USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 824 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 55 TYR OH : rot -53:sc= 0.689 USER MOD Set 1.2: A 80 TYR OH : rot -39:sc= 1.1 USER MOD Set 2.1: A 26 THR OG1 : rot -41:sc= 0.802 USER MOD Set 2.2: A 68 HIS : no HD1:sc= 0.435 K(o=1.2,f=-4.9!) USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.658 (180deg=0.134) USER MOD Single : A 3 SER OG : rot 180:sc= -0.173 USER MOD Single : A 4 ASN : amide:sc=-0.00974 K(o=-0.0097,f=-0.92) USER MOD Single : A 6 THR OG1 : rot -170:sc= -0.156 USER MOD Single : A 12 MET CE :methyl 177:sc= -0.59 (180deg=-0.601) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.375 K(o=-0.38,f=-2.7!) USER MOD Single : A 17 TYR OH : rot 30:sc= 0.0617 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -127:sc=-0.00223 (180deg=-0.536) USER MOD Single : A 28 THR OG1 : rot 31:sc= 0.699 USER MOD Single : A 29 CYS SG : rot -105:sc= -1.2 USER MOD Single : A 34 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.1!) USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= 1.78 (180deg=1.78) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 67:sc= 1.41 USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 1.77 (180deg=1.71) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.411 USER MOD Single : A 54 HIS : no HD1:sc= -0.0346 K(o=-0.035,f=-1.7!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.656 USER MOD Single : A 65 CYS SG : rot -140:sc= -0.688 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 90:sc= 0 USER MOD Single : A 73 THR OG1 : rot -57:sc= 0.87 USER MOD Single : A 79 ASN : amide:sc= -0.024 K(o=-0.024,f=-1.9!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -121:sc= -0.0954 (180deg=-0.3) USER MOD Single : A 86 ASN : amide:sc= -2.21! C(o=-2.2!,f=-13!) USER MOD Single : A 88 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.3) USER MOD Single : A 92 SER OG : rot 180:sc= -0.0604 USER MOD Single : A 93 CYS SG : rot 122:sc= 1.36 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -164:sc= -0.0311 (180deg=-0.341) USER MOD Single : A 100 GLN : amide:sc= -0.0655 X(o=-0.065,f=-0.14) USER MOD Single : A 103 ASN : amide:sc= -0.0208 K(o=-0.021,f=-1.3!) USER MOD Single : A 104 GLN : amide:sc= -0.0827 X(o=-0.083,f=-0.18) USER MOD Single : A 108 SER OG : rot 80:sc= 0.724 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.794 8.424 -7.514 1.00 0.00 N ATOM 2 CA GLY A 1 -4.872 7.047 -7.044 1.00 0.00 C ATOM 3 C GLY A 1 -3.550 6.595 -6.439 1.00 0.00 C ATOM 4 O GLY A 1 -2.486 7.108 -6.788 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.302 8.512 -8.418 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.227 9.056 -6.811 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.797 8.689 -7.650 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.664 6.958 -6.301 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.138 6.392 -7.873 1.00 0.00 H new ATOM 10 N GLY A 2 -3.622 5.630 -5.527 1.00 0.00 N ATOM 11 CA GLY A 2 -2.455 5.214 -4.763 1.00 0.00 C ATOM 12 C GLY A 2 -2.234 6.111 -3.554 1.00 0.00 C ATOM 13 O GLY A 2 -3.179 6.698 -3.023 1.00 0.00 O ATOM 0 H GLY A 2 -4.477 5.123 -5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -2.582 4.183 -4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.572 5.238 -5.402 1.00 0.00 H new ATOM 17 N SER A 3 -0.984 6.219 -3.123 1.00 0.00 N ATOM 18 CA SER A 3 -0.622 7.117 -2.030 1.00 0.00 C ATOM 19 C SER A 3 0.690 7.837 -2.319 1.00 0.00 C ATOM 20 O SER A 3 0.697 9.025 -2.651 1.00 0.00 O ATOM 21 CB SER A 3 -0.525 6.344 -0.729 1.00 0.00 C ATOM 22 OG SER A 3 -0.169 7.168 0.347 1.00 0.00 O ATOM 0 H SER A 3 -0.201 5.695 -3.514 1.00 0.00 H new ATOM 0 HA SER A 3 -1.404 7.871 -1.937 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.482 5.867 -0.519 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.212 5.548 -0.835 1.00 0.00 H new ATOM 0 HG SER A 3 -0.118 6.633 1.166 1.00 0.00 H new ATOM 28 N ASN A 4 1.796 7.115 -2.191 1.00 0.00 N ATOM 29 CA ASN A 4 3.122 7.701 -2.366 1.00 0.00 C ATOM 30 C ASN A 4 3.292 8.940 -1.494 1.00 0.00 C ATOM 31 O ASN A 4 4.041 9.855 -1.839 1.00 0.00 O ATOM 32 CB ASN A 4 3.392 8.041 -3.821 1.00 0.00 C ATOM 33 CG ASN A 4 3.514 6.836 -4.711 1.00 0.00 C ATOM 34 OD1 ASN A 4 3.893 5.747 -4.267 1.00 0.00 O ATOM 35 ND2 ASN A 4 3.273 7.046 -5.980 1.00 0.00 N ATOM 0 H ASN A 4 1.802 6.120 -1.966 1.00 0.00 H new ATOM 0 HA ASN A 4 3.850 6.953 -2.052 1.00 0.00 H new ATOM 0 HB2 ASN A 4 2.587 8.676 -4.192 1.00 0.00 H new ATOM 0 HB3 ASN A 4 4.312 8.623 -3.884 1.00 0.00 H new ATOM 0 HD21 ASN A 4 3.396 6.291 -6.654 1.00 0.00 H new ATOM 0 HD22 ASN A 4 2.962 7.965 -6.295 1.00 0.00 H new ATOM 42 N ALA A 5 2.597 8.961 -0.362 1.00 0.00 N ATOM 43 CA ALA A 5 2.564 10.143 0.493 1.00 0.00 C ATOM 44 C ALA A 5 1.801 9.866 1.783 1.00 0.00 C ATOM 45 O ALA A 5 1.208 8.801 1.949 1.00 0.00 O ATOM 46 CB ALA A 5 1.943 11.316 -0.251 1.00 0.00 C ATOM 0 H ALA A 5 2.049 8.174 -0.015 1.00 0.00 H new ATOM 0 HA ALA A 5 3.590 10.399 0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.925 12.191 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.534 11.537 -1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.925 11.062 -0.546 1.00 0.00 H new ATOM 52 N THR A 6 1.824 10.834 2.693 1.00 0.00 N ATOM 53 CA THR A 6 1.034 10.750 3.918 1.00 0.00 C ATOM 54 C THR A 6 -0.451 10.940 3.631 1.00 0.00 C ATOM 55 O THR A 6 -0.854 11.931 3.021 1.00 0.00 O ATOM 56 CB THR A 6 1.484 11.797 4.954 1.00 0.00 C ATOM 57 OG1 THR A 6 2.859 11.579 5.292 1.00 0.00 O ATOM 58 CG2 THR A 6 0.634 11.703 6.211 1.00 0.00 C ATOM 0 H THR A 6 2.380 11.685 2.607 1.00 0.00 H new ATOM 0 HA THR A 6 1.197 9.753 4.328 1.00 0.00 H new ATOM 0 HB THR A 6 1.363 12.790 4.521 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.100 12.138 6.060 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.966 12.450 6.932 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.411 11.883 5.958 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.736 10.709 6.646 1.00 0.00 H new ATOM 66 N ALA A 7 -1.259 9.983 4.070 1.00 0.00 N ATOM 67 CA ALA A 7 -2.679 9.970 3.747 1.00 0.00 C ATOM 68 C ALA A 7 -3.398 11.164 4.366 1.00 0.00 C ATOM 69 O ALA A 7 -3.055 11.606 5.462 1.00 0.00 O ATOM 70 CB ALA A 7 -3.319 8.668 4.206 1.00 0.00 C ATOM 0 H ALA A 7 -0.953 9.204 4.653 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.776 10.044 2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.380 8.676 3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.835 7.829 3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.201 8.565 5.285 1.00 0.00 H new ATOM 76 N PRO A 8 -4.392 11.683 3.654 1.00 0.00 N ATOM 77 CA PRO A 8 -5.183 12.803 4.149 1.00 0.00 C ATOM 78 C PRO A 8 -6.020 12.396 5.356 1.00 0.00 C ATOM 79 O PRO A 8 -6.847 11.488 5.273 1.00 0.00 O ATOM 80 CB PRO A 8 -6.053 13.204 2.953 1.00 0.00 C ATOM 81 CG PRO A 8 -6.155 11.962 2.136 1.00 0.00 C ATOM 82 CD PRO A 8 -4.828 11.269 2.295 1.00 0.00 C ATOM 0 HA PRO A 8 -4.568 13.631 4.500 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.035 13.550 3.274 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.599 14.017 2.386 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.972 11.330 2.483 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.354 12.195 1.090 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.927 10.186 2.216 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.116 11.581 1.531 1.00 0.00 H new ATOM 90 N PHE A 9 -5.800 13.073 6.479 1.00 0.00 N ATOM 91 CA PHE A 9 -6.540 12.788 7.703 1.00 0.00 C ATOM 92 C PHE A 9 -6.435 13.944 8.689 1.00 0.00 C ATOM 93 O PHE A 9 -5.364 14.521 8.875 1.00 0.00 O ATOM 94 CB PHE A 9 -6.033 11.498 8.347 1.00 0.00 C ATOM 95 CG PHE A 9 -6.730 11.146 9.631 1.00 0.00 C ATOM 96 CD1 PHE A 9 -8.004 10.600 9.617 1.00 0.00 C ATOM 97 CD2 PHE A 9 -6.114 11.362 10.854 1.00 0.00 C ATOM 98 CE1 PHE A 9 -8.647 10.276 10.797 1.00 0.00 C ATOM 99 CE2 PHE A 9 -6.753 11.038 12.035 1.00 0.00 C ATOM 100 CZ PHE A 9 -8.022 10.495 12.006 1.00 0.00 C ATOM 0 H PHE A 9 -5.115 13.823 6.566 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.590 12.660 7.438 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.157 10.677 7.640 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.964 11.595 8.539 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.500 10.426 8.674 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.122 11.789 10.884 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.640 9.851 10.772 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.260 11.209 12.981 1.00 0.00 H new ATOM 0 HZ PHE A 9 -8.524 10.242 12.928 1.00 0.00 H new ATOM 110 N PHE A 10 -7.557 14.278 9.322 1.00 0.00 N ATOM 111 CA PHE A 10 -7.595 15.368 10.289 1.00 0.00 C ATOM 112 C PHE A 10 -7.072 14.916 11.649 1.00 0.00 C ATOM 113 O PHE A 10 -7.680 14.072 12.307 1.00 0.00 O ATOM 114 CB PHE A 10 -9.019 15.910 10.426 1.00 0.00 C ATOM 115 CG PHE A 10 -9.456 16.762 9.268 1.00 0.00 C ATOM 116 CD1 PHE A 10 -9.177 18.119 9.242 1.00 0.00 C ATOM 117 CD2 PHE A 10 -10.148 16.206 8.202 1.00 0.00 C ATOM 118 CE1 PHE A 10 -9.578 18.904 8.179 1.00 0.00 C ATOM 119 CE2 PHE A 10 -10.551 16.989 7.136 1.00 0.00 C ATOM 120 CZ PHE A 10 -10.267 18.338 7.125 1.00 0.00 C ATOM 0 H PHE A 10 -8.451 13.808 9.181 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.947 16.164 9.923 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.709 15.072 10.530 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.089 16.495 11.343 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.639 18.568 10.064 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.374 15.150 8.205 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.353 19.960 8.172 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.088 16.544 6.312 1.00 0.00 H new ATOM 0 HZ PHE A 10 -10.583 18.951 6.294 1.00 0.00 H new ATOM 130 N GLU A 11 -5.943 15.481 12.060 1.00 0.00 N ATOM 131 CA GLU A 11 -5.435 15.283 13.411 1.00 0.00 C ATOM 132 C GLU A 11 -6.177 16.166 14.410 1.00 0.00 C ATOM 133 O GLU A 11 -6.087 15.962 15.620 1.00 0.00 O ATOM 134 CB GLU A 11 -3.934 15.572 13.467 1.00 0.00 C ATOM 135 CG GLU A 11 -3.551 16.996 13.090 1.00 0.00 C ATOM 136 CD GLU A 11 -2.061 17.187 13.117 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.371 16.283 13.525 1.00 0.00 O ATOM 138 OE2 GLU A 11 -1.602 18.192 12.626 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.361 16.081 11.475 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.604 14.241 13.683 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.575 15.368 14.476 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.419 14.882 12.799 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.931 17.225 12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.022 17.696 13.780 1.00 0.00 H new ATOM 145 N MET A 12 -6.906 17.151 13.893 1.00 0.00 N ATOM 146 CA MET A 12 -7.863 17.900 14.701 1.00 0.00 C ATOM 147 C MET A 12 -9.165 18.123 13.942 1.00 0.00 C ATOM 148 O MET A 12 -9.190 18.803 12.918 1.00 0.00 O ATOM 149 CB MET A 12 -7.263 19.239 15.124 1.00 0.00 C ATOM 150 CG MET A 12 -8.175 20.089 15.998 1.00 0.00 C ATOM 151 SD MET A 12 -7.404 21.638 16.506 1.00 0.00 S ATOM 152 CE MET A 12 -7.511 22.583 14.990 1.00 0.00 C ATOM 0 H MET A 12 -6.852 17.449 12.919 1.00 0.00 H new ATOM 0 HA MET A 12 -8.086 17.313 15.592 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.334 19.053 15.663 1.00 0.00 H new ATOM 0 HB3 MET A 12 -7.005 19.806 14.230 1.00 0.00 H new ATOM 0 HG2 MET A 12 -9.094 20.306 15.454 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.456 19.520 16.884 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.122 23.587 15.159 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.924 22.093 14.213 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.552 22.646 14.673 1.00 0.00 H new ATOM 162 N LYS A 13 -10.249 17.545 14.458 1.00 0.00 N ATOM 163 CA LYS A 13 -11.517 17.522 13.740 1.00 0.00 C ATOM 164 C LYS A 13 -12.482 18.565 14.294 1.00 0.00 C ATOM 165 O LYS A 13 -12.274 19.100 15.384 1.00 0.00 O ATOM 166 CB LYS A 13 -12.147 16.129 13.812 1.00 0.00 C ATOM 167 CG LYS A 13 -11.300 15.025 13.195 1.00 0.00 C ATOM 168 CD LYS A 13 -12.031 13.690 13.217 1.00 0.00 C ATOM 169 CE LYS A 13 -11.224 12.605 12.520 1.00 0.00 C ATOM 170 NZ LYS A 13 -11.939 11.299 12.512 1.00 0.00 N1+ ATOM 0 H LYS A 13 -10.272 17.088 15.369 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.316 17.765 12.697 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.338 15.883 14.857 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.113 16.154 13.308 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.049 15.288 12.167 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.360 14.937 13.740 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.224 13.396 14.249 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.000 13.796 12.729 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.015 12.910 11.495 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.263 12.489 13.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.356 10.587 12.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.116 10.994 13.