USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 600 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 69 SER OG : rot -102:sc= 0.095 USER MOD Set 1.2: A 74 SER OG : rot 180:sc= 0.0892 USER MOD Set 2.1: A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 76 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 1 GLY N :NH3+ 171:sc= -0.0324 (180deg=-0.153) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.435 X(o=-0.44,f=-0.063) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.022 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.682 K(o=-0.68,f=-1.4) USER MOD Single : A 20 HIS : no HD1:sc= -6.46! C(o=-6.5!,f=-13!) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -170:sc= -0.458 USER MOD Single : A 35 SER OG : rot -136:sc= -1.79! USER MOD Single : A 38 GLN : amide:sc= -0.435 X(o=-0.44,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.573 X(o=-0.57,f=-0.69) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= -0.657 (180deg=-0.666) USER MOD Single : A 56 THR OG1 : rot -64:sc= 0.343 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.243 USER MOD Single : A 61 LYS NZ :NH3+ -152:sc=-0.00957 (180deg=-0.727) USER MOD Single : A 66 GLN : amide:sc= -0.698 X(o=-0.7,f=-0.39) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 73 HIS : no HD1:sc= -0.483 K(o=-0.48,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.022 -14.555 28.469 1.00 0.00 N ATOM 2 CA GLY A 1 -14.469 -13.265 27.972 1.00 0.00 C ATOM 3 C GLY A 1 -15.415 -12.103 28.198 1.00 0.00 C ATOM 4 O GLY A 1 -15.340 -11.089 27.503 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.412 -15.337 28.158 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.061 -14.539 29.508 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.980 -14.691 28.089 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.523 -13.062 28.473 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.253 -13.352 26.907 1.00 0.00 H new ATOM 10 N SER A 2 -16.307 -12.247 29.174 1.00 0.00 N ATOM 11 CA SER A 2 -17.271 -11.199 29.493 1.00 0.00 C ATOM 12 C SER A 2 -18.139 -10.864 28.282 1.00 0.00 C ATOM 13 O SER A 2 -17.831 -9.947 27.521 1.00 0.00 O ATOM 14 CB SER A 2 -16.547 -9.942 29.980 1.00 0.00 C ATOM 15 OG SER A 2 -15.456 -10.275 30.823 1.00 0.00 O ATOM 0 H SER A 2 -16.382 -13.080 29.758 1.00 0.00 H new ATOM 0 HA SER A 2 -17.919 -11.569 30.288 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.188 -9.371 29.124 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.245 -9.302 30.520 1.00 0.00 H new ATOM 0 HG SER A 2 -15.009 -9.455 31.119 1.00 0.00 H new ATOM 21 N MET A 3 -19.225 -11.614 28.114 1.00 0.00 N ATOM 22 CA MET A 3 -20.137 -11.397 26.998 1.00 0.00 C ATOM 23 C MET A 3 -19.412 -11.538 25.664 1.00 0.00 C ATOM 24 O MET A 3 -18.186 -11.633 25.620 1.00 0.00 O ATOM 25 CB MET A 3 -20.779 -10.011 27.099 1.00 0.00 C ATOM 26 CG MET A 3 -22.205 -9.957 26.570 1.00 0.00 C ATOM 27 SD MET A 3 -23.429 -9.710 27.872 1.00 0.00 S ATOM 28 CE MET A 3 -24.510 -8.513 27.090 1.00 0.00 C ATOM 0 H MET A 3 -19.493 -12.376 28.736 1.00 0.00 H new ATOM 0 HA MET A 3 -20.917 -12.157 27.047 1.00 0.00 H new ATOM 0 HB2 MET A 3 -20.776 -9.694 28.142 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.169 -9.297 26.547 1.00 0.00 H new ATOM 0 HG2 MET A 3 -22.287 -9.149 25.843 1.00 0.00 H new ATOM 0 HG3 MET A 3 -22.426 -10.884 26.042 1.00 0.00 H new ATOM 0 HE1 MET A 3 -25.322 -8.257 27.771 1.00 0.00 H new ATOM 0 HE2 MET A 3 -23.943 -7.615 26.847 1.00 0.00 H new ATOM 0 HE3 MET A 3 -24.924 -8.939 26.176 1.00 0.00 H new ATOM 38 N ILE A 4 -20.180 -11.549 24.580 1.00 0.00 N ATOM 39 CA ILE A 4 -19.614 -11.676 23.242 1.00 0.00 C ATOM 40 C ILE A 4 -19.790 -10.388 22.447 1.00 0.00 C ATOM 41 O ILE A 4 -20.905 -10.024 22.073 1.00 0.00 O ATOM 42 CB ILE A 4 -20.261 -12.837 22.460 1.00 0.00 C ATOM 43 CG1 ILE A 4 -21.789 -12.748 22.527 1.00 0.00 C ATOM 44 CG2 ILE A 4 -19.775 -14.174 23.000 1.00 0.00 C ATOM 45 CD1 ILE A 4 -22.447 -12.668 21.167 1.00 0.00 C ATOM 0 H ILE A 4 -21.197 -11.471 24.602 1.00 0.00 H new ATOM 0 HA ILE A 4 -18.551 -11.883 23.370 1.00 0.00 H new ATOM 0 HB ILE A 4 -19.963 -12.759 21.415 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -22.173 -13.619 23.057 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -22.069 -11.871 23.110 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -20.240 -14.984 22.438 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -18.692 -14.236 22.897 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -20.044 -14.261 24.053 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -23.528 -12.607 21.289 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -22.091 -11.782 20.642 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -22.197 -13.557 20.589 1.00 0.00 H new ATOM 57 N HIS A 5 -18.682 -9.702 22.189 1.00 0.00 N ATOM 58 CA HIS A 5 -18.709 -8.454 21.435 1.00 0.00 C ATOM 59 C HIS A 5 -17.319 -8.106 20.919 1.00 0.00 C ATOM 60 O HIS A 5 -16.328 -8.251 21.636 1.00 0.00 O ATOM 61 CB HIS A 5 -19.245 -7.315 22.305 1.00 0.00 C ATOM 62 CG HIS A 5 -20.200 -6.412 21.587 1.00 0.00 C ATOM 63 ND1 HIS A 5 -21.403 -6.846 21.073 1.00 0.00 N ATOM 64 CD2 HIS A 5 -20.125 -5.092 21.294 1.00 0.00 C ATOM 65 CE1 HIS A 5 -22.027 -5.836 20.496 1.00 0.00 C ATOM 66 NE2 HIS A 5 -21.274 -4.758 20.616 1.00 0.00 N ATOM 0 H HIS A 5 -17.752 -9.990 22.492 1.00 0.00 H new ATOM 0 HA HIS A 5 -19.373 -8.588 20.581 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -19.744 -7.738 23.177 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -18.406 -6.724 22.673 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -19.314 -4.425 21.546 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -22.990 -5.883 20.009 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -21.506 -3.829 20.264 1.00 0.00 H new ATOM 74 N ARG A 6 -17.250 -7.646 19.673 1.00 0.00 N ATOM 75 CA ARG A 6 -15.978 -7.280 19.067 1.00 0.00 C ATOM 76 C ARG A 6 -16.191 -6.571 17.732 1.00 0.00 C ATOM 77 O ARG A 6 -16.894 -7.070 16.854 1.00 0.00 O ATOM 78 CB ARG A 6 -15.109 -8.525 18.863 1.00 0.00 C ATOM 79 CG ARG A 6 -15.728 -9.556 17.930 1.00 0.00 C ATOM 80 CD ARG A 6 -16.089 -10.836 18.665 1.00 0.00 C ATOM 81 NE ARG A 6 -17.417 -11.317 18.296 1.00 0.00 N ATOM 82 CZ ARG A 6 -17.837 -12.562 18.499 1.00 0.00 C ATOM 83 NH1 ARG A 6 -17.039 -13.456 19.064 1.00 0.00 N ATOM 84 NH2 ARG A 6 -19.062 -12.913 18.135 1.00 0.00 N ATOM 0 H ARG A 6 -18.060 -7.519 19.066 1.00 0.00 H new ATOM 0 HA ARG A 6 -15.468 -6.594 19.743 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -14.142 -8.221 18.463 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -14.922 -8.990 19.831 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -16.622 -9.138 17.468 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.029 -9.784 17.125 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.349 -11.604 18.442 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.052 -10.661 19.740 1.00 0.00 H new ATOM 0 HE ARG A 6 -18.061 -10.659 17.856 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -16.095 -13.191 19.346 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -17.368 -14.409 19.217 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.681 -12.229 17.700 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -19.386 -13.868 18.290 1.00 0.00 H new ATOM 98 N MET A 7 -15.576 -5.402 17.586 1.00 0.00 N ATOM 99 CA MET A 7 -15.693 -4.624 16.358 1.00 0.00 C ATOM 100 C MET A 7 -14.318 -4.151 15.891 1.00 0.00 C ATOM 101 O MET A 7 -13.584 -3.511 16.642 1.00 0.00 O ATOM 102 CB MET A 7 -16.621 -3.425 16.574 1.00 0.00 C ATOM 103 CG MET A 7 -16.153 -2.477 17.666 1.00 0.00 C ATOM 104 SD MET A 7 -17.174 -0.994 17.780 1.00 0.00 S ATOM 105 CE MET A 7 -16.646 -0.338 19.360 1.00 0.00 C ATOM 0 H MET A 7 -14.991 -4.972 18.303 1.00 0.00 H new ATOM 0 HA MET A 7 -16.121 -5.262 15.585 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.709 -2.872 15.639 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.618 -3.789 16.824 1.00 0.00 H new ATOM 0 HG2 MET A 7 -16.166 -2.997 18.624 1.00 0.00 H new ATOM 0 HG3 MET A 7 -15.120 -2.189 17.474 1.00 0.00 H new ATOM 0 HE1 MET A 7 -17.190 0.583 19.572 1.00 0.00 H new ATOM 0 HE2 MET A 7 -16.850 -1.068 20.143 1.00 0.00 H new ATOM 0 HE3 MET A 7 -15.577 -0.129 19.328 1.00 0.00 H new ATOM 115 N SER A 8 -13.973 -4.477 14.649 1.00 0.00 N ATOM 116 CA SER A 8 -12.683 -4.086 14.092 1.00 0.00 C ATOM 117 C SER A 8 -12.816 -3.737 12.615 1.00 0.00 C ATOM 118 O SER A 8 -13.550 -4.389 11.875 1.00 0.00 O ATOM 119 CB SER A 8 -11.662 -5.211 14.270 1.00 0.00 C ATOM 120 OG SER A 8 -12.166 -6.439 13.778 1.00 0.00 O ATOM 0 H SER A 8 -14.566 -5.009 14.012 1.00 0.00 H new ATOM 0 HA SER A 8 -12.336 -3.203 14.629 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.741 -4.956 13.746 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.410 -5.314 15.326 1.00 0.00 H new ATOM 0 HG SER A 8 -11.494 -7.142 13.902 1.00 0.00 H new ATOM 126 N ASN A 9 -12.101 -2.699 12.194 1.00 0.00 N ATOM 127 CA ASN A 9 -12.138 -2.261 10.806 1.00 0.00 C ATOM 128 C ASN A 9 -10.795 -2.500 10.127 