 CB PHE A 84 -3.434 11.901 5.550 1.00 0.00 C ATOM 1248 CG PHE A 84 -3.549 10.837 4.496 1.00 0.00 C ATOM 1249 CD1 PHE A 84 -3.178 11.097 3.187 1.00 0.00 C ATOM 1250 CD2 PHE A 84 -4.027 9.576 4.815 1.00 0.00 C ATOM 1251 CE1 PHE A 84 -3.283 10.120 2.215 1.00 0.00 C ATOM 1252 CE2 PHE A 84 -4.134 8.595 3.847 1.00 0.00 C ATOM 1253 CZ PHE A 84 -3.761 8.867 2.546 1.00 0.00 C ATOM 0 H PHE A 84 -1.081 11.140 5.424 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.448 13.428 4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.315 11.425 6.523 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.364 12.469 5.584 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.802 12.074 2.923 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.319 9.357 5.831 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.992 10.336 1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.509 7.617 4.108 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.843 8.102 1.788 1.00 0.00 H new ATOM 1263 N LYS A 85 -1.236 13.591 7.391 1.00 0.00 N ATOM 1264 CA LYS A 85 -1.038 14.453 8.550 1.00 0.00 C ATOM 1265 C LYS A 85 0.065 15.474 8.286 1.00 0.00 C ATOM 1266 O LYS A 85 -0.008 16.614 8.745 1.00 0.00 O ATOM 1267 CB LYS A 85 -0.687 13.614 9.781 1.00 0.00 C ATOM 1268 CG LYS A 85 0.007 14.403 10.877 1.00 0.00 C ATOM 1269 CD LYS A 85 -0.353 13.877 12.256 1.00 0.00 C ATOM 1270 CE LYS A 85 -1.551 14.614 12.838 1.00 0.00 C ATOM 1271 NZ LYS A 85 -2.835 13.943 12.493 1.00 0.00 N ATOM 0 H LYS A 85 -0.604 12.792 7.347 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.968 14.989 8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.600 13.175 10.183 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.044 12.788 9.476 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.087 14.350 10.737 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.273 15.454 10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.575 12.812 12.194 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.502 13.986 12.923 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.451 14.671 13.922 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.564 15.638 12.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.597 14.324 13.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.060 14.117 11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.746 12.920 12.655 1.00 0.00 H new ATOM 1285 N THR A 86 1.085 15.058 7.543 1.00 0.00 N ATOM 1286 CA THR A 86 2.202 15.936 7.218 1.00 0.00 C ATOM 1287 C THR A 86 2.092 16.461 5.791 1.00 0.00 C ATOM 1288 O THR A 86 2.955 17.204 5.323 1.00 0.00 O ATOM 1289 CB THR A 86 3.552 15.212 7.383 1.00 0.00 C ATOM 1290 OG1 THR A 86 3.776 14.334 6.275 1.00 0.00 O ATOM 1291 CG2 THR A 86 3.585 14.418 8.680 1.00 0.00 C ATOM 0 H THR A 86 1.161 14.118 7.155 1.00 0.00 H new ATOM 0 HA THR A 86 2.159 16.773 7.915 1.00 0.00 H new ATOM 0 HB THR A 86 4.341 15.964 7.415 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.131 13.596 6.307 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.548 13.916 8.775 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.444 15.093 9.524 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.787 13.675 8.672 1.00 0.00 H new ATOM 1299 N LYS A 87 1.024 16.072 5.103 1.00 0.00 N ATOM 1300 CA LYS A 87 0.798 16.505 3.730 1.00 0.00 C ATOM 1301 C LYS A 87 2.111 16.565 2.956 1.00 0.00 C ATOM 1302 O LYS A 87 2.365 17.517 2.218 1.00 0.00 O ATOM 1303 CB LYS A 87 0.119 17.876 3.711 1.00 0.00 C ATOM 1304 CG LYS A 87 -1.387 17.812 3.891 1.00 0.00 C ATOM 1305 CD LYS A 87 -1.774 17.834 5.360 1.00 0.00 C ATOM 1306 CE LYS A 87 -3.276 17.674 5.544 1.00 0.00 C ATOM 1307 NZ LYS A 87 -4.000 18.959 5.336 1.00 0.00 N ATOM 0 H LYS A 87 0.301 15.457 5.475 1.00 0.00 H new ATOM 0 HA LYS A 87 0.145 15.777 3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.545 18.494 4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.343 18.370 2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.852 18.654 3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.772 16.904 3.426 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.255 17.033 5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.449 18.773 5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.650 16.928 4.843 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.481 17.300 6.