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.845 11.402 12.012 1.00 0.00 H new ATOM 184 N LEU A 14 -13.536 18.852 13.536 1.00 0.00 N ATOM 185 CA LEU A 14 -14.531 19.830 13.949 1.00 0.00 C ATOM 186 C LEU A 14 -15.527 19.224 14.929 1.00 0.00 C ATOM 187 O LEU A 14 -15.808 18.027 14.883 1.00 0.00 O ATOM 188 CB LEU A 14 -15.261 20.391 12.722 1.00 0.00 C ATOM 189 CG LEU A 14 -14.381 21.176 11.741 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.191 21.564 10.511 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.826 22.411 12.433 1.00 0.00 C ATOM 0 H LEU A 14 -13.721 18.419 12.631 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.015 20.644 14.458 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.726 19.564 12.186 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.066 21.042 13.064 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.548 20.551 11.418 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.559 22.121 9.820 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.560 20.664 10.020 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.035 22.185 10.812 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.201 22.969 11.736 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.650 23.042 12.766 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.229 22.109 13.294 1.00 0.00 H new ATOM 203 N LYS A 15 -16.059 20.058 15.816 1.00 0.00 N ATOM 204 CA LYS A 15 -17.038 19.609 16.799 1.00 0.00 C ATOM 205 C LYS A 15 -18.393 20.267 16.569 1.00 0.00 C ATOM 206 O LYS A 15 -18.560 21.052 15.636 1.00 0.00 O ATOM 207 CB LYS A 15 -16.545 19.903 18.217 1.00 0.00 C ATOM 208 CG LYS A 15 -15.248 19.198 18.591 1.00 0.00 C ATOM 209 CD LYS A 15 -14.860 19.480 20.035 1.00 0.00 C ATOM 210 CE LYS A 15 -13.572 18.765 20.412 1.00 0.00 C ATOM 211 NZ LYS A 15 -13.185 19.026 21.825 1.00 0.00 N1+ ATOM 0 H LYS A 15 -15.828 21.050 15.874 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.159 18.532 16.681 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.403 20.978 18.324 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.320 19.612 18.926 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.361 18.124 18.446 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.449 19.527 17.927 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.737 20.554 20.178 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.663 19.160 20.699 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.695 17.692 20.262 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.769 19.090 19.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.302 18.521 22.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.043 20.047 21.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.939 18.693 22.459 1.00 0.00 H new ATOM 225 N HIS A 16 -19.355 19.941 17.424 1.00 0.00 N ATOM 226 CA HIS A 16 -20.658 20.595 17.398 1.00 0.00 C ATOM 227 C HIS A 16 -20.584 21.995 17.984 1.00 0.00 C ATOM 228 O HIS A 16 -20.343 22.168 19.181 1.00 0.00 O ATOM 229 CB HIS A 16 -21.697 19.764 18.159 1.00 0.00 C ATOM 230 CG HIS A 16 -23.083 20.327 18.092 1.00 0.00 C ATOM 231 ND1 HIS A 16 -24.127 19.823 18.840 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.597 21.348 17.367 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.224 20.512 18.577 1.00 0.00 C ATOM 234 NE2 HIS A 16 -24.929 21.441 17.687 1.00 0.00 N ATOM 0 H HIS A 16 -19.257 19.226 18.145 1.00 0.00 H new ATOM 0 HA HIS A 16 -20.964 20.675 16.355 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.706 18.751 17.756 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.395 19.689 19.204 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -24.063 19.042 19.493 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -23.060 21.972 16.668 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.196 20.343 19.016 1.00 0.00 H new ATOM 242 N TYR A 17 -20.791 23.001 17.140 1.00 0.00 N ATOM 243 CA TYR A 17 -20.663 24.394 17.553 1.00 0.00 C ATOM 244 C TYR A 17 -22.026 25.056 17.698 1.00 0.00 C ATOM 245 O TYR A 17 -22.969 24.717 16.985 1.00 0.00 O ATOM 246 CB TYR A 17 -19.806 25.173 16.553 1.00 0.00 C ATOM 247 CG TYR A 17 -18.436 24.573 16.324 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.469 24.609 17.316 1.00 0.00 C ATOM 249 CD2 TYR A 17 -18.112 23.977 15.114 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.216 24.065 17.112 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.863 23.428 14.899 1.00 0.00 C ATOM 252 CZ TYR A 17 -15.917 23.474 15.901 1.00 0.00 C ATOM 253 OH TYR A 17 -14.671 22.931 15.693 1.00 0.00 O ATOM 0 H TYR A 17 -21.049 22.876 16.161 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.173 24.407 18.527 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.333 25.225 15.600 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.689 26.197 16.909 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.699 25.070 18.265 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.850 23.942 14.326 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.474 24.102 17.896 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.629 22.965 13.952 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.308 22.610 16.545 1.00 0.00 H new ATOM 263 N LYS A 18 -22.122 26.003 18.626 1.00 0.00 N ATOM 264 CA LYS A 18 -23.356 26.748 18.832 1.00 0.00 C ATOM 265 C LYS A 18 -23.083 28.241 18.961 1.00 0.00 C ATOM 266 O LYS A 18 -22.111 28.651 19.596 1.00 0.00 O ATOM 267 CB LYS A 18 -24.090 26.238 20.074 1.00 0.00 C ATOM 268 CG LYS A 18 -24.616 24.814 19.954 1.00 0.00 C ATOM 269 CD LYS A 18 -25.407 24.410 21.187 1.00 0.00 C ATOM 270 CE LYS A 18 -25.899 22.975 21.085 1.00 0.00 C ATOM 271 NZ LYS A 18 -26.668 22.563 22.291 1.00 0.00 N1+ ATOM 0 H LYS A 18 -21.359 26.272 19.247 1.00 0.00 H new ATOM 0 HA LYS A 18 -23.989 26.592 17.959 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.415 26.292 20.928 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -24.926 26.904 20.286 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.249 24.731 19.070 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.782 24.127 19.814 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.783 24.520 22.074 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.258 25.080 21.311 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.527 22.869 20.201 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.047 22.308 20.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -26.985 21.579 22.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.061 22.639 23.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.496 23.183 22.404 1.00 0.00 H new ATOM 285 N ILE A 19 -23.948 29.049 18.356 1.00 0.00 N ATOM 286 CA ILE A 19 -23.787 30.498 18.381 1.00 0.00 C ATOM 287 C ILE A 19 -25.134 31.202 18.319 1.00 0.00 C ATOM 288 O ILE A 19 -26.087 30.690 17.731 1.00 0.00 O ATOM 289 CB ILE A 19 -22.906 30.990 17.217 1.00 0.00 C ATOM 290 CG1 ILE A 19 -22.551 32.468 17.405 1.00 0.00 C ATOM 291 CG2 ILE A 19 -23.614 30.775 15.888 1.00 0.00 C ATOM 292 CD1 ILE A 19 -21.716 32.743 18.635 1.00 0.00 C ATOM 0 H ILE A 19 -24.767 28.725 17.843 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.296 30.743 19.323 1.00 0.00 H new ATOM 0 HB ILE A 19 -21.982 30.412 17.212 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -22.011 32.817 16.525 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -23.472 33.048 17.465 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -22.978 31.128 15.076 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -23.820 29.713 15.753 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -24.552 31.330 15.882 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -21.505 33.810 18.700 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -22.262 32.426 19.524 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -20.778 32.191 18.569 1.00 0.00 H new ATOM 304 N PHE A 20 -25.210 32.382 18.927 1.00 0.00 N ATOM 305 CA PHE A 20 -26.432 33.178 18.909 1.00 0.00 C ATOM 306 C PHE A 20 -26.604 33.896 17.579 1.00 0.00 C ATOM 307 O PHE A 20 -25.626 34.300 16.949 1.00 0.00 O ATOM 308 CB PHE A 20 -26.426 34.191 20.056 1.00 0.00 C ATOM 309 CG PHE A 20 -26.717 33.586 21.400 1.00 0.00 C ATOM 310 CD1 PHE A 20 -28.019 33.288 21.775 1.00 0.00 C ATOM 311 CD2 PHE A 20 -25.690 33.313 22.291 1.00 0.00 C ATOM 312 CE1 PHE A 20 -28.289 32.734 23.011 1.00 0.00 C ATOM 313 CE2 PHE A 20 -25.958 32.756 23.528 1.00 0.00 C ATOM 314 CZ PHE A 20 -27.256 32.467 23.887 1.00 0.00 C ATOM 0 H PHE A 20 -24.438 32.808 19.439 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.274 32.498 19.039 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.453 34.680 20.091 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -27.165 34.965 19.849 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -28.831 33.492 21.092 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -24.670 33.538 22.016 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -29.307 32.510 23.292 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -25.149 32.548 24.213 1.00 0.00 H new ATOM 0 HZ PHE A 20 -27.465 32.032 24.853 1.00 0.00 H new ATOM 324 N GLU A 21 -27.854 34.052 17.156 1.00 0.00 N ATOM 325 CA GLU A 21 -28.155 34.666 15.866 1.00 0.00 C ATOM 326 C GLU A 21 -27.513 36.044 15.752 1.00 0.00 C ATOM 327 O GLU A 21 -27.790 36.939 16.552 1.00 0.00 O ATOM 328 CB GLU A 21 -29.668 34.773 15.661 1.00 0.00 C ATOM 329 CG GLU A 21 -30.081 35.523 14.403 1.00 0.00 C ATOM 330 CD GLU A 21 -31.571 35.480 14.205 1.00 0.00 C ATOM 331 OE1 GLU A 21 -32.283 35.781 15.134 1.00 0.00 O ATOM 332 OE2 GLU A 21 -31.998 35.254 13.097 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.675 33.762 17.687 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.738 34.027 15.087 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -30.089 33.768 15.625 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -30.105 35.271 16.526 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -29.751 36.560 14.470 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.584 35.086 13.537 1.00 0.00 H new ATOM 339 N GLY A 22 -26.656 36.209 14.751 1.00 0.00 N ATOM 340 CA GLY A 22 -26.086 37.515 14.439 1.00 0.00 C ATOM 341 C GLY A 22 -24.690 37.660 15.031 1.00 0.00 C ATOM 342 O GLY A 22 -23.941 38.566 14.664 1.00 0.00 O ATOM 0 H GLY A 22 -26.340 35.455 14.141 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -26.041 37.647 13.358 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.733 38.300 14.829 1.00 0.00 H new ATOM 346 N MET A 23 -24.343 36.763 15.948 1.00 0.00 N ATOM 347 CA MET A 23 -23.064 36.829 16.641 1.00 0.00 C ATOM 348 C MET A 23 -21.965 36.150 15.837 1.00 0.00 C ATOM 349 O MET A 23 -22.230 35.248 15.041 1.00 0.00 O ATOM 350 CB MET A 23 -23.182 36.187 18.023 1.00 0.00 C ATOM 351 CG MET A 23 -24.156 36.885 18.961 1.00 0.00 C ATOM 352 SD MET A 23 -23.655 38.573 19.354 1.00 0.00 S ATOM 353 CE MET A 23 -22.258 38.269 20.432 1.00 0.00 C ATOM 0 H MET A 23 -24.933 35.980 16.228 1.00 0.00 H new ATOM 0 HA MET A 23 -22.795 37.879 16.756 1.00 0.00 H new ATOM 0 HB2 MET A 23 -23.493 35.149 17.902 1.00 0.00 H new ATOM 0 HB3 MET A 23 -22.196 36.172 18.488 1.00 0.00 H new ATOM 0 HG2 MET A 23 -25.146 36.901 18.504 1.00 0.00 H new ATOM 0 HG3 MET A 23 -24.240 36.311 19.884 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.394 38.814 21.366 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.186 37.202 20.642 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.343 38.606 19.945 1.00 0.00 H new ATOM 363 N PRO A 24 -20.729 36.591 16.046 1.00 0.00 N ATOM 364 CA PRO A 24 -19.578 35.997 15.375 1.00 0.00 C ATOM 365 C PRO A 24 -19.215 34.650 15.992 1.00 0.00 C ATOM 366 O PRO A 24 -19.473 34.408 17.172 1.00 0.00 O ATOM 367 CB PRO A 24 -18.464 37.032 15.554 1.00 0.00 C ATOM 368 CG PRO A 24 -18.784 37.704 16.846 1.00 0.00 C ATOM 369 CD PRO A 24 -20.287 37.747 16.910 1.00 0.00 C ATOM 0 HA PRO A 24 -19.767 35.782 14.323 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.483 36.558 15.585 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.448 37.744 14.729 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.370 37.152 17.690 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.360 38.707 16.883 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.645 37.638 17.934 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.674 38.695 16.536 1.00 0.00 H new ATOM 377 N VAL A 25 -18.611 33.781 15.190 1.00 0.00 N ATOM 378 CA VAL A 25 -18.142 32.489 15.674 1.00 0.00 C ATOM 379 C VAL A 25 -16.958 31.990 14.851 1.00 0.00 C ATOM 380 O VAL A 25 -16.975 32.055 13.621 1.00 0.00 O ATOM 381 CB VAL A 25 -19.262 31.434 15.640 1.00 0.00 C ATOM 382 CG1 VAL A 25 -19.767 31.238 14.218 1.00 0.00 C ATOM 383 CG2 VAL A 25 -18.769 30.115 16.215 1.00 0.00 C ATOM 0 H VAL A 25 -18.434 33.949 14.199 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.826 32.635 16.707 1.00 0.00 H new ATOM 0 HB VAL A 25 -20.089 31.791 16.254 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -20.559 30.489 14.213 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -20.158 32.182 13.838 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.946 30.903 13.583 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -19.574 29.381 16.183 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.925 29.754 15.627 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -18.454 30.263 17.248 1.00 0.00 H new ATOM 393 N THR A 26 -15.934 31.494 15.536 1.00 0.00 N ATOM 394 CA THR A 26 -14.733 31.005 