1.00 0.00 C ATOM 129 O ASN A 9 -9.749 -2.115 10.647 1.00 0.00 O ATOM 130 CB ASN A 9 -12.508 -0.777 10.729 1.00 0.00 C ATOM 131 CG ASN A 9 -13.700 -0.528 9.827 1.00 0.00 C ATOM 132 OD1 ASN A 9 -14.568 0.287 10.136 1.00 0.00 O ATOM 133 ND2 ASN A 9 -13.745 -1.233 8.703 1.00 0.00 N ATOM 0 H ASN A 9 -11.489 -2.146 12.795 1.00 0.00 H new ATOM 0 HA ASN A 9 -12.897 -2.844 10.284 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.729 -0.408 11.730 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -11.653 -0.210 10.362 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -14.522 -1.110 8.054 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -13.002 -1.898 8.488 1.00 0.00 H new ATOM 140 N MET A 10 -10.831 -3.134 8.961 1.00 0.00 N ATOM 141 CA MET A 10 -9.614 -3.418 8.213 1.00 0.00 C ATOM 142 C MET A 10 -9.180 -2.204 7.405 1.00 0.00 C ATOM 143 O MET A 10 -9.933 -1.240 7.263 1.00 0.00 O ATOM 144 CB MET A 10 -9.823 -4.616 7.284 1.00 0.00 C ATOM 145 CG MET A 10 -9.633 -5.958 7.971 1.00 0.00 C ATOM 146 SD MET A 10 -10.200 -7.342 6.966 1.00 0.00 S ATOM 147 CE MET A 10 -8.796 -8.447 7.086 1.00 0.00 C ATOM 0 H MET A 10 -11.688 -3.460 8.514 1.00 0.00 H new ATOM 0 HA MET A 10 -8.827 -3.659 8.928 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.829 -4.570 6.866 1.00 0.00 H new ATOM 0 HB3 MET A 10 -9.127 -4.543 6.448 1.00 0.00 H new ATOM 0 HG2 MET A 10 -8.578 -6.094 8.207 1.00 0.00 H new ATOM 0 HG3 MET A 10 -10.174 -5.956 8.918 1.00 0.00 H new ATOM 0 HE1 MET A 10 -8.996 -9.353 6.513 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.910 -7.954 6.687 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.627 -8.708 8.131 1.00 0.00 H new ATOM 157 N ALA A 11 -7.963 -2.255 6.880 1.00 0.00 N ATOM 158 CA ALA A 11 -7.430 -1.156 6.089 1.00 0.00 C ATOM 159 C ALA A 11 -7.709 -1.361 4.606 1.00 0.00 C ATOM 160 O ALA A 11 -7.206 -2.303 3.993 1.00 0.00 O ATOM 161 CB ALA A 11 -5.938 -1.009 6.330 1.00 0.00 C ATOM 0 H ALA A 11 -7.327 -3.045 6.988 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.930 -0.240 6.403 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.552 -0.183 5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.758 -0.807 7.386 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.431 -1.931 6.045 1.00 0.00 H new ATOM 167 N THR A 12 -8.511 -0.471 4.032 1.00 0.00 N ATOM 168 CA THR A 12 -8.854 -0.552 2.618 1.00 0.00 C ATOM 169 C THR A 12 -8.702 0.808 1.943 1.00 0.00 C ATOM 170 O THR A 12 -9.224 1.815 2.423 1.00 0.00 O ATOM 171 CB THR A 12 -10.284 -1.071 2.441 1.00 0.00 C ATOM 172 OG1 THR A 12 -10.981 -1.053 3.675 1.00 0.00 O ATOM 173 CG2 THR A 12 -10.341 -2.482 1.902 1.00 0.00 C ATOM 0 H THR A 12 -8.936 0.315 4.525 1.00 0.00 H new ATOM 0 HA THR A 12 -8.165 -1.251 2.144 1.00 0.00 H new ATOM 0 HB THR A 12 -10.749 -0.402 1.717 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.893 -1.386 3.541 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.381 -2.791 1.800 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.854 -2.519 0.928 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.829 -3.155 2.590 1.00 0.00 H new ATOM 181 N PHE A 13 -7.980 0.827 0.830 1.00 0.00 N ATOM 182 CA PHE A 13 -7.748 2.057 0.078 1.00 0.00 C ATOM 183 C PHE A 13 -8.644 2.116 -1.158 1.00 0.00 C ATOM 184 O PHE A 13 -8.974 1.087 -1.745 1.00 0.00 O ATOM 185 CB PHE A 13 -6.278 2.133 -0.340 1.00 0.00 C ATOM 186 CG PHE A 13 -5.943 3.315 -1.205 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.054 3.239 -2.583 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.491 4.494 -0.641 1.00 0.00 C ATOM 189 CE1 PHE A 13 -5.725 4.316 -3.380 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.158 5.570 -1.431 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.273 5.484 -2.803 1.00 0.00 C ATOM 0 H PHE A 13 -7.542 -0.000 0.425 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.990 2.906 0.717 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.658 2.166 0.556 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.017 1.220 -0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.403 2.325 -3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.398 4.571 0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.821 4.244 -4.453 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.806 6.484 -0.976 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.010 6.328 -3.423 1.00 0.00 H new ATOM 201 N SER A 14 -9.019 3.328 -1.558 1.00 0.00 N ATOM 202 CA SER A 14 -9.859 3.518 -2.734 1.00 0.00 C ATOM 203 C SER A 14 -9.037 4.087 -3.889 1.00 0.00 C ATOM 204 O SER A 14 -8.415 5.141 -3.756 1.00 0.00 O ATOM 205 CB SER A 14 -11.023 4.457 -2.409 1.00 0.00 C ATOM 206 OG SER A 14 -10.711 5.294 -1.307 1.00 0.00 O ATOM 0 H SER A 14 -8.754 4.192 -1.085 1.00 0.00 H new ATOM 0 HA SER A 14 -10.260 2.549 -3.032 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.255 5.069 -3.281 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.915 3.872 -2.184 1.00 0.00 H new ATOM 0 HG SER A 14 -11.470 5.886 -1.120 1.00 0.00 H new ATOM 212 N LEU A 15 -9.035 3.388 -5.018 1.00 0.00 N ATOM 213 CA LEU A 15 -8.282 3.838 -6.187 1.00 0.00 C ATOM 214 C LEU A 15 -8.915 5.085 -6.797 1.00 0.00 C ATOM 215 O LEU A 15 -8.214 5.985 -7.255 1.00 0.00 O ATOM 216 CB LEU A 15 -8.201 2.722 -7.233 1.00 0.00 C ATOM 217 CG LEU A 15 -6.867 2.618 -7.972 1.00 0.00 C ATOM 218 CD1 LEU A 15 -6.755 1.276 -8.680 1.00 0.00 C ATOM 219 CD2 LEU A 15 -6.710 3.766 -8.963 1.00 0.00 C ATOM 0 H LEU A 15 -9.542 2.513 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.273 4.090 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.401 1.770 -6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.993 2.875 -7.966 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.062 2.689 -7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.799 1.218 -9.201 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.818 0.472 -7.947 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.567 1.175 -9.400 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.754 3.673 -9.479 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.520 3.731 -9.692 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.744 4.715 -8.428 1.00 0.00 H new ATOM 231 N GLY A 16 -10.244 5.131 -6.795 1.00 0.00 N ATOM 232 CA GLY A 16 -10.948 6.274 -7.348 1.00 0.00 C ATOM 233 C GLY A 16 -11.348 6.074 -8.797 1.00 0.00 C ATOM 234 O GLY A 16 -11.490 7.039 -9.548 1.00 0.00 O ATOM 0 H GLY A 16 -10.846 4.397 -6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.841 6.468 -6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.315 7.158 -7.269 1.00 0.00 H new ATOM 238 N LYS A 17 -11.530 4.818 -9.192 1.00 0.00 N ATOM 239 CA LYS A 17 -11.917 4.496 -10.562 1.00 0.00 C ATOM 240 C LYS A 17 -10.876 5.008 -11.555 1.00 0.00 C ATOM 241 O LYS A 17 -11.207 5.702 -12.517 1.00 0.00 O ATOM 242 CB LYS A 17 -13.289 5.099 -10.877 1.00 0.00 C ATOM 243 CG LYS A 17 -14.440 4.377 -10.195 1.00 0.00 C ATOM 244 CD LYS A 17 -15.706 4.422 -11.037 1.00 0.00 C ATOM 245 CE LYS A 17 -16.835 5.130 -10.307 1.00 0.00 C ATOM 246 NZ LYS A 17 -18.171 4.748 -10.840 1.00 0.00 N ATOM 0 H LYS A 17 -11.416 4.007 -8.584 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.975 3.412 -10.656 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.296 6.146 -10.572 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.447 5.080 -11.955 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.161 3.339 -10.011 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.632 4.833 -9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.501 4.935 -11.977 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -16.014 3.407 -11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -16.786 4.890 -9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -16.704 6.208 -10.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -18.912 5.254 -10.