USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 586 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 39 HIS : no HE2:sc= -4! C(o=-4.4!,f=-6.2!) USER MOD Set 1.2: A 43 ASN :FLIP amide:sc= -0.347 F(o=-6.2,f=-4.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 52:sc= 0.0576 USER MOD Single : A 6 MET CE :methyl 166:sc= -0.0299 (180deg=-0.313) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.345 USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 0.72 (180deg=0.599) USER MOD Single : A 13 TYR OH : rot 0:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -70:sc= 1.09 USER MOD Single : A 28 LYS NZ :NH3+ 171:sc= -0.0144 (180deg=-0.107) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0767) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 83:sc= 0.116 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0429 USER MOD Single : A 51 LYS NZ :NH3+ 169:sc=-0.00911 (180deg=-0.199) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -8:sc= 0.666 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -34:sc= -2.68! USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0175) USER MOD Single : A 71 TYR OH : rot 30:sc= 0.276 USER MOD Single : A 73 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.054 8.903 -7.812 1.00 0.00 N ATOM 2 CA GLY A 1 5.067 7.948 -8.343 1.00 0.00 C ATOM 3 C GLY A 1 5.688 6.619 -8.718 1.00 0.00 C ATOM 4 O GLY A 1 5.577 6.179 -9.860 1.00 0.00 O ATOM 0 H1 GLY A 1 5.578 9.796 -7.571 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.498 8.506 -6.959 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.784 9.083 -8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.288 7.784 -7.598 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.584 8.380 -9.220 1.00 0.00 H new ATOM 10 N GLU A 2 6.346 5.973 -7.765 1.00 0.00 N ATOM 11 CA GLU A 2 6.975 4.693 -8.033 1.00 0.00 C ATOM 12 C GLU A 2 5.986 3.558 -7.875 1.00 0.00 C ATOM 13 O GLU A 2 5.168 3.546 -6.944 1.00 0.00 O ATOM 14 CB GLU A 2 8.184 4.459 -7.134 1.00 0.00 C ATOM 15 CG GLU A 2 9.291 5.476 -7.317 1.00 0.00 C ATOM 16 CD GLU A 2 10.528 5.123 -6.531 1.00 0.00 C ATOM 17 OE1 GLU A 2 10.529 5.294 -5.295 1.00 0.00 O ATOM 18 OE2 GLU A 2 11.513 4.669 -7.149 1.00 0.00 O ATOM 0 H GLU A 2 6.456 6.312 -6.809 1.00 0.00 H new ATOM 0 HA GLU A 2 7.321 4.718 -9.066 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.859 4.474 -6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.583 3.464 -7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.544 5.548 -8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.934 6.458 -7.007 1.00 0.00 H new ATOM 25 N PHE A 3 6.054 2.616 -8.786 1.00 0.00 N ATOM 26 CA PHE A 3 5.181 1.464 -8.774 1.00 0.00 C ATOM 27 C PHE A 3 5.852 0.305 -9.482 1.00 0.00 C ATOM 28 O PHE A 3 6.789 0.503 -10.258 1.00 0.00 O ATOM 29 CB PHE A 3 3.842 1.794 -9.463 1.00 0.00 C ATOM 30 CG PHE A 3 3.971 2.145 -10.929 1.00 0.00 C ATOM 31 CD1 PHE A 3 3.852 1.165 -11.907 1.00 0.00 C ATOM 32 CD2 PHE A 3 4.218 3.450 -11.324 1.00 0.00 C ATOM 33 CE1 PHE A 3 3.976 1.483 -13.245 1.00 0.00 C ATOM 34 CE2 PHE A 3 4.342 3.772 -12.662 1.00 0.00 C ATOM 35 CZ PHE A 3 4.221 2.788 -13.623 1.00 0.00 C ATOM 0 H PHE A 3 6.719 2.626 -9.560 1.00 0.00 H new ATOM 0 HA PHE A 3 4.981 1.188 -7.739 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.174 0.939 -9.363 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.373 2.628 -8.941 1.00 0.00 H new ATOM 0 HD1 PHE A 3 3.660 0.142 -11.617 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.315 4.224 -10.577 1.00 0.00 H new ATOM 0 HE1 PHE A 3 3.881 0.712 -13.995 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.534 4.793 -12.956 1.00 0.00 H new ATOM 0 HZ PHE A 3 4.318 3.039 -14.669 1.00 0.00 H new ATOM 45 N GLY A 4 5.387 -0.886 -9.215 1.00 0.00 N ATOM 46 CA GLY A 4 5.902 -2.033 -9.908 1.00 0.00 C ATOM 47 C GLY A 4 4.914 -2.509 -10.937 1.00 0.00 C ATOM 48 O GLY A 4 3.721 -2.588 -10.649 1.00 0.00 O ATOM 0 H GLY A 4 4.659 -1.085 -8.529 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.846 -1.781 -10.390 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.110 -2.833 -9.197 1.00 0.00 H new ATOM 52 N SER A 5 5.387 -2.803 -12.137 1.00 0.00 N ATOM 53 CA SER A 5 4.515 -3.274 -13.199 1.00 0.00 C ATOM 54 C SER A 5 4.040 -4.694 -12.906 1.00 0.00 C ATOM 55 O SER A 5 4.680 -5.677 -13.291 1.00 0.00 O ATOM 56 CB SER A 5 5.237 -3.195 -14.544 1.00 0.00 C ATOM 57 OG SER A 5 6.573 -3.674 -14.430 1.00 0.00 O ATOM 0 H SER A 5 6.369 -2.724 -12.399 1.00 0.00 H new ATOM 0 HA SER A 5 3.635 -2.633 -13.249 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.697 -3.783 -15.287 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.245 -2.164 -14.898 1.00 0.00 H new ATOM 0 HG SER A 5 6.568 -4.562 -14.015 1.00 0.00 H new ATOM 63 N MET A 6 2.933 -4.788 -12.196 1.00 0.00 N ATOM 64 CA MET A 6 2.386 -6.059 -11.773 1.00 0.00 C ATOM 65 C MET A 6 0.946 -5.880 -11.346 1.00 0.00 C ATOM 66 O MET A 6 0.443 -4.757 -11.275 1.00 0.00 O ATOM 67 CB MET A 6 3.189 -6.614 -10.584 1.00 0.00 C ATOM 68 CG MET A 6 3.107 -5.736 -9.332 1.00 0.00 C ATOM 69 SD MET A 6 4.017 -6.406 -7.923 1.00 0.00 S ATOM 70 CE MET A 6 5.703 -6.286 -8.518 1.00 0.00 C ATOM 0 H MET A 6 2.387 -3.981 -11.896 1.00 0.00 H new ATOM 0 HA MET A 6 2.443 -6.756 -12.609 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.824 -7.612 -10.343 1.00 0.00 H new ATOM 0 HB3 MET A 6 4.233 -6.719 -10.878 1.00 0.00 H new ATOM 0 HG2 MET A 6 3.495 -4.745 -9.567 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.061 -5.611 -9.053 1.00 0.00 H new ATOM 0 HE1 MET A 6 6.393 -6.423 -7.686 1.00 0.00 H new ATOM 0 HE2 MET A 6 5.880 -7.058 -9.267 1.00 0.00 H new ATOM 0 HE3 MET A 6 5.863 -5.304 -8.964 1.00 0.00 H new ATOM 80 N VAL A 7 0.295 -6.978 -11.055 1.00 0.00 N ATOM 81 CA VAL A 7 -1.044 -6.926 -10.530 1.00 0.00 C ATOM 82 C VAL A 7 -0.939 -6.628 -9.048 1.00 0.00 C ATOM 83 O VAL A 7 -0.299 -7.377 -8.307 1.00 0.00 O ATOM 84 CB VAL A 7 -1.802 -8.266 -10.737 1.00 0.00 C ATOM 85 CG1 VAL A 7 -3.183 -8.210 -10.096 1.00 0.00 C ATOM 86 CG2 VAL A 7 -1.920 -8.592 -12.218 1.00 0.00 C ATOM 0 H VAL A 7 0.671 -7.919 -11.173 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.606 -6.155 -11.057 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.229 -9.057 -10.253 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.696 -9.159 -10.253 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.081 -8.026 -9.027 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.762 -7.405 -10.549 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.454 -9.534 -12.342 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.467 -7.796 -12.723 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.924 -8.680 -12.652 1.00 0.00 H new ATOM 96 N LYS A 8 -1.517 -5.520 -8.612 1.00 0.00 N ATOM 97 CA LYS A 8 -1.423 -5.157 -7.215 1.00 0.00 C ATOM 98 C LYS A 8 -2.264 -6.087 -6.368 1.00 0.00 C ATOM 99 O LYS A 8 -3.490 -5.979 -6.317 1.00 0.00 O ATOM 100 CB LYS A 8 -1.804 -3.689 -6.993 1.00 0.00 C ATOM 101 CG LYS A 8 -0.800 -2.709 -7.598 1.00 0.00 C ATOM 102 CD LYS A 8 -1.113 -1.263 -7.233 1.00 0.00 C ATOM 103 CE LYS A 8 -2.396 -0.778 -7.885 1.00 0.00 C ATOM 104 NZ LYS A 8 -2.662 0.653 -7.579 1.00 0.00 N ATOM 0 H LYS A 8 -2.045 -4.871 -9.195 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.384 -5.267 -6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.787 -3.506 -7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.887 -3.500 -5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.203 -2.960 -7.253 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.799 -2.816 -8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.200 -1.173 -6.150 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.285 -0.624 -7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.329 -0.913 -8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.232 -1.386 -7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.546 0.948 -8.