14.871 1.00 0.00 C ATOM 395 C THR A 26 -14.489 29.531 15.185 1.00 0.00 C ATOM 396 O THR A 26 -14.605 29.107 16.336 1.00 0.00 O ATOM 397 CB THR A 26 -13.491 31.819 15.277 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.698 33.202 14.959 1.00 0.00 O ATOM 399 CG2 THR A 26 -12.258 31.314 14.545 1.00 0.00 C ATOM 0 H THR A 26 -15.912 31.420 16.553 1.00 0.00 H new ATOM 0 HA THR A 26 -14.898 31.122 13.800 1.00 0.00 H new ATOM 0 HB THR A 26 -13.336 31.704 16.350 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.140 33.275 14.087 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.390 31.902 14.845 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.090 30.266 14.794 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.408 31.411 13.470 1.00 0.00 H new ATOM 407 N PHE A 27 -14.156 28.760 14.162 1.00 0.00 N ATOM 408 CA PHE A 27 -13.790 27.359 14.342 1.00 0.00 C ATOM 409 C PHE A 27 -12.827 26.897 13.255 1.00 0.00 C ATOM 410 O PHE A 27 -12.832 27.424 12.145 1.00 0.00 O ATOM 411 CB PHE A 27 -15.039 26.475 14.350 1.00 0.00 C ATOM 412 CG PHE A 27 -15.969 26.732 13.199 1.00 0.00 C ATOM 413 CD1 PHE A 27 -16.928 27.731 13.271 1.00 0.00 C ATOM 414 CD2 PHE A 27 -15.885 25.975 12.040 1.00 0.00 C ATOM 415 CE1 PHE A 27 -17.785 27.967 12.214 1.00 0.00 C ATOM 416 CE2 PHE A 27 -16.741 26.210 10.979 1.00 0.00 C ATOM 417 CZ PHE A 27 -17.690 27.205 11.066 1.00 0.00 C ATOM 0 H PHE A 27 -14.131 29.080 13.194 1.00 0.00 H new ATOM 0 HA PHE A 27 -13.286 27.267 15.304 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -14.733 25.429 14.331 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -15.579 26.633 15.284 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -17.006 28.332 14.165 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -15.143 25.194 11.965 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -18.529 28.747 12.285 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -16.665 25.613 10.082 1.00 0.00 H new ATOM 0 HZ PHE A 27 -18.358 27.389 10.238 1.00 0.00 H new ATOM 427 N THR A 28 -12.003 25.910 13.586 1.00 0.00 N ATOM 428 CA THR A 28 -10.828 25.592 12.782 1.00 0.00 C ATOM 429 C THR A 28 -10.529 24.099 12.809 1.00 0.00 C ATOM 430 O THR A 28 -10.936 23.392 13.730 1.00 0.00 O ATOM 431 CB THR A 28 -9.585 26.363 13.266 1.00 0.00 C ATOM 432 OG1 THR A 28 -8.480 26.087 12.397 1.00 0.00 O ATOM 433 CG2 THR A 28 -9.225 25.953 14.686 1.00 0.00 C ATOM 0 H THR A 28 -12.126 25.316 14.406 1.00 0.00 H new ATOM 0 HA THR A 28 -11.057 25.895 11.760 1.00 0.00 H new ATOM 0 HB THR A 28 -9.808 27.430 13.252 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.811 25.921 11.490 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.345 26.507 15.013 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.060 26.173 15.351 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.012 24.884 14.713 1.00 0.00 H new ATOM 441 N CYS A 29 -9.812 23.625 11.794 1.00 0.00 N ATOM 442 CA CYS A 29 -9.472 22.212 11.692 1.00 0.00 C ATOM 443 C CYS A 29 -8.074 22.021 11.121 1.00 0.00 C ATOM 444 O CYS A 29 -7.577 22.867 10.376 1.00 0.00 O ATOM 445 CB CYS A 29 -10.527 21.679 10.722 1.00 0.00 C ATOM 446 SG CYS A 29 -10.990 19.952 10.992 1.00 0.00 S ATOM 0 H CYS A 29 -9.456 24.200 11.031 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.467 21.703 12.656 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.421 22.298 10.801 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.153 21.787 9.704 1.00 0.00 H new ATOM 0 HG CYS A 29 -10.442 19.208 10.078 1.00 0.00 H new ATOM 452 N ARG A 30 -7.441 20.907 11.473 1.00 0.00 N ATOM 453 CA ARG A 30 -6.027 20.705 11.185 1.00 0.00 C ATOM 454 C ARG A 30 -5.779 19.323 10.589 1.00 0.00 C ATOM 455 O ARG A 30 -6.242 18.313 11.120 1.00 0.00 O ATOM 456 CB ARG A 30 -5.153 20.952 12.406 1.00 0.00 C ATOM 457 CG ARG A 30 -3.659 20.819 12.159 1.00 0.00 C ATOM 458 CD ARG A 30 -2.814 21.109 13.346 1.00 0.00 C ATOM 459 NE ARG A 30 -1.408 20.780 13.180 1.00 0.00 N ATOM 460 CZ ARG A 30 -0.459 21.653 12.787 1.00 0.00 C ATOM 461 NH1 ARG A 30 -0.765 22.894 12.482 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 0.786 21.220 12.692 1.00 0.00 N ATOM 0 H ARG A 30 -7.887 20.129 11.959 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.741 21.446 10.439 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.357 21.954 12.784 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.441 20.251 13.189 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.448 19.806 11.817 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.375 21.494 11.352 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.900 22.168 13.587 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.206 20.555 14.199 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.119 19.821 13.375 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.733 23.210 12.541 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.034 23.542 12.186 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.007 20.249 12.913 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.526 21.857 12.397 1.00 0.00 H new ATOM 476 N VAL A 31 -5.046 19.287 9.482 1.00 0.00 N ATOM 477 CA VAL A 31 -4.803 18.040 8.764 1.00 0.00 C ATOM 478 C VAL A 31 -3.359 17.581 8.928 1.00 0.00 C ATOM 479 O VAL A 31 -2.429 18.377 8.812 1.00 0.00 O ATOM 480 CB VAL A 31 -5.119 18.183 7.262 1.00 0.00 C ATOM 481 CG1 VAL A 31 -4.798 16.892 6.526 1.00 0.00 C ATOM 482 CG2 VAL A 31 -6.577 18.565 7.058 1.00 0.00 C ATOM 0 H VAL A 31 -4.609 20.107 9.061 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.469 17.293 9.197 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.495 18.977 6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.027 17.010 5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.740 16.659 6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.397 16.080 6.938 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.782 18.662 5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.218 17.793 7.482 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.777 19.515 7.553 1.00 0.00 H new ATOM 492 N ALA A 32 -3.182 16.294 9.200 1.00 0.00 N ATOM 493 CA ALA A 32 -1.854 15.699 9.252 1.00 0.00 C ATOM 494 C ALA A 32 -1.471 15.087 7.910 1.00 0.00 C ATOM 495 O ALA A 32 -1.308 13.870 7.795 1.00 0.00 O ATOM 496 CB ALA A 32 -1.781 14.652 10.355 1.00 0.00 C ATOM 0 H ALA A 32 -3.943 15.642 9.388 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.140 16.492 9.476 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.781 14.218 10.379 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.997 15.120 11.316 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.513 13.868 10.161 1.00 0.00 H new ATOM 502 N GLY A 33 -1.334 15.931 6.898 1.00 0.00 N ATOM 503 CA GLY A 33 -0.996 15.476 5.554 1.00 0.00 C ATOM 504 C GLY A 33 0.436 15.838 5.190 1.00 0.00 C ATOM 505 O GLY A 33 1.051 16.690 5.831 1.00 0.00 O ATOM 0 H GLY A 33 -1.452 16.941 6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.127 14.396 5.490 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.681 15.924 4.834 1.00 0.00 H new ATOM 509 N ASN A 34 0.967 15.186 4.156 1.00 0.00 N ATOM 510 CA ASN A 34 2.310 15.481 3.665 1.00 0.00 C ATOM 511 C ASN A 34 2.556 14.817 2.331 1.00 0.00 C ATOM 512 O ASN A 34 2.847 13.620 2.259 1.00 0.00 O ATOM 513 CB ASN A 34 3.360 15.014 4.714 1.00 0.00 C ATOM 514 CG ASN A 34 4.823 15.380 4.442 1.00 0.00 C ATOM 515 OD1 ASN A 34 5.219 15.693 3.329 1.00 0.00 O ATOM 516 ND2 ASN A 34 5.678 15.333 5.428 1.00 0.00 N ATOM 0 H ASN A 34 0.485 14.448 3.642 1.00 0.00 H new ATOM 0 HA ASN A 34 2.404 16.557 3.520 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.081 15.430 5.682 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.292 13.930 4.802 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.660 15.556 5.263 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.364 15.074 6.363 1.00 0.00 H new ATOM 523 N PRO A 35 2.467 15.599 1.260 1.00 0.00 N ATOM 524 CA PRO A 35 2.179 17.022 1.382 1.00 0.00 C ATOM 525 C PRO A 35 0.732 17.263 1.785 1.00 0.00 C ATOM 526 O PRO A 35 -0.082 16.339 1.791 1.00 0.00 O ATOM 527 CB PRO A 35 2.491 17.585 -0.009 1.00 0.00 C ATOM 528 CG PRO A 35 2.283 16.433 -0.931 1.00 0.00 C ATOM 529 CD PRO A 35 2.725 15.218 -0.160 1.00 0.00 C ATOM 0 HA PRO A 35 2.769 17.506 2.161 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.832 18.417 -0.258 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.513 17.960 -0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.237 16.351 -1.227 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.865 16.551 -1.845 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.160 14.332 -0.448 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.778 14.994 -0.331 1.00 0.00 H new ATOM 537 N LYS A 36 0.417 18.508 2.127 1.00 0.00 N ATOM 538 CA LYS A 36 -0.936 18.868 2.536 1.00 0.00 C ATOM 539 C LYS A 36 -1.909 18.764 1.369 1.00 0.00 C ATOM 540 O LYS A 36 -1.618 19.216 0.263 1.00 0.00 O ATOM 541 CB LYS A 36 -0.962 20.282 3.118 1.00 0.00 C ATOM 542 CG LYS A 36 -0.068 20.479 4.335 1.00 0.00 C ATOM 543 CD LYS A 36 -0.476 19.557 5.475 1.00 0.00 C ATOM 544 CE LYS A 36 0.426 19.742 6.687 1.00 0.00 C ATOM 545 NZ LYS A 36 0.233 18.665 7.694 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.079 19.284 2.129 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.250 18.163 3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.660 20.986 2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.987 20.530 3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.969 20.286 4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.123 21.516 4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.510 19.757 5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.431 18.520 5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.467 19.755 6.365 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.222 20.709 7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.853 18.838 8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.758 18.657 8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.469 17.746 7.269 1.00 0.00 H new ATOM 559 N PRO A 37 -3.068 18.166 1.626 1.00 0.00 N ATOM 560 CA PRO A 37 -4.105 18.041 0.607 1.00 0.00 C ATOM 561 C PRO A 37 -4.635 19.406 0.189 1.00 0.00 C ATOM 562 O PRO A 37 -4.221 20.434 0.720 1.00 0.00 O ATOM 563 CB PRO A 37 -5.183 17.183 1.277 1.00 0.00 C ATOM 564 CG PRO A 37 -4.480 16.518 2.411 1.00 0.00 C ATOM 565 CD PRO A 37 -3.460 17.517 2.888 1.00 0.00 C ATOM 0 HA PRO A 37 -3.740 17.589 -0.315 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.014 17.794 1.629 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.596 16.452 0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.177 16.257 3.207 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.003 15.592 2.089 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.883 18.226 3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.615 17.036 3.381 1.00 0.00 H new ATOM 573 N LYS A 38 -5.558 19.408 -0.771 1.00 0.00 N ATOM 574 CA LYS A 38 -6.228 20.635 -1.183 1.00 0.00 C ATOM 575 C LYS A 38 -7.420 20.947 -0.287 1.00 0.00 C ATOM 576 O LYS A 38 -8.562 20.671 -0.643 1.00 0.00 O ATOM 577 CB LYS A 38 -6.679 20.534 -2.640 1.00 0.00 C ATOM 578 CG LYS A 38 -5.542 20.392 -3.643 1.00 0.00 C ATOM 579 CD LYS A 38 -6.069 20.272 -5.064 1.00 0.00 C ATOM 580 CE LYS A 38 -4.932 20.172 -6.071 1.00 0.00 C ATOM 581 NZ LYS A 38 -5.433 20.067 -7.468 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.857 18.574 -1.276 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.511 21.451 -1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.346 19.678 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.259 21.422 -2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.880 21.255 -3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.947 19.512 -3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.707 19.392 -5.144 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.689 21.137 -5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.290 21.048 -5.981 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.318 19.302 -5.