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -18.228 5.000 -11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -18.308 3.723 -10.732 1.00 0.00 H new ATOM 260 N HIS A 18 -9.617 4.661 -11.310 1.00 0.00 N ATOM 261 CA HIS A 18 -8.519 5.082 -12.175 1.00 0.00 C ATOM 262 C HIS A 18 -7.808 3.868 -12.771 1.00 0.00 C ATOM 263 O HIS A 18 -8.033 2.737 -12.337 1.00 0.00 O ATOM 264 CB HIS A 18 -7.529 5.936 -11.380 1.00 0.00 C ATOM 265 CG HIS A 18 -7.790 7.408 -11.487 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.061 8.247 -12.302 1.00 0.00 N ATOM 267 CD2 HIS A 18 -8.713 8.189 -10.875 1.00 0.00 C ATOM 268 CE1 HIS A 18 -7.521 9.480 -12.188 1.00 0.00 C ATOM 269 NE2 HIS A 18 -8.523 9.472 -11.329 1.00 0.00 N ATOM 0 H HIS A 18 -9.330 4.087 -10.517 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.927 5.676 -12.993 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.569 5.643 -10.331 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.518 5.728 -11.731 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.458 7.864 -10.164 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -7.142 10.347 -12.709 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -9.068 10.287 -11.048 1.00 0.00 H new ATOM 277 N PRO A 19 -6.934 4.078 -13.772 1.00 0.00 N ATOM 278 CA PRO A 19 -6.195 2.985 -14.412 1.00 0.00 C ATOM 279 C PRO A 19 -5.466 2.120 -13.388 1.00 0.00 C ATOM 280 O PRO A 19 -5.410 0.900 -13.524 1.00 0.00 O ATOM 281 CB PRO A 19 -5.193 3.703 -15.332 1.00 0.00 C ATOM 282 CG PRO A 19 -5.210 5.132 -14.901 1.00 0.00 C ATOM 283 CD PRO A 19 -6.588 5.381 -14.360 1.00 0.00 C ATOM 0 HA PRO A 19 -6.855 2.304 -14.950 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.195 3.276 -15.235 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.481 3.605 -16.379 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.452 5.320 -14.141 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.993 5.795 -15.738 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.595 6.178 -13.616 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.287 5.671 -15.145 1.00 0.00 H new ATOM 291 N HIS A 20 -4.928 2.772 -12.357 1.00 0.00 N ATOM 292 CA HIS A 20 -4.208 2.096 -11.276 1.00 0.00 C ATOM 293 C HIS A 20 -3.467 3.121 -10.421 1.00 0.00 C ATOM 294 O HIS A 20 -3.694 4.323 -10.552 1.00 0.00 O ATOM 295 CB HIS A 20 -3.234 1.038 -11.814 1.00 0.00 C ATOM 296 CG HIS A 20 -2.052 1.612 -12.515 1.00 0.00 C ATOM 297 ND1 HIS A 20 -1.161 2.453 -11.898 1.00 0.00 N ATOM 298 CD2 HIS A 20 -1.612 1.466 -13.786 1.00 0.00 C ATOM 299 CE1 HIS A 20 -0.225 2.805 -12.751 1.00 0.00 C ATOM 300 NE2 HIS A 20 -0.472 2.220 -13.908 1.00 0.00 N ATOM 0 H HIS A 20 -4.979 3.785 -12.247 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.941 1.577 -10.659 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.889 0.420 -10.985 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.768 0.381 -12.500 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.072 0.868 -14.559 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.606 3.462 -12.541 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.091 2.313 -14.753 1.00 0.00 H new ATOM 308 N VAL A 21 -2.584 2.648 -9.549 1.00 0.00 N ATOM 309 CA VAL A 21 -1.822 3.547 -8.683 1.00 0.00 C ATOM 310 C VAL A 21 -0.400 3.050 -8.465 1.00 0.00 C ATOM 311 O VAL A 21 -0.122 1.859 -8.587 1.00 0.00 O ATOM 312 CB VAL A 21 -2.482 3.708 -7.303 1.00 0.00 C ATOM 313 CG1 VAL A 21 -3.854 4.355 -7.424 1.00 0.00 C ATOM 314 CG2 VAL A 21 -2.570 2.361 -6.604 1.00 0.00 C ATOM 0 H VAL A 21 -2.377 1.657 -9.421 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.804 4.508 -9.198 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.862 4.370 -6.698 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.297 4.456 -6.433 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.753 5.340 -7.879 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.496 3.732 -8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.039 2.487 -5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.166 1.676 -7.207 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.568 1.952 -6.475 1.00 0.00 H new ATOM 324 N GLU A 22 0.492 3.970 -8.117 1.00 0.00 N ATOM 325 CA GLU A 22 1.878 3.624 -7.857 1.00 0.00 C ATOM 326 C GLU A 22 2.153 3.604 -6.359 1.00 0.00 C ATOM 327 O GLU A 22 1.488 4.295 -5.590 1.00 0.00 O ATOM 328 CB GLU A 22 2.820 4.610 -8.555 1.00 0.00 C ATOM 329 CG GLU A 22 2.735 6.027 -8.007 1.00 0.00 C ATOM 330 CD GLU A 22 2.495 7.063 -9.089 1.00 0.00 C ATOM 331 OE1 GLU A 22 1.957 6.695 -10.155 1.00 0.00 O ATOM 332 OE2 GLU A 22 2.841 8.243 -8.869 1.00 0.00 O ATOM 0 H GLU A 22 0.277 4.961 -8.009 1.00 0.00 H new ATOM 0 HA GLU A 22 2.061 2.627 -8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.845 4.252 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.590 4.627 -9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.930 6.080 -7.274 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.660 6.265 -7.482 1.00 0.00 H new ATOM 339 N LEU A 23 3.128 2.792 -5.953 1.00 0.00 N ATOM 340 CA LEU A 23 3.494 2.659 -4.542 1.00 0.00 C ATOM 341 C LEU A 23 3.422 3.997 -3.805 1.00 0.00 C ATOM 342 O LEU A 23 2.869 4.077 -2.709 1.00 0.00 O ATOM 343 CB LEU A 23 4.902 2.064 -4.404 1.00 0.00 C ATOM 344 CG LEU A 23 5.889 2.426 -5.523 1.00 0.00 C ATOM 345 CD1 LEU A 23 7.020 3.289 -4.983 1.00 0.00 C ATOM 346 CD2 LEU A 23 6.443 1.164 -6.173 1.00 0.00 C ATOM 0 H LEU A 23 3.682 2.213 -6.584 1.00 0.00 H new ATOM 0 HA LEU A 23 2.770 1.984 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.323 2.391 -3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.815 0.978 -4.358 1.00 0.00 H new ATOM 0 HG LEU A 23 5.354 2.999 -6.281 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.708 3.534 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.609 4.208 -4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.554 2.744 -4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.141 1.438 -6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.961 0.566 -5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.624 0.584 -6.597 1.00 0.00 H new ATOM 358 N CYS A 24 3.982 5.043 -4.405 1.00 0.00 N ATOM 359 CA CYS A 24 3.977 6.367 -3.791 1.00 0.00 C ATOM 360 C CYS A 24 2.556 6.893 -3.600 1.00 0.00 C ATOM 361 O CYS A 24 2.255 7.534 -2.593 1.00 0.00 O ATOM 362 CB CYS A 24 4.781 7.353 -4.644 1.00 0.00 C ATOM 363 SG CYS A 24 5.543 8.695 -3.700 1.00 0.00 S ATOM 0 H CYS A 24 4.444 5.000 -5.313 1.00 0.00 H new ATOM 0 HA CYS A 24 4.440 6.274 -2.809 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.562 6.807 -5.173 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.124 7.783 -5.400 1.00 0.00 H new ATOM 0 HG CYS A 24 6.201 9.474 -4.507 1.00 0.00 H new ATOM 369 N ASP A 25 1.687 6.627 -4.570 1.00 0.00 N ATOM 370 CA ASP A 25 0.302 7.085 -4.499 1.00 0.00 C ATOM 371 C ASP A 25 -0.456 6.371 -3.387 1.00 0.00 C ATOM 372 O ASP A 25 -0.988 7.002 -2.472 1.00 0.00 O ATOM 373 CB ASP A 25 -0.412 6.850 -5.832 1.00 0.00 C ATOM 374 CG ASP A 25 0.104 7.750 -6.938 1.00 0.00 C ATOM 375 OD1 ASP A 25 0.763 8.762 -6.620 1.00 0.00 O ATOM 376 OD2 ASP A 25 -0.152 7.444 -8.122 1.00 0.00 O ATOM 0 H ASP A 25 1.915 6.099 -5.412 1.00 0.00 H new ATOM 0 HA ASP A 25 0.320 8.153 -4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.287 5.809 -6.128 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.481 7.018 -5.702 1.00 0.00 H new ATOM 381 N LEU A 26 -0.507 5.051 -3.484 1.00 0.00 N ATOM 382 CA LEU A 26 -1.205 4.230 -2.504 1.00 0.00 C ATOM 383 C LEU A 26 -0.704 4.491 -1.086 1.00 0.00 C ATOM 384 O LEU A 26 -1.494 4.698 -0.170 1.00 0.00 O ATOM 385 CB LEU A 26 -1.026 2.752 -2.846 1.00 0.00 C ATOM 386 CG LEU A 26 -2.125 1.832 -2.322 1.00 0.00 C ATOM 387 CD1 LEU A 26 -3.264 1.745 -3.321 1.00 0.00 C ATOM 388 CD2 LEU A 26 -1.563 0.452 -2.027 1.00 0.00 C ATOM 0 H LEU A 26 -0.070 4.521 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.261 4.496 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.973 2.649 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.069 2.415 -2.446 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.515 2.249 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.039 1.085 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.681 2.739 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.890 1.349 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.359 -0.193 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.148 0.025 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.778 0.532 -1.275 1.00 0.00 H new ATOM 400 N LEU A 27 0.611 4.463 -0.916 1.00 0.00 N ATOM 401 CA LEU A 27 1.229 4.674 0.390 1.00 0.00 C ATOM 402 C LEU A 27 0.940 6.064 0.945 1.00 0.00 C ATOM 403 O LEU A 27 0.380 6.204 2.032 1.00 0.00 O ATOM 404 CB LEU A 27 2.743 4.475 0.281 1.00 0.00 C ATOM 405 CG LEU A 27 3.227 3.027 0.390 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.381 2.099 -0.476 1.00 0.00 C ATOM 407 CD2 LEU A 27 4.698 2.927 0.006 1.00 0.00 C ATOM 0 H LEU A 27 1.276 4.295 -1.671 1.00 0.00 H new ATOM 0 HA LEU A 27 0.799 3.946 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.077 4.881 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.226 5.061 1.063 1.00 0.00 H new ATOM 0 HG LEU A 27 3.117 2.710 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.747 1.077 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.342 2.145 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.449 2.412 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.026 1.891 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.830 3.268 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.292 3.550 0.675 1.00 0.00 H new ATOM 419 N LYS A 28 1.345 7.087 0.203 1.00 0.00 N ATOM 420 CA LYS A 28 1.153 8.470 0.629 1.00 0.00 C ATOM 421 C LYS A 28 -0.287 8.742 1.054 1.00 0.00 C ATOM 422 O LYS A 28 -0.543 9.135 2.193 1.00 0.00 O ATOM 423 CB LYS A 28 1.554 9.432 -0.488 1.00 0.00 C ATOM 424 CG LYS A 28 1.911 10.822 0.008 1.00 0.00 C ATOM 425 CD LYS A 28 1.905 11.837 -1.123 1.00 0.00 C ATOM 426 CE LYS A 28 3.231 11.848 -1.871 1.00 0.00 C ATOM 427 NZ LYS A 28 3.823 13.213 -1.937 1.00 0.00 N ATOM 0 H LYS A 28 1.810 6.986 -0.699 1.00 0.00 H new ATOM 0 HA LYS A 28 1.793 8.632 1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.406 9.017 -1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.734 9.509 -1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.201 11.128 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.896 10.801 0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.097 11.605 -1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.705 12.830 -0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.931 11.173 -1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.080 11.469 -2.