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.020 18.808 5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.661 19.663 6.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.825 19.304 4.371 1.00 0.00 H new ATOM 1321 N SER A 88 2.942 15.542 3.128 1.00 0.00 N ATOM 1322 CA SER A 88 4.230 15.480 2.447 1.00 0.00 C ATOM 1323 C SER A 88 4.570 14.044 2.058 1.00 0.00 C ATOM 1324 O SER A 88 3.974 13.093 2.565 1.00 0.00 O ATOM 1325 CB SER A 88 5.331 16.053 3.340 1.00 0.00 C ATOM 1326 OG SER A 88 6.376 16.615 2.565 1.00 0.00 O ATOM 0 H SER A 88 2.746 14.745 3.733 1.00 0.00 H new ATOM 0 HA SER A 88 4.162 16.078 1.538 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.911 16.815 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.731 15.266 3.979 1.00 0.00 H new ATOM 0 HG SER A 88 7.066 16.976 3.160 1.00 0.00 H new ATOM 1332 N PHE A 89 5.533 13.895 1.155 1.00 0.00 N ATOM 1333 CA PHE A 89 5.954 12.576 0.696 1.00 0.00 C ATOM 1334 C PHE A 89 6.864 11.908 1.723 1.00 0.00 C ATOM 1335 O PHE A 89 8.075 12.131 1.735 1.00 0.00 O ATOM 1336 CB PHE A 89 6.678 12.687 -0.647 1.00 0.00 C ATOM 1337 CG PHE A 89 6.534 11.464 -1.508 1.00 0.00 C ATOM 1338 CD1 PHE A 89 7.335 10.353 -1.295 1.00 0.00 C ATOM 1339 CD2 PHE A 89 5.599 11.425 -2.530 1.00 0.00 C ATOM 1340 CE1 PHE A 89 7.205 9.226 -2.085 1.00 0.00 C ATOM 1341 CE2 PHE A 89 5.465 10.301 -3.322 1.00 0.00 C ATOM 1342 CZ PHE A 89 6.269 9.201 -3.101 1.00 0.00 C ATOM 0 H PHE A 89 6.037 14.671 0.726 1.00 0.00 H new ATOM 0 HA PHE A 89 5.063 11.961 0.571 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.292 13.551 -1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.737 12.872 -0.466 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.069 10.368 -0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.968 12.283 -2.709 1.00 0.00 H new ATOM 0 HE1 PHE A 89 7.834 8.366 -1.908 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.731 10.283 -4.114 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.167 8.323 -3.721 1.00 0.00 H new ATOM 1352 N VAL A 90 6.271 11.087 2.585 1.00 0.00 N ATOM 1353 CA VAL A 90 7.027 10.385 3.615 1.00 0.00 C ATOM 1354 C VAL A 90 7.729 9.159 3.043 1.00 0.00 C ATOM 1355 O VAL A 90 7.160 8.395 2.264 1.00 0.00 O ATOM 1356 CB VAL A 90 6.116 9.946 4.778 1.00 0.00 C ATOM 1357 CG1 VAL A 90 6.948 9.433 5.943 1.00 0.00 C ATOM 1358 CG2 VAL A 90 5.221 11.095 5.216 1.00 0.00 C ATOM 0 H VAL A 90 5.270 10.892 2.590 1.00 0.00 H new ATOM 0 HA VAL A 90 7.774 11.084 3.991 1.00 0.00 H new ATOM 0 HB VAL A 90 5.479 9.132 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.288 9.128 6.755 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.542 8.579 5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.611 10.224 6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.584 10.767 6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.838 11.931 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.599 11.411 4.379 1.00 0.00 H new ATOM 1368 N PRO A 91 8.996 8.965 3.438 1.00 0.00 N ATOM 1369 CA PRO A 91 9.804 7.832 2.977 1.00 0.00 C ATOM 1370 C PRO A 91 9.320 6.504 3.549 1.00 0.00 C ATOM 1371 O PRO A 91 8.332 6.457 4.282 1.00 0.00 O ATOM 1372 CB PRO A 91 11.205 8.160 3.500 1.00 