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.627 20.001 -8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.025 19.217 -7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.998 20.909 -7.699 1.00 0.00 H new ATOM 595 N ILE A 39 -7.142 21.517 0.881 1.00 0.00 N ATOM 596 CA ILE A 39 -8.162 21.711 1.904 1.00 0.00 C ATOM 597 C ILE A 39 -9.051 22.903 1.571 1.00 0.00 C ATOM 598 O ILE A 39 -8.563 23.978 1.220 1.00 0.00 O ATOM 599 CB ILE A 39 -7.536 21.922 3.294 1.00 0.00 C ATOM 600 CG1 ILE A 39 -6.646 20.733 3.664 1.00 0.00 C ATOM 601 CG2 ILE A 39 -8.619 22.126 4.340 1.00 0.00 C ATOM 602 CD1 ILE A 39 -5.701 21.010 4.812 1.00 0.00 C ATOM 0 H ILE A 39 -6.215 21.854 1.143 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.766 20.804 1.924 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.917 22.819 3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.279 19.885 3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.064 20.441 2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.158 22.274 5.317 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.213 23.003 4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.264 21.248 4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.104 20.121 5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.042 21.837 4.549 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.275 21.272 5.701 1.00 0.00 H new ATOM 614 N TYR A 40 -10.361 22.708 1.682 1.00 0.00 N ATOM 615 CA TYR A 40 -11.322 23.769 1.416 1.00 0.00 C ATOM 616 C TYR A 40 -12.575 23.607 2.267 1.00 0.00 C ATOM 617 O TYR A 40 -12.812 22.544 2.843 1.00 0.00 O ATOM 618 CB TYR A 40 -11.695 23.792 -0.068 1.00 0.00 C ATOM 619 CG TYR A 40 -12.489 22.586 -0.520 1.00 0.00 C ATOM 620 CD1 TYR A 40 -11.854 21.390 -0.823 1.00 0.00 C ATOM 621 CD2 TYR A 40 -13.869 22.647 -0.644 1.00 0.00 C ATOM 622 CE1 TYR A 40 -12.574 20.286 -1.235 1.00 0.00 C ATOM 623 CE2 TYR A 40 -14.598 21.548 -1.055 1.00 0.00 C ATOM 624 CZ TYR A 40 -13.946 20.369 -1.351 1.00 0.00 C ATOM 625 OH TYR A 40 -14.668 19.271 -1.762 1.00 0.00 O ATOM 0 H TYR A 40 -10.782 21.820 1.956 1.00 0.00 H new ATOM 0 HA TYR A 40 -10.852 24.717 1.680 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.273 24.693 -0.273 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -10.783 23.857 -0.661 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -10.780 21.321 -0.735 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.382 23.569 -0.415 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -12.065 19.362 -1.465 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -15.672 21.612 -1.144 1.00 0.00 H new ATOM 0 HH TYR A 40 -14.619 18.572 -1.077 1.00 0.00 H new ATOM 635 N TRP A 41 -13.375 24.664 2.343 1.00 0.00 N ATOM 636 CA TRP A 41 -14.618 24.631 3.108 1.00 0.00 C ATOM 637 C TRP A 41 -15.829 24.639 2.187 1.00 0.00 C ATOM 638 O TRP A 41 -15.779 25.166 1.077 1.00 0.00 O ATOM 639 CB TRP A 41 -14.683 25.819 4.071 1.00 0.00 C ATOM 640 CG TRP A 41 -13.628 25.784 5.135 1.00 0.00 C ATOM 641 CD1 TRP A 41 -12.324 26.156 5.003 1.00 0.00 C ATOM 642 CD2 TRP A 41 -13.789 25.356 6.493 1.00 0.00 C ATOM 643 NE1 TRP A 41 -11.660 25.986 6.192 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.540 25.496 7.124 1.00 0.00 C ATOM 645 CE3 TRP A 41 -14.871 24.868 7.236 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -12.340 25.166 8.456 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -14.670 24.539 8.572 1.00 0.00 C ATOM 648 CH2 TRP A 41 -13.441 24.684 9.164 1.00 0.00 C ATOM 0 H TRP A 41 -13.186 25.555 1.884 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.633 23.706 3.684 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.584 26.744 3.502 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.665 25.840 4.544 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.877 26.531 4.094 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.674 26.190 6.356 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -15.843 24.749 6.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.374 25.277 8.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.497 24.162 9.155 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -13.323 24.418 10.204 1.00 0.00 H new ATOM 659 N PHE A 42 -16.924 24.046 2.656 1.00 0.00 N ATOM 660 CA PHE A 42 -18.225 24.228 2.024 1.00 0.00 C ATOM 661 C PHE A 42 -19.356 24.048 3.028 1.00 0.00 C ATOM 662 O PHE A 42 -19.260 23.235 3.947 1.00 0.00 O ATOM 663 CB PHE A 42 -18.394 23.250 0.860 1.00 0.00 C ATOM 664 CG PHE A 42 -18.256 21.808 1.254 1.00 0.00 C ATOM 665 CD1 PHE A 42 -17.004 21.223 1.377 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.378 21.032 1.505 1.00 0.00 C ATOM 667 CE1 PHE A 42 -16.876 19.896 1.739 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.253 19.704 1.869 1.00 0.00 C ATOM 669 CZ PHE A 42 -18.001 19.136 1.986 1.00 0.00 C ATOM 0 H PHE A 42 -16.935 23.435 3.473 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.270 25.247 1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.375 23.402 0.410 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.653 23.480 0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.119 21.812 1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.361 21.470 1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.895 19.453 1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -20.135 19.111 2.062 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.902 18.099 2.270 1.00 0.00 H new ATOM 679 N LYS A 43 -20.426 24.812 2.844 1.00 0.00 N ATOM 680 CA LYS A 43 -21.541 24.807 3.787 1.00 0.00 C ATOM 681 C LYS A 43 -22.776 24.154 3.179 1.00 0.00 C ATOM 682 O LYS A 43 -23.399 24.707 2.275 1.00 0.00 O ATOM 683 CB LYS A 43 -21.866 26.233 4.239 1.00 0.00 C ATOM 684 CG LYS A 43 -22.794 26.313 5.442 1.00 0.00 C ATOM 685 CD LYS A 43 -24.252 26.412 5.012 1.00 0.00 C ATOM 686 CE LYS A 43 -25.160 26.739 6.188 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.593 26.491 5.876 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.546 25.443 2.052 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.241 24.220 4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -20.935 26.747 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.322 26.770 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.657 25.432 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.532 27.180 6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.355 27.181 4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.564 25.470 4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.868 26.138 7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.026 27.784 6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.162 26.613 6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -26.912 27.166 5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.708 25.521 5.520 1.00 0.00 H new ATOM 701 N ASP A 44 -23.122 22.974 3.679 1.00 0.00 N ATOM 702 CA ASP A 44 -24.237 22.207 3.131 1.00 0.00 C ATOM 703 C ASP A 44 -24.088 22.021 1.626 1.00 0.00 C ATOM 704 O ASP A 44 -25.080 21.988 0.896 1.00 0.00 O ATOM 705 CB ASP A 44 -25.568 22.890 3.450 1.00 0.00 C ATOM 706 CG ASP A 44 -25.951 22.869 4.923 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.300 22.183 5.677 1.00 0.00 O ATOM 708 OD2 ASP A 44 -26.785 23.652 5.311 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.647 22.526 4.463 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.227 21.223 3.599 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.520 23.926 3.115 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.357 22.406 2.875 1.00 0.00 H new ATOM 713 N GLY A 45 -22.849 21.907 1.167 1.00 0.00 N ATOM 714 CA GLY A 45 -22.572 21.646 -0.239 1.00 0.00 C ATOM 715 C GLY A 45 -22.215 22.931 -0.977 1.00 0.00 C ATOM 716 O GLY A 45 -21.887 22.903 -2.164 1.00 0.00 O ATOM 0 H GLY A 45 -22.017 21.992 1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.751 20.934 -0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.443 21.186 -0.705 1.00 0.00 H new ATOM 720 N LYS A 46 -22.279 24.051 -0.268 1.00 0.00 N ATOM 721 CA LYS A 46 -22.013 25.353 -0.867 1.00 0.00 C ATOM 722 C LYS A 46 -20.564 25.773 -0.648 1.00 0.00 C ATOM 723 O LYS A 46 -20.204 26.256 0.429 1.00 0.00 O ATOM 724 CB LYS A 46 -22.960 26.409 -0.296 1.00 0.00 C ATOM 725 CG LYS A 46 -24.435 26.138 -0.559 1.00 0.00 C ATOM 726 CD LYS A 46 -25.318 27.174 0.122 1.00 0.00 C ATOM 727 CE LYS A 46 -26.790 26.929 -0.174 1.00 0.00 C ATOM 728 NZ LYS A 46 -27.657 28.001 0.387 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.513 24.084 0.724 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.185 25.269 -1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.802 26.478 0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.700 27.379 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.623 26.147 -1.633 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.694 25.143 -0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.152 27.144 1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.038 28.172 -0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -26.938 26.870 -1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.088 25.967 0.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.652 27.796 0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.536 28.041 1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.390 28.916 -0.029 1.00 0.00 H new ATOM 742 N GLN A 47 -19.735 25.586 -1.668 1.00 0.00 N ATOM 743 CA GLN A 47 -18.315 25.899 -1.571 1.00 0.00 C ATOM 744 C GLN A 47 -18.097 27.318 -1.064 1.00 0.00 C ATOM 745 O GLN A 47 -18.689 28.269 -1.577 1.00 0.00 O ATOM 746 CB GLN A 47 -17.634 25.728 -2.931 1.00 0.00 C ATOM 747 CG GLN A 47 -16.124 25.901 -2.897 1.00 0.00 C ATOM 748 CD GLN A 47 -15.487 25.680 -4.256 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.179 25.470 -5.256 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.160 25.724 -4.300 1.00 0.00 N ATOM 0 H GLN A 47 -20.023 25.218 -2.575 1.00 0.00 H new ATOM 0 HA GLN A 47 -17.872 25.204 -0.857 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -17.866 24.736 -3.319 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.056 26.451 -3.630 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -15.884 26.904 -2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.697 25.200 -2.180 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.627 25.901 -3.448 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.674 25.581 -5.185 1.00 0.00 H new ATOM 759 N ILE A 48 -17.244 27.456 -0.053 1.00 0.00 N ATOM 760 CA ILE A 48 -16.996 28.750 0.569 1.00 0.00 C ATOM 761 C ILE A 48 -15.727 29.388 0.022 1.00 0.00 C ATOM 762 O ILE A 48 -14.653 28.790 0.064 1.00 0.00 O ATOM 763 CB ILE A 48 -16.880 28.628 2.099 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.196 28.122 2.696 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.494 29.966 2.712 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.104 27.764 4.162 1.00 0.00 C ATOM 0 H ILE A 48 -16.713 26.685 0.352 1.00 0.00 H new ATOM 0 HA ILE A 48 -17.850 29.384 0.329 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.097 27.906 2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -18.961 28.887 2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.524 27.245 2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.416 29.862 3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.534 30.287 2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.255 30.709 2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.075 27.414 4.513 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.363 26.976 4.298 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -17.807 28.644 4.733 1.00 0.00 H new ATOM 778 N SER A 49 -15.856 30.610 -0.482 1.00 0.00 N ATOM 779 CA SER A 49 -14.700 31.384 -0.923 1.00 0.00 C ATOM 780 C SER A 49 -14.068 32.141 0.237 1.00 0.00 C ATOM 781 O SER A 49 -14.764 32.803 1.009 1.00 0.00 O ATOM 782 CB SER A 49 -15.105 32.344 -2.023 1.00 0.00 C ATOM 783 OG SER A 49 -14.052 33.190 -2.397 1.00 0.00 O ATOM 0 H SER A 49 -16.750 31.087 -0.596 1.00 0.00 H new ATOM 0 HA SER A 49 -13.956 30.690 -1.314 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.441 31.778 -2.892 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.950 32.944 -1.687 1.00 0.00 H new ATOM 0 HG SER A 49 -14.353 33.792 -3.109 1.00 0.00 H new ATOM 789 N PRO A 50 -12.748 32.042 0.354 1.00 0.00 N ATOM 790 CA PRO A 50 -12.016 32.746 1.400 1.00 0.00 C ATOM 791 C PRO A 50 -12.317 34.241 1.372 1.00 0.00 C ATOM 792 O PRO A 50 -12.370 34.853 0.305 1.00 0.00 O ATOM 793 CB PRO A 50 -10.545 32.449 1.093 1.00 0.00 C ATOM 794 CG PRO A 50 -10.575 31.156 0.350 1.00 0.00 C ATOM 795 CD PRO A 50 -11.831 31.202 -0.478 1.00 0.00 C ATOM 0 HA PRO A 50 -12.295 32.421 2.402 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.096 33.241 0.494 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.957 32.369 2.007 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.693 31.044 -0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.587 30.309 1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.653 31.646 -1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.239 30.206 -0.649 1.00 0.00 H new ATOM 803 N LYS A 51 -12.509 34.822 2.550 1.00 0.00 N ATOM 804 CA LYS A 51 -12.764 36.252 2.665 1.00 0.00 C ATOM 805 C LYS A 51 -14.020 36.653 1.903 1.00 0.00 C ATOM 806 O LYS A 51 -13.977 37.498 1.010 1.00 0.00 O ATOM 807 CB LYS A 51 -11.564 37.052 2.158 1.00 0.00 C ATOM 808 CG LYS A 51 -10.274 36.809 2.930 1.00 0.00 C ATOM 809 CD LYS A 51 -9.135 37.659 2.386 1.00 0.00 C ATOM 810 CE LYS A 51 -7.853 37.437 3.175 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.713 38.211 2.613 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.493 34.324 3.440 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.921 36.478 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.397 36.807 1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.806 38.114 2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.430 37.038 3.984 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.005 35.755 2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.966 37.415 1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.412 38.712 2.428 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.011 37.727 4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.606 36.375 3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.859 38.032 3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.545 37.917 