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.751 0.777 -6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.876 1.235 -7.932 1.00 0.00 H new ATOM 118 N GLU A 9 -1.580 -6.991 -5.701 1.00 0.00 N ATOM 119 CA GLU A 9 -2.196 -8.010 -4.891 1.00 0.00 C ATOM 120 C GLU A 9 -1.450 -8.122 -3.568 1.00 0.00 C ATOM 121 O GLU A 9 -0.219 -8.004 -3.539 1.00 0.00 O ATOM 122 CB GLU A 9 -2.108 -9.335 -5.643 1.00 0.00 C ATOM 123 CG GLU A 9 -2.722 -10.518 -4.933 1.00 0.00 C ATOM 124 CD GLU A 9 -2.499 -11.801 -5.692 1.00 0.00 C ATOM 125 OE1 GLU A 9 -1.871 -12.725 -5.134 1.00 0.00 O ATOM 126 OE2 GLU A 9 -2.924 -11.887 -6.860 1.00 0.00 O ATOM 0 H GLU A 9 -0.561 -7.036 -5.709 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.238 -7.760 -4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.596 -9.219 -6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.059 -9.554 -5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.293 -10.606 -3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.792 -10.351 -4.806 1.00 0.00 H new ATOM 133 N THR A 10 -2.196 -8.296 -2.473 1.00 0.00 N ATOM 134 CA THR A 10 -1.619 -8.461 -1.148 1.00 0.00 C ATOM 135 C THR A 10 -0.915 -7.171 -0.672 1.00 0.00 C ATOM 136 O THR A 10 -0.292 -7.131 0.387 1.00 0.00 O ATOM 137 CB THR A 10 -0.637 -9.648 -1.133 1.00 0.00 C ATOM 138 OG1 THR A 10 -1.226 -10.767 -1.819 1.00 0.00 O ATOM 139 CG2 THR A 10 -0.335 -10.055 0.278 1.00 0.00 C ATOM 0 H THR A 10 -3.215 -8.325 -2.487 1.00 0.00 H new ATOM 0 HA THR A 10 -2.434 -8.669 -0.454 1.00 0.00 H new ATOM 0 HB THR A 10 0.285 -9.344 -1.629 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.601 -11.522 -1.811 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.360 -10.895 0.274 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.113 -9.216 0.811 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.258 -10.351 0.777 1.00 0.00 H new ATOM 147 N LYS A 11 -1.085 -6.116 -1.445 1.00 0.00 N ATOM 148 CA LYS A 11 -0.448 -4.838 -1.171 1.00 0.00 C ATOM 149 C LYS A 11 -0.887 -4.296 0.155 1.00 0.00 C ATOM 150 O LYS A 11 -0.088 -3.783 0.911 1.00 0.00 O ATOM 151 CB LYS A 11 -0.798 -3.841 -2.246 1.00 0.00 C ATOM 152 CG LYS A 11 -0.291 -4.225 -3.607 1.00 0.00 C ATOM 153 CD LYS A 11 1.229 -4.285 -3.644 1.00 0.00 C ATOM 154 CE LYS A 11 1.746 -4.676 -5.022 1.00 0.00 C ATOM 155 NZ LYS A 11 3.227 -4.790 -5.043 1.00 0.00 N ATOM 0 H LYS A 11 -1.668 -6.118 -2.282 1.00 0.00 H new ATOM 0 HA LYS A 11 0.630 -4.999 -1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.881 -3.730 -2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.388 -2.868 -1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.701 -5.195 -3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.645 -3.504 -4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.638 -3.314 -3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.582 -5.005 -2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.304 -5.627 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.428 -3.933 -5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.525 -5.280 -5.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.649 -3.840 -5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.545 -5.331 -4.214 1.00 0.00 H new ATOM 169 N PHE A 12 -2.144 -4.451 0.443 1.00 0.00 N ATOM 170 CA PHE A 12 -2.688 -3.948 1.686 1.00 0.00 C ATOM 171 C PHE A 12 -2.177 -4.733 2.894 1.00 0.00 C ATOM 172 O PHE A 12 -1.943 -4.154 3.958 1.00 0.00 O ATOM 173 CB PHE A 12 -4.208 -3.878 1.652 1.00 0.00 C ATOM 174 CG PHE A 12 -4.717 -2.691 0.880 1.00 0.00 C ATOM 175 CD1 PHE A 12 -5.590 -2.842 -0.181 1.00 0.00 C ATOM 176 CD2 PHE A 12 -4.310 -1.416 1.226 1.00 0.00 C ATOM 177 CE1 PHE A 12 -6.053 -1.736 -0.873 1.00 0.00 C ATOM 178 CE2 PHE A 12 -4.761 -0.315 0.542 1.00 0.00 C ATOM 179 CZ PHE A 12 -5.633 -0.469 -0.504 1.00 0.00 C ATOM 0 H PHE A 12 -2.819 -4.921 -0.160 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.326 -2.926 1.800 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.600 -4.792 1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.589 -3.833 2.672 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.913 -3.830 -0.472 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.624 -1.284 2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.739 -1.861 -1.698 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.429 0.672 0.828 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.992 0.397 -1.040 1.00 0.00 H new ATOM 189 N TYR A 13 -1.979 -6.046 2.727 1.00 0.00 N ATOM 190 CA TYR A 13 -1.432 -6.848 3.812 1.00 0.00 C ATOM 191 C TYR A 13 0.028 -6.473 4.013 1.00 0.00 C ATOM 192 O TYR A 13 0.489 -6.288 5.133 1.00 0.00 O ATOM 193 CB TYR A 13 -1.544 -8.350 3.517 1.00 0.00 C ATOM 194 CG TYR A 13 -2.962 -8.877 3.433 1.00 0.00 C ATOM 195 CD1 TYR A 13 -3.549 -9.144 2.209 1.00 0.00 C ATOM 196 CD2 TYR A 13 -3.705 -9.114 4.580 1.00 0.00 C ATOM 197 CE1 TYR A 13 -4.838 -9.632 2.128 1.00 0.00 C ATOM 198 CE2 TYR A 13 -4.992 -9.601 4.508 1.00 0.00 C ATOM 199 CZ TYR A 13 -5.553 -9.858 3.279 1.00 0.00 C ATOM 200 OH TYR A 13 -6.836 -10.340 3.203 1.00 0.00 O ATOM 0 H TYR A 13 -2.185 -6.560 1.871 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.006 -6.645 4.716 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.037 -8.560 2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.013 -8.899 4.294 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.990 -8.968 1.302 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.267 -8.913 5.547 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.282 -9.835 1.165 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.557 -9.780 5.411 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.083 -10.465 2.263 1.00 0.00 H new ATOM 210 N ASP A 14 0.738 -6.337 2.895 1.00 0.00 N ATOM 211 CA ASP A 14 2.151 -5.928 2.893 1.00 0.00 C ATOM 212 C ASP A 14 2.353 -4.565 3.515 1.00 0.00 C ATOM 213 O ASP A 14 3.291 -4.360 4.285 1.00 0.00 O ATOM 214 CB ASP A 14 2.693 -5.892 1.464 1.00 0.00 C ATOM 215 CG ASP A 14 2.892 -7.263 0.859 1.00 0.00 C ATOM 216 OD1 ASP A 14 3.178 -8.220 1.615 1.00 0.00 O ATOM 217 OD2 ASP A 14 2.770 -7.397 -0.378 1.00 0.00 O ATOM 0 H ASP A 14 0.356 -6.506 1.964 1.00 0.00 H new ATOM 0 HA ASP A 14 2.690 -6.666 3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.006 -5.324 0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.644 -5.360 1.458 1.00 0.00 H new ATOM 222 N ILE A 15 1.490 -3.639 3.174 1.00 0.00 N ATOM 223 CA ILE A 15 1.569 -2.290 3.696 1.00 0.00 C ATOM 224 C ILE A 15 1.398 -2.258 5.222 1.00 0.00 C ATOM 225 O ILE A 15 2.193 -1.632 5.924 1.00 0.00 O ATOM 226 CB ILE A 15 0.553 -1.367 2.988 1.00 0.00 C ATOM 227 CG1 ILE A 15 1.000 -1.112 1.540 1.00 0.00 C ATOM 228 CG2 ILE A 15 0.360 -0.054 3.743 1.00 0.00 C ATOM 229 CD1 ILE A 15 -0.044 -0.422 0.686 1.00 0.00 C ATOM 0 H ILE A 15 0.715 -3.795 2.530 1.00 0.00 H new ATOM 0 HA ILE A 15 2.569 -1.910 3.484 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.414 -1.870 2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.905 -0.504 1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.261 -2.064 1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.362 0.568 3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.009 -0.263 4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.313 0.472 3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.347 -0.278 -0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.942 -1.038 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.289 0.546 1.122 1.00 0.00 H new ATOM 241 N LEU A 16 0.374 -2.932 5.731 1.00 0.00 N ATOM 242 CA LEU A 16 0.189 -3.022 7.181 1.00 0.00 C ATOM 243 C LEU A 16 1.261 -3.892 7.852 1.00 0.00 C ATOM 244 O LEU A 16 1.600 -3.680 9.017 1.00 0.00 O ATOM 245 CB LEU A 16 -1.211 -3.525 7.554 1.00 0.00 C ATOM 246 CG LEU A 16 -2.384 -2.591 7.235 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.693 -3.230 7.660 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.202 -1.243 7.922 1.00 0.00 C ATOM 0 H LEU A 16 -0.331 -3.417 5.177 1.00 0.00 H new ATOM 0 HA LEU A 16 0.297 -2.005 7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.380 -4.472 7.041 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.224 -3.735 8.624 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.409 -2.424 6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.519 -2.557 7.428 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.830 -4.170 7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.672 -3.423 8.733 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.045 -0.596 7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.151 -1.388 9.001 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.279 -0.779 7.575 1.00 0.00 H new ATOM 260 N GLY A 17 1.803 -4.849 7.116 1.00 0.00 N ATOM 261 CA GLY A 17 2.801 -5.739 7.686 1.00 0.00 C ATOM 262 C GLY A 17 2.168 -6.994 8.248 1.00 0.00 C ATOM 263 O GLY A 17 2.791 -7.743 8.996 1.00 0.00 O ATOM 0 H GLY A 17 1.574 -5.028 6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.529 -6.009 6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.345 -5.220 8.475 1.00 0.00 H new ATOM 267 N VAL A 18 0.929 -7.205 7.887 1.00 0.00 N ATOM 268 CA VAL A 18 0.174 -8.356 8.344 1.00 0.00 C ATOM 269 C VAL A 18 0.208 -9.465 7.304 1.00 0.00 C ATOM 270 O VAL A 18 0.407 -9.201 6.114 1.00 0.00 O ATOM 271 CB VAL A 18 -1.299 -7.990 8.643 1.00 0.00 C ATOM 272 CG1 VAL A 18 -1.381 -7.050 9.816 1.00 0.00 C ATOM 273 CG2 VAL A 18 -1.963 -7.374 7.422 1.00 0.00 C ATOM 0 H VAL A 18 0.408 -6.585 7.266 1.00 0.00 H new ATOM 0 HA VAL A 18 0.642 -8.700 9.266 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.832 -8.907 8.894 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.424 -6.803 10.012 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.949 -7.527 10.696 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.829 -6.138 9.591 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.998 -7.125 7.657 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.428 -6.469 7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.940 -8.086 6.597 1.00 0.00 H new ATOM 283 N PRO A 19 0.036 -10.723 7.729 1.00 0.00 N ATOM 284 CA PRO A 19 -0.028 -11.850 6.806 1.00 0.00 C ATOM 285 C PRO A 19 -1.313 -11.790 6.008 1.00 0.00 C ATOM 286 O PRO A 19 -2.246 -11.096 6.391 1.00 0.00 