0.00 C ATOM 1373 CG PRO A 91 10.973 9.040 4.680 1.00 0.00 C ATOM 1374 CD PRO A 91 9.737 9.837 4.365 1.00 0.00 C ATOM 0 HA PRO A 91 9.755 7.710 1.895 1.00 0.00 H new ATOM 0 HB2 PRO A 91 11.744 7.255 3.781 1.00 0.00 H new ATOM 0 HB3 PRO A 91 11.803 8.665 2.741 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.836 8.450 5.586 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.827 9.695 4.852 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.158 10.053 5.263 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.982 10.795 3.906 1.00 0.00 H new ATOM 1382 N TRP A 92 10.020 5.429 3.209 1.00 0.00 N ATOM 1383 CA TRP A 92 9.660 4.099 3.689 1.00 0.00 C ATOM 1384 C TRP A 92 10.278 3.829 5.056 1.00 0.00 C ATOM 1385 O TRP A 92 11.395 4.262 5.338 1.00 0.00 O ATOM 1386 CB TRP A 92 10.115 3.033 2.690 1.00 0.00 C ATOM 1387 CG TRP A 92 9.138 2.808 1.576 1.00 0.00 C ATOM 1388 CD1 TRP A 92 7.784 2.980 1.626 1.00 0.00 C ATOM 1389 CD2 TRP A 92 9.440 2.368 0.248 1.00 0.00 C ATOM 1390 NE1 TRP A 92 7.226 2.673 0.409 1.00 0.00 N ATOM 1391 CE2 TRP A 92 8.221 2.296 -0.454 1.00 0.00 C ATOM 1392 CE3 TRP A 92 10.621 2.030 -0.418 1.00 0.00 C ATOM 1393 CZ2 TRP A 92 8.152 1.898 -1.787 1.00 0.00 C ATOM 1394 CZ3 TRP A 92 10.551 1.635 -1.740 1.00 0.00 C ATOM 1395 CH2 TRP A 92 9.324 1.572 -2.414 1.00 0.00 C ATOM 0 H TRP A 92 10.840 5.451 2.603 1.00 0.00 H new ATOM 0 HA TRP A 92 8.575 4.056 3.786 1.00 0.00 H new ATOM 0 HB2 TRP A 92 11.076 3.328 2.267 1.00 0.00 H new ATOM 0 HB3 TRP A 92 10.274 2.094 3.219 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.233 3.309 2.495 1.00 0.00 H new ATOM 0 HE1 TRP A 92 6.232 2.718 0.184 1.00 0.00 H new ATOM 0 HE3 TRP A 92 11.572 2.077 0.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 7.207 1.848 -2.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 11.458 1.370 -2.263 1.00 0.00 H new ATOM 0 HH2 TRP A 92 9.303 1.260 -3.448 1.00 0.00 H new ATOM 1406 N GLN A 93 9.545 3.111 5.901 1.00 0.00 N ATOM 1407 CA GLN A 93 10.023 2.784 7.239 1.00 0.00 C ATOM 1408 C GLN A 93 9.953 1.281 7.490 1.00 0.00 C ATOM 1409 O GLN A 93 9.170 0.560 6.872 1.00 0.00 O ATOM 1410 CB GLN A 93 9.201 3.528 8.293 1.00 0.00 C ATOM 1411 CG GLN A 93 9.488 5.020 8.347 1.00 0.00 C ATOM 1412 CD GLN A 93 10.972 5.329 8.330 1.00 0.00 C ATOM 1413 OE1 GLN A 93 11.787 4.546 8.820 1.00 0.00 O ATOM 1414 NE2 GLN A 93 11.332 6.476 7.765 1.00 0.00 N ATOM 0 H GLN A 93 8.618 2.745 5.683 1.00 0.00 H new ATOM 0 HA GLN A 93 11.064 3.098 7.312 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.141 3.378 8.088 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.401 3.092 9.272 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.009 5.509 7.499 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.044 5.439 9.250 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.623 7.095 7.371 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.317 6.738 7.725 1.00 0.00 H new ATOM 1423 N PRO A 94 10.790 0.796 8.420 1.00 0.00 N ATOM 1424 CA PRO A 94 10.841 -0.625 8.774 1.00 0.00 C ATOM 1425 C PRO A 94 9.592 -1.083 9.519 1.00 0.00 C ATOM 1426 O PRO A 94 9.378 -2.279 9.714 1.00 0.00 O ATOM 1427 CB PRO A 94 12.070 -0.720 9.681 1.00 0.00 C ATOM 1428 CG PRO A 94 12.221 0.645 10.259 1.00 0.00 C ATOM 1429 CD PRO A 94 11.750 1.599 9.196 1.00 0.00 C ATOM 0 HA PRO A 94 10.894 -1.263 7.892 1.00 0.00 H new ATOM 0 HB2 PRO A 94 11.929 -1.467 10.462 1.00 0.00 H new ATOM 0 HB3 PRO A 94 12.956 -1.012 9.117 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.630 0.751 11.169 1.00 0.00 H new ATOM 0 HG3 PRO A 94 13.259 0.842 10.528 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.279 2.482 9.628 1.00 0.00 H new ATOM 0 HD3 PRO A 94 12.575 1.949 8.576 1.00 0.00 H new ATOM 1437 N ARG A 95 8.771 -0.123 9.934 1.00 