1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.937 39.226 2.637 1.00 0.00 H new ATOM 825 N SER A 52 -15.144 36.040 2.265 1.00 0.00 N ATOM 826 CA SER A 52 -16.422 36.353 1.636 1.00 0.00 C ATOM 827 C SER A 52 -17.192 37.389 2.442 1.00 0.00 C ATOM 828 O SER A 52 -16.614 38.111 3.259 1.00 0.00 O ATOM 829 CB SER A 52 -17.248 35.092 1.473 1.00 0.00 C ATOM 830 OG SER A 52 -18.373 35.301 0.663 1.00 0.00 O ATOM 0 H SER A 52 -15.195 35.324 2.990 1.00 0.00 H new ATOM 0 HA SER A 52 -16.221 36.775 0.651 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.629 34.307 1.038 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.568 34.739 2.453 1.00 0.00 H new ATOM 0 HG SER A 52 -18.877 34.465 0.582 1.00 0.00 H new ATOM 836 N ASP A 53 -18.496 37.467 2.208 1.00 0.00 N ATOM 837 CA ASP A 53 -19.342 38.443 2.880 1.00 0.00 C ATOM 838 C ASP A 53 -19.214 38.332 4.397 1.00 0.00 C ATOM 839 O ASP A 53 -19.089 39.334 5.093 1.00 0.00 O ATOM 840 CB ASP A 53 -20.802 38.265 2.459 1.00 0.00 C ATOM 841 CG ASP A 53 -21.107 38.722 1.039 1.00 0.00 C ATOM 842 OD1 ASP A 53 -20.277 39.377 0.456 1.00 0.00 O ATOM 843 OD2 ASP A 53 -22.093 38.284 0.495 1.00 0.00 O1- ATOM 0 H ASP A 53 -18.992 36.862 1.554 1.00 0.00 H new ATOM 0 HA ASP A 53 -19.007 39.437 2.583 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -21.069 37.213 2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -21.437 38.819 3.150 1.00 0.00 H new ATOM 848 N HIS A 54 -19.252 37.100 4.899 1.00 0.00 N ATOM 849 CA HIS A 54 -19.112 36.849 6.326 1.00 0.00 C ATOM 850 C HIS A 54 -18.185 35.674 6.593 1.00 0.00 C ATOM 851 O HIS A 54 -17.849 35.384 7.743 1.00 0.00 O ATOM 852 CB HIS A 54 -20.480 36.591 6.966 1.00 0.00 C ATOM 853 CG HIS A 54 -21.414 37.759 6.882 1.00 0.00 C ATOM 854 ND1 HIS A 54 -21.270 38.883 7.669 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.502 37.977 6.108 1.00 0.00 C ATOM 856 CE1 HIS A 54 -22.232 39.743 7.379 1.00 0.00 C ATOM 857 NE2 HIS A 54 -22.991 39.218 6.436 1.00 0.00 N ATOM 0 H HIS A 54 -19.379 36.260 4.335 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.672 37.740 6.774 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -20.942 35.732 6.480 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.337 36.326 8.014 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.910 37.302 5.370 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.373 40.711 7.837 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.809 39.662 6.018 1.00 0.00 H new ATOM 865 N TYR A 55 -17.772 34.997 5.525 1.00 0.00 N ATOM 866 CA TYR A 55 -16.998 33.768 5.650 1.00 0.00 C ATOM 867 C TYR A 55 -15.523 34.013 5.365 1.00 0.00 C ATOM 868 O TYR A 55 -15.083 33.956 4.215 1.00 0.00 O ATOM 869 CB TYR A 55 -17.544 32.692 4.708 1.00 0.00 C ATOM 870 CG TYR A 55 -18.965 32.270 5.010 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.534 32.529 6.248 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.732 31.612 4.060 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.831 32.146 6.532 1.00 0.00 C ATOM 874 CE2 TYR A 55 -21.028 31.225 4.333 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.574 31.493 5.571 1.00 0.00 C ATOM 876 OH TYR A 55 -22.866 31.111 5.848 1.00 0.00 O ATOM 0 H TYR A 55 -17.961 35.280 4.563 1.00 0.00 H new ATOM 0 HA TYR A 55 -17.092 33.419 6.678 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.496 33.063 3.684 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -16.897 31.816 4.761 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.954 33.039 7.003 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.308 31.399 3.090 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -21.260 32.357 7.500 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.612 30.715 3.581 1.00 0.00 H new ATOM 0 HH TYR A 55 -22.881 30.581 6.672 1.00 0.00 H new ATOM 886 N THR A 56 -14.761 34.288 6.419 1.00 0.00 N ATOM 887 CA THR A 56 -13.333 34.558 6.282 1.00 0.00 C ATOM 888 C THR A 56 -12.508 33.314 6.578 1.00 0.00 C ATOM 889 O THR A 56 -12.570 32.761 7.676 1.00 0.00 O ATOM 890 CB THR A 56 -12.880 35.695 7.216 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.587 36.898 6.887 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.385 35.938 7.075 1.00 0.00 C ATOM 0 H THR A 56 -15.108 34.330 7.377 1.00 0.00 H new ATOM 0 HA THR A 56 -13.169 34.863 5.248 1.00 0.00 H new ATOM 0 HB THR A 56 -13.096 35.407 8.245 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.299 37.620 7.483 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.083 36.745 7.743 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.842 35.029 7.336 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.157 36.214 6.046 1.00 0.00 H new ATOM 900 N ILE A 57 -11.730 32.877 5.594 1.00 0.00 N ATOM 901 CA ILE A 57 -10.904 31.684 5.740 1.00 0.00 C ATOM 902 C ILE A 57 -9.435 32.050 5.905 1.00 0.00 C ATOM 903 O ILE A 57 -8.856 32.734 5.059 1.00 0.00 O ATOM 904 CB ILE A 57 -11.055 30.738 4.534 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.501 30.250 4.417 1.00 0.00 C ATOM 906 CG2 ILE A 57 -10.100 29.561 4.658 1.00 0.00 C ATOM 907 CD1 ILE A 57 -12.781 29.470 3.152 1.00 0.00 C ATOM 0 H ILE A 57 -11.654 33.332 4.684 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.251 31.170 6.636 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.803 31.288 3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.734 29.624 5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.169 31.110 4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.220 28.903 3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.074 29.927 4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.320 29.008 5.571 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -13.825 29.158 3.141 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.581 30.099 2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.139 28.590 3.118 1.00 0.00 H new ATOM 919 N GLN A 58 -8.834 31.592 6.998 1.00 0.00 N ATOM 920 CA GLN A 58 -7.402 31.757 7.213 1.00 0.00 C ATOM 921 C GLN A 58 -6.657 30.446 6.986 1.00 0.00 C ATOM 922 O GLN A 58 -6.903 29.454 7.675 1.00 0.00 O ATOM 923 CB GLN A 58 -7.128 32.271 8.629 1.00 0.00 C ATOM 924 CG GLN A 58 -5.659 32.529 8.923 1.00 0.00 C ATOM 925 CD GLN A 58 -5.442 33.120 10.303 1.00 0.00 C ATOM 926 OE1 GLN A 58 -6.398 33.388 11.037 1.00 0.00 O ATOM 927 NE2 GLN A 58 -4.182 33.331 10.663 1.00 0.00 N ATOM 0 H GLN A 58 -9.318 31.102 7.750 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.040 32.489 6.491 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.686 33.195 8.783 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.509 31.545 9.347 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.105 31.594 8.840 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.254 33.208 8.172 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.423 33.094 10.024 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.973 33.730 11.578 1.00 0.00 H new ATOM 936 N ARG A 59 -5.747 30.449 6.019 1.00 0.00 N ATOM 937 CA ARG A 59 -5.039 29.237 5.630 1.00 0.00 C ATOM 938 C ARG A 59 -3.624 29.220 6.196 1.00 0.00 C ATOM 939 O ARG A 59 -2.685 29.703 5.557 1.00 0.00 O ATOM 940 CB ARG A 59 -5.038 29.031 4.122 1.00 0.00 C ATOM 941 CG ARG A 59 -4.471 27.699 3.658 1.00 0.00 C ATOM 942 CD ARG A 59 -4.444 27.526 2.184 1.00 0.00 C ATOM 943 NE ARG A 59 -5.753 27.544 1.550 1.00 0.00 N ATOM 944 CZ ARG A 59 -6.567 26.477 1.444 1.00 0.00 C ATOM 945 NH1 ARG A 59 -6.198 25.297 1.892 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -7.739 26.641 0.855 1.00 0.00 N ATOM 0 H ARG A 59 -5.482 31.280 5.489 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.582 28.396 6.062 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.061 29.121 3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.464 29.834 3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.456 27.596 4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.061 26.894 4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.833 28.317 1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.954 26.580 1.951 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.077 28.428 1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.283 25.180 2.328 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.827 24.499 1.804 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.005 27.558 0.495 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.377 25.851 0.760 1.00 0.00 H new ATOM 960 N ASP A 60 -3.474 28.662 7.391 1.00 0.00 N ATOM 961 CA ASP A 60 -2.154 28.445 7.976 1.00 0.00 C ATOM 962 C ASP A 60 -1.407 27.330 7.252 1.00 0.00 C ATOM 963 O ASP A 60 -1.867 26.192 7.200 1.00 0.00 O ATOM 964 CB ASP A 60 -2.276 28.114 9.466 1.00 0.00 C ATOM 965 CG ASP A 60 -0.944 27.979 10.191 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.071 27.992 9.534 1.00 0.00 O ATOM 967 OD2 ASP A 60 -0.940 28.022 11.397 1.00 0.00 O1- ATOM 0 H ASP A 60 -4.250 28.351 7.975 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.584 29.367 7.863 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.863 28.893 9.952 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.831 27.182 9.575 1.00 0.00 H new ATOM 972 N LEU A 61 -0.254 27.671 6.688 1.00 0.00 N ATOM 973 CA LEU A 61 0.472 26.759 5.813 1.00 0.00 C ATOM 974 C LEU A 61 1.034 25.580 6.591 1.00 0.00 C ATOM 975 O LEU A 61 1.509 24.602 6.004 1.00 0.00 O ATOM 976 CB LEU A 61 1.599 27.504 5.087 1.00 0.00 C ATOM 977 CG LEU A 61 1.138 28.595 4.112 1.00 0.00 C ATOM 978 CD1 LEU A 61 2.345 29.315 3.526 1.00 0.00 C ATOM 979 CD2 LEU A 61 0.294 27.971 3.012 1.00 0.00 C ATOM 0 H LEU A 61 0.199 28.575 6.822 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.229 26.371 5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.252 27.958 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.198 26.778 4.538 1.00 0.00 H new ATOM 0 HG LEU A 61 0.531 29.327 4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.008 30.088 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.921 29.773 4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.972 28.600 2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.033 28.747 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.887 27.231 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.578 27.487 3.452 1.00 0.00 H new ATOM 991 N ASP A 62 0.984 25.669 7.915 1.00 0.00 N ATOM 992 CA ASP A 62 1.410 24.575 8.776 1.00 0.00 C ATOM 993 C ASP A 62 0.471 23.380 8.654 1.00 0.00 C ATOM 994 O ASP A 62 0.833 22.256 9.001 1.00 0.00 O ATOM 995 CB ASP A 62 1.484 25.039 10.233 1.00 0.00 C ATOM 996 CG ASP A 62 2.346 24.161 11.130 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.507 24.002 10.837 1.00 0.00 O ATOM 998 OD2 ASP A 62 1.883 23.783 12.181 1.00 0.00 O1- ATOM 0 H ASP A 62 0.651 26.492 8.416 1.00 0.00 H new ATOM 0 HA ASP A 62 2.403 24.262 8.452 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.874 26.057 10.258 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.474 25.074 10.642 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.737 23.633 8.161 1.00 0.00 N ATOM 1004 CA GLY A 63 -1.702 22.565 7.921 1.00 0.00 C ATOM 1005 C GLY A 63 -3.005 22.828 8.666 1.00 0.00 C ATOM 1006 O GLY A 63 -3.818 21.922 8.852 1.00 0.00 O ATOM 0 H GLY A 63 -1.071 24.566 7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.900 22.483 6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.282 21.612 8.242 1.00 0.00 H new ATOM 1010 N THR A 64 -3.200 24.071 9.088 1.00 0.00 N ATOM 1011 CA THR A 64 -4.398 24.453 9.832 1.00 0.00 C ATOM 1012 C THR A 64 -5.246 25.441 9.043 1.00 0.00 C ATOM 1013 O THR A 64 -4.756 26.481 8.602 1.00 0.00 O ATOM 1014 CB THR A 64 -4.045 25.074 11.195 1.00 0.00 C ATOM 1015 OG1 THR A 64 -3.347 24.110 11.995 1.00 0.00 O ATOM 1016 CG2 THR A 64 -5.305 25.513 11.925 1.00 0.00 C ATOM 0 H THR A 64 -2.543 24.835 8.928 1.00 0.00 H new ATOM 0 HA THR A 64 -4.967 23.538 9.996 1.00 0.00 H new ATOM 0 HB THR A 64 -3.413 25.946 11.027 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.121 24.507 12.862 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.035 25.950 12.887 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.833 26.254 11.325 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.951 24.650 12.087 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.520 25.110 8.865 1.00 0.00 N ATOM 1025 CA CYS A 65 -7.457 26.006 8.198 1.00 0.00 C ATOM 1026 C CYS A 65 -8.557 26.459 9.151 1.00 0.00 C ATOM 1027 O CYS A 65 -9.247 25.637 9.755 1.00 0.00 O ATOM 1028 CB CYS A 65 -8.034 25.125 7.089 1.00 0.00 C ATOM 1029 SG CYS A 65 -6.826 24.581 5.858 1.00 0.00 S ATOM 0 H CYS A 65 -6.928 24.227 9.173 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.990 26.920 7.832 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -8.493 24.246 7.542 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.828 25.674 6.583 1.00 0.00 H new ATOM 0 HG CYS A 65 -7.363 24.624 4.675 1.00 0.00 H new ATOM 1035 N SER A 66 -8.713 27.772 9.281 1.00 0.00 N ATOM 1036 CA SER A 66 -9.686 28.338 10.208 1.00 0.00 C ATOM 1037 C SER A 66 -10.777 29.099 9.464 1.00 0.00 C ATOM 1038 O SER A 66 -10.495 29.906 8.578 1.00 0.00 O ATOM 1039 CB SER A 66 -8.992 29.248 11.202 1.00 0.00 C ATOM 1040 OG SER A 66 -9.901 29.892 12.050 1.00 0.00 O ATOM 0 H SER A 66 -8.178 28.464 8.756 1.00 0.00 H new ATOM 0 HA SER A 66 -10.158 27.517 10.748 