O ATOM 287 CB PRO A 19 -0.054 -13.071 7.732 1.00 0.00 C ATOM 288 CG PRO A 19 -0.633 -12.557 8.999 1.00 0.00 C ATOM 289 CD PRO A 19 -0.112 -11.153 9.138 1.00 0.00 C ATOM 0 HA PRO A 19 0.797 -11.866 6.094 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.661 -13.874 7.314 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.947 -13.475 7.887 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.722 -12.570 8.966 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.332 -13.173 9.846 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.806 -10.515 9.686 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.837 -11.124 9.673 1.00 0.00 H new ATOM 297 N VAL A 20 -1.376 -12.498 4.909 1.00 0.00 N ATOM 298 CA VAL A 20 -2.587 -12.525 4.117 1.00 0.00 C ATOM 299 C VAL A 20 -3.690 -13.191 4.950 1.00 0.00 C ATOM 300 O VAL A 20 -4.874 -12.901 4.808 1.00 0.00 O ATOM 301 CB VAL A 20 -2.386 -13.325 2.818 1.00 0.00 C ATOM 302 CG1 VAL A 20 -3.636 -13.288 1.957 1.00 0.00 C ATOM 303 CG2 VAL A 20 -1.186 -12.810 2.058 1.00 0.00 C ATOM 0 H VAL A 20 -0.610 -13.062 4.541 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.858 -11.504 3.848 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.198 -14.365 3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.467 -13.861 1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.471 -13.721 2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.869 -12.255 1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.060 -13.388 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.338 -11.760 1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.294 -12.910 2.676 1.00 0.00 H new ATOM 313 N THR A 21 -3.255 -14.083 5.827 1.00 0.00 N ATOM 314 CA THR A 21 -4.130 -14.832 6.712 1.00 0.00 C ATOM 315 C THR A 21 -4.349 -14.060 8.036 1.00 0.00 C ATOM 316 O THR A 21 -4.771 -14.634 9.046 1.00 0.00 O ATOM 317 CB THR A 21 -3.486 -16.197 7.025 1.00 0.00 C ATOM 318 OG1 THR A 21 -2.866 -16.705 5.834 1.00 0.00 O ATOM 319 CG2 THR A 21 -4.528 -17.201 7.507 1.00 0.00 C ATOM 0 H THR A 21 -2.267 -14.309 5.945 1.00 0.00 H new ATOM 0 HA THR A 21 -5.092 -14.973 6.220 1.00 0.00 H new ATOM 0 HB THR A 21 -2.748 -16.057 7.815 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.452 -17.573 6.025 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.044 -18.154 7.720 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.003 -16.825 8.413 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.283 -17.342 6.733 1.00 0.00 H new ATOM 327 N ALA A 22 -4.081 -12.758 8.006 1.00 0.00 N ATOM 328 CA ALA A 22 -4.168 -11.907 9.193 1.00 0.00 C ATOM 329 C ALA A 22 -5.554 -11.863 9.797 1.00 0.00 C ATOM 330 O ALA A 22 -6.567 -11.949 9.098 1.00 0.00 O ATOM 331 CB ALA A 22 -3.720 -10.499 8.873 1.00 0.00 C ATOM 0 H ALA A 22 -3.798 -12.262 7.161 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.504 -12.356 9.932 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.792 -9.882 9.769 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.687 -10.516 8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.358 -10.083 8.093 1.00 0.00 H new ATOM 337 N THR A 23 -5.578 -11.719 11.099 1.00 0.00 N ATOM 338 CA THR A 23 -6.798 -11.595 11.855 1.00 0.00 C ATOM 339 C THR A 23 -7.066 -10.120 12.135 1.00 0.00 C ATOM 340 O THR A 23 -6.179 -9.283 11.939 1.00 0.00 O ATOM 341 CB THR A 23 -6.695 -12.363 13.189 1.00 0.00 C ATOM 342 OG1 THR A 23 -5.551 -11.902 13.927 1.00 0.00 O ATOM 343 CG2 THR A 23 -6.572 -13.858 12.944 1.00 0.00 C ATOM 0 H THR A 23 -4.735 -11.684 11.672 1.00 0.00 H new ATOM 0 HA THR A 23 -7.617 -12.020 11.274 1.00 0.00 H new ATOM 0 HB THR A 23 -7.603 -12.178 13.763 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.731 -12.202 13.481 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.501 -14.379 13.899 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.450 -14.211 12.403 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.677 -14.058 12.354 1.00 0.00 H new ATOM 351 N ASP A 24 -8.264 -9.802 12.621 1.00 0.00 N ATOM 352 CA ASP A 24 -8.637 -8.418 12.911 1.00 0.00 C ATOM 353 C ASP A 24 -7.664 -7.794 13.888 1.00 0.00 C ATOM 354 O ASP A 24 -7.277 -6.652 13.729 1.00 0.00 O ATOM 355 CB ASP A 24 -10.035 -8.349 13.527 1.00 0.00 C ATOM 356 CG ASP A 24 -11.135 -8.760 12.591 1.00 0.00 C ATOM 357 OD1 ASP A 24 -11.447 -7.995 11.669 1.00 0.00 O ATOM 358 OD2 ASP A 24 -11.709 -9.850 12.790 1.00 0.00 O ATOM 0 H ASP A 24 -8.994 -10.485 12.823 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.619 -7.875 11.966 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.064 -8.989 14.409 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.222 -7.330 13.866 1.00 0.00 H new ATOM 363 N VAL A 25 -7.244 -8.565 14.879 1.00 0.00 N ATOM 364 CA VAL A 25 -6.347 -8.071 15.915 1.00 0.00 C ATOM 365 C VAL A 25 -5.002 -7.647 15.319 1.00 0.00 C ATOM 366 O VAL A 25 -4.482 -6.574 15.632 1.00 0.00 O ATOM 367 CB VAL A 25 -6.121 -9.145 17.000 1.00 0.00 C ATOM 368 CG1 VAL A 25 -5.055 -8.707 17.995 1.00 0.00 C ATOM 369 CG2 VAL A 25 -7.426 -9.462 17.713 1.00 0.00 C ATOM 0 H VAL A 25 -7.512 -9.543 14.989 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.817 -7.200 16.372 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.765 -10.051 16.510 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.918 -9.484 18.747 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.114 -8.540 17.470 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.368 -7.783 18.481 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.249 -10.221 18.475 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.812 -8.558 18.184 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.154 -9.834 16.992 1.00 0.00 H new ATOM 379 N GLU A 26 -4.468 -8.484 14.432 1.00 0.00 N ATOM 380 CA GLU A 26 -3.193 -8.210 13.770 1.00 0.00 C ATOM 381 C GLU A 26 -3.336 -6.983 12.900 1.00 0.00 C ATOM 382 O GLU A 26 -2.449 -6.137 12.830 1.00 0.00 O ATOM 383 CB GLU A 26 -2.791 -9.412 12.926 1.00 0.00 C ATOM 384 CG GLU A 26 -2.442 -10.631 13.752 1.00 0.00 C ATOM 385 CD GLU A 26 -2.264 -11.859 12.907 1.00 0.00 C ATOM 386 OE1 GLU A 26 -3.286 -12.404 12.440 1.00 0.00 O ATOM 387 OE2 GLU A 26 -1.113 -12.291 12.710 1.00 0.00 O ATOM 0 H GLU A 26 -4.902 -9.364 14.153 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.419 -8.029 14.516 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.608 -9.662 12.249 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.935 -9.143 12.307 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.525 -10.440 14.309 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.229 -10.808 14.485 1.00 0.00 H new ATOM 394 N ILE A 27 -4.476 -6.900 12.260 1.00 0.00 N ATOM 395 CA ILE A 27 -4.823 -5.797 11.403 1.00 0.00 C ATOM 396 C ILE A 27 -4.905 -4.479 12.190 1.00 0.00 C ATOM 397 O ILE A 27 -4.387 -3.451 11.751 1.00 0.00 O ATOM 398 CB ILE A 27 -6.159 -6.099 10.679 1.00 0.00 C ATOM 399 CG1 ILE A 27 -5.940 -7.228 9.662 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.710 -4.849 9.998 1.00 0.00 C ATOM 401 CD1 ILE A 27 -7.216 -7.808 9.099 1.00 0.00 C ATOM 0 H ILE A 27 -5.203 -7.613 12.323 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.037 -5.676 10.657 1.00 0.00 H new ATOM 0 HB ILE A 27 -6.897 -6.418 11.414 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.332 -6.849 8.840 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.370 -8.026 10.138 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.648 -5.091 9.498 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.886 -4.075 10.745 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.990 -4.487 9.264 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.974 -8.599 8.389 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -7.817 -8.220 9.910 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.779 -7.025 8.591 1.00 0.00 H new ATOM 413 N LYS A 28 -5.540 -4.524 13.359 1.00 0.00 N ATOM 414 CA LYS A 28 -5.705 -3.333 14.190 1.00 0.00 C ATOM 415 C LYS A 28 -4.347 -2.837 14.690 1.00 0.00 C ATOM 416 O LYS A 28 -4.063 -1.640 14.666 1.00 0.00 O ATOM 417 CB LYS A 28 -6.597 -3.644 15.410 1.00 0.00 C ATOM 418 CG LYS A 28 -7.995 -4.150 15.073 1.00 0.00 C ATOM 419 CD LYS A 28 -8.784 -3.157 14.252 1.00 0.00 C ATOM 420 CE LYS A 28 -10.143 -3.722 13.862 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.007 -4.000 15.034 1.00 0.00 N ATOM 0 H LYS A 28 -5.949 -5.372 13.752 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.175 -2.563 13.579 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.096 -4.390 16.027 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.689 -2.741 16.013 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.916 -5.089 14.525 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.534 -4.364 15.996 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.919 -2.237 14.821 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.224 -2.897 13.354 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.649 -3.017 13.202 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.000 -4.642 13.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.966 -4.236 14.