0.00 N ATOM 1438 CA ARG A 95 7.544 -0.428 10.658 1.00 0.00 C ATOM 1439 C ARG A 95 6.338 -0.392 9.724 1.00 0.00 C ATOM 1440 O ARG A 95 5.268 -0.904 10.055 1.00 0.00 O ATOM 1441 CB ARG A 95 7.344 0.564 11.806 1.00 0.00 C ATOM 1442 CG ARG A 95 7.361 2.018 11.364 1.00 0.00 C ATOM 1443 CD ARG A 95 7.112 2.958 12.532 1.00 0.00 C ATOM 1444 NE ARG A 95 7.594 4.310 12.259 1.00 0.00 N ATOM 1445 CZ ARG A 95 7.282 5.365 13.004 1.00 0.00 C ATOM 1446 NH1 ARG A 95 6.494 5.226 14.061 1.00 0.00 N ATOM 1447 NH2 ARG A 95 7.759 6.563 12.691 1.00 0.00 N ATOM 0 H ARG A 95 8.934 0.872 9.781 1.00 0.00 H new ATOM 0 HA ARG A 95 7.634 -1.434 11.068 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.393 0.353 12.296 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.127 0.410 12.549 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.324 2.250 10.908 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.600 2.176 10.600 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.044 2.991 12.750 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.607 2.569 13.422 1.00 0.00 H new ATOM 0 HE ARG A 95 8.203 4.452 11.453 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.125 4.307 14.305 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.257 6.038 14.631 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.365 6.674 11.878 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.519 7.373 13.263 1.00 0.00 H new ATOM 1461 N PHE A 96 6.518 0.217 8.557 1.00 0.00 N ATOM 1462 CA PHE A 96 5.444 0.322 7.576 1.00 0.00 C ATOM 1463 C PHE A 96 5.602 -0.732 6.483 1.00 0.00 C ATOM 1464 O PHE A 96 4.621 -1.316 6.024 1.00 0.00 O ATOM 1465 CB PHE A 96 5.428 1.719 6.953 1.00 0.00 C ATOM 1466 CG PHE A 96 5.301 2.824 7.963 1.00 0.00 C ATOM 1467 CD1 PHE A 96 4.564 2.639 9.122 1.00 0.00 C ATOM 1468 CD2 PHE A 96 5.917 4.047 7.753 1.00 0.00 C ATOM 1469 CE1 PHE A 96 4.445 3.654 10.053 1.00 0.00 C ATOM 1470 CE2 PHE A 96 5.802 5.064 8.681 1.00 0.00 C ATOM 1471 CZ PHE A 96 5.064 4.868 9.832 1.00 0.00 C ATOM 0 H PHE A 96 7.397 0.645 8.267 1.00 0.00 H new ATOM 0 HA PHE A 96 4.498 0.150 8.090 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.345 1.864 6.381 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.599 1.784 6.248 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.077 1.691 9.300 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.493 4.207 6.854 1.00 0.00 H new ATOM 0 HE1 PHE A 96 3.868 3.497 10.953 1.00 0.00 H new ATOM 0 HE2 PHE A 96 6.289 6.012 8.507 1.00 0.00 H new ATOM 0 HZ PHE A 96 4.971 5.663 10.557 1.00 0.00 H new ATOM 1481 N MET A 97 6.843 -0.969 6.072 1.00 0.00 N ATOM 1482 CA MET A 97 7.130 -1.952 5.034 1.00 0.00 C ATOM 1483 C MET A 97 6.963 -3.371 5.569 1.00 0.00 C ATOM 1484 O MET A 97 7.337 -3.664 6.705 1.00 0.00 O ATOM 1485 CB MET A 97 8.549 -1.760 4.498 1.00 0.00 C ATOM 1486 CG MET A 97 8.837 -0.341 4.035 1.00 0.00 C ATOM 1487 SD MET A 97 8.032 0.056 2.471 1.00 0.00 S ATOM 1488 CE MET A 97 8.978 -0.957 1.336 1.00 0.00 C ATOM 0 H MET A 97 7.666 -0.494 6.442 1.00 0.00 H new ATOM 0 HA MET A 97 6.420 -1.803 4.221 1.00 0.00 H new ATOM 0 HB2 MET A 97 9.262 -2.031 5.276 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.710 -2.445 3.665 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.504 0.361 4.799 1.00 0.00 H new ATOM 0 HG3 MET A 97 9.914 -0.209 3.929 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.975 -0.496 0.348 1.00 0.00 H new ATOM 0 HE2 MET A 97 10.004 -1.042 1.693 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.531 -1.949 1.275 1.00 0.00 H new ATOM 1498 N ILE A 98 6.400 -4.248 4.744 1.00 0.00 N ATOM 1499 CA ILE A 98 6.186 -5.635 5.135 1.00 0.00 C ATOM 1500 C ILE A 98 7.069 -6.578 4.324 1.00 0.00 C ATOM 1501 O ILE A 98 7.574 -7.574 4.843 1.00 0.00 O ATOM 1502 