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.291 28.665 11.799 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.408 29.994 10.663 1.00 0.00 H new ATOM 0 HG SER A 66 -9.413 30.467 12.676 1.00 0.00 H new ATOM 1046 N LEU A 67 -12.027 28.836 9.831 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.163 29.541 9.244 1.00 0.00 C ATOM 1048 C LEU A 67 -13.845 30.432 10.270 1.00 0.00 C ATOM 1049 O LEU A 67 -14.331 29.951 11.296 1.00 0.00 O ATOM 1050 CB LEU A 67 -14.165 28.538 8.659 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.439 29.157 8.070 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -15.083 30.073 6.905 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.380 28.051 7.617 1.00 0.00 C ATOM 0 H LEU A 67 -12.280 28.140 10.532 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.789 30.177 8.441 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.666 27.962 7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.450 27.835 9.442 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.940 29.753 8.833 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.993 30.508 6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.427 30.869 7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.574 29.497 6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.285 28.492 7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.888 27.443 6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.642 27.425 8.470 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.880 31.731 9.993 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.563 32.683 10.858 1.00 0.00 C ATOM 1067 C HIS A 68 -15.845 33.196 10.213 1.00 0.00 C ATOM 1068 O HIS A 68 -15.825 33.710 9.095 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.641 33.857 11.202 1.00 0.00 C ATOM 1070 CG HIS A 68 -14.348 35.007 11.850 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.878 34.932 13.122 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -14.613 36.257 11.404 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -15.438 36.090 13.429 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -15.291 36.909 12.404 1.00 0.00 N ATOM 0 H HIS A 68 -13.441 32.149 9.173 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.829 32.162 11.777 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.852 33.505 11.867 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.157 34.207 10.290 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.342 36.665 10.442 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.932 36.326 14.360 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.627 37.871 12.362 1.00 0.00 H new ATOM 1082 N THR A 69 -16.958 33.054 10.925 1.00 0.00 N ATOM 1083 CA THR A 69 -18.221 33.645 10.495 1.00 0.00 C ATOM 1084 C THR A 69 -18.514 34.928 11.262 1.00 0.00 C ATOM 1085 O THR A 69 -18.705 34.908 12.479 1.00 0.00 O ATOM 1086 CB THR A 69 -19.397 32.668 10.682 1.00 0.00 C ATOM 1087 OG1 THR A 69 -19.160 31.480 9.915 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.700 33.308 10.228 1.00 0.00 C ATOM 0 H THR A 69 -17.012 32.535 11.802 1.00 0.00 H new ATOM 0 HA THR A 69 -18.117 33.872 9.434 1.00 0.00 H new ATOM 0 HB THR A 69 -19.477 32.417 11.740 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.908 30.858 10.036 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.520 32.603 10.368 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.889 34.206 10.817 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.626 33.575 9.174 1.00 0.00 H new ATOM 1096 N THR A 70 -18.545 36.045 10.544 1.00 0.00 N ATOM 1097 CA THR A 70 -18.712 37.353 11.167 1.00 0.00 C ATOM 1098 C THR A 70 -20.078 37.479 11.829 1.00 0.00 C ATOM 1099 O THR A 70 -20.194 37.984 12.946 1.00 0.00 O ATOM 1100 CB THR A 70 -18.541 38.492 10.144 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.209 38.466 9.614 1.00 0.00 O ATOM 1102 CG2 THR A 70 -18.796 39.841 10.800 1.00 0.00 C ATOM 0 H THR A 70 -18.457 36.071 9.528 1.00 0.00 H new ATOM 0 HA THR A 70 -17.935 37.440 11.927 1.00 0.00 H new ATOM 0 HB THR A 70 -19.262 38.349 9.339 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.102 39.190 8.962 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.671 40.634 10.062 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.812 39.868 11.193 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.088 39.989 11.615 1.00 0.00 H new ATOM 1110 N ALA A 71 -21.109 37.015 11.132 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.480 37.137 11.625 1.00 0.00 C ATOM 1112 C ALA A 71 -23.295 35.894 11.289 1.00 0.00 C ATOM 1113 O ALA A 71 -23.960 35.837 10.253 1.00 0.00 O ATOM 1114 CB ALA A 71 -23.140 38.378 11.046 1.00 0.00 C ATOM 0 H ALA A 71 -21.025 36.552 10.227 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.444 37.233 12.710 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -24.160 38.456 11.421 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.575 39.262 11.342 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -23.158 38.307 9.958 1.00 0.00 H new ATOM 1120 N SER A 72 -23.241 34.902 12.171 1.00 0.00 N ATOM 1121 CA SER A 72 -23.933 33.639 11.948 1.00 0.00 C ATOM 1122 C SER A 72 -25.413 33.754 12.291 1.00 0.00 C ATOM 1123 O SER A 72 -25.783 33.795 13.464 1.00 0.00 O ATOM 1124 CB SER A 72 -23.284 32.538 12.763 1.00 0.00 C ATOM 1125 OG SER A 72 -23.911 31.300 12.571 1.00 0.00 O ATOM 0 H SER A 72 -22.724 34.949 13.049 1.00 0.00 H new ATOM 0 HA SER A 72 -23.854 33.390 10.890 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.232 32.457 12.489 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.319 32.801 13.820 1.00 0.00 H new ATOM 0 HG SER A 72 -23.485 30.830 11.824 1.00 0.00 H new ATOM 1131 N THR A 73 -26.252 33.802 11.263 1.00 0.00 N ATOM 1132 CA THR A 73 -27.692 33.914 11.455 1.00 0.00 C ATOM 1133 C THR A 73 -28.391 32.594 11.163 1.00 0.00 C ATOM 1134 O THR A 73 -27.750 31.603 10.822 1.00 0.00 O ATOM 1135 CB THR A 73 -28.298 35.014 10.563 1.00 0.00 C ATOM 1136 OG1 THR A 73 -28.175 34.635 9.186 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.583 36.337 10.786 1.00 0.00 C ATOM 0 H THR A 73 -25.959 33.765 10.287 1.00 0.00 H new ATOM 0 HA THR A 73 -27.849 34.180 12.500 1.00 0.00 H new ATOM 0 HB THR A 73 -29.350 35.134 10.823 1.00 0.00 H new ATOM 0 HG1 THR A 73 -27.233 34.467 8.976 1.00 0.00 H new ATOM 0 HG21 THR A 73 -28.025 37.102 10.147 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.684 36.634 11.830 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.527 36.226 10.541 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.716 32.588 11.306 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.501 31.379 11.087 1.00 0.00 C ATOM 1147 C LEU A 74 -30.350 30.873 9.657 1.00 0.00 C ATOM 1148 O LEU A 74 -30.469 29.677 9.397 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.977 31.644 11.406 1.00 0.00 C ATOM 1150 CG LEU A 74 -32.286 31.923 12.883 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -33.750 32.307 13.047 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -31.955 30.693 13.714 1.00 0.00 C ATOM 0 H LEU A 74 -30.265 33.406 11.572 1.00 0.00 H new ATOM 0 HA LEU A 74 -30.125 30.605 11.757 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -32.313 32.495 10.814 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.562 30.782 11.085 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.674 32.755 13.231 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.959 32.503 14.099 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.959 33.203 12.462 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.382 31.490 12.697 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -32.175 30.893 14.763 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.555 29.850 13.371 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.897 30.454 13.604 1.00 0.00 H new ATOM 1164 N ASP A 75 -30.085 31.793 8.734 1.00 0.00 N ATOM 1165 CA ASP A 75 -29.834 31.433 7.346 1.00 0.00 C ATOM 1166 C ASP A 75 -28.427 30.868 7.172 1.00 0.00 C ATOM 1167 O ASP A 75 -28.131 30.214 6.170 1.00 0.00 O ATOM 1168 CB ASP A 75 -30.034 32.646 6.434 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.486 33.071 6.262 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.354 32.311 6.622 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -31.715 34.207 5.920 1.00 0.00 O1- ATOM 0 H ASP A 75 -30.039 32.794 8.925 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.549 30.660 7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.468 33.486 6.837 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.615 32.421 5.453 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.567 31.126 8.147 1.00 0.00 N ATOM 1177 CA ASP A 76 -26.202 30.612 8.123 1.00 0.00 C ATOM 1178 C ASP A 76 -26.089 29.309 8.901 1.00 0.00 C ATOM 1179 O ASP A 76 -25.112 28.570 8.758 1.00 0.00 O ATOM 1180 CB ASP A 76 -25.228 31.650 8.691 1.00 0.00 C ATOM 1181 CG ASP A 76 -25.154 32.945 7.894 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -24.903 32.878 6.714 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.502 33.970 8.431 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.790 31.690 8.967 1.00 0.00 H new ATOM 0 HA ASP A 76 -25.941 30.411 7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.521 31.884 9.714 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.232 31.209 8.738 1.00 0.00 H new ATOM 1188 N ASP A 77 -27.091 29.027 9.725 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.165 27.756 10.438 1.00 0.00 C ATOM 1190 C ASP A 77 -27.090 26.578 9.474 1.00 0.00 C ATOM 1191 O ASP A 77 -27.831 26.519 8.491 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.451 27.679 11.264 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.556 26.445 12.150 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -27.858 25.491 11.893 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.210 26.518 13.162 1.00 0.00 O1- ATOM 0 H ASP A 77 -27.866 29.662 9.917 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.309 27.701 11.110 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.520 28.568 11.891 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.305 27.699 10.587 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.192 25.643 9.758 1.00 0.00 N ATOM 1201 CA GLY A 78 -26.010 24.470 8.911 1.00 0.00 C ATOM 1202 C GLY A 78 -24.658 23.815 9.160 1.00 0.00 C ATOM 1203 O GLY A 78 -24.007 24.074 10.171 1.00 0.00 O ATOM 0 H GLY A 78 -25.576 25.674 10.571 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.806 23.751 9.105 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.089 24.759 7.863 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.237 22.965 8.228 1.00 0.00 N ATOM 1208 CA ASN A 79 -23.021 22.184 8.400 1.00 0.00 C ATOM 1209 C ASN A 79 -21.890 22.729 7.539 1.00 0.00 C ATOM 1210 O ASN A 79 -21.901 22.587 6.316 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.259 20.716 8.089 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.287 20.069 8.975 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.134 20.008 10.200 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.296 19.512 8.353 1.00 0.00 N ATOM 0 H ASN A 79 -24.722 22.801 7.346 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.727 22.268 9.446 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.576 20.621 7.050 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.317 20.176 8.186 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -26.001 18.999 8.882 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.377 19.591 7.339 1.00 0.00 H new ATOM 1221 N TYR A 80 -20.913 23.356 8.184 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.747 23.884 7.483 1.00 0.00 C ATOM 1223 C TYR A 80 -18.684 22.814 7.293 1.00 0.00 C ATOM 1224 O TYR A 80 -17.622 22.859 7.913 1.00 0.00 O ATOM 1225 CB TYR A 80 -19.160 25.076 8.246 1.00 0.00 C ATOM 1226 CG TYR A 80 -20.058 26.292 8.269 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -21.165 26.345 9.104 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.792 27.385 7.455 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -21.987 27.457 9.128 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.610 28.502 7.471 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.705 28.533 8.309 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.521 29.639 8.331 1.00 0.00 O ATOM 0 H TYR A 80 -20.905 23.512 9.192 1.00 0.00 H new ATOM 0 HA TYR A 80 -20.074 24.216 6.498 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -18.952 24.771 9.272 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.206 25.349 7.795 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.388 25.505 9.745 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.934 27.364 6.799 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.845 27.484 9.784 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.392 29.344 6.831 1.00 0.00 H new ATOM 0 HH TYR A 80 -23.455 29.355 8.411 1.00 0.00 H new ATOM 1242 N THR A 81 -18.974 21.845 6.428 1.00 0.00 N ATOM 1243 CA THR A 81 -18.116 20.678 6.263 1.00 0.00 C ATOM 1244 C THR A 81 -16.791 21.061 5.615 1.00 0.00 C ATOM 1245 O THR A 81 -16.761 21.804 4.634 1.00 0.00 O ATOM 1246 CB THR A 81 -18.796 19.590 5.414 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.030 19.201 6.030 1.00 0.00 O ATOM 1248 CG2 THR A 