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.616 -4.800 15.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.045 -3.159 15.644 1.00 0.00 H new ATOM 435 N LYS A 29 -3.508 -3.770 15.129 1.00 0.00 N ATOM 436 CA LYS A 29 -2.199 -3.419 15.657 1.00 0.00 C ATOM 437 C LYS A 29 -1.249 -2.955 14.558 1.00 0.00 C ATOM 438 O LYS A 29 -0.429 -2.065 14.772 1.00 0.00 O ATOM 439 CB LYS A 29 -1.605 -4.562 16.498 1.00 0.00 C ATOM 440 CG LYS A 29 -1.418 -5.868 15.748 1.00 0.00 C ATOM 441 CD LYS A 29 -0.953 -6.993 16.673 1.00 0.00 C ATOM 442 CE LYS A 29 0.386 -6.683 17.335 1.00 0.00 C ATOM 443 NZ LYS A 29 1.479 -6.527 16.343 1.00 0.00 N ATOM 0 H LYS A 29 -3.712 -4.769 15.129 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.335 -2.570 16.327 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.640 -4.243 16.891 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.255 -4.740 17.355 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.357 -6.152 15.274 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.688 -5.728 14.951 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.706 -7.162 17.443 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.868 -7.918 16.102 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.296 -5.768 17.921 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.640 -7.483 18.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.388 -6.436 16.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.506 -7.361 15.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.310 -5.675 15.771 1.00 0.00 H new ATOM 457 N ALA A 30 -1.347 -3.560 13.396 1.00 0.00 N ATOM 458 CA ALA A 30 -0.577 -3.128 12.257 1.00 0.00 C ATOM 459 C ALA A 30 -0.980 -1.733 11.864 1.00 0.00 C ATOM 460 O ALA A 30 -0.139 -0.904 11.530 1.00 0.00 O ATOM 461 CB ALA A 30 -0.762 -4.073 11.101 1.00 0.00 C ATOM 0 H ALA A 30 -1.957 -4.358 13.217 1.00 0.00 H new ATOM 0 HA ALA A 30 0.478 -3.127 12.530 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.172 -3.729 10.252 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.433 -5.071 11.391 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.815 -4.105 10.822 1.00 0.00 H new ATOM 467 N TYR A 31 -2.278 -1.475 11.898 1.00 0.00 N ATOM 468 CA TYR A 31 -2.792 -0.162 11.612 1.00 0.00 C ATOM 469 C TYR A 31 -2.288 0.835 12.631 1.00 0.00 C ATOM 470 O TYR A 31 -1.786 1.896 12.272 1.00 0.00 O ATOM 471 CB TYR A 31 -4.320 -0.164 11.578 1.00 0.00 C ATOM 472 CG TYR A 31 -4.921 1.223 11.461 1.00 0.00 C ATOM 473 CD1 TYR A 31 -4.861 1.933 10.268 1.00 0.00 C ATOM 474 CD2 TYR A 31 -5.550 1.820 12.547 1.00 0.00 C ATOM 475 CE1 TYR A 31 -5.409 3.196 10.163 1.00 0.00 C ATOM 476 CE2 TYR A 31 -6.100 3.082 12.448 1.00 0.00 C ATOM 477 CZ TYR A 31 -6.026 3.766 11.255 1.00 0.00 C ATOM 478 OH TYR A 31 -6.577 5.024 11.153 1.00 0.00 O ATOM 0 H TYR A 31 -2.992 -2.168 12.123 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.433 0.133 10.626 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.657 -0.770 10.737 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.696 -0.640 12.484 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.378 1.490 9.409 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.609 1.287 13.485 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.354 3.735 9.229 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.586 3.531 13.302 1.00 0.00 H new ATOM 0 HH TYR A 31 -6.974 5.278 12.012 1.00 0.00 H new ATOM 488 N ARG A 32 -2.413 0.482 13.912 1.00 0.00 N ATOM 489 CA ARG A 32 -1.988 1.376 14.969 1.00 0.00 C ATOM 490 C ARG A 32 -0.494 1.638 14.896 1.00 0.00 C ATOM 491 O ARG A 32 -0.061 2.750 15.132 1.00 0.00 O ATOM 492 CB ARG A 32 -2.415 0.868 16.373 1.00 0.00 C ATOM 493 CG ARG A 32 -1.666 -0.356 16.883 1.00 0.00 C ATOM 494 CD ARG A 32 -0.444 0.015 17.715 1.00 0.00 C ATOM 495 NE ARG A 32 -0.817 0.596 19.002 1.00 0.00 N ATOM 496 CZ ARG A 32 0.051 1.000 19.930 1.00 0.00 C ATOM 497 NH1 ARG A 32 1.361 0.930 19.709 1.00 0.00 N ATOM 498 NH2 ARG A 32 -0.396 1.489 21.074 1.00 0.00 N ATOM 0 H ARG A 32 -2.801 -0.406 14.231 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.499 2.326 14.814 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.282 1.679 17.089 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.480 0.636 16.348 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.340 -0.966 17.484 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.354 -0.966 16.036 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.166 -0.873 17.881 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.171 0.724 17.161 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.811 0.700 19.205 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.710 0.565 18.823 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.016 1.242 20.426 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.400 1.556 21.243 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.263 1.800 21.788 1.00 0.00 H new ATOM 512 N LYS A 33 0.301 0.623 14.534 1.00 0.00 N ATOM 513 CA LYS A 33 1.733 0.850 14.425 1.00 0.00 C ATOM 514 C LYS A 33 2.020 1.703 13.214 1.00 0.00 C ATOM 515 O LYS A 33 2.732 2.670 13.310 1.00 0.00 O ATOM 516 CB LYS A 33 2.563 -0.463 14.382 1.00 0.00 C ATOM 517 CG LYS A 33 2.516 -1.216 13.065 1.00 0.00 C ATOM 518 CD LYS A 33 3.354 -2.484 13.111 1.00 0.00 C ATOM 519 CE LYS A 33 3.331 -3.221 11.775 1.00 0.00 C ATOM 520 NZ LYS A 33 4.159 -4.456 11.805 1.00 0.00 N ATOM 0 H LYS A 33 -0.013 -0.324 14.321 1.00 0.00 H new ATOM 0 HA LYS A 33 2.045 1.372 15.330 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.602 -0.224 14.608 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.208 -1.124 15.173 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.483 -1.471 12.828 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.876 -0.571 12.264 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.382 -2.232 13.371 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.979 -3.141 13.896 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.303 -3.480 11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.696 -2.559 10.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.116 -4.926 10.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.145 -4.207 12.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.796 -5.100 12.537 1.00 0.00 H new ATOM 534 N CYS A 34 1.404 1.383 12.088 1.00 0.00 N ATOM 535 CA CYS A 34 1.660 2.142 10.869 1.00 0.00 C ATOM 536 C CYS A 34 1.246 3.604 11.027 1.00 0.00 C ATOM 537 O CYS A 34 1.989 4.514 10.645 1.00 0.00 O ATOM 538 CB CYS A 34 0.947 1.506 9.679 1.00 0.00 C ATOM 539 SG CYS A 34 1.640 -0.088 9.178 1.00 0.00 S ATOM 0 H CYS A 34 0.736 0.619 11.989 1.00 0.00 H new ATOM 0 HA CYS A 34 2.734 2.119 10.682 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.106 1.372 9.928 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.990 2.192 8.833 1.00 0.00 H new ATOM 0 HG CYS A 34 1.144 -1.030 9.924 1.00 0.00 H new ATOM 545 N ALA A 35 0.074 3.827 11.604 1.00 0.00 N ATOM 546 CA ALA A 35 -0.413 5.175 11.825 1.00 0.00 C ATOM 547 C ALA A 35 0.441 5.918 12.853 1.00 0.00 C ATOM 548 O ALA A 35 0.878 7.013 12.609 1.00 0.00 O ATOM 549 CB ALA A 35 -1.866 5.143 12.272 1.00 0.00 C ATOM 0 H ALA A 35 -0.554 3.091 11.926 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.342 5.714 10.880 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.219 6.161 12.434 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.473 4.667 11.502 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.949 4.578 13.200 1.00 0.00 H new ATOM 555 N LEU A 36 0.692 5.288 13.993 1.00 0.00 N ATOM 556 CA LEU A 36 1.476 5.923 15.050 1.00 0.00 C ATOM 557 C LEU A 36 2.908 6.185 14.616 1.00 0.00 C ATOM 558 O LEU A 36 3.492 7.206 14.959 1.00 0.00 O ATOM 559 CB LEU A 36 1.442 5.109 16.340 1.00 0.00 C ATOM 560 CG LEU A 36 0.094 5.072 17.068 1.00 0.00 C ATOM 561 CD1 LEU A 36 0.150 4.117 18.246 1.00 0.00 C ATOM 562 CD2 LEU A 36 -0.306 6.468 17.530 1.00 0.00 C ATOM 0 H LEU A 36 0.368 4.346 14.211 1.00 0.00 H new ATOM 0 HA LEU A 36 1.010 6.888 15.248 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.738 4.085 16.110 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.191 5.512 17.022 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.662 4.713 16.370 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.816 4.104 18.750 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.387 3.114 17.890 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.920 4.446 18.944 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.266 6.420 18.044 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.451 6.857 18.210 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.390 7.127 16.666 1.00 0.00 H new ATOM 574 N LYS A 37 3.474 5.256 13.889 1.00 0.00 N ATOM 575 CA LYS A 37 4.831 5.395 13.401 1.00 0.00 C ATOM 576 C LYS A 37 4.976 6.536 12.375 1.00 0.00 C ATOM 577 O LYS A 37 5.968 7.252 12.394 1.00 0.00 O ATOM 578 CB LYS A 37 5.311 4.071 12.784 1.00 0.00 C ATOM 579 CG LYS A 37 5.544 2.954 13.803 1.00 0.00 C ATOM 580 CD LYS A 37 5.763 1.607 13.124 1.00 0.00 C ATOM 581 CE LYS A 37 7.036 1.599 12.285 1.00 0.00 C ATOM 582 NZ LYS A 37 7.274 0.281 11.639 1.00 0.00 N ATOM 0 H LYS A 37 3.015 4.386 13.618 1.00 0.00 H new ATOM 0 HA LYS A 37 5.454 5.650 14.258 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.574 3.735 12.055 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.238 4.251 12.240 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.411 3.197 14.417 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.687 2.888 14.473 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.820 0.824 13.880 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.907 1.376 12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.969 2.371 11.518 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.887 1.851 12.