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.724 13.176 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.167 13.852 -2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.991 13.565 -0.973 1.00 0.00 H new ATOM 441 N LEU A 29 -1.224 8.544 0.133 1.00 0.00 N ATOM 442 CA LEU A 29 -2.636 8.785 0.418 1.00 0.00 C ATOM 443 C LEU A 29 -3.108 7.981 1.632 1.00 0.00 C ATOM 444 O LEU A 29 -3.828 8.505 2.483 1.00 0.00 O ATOM 445 CB LEU A 29 -3.496 8.453 -0.802 1.00 0.00 C ATOM 446 CG LEU A 29 -3.816 9.635 -1.720 1.00 0.00 C ATOM 447 CD1 LEU A 29 -4.730 10.622 -1.011 1.00 0.00 C ATOM 448 CD2 LEU A 29 -2.539 10.322 -2.182 1.00 0.00 C ATOM 0 H LEU A 29 -1.033 8.218 -0.815 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.748 9.844 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.986 7.688 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.434 8.018 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.333 9.256 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.949 11.457 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.660 10.124 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.237 10.993 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.791 11.159 -2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.989 10.689 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.920 9.610 -2.729 1.00 0.00 H new ATOM 460 N GLU A 30 -2.707 6.711 1.714 1.00 0.00 N ATOM 461 CA GLU A 30 -3.110 5.865 2.839 1.00 0.00 C ATOM 462 C GLU A 30 -2.488 6.354 4.142 1.00 0.00 C ATOM 463 O GLU A 30 -2.924 5.967 5.227 1.00 0.00 O ATOM 464 CB GLU A 30 -2.696 4.409 2.612 1.00 0.00 C ATOM 465 CG GLU A 30 -3.850 3.471 2.294 1.00 0.00 C ATOM 466 CD GLU A 30 -4.879 3.411 3.406 1.00 0.00 C ATOM 467 OE1 GLU A 30 -5.602 4.411 3.604 1.00 0.00 O ATOM 468 OE2 GLU A 30 -4.961 2.365 4.082 1.00 0.00 O ATOM 0 H GLU A 30 -2.112 6.251 1.025 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.196 5.925 2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.977 4.372 1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.184 4.046 3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.334 3.797 1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.459 2.470 2.112 1.00 0.00 H new ATOM 475 N GLY A 31 -1.472 7.206 4.039 1.00 0.00 N ATOM 476 CA GLY A 31 -0.824 7.722 5.229 1.00 0.00 C ATOM 477 C GLY A 31 0.412 6.929 5.627 1.00 0.00 C ATOM 478 O GLY A 31 0.813 6.953 6.791 1.00 0.00 O ATOM 0 H GLY A 31 -1.088 7.546 3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.543 8.762 5.061 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.535 7.714 6.055 1.00 0.00 H new ATOM 482 N TRP A 32 1.028 6.238 4.667 1.00 0.00 N ATOM 483 CA TRP A 32 2.232 5.456 4.950 1.00 0.00 C ATOM 484 C TRP A 32 3.428 6.380 5.120 1.00 0.00 C ATOM 485 O TRP A 32 4.004 6.485 6.203 1.00 0.00 O ATOM 486 CB TRP A 32 2.530 4.457 3.823 1.00 0.00 C ATOM 487 CG TRP A 32 1.461 3.429 3.616 1.00 0.00 C ATOM 488 CD1 TRP A 32 0.116 3.634 3.679 1.00 0.00 C ATOM 489 CD2 TRP A 32 1.640 2.036 3.301 1.00 0.00 C ATOM 490 NE1 TRP A 32 -0.551 2.466 3.422 1.00 0.00 N ATOM 491 CE2 TRP A 32 0.356 1.474 3.193 1.00 0.00 C ATOM 492 CE3 TRP A 32 2.752 1.203 3.101 1.00 0.00 C ATOM 493 CZ2 TRP A 32 0.149 0.135 2.894 1.00 0.00 C ATOM 494 CZ3 TRP A 32 2.535 -0.130 2.802 1.00 0.00 C ATOM 495 CH2 TRP A 32 1.245 -0.649 2.703 1.00 0.00 C ATOM 0 H TRP A 32 0.717 6.204 3.696 1.00 0.00 H new ATOM 0 HA TRP A 32 2.054 4.901 5.871 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.674 5.007 2.893 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.469 3.949 4.042 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.356 4.580 3.900 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.565 2.356 3.405 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.756 1.594 3.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.848 -0.272 2.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.381 -0.781 2.642 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.113 -1.695 2.470 1.00 0.00 H new ATOM 506 N SER A 33 3.797 7.042 4.029 1.00 0.00 N ATOM 507 CA SER A 33 4.928 7.959 4.027 1.00 0.00 C ATOM 508 C SER A 33 4.460 9.409 3.972 1.00 0.00 C ATOM 509 O SER A 33 3.528 9.743 3.242 1.00 0.00 O ATOM 510 CB SER A 33 5.836 7.657 2.835 1.00 0.00 C ATOM 511 OG SER A 33 7.168 8.076 3.080 1.00 0.00 O ATOM 0 H SER A 33 3.324 6.959 3.129 1.00 0.00 H new ATOM 0 HA SER A 33 5.485 7.818 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.822 6.587 2.627 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.452 8.159 1.947 1.00 0.00 H new ATOM 0 HG SER A 33 7.687 8.017 2.251 1.00 0.00 H new ATOM 517 N GLU A 34 5.121 10.268 4.741 1.00 0.00 N ATOM 518 CA GLU A 34 4.777 11.684 4.771 1.00 0.00 C ATOM 519 C GLU A 34 5.422 12.417 3.600 1.00 0.00 C ATOM 520 O GLU A 34 4.854 13.364 3.057 1.00 0.00 O ATOM 521 CB GLU A 34 5.231 12.316 6.089 1.00 0.00 C ATOM 522 CG GLU A 34 4.624 11.665 7.321 1.00 0.00 C ATOM 523 CD GLU A 34 5.362 12.029 8.594 1.00 0.00 C ATOM 524 OE1 GLU A 34 6.590 12.247 8.526 1.00 0.00 O ATOM 525 OE2 GLU A 34 4.714 12.097 9.659 1.00 0.00 O ATOM 0 H GLU A 34 5.897 10.008 5.351 1.00 0.00 H new ATOM 0 HA GLU A 34 3.694 11.772 4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.317 12.256 6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.970 13.374 6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.581 11.967 7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.632 10.582 7.197 1.00 0.00 H new ATOM 532 N SER A 35 6.610 11.965 3.212 1.00 0.00 N ATOM 533 CA SER A 35 7.333 12.571 2.099 1.00 0.00 C ATOM 534 C SER A 35 7.266 11.685 0.857 1.00 0.00 C ATOM 535 O SER A 35 7.345 12.174 -0.270 1.00 0.00 O ATOM 536 CB SER A 35 8.791 12.826 2.491 1.00 0.00 C ATOM 537 OG SER A 35 9.039 12.410 3.822 1.00 0.00 O ATOM 0 H SER A 35 7.093 11.181 3.652 1.00 0.00 H new ATOM 0 HA SER A 35 6.859 13.524 1.863 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.453 12.292 1.810 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.018 13.887 2.390 1.00 0.00 H new ATOM 0 HG SER A 35 9.572 13.091 4.284 1.00 0.00 H new ATOM 543 N GLY A 36 7.122 10.379 1.071 1.00 0.00 N ATOM 544 CA GLY A 36 7.051 9.447 -0.041 1.00 0.00 C ATOM 545 C GLY A 36 8.417 9.093 -0.602 1.00 0.00 C ATOM 546 O GLY A 36 8.521 8.328 -1.559 1.00 0.00 O ATOM 0 H GLY A 36 7.053 9.950 1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.551 8.536 0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.439 9.879 -0.833 1.00 0.00 H new ATOM 550 N ALA A 37 9.464 9.655 -0.007 1.00 0.00 N ATOM 551 CA ALA A 37 10.830 9.399 -0.454 1.00 0.00 C ATOM 552 C ALA A 37 11.822 9.468 0.709 1.00 0.00 C ATOM 553 O ALA A 37 12.962 9.018 0.590 1.00 0.00 O ATOM 554 CB ALA A 37 11.217 10.392 -1.540 1.00 0.00 C ATOM 0 H ALA A 37 9.393 10.292 0.787 1.00 0.00 H new ATOM 0 HA ALA A 37 10.868 8.389 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.238 10.194 -1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.538 10.289 -2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.153 11.406 -1.145 1.00 0.00 H new ATOM 560 N GLN A 38 11.386 10.039 1.829 1.00 0.00 N ATOM 561 CA GLN A 38 12.229 10.176 3.009 1.00 0.00 C ATOM 562 C GLN A 38 12.808 8.831 3.438 1.00 0.00 C ATOM 563 O GLN A 38 13.980 8.545 3.187 1.00 0.00 O ATOM 564 CB GLN A 38 11.413 10.795 4.145 1.00 0.00 C ATOM 565 CG GLN A 38 12.168 10.930 5.455 1.00 0.00 C ATOM 566 CD GLN A 38 12.942 12.231 5.548 1.00 0.00 C ATOM 567 OE1 GLN A 38 12.602 13.111 6.339 1.00 0.00 O ATOM 568 NE2 GLN A 38 13.985 12.361 4.738 1.00 0.00 N ATOM 0 H GLN A 38 10.445 10.417 1.942 1.00 0.00 H new ATOM 0 HA GLN A 38 13.067 10.829 2.765 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.069 11.782 3.834 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.525 10.186 4.312 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.463 10.870 6.285 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.857 10.092 5.561 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.231 11.606 4.098 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.541 13.216 4.755 1.00 0.00 H new ATOM 577 N ALA A 39 11.988 8.011 4.086 1.00 0.00 N ATOM 578 CA ALA A 39 12.426 6.698 4.552 1.00 0.00 C ATOM 579 C ALA A 39 12.426 5.663 3.427 1.00 0.00 C ATOM 580 O ALA A 39 12.488 4.461 3.685 1.00 0.00 O ATOM 581 CB ALA A 39 11.535 6.225 5.689 1.00 0.00 C ATOM 0 H ALA A 39 11.016 8.231 4.301 1.00 0.00 H new ATOM 0 HA ALA A 39 13.451 6.801 4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.869 5.245 6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.591 6.935 6.514 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.505 6.155 5.339 1.00 0.00 H new ATOM 587 N LYS A 40 12.347 6.126 2.180 1.00 0.00 N ATOM 588 CA LYS A 40 12.332 5.223 1.037 1.00 0.00 C ATOM 589 C LYS A 40 11.113 4.308 1.098 1.00 0.00 C ATOM 590 O LYS A 40 11.126 3.198 0.564 1.00 0.00 O ATOM 591 CB LYS A 40 13.616 4.393 1.002 1.00 0.00 C ATOM 592 CG LYS A 40 14.874 5.215 1.232 1.00 0.00 C ATOM 593 CD LYS A 40 15.980 4.825 0.265 1.00 0.00 C ATOM 594 CE LYS A 40 16.772 6.040 -0.197 1.00 0.00 C ATOM 595 NZ LYS A 40 17.567 5.751 -1.422 1.00 0.00 N ATOM 0 H LYS A 40 12.293 7.116 1.939 1.00 0.00 H new ATOM 0 HA LYS A 40 12.274 5.817 0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.557 3.614 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.690 3.892 0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.644 6.274 1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.219 5.075 2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 40 16.651 4.114 0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.548 4.321 -0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.088 6.866 -0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.440 6.363 0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.092 6.603 -1.