81 -17.893 18.373 5.284 1.00 0.00 C ATOM 0 H THR A 81 -19.800 21.847 5.829 1.00 0.00 H new ATOM 0 HA THR A 81 -17.930 20.280 7.261 1.00 0.00 H new ATOM 0 HB THR A 81 -18.990 19.994 4.420 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.463 18.509 5.487 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.390 17.614 4.680 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.958 18.663 4.804 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.682 17.969 6.274 1.00 0.00 H new ATOM 1256 N ILE A 82 -15.698 20.547 6.169 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.375 20.771 5.600 1.00 0.00 C ATOM 1258 C ILE A 82 -13.814 19.493 4.991 1.00 0.00 C ATOM 1259 O ILE A 82 -13.923 18.415 5.575 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.388 21.303 6.656 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -12.018 21.563 6.023 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.267 20.323 7.812 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -11.001 22.138 6.983 1.00 0.00 C ATOM 0 H ILE A 82 -15.703 19.972 7.012 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.492 21.521 4.817 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.771 22.246 7.045 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.632 20.628 5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -12.140 22.248 5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.566 20.714 8.549 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.243 20.186 8.277 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.905 19.365 7.440 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.057 22.295 6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.364 23.090 7.370 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -10.848 21.444 7.810 1.00 0.00 H new ATOM 1275 N MET A 83 -13.214 19.617 3.812 1.00 0.00 N ATOM 1276 CA MET A 83 -12.670 18.470 3.102 1.00 0.00 C ATOM 1277 C MET A 83 -11.217 18.702 2.705 1.00 0.00 C ATOM 1278 O MET A 83 -10.884 19.721 2.100 1.00 0.00 O ATOM 1279 CB MET A 83 -13.514 18.166 1.866 1.00 0.00 C ATOM 1280 CG MET A 83 -13.075 16.932 1.092 1.00 0.00 C ATOM 1281 SD MET A 83 -14.145 16.579 -0.318 1.00 0.00 S ATOM 1282 CE MET A 83 -15.628 16.018 0.515 1.00 0.00 C ATOM 0 H MET A 83 -13.093 20.506 3.328 1.00 0.00 H new ATOM 0 HA MET A 83 -12.701 17.613 3.774 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.552 18.037 2.173 1.00 0.00 H new ATOM 0 HB3 MET A 83 -13.483 19.028 1.199 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.053 17.073 0.741 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.067 16.072 1.761 1.00 0.00 H new ATOM 0 HE1 MET A 83 -15.863 15.003 0.195 1.00 0.00 H new ATOM 0 HE2 MET A 83 -15.467 16.030 1.593 1.00 0.00 H new ATOM 0 HE3 MET A 83 -16.458 16.679 0.265 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.352 17.752 3.051 1.00 0.00 N ATOM 1293 CA ALA A 84 -8.963 17.789 2.618 1.00 0.00 C ATOM 1294 C ALA A 84 -8.741 16.890 1.407 1.00 0.00 C ATOM 1295 O ALA A 84 -8.015 15.898 1.481 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.043 17.382 3.760 1.00 0.00 C ATOM 0 H ALA A 84 -10.591 16.948 3.631 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.726 18.812 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.007 17.414 3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.174 18.070 4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.288 16.370 4.082 1.00 0.00 H new ATOM 1302 N ALA A 85 -9.368 17.243 0.290 1.00 0.00 N ATOM 1303 CA ALA A 85 -9.338 16.409 -0.903 1.00 0.00 C ATOM 1304 C ALA A 85 -7.992 16.503 -1.609 1.00 0.00 C ATOM 1305 O ALA A 85 -7.379 17.570 -1.655 1.00 0.00 O ATOM 1306 CB ALA A 85 -10.468 16.795 -1.847 1.00 0.00 C ATOM 0 H ALA A 85 -9.905 18.104 0.187 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.479 15.373 -0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.433 16.163 -2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.425 16.660 -1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -10.356 17.839 -2.140 1.00 0.00 H new ATOM 1312 N ASN A 86 -7.536 15.382 -2.159 1.00 0.00 N ATOM 1313 CA ASN A 86 -6.358 15.373 -3.017 1.00 0.00 C ATOM 1314 C ASN A 86 -6.382 14.184 -3.969 1.00 0.00 C ATOM 1315 O ASN A 86 -7.259 13.327 -3.886 1.00 0.00 O ATOM 1316 CB ASN A 86 -5.077 15.367 -2.203 1.00 0.00 C ATOM 1317 CG ASN A 86 -4.810 14.064 -1.503 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -5.345 13.014 -1.877 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -4.051 14.139 -0.440 1.00 0.00 N ATOM 0 H ASN A 86 -7.966 14.467 -2.025 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.381 16.290 -3.606 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.238 15.594 -2.861 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.125 16.164 -1.461 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.878 13.306 0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.633 15.030 -0.174 1.00 0.00 H new ATOM 1326 N PRO A 87 -5.407 14.138 -4.873 1.00 0.00 N ATOM 1327 CA PRO A 87 -5.376 13.120 -5.914 1.00 0.00 C ATOM 1328 C PRO A 87 -5.321 11.720 -5.318 1.00 0.00 C ATOM 1329 O PRO A 87 -5.734 10.748 -5.947 1.00 0.00 O ATOM 1330 CB PRO A 87 -4.117 13.451 -6.723 1.00 0.00 C ATOM 1331 CG PRO A 87 -3.916 14.913 -6.514 1.00 0.00 C ATOM 1332 CD PRO A 87 -4.350 15.178 -5.097 1.00 0.00 C ATOM 0 HA PRO A 87 -6.272 13.125 -6.534 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -3.258 12.878 -6.374 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -4.250 13.215 -7.779 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.873 15.191 -6.664 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.506 15.496 -7.221 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.523 15.072 -4.394 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.744 16.187 -4.977 1.00 0.00 H new ATOM 1340 N GLN A 88 -4.812 11.625 -4.093 1.00 0.00 N ATOM 1341 CA GLN A 88 -4.524 10.332 -3.481 1.00 0.00 C ATOM 1342 C GLN A 88 -5.658 9.888 -2.568 1.00 0.00 C ATOM 1343 O GLN A 88 -5.611 8.807 -1.985 1.00 0.00 O ATOM 1344 CB GLN A 88 -3.217 10.396 -2.685 1.00 0.00 C ATOM 1345 CG GLN A 88 -2.038 10.949 -3.467 1.00 0.00 C ATOM 1346 CD GLN A 88 -1.744 10.142 -4.718 1.00 0.00 C ATOM 1347 OE1 GLN A 88 -1.713 8.909 -4.686 1.00 0.00 O ATOM 1348 NE2 GLN A 88 -1.522 10.837 -5.830 1.00 0.00 N ATOM 0 H GLN A 88 -4.591 12.428 -3.505 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.422 9.602 -4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.373 11.013 -1.800 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.969 9.394 -2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.243 11.983 -3.745 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.155 10.959 -2.829 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.558 11.856 -5.810 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.316 10.351 -6.703 1.00 0.00 H new ATOM 1357 N GLY A 89 -6.678 10.731 -2.446 1.00 0.00 N ATOM 1358 CA GLY A 89 -7.809 10.444 -1.573 1.00 0.00 C ATOM 1359 C GLY A 89 -8.340 11.715 -0.921 1.00 0.00 C ATOM 1360 O GLY A 89 -7.873 12.817 -1.220 1.00 0.00 O ATOM 0 H GLY A 89 -6.744 11.620 -2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.603 9.968 -2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.506 9.736 -0.802 1.00 0.00 H new ATOM 1364 N ARG A 90 -9.314 11.556 -0.031 1.00 0.00 N ATOM 1365 CA ARG A 90 -9.952 12.696 0.616 1.00 0.00 C ATOM 1366 C ARG A 90 -10.407 12.345 2.028 1.00 0.00 C ATOM 1367 O ARG A 90 -10.563 11.168 2.363 1.00 0.00 O ATOM 1368 CB ARG A 90 -11.096 13.259 -0.215 1.00 0.00 C ATOM 1369 CG ARG A 90 -12.279 12.321 -0.392 1.00 0.00 C ATOM 1370 CD ARG A 90 -13.393 12.888 -1.195 1.00 0.00 C ATOM 1371 NE ARG A 90 -14.563 12.030 -1.290 1.00 0.00 N ATOM 1372 CZ ARG A 90 -15.691 12.344 -1.959 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -15.820 13.507 -2.559 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -16.673 11.462 -1.977 1.00 0.00 N ATOM 0 H ARG A 90 -9.679 10.648 0.259 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.202 13.483 0.694 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.447 14.179 0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.713 13.527 -1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.933 11.404 -0.869 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.659 12.045 0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.691 13.841 -0.758 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.029 13.098 -2.201 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.528 11.127 -0.817 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -15.060 14.187 -2.522 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -16.680 13.729 -3.061 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.567 10.571 -1.493 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -17.538 11.672 -2.475 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.616 13.364 2.847 1.00 0.00 N ATOM 1389 CA VAL A 91 -11.180 13.176 4.180 1.00 0.00 C ATOM 1390 C VAL A 91 -12.034 14.367 4.592 1.00 0.00 C ATOM 1391 O VAL A 91 -11.678 15.518 4.330 1.00 0.00 O ATOM 1392 CB VAL A 91 -10.079 12.960 5.234 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -9.154 14.166 5.295 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -10.694 12.691 6.600 1.00 0.00 C ATOM 0 H VAL A 91 -10.404 14.334 2.613 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.805 12.285 4.131 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.491 12.090 4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.382 13.995 6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.687 14.316 4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.729 15.053 5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.901 12.541 7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.306 13.542 6.897 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.316 11.797 6.549 1.00 0.00 H new ATOM 1404 N SER A 92 -13.159 14.089 5.240 1.00 0.00 N ATOM 1405 CA SER A 92 -14.174 15.105 5.486 1.00 0.00 C ATOM 1406 C SER A 92 -14.596 15.123 6.948 1.00 0.00 C ATOM 1407 O SER A 92 -14.784 14.073 7.565 1.00 0.00 O ATOM 1408 CB SER A 92 -15.376 14.867 4.593 1.00 0.00 C ATOM 1409 OG SER A 92 -16.417 15.767 4.859 1.00 0.00 O ATOM 0 H SER A 92 -13.391 13.165 5.605 1.00 0.00 H new ATOM 0 HA SER A 92 -13.743 16.078 5.252 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.076 14.959 3.549 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.735 13.847 4.733 1.00 0.00 H new ATOM 0 HG SER A 92 -17.171 15.581 4.261 1.00 0.00 H new ATOM 1415 N CYS A 93 -14.743 16.321 7.503 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.309 16.486 8.835 1.00 0.00 C ATOM 1417 C CYS A 93 -16.416 17.531 8.841 1.00 0.00 C ATOM 1418 O CYS A 93 -16.306 18.573 8.193 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.112 16.968 9.654 1.00 0.00 C ATOM 1420 SG CYS A 93 -12.836 15.714 9.925 1.00 0.00 S ATOM 0 H CYS A 93 -14.477 17.194 7.048 1.00 0.00 H new ATOM 0 HA CYS A 93 -15.765 15.574 9.220 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.662 17.823 9.149 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -14.468 17.321 10.622 1.00 0.00 H new ATOM 0 HG CYS A 93 -11.701 16.142 9.458 1.00 0.00 H new ATOM 1426 N THR A 94 -17.489 17.246 9.575 1.00 0.00 N ATOM 1427 CA THR A 94 -18.689 18.072 9.523 1.00 0.00 C ATOM 1428 C THR A 94 -18.608 19.225 10.514 1.00 0.00 C ATOM 1429 O THR A 94 -18.511 19.009 11.724 1.00 0.00 O ATOM 1430 CB THR A 94 -19.954 17.244 9.816 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.082 16.199 8.842 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.192 18.129 9.769 1.00 0.00 C ATOM 0 H THR A 94 -17.551 16.451 10.211 1.00 0.00 H new ATOM 0 HA THR A 94 -18.752 18.472 8.511 1.00 0.00 H new ATOM 0 HB THR A 94 -19.864 16.812 10.813 1.00 0.00 H new ATOM 0 HG1 THR A 94 -20.886 15.672 9.031 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.077 17.528 9.978 1.00 0.00 H new ATOM 0 HG22 THR A 94 -21.104 18.918 10.516 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.283 18.576 8.779 1.00 0.00 H new ATOM 1440 N GLY A 95 -18.646 20.448 9.998 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.577 21.638 10.839 1.00 0.00 C ATOM 1442 C GLY A 95 -19.964 22.075 11.292 1.00 0.00 C ATOM 1443 O GLY A 95 -20.396 23.191 11.004 1.00 0.00 O ATOM 0 H GLY A 95 -18.724 20.642 9.000 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.954 21.435 11.710 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.100 22.448 10.288 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.655 21.191 12.002 1.00 0.00 N ATOM 1448 CA ARG A 96 -21.996 21.484 12.494 1.00 0.00 C ATOM 1449 C ARG A 96 -22.023 22.784 13.285 1.00 0.00 C ATOM 1450 O ARG A 96 -21.421 22.882 14.353 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.575 20.331 13.301 1.00 0.00 C ATOM 1452 CG ARG A 96 -24.001 20.543 13.787 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.587 19.376 14.494 1.00 0.00 C ATOM 1454 NE ARG A 96 -25.965 19.560 14.921 1.00 0.00 N ATOM 1455 CZ ARG A 96 -26.644 18.700 15.706 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.093 17.580 16.119 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -27.889 19.000 16.030 1.00 0.00 N ATOM 0 H ARG A 96 -20.308 20.264 12.250 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.635 21.612 11.620 