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.150 0.322 11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.365 -0.453 12.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.475 0.051 11.015 1.00 0.00 H new ATOM 596 N TYR A 38 3.991 6.681 11.468 1.00 0.00 N ATOM 597 CA TYR A 38 4.100 7.662 10.367 1.00 0.00 C ATOM 598 C TYR A 38 3.006 8.751 10.358 1.00 0.00 C ATOM 599 O TYR A 38 2.826 9.430 9.360 1.00 0.00 O ATOM 600 CB TYR A 38 4.088 6.877 9.062 1.00 0.00 C ATOM 601 CG TYR A 38 5.181 5.831 9.032 1.00 0.00 C ATOM 602 CD1 TYR A 38 4.887 4.491 9.263 1.00 0.00 C ATOM 603 CD2 TYR A 38 6.505 6.183 8.820 1.00 0.00 C ATOM 604 CE1 TYR A 38 5.882 3.534 9.281 1.00 0.00 C ATOM 605 CE2 TYR A 38 7.508 5.229 8.828 1.00 0.00 C ATOM 606 CZ TYR A 38 7.188 3.906 9.061 1.00 0.00 C ATOM 607 OH TYR A 38 8.180 2.954 9.084 1.00 0.00 O ATOM 0 H TYR A 38 3.125 6.143 11.473 1.00 0.00 H new ATOM 0 HA TYR A 38 5.027 8.218 10.506 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.119 6.395 8.935 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.215 7.562 8.224 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.862 4.194 9.431 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.758 7.218 8.646 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.636 2.499 9.467 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.534 5.517 8.653 1.00 0.00 H new ATOM 0 HH TYR A 38 9.046 3.379 8.910 1.00 0.00 H new ATOM 617 N HIS A 39 2.303 8.924 11.455 1.00 0.00 N ATOM 618 CA HIS A 39 1.240 9.954 11.532 1.00 0.00 C ATOM 619 C HIS A 39 1.798 11.383 11.373 1.00 0.00 C ATOM 620 O HIS A 39 2.862 11.700 11.903 1.00 0.00 O ATOM 621 CB HIS A 39 0.471 9.844 12.867 1.00 0.00 C ATOM 622 CG HIS A 39 1.333 10.015 14.093 1.00 0.00 C ATOM 623 ND1 HIS A 39 0.828 10.290 15.343 1.00 0.00 N ATOM 624 CD2 HIS A 39 2.671 9.915 14.253 1.00 0.00 C ATOM 625 CE1 HIS A 39 1.823 10.349 16.209 1.00 0.00 C ATOM 626 NE2 HIS A 39 2.946 10.121 15.570 1.00 0.00 N ATOM 0 H HIS A 39 2.431 8.381 12.309 1.00 0.00 H new ATOM 0 HA HIS A 39 0.560 9.766 10.701 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.317 10.597 12.883 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.017 8.871 12.913 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -0.158 10.427 15.565 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.392 9.709 13.476 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.728 10.551 17.266 1.00 0.00 H new ATOM 634 N PRO A 40 1.056 12.263 10.663 1.00 0.00 N ATOM 635 CA PRO A 40 1.438 13.685 10.455 1.00 0.00 C ATOM 636 C PRO A 40 1.648 14.453 11.771 1.00 0.00 C ATOM 637 O PRO A 40 2.341 15.468 11.800 1.00 0.00 O ATOM 638 CB PRO A 40 0.235 14.260 9.701 1.00 0.00 C ATOM 639 CG PRO A 40 -0.356 13.089 9.001 1.00 0.00 C ATOM 640 CD PRO A 40 -0.197 11.934 9.944 1.00 0.00 C ATOM 0 HA PRO A 40 2.388 13.771 9.927 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.481 14.717 10.384 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.540 15.032 8.995 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.406 13.262 8.766 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.154 12.898 8.057 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.043 11.850 10.626 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.120 10.986 9.412 1.00 0.00 H new ATOM 648 N ASP A 41 1.037 13.965 12.846 1.00 0.00 N ATOM 649 CA ASP A 41 1.145 14.590 14.178 1.00 0.00 C ATOM 650 C ASP A 41 2.599 14.698 14.640 1.00 0.00 C ATOM 651 O ASP A 41 2.976 15.652 15.321 1.00 0.00 O ATOM 652 CB ASP A 41 0.335 13.804 15.215 1.00 0.00 C ATOM 653 CG ASP A 41 0.413 14.413 16.608 1.00 0.00 C ATOM 654 OD1 ASP A 41 -0.190 15.482 16.831 1.00 0.00 O ATOM 655 OD2 ASP A 41 1.072 13.815 17.489 1.00 0.00 O ATOM 0 H ASP A 41 0.453 13.129 12.828 1.00 0.00 H new ATOM 0 HA ASP A 41 0.739 15.598 14.090 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.707 13.762 14.899 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.699 12.777 15.251 1.00 0.00 H new ATOM 660 N LYS A 42 3.416 13.737 14.247 1.00 0.00 N ATOM 661 CA LYS A 42 4.802 13.691 14.690 1.00 0.00 C ATOM 662 C LYS A 42 5.746 13.511 13.508 1.00 0.00 C ATOM 663 O LYS A 42 6.941 13.782 13.605 1.00 0.00 O ATOM 664 CB LYS A 42 5.004 12.596 15.728 1.00 0.00 C ATOM 665 CG LYS A 42 4.282 12.868 17.031 1.00 0.00 C ATOM 666 CD LYS A 42 4.521 11.765 18.037 1.00 0.00 C ATOM 667 CE LYS A 42 3.792 12.038 19.338 1.00 0.00 C ATOM 668 NZ LYS A 42 4.005 10.955 20.328 1.00 0.00 N ATOM 0 H LYS A 42 3.146 12.977 13.622 1.00 0.00 H new ATOM 0 HA LYS A 42 5.038 14.645 15.161 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.656 11.648 15.319 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.070 12.485 15.927 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.620 13.818 17.444 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.213 12.965 16.843 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.187 10.814 17.623 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.590 11.671 18.229 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.136 12.984 19.755 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.725 12.145 19.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.490 11.179 21.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.654 10.056 19.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.020 10.869 20.536 1.00 0.00 H new ATOM 682 N ASN A 43 5.198 13.052 12.397 1.00 0.00 N ATOM 683 CA ASN A 43 5.956 12.869 11.181 1.00 0.00 C ATOM 684 C ASN A 43 5.537 13.901 10.157 1.00 0.00 C ATOM 685 O ASN A 43 4.446 13.826 9.597 1.00 0.00 O ATOM 686 CB ASN A 43 5.748 11.463 10.637 1.00 0.00 C ATOM 687 CG ASN A 43 6.264 10.419 11.583 1.00 0.00 C ATOM 688 OD1 ASN A 43 5.396 9.929 12.429 1.00 0.00 O flip ATOM 689 ND2 ASN A 43 7.446 10.066 11.556 1.00 0.00 N flip ATOM 0 H ASN A 43 4.214 12.797 12.317 1.00 0.00 H new ATOM 0 HA ASN A 43 7.016 12.999 11.398 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.686 11.297 10.456 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.254 11.366 9.677 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.086 10.478 10.877 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.783 9.362 12.213 1.00 0.00 H new ATOM 696 N PRO A 44 6.390 14.903 9.924 1.00 0.00 N ATOM 697 CA PRO A 44 6.103 15.994 8.988 1.00 0.00 C ATOM 698 C PRO A 44 6.244 15.581 7.524 1.00 0.00 C ATOM 699 O PRO A 44 5.831 16.315 6.617 1.00 0.00 O ATOM 700 CB PRO A 44 7.154 17.039 9.350 1.00 0.00 C ATOM 701 CG PRO A 44 8.306 16.244 9.852 1.00 0.00 C ATOM 702 CD PRO A 44 7.714 15.062 10.567 1.00 0.00 C ATOM 0 HA PRO A 44 5.074 16.341 9.075 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.432 17.639 8.484 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.785 17.728 10.110 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.946 15.922 9.030 1.00 0.00 H new ATOM 0 HG3 PRO A 44 8.925 16.837 10.525 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.329 14.170 10.447 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.622 15.244 11.638 1.00 0.00 H new ATOM 710 N SER A 45 6.830 14.421 7.295 1.00 0.00 N ATOM 711 CA SER A 45 7.058 13.940 5.966 1.00 0.00 C ATOM 712 C SER A 45 5.777 13.596 5.258 1.00 0.00 C ATOM 713 O SER A 45 4.878 12.961 5.822 1.00 0.00 O ATOM 714 CB SER A 45 7.988 12.746 6.006 1.00 0.00 C ATOM 715 OG SER A 45 7.753 11.964 7.160 1.00 0.00 O ATOM 0 H SER A 45 7.157 13.794 8.030 1.00 0.00 H new ATOM 0 HA SER A 45 7.526 14.743 5.396 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.844 12.137 5.113 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.024 13.086 5.996 1.00 0.00 H new ATOM 0 HG SER A 45 8.363 11.197 7.165 1.00 0.00 H new ATOM 721 N GLU A 46 5.700 14.022 4.017 1.00 0.00 N ATOM 722 CA GLU A 46 4.568 13.745 3.193 1.00 0.00 C ATOM 723 C GLU A 46 4.435 12.259 2.995 1.00 0.00 C ATOM 724 O GLU A 46 3.352 11.727 3.046 1.00 0.00 O ATOM 725 CB GLU A 46 4.689 14.448 1.849 1.00 0.00 C ATOM 726 CG GLU A 46 3.526 14.174 0.933 1.00 0.00 C ATOM 727 CD GLU A 46 3.658 14.859 -0.396 1.00 0.00 C ATOM 728 OE1 GLU A 46 2.803 15.708 -0.715 1.00 0.00 O ATOM 729 OE2 GLU A 46 4.617 14.552 -1.136 1.00 0.00 O ATOM 0 H GLU A 46 6.428 14.571 3.559 1.00 0.00 H new ATOM 0 HA GLU A 46 3.675 14.122 3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.769 15.523 2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.611 14.131 