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.237 4.980 -1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.928 5.467 -2.192 1.00 0.00 H new ATOM 609 N ILE A 41 10.061 4.789 1.755 1.00 0.00 N ATOM 610 CA ILE A 41 8.823 4.032 1.903 1.00 0.00 C ATOM 611 C ILE A 41 8.225 3.655 0.547 1.00 0.00 C ATOM 612 O ILE A 41 7.447 2.705 0.444 1.00 0.00 O ATOM 613 CB ILE A 41 7.790 4.835 2.723 1.00 0.00 C ATOM 614 CG1 ILE A 41 8.367 5.135 4.115 1.00 0.00 C ATOM 615 CG2 ILE A 41 6.464 4.083 2.808 1.00 0.00 C ATOM 616 CD1 ILE A 41 7.358 5.651 5.117 1.00 0.00 C ATOM 0 H ILE A 41 10.043 5.708 2.197 1.00 0.00 H new ATOM 0 HA ILE A 41 9.068 3.112 2.434 1.00 0.00 H new ATOM 0 HB ILE A 41 7.586 5.782 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.819 4.225 4.510 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.166 5.870 4.012 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.751 4.667 3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.070 3.926 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.623 3.119 3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.853 5.835 6.070 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.922 6.580 4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.570 4.910 5.255 1.00 0.00 H new ATOM 628 N ALA A 42 8.594 4.401 -0.485 1.00 0.00 N ATOM 629 CA ALA A 42 8.094 4.143 -1.829 1.00 0.00 C ATOM 630 C ALA A 42 8.767 2.914 -2.440 1.00 0.00 C ATOM 631 O ALA A 42 8.180 1.826 -2.483 1.00 0.00 O ATOM 632 CB ALA A 42 8.295 5.369 -2.711 1.00 0.00 C ATOM 0 H ALA A 42 9.238 5.190 -0.418 1.00 0.00 H new ATOM 0 HA ALA A 42 7.026 3.936 -1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.917 5.163 -3.712 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.755 6.215 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.357 5.607 -2.766 1.00 0.00 H new ATOM 638 N ILE A 43 10.001 3.084 -2.906 1.00 0.00 N ATOM 639 CA ILE A 43 10.744 1.984 -3.506 1.00 0.00 C ATOM 640 C ILE A 43 10.763 0.773 -2.577 1.00 0.00 C ATOM 641 O ILE A 43 10.686 -0.369 -3.031 1.00 0.00 O ATOM 642 CB ILE A 43 12.195 2.390 -3.842 1.00 0.00 C ATOM 643 CG1 ILE A 43 12.212 3.662 -4.695 1.00 0.00 C ATOM 644 CG2 ILE A 43 12.908 1.256 -4.564 1.00 0.00 C ATOM 645 CD1 ILE A 43 11.442 3.534 -5.992 1.00 0.00 C ATOM 0 H ILE A 43 10.505 3.970 -2.879 1.00 0.00 H new ATOM 0 HA ILE A 43 10.233 1.724 -4.433 1.00 0.00 H new ATOM 0 HB ILE A 43 12.722 2.594 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.794 4.484 -4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.246 3.924 -4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 43 13.930 1.557 -4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.925 0.372 -3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.380 1.025 -5.489 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.498 4.473 -6.543 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.873 2.734 -6.594 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.399 3.303 -5.775 1.00 0.00 H new ATOM 657 N ALA A 44 10.855 1.033 -1.275 1.00 0.00 N ATOM 658 CA ALA A 44 10.871 -0.039 -0.290 1.00 0.00 C ATOM 659 C ALA A 44 9.596 -0.864 -0.385 1.00 0.00 C ATOM 660 O ALA A 44 9.632 -2.021 -0.805 1.00 0.00 O ATOM 661 CB ALA A 44 11.048 0.517 1.114 1.00 0.00 C ATOM 0 H ALA A 44 10.919 1.972 -0.882 1.00 0.00 H new ATOM 0 HA ALA A 44 11.720 -0.688 -0.504 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.057 -0.303 1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 44 11.990 1.061 1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.224 1.192 1.345 1.00 0.00 H new ATOM 667 N GLU A 45 8.469 -0.261 0.007 1.00 0.00 N ATOM 668 CA GLU A 45 7.173 -0.941 -0.037 1.00 0.00 C ATOM 669 C GLU A 45 7.098 -1.889 -1.229 1.00 0.00 C ATOM 670 O GLU A 45 6.621 -3.017 -1.110 1.00 0.00 O ATOM 671 CB GLU A 45 6.034 0.075 -0.112 1.00 0.00 C ATOM 672 CG GLU A 45 4.657 -0.567 -0.130 1.00 0.00 C ATOM 673 CD GLU A 45 4.177 -0.877 -1.534 1.00 0.00 C ATOM 674 OE1 GLU A 45 3.894 0.078 -2.289 1.00 0.00 O ATOM 675 OE2 GLU A 45 4.086 -2.074 -1.880 1.00 0.00 O ATOM 0 H GLU A 45 8.429 0.696 0.358 1.00 0.00 H new ATOM 0 HA GLU A 45 7.069 -1.522 0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.102 0.750 0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.156 0.682 -1.009 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.682 -1.488 0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.943 0.099 0.355 1.00 0.00 H new ATOM 682 N GLY A 46 7.598 -1.431 -2.374 1.00 0.00 N ATOM 683 CA GLY A 46 7.600 -2.273 -3.556 1.00 0.00 C ATOM 684 C GLY A 46 8.380 -3.551 -3.317 1.00 0.00 C ATOM 685 O GLY A 46 7.797 -4.622 -3.143 1.00 0.00 O ATOM 0 H GLY A 46 7.998 -0.502 -2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.575 -2.516 -3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.037 -1.728 -4.393 1.00 0.00 H new ATOM 689 N GLN A 47 9.707 -3.433 -3.313 1.00 0.00 N ATOM 690 CA GLN A 47 10.597 -4.577 -3.097 1.00 0.00 C ATOM 691 C GLN A 47 10.198 -5.419 -1.875 1.00 0.00 C ATOM 692 O GLN A 47 10.746 -6.500 -1.667 1.00 0.00 O ATOM 693 CB GLN A 47 12.045 -4.099 -2.948 1.00 0.00 C ATOM 694 CG GLN A 47 12.245 -3.062 -1.854 1.00 0.00 C ATOM 695 CD GLN A 47 13.710 -2.829 -1.539 1.00 0.00 C ATOM 696 OE1 GLN A 47 14.501 -3.771 -1.484 1.00 0.00 O ATOM 697 NE2 GLN A 47 14.082 -1.571 -1.333 1.00 0.00 N ATOM 0 H GLN A 47 10.195 -2.549 -3.458 1.00 0.00 H new ATOM 0 HA GLN A 47 10.505 -5.218 -3.974 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.681 -4.959 -2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.378 -3.679 -3.897 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.788 -2.121 -2.161 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.729 -3.387 -0.950 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.394 -0.820 -1.388 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.056 -1.356 -1.120 1.00 0.00 H new ATOM 706 N VAL A 48 9.256 -4.930 -1.070 1.00 0.00 N ATOM 707 CA VAL A 48 8.827 -5.668 0.111 1.00 0.00 C ATOM 708 C VAL A 48 7.934 -6.852 -0.271 1.00 0.00 C ATOM 709 O VAL A 48 8.449 -7.912 -0.625 1.00 0.00 O ATOM 710 CB VAL A 48 8.103 -4.765 1.128 1.00 0.00 C ATOM 711 CG1 VAL A 48 7.661 -5.577 2.339 1.00 0.00 C ATOM 712 CG2 VAL A 48 8.998 -3.609 1.548 1.00 0.00 C ATOM 0 H VAL A 48 8.782 -4.038 -1.213 1.00 0.00 H new ATOM 0 HA VAL A 48 9.731 -6.048 0.587 1.00 0.00 H new ATOM 0 HB VAL A 48 7.214 -4.350 0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.151 -4.925 3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.981 -6.367 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.534 -6.021 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.470 -2.982 2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.906 -4.000 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.260 -3.015 0.672 1.00 0.00 H new ATOM 722 N LYS A 49 6.606 -6.700 -0.202 1.00 0.00 N ATOM 723 CA LYS A 49 5.717 -7.811 -0.548 1.00 0.00 C ATOM 724 C LYS A 49 4.283 -7.346 -0.811 1.00 0.00 C ATOM 725 O LYS A 49 3.655 -6.730 0.050 1.00 0.00 O ATOM 726 CB LYS A 49 5.709 -8.843 0.587 1.00 0.00 C ATOM 727 CG LYS A 49 6.631 -10.035 0.362 1.00 0.00 C ATOM 728 CD LYS A 49 6.130 -10.934 -0.755 1.00 0.00 C ATOM 729 CE LYS A 49 6.567 -12.379 -0.548 1.00 0.00 C ATOM 730 NZ LYS A 49 7.469 -12.849 -1.636 1.00 0.00 N ATOM 0 H LYS A 49 6.134 -5.842 0.083 1.00 0.00 H new ATOM 0 HA LYS A 49 6.100 -8.256 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.996 -8.347 1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.691 -9.208 0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.632 -9.679 0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.711 -10.611 1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.042 -10.885 -0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.507 -10.572 -1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.077 -12.470 0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.687 -13.021 -0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.837 -13.792 -1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.939 -12.899 -2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.262 -12.184 -1.741 1.00 0.00 H new ATOM 744 N VAL A 50 3.752 -7.680 -1.989 1.00 0.00 N ATOM 745 CA VAL A 50 2.379 -7.328 -2.327 1.00 0.00 C ATOM 746 C VAL A 50 1.556 -8.598 -2.525 1.00 0.00 C ATOM 747 O VAL A 50 2.099 -9.638 -2.889 1.00 0.00 O ATOM 748 CB VAL A 50 2.301 -6.471 -3.606 1.00 0.00 C ATOM 749 CG1 VAL A 50 0.879 -5.988 -3.842 1.00 0.00 C ATOM 750 CG2 VAL A 50 3.263 -5.296 -3.527 1.00 0.00 C ATOM 0 H VAL A 50 4.251 -8.190 -2.718 1.00 0.00 H new ATOM 0 HA VAL A 50 1.979 -6.740 -1.501 1.00 0.00 H new ATOM 0 HB VAL A 50 2.595 -7.093 -4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.845 -5.385 -4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.217 -6.847 -3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.554 -5.386 -2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.191 -4.705 -4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.007 -4.673 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.282 -5.667 -3.414 1.00 0.00 H new ATOM 760 N ASP A 51 0.251 -8.520 -2.267 1.00 0.00 N ATOM 761 CA ASP A 51 -0.627 -9.683 -2.409 1.00 0.00 C ATOM 762 C ASP A 51 -0.336 -10.431 -3.708 1.00 0.00 C ATOM 763 O ASP A 51 -0.775 -10.026 -4.784 1.00 0.00 O ATOM 764 CB ASP A 51 -2.091 -9.245 -2.381 1.00 0.00 C ATOM 765 CG ASP A 51 -2.998 -10.287 -1.757 1.00 0.00 C ATOM 766 OD1 ASP A 51 -2.990 -10.413 -0.514 1.00 0.00 O ATOM 767 OD2 ASP A 51 -3.719 -10.974 -2.509 1.00 0.00 O ATOM 0 H ASP A 51 -0.220 -7.669 -1.960 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.436 -10.355 -1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.177 -8.313 -1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.425 -9.040 -3.398 1.00 0.00 H new ATOM 772 N GLY A 52 0.420 -11.521 -3.598 1.00 0.00 N ATOM 773 CA GLY A 52 0.770 -12.302 -4.771 1.00 0.00 C ATOM 774 C GLY A 52 1.545 -11.488 -5.787 1.00 0.00 C ATOM 775 O GLY A 52 1.530 -11.791 -6.979 1.00 0.00 O ATOM 0 H GLY A 52 0.796 -11.876 -2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.365 -13.164 -4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.138 -12.688 -5.233 1.00 0.00 H new ATOM 779 N ALA A 53 2.219 -10.443 -5.312 1.00 0.00 N ATOM 780 CA ALA A 53 2.997 -9.577 -6.190 1.00 0.00 C ATOM 781 C ALA A 53 4.257 -9.044 -5.507 1.00 0.00 C ATOM 782 O ALA A 53 4.286 -7.913 -5.023 1.00 0.00 O ATOM 783 CB ALA A 53 2.138 -8.422 -6.682 1.00 0.00 C ATOM 0 H ALA A 53 2.241 -10.177 -4.327 1.00 0.00 H new ATOM 0 HA ALA A 53 3.318 -10.179 -7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.729 -7.782 -7.337 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.283 -8.813 -7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.785 -7.842 -5.829 1.00 0.00 H new ATOM 789 N VAL A 54 5.301 -9.862 -5.461 1.00 0.00 N ATOM 790 CA VAL A 54 6.553 -9.450 -4.840 1.00 0.00 C ATOM 791 C VAL A 54 7.460 -8.771 -5.867 1.00 0.00 C ATOM 792 O VAL A 54 8.386 -9.385 -6.396 1.00 0.00 O ATOM 793 CB VAL A 54 7.286 -10.653 -4.217 1.00 0.00 C ATOM 794 CG1 VAL A 54 7.612 -11.699 -5.275 1.00 0.00 C ATOM 795 CG2 VAL A 54 8.545 -10.199 -3.495 1.00 0.00 C ATOM 0 H VAL A 54 5.306 -10.808 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 54 6.313 -8.741 -4.047 1.00 0.00 H new ATOM 0 HB VAL A 54 6.622 -11.113 -3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.129 -12.538 -4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.689 -12.052 -5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.252 -11.257 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.048 -11.064 -3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.213 -9.707 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.278 -9.500 -2.702 1.00 0.00 H new ATOM 805 N GLU A 55 7.177 -7.501 -6.159 1.00 0.00 N ATOM 806 CA GLU A 55 7.955 -6.746 -7.138 1.00 0.00 C ATOM 807 C GLU A 55 8.740 -5.609 -6.481 1.00 0.00 C ATOM 808 O GLU A 55 8.784 -5.499 -5.257 1.00 0.00 O ATOM 809 CB GLU A 55 7.028 -6.188 -8.221 1.00 0.00 C ATOM 810 CG GLU A 55 7.004 -7.024 -9.491 1.00 0.00 C ATOM 811 CD GLU A 55 6.652 -6.209 -10.720 1.00 0.00 C ATOM 812 OE1 GLU A 55 7.073 -5.035 -10.794 1.00 0.00 O ATOM 813 OE2 GLU A 55 5.957 -6.746 -11.609 1.00 0.00 O ATOM 0 H GLU A 55 6.415 -6.975 -5.731 1.00 0.00 H new ATOM 0 HA GLU A 55 8.676 -7.427 -7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.016 -6.120 -7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.342 -5.174 -8.469 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.980 -7.488 -9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.281 -7.832 -9.376 1.00 0.00 H new ATOM 820 N THR A 56 9.363 -4.770 -7.311 1.00 0.00 N ATOM 821 CA THR A 56 10.156 -3.645 -6.815 1.00 0.00 C ATOM 822 C THR A 56 10.322 -2.562 -7.882 1.00 0.00 C ATOM 823 O THR A 56 11.409 -2.013 -8.054 1.00 0.00 O ATOM 824 CB THR A 56 11.535 -4.134 -6.362 1.00 0.00 C ATOM 825 OG1 THR A 56 12.383 -3.042 -6.052 1.00 0.00 O ATOM 826 CG2 THR A 56 12.240 -4.979 -7.403 1.00 0.00 C ATOM 0 H THR A 56 9.334 -4.849 -8.328 1.00 0.00 H new ATOM 0 HA THR A 56 9.623 -3.211 -5.969 1.00 0.00 H new ATOM 0 HB THR A 56 11.346 -4.747 -5.481 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.549 -2.517 -6.862 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.211 -5.293 -7.020 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.636 -5.858 -7.627 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.381 -4.394 -8.312 1.00 0.00 H new ATOM 834 N ARG A 57 9.244 -2.253 -8.599 1.00 0.00 N ATOM 835 CA ARG A 57 9.295 -1.231 -9.643 1.00 0.00 C ATOM 836 C ARG A 57 8.917 0.139 -9.086 1.00 0.00 C ATOM 837 O ARG A 57 8.500 0.258 -7.935 1.00 0.00 O ATOM 838 CB ARG A 57 8.361 -1.602 -10.801 1.00 0.00 C ATOM 839 CG ARG A 57 9.076 -1.733 -12.137 1.00 0.00 C ATOM 840 CD ARG A 57 8.960 -0.466 -12.972 1.00 0.00 C ATOM 841 NE ARG A 57 10.267 0.009 -13.423 1.00 0.00 N ATOM 842 CZ ARG A 57 10.474 1.192 -13.998 1.00 0.00 C ATOM 843 NH1 ARG A 57 9.465 2.033 -14.187 1.00 0.00 N ATOM 844 NH2 ARG A 57 11.695 1.535 -14.384 1.00 0.00 N ATOM 0 H ARG A 57 8.331 -2.691 -8.478 1.00 0.00 H new ATOM 0 HA ARG A 57 10.318 -1.181 -10.015 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.864 -2.544 -10.569 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.582 -0.844 -10.887 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.128 -1.958 -11.964 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.657 -2.573 -12.692 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.325 -0.658 -13.837 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.473 0.313 -12.385 1.00 0.00 H new ATOM 0 HE ARG A 57 11.071 -0.604 -13.289 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.524 1.775 -13.891 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.631 2.938 -14.628 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.474 0.893 -14.240 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.855 2.441 -14.825 1.00 0.00 H new ATOM 858 N LYS A 58 9.072 1.172 -9.912 1.00 0.00 N ATOM 859 CA LYS A 58 8.753 2.537 -9.506 1.00 0.00 C ATOM 860 C LYS A 58 7.245 2.762 -9.480 1.00 0.00 C ATOM 861 O LYS A 58 6.685 3.162 -8.458 1.00 0.00 O ATOM 862 CB LYS A 58 9.406 3.537 -10.460 1.00 0.00 C ATOM 863 CG LYS A 58 10.920 3.413 -10.528 1.00 0.00 C ATOM 864 CD LYS A 58 11.589 4.125 -9.363 1.00 0.00 C ATOM 865 CE LYS A 58 12.452 5.282 -9.837 1.00 0.00 C ATOM 866 NZ LYS A 58 13.686 4.809 -10.523 1.00 0.00 N ATOM 0 H LYS A 58 9.417 1.088 -10.868 1.00 0.00 H new ATOM 0 HA LYS A 58 9.143 2.689 -8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.993 3.397 -11.459 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.146 4.548 -10.147 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.201 2.360 -10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.279 3.833 -11.467 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.828 4.495 -8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.203 3.417 -8.807 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.876 5.910 -10.517 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.726 5.904 -8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.248 5.628 -10.