USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 462 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 17 ASN : amide:sc= -2.12 K(o=-2.1,f=-2.9!) USER MOD Set 1.2: A 20 GLN : amide:sc= -0.0255 K(o=-2.1,f=-3.1) USER MOD Single : A 2 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.5!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 8 SER OG : rot 20:sc= 0.00231 USER MOD Single : A -3 HIS : no HE2:sc= -1.15 K(o=-1.1,f=-2.6!) USER MOD Single : A -5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 46:sc= 0.0788 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 38:sc= 0.0956 USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00738) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.351 X(o=-0.35,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0329 X(o=-0.033,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.444 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A -11 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.2) USER MOD Single : A -14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -16 SER OG : rot 39:sc= -0.962 USER MOD Single : A -17 ASN : amide:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : A -18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -18 MET N :NH3+ 159:sc= -0.0296 (180deg=-0.246) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 -13.680 10.231 -7.871 1.00 0.00 N ATOM 2 CA MET A -18 -14.355 9.035 -8.446 1.00 0.00 C ATOM 3 C MET A -18 -15.145 8.281 -7.381 1.00 0.00 C ATOM 4 O MET A -18 -14.576 7.555 -6.567 1.00 0.00 O ATOM 5 CB MET A -18 -13.293 8.124 -9.068 1.00 0.00 C ATOM 6 CG MET A -18 -12.297 7.564 -8.063 1.00 0.00 C ATOM 7 SD MET A -18 -10.583 7.874 -8.529 1.00 0.00 S ATOM 8 CE MET A -18 -10.021 6.210 -8.883 1.00 0.00 C ATOM 0 H1 MET A -18 -12.892 10.515 -8.488 1.00 0.00 H new ATOM 0 H2 MET A -18 -14.362 11.013 -7.798 1.00 0.00 H new ATOM 0 H3 MET A -18 -13.314 10.002 -6.925 1.00 0.00 H new ATOM 0 HA MET A -18 -15.063 9.357 -9.210 1.00 0.00 H new ATOM 0 HB2 MET A -18 -13.790 7.296 -9.573 1.00 0.00 H new ATOM 0 HB3 MET A -18 -12.750 8.683 -9.830 1.00 0.00 H new ATOM 0 HG2 MET A -18 -12.488 8.005 -7.085 1.00 0.00 H new ATOM 0 HG3 MET A -18 -12.453 6.490 -7.964 1.00 0.00 H new ATOM 0 HE1 MET A -18 -8.974 6.236 -9.186 1.00 0.00 H new ATOM 0 HE2 MET A -18 -10.125 5.593 -7.990 1.00 0.00 H new ATOM 0 HE3 MET A -18 -10.621 5.787 -9.688 1.00 0.00 H new ATOM 20 N ASN A -17 -16.462 8.458 -7.393 1.00 0.00 N ATOM 21 CA ASN A -17 -17.332 7.794 -6.429 1.00 0.00 C ATOM 22 C ASN A -17 -17.771 6.428 -6.946 1.00 0.00 C ATOM 23 O ASN A -17 -18.877 6.275 -7.466 1.00 0.00 O ATOM 24 CB ASN A -17 -18.559 8.659 -6.136 1.00 0.00 C ATOM 25 CG ASN A -17 -18.265 9.759 -5.135 1.00 0.00 C ATOM 26 OD1 ASN A -17 -18.880 9.827 -4.072 1.00 0.00 O ATOM 27 ND2 ASN A -17 -17.320 10.630 -5.473 1.00 0.00 N ATOM 0 H ASN A -17 -16.950 9.056 -8.060 1.00 0.00 H new ATOM 0 HA ASN A -17 -16.769 7.651 -5.507 1.00 0.00 H new ATOM 0 HB2 ASN A -17 -18.917 9.103 -7.065 1.00 0.00 H new ATOM 0 HB3 ASN A -17 -19.362 8.029 -5.754 1.00 0.00 H new ATOM 0 HD21 ASN A -17 -17.080 11.393 -4.840 1.00 0.00 H new ATOM 0 HD22 ASN A -17 -16.835 10.536 -6.365 1.00 0.00 H new ATOM 34 N SER A -16 -16.898 5.436 -6.800 1.00 0.00 N ATOM 35 CA SER A -16 -17.195 4.082 -7.251 1.00 0.00 C ATOM 36 C SER A -16 -17.883 3.279 -6.152 1.00 0.00 C ATOM 37 O SER A -16 -17.541 3.397 -4.974 1.00 0.00 O ATOM 38 CB SER A -16 -15.913 3.375 -7.689 1.00 0.00 C ATOM 39 OG SER A -16 -14.825 3.725 -6.851 1.00 0.00 O ATOM 0 H SER A -16 -15.978 5.545 -6.372 1.00 0.00 H new ATOM 0 HA SER A -16 -17.872 4.151 -8.102 1.00 0.00 H new ATOM 0 HB2 SER A -16 -16.063 2.296 -7.664 1.00 0.00 H new ATOM 0 HB3 SER A -16 -15.682 3.641 -8.720 1.00 0.00 H new ATOM 0 HG SER A -16 -15.134 3.788 -5.923 1.00 0.00 H new ATOM 45 N VAL A -15 -18.849 2.454 -6.545 1.00 0.00 N ATOM 46 CA VAL A -15 -19.580 1.632 -5.590 1.00 0.00 C ATOM 47 C VAL A -15 -18.977 0.238 -5.507 1.00 0.00 C ATOM 48 O VAL A -15 -19.116 -0.451 -4.498 1.00 0.00 O ATOM 49 CB VAL A -15 -21.070 1.518 -5.967 1.00 0.00 C ATOM 50 CG1 VAL A -15 -21.860 0.872 -4.839 1.00 0.00 C ATOM 51 CG2 VAL A -15 -21.641 2.885 -6.312 1.00 0.00 C ATOM 0 H VAL A -15 -19.142 2.338 -7.515 1.00 0.00 H new ATOM 0 HA VAL A -15 -19.501 2.121 -4.619 1.00 0.00 H new ATOM 0 HB VAL A -15 -21.154 0.882 -6.848 1.00 0.00 H new ATOM 0 HG11 VAL A -15 -22.910 0.800 -5.124 1.00