1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.439 13.099 0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.605 14.501 1.415 1.00 0.00 H new ATOM 736 N GLU A 47 5.569 11.594 2.813 1.00 0.00 N ATOM 737 CA GLU A 47 5.603 10.157 2.598 1.00 0.00 C ATOM 738 C GLU A 47 4.983 9.433 3.770 1.00 0.00 C ATOM 739 O GLU A 47 4.262 8.458 3.597 1.00 0.00 O ATOM 740 CB GLU A 47 7.038 9.704 2.475 1.00 0.00 C ATOM 741 CG GLU A 47 7.756 10.212 1.248 1.00 0.00 C ATOM 742 CD GLU A 47 9.172 9.703 1.176 1.00 0.00 C ATOM 743 OE1 GLU A 47 10.110 10.500 1.384 1.00 0.00 O ATOM 744 OE2 GLU A 47 9.356 8.496 0.924 1.00 0.00 O ATOM 0 H GLU A 47 6.488 12.037 2.811 1.00 0.00 H new ATOM 0 HA GLU A 47 5.045 9.931 1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.585 10.029 3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.062 8.614 2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.213 9.902 0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.762 11.302 1.256 1.00 0.00 H new ATOM 751 N ALA A 48 5.278 9.914 4.964 1.00 0.00 N ATOM 752 CA ALA A 48 4.733 9.320 6.174 1.00 0.00 C ATOM 753 C ALA A 48 3.235 9.439 6.165 1.00 0.00 C ATOM 754 O ALA A 48 2.507 8.496 6.496 1.00 0.00 O ATOM 755 CB ALA A 48 5.320 9.985 7.404 1.00 0.00 C ATOM 0 H ALA A 48 5.891 10.713 5.123 1.00 0.00 H new ATOM 0 HA ALA A 48 5.001 8.264 6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.901 9.528 8.300 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.403 9.858 7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.079 11.048 7.393 1.00 0.00 H new ATOM 761 N ALA A 49 2.792 10.588 5.748 1.00 0.00 N ATOM 762 CA ALA A 49 1.377 10.877 5.621 1.00 0.00 C ATOM 763 C ALA A 49 0.753 9.980 4.558 1.00 0.00 C ATOM 764 O ALA A 49 -0.368 9.494 4.712 1.00 0.00 O ATOM 765 CB ALA A 49 1.156 12.345 5.285 1.00 0.00 C ATOM 0 H ALA A 49 3.399 11.363 5.482 1.00 0.00 H new ATOM 0 HA ALA A 49 0.892 10.674 6.576 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.088 12.541 5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.573 12.966 6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.649 12.581 4.342 1.00 0.00 H new ATOM 771 N GLU A 50 1.499 9.765 3.476 1.00 0.00 N ATOM 772 CA GLU A 50 1.055 8.930 2.374 1.00 0.00 C ATOM 773 C GLU A 50 0.890 7.505 2.861 1.00 0.00 C ATOM 774 O GLU A 50 -0.074 6.827 2.532 1.00 0.00 O ATOM 775 CB GLU A 50 2.091 8.949 1.250 1.00 0.00 C ATOM 776 CG GLU A 50 2.381 10.328 0.711 1.00 0.00 C ATOM 777 CD GLU A 50 3.216 10.303 -0.548 1.00 0.00 C ATOM 778 OE1 GLU A 50 4.422 10.025 -0.459 1.00 0.00 O ATOM 779 OE2 GLU A 50 2.660 10.565 -1.641 1.00 0.00 O ATOM 0 H GLU A 50 2.427 10.167 3.344 1.00 0.00 H new ATOM 0 HA GLU A 50 0.106 9.313 1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.019 8.510 1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.740 8.317 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.440 10.838 0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.900 10.909 1.474 1.00 0.00 H new ATOM 786 N LYS A 51 1.838 7.073 3.669 1.00 0.00 N ATOM 787 CA LYS A 51 1.811 5.742 4.250 1.00 0.00 C ATOM 788 C LYS A 51 0.583 5.581 5.114 1.00 0.00 C ATOM 789 O LYS A 51 -0.053 4.535 5.117 1.00 0.00 O ATOM 790 CB LYS A 51 3.068 5.511 5.068 1.00 0.00 C ATOM 791 CG LYS A 51 4.320 5.377 4.224 1.00 0.00 C ATOM 792 CD LYS A 51 5.566 5.342 5.082 1.00 0.00 C ATOM 793 CE LYS A 51 5.550 4.162 6.038 1.00 0.00 C ATOM 794 NZ LYS A 51 5.479 2.863 5.323 1.00 0.00 N ATOM 0 H LYS A 51 2.647 7.631 3.942 1.00 0.00 H new ATOM 0 HA LYS A 51 1.773 5.003 3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.196 6.339 5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.943 4.608 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.262 4.467 3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.381 6.212 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.447 5.282 4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.645 6.270 5.649 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.447 4.186 6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.696 4.252 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.657 2.088 5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.534 2.748 4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.196 2.841 4.570 1.00 0.00 H new ATOM 808 N PHE A 52 0.263 6.627 5.847 1.00 0.00 N ATOM 809 CA PHE A 52 -0.943 6.671 6.628 1.00 0.00 C ATOM 810 C PHE A 52 -2.177 6.503 5.714 1.00 0.00 C ATOM 811 O PHE A 52 -3.121 5.786 6.056 1.00 0.00 O ATOM 812 CB PHE A 52 -1.016 7.968 7.439 1.00 0.00 C ATOM 813 CG PHE A 52 -2.268 8.089 8.267 1.00 0.00 C ATOM 814 CD1 PHE A 52 -2.400 7.393 9.452 1.00 0.00 C ATOM 815 CD2 PHE A 52 -3.315 8.896 7.852 1.00 0.00 C ATOM 816 CE1 PHE A 52 -3.550 7.495 10.209 1.00 0.00 C ATOM 817 CE2 PHE A 52 -4.467 9.003 8.607 1.00 0.00 C ATOM 818 CZ PHE A 52 -4.584 8.301 9.785 1.00 0.00 C ATOM 0 H PHE A 52 0.836 7.468 5.914 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.934 5.843 7.337 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.148 8.026 8.096 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.957 8.817 6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.593 6.760 9.791 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.230 9.448 6.928 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.639 6.943 11.133 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.275 9.637 8.273 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.484 8.382 10.376 1.00 0.00 H new ATOM 828 N LYS A 53 -2.159 7.168 4.550 1.00 0.00 N ATOM 829 CA LYS A 53 -3.268 7.081 3.590 1.00 0.00 C ATOM 830 C LYS A 53 -3.455 5.636 3.124 1.00 0.00 C ATOM 831 O LYS A 53 -4.584 5.134 3.031 1.00 0.00 O ATOM 832 CB LYS A 53 -2.978 7.968 2.370 1.00 0.00 C ATOM 833 CG LYS A 53 -2.957 9.462 2.654 1.00 0.00 C ATOM 834 CD LYS A 53 -4.339 9.988 2.996 1.00 0.00 C ATOM 835 CE LYS A 53 -4.321 11.493 3.211 1.00 0.00 C ATOM 836 NZ LYS A 53 -5.669 12.020 3.532 1.00 0.00 N ATOM 0 H LYS A 53 -1.392 7.770 4.252 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.178 7.422 4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.014 7.679 1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.731 7.769 1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.275 9.666 3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.571 9.992 1.784 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.033 9.742 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.706 9.494 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.633 11.736 4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.943 11.984 2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.615 13.049 3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.319 11.810 2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.019 11.571 4.402 1.00 0.00 H new ATOM 850 N GLU A 54 -2.354 4.975 2.830 1.00 0.00 N ATOM 851 CA GLU A 54 -2.381 3.579 2.444 1.00 0.00 C ATOM 852 C GLU A 54 -2.800 2.674 3.601 1.00 0.00 C ATOM 853 O GLU A 54 -3.591 1.746 3.420 1.00 0.00 O ATOM 854 CB GLU A 54 -1.029 3.153 1.900 1.00 0.00 C ATOM 855 CG GLU A 54 -0.798 3.492 0.433 1.00 0.00 C ATOM 856 CD GLU A 54 -0.930 4.957 0.076 1.00 0.00 C ATOM 857 OE1 GLU A 54 -2.059 5.397 -0.247 1.00 0.00 O ATOM 858 OE2 GLU A 54 0.104 5.656 0.052 1.00 0.00 O ATOM 0 H GLU A 54 -1.421 5.387 2.852 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.130 3.472 1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.248 3.625 2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.923 2.076 2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.200 3.156 0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.506 2.924 -0.170 1.00 0.00 H new ATOM 865 N ALA A 55 -2.287 2.967 4.789 1.00 0.00 N ATOM 866 CA ALA A 55 -2.582 2.176 5.974 1.00 0.00 C ATOM 867 C ALA A 55 -4.055 2.251 6.318 1.00 0.00 C ATOM 868 O ALA A 55 -4.670 1.255 6.693 1.00 0.00 O ATOM 869 CB ALA A 55 -1.737 2.642 7.152 1.00 0.00 C ATOM 0 H ALA A 55 -1.660 3.754 4.957 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.334 1.137 5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.971 2.039 8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.680 2.532 6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.953 3.689 7.363 1.00 0.00 H new ATOM 875 N SER A 56 -4.618 3.439 6.180 1.00 0.00 N ATOM 876 CA SER A 56 -6.004 3.654 6.476 1.00 0.00 C ATOM 877 C SER A 56 -6.915 2.916 5.493 1.00 0.00 C ATOM 878 O SER A 56 -7.912 2.348 5.896 1.00 0.00 O ATOM 879 CB SER A 56 -6.308 5.154 6.533 1.00 0.00 C ATOM 880 OG SER A 56 -5.967 5.800 5.320 1.00 0.00 O ATOM 0 H SER A 56 -4.121 4.271 5.861 1.00 0.00 H new ATOM 0 HA SER A 56 -6.214 3.234 7.460 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.368 5.304 6.741 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.755 5.607 7.356 1.00 0.00 H new ATOM 0 HG SER A 56 -5.491 5.172 4.738 1.00 0.00 H new ATOM 886 N ALA A 57 -6.550 2.901 4.203 1.00 0.00 N ATOM 887 CA ALA A 57 -7.339 2.170 3.199 1.00 0.00 C ATOM 888 C ALA A 57 -7.302 0.674 3.488 1.00 0.00 C ATOM 889 O ALA A 57 -8.313 -0.038 3.365 1.00 0.00 O ATOM 890 CB ALA A 57 -6.819 2.456 1.800 1.00 0.00 C ATOM 0 H