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.248 4.231 -9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.425 4.237 -11.351 1.00 0.00 H new ATOM 880 N ARG A 59 6.593 2.501 -10.607 1.00 0.00 N ATOM 881 CA ARG A 59 5.149 2.668 -10.713 1.00 0.00 C ATOM 882 C ARG A 59 4.456 1.315 -10.583 1.00 0.00 C ATOM 883 O ARG A 59 4.959 0.305 -11.075 1.00 0.00 O ATOM 884 CB ARG A 59 4.783 3.337 -12.040 1.00 0.00 C ATOM 885 CG ARG A 59 5.134 4.816 -12.084 1.00 0.00 C ATOM 886 CD ARG A 59 4.635 5.476 -13.359 1.00 0.00 C ATOM 887 NE ARG A 59 5.722 5.758 -14.296 1.00 0.00 N ATOM 888 CZ ARG A 59 5.627 6.624 -15.304 1.00 0.00 C ATOM 889 NH1 ARG A 59 4.499 7.293 -15.508 1.00 0.00 N ATOM 890 NH2 ARG A 59 6.662 6.822 -16.110 1.00 0.00 N ATOM 0 H ARG A 59 7.043 2.172 -11.462 1.00 0.00 H new ATOM 0 HA ARG A 59 4.809 3.313 -9.903 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.298 2.824 -12.852 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.714 3.219 -12.216 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.699 5.319 -11.220 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.215 4.936 -12.012 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.902 4.827 -13.839 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.123 6.405 -13.109 1.00 0.00 H new ATOM 0 HE ARG A 59 6.605 5.263 -14.170 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.700 7.145 -14.892 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.431 7.955 -16.281 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.532 6.311 -15.958 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.588 7.485 -16.881 1.00 0.00 H new ATOM 904 N CYS A 60 3.316 1.296 -9.904 1.00 0.00 N ATOM 905 CA CYS A 60 2.578 0.058 -9.696 1.00 0.00 C ATOM 906 C CYS A 60 1.324 0.008 -10.562 1.00 0.00 C ATOM 907 O CYS A 60 0.548 0.961 -10.612 1.00 0.00 O ATOM 908 CB CYS A 60 2.206 -0.082 -8.217 1.00 0.00 C ATOM 909 SG CYS A 60 2.888 -1.555 -7.420 1.00 0.00 S ATOM 0 H CYS A 60 2.884 2.122 -9.489 1.00 0.00 H new ATOM 0 HA CYS A 60 3.218 -0.774 -9.988 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.553 0.801 -7.681 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.120 -0.103 -8.127 1.00 0.00 H new ATOM 0 HG CYS A 60 2.521 -1.583 -6.173 1.00 0.00 H new ATOM 915 N LYS A 61 1.136 -1.111 -11.248 1.00 0.00 N ATOM 916 CA LYS A 61 -0.020 -1.293 -12.113 1.00 0.00 C ATOM 917 C LYS A 61 -0.970 -2.324 -11.514 1.00 0.00 C ATOM 918 O LYS A 61 -1.045 -3.460 -11.982 1.00 0.00 O ATOM 919 CB LYS A 61 0.430 -1.728 -13.508 1.00 0.00 C ATOM 920 CG LYS A 61 0.988 -0.591 -14.350 1.00 0.00 C ATOM 921 CD LYS A 61 2.394 -0.895 -14.841 1.00 0.00 C ATOM 922 CE LYS A 61 3.446 -0.186 -14.001 1.00 0.00 C ATOM 923 NZ LYS A 61 3.869 1.105 -14.611 1.00 0.00 N ATOM 0 H LYS A 61 1.772 -1.908 -11.222 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.549 -0.344 -12.198 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.190 -2.503 -13.410 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.416 -2.175 -14.031 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.334 -0.415 -15.204 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.998 0.327 -13.762 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.567 -1.971 -14.809 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.491 -0.587 -15.882 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.049 -0.003 -13.002 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.315 -0.834 -13.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.846 1.320 -14.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.818 1.033 -15.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.239 1.866 -14.286 1.00 0.00 H new ATOM 937 N ILE A 62 -1.692 -1.915 -10.476 1.00 0.00 N ATOM 938 CA ILE A 62 -2.639 -2.799 -9.805 1.00 0.00 C ATOM 939 C ILE A 62 -3.967 -2.095 -9.556 1.00 0.00 C ATOM 940 O ILE A 62 -4.007 -0.901 -9.267 1.00 0.00 O ATOM 941 CB ILE A 62 -2.080 -3.311 -8.462 1.00 0.00 C ATOM 942 CG1 ILE A 62 -0.707 -3.952 -8.665 1.00 0.00 C ATOM 943 CG2 ILE A 62 -3.041 -4.310 -7.825 1.00 0.00 C ATOM 944 CD1 ILE A 62 0.198 -3.833 -7.458 1.00 0.00 C ATOM 0 H ILE A 62 -1.639 -0.976 -10.081 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.801 -3.649 -10.468 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.972 -2.460 -7.790 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.839 -5.006 -8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.220 -3.486 -9.522 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.628 -4.659 -6.879 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.002 -3.827 -7.646 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.181 -5.158 -8.495 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.155 -4.309 -7.672 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.360 -2.780 -7.227 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.268 -4.324 -6.604 1.00 0.00 H new ATOM 956 N VAL A 63 -5.050 -2.854 -9.669 1.00 0.00 N ATOM 957 CA VAL A 63 -6.387 -2.325 -9.452 1.00 0.00 C ATOM 958 C VAL A 63 -7.288 -3.398 -8.849 1.00 0.00 C ATOM 959 O VAL A 63 -6.878 -4.550 -8.706 1.00 0.00 O ATOM 960 CB VAL A 63 -7.022 -1.829 -10.766 1.00 0.00 C ATOM 961 CG1 VAL A 63 -6.381 -0.525 -11.218 1.00 0.00 C ATOM 962 CG2 VAL A 63 -6.909 -2.894 -11.849 1.00 0.00 C ATOM 0 H VAL A 63 -5.026 -3.844 -9.911 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.293 -1.483 -8.767 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.080 -1.638 -10.585 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.845 -0.194 -12.147 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.523 0.236 -10.450 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.315 -0.681 -11.381 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.363 -2.526 -12.769 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.858 -3.121 -12.028 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.426 -3.798 -11.526 1.00 0.00 H new ATOM 972 N ALA A 64 -8.517 -3.021 -8.511 1.00 0.00 N ATOM 973 CA ALA A 64 -9.479 -3.959 -7.938 1.00 0.00 C ATOM 974 C ALA A 64 -9.200 -4.214 -6.450 1.00 0.00 C ATOM 975 O ALA A 64 -8.795 -3.302 -5.729 1.00 0.00 O ATOM 976 CB ALA A 64 -9.481 -5.256 -8.742 1.00 0.00 C ATOM 0 H ALA A 64 -8.872 -2.071 -8.624 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.473 -3.516 -7.997 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.201 -5.951 -8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.758 -5.043 -9.775 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.486 -5.701 -8.717 1.00 0.00 H new ATOM 982 N GLY A 65 -9.433 -5.445 -5.989 1.00 0.00 N ATOM 983 CA GLY A 65 -9.218 -5.777 -4.595 1.00 0.00 C ATOM 984 C GLY A 65 -7.907 -6.498 -4.343 1.00 0.00 C ATOM 985 O GLY A 65 -7.872 -7.726 -4.265 1.00 0.00 O ATOM 0 H GLY A 65 -9.768 -6.218 -6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.240 -4.862 -4.003 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.041 -6.402 -4.247 1.00 0.00 H new ATOM 989 N GLN A 66 -6.829 -5.735 -4.213 1.00 0.00 N ATOM 990 CA GLN A 66 -5.505 -6.311 -3.964 1.00 0.00 C ATOM 991 C GLN A 66 -4.899 -5.757 -2.673 1.00 0.00 C ATOM 992 O GLN A 66 -5.363 -4.749 -2.145 1.00 0.00 O ATOM 993 CB GLN A 66 -4.571 -6.031 -5.142 1.00 0.00 C ATOM 994 CG GLN A 66 -4.757 -6.993 -6.305 1.00 0.00 C ATOM 995 CD GLN A 66 -4.673 -8.448 -5.883 1.00 0.00 C ATOM 996 OE1 GLN A 66 -5.691 -9.121 -5.729 1.00 0.00 O ATOM 997 NE2 GLN A 66 -3.454 -8.938 -5.694 1.00 0.00 N ATOM 0 H GLN A 66 -6.841 -4.717 -4.275 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.624 -7.389 -3.853 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.737 -5.013 -5.493 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.538 -6.085 -4.798 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.725 -6.810 -6.771 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.997 -6.794 -7.060 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.638 -8.343 -5.834 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.334 -9.910 -5.409 1.00 0.00 H new ATOM 1006 N THR A 67 -3.872 -6.437 -2.156 1.00 0.00 N ATOM 1007 CA THR A 67 -3.223 -6.018 -0.911 1.00 0.00 C ATOM 1008 C THR A 67 -1.740 -5.705 -1.114 1.00 0.00 C ATOM 1009 O THR A 67 -1.085 -6.275 -1.984 1.00 0.00 O ATOM 1010 CB THR A 67 -3.387 -7.110 0.154 1.00 0.00 C ATOM 1011 OG1 THR A 67 -4.759 -7.380 0.388 1.00 0.00 O ATOM 1012 CG2 THR A 67 -2.757 -6.760 1.484 1.00 0.00 C ATOM 0 H THR A 67 -3.474 -7.276 -2.578 1.00 0.00 H new ATOM 0 HA THR A 67 -3.709 -5.101 -0.578 1.00 0.00 H new ATOM 0 HB THR A 67 -2.873 -7.981 -0.251 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.843 -8.080 1.069 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.913 -7.578 2.187 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.688 -6.597 1.348 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.216 -5.852 1.876 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.222 -4.788 -0.290 1.00 0.00 N ATOM 1021 CA VAL A 68 0.180 -4.381 -0.354 1.00 0.00 C ATOM 1022 C VAL A 68 0.812 -4.441 1.046 1.00 0.00 C ATOM 1023 O VAL A 68 0.121 -4.255 2.047 1.00 0.00 O ATOM 1024 CB VAL A 68 0.303 -2.953 -0.962 1.00 0.00 C ATOM 1025 CG1 VAL A 68 1.066 -2.004 -0.052 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.952 -3.008 -2.334 1.00 0.00 C ATOM 0 H VAL A 68 -1.760 -4.312 0.434 1.00 0.00 H new ATOM 0 HA VAL A 68 0.720 -5.071 -1.003 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.709 -2.561 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.125 -1.021 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.548 -1.921 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.072 -2.389 0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.028 -2.000 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.949 -3.441 -2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.345 -3.623 -2.999 1.00 0.00 H new ATOM 1036 N SER A 69 2.117 -4.728 1.120 1.00 0.00 N ATOM 1037 CA SER A 69 2.798 -4.836 2.416 1.00 0.00 