CB ILE A 98 4.713 -6.049 4.956 1.00 0.00 C ATOM 1503 CG1 ILE A 98 3.805 -5.170 5.818 1.00 0.00 C ATOM 1504 CG2 ILE A 98 4.529 -7.518 5.309 1.00 0.00 C ATOM 1505 CD1 ILE A 98 2.364 -5.158 5.360 1.00 0.00 C ATOM 0 H ILE A 98 6.084 -4.022 3.801 1.00 0.00 H new ATOM 0 HA ILE A 98 6.451 -5.710 6.190 1.00 0.00 H new ATOM 0 HB ILE A 98 4.436 -5.909 3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.847 -5.520 6.849 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.188 -4.150 5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.483 -7.796 5.178 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.152 -8.130 4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.820 -7.682 6.346 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.779 -4.515 6.017 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.310 -4.780 4.339 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.963 -6.171 5.393 1.00 0.00 H new ATOM 1517 N HIS A 99 7.254 -6.255 3.048 1.00 0.00 N ATOM 1518 CA HIS A 99 8.080 -7.072 2.165 1.00 0.00 C ATOM 1519 C HIS A 99 8.801 -6.203 1.139 1.00 0.00 C ATOM 1520 O HIS A 99 8.190 -5.352 0.493 1.00 0.00 O ATOM 1521 CB HIS A 99 7.221 -8.117 1.452 1.00 0.00 C ATOM 1522 CG HIS A 99 8.017 -9.094 0.643 1.00 0.00 C ATOM 1523 ND1 HIS A 99 8.494 -10.283 1.154 1.00 0.00 N ATOM 1524 CD2 HIS A 99 8.416 -9.055 -0.650 1.00 0.00 C ATOM 1525 CE1 HIS A 99 9.155 -10.931 0.212 1.00 0.00 C ATOM 1526 NE2 HIS A 99 9.122 -10.208 -0.893 1.00 0.00 N ATOM 0 H HIS A 99 6.844 -5.434 2.602 1.00 0.00 H new ATOM 0 HA HIS A 99 8.827 -7.581 2.774 1.00 0.00 H new ATOM 0 HB2 HIS A 99 6.637 -8.662 2.193 1.00 0.00 H new ATOM 0 HB3 HIS A 99 6.512 -7.608 0.798 1.00 0.00 H new ATOM 0 HD2 HIS A 99 8.216 -8.265 -1.358 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.640 -11.889 0.326 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.551 -10.464 -1.782 1.00 0.00 H new ATOM 1534 N MET A 100 10.103 -6.424 0.994 1.00 0.00 N ATOM 1535 CA MET A 100 10.907 -5.662 0.046 1.00 0.00 C ATOM 1536 C MET A 100 11.875 -6.573 -0.703 1.00 0.00 C ATOM 1537 O MET A 100 12.507 -7.446 -0.107 1.00 0.00 O ATOM 1538 CB MET A 100 11.683 -4.561 0.772 1.00 0.00 C ATOM 1539 CG MET A 100 10.843 -3.784 1.773 1.00 0.00 C ATOM 1540 SD MET A 100 10.746 -4.599 3.378 1.00 0.00 S ATOM 1541 CE MET A 100 11.964 -3.668 4.305 1.00 0.00 C ATOM 0 H MET A 100 10.624 -7.125 1.521 1.00 0.00 H new ATOM 0 HA MET A 100 10.233 -5.205 -0.678 1.00 0.00 H new ATOM 0 HB2 MET A 100 12.531 -5.007 1.291 1.00 0.00 H new ATOM 0 HB3 MET A 100 12.089 -3.868 0.035 1.00 0.00 H new ATOM 0 HG2 MET A 100 11.266 -2.788 1.901 1.00 0.00 H new ATOM 0 HG3 MET A 100 9.837 -3.654 1.374 1.00 0.00 H new ATOM 0 HE1 MET A 100 12.020 -4.055 5.322 1.00 0.00 H new ATOM 0 HE2 MET A 100 12.938 -3.765 3.825 1.00 0.00 H new ATOM 0 HE3 MET A 100 11.676 -2.617 4.332 1.00 0.00 H new ATOM 1551 N CYS A 101 11.984 -6.365 -2.010 1.00 0.00 N ATOM 1552 CA CYS A 101 12.874 -7.169 -2.840 1.00 0.00 C ATOM 1553 C CYS A 101 14.230 -7.350 -2.166 1.00 0.00 C ATOM 1554 O CYS A 101 14.609 -6.600 -1.266 1.00 0.00 O ATOM 1555 CB CYS A 101 13.055 -6.516 -4.211 1.00 0.00 C ATOM 1556 SG CYS A 101 11.826 -7.021 -5.438 1.00 0.00 S ATOM 0 H CYS A 101 11.468 -5.647 -2.518 1.00 0.00 H new ATOM 0 HA CYS A 101 12.420 -8.151 -2.971 1.00 0.00 H new ATOM 0 HB2 CYS A 101 13.012 -5.433 -4.094 1.00 0.00 H new ATOM 0 HB3 CYS A 101 14.049 -6.757 -4.588 1.00 0.00 H new ATOM 0 HG CYS A 101 12.062 -6.414 -6.563 1.00 0.00 H new ATOM 1562 N PRO A 102 14.980 -8.371 -2.609 1.00 0.00 N ATOM 1563 CA PRO A 102 16.305 -8.675 -2.062 1.00 0.00 C ATOM 1564 C PRO A 102 17.343 -7.622 -2.436 1.00 0.00 C ATOM 1565 O PRO A 102 18.459 -7.624 -1.916 1.00 0.00 O ATOM 1566 CB PRO A 102 16.654 -10.020 -2.704 1.00 0.00 C ATOM 