ALA A 57 -5.728 3.378 3.834 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.373 2.510 3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.415 1.907 1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.891 3.524 1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.778 2.142 1.728 1.00 0.00 H new ATOM 896 N ALA A 58 -6.127 0.211 3.880 1.00 0.00 N ATOM 897 CA ALA A 58 -5.923 -1.170 4.245 1.00 0.00 C ATOM 898 C ALA A 58 -6.809 -1.509 5.408 1.00 0.00 C ATOM 899 O ALA A 58 -7.479 -2.518 5.407 1.00 0.00 O ATOM 900 CB ALA A 58 -4.467 -1.404 4.618 1.00 0.00 C ATOM 0 H ALA A 58 -5.289 0.788 3.952 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.172 -1.808 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.325 -2.449 4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.830 -1.162 3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.201 -0.769 5.463 1.00 0.00 H new ATOM 906 N TYR A 59 -6.840 -0.616 6.376 1.00 0.00 N ATOM 907 CA TYR A 59 -7.689 -0.752 7.541 1.00 0.00 C ATOM 908 C TYR A 59 -9.148 -0.777 7.130 1.00 0.00 C ATOM 909 O TYR A 59 -9.919 -1.539 7.652 1.00 0.00 O ATOM 910 CB TYR A 59 -7.421 0.396 8.514 1.00 0.00 C ATOM 911 CG TYR A 59 -8.240 0.385 9.789 1.00 0.00 C ATOM 912 CD1 TYR A 59 -7.862 -0.398 10.869 1.00 0.00 C ATOM 913 CD2 TYR A 59 -9.368 1.186 9.925 1.00 0.00 C ATOM 914 CE1 TYR A 59 -8.581 -0.385 12.047 1.00 0.00 C ATOM 915 CE2 TYR A 59 -10.096 1.199 11.099 1.00 0.00 C ATOM 916 CZ TYR A 59 -9.696 0.415 12.157 1.00 0.00 C ATOM 917 OH TYR A 59 -10.407 0.438 13.337 1.00 0.00 O ATOM 0 H TYR A 59 -6.272 0.231 6.376 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.461 -1.694 8.040 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.365 0.380 8.783 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.604 1.337 7.995 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.990 -1.029 10.787 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.680 1.808 9.099 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.270 -1.000 12.879 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.974 1.821 11.186 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.164 1.054 13.251 1.00 0.00 H new ATOM 927 N GLU A 60 -9.500 0.039 6.162 1.00 0.00 N ATOM 928 CA GLU A 60 -10.883 0.154 5.737 1.00 0.00 C ATOM 929 C GLU A 60 -11.441 -1.192 5.270 1.00 0.00 C ATOM 930 O GLU A 60 -12.588 -1.522 5.556 1.00 0.00 O ATOM 931 CB GLU A 60 -11.014 1.173 4.604 1.00 0.00 C ATOM 932 CG GLU A 60 -10.717 2.599 5.019 1.00 0.00 C ATOM 933 CD GLU A 60 -11.580 3.068 6.171 1.00 0.00 C ATOM 934 OE1 GLU A 60 -12.821 2.913 6.095 1.00 0.00 O ATOM 935 OE2 GLU A 60 -11.026 3.609 7.152 1.00 0.00 O ATOM 0 H GLU A 60 -8.849 0.635 5.651 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.459 0.489 6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.337 0.892 3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.026 1.126 4.202 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.667 2.679 5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.868 3.260 4.165 1.00 0.00 H new ATOM 942 N ILE A 61 -10.643 -1.958 4.545 1.00 0.00 N ATOM 943 CA ILE A 61 -11.104 -3.257 4.080 1.00 0.00 C ATOM 944 C ILE A 61 -10.740 -4.367 5.047 1.00 0.00 C ATOM 945 O ILE A 61 -11.566 -5.193 5.399 1.00 0.00 O ATOM 946 CB ILE A 61 -10.587 -3.585 2.661 1.00 0.00 C ATOM 947 CG1 ILE A 61 -9.062 -3.448 2.583 1.00 0.00 C ATOM 948 CG2 ILE A 61 -11.265 -2.697 1.626 1.00 0.00 C ATOM 949 CD1 ILE A 61 -8.479 -3.905 1.271 1.00 0.00 C ATOM 0 H ILE A 61 -9.692 -1.711 4.270 1.00 0.00 H new ATOM 0 HA ILE A 61 -12.191 -3.195 4.032 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.839 -4.622 2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.791 -2.405 2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.612 -4.025 3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -10.888 -2.943 0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.342 -2.861 1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.050 -1.651 1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.397 -3.778 1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.718 -4.957 1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.900 -3.311 0.459 1.00 0.00 H new ATOM 961 N LEU A 62 -9.508 -4.368 5.469 1.00 0.00 N ATOM 962 CA LEU A 62 -8.987 -5.394 6.349 1.00 0.00 C ATOM 963 C LEU A 62 -9.651 -5.414 7.734 1.00 0.00 C ATOM 964 O LEU A 62 -9.901 -6.483 8.279 1.00 0.00 O ATOM 965 CB LEU A 62 -7.485 -5.247 6.447 1.00 0.00 C ATOM 966 CG LEU A 62 -6.738 -5.496 5.135 1.00 0.00 C ATOM 967 CD1 LEU A 62 -5.250 -5.273 5.301 1.00 0.00 C ATOM 968 CD2 LEU A 62 -7.017 -6.888 4.604 1.00 0.00 C ATOM 0 H LEU A 62 -8.825 -3.654 5.214 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.233 -6.361 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.253 -4.241 6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.113 -5.941 7.200 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.106 -4.776 4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.746 -5.458 4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.069 -4.245 5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.862 -5.956 6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.473 -7.037 3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.693 -7.628 5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.086 -7.001 4.423 1.00 0.00 H new ATOM 980 N SER A 63 -9.948 -4.241 8.290 1.00 0.00 N ATOM 981 CA SER A 63 -10.603 -4.147 9.610 1.00 0.00 C ATOM 982 C SER A 63 -12.014 -4.743 9.571 1.00 0.00 C ATOM 983 O SER A 63 -12.654 -4.920 10.608 1.00 0.00 O ATOM 984 CB SER A 63 -10.661 -2.685 10.071 1.00 0.00 C ATOM 985 OG SER A 63 -11.203 -2.560 11.370 1.00 0.00 O ATOM 0 H SER A 63 -9.749 -3.340 7.855 1.00 0.00 H new ATOM 0 HA SER A 63 -10.011 -4.722 10.322 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.658 -2.260 10.055 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.263 -2.108 9.370 1.00 0.00 H new ATOM 0 HG SER A 63 -11.890 -3.246 11.505 1.00 0.00 H new ATOM 991 N ASP A 64 -12.489 -5.046 8.381 1.00 0.00 N ATOM 992 CA ASP A 64 -13.796 -5.631 8.216 1.00 0.00 C ATOM 993 C ASP A 64 -13.655 -6.969 7.556 1.00 0.00 C ATOM 994 O ASP A 64 -13.402 -7.048 6.383 1.00 0.00 O ATOM 995 CB ASP A 64 -14.746 -4.717 7.433 1.00 0.00 C ATOM 996 CG ASP A 64 -15.118 -3.470 8.207 1.00 0.00 C ATOM 997 OD1 ASP A 64 -15.689 -3.600 9.311 1.00 0.00 O ATOM 998 OD2 ASP A 64 -14.857 -2.353 7.717 1.00 0.00 O ATOM 0 H ASP A 64 -11.982 -4.894 7.509 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.245 -5.759 9.201 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.276 -4.430 6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.652 -5.269 7.182 1.00 0.00 H new ATOM 1003 N PRO A 65 -13.825 -8.038 8.323 1.00 0.00 N ATOM 1004 CA PRO A 65 -13.620 -9.425 7.868 1.00 0.00 C ATOM 1005 C PRO A 65 -14.325 -9.745 6.559 1.00 0.00 C ATOM 1006 O PRO A 65 -13.811 -10.510 5.748 1.00 0.00 O ATOM 1007 CB PRO A 65 -14.220 -10.238 9.001 1.00 0.00 C ATOM 1008 CG PRO A 65 -14.013 -9.389 10.194 1.00 0.00 C ATOM 1009 CD PRO A 65 -14.212 -7.981 9.731 1.00 0.00 C ATOM 0 HA PRO A 65 -12.569 -9.630 7.663 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -15.278 -10.439 8.832 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.725 -11.203 9.106 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.720 -9.645 10.983 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.013 -9.528 10.604 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.246 -7.659 9.852 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.592 -7.281 10.291 1.00 0.00 H new ATOM 1017 N GLU A 66 -15.477 -9.147 6.343 1.00 0.00 N ATOM 1018 CA GLU A 66 -16.216 -9.398 5.121 1.00 0.00 C ATOM 1019 C GLU A 66 -15.503 -8.766 3.953 1.00 0.00 C ATOM 1020 O GLU A 66 -15.368 -9.361 2.898 1.00 0.00 O ATOM 1021 CB GLU A 66 -17.658 -8.913 5.225 1.00 0.00 C ATOM 1022 CG GLU A 66 -18.505 -9.769 6.145 1.00 0.00 C ATOM 1023 CD GLU A 66 -18.615 -11.194 5.650 1.00 0.00 C ATOM 1024 OE1 GLU A 66 -19.305 -11.425 4.638 1.00 0.00 O ATOM 1025 OE2 GLU A 66 -17.994 -12.092 6.258 1.00 0.00 O ATOM 0 H GLU A 66 -15.919 -8.491 6.987 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.260 -10.475 4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.665 -7.885 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.105 -8.905 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -18.072 -9.765 7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -19.502 -9.336 6.228 1.00 0.00 H new ATOM 1032 N LYS A 67 -14.987 -7.584 4.187 1.00 0.00 N ATOM 1033 CA LYS A 67 -14.265 -6.834 3.204 1.00 0.00 C ATOM 1034 C LYS A 67 -12.918 -7.458 2.995 1.00 0.00 C ATOM 1035 O LYS A 67 -12.378 -7.478 1.897 1.00 0.00 O ATOM 1036 CB LYS A 67 -14.129 -5.402 3.687 1.00 0.00 C ATOM 1037 CG LYS A 67 -15.426 -4.613 3.643 1.00 0.00 C ATOM 1038 CD LYS A 67 -15.863 -4.370 2.203 1.00 0.00 C ATOM 1039 CE LYS A 67 -17.089 -3.474 2.121 1.00 0.00 C ATOM 1040 NZ LYS A 67 -18.286 -4.098 2.736 1.00 0.00 N ATOM 0 H LYS A 67 -15.062 -7.112 5.088 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.797 -6.838 2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.753 -5.408 4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.384 -4.892 3.077 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.205 -5.156 4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.294 -3.659 4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.043 -3.914 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.080 -5.325 1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.879 -2.528 2.620 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.299 -3.244 1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.110 -3.480 2.