C ATOM 1038 C SER A 69 4.182 -4.169 2.425 1.00 0.00 C ATOM 1039 O SER A 69 4.992 -4.376 1.513 1.00 0.00 O ATOM 1040 CB SER A 69 2.942 -6.309 2.803 1.00 0.00 C ATOM 1041 OG SER A 69 1.837 -7.069 2.343 1.00 0.00 O ATOM 0 H SER A 69 2.716 -4.888 0.310 1.00 0.00 H new ATOM 0 HA SER A 69 2.180 -4.307 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.864 -6.710 2.382 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.022 -6.397 3.886 1.00 0.00 H new ATOM 0 HG SER A 69 1.224 -7.239 3.088 1.00 0.00 H new ATOM 1047 N PHE A 70 4.443 -3.383 3.484 1.00 0.00 N ATOM 1048 CA PHE A 70 5.725 -2.687 3.656 1.00 0.00 C ATOM 1049 C PHE A 70 6.204 -2.752 5.105 1.00 0.00 C ATOM 1050 O PHE A 70 5.586 -2.172 5.995 1.00 0.00 O ATOM 1051 CB PHE A 70 5.605 -1.212 3.267 1.00 0.00 C ATOM 1052 CG PHE A 70 6.872 -0.425 3.470 1.00 0.00 C ATOM 1053 CD1 PHE A 70 8.108 -1.040 3.372 1.00 0.00 C ATOM 1054 CD2 PHE A 70 6.823 0.926 3.767 1.00 0.00 C ATOM 1055 CE1 PHE A 70 9.274 -0.325 3.564 1.00 0.00 C ATOM 1056 CE2 PHE A 70 7.985 1.647 3.961 1.00 0.00 C ATOM 1057 CZ PHE A 70 9.212 1.022 3.860 1.00 0.00 C ATOM 0 H PHE A 70 3.776 -3.215 4.237 1.00 0.00 H new ATOM 0 HA PHE A 70 6.442 -3.190 3.007 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.311 -1.145 2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.807 -0.755 3.852 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.162 -2.094 3.142 1.00 0.00 H new ATOM 0 HD2 PHE A 70 5.867 1.421 3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.231 -0.818 3.483 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.934 2.701 4.192 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.121 1.585 4.012 1.00 0.00 H new ATOM 1067 N ALA A 71 7.327 -3.425 5.326 1.00 0.00 N ATOM 1068 CA ALA A 71 7.921 -3.539 6.659 1.00 0.00 C ATOM 1069 C ALA A 71 6.873 -3.658 7.769 1.00 0.00 C ATOM 1070 O ALA A 71 7.090 -3.186 8.884 1.00 0.00 O ATOM 1071 CB ALA A 71 8.827 -2.342 6.919 1.00 0.00 C ATOM 0 H ALA A 71 7.851 -3.905 4.594 1.00 0.00 H new ATOM 0 HA ALA A 71 8.502 -4.461 6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.268 -2.429 7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.619 -2.316 6.171 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.243 -1.424 6.861 1.00 0.00 H new ATOM 1077 N GLY A 72 5.743 -4.296 7.469 1.00 0.00 N ATOM 1078 CA GLY A 72 4.703 -4.460 8.472 1.00 0.00 C ATOM 1079 C GLY A 72 3.405 -3.761 8.118 1.00 0.00 C ATOM 1080 O GLY A 72 2.377 -4.002 8.749 1.00 0.00 O ATOM 0 H GLY A 72 5.530 -4.699 6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.508 -5.523 8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.065 -4.075 9.425 1.00 0.00 H new ATOM 1084 N HIS A 73 3.445 -2.887 7.119 1.00 0.00 N ATOM 1085 CA HIS A 73 2.255 -2.157 6.712 1.00 0.00 C ATOM 1086 C HIS A 73 1.465 -2.940 5.671 1.00 0.00 C ATOM 1087 O HIS A 73 1.591 -2.694 4.472 1.00 0.00 O ATOM 1088 CB HIS A 73 2.631 -0.787 6.141 1.00 0.00 C ATOM 1089 CG HIS A 73 3.621 -0.028 6.968 1.00 0.00 C ATOM 1090 ND1 HIS A 73 3.944 -0.374 8.262 1.00 0.00 N ATOM 1091 CD2 HIS A 73 4.367 1.067 6.676 1.00 0.00 C ATOM 1092 CE1 HIS A 73 4.843 0.472 8.734 1.00 0.00 C ATOM 1093 NE2 HIS A 73 5.117 1.355 7.791 1.00 0.00 N ATOM 0 H HIS A 73 4.283 -2.669 6.580 1.00 0.00 H new ATOM 0 HA HIS A 73 1.634 -2.019 7.597 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.039 -0.923 5.140 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.726 -0.188 6.038 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.371 1.610 5.743 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.279 0.446 9.722 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.779 2.127 7.876 1.00 0.00 H new ATOM 1101 N SER A 74 0.649 -3.880 6.131 1.00 0.00 N ATOM 1102 CA SER A 74 -0.159 -4.690 5.229 1.00 0.00 C ATOM 1103 C SER A 74 -1.561 -4.104 5.077 1.00 0.00 C ATOM 1104 O SER A 74 -2.417 -4.278 5.944 1.00 0.00 O ATOM 1105 CB SER A 74 -0.237 -6.129 5.739 1.00 0.00 C ATOM 1106 OG SER A 74 0.856 -6.899 5.267 1.00 0.00 O ATOM 0 H SER A 74 0.529 -4.100 7.120 1.00 0.00 H new ATOM 0 HA SER A 74 0.317 -4.688 4.249 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.244 -6.132 6.829 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.173 -6.583 5.413 1.00 0.00 H new ATOM 0 HG SER A 74 0.783 -7.815 5.609 1.00 0.00 H new ATOM 1112 N VAL A 75 -1.783 -3.405 3.968 1.00 0.00 N ATOM 1113 CA VAL A 75 -3.075 -2.783 3.691 1.00 0.00 C ATOM 1114 C VAL A 75 -3.667 -3.324 2.396 1.00 0.00 C ATOM 1115 O VAL A 75 -2.940 -3.798 1.523 1.00 0.00 O ATOM 1116 CB VAL A 75 -2.931 -1.251 3.580 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.280 -0.574 3.373 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -2.229 -0.696 4.810 1.00 0.00 C ATOM 0 H VAL A 75 -1.082 -3.254 3.243 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.742 -3.023 4.519 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.322 -1.034 2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.138 0.504 3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.736 -0.944 2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.933 -0.797 4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.134 0.386 4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.811 -0.935 5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.238 -1.141 4.895 1.00 0.00 H new ATOM 1128 N GLN A 76 -4.988 -3.250 2.272 1.00 0.00 N ATOM 1129 CA GLN A 76 -5.670 -3.738 1.082 1.00 0.00 C ATOM 1130 C GLN A 76 -6.261 -2.575 0.293 1.00 0.00 C ATOM 1131 O GLN A 76 -6.413 -1.470 0.813 1.00 0.00 O ATOM 1132 CB GLN A 76 -6.772 -4.728 1.470 1.00 0.00 C ATOM 1133 CG GLN A 76 -6.379 -5.671 2.596 1.00 0.00 C ATOM 1134 CD GLN A 76 -7.386 -6.783 2.807 1.00 0.00 C ATOM 1135 OE1 GLN A 76 -8.315 -6.954 2.017 1.00 0.00 O ATOM 1136 NE2 GLN A 76 -7.206 -7.545 3.880 1.00 0.00 N ATOM 0 H GLN A 76 -5.606 -2.857 2.982 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.943 -4.252 0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.660 -4.171 1.768 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.044 -5.316 0.594 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.404 -6.106 2.376 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.273 -5.102 3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.422 -7.366 4.507 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.852 -8.309 4.077 1.00 0.00 H new ATOM 1145 N VAL A 77 -6.561 -2.825 -0.974 1.00 0.00 N ATOM 1146 CA VAL A 77 -7.101 -1.793 -1.850 1.00 0.00 C ATOM 1147 C VAL A 77 -8.298 -2.303 -2.637 1.00 0.00 C ATOM 1148 O VAL A 77 -8.354 -3.473 -3.001 1.00 0.00 O ATOM 1149 CB VAL A 77 -6.026 -1.315 -2.845 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -6.479 -0.061 -3.576 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -4.702 -1.078 -2.131 1.00 0.00 C ATOM 0 H VAL A 77 -6.440 -3.735 -1.419 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.418 -0.965 -1.215 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.878 -2.100 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.702 0.255 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.396 -0.272 -4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.665 0.734 -2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.956 -0.741 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.834 -0.317 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.367 -2.006 -1.669 1.00 0.00 H new ATOM 1161 N VAL A 78 -9.250 -1.413 -2.907 1.00 0.00 N ATOM 1162 CA VAL A 78 -10.439 -1.774 -3.668 1.00 0.00 C ATOM 1163 C VAL A 78 -10.703 -0.764 -4.781 1.00 0.00 C ATOM 1164 O VAL A 78 -10.253 0.382 -4.714 1.00 0.00 O ATOM 1165 CB VAL A 78 -11.687 -1.871 -2.771 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -11.653 -3.149 -1.950 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -11.804 -0.649 -1.870 1.00 0.00 C ATOM 0 H VAL A 78 -9.219 -0.438 -2.610 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.245 -2.755 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.568 -1.899 -3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.542 -3.202 -1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.629 -4.010 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.763 -3.153 -1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.693 -0.741 -1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.921 -0.579 -1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.882 0.249 -2.483 1.00 0.00 H new ATOM 1177 N ALA A 79 -11.433 -1.200 -5.803 1.00 0.00 N ATOM 1178 CA ALA A 79 -11.758 -0.339 -6.933 1.00 0.00 C ATOM 1179 C ALA A 79 -12.530 0.895 -6.480 1.00 0.00 C ATOM 1180 O ALA A 79 -13.363 0.766 -5.557 1.00 0.00 O ATOM 1181 CB ALA A 79 -12.556 -1.112 -7.975 1.00 0.00 C ATOM 1182 OXT ALA A 79 -12.296 1.981 -7.051 1.00 0.00 O ATOM 0 H ALA A 79 -11.810 -2.145 -5.871 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.823 -0.005 -7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.792 -0.456 -8.813 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.967 -1.958 -8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.481 -1.476 -7.528 1.00 0.00 H new TER 1188 ALA A 79