1567 CG PRO A 102 15.864 -10.053 -3.967 1.00 0.00 C ATOM 1568 CD PRO A 102 14.592 -9.305 -3.679 1.00 0.00 C ATOM 0 HA PRO A 102 16.300 -8.695 -0.972 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.723 -10.098 -2.903 1.00 0.00 H new ATOM 0 HB3 PRO A 102 16.390 -10.851 -2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 102 16.415 -9.587 -4.784 1.00 0.00 H new ATOM 0 HG3 PRO A 102 15.654 -11.079 -4.269 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.228 -8.777 -4.560 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.795 -9.976 -3.357 1.00 0.00 H new ATOM 1576 N SER A 103 16.967 -6.723 -3.340 1.00 0.00 N ATOM 1577 CA SER A 103 17.867 -5.665 -3.786 1.00 0.00 C ATOM 1578 C SER A 103 17.645 -4.388 -2.982 1.00 0.00 C ATOM 1579 O SER A 103 18.537 -3.547 -2.870 1.00 0.00 O ATOM 1580 CB SER A 103 17.661 -5.386 -5.276 1.00 0.00 C ATOM 1581 OG SER A 103 18.644 -4.492 -5.768 1.00 0.00 O ATOM 0 H SER A 103 16.046 -6.706 -3.778 1.00 0.00 H new ATOM 0 HA SER A 103 18.891 -6.001 -3.625 1.00 0.00 H new ATOM 0 HB2 SER A 103 17.704 -6.322 -5.834 1.00 0.00 H new ATOM 0 HB3 SER A 103 16.669 -4.965 -5.436 1.00 0.00 H new ATOM 0 HG SER A 103 18.491 -4.331 -6.723 1.00 0.00 H new ATOM 1587 N THR A 104 16.447 -4.249 -2.423 1.00 0.00 N ATOM 1588 CA THR A 104 16.105 -3.075 -1.630 1.00 0.00 C ATOM 1589 C THR A 104 16.239 -3.361 -0.138 1.00 0.00 C ATOM 1590 O THR A 104 16.616 -2.486 0.641 1.00 0.00 O ATOM 1591 CB THR A 104 14.670 -2.597 -1.923 1.00 0.00 C ATOM 1592 OG1 THR A 104 14.629 -1.909 -3.178 1.00 0.00 O ATOM 1593 CG2 THR A 104 14.169 -1.679 -0.818 1.00 0.00 C ATOM 0 H THR A 104 15.697 -4.935 -2.505 1.00 0.00 H new ATOM 0 HA THR A 104 16.806 -2.289 -1.911 1.00 0.00 H new ATOM 0 HB THR A 104 14.021 -3.472 -1.968 1.00 0.00 H new ATOM 0 HG1 THR A 104 13.713 -1.610 -3.357 1.00 0.00 H new ATOM 0 HG21 THR A 104 13.154 -1.354 -1.047 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.173 -2.216 0.131 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.821 -0.808 -0.745 1.00 0.00 H new ATOM 1601 N LYS A 105 15.927 -4.592 0.254 1.00 0.00 N ATOM 1602 CA LYS A 105 16.014 -4.995 1.652 1.00 0.00 C ATOM 1603 C LYS A 105 17.456 -4.938 2.146 1.00 0.00 C ATOM 1604 O LYS A 105 17.728 -4.438 3.237 1.00 0.00 O ATOM 1605 CB LYS A 105 15.458 -6.409 1.832 1.00 0.00 C ATOM 1606 CG LYS A 105 15.337 -6.835 3.285 1.00 0.00 C ATOM 1607 CD LYS A 105 16.612 -7.499 3.779 1.00 0.00 C ATOM 1608 CE LYS A 105 16.321 -8.526 4.863 1.00 0.00 C ATOM 1609 NZ LYS A 105 15.720 -9.768 4.302 1.00 0.00 N ATOM 0 H LYS A 105 15.611 -5.328 -0.378 1.00 0.00 H new ATOM 0 HA LYS A 105 15.418 -4.299 2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 105 14.476 -6.467 1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 105 16.104 -7.114 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 105 15.116 -5.965 3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 105 14.500 -7.525 3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 105 17.119 -7.983 2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 105 17.292 -6.741 4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 105 17.245 -8.774 5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 105 15.643 -8.095 5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 15.724 -10.514 5.