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.465 -5.020 2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.123 -4.232 3.754 1.00 0.00 H new ATOM 1054 N ARG A 68 -12.394 -7.960 4.078 1.00 0.00 N ATOM 1055 CA ARG A 68 -11.120 -8.593 4.132 1.00 0.00 C ATOM 1056 C ARG A 68 -11.154 -9.852 3.280 1.00 0.00 C ATOM 1057 O ARG A 68 -10.243 -10.116 2.508 1.00 0.00 O ATOM 1058 CB ARG A 68 -10.851 -8.964 5.584 1.00 0.00 C ATOM 1059 CG ARG A 68 -9.392 -9.110 5.931 1.00 0.00 C ATOM 1060 CD ARG A 68 -9.127 -10.410 6.687 1.00 0.00 C ATOM 1061 NE ARG A 68 -9.627 -11.596 5.970 1.00 0.00 N ATOM 1062 CZ ARG A 68 -8.849 -12.492 5.359 1.00 0.00 C ATOM 1063 NH1 ARG A 68 -7.534 -12.337 5.357 1.00 0.00 N ATOM 1064 NH2 ARG A 68 -9.391 -13.542 4.752 1.00 0.00 N ATOM 0 H ARG A 68 -12.868 -7.935 4.981 1.00 0.00 H new ATOM 0 HA ARG A 68 -10.339 -7.932 3.757 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.290 -8.202 6.228 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.360 -9.902 5.807 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.796 -9.090 5.019 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.074 -8.263 6.539 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.055 -10.516 6.854 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.599 -10.358 7.668 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.636 -11.742 5.938 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.115 -11.532 5.823 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.940 -13.022 4.890 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.404 -13.665 4.752 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.795 -14.226 4.286 1.00 0.00 H new ATOM 1078 N ASP A 69 -12.236 -10.621 3.428 1.00 0.00 N ATOM 1079 CA ASP A 69 -12.433 -11.838 2.655 1.00 0.00 C ATOM 1080 C ASP A 69 -12.659 -11.506 1.220 1.00 0.00 C ATOM 1081 O ASP A 69 -12.216 -12.216 0.337 1.00 0.00 O ATOM 1082 CB ASP A 69 -13.575 -12.691 3.205 1.00 0.00 C ATOM 1083 CG ASP A 69 -13.218 -13.337 4.522 1.00 0.00 C ATOM 1084 OD1 ASP A 69 -12.069 -13.812 4.663 1.00 0.00 O ATOM 1085 OD2 ASP A 69 -14.079 -13.376 5.429 1.00 0.00 O ATOM 0 H ASP A 69 -12.991 -10.415 4.082 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.524 -12.434 2.740 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.461 -12.070 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.831 -13.464 2.480 1.00 0.00 H new ATOM 1090 N ILE A 70 -13.370 -10.429 0.990 1.00 0.00 N ATOM 1091 CA ILE A 70 -13.585 -9.935 -0.344 1.00 0.00 C ATOM 1092 C ILE A 70 -12.245 -9.588 -0.990 1.00 0.00 C ATOM 1093 O ILE A 70 -11.952 -10.016 -2.103 1.00 0.00 O ATOM 1094 CB ILE A 70 -14.505 -8.696 -0.308 1.00 0.00 C ATOM 1095 CG1 ILE A 70 -15.948 -9.098 0.033 1.00 0.00 C ATOM 1096 CG2 ILE A 70 -14.447 -7.901 -1.610 1.00 0.00 C ATOM 1097 CD1 ILE A 70 -16.582 -10.040 -0.971 1.00 0.00 C ATOM 0 H ILE A 70 -13.814 -9.873 1.721 1.00 0.00 H new ATOM 0 HA ILE A 70 -14.070 -10.709 -0.939 1.00 0.00 H new ATOM 0 HB ILE A 70 -14.137 -8.040 0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -15.960 -9.570 1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.557 -8.197 0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -15.110 -7.038 -1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -13.426 -7.561 -1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -14.764 -8.535 -2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -17.599 -10.275 -0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -16.605 -9.565 -1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -15.998 -10.959 -1.027 1.00 0.00 H new ATOM 1109 N TYR A 71 -11.422 -8.856 -0.267 1.00 0.00 N ATOM 1110 CA TYR A 71 -10.085 -8.511 -0.755 1.00 0.00 C ATOM 1111 C TYR A 71 -9.251 -9.778 -0.984 1.00 0.00 C ATOM 1112 O TYR A 71 -8.570 -9.912 -1.996 1.00 0.00 O ATOM 1113 CB TYR A 71 -9.383 -7.541 0.207 1.00 0.00 C ATOM 1114 CG TYR A 71 -7.992 -7.121 -0.235 1.00 0.00 C ATOM 1115 CD1 TYR A 71 -7.803 -6.372 -1.393 1.00 0.00 C ATOM 1116 CD2 TYR A 71 -6.874 -7.454 0.515 1.00 0.00 C ATOM 1117 CE1 TYR A 71 -6.539 -5.973 -1.789 1.00 0.00 C ATOM 1118 CE2 TYR A 71 -5.607 -7.059 0.125 1.00 0.00 C ATOM 1119 CZ TYR A 71 -5.444 -6.322 -1.025 1.00 0.00 C ATOM 1120 OH TYR A 71 -4.179 -5.924 -1.411 1.00 0.00 O ATOM 0 H TYR A 71 -11.646 -8.486 0.657 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.189 -8.002 -1.713 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.000 -6.650 0.320 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.314 -8.008 1.189 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.658 -6.098 -1.993 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.995 -8.032 1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.410 -5.392 -2.690 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.748 -7.328 0.722 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.237 -5.076 -1.898 1.00 0.00 H new ATOM 1130 N ASP A 72 -9.314 -10.686 -0.029 1.00 0.00 N ATOM 1131 CA ASP A 72 -8.604 -11.965 -0.093 1.00 0.00 C ATOM 1132 C ASP A 72 -9.038 -12.824 -1.297 1.00 0.00 C ATOM 1133 O ASP A 72 -8.202 -13.315 -2.050 1.00 0.00 O ATOM 1134 CB ASP A 72 -8.845 -12.733 1.213 1.00 0.00 C ATOM 1135 CG ASP A 72 -8.319 -14.148 1.187 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -7.084 -14.341 1.191 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -9.145 -15.082 1.184 1.00 0.00 O ATOM 0 H ASP A 72 -9.862 -10.563 0.823 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.543 -11.753 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.373 -12.194 2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.915 -12.756 1.419 1.00 0.00 H new ATOM 1142 N GLN A 73 -10.339 -12.990 -1.472 1.00 0.00 N ATOM 1143 CA GLN A 73 -10.878 -13.834 -2.543 1.00 0.00 C ATOM 1144 C GLN A 73 -10.635 -13.241 -3.913 1.00 0.00 C ATOM 1145 O GLN A 73 -10.296 -13.952 -4.852 1.00 0.00 O ATOM 1146 CB GLN A 73 -12.367 -14.066 -2.351 1.00 0.00 C ATOM 1147 CG GLN A 73 -12.704 -14.911 -1.146 1.00 0.00 C ATOM 1148 CD GLN A 73 -14.192 -15.056 -0.952 1.00 0.00 C ATOM 1149 OE1 GLN A 73 -14.817 -15.971 -1.490 1.00 0.00 O ATOM 1150 NE2 GLN A 73 -14.772 -14.148 -0.199 1.00 0.00 N ATOM 0 H GLN A 73 -11.050 -12.552 -0.886 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.350 -14.786 -2.486 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -12.866 -13.101 -2.257 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.768 -14.547 -3.243 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.256 -15.898 -1.260 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.265 -14.462 -0.255 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.215 -13.407 0.227 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.779 -14.184 -0.041 1.00 0.00 H new ATOM 1159 N PHE A 74 -10.797 -11.940 -4.024 1.00 0.00 N ATOM 1160 CA PHE A 74 -10.619 -11.275 -5.300 1.00 0.00 C ATOM 1161 C PHE A 74 -9.163 -10.933 -5.540 1.00 0.00 C ATOM 1162 O PHE A 74 -8.792 -10.467 -6.621 1.00 0.00 O ATOM 1163 CB PHE A 74 -11.508 -10.034 -5.409 1.00 0.00 C ATOM 1164 CG PHE A 74 -12.982 -10.357 -5.470 1.00 0.00 C ATOM 1165 CD1 PHE A 74 -13.758 -10.358 -4.326 1.00 0.00 C ATOM 1166 CD2 PHE A 74 -13.582 -10.665 -6.675 1.00 0.00 C ATOM 1167 CE1 PHE A 74 -15.103 -10.658 -4.381 1.00 0.00 C ATOM 1168 CE2 PHE A 74 -14.930 -10.966 -6.737 1.00 0.00 C ATOM 1169 CZ PHE A 74 -15.689 -10.962 -5.588 1.00 0.00 C ATOM 0 H PHE A 74 -11.050 -11.323 -3.252 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.928 -11.969 -6.081 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.321 -9.385 -4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.229 -9.473 -6.301 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -13.304 -10.120 -3.375 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -12.992 -10.671 -7.579 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -15.695 -10.654 -3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -15.387 -11.204 -7.686 1.00 0.00 H new ATOM 0 HZ PHE A 74 -16.742 -11.197 -5.634 1.00 0.00 H new ATOM 1179 N GLY A 75 -8.341 -11.157 -4.534 1.00 0.00 N ATOM 1180 CA GLY A 75 -6.925 -10.950 -4.695 1.00 0.00 C ATOM 1181 C GLY A 75 -6.226 -12.234 -5.093 1.00 0.00 C ATOM 1182 O GLY A 75 -5.686 -12.927 -4.204 1.00 0.00 O ATOM 1183 OXT GLY A 75 -6.255 -12.581 -6.294 1.00 0.00 O ATOM 0 H GLY A 75 -8.629 -11.478 -3.610 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.750 -10.187 -5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.501 -10.576 -3.763 1.00 0.00 H new TER 1187 GLY A 75