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.545 19.428 12.691 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -21.935 20.153 14.165 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -24.020 21.404 14.455 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.631 20.788 12.932 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.536 18.507 13.838 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -23.976 19.152 15.368 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.452 20.399 14.604 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.137 17.351 15.846 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -26.621 16.940 16.713 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.311 19.863 15.687 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -28.428 18.369 16.623 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.722 23.781 12.754 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.923 25.038 13.465 1.00 0.00 C ATOM 1473 C LEU A 97 -24.407 25.354 13.620 1.00 0.00 C ATOM 1474 O LEU A 97 -25.085 25.685 12.644 1.00 0.00 O ATOM 1475 CB LEU A 97 -22.207 26.180 12.733 1.00 0.00 C ATOM 1476 CG LEU A 97 -22.373 27.567 13.366 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -21.746 27.586 14.753 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -21.730 28.617 12.470 1.00 0.00 C ATOM 0 H LEU A 97 -23.159 23.743 11.833 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.497 24.934 14.463 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.144 25.947 12.681 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.575 26.220 11.708 1.00 0.00 H new ATOM 0 HG LEU A 97 -23.434 27.795 13.467 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -21.869 28.575 15.194 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -22.235 26.844 15.384 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.684 27.353 14.675 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -21.849 29.602 12.921 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.669 28.396 12.354 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -22.212 28.605 11.492 1.00 0.00 H new ATOM 1490 N MET A 98 -24.904 25.251 14.847 1.00 0.00 N ATOM 1491 CA MET A 98 -26.298 25.564 15.138 1.00 0.00 C ATOM 1492 C MET A 98 -26.447 26.993 15.639 1.00 0.00 C ATOM 1493 O MET A 98 -25.616 27.486 16.404 1.00 0.00 O ATOM 1494 CB MET A 98 -26.857 24.583 16.167 1.00 0.00 C ATOM 1495 CG MET A 98 -26.864 23.130 15.713 1.00 0.00 C ATOM 1496 SD MET A 98 -27.898 22.861 14.259 1.00 0.00 S ATOM 1497 CE MET A 98 -29.526 23.153 14.945 1.00 0.00 C ATOM 0 H MET A 98 -24.361 24.953 15.658 1.00 0.00 H new ATOM 0 HA MET A 98 -26.865 25.469 14.212 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.270 24.662 17.082 1.00 0.00 H new ATOM 0 HB3 MET A 98 -27.876 24.878 16.416 1.00 0.00 H new ATOM 0 HG2 MET A 98 -25.844 22.818 15.491 1.00 0.00 H new ATOM 0 HG3 MET A 98 -27.220 22.500 16.529 1.00 0.00 H new ATOM 0 HE1 MET A 98 -30.283 22.757 14.268 1.00 0.00 H new ATOM 0 HE2 MET A 98 -29.608 22.656 15.911 1.00 0.00 H new ATOM 0 HE3 MET A 98 -29.680 24.224 15.074 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.513 27.660 15.203 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.734 29.061 15.543 1.00 0.00 C ATOM 1509 C VAL A 99 -28.988 29.230 16.390 1.00 0.00 C ATOM 1510 O VAL A 99 -30.059 28.739 16.037 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.855 29.937 14.282 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -28.143 31.382 14.664 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.587 29.851 13.448 1.00 0.00 C ATOM 0 H VAL A 99 -28.237 27.251 14.613 1.00 0.00 H new ATOM 0 HA VAL A 99 -26.866 29.386 16.116 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.686 29.565 13.683 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -28.225 31.987 13.761 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -29.079 31.432 15.221 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.331 31.763 15.284 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.692 30.476 12.561 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.739 30.197 14.039 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.420 28.817 13.145 1.00 0.00 H new ATOM 1523 N GLN A 100 -28.846 29.930 17.513 1.00 0.00 N ATOM 1524 CA GLN A 100 -29.975 30.199 18.394 1.00 0.00 C ATOM 1525 C GLN A 100 -30.673 31.496 18.014 1.00 0.00 C ATOM 1526 O GLN A 100 -30.071 32.570 18.037 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.510 30.269 19.852 1.00 0.00 C ATOM 1528 CG GLN A 100 -28.941 28.966 20.388 1.00 0.00 C ATOM 1529 CD GLN A 100 -29.983 27.868 20.466 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -31.069 28.061 21.022 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -29.659 26.705 19.913 1.00 0.00 N ATOM 0 H GLN A 100 -27.960 30.320 17.833 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.686 29.380 18.282 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -28.753 31.048 19.943 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -30.352 30.569 20.476 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -28.121 28.640 19.748 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -28.522 29.137 21.380 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -28.751 26.589 19.464 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -30.319 25.927 19.937 1.00 0.00 H new ATOM 1540 N ALA A 101 -31.952 31.393 17.663 1.00 0.00 N ATOM 1541 CA ALA A 101 -32.723 32.552 17.229 1.00 0.00 C ATOM 1542 C ALA A 101 -32.799 33.605 18.326 1.00 0.00 C ATOM 1543 O ALA A 101 -33.020 33.286 19.495 1.00 0.00 O ATOM 1544 CB ALA A 101 -34.123 32.128 16.802 1.00 0.00 C ATOM 0 H ALA A 101 -32.476 30.518 17.671 1.00 0.00 H new ATOM 0 HA ALA A 101 -32.213 32.994 16.373 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -34.686 33.004 16.481 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -34.053 31.419 15.977 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -34.633 31.657 17.643 1.00 0.00 H new ATOM 1550 N VAL A 102 -32.612 34.866 17.943 1.00 0.00 N ATOM 1551 CA VAL A 102 -32.665 35.969 18.892 1.00 0.00 C ATOM 1552 C VAL A 102 -33.782 36.943 18.541 1.00 0.00 C ATOM 1553 O VAL A 102 -33.738 37.608 17.506 1.00 0.00 O ATOM 1554 CB VAL A 102 -31.328 36.732 18.944 1.00 0.00 C ATOM 1555 CG1 VAL A 102 -31.417 37.896 19.920 1.00 0.00 C ATOM 1556 CG2 VAL A 102 -30.196 35.795 19.338 1.00 0.00 C ATOM 0 H VAL A 102 -32.422 35.147 16.981 1.00 0.00 H new ATOM 0 HA VAL A 102 -32.862 35.533 19.871 1.00 0.00 H new ATOM 0 HB VAL A 102 -31.119 37.129 17.951 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -30.464 38.424 19.944 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -32.203 38.580 19.600 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -31.648 37.519 20.916 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -29.259 36.350 19.370 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -30.400 35.371 20.321 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -30.117 34.992 18.606 1.00 0.00 H new ATOM 1566 N ASN A 103 -34.783 37.026 19.411 1.00 0.00 N ATOM 1567 CA ASN A 103 -35.961 37.843 19.148 1.00 0.00 C ATOM 1568 C ASN A 103 -35.627 39.327 19.214 1.00 0.00 C ATOM 1569 O ASN A 103 -36.334 40.157 18.640 1.00 0.00 O ATOM 1570 CB ASN A 103 -37.090 37.516 20.109 1.00 0.00 C ATOM 1571 CG ASN A 103 -37.743 36.187 19.846 1.00 0.00 C ATOM 1572 OD1 ASN A 103 -37.663 35.642 18.740 1.00 0.00 O ATOM 1573 ND2 ASN A 103 -38.457 35.704 20.830 1.00 0.00 N ATOM 0 H ASN A 103 -34.801 36.536 20.306 1.00 0.00 H new ATOM 0 HA ASN A 103 -36.296 37.609 18.138 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -36.702 37.525 21.128 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -37.845 38.300 20.049 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -38.981 34.838 20.703 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -38.490 36.193 21.724 1.00 0.00 H new ATOM 1580 N GLN A 104 -34.548 39.656 19.913 1.00 0.00 N ATOM 1581 CA GLN A 104 -34.122 41.041 20.060 1.00 0.00 C ATOM 1582 C GLN A 104 -33.263 41.486 18.883 1.00 0.00 C ATOM 1583 O GLN A 104 -32.908 42.658 18.767 1.00 0.00 O ATOM 1584 CB GLN A 104 -33.344 41.225 21.366 1.00 0.00 C ATOM 1585 CG GLN A 104 -34.144 40.908 22.618 1.00 0.00 C ATOM 1586 CD GLN A 104 -35.374 41.787 22.756 1.00 0.00 C ATOM 1587 OE1 GLN A 104 -35.305 43.006 22.579 1.00 0.00 O ATOM 1588 NE2 GLN A 104 -36.505 41.172 23.077 1.00 0.00 N ATOM 0 H GLN A 104 -33.950 38.980 20.388 1.00 0.00 H new ATOM 0 HA GLN A 104 -35.018 41.661 20.084 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -32.460 40.587 21.342 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -32.992 42.255 21.424 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -34.449 39.862 22.596 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -33.509 41.036 23.494 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -36.515 40.161 23.214 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -37.365 41.710 23.187 1.00 0.00 H new ATOM 1597 N ARG A 105 -32.932 40.537 18.011 1.00 0.00 N ATOM 1598 CA ARG A 105 -32.135 40.831 16.829 1.00 0.00 C ATOM 1599 C ARG A 105 -32.948 41.591 15.788 1.00 0.00 C ATOM 1600 O ARG A 105 -33.902 41.058 15.223 1.00 0.00 O ATOM 1601 CB ARG A 105 -31.504 39.579 16.237 1.00 0.00 C ATOM 1602 CG ARG A 105 -30.633 39.818 15.015 1.00 0.00 C ATOM 1603 CD ARG A 105 -29.344 40.499 15.305 1.00 0.00 C ATOM 1604 NE ARG A 105 -28.414 39.712 16.100 1.00 0.00 N ATOM 1605 CZ ARG A 105 -27.337 40.215 16.736 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -27.030 41.490 16.644 1.00 0.00 N1+ ATOM 1607 NH2 ARG A 105 -26.583 39.386 17.435 1.00 0.00 N ATOM 0 H ARG A 105 -33.205 39.558 18.103 1.00 0.00 H new ATOM 0 HA ARG A 105 -31.317 41.477 17.148 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -30.901 39.095 17.006 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -32.298 38.882 15.969 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -30.425 38.860 14.539 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -31.193 40.416 14.296 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -28.865 40.761 14.361 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -29.550 41.433 15.828 1.00 0.00 H new ATOM 0 HE ARG A 105 -28.589 38.710 16.182 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -27.610 42.115 16.085 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -26.211 41.854 17.132 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -26.822 38.396 17.482 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -25.761 39.736 17.927 1.00 0.00 H new ATOM 1621 N GLY A 106 -32.566 42.841 15.540 1.00 0.00 N ATOM 1622 CA GLY A 106 -33.310 43.702 14.631 1.00 0.00 C ATOM 1623 C GLY A 106 -33.240 43.186 13.199 1.00 0.00 C ATOM 1624 O GLY A 106 -34.118 43.470 12.386 1.00 0.00 O ATOM 0 H GLY A 106 -31.745 43.279 15.957 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -34.351 43.758 14.949 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -32.909 44.714 14.675 1.00 0.00 H new ATOM 1628 N ARG A 107 -32.190 42.430 12.899 1.00 0.00 N ATOM 1629 CA ARG A 107 -31.999 41.881 11.564 1.00 0.00 C ATOM 1630 C ARG A 107 -32.323 40.391 11.532 1.00 0.00 C ATOM 1631 O ARG A 107 -31.904 39.674 10.620 1.00 0.00 O ATOM 1632 CB ARG A 107 -30.605 42.162 11.023 1.00 0.00 C ATOM 1633 CG ARG A 107 -30.292 43.633 10.793 1.00 0.00 C ATOM 1634 CD ARG A 107 -28.944 43.891 10.227 1.00 0.00 C ATOM 1635 NE ARG A 107 -28.673 45.288 9.929 1.00 0.00 N ATOM 1636 CZ ARG A 107 -27.488 45.762 9.497 1.00 0.00 C ATOM 1637 NH1 ARG A 107 -26.453 44.966 9.348 1.00 0.00 N1+ ATOM 1638 NH2 ARG A 107 -27.386 47.057 9.251 1.00 0.00 N ATOM 0 H ARG A 107 -31.457 42.184 13.564 1.00 0.00 H new ATOM 0 HA ARG A 107 -32.700 42.389 10.902 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -29.872 41.754 11.719 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -30.482 41.628 10.081 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -31.041 44.051 10.121 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -30.383 44.164 11.741 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -28.193 43.530 10.930 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -28.830 43.309 9.313 1.00 0.00 H new ATOM 0 HE ARG A 107 -29.433 45.956 10.056 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -26.539 43.972 9.560 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -25.563 45.342 9.020 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -28.191 47.667 9.389 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -26.502 47.446 8.923 1.00 0.00 H new ATOM 1652 N SER A 108 -33.064 39.929 12.536 1.00 0.00 N ATOM 1653 CA SER A 108 -33.428 38.519 12.632 1.00 0.00 C ATOM 1654 C SER A 108 -34.102 38.033 11.356 1.00 0.00 C ATOM 1655 O SER A 108 -33.696 37.287 10.830 1.00 0.00 O ATOM 1656 CB SER A 108 -34.337 38.294 13.825 1.00 0.00 C ATOM 1657 OG SER A 108 -34.678 36.945 13.980 1.00 0.00 O ATOM 1658 OXT SER A 108 -35.121 38.547 10.982 1.00 0.00 O1- ATOM 0 H SER A 108 -33.423 40.510 13.293 1.00 0.00 H new ATOM 0 HA SER A 108 -32.513 37.943 12.767 1.00 0.00 H new ATOM 0 HB2 SER A 108 -33.842 38.649 14.729 1.00 0.00 H new ATOM 0 HB3 SER A 108 -35.245 38.886 13.705 1.00 0.00 H new ATOM 0 HG SER A 108 -33.939 36.468 14.412 1.00 0.00 H new TER 1664 SER A 108