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 14.741 -9.577 4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 16.275 -10.082 3.480 1.00 0.00 H new ATOM 1623 N GLU A 106 18.376 -5.452 1.335 1.00 0.00 N ATOM 1624 CA GLU A 106 19.790 -5.458 1.691 1.00 0.00 C ATOM 1625 C GLU A 106 20.230 -4.086 2.194 1.00 0.00 C ATOM 1626 O GLU A 106 20.955 -3.979 3.184 1.00 0.00 O ATOM 1627 CB GLU A 106 20.640 -5.868 0.487 1.00 0.00 C ATOM 1628 CG GLU A 106 20.880 -4.739 -0.502 1.00 0.00 C ATOM 1629 CD GLU A 106 21.871 -5.115 -1.587 1.00 0.00 C ATOM 1630 OE1 GLU A 106 21.722 -6.208 -2.172 1.00 0.00 O ATOM 1631 OE2 GLU A 106 22.794 -4.317 -1.850 1.00 0.00 O ATOM 0 H GLU A 106 18.167 -5.869 0.428 1.00 0.00 H new ATOM 0 HA GLU A 106 19.934 -6.183 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 106 21.601 -6.240 0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 106 20.150 -6.694 -0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 106 19.933 -4.456 -0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 106 21.248 -3.864 0.034 1.00 0.00 H new ATOM 1638 N HIS A 107 19.787 -3.039 1.505 1.00 0.00 N ATOM 1639 CA HIS A 107 20.135 -1.673 1.882 1.00 0.00 C ATOM 1640 C HIS A 107 19.663 -1.364 3.299 1.00 0.00 C ATOM 1641 O HIS A 107 20.282 -0.573 4.012 1.00 0.00 O ATOM 1642 CB HIS A 107 19.519 -0.678 0.898 1.00 0.00 C ATOM 1643 CG HIS A 107 19.919 0.742 1.153 1.00 0.00 C ATOM 1644 ND1 HIS A 107 21.173 1.235 0.859 1.00 0.00 N ATOM 1645 CD2 HIS A 107 19.223 1.778 1.677 1.00 0.00 C ATOM 1646 CE1 HIS A 107 21.231 2.512 1.193 1.00 0.00 C ATOM 1647 NE2 HIS A 107 20.060 2.866 1.691 1.00 0.00 N ATOM 0 H HIS A 107 19.187 -3.110 0.683 1.00 0.00 H new ATOM 0 HA HIS A 107 21.220 -1.579 1.851 1.00 0.00 H new ATOM 0 HB2 HIS A 107 19.812 -0.953 -0.115 1.00 0.00 H new ATOM 0 HB3 HIS A 107 18.433 -0.755 0.948 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.199 1.753 2.020 1.00 0.00 H new ATOM 0 HE1 HIS A 107 22.090 3.157 1.078 1.00 0.00 H new ATOM 0 HE2 HIS A 107 19.817 3.797 2.031 1.00 0.00 H new ATOM 1655 N PHE A 108 18.563 -1.991 3.701 1.00 0.00 N ATOM 1656 CA PHE A 108 18.007 -1.781 5.033 1.00 0.00 C ATOM 1657 C PHE A 108 18.809 -2.544 6.084 1.00 0.00 C ATOM 1658 O PHE A 108 19.101 -2.019 7.158 1.00 0.00 O ATOM 1659 CB PHE A 108 16.543 -2.224 5.073 1.00 0.00 C ATOM 1660 CG PHE A 108 15.576 -1.129 4.723 1.00 0.00 C ATOM 1661 CD1 PHE A 108 15.212 -0.903 3.405 1.00 0.00 C ATOM 1662 CD2 PHE A 108 15.030 -0.326 5.711 1.00 0.00 C ATOM 1663 CE1 PHE A 108 14.324 0.104 3.080 1.00 0.00 C ATOM 1664 CE2 PHE A 108 14.141 0.683 5.393 1.00 0.00 C ATOM 1665 CZ PHE A 108 13.786 0.898 4.075 1.00 0.00 C ATOM 0 H PHE A 108 18.039 -2.649 3.124 1.00 0.00 H new ATOM 0 HA PHE A 108 18.064 -0.716 5.259 1.00 0.00 H new ATOM 0 HB2 PHE A 108 16.404 -3.055 4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 108 16.312 -2.597 6.071 1.00 0.00 H new ATOM 0 HD1 PHE A 108 15.627 -1.521 2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 108 15.303 -0.491 6.743 1.00 0.00 H new ATOM 0 HE1 PHE A 108 14.050 0.271 2.049 1.00 0.00 H new ATOM 0 HE2 PHE A 108 13.724 1.303 6.173 1.00 0.00 H new ATOM 0 HZ PHE A 108 13.090 1.684 3.823 1.00 0.00 H new ATOM 1675 N ALA A 109 19.161 -3.785 5.765 1.00 0.00 N ATOM 1676 CA ALA A 109 19.930 -4.620 6.680 1.00 0.00 C ATOM 1677 C ALA A 109 21.265 -3.969 7.026 1.00 0.00 C ATOM 1678 O ALA A 109 21.821 -4.203 8.099 1.00 0.00 O ATOM 1679 CB ALA A 109 20.152 -5.998 6.076 1.00 0.00 C ATOM 0 H ALA A 109 18.926 -4.234 4.880 1.00 0.00 H new ATOM 0 HA ALA A 109 19.359 -4.728 7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 109 20.727 -6.611 6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 109 19.189 -6.472 5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 109 20.699 -5.900 5.138 1.00 0.00 H new ATOM 1685 N ARG A 110 21.775 -3.153 6.109 1.00 0.00 N ATOM 1686 CA ARG A 110 23.047 -2.471 6.317 1.00 0.00 C ATOM 1687 C ARG A 110 22.845 -1.165 7.080 1.00 0.00 C ATOM 1688 O ARG A 110 23.719 -0.732 7.829 1.00 0.00 O ATOM 1689 CB ARG A 110 23.724 -2.190 4.974 1.00 0.00 C ATOM 1690 CG ARG A 110 22.856 -1.401 4.008 1.00 0.00 C ATOM 1691 CD ARG A 110 23.624 -1.022 2.751 1.00 0.00 C ATOM 1692 NE ARG A 110 23.717 -2.135 1.810 1.00 0.00 N ATOM 1693 CZ ARG A 110 24.653 -3.075 1.873 1.00 0.00 C ATOM 1694 NH1 ARG A 110 25.572 -3.037 2.828 1.00 0.00 N ATOM 1695 NH2 ARG A 110 24.671 -4.056 0.980 1.00 0.00 N ATOM 0 H ARG A 110 21.327 -2.948 5.216 1.00 0.00 H new ATOM 0 HA ARG A 110 23.688 -3.123 6.910 1.00 0.00 H new ATOM 0 HB2 ARG A 110 24.648 -1.640 5.151 1.00 0.00 H new ATOM 0 HB3 ARG A 110 24.000 -3.137 4.511 1.00 0.00 H new ATOM 0 HG2 ARG A 110 21.981 -1.992 3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 110 22.491 -0.499 4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 110 23.133 -0.178 2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 110 24.627 -0.693 3.024 1.00 0.00 H new ATOM 0 HE ARG A 110 23.025 -2.194 1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 110 25.561 -2.285 3.517 1.00 0.00 H new ATOM 0 HH12 ARG A 110 26.290 -3.760 2.874 1.00 0.00 H new ATOM 0 HH21 ARG A 110 23.965 -4.089 0.244 1.00 0.00 H new ATOM 0 HH22 ARG A 110 25.390 -4.777 1.029 1.00 0.00 H new ATOM 1709 N GLU A 111 21.686 -0.544 6.883 1.00 0.00 N ATOM 1710 CA GLU A 111 21.371 0.713 7.552 1.00 0.00 C ATOM 1711 C GLU A 111 21.451 0.557 9.068 1.00 0.00 C ATOM 1712 O GLU A 111 22.085 1.361 9.753 1.00 0.00 O ATOM 1713 CB GLU A 111 19.975 1.194 7.151 1.00 0.00 C ATOM 1714 CG GLU A 111 19.969 2.091 5.924 1.00 0.00 C ATOM 1715 CD GLU A 111 20.329 3.527 6.250 1.00 0.00 C ATOM 1716 OE1 GLU A 111 21.450 3.759 6.750 1.00 0.00 O ATOM 1717 OE2 GLU A 111 19.491 4.420 6.007 1.00 0.00 O ATOM 0 H GLU A 111 20.951 -0.890 6.267 1.00 0.00 H new ATOM 0 HA GLU A 111 22.106 1.455 7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 111 19.342 0.327 6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 111 19.532 1.734 7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 111 20.674 1.701 5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 111 18.982 2.063 5.463 1.00 0.00 H new ATOM 1724 N TYR A 112 20.804 -0.481 9.585 1.00 0.00 N ATOM 1725 CA TYR A 112 20.799 -0.741 11.020 1.00 0.00 C ATOM 1726 C TYR A 112 22.142 -0.375 11.645 1.00 0.00 C ATOM 1727 O TYR A 112 22.202 0.380 12.614 1.00 0.00 O ATOM 1728 CB TYR A 112 20.481 -2.213 11.291 1.00 0.00 C ATOM 1729 CG TYR A 112 19.002 -2.502 11.405 1.00 0.00 C ATOM 1730 CD1 TYR A 112 18.175 -2.446 10.290 1.00 0.00 C ATOM 1731 CD2 TYR A 112 18.430 -2.830 12.629 1.00 0.00 C ATOM 1732 CE1 TYR A 112 16.822 -2.709 10.390 1.00 0.00 C ATOM 1733 CE2 TYR A 112 17.079 -3.095 12.737 1.00 0.00 C ATOM 1734 CZ TYR A 112 16.279 -3.034 11.615 1.00 0.00 C ATOM 1735 OH TYR A 112 14.932 -3.296 11.720 1.00 0.00 O ATOM 0 H TYR A 112 20.276 -1.156 9.032 1.00 0.00 H new ATOM 0 HA TYR A 112 20.027 -0.120 11.474 1.00 0.00 H new ATOM 0 HB2 TYR A 112 20.900 -2.820 10.489 1.00 0.00 H new ATOM 0 HB3 TYR A 112 20.974 -2.519 12.214 1.00 0.00 H new ATOM 0 HD1 TYR A 112 18.597 -2.193 9.329 1.00 0.00 H new ATOM 0 HD2 TYR A 112 19.053 -2.878 13.510 1.00 0.00 H new ATOM 0 HE1 TYR A 112 16.193 -2.660 9.513 1.00 0.00 H new ATOM 0 HE2 TYR A 112 16.651 -3.349 13.695 1.00 0.00 H new ATOM 0 HH TYR A 112 14.712 -3.509 12.651 1.00 0.00 H new ATOM 1745 N ASP A 113 23.216 -0.917 11.081 1.00 0.00 N ATOM 1746 CA ASP A 113 24.559 -0.647 11.580 1.00 0.00 C ATOM 1747 C ASP A 113 24.819 0.854 11.657 1.00 0.00 C ATOM 1748 O ASP A 113 24.776 1.554 10.644 1.00 0.00 O ATOM 1749 CB ASP A 113 25.603 -1.313 10.683 1.00 0.00 C ATOM 1750 CG ASP A 113 26.996 -1.265 11.280 1.00 0.00 C ATOM 1751 OD1 ASP A 113 27.197 -1.850 12.366 1.00 0.00 O ATOM 1752 OD2 ASP A 113 27.885 -0.643 10.663 1.00 0.00 O ATOM 0 H ASP A 113 23.183 -1.546 10.278 1.00 0.00 H new ATOM 0 HA ASP A 113 24.637 -1.063 12.585 1.00 0.00 H new ATOM 0 HB2 ASP A 113 25.320 -2.352 10.511 1.00 0.00 H new ATOM 0 HB3 ASP A 113 25.610 -0.820 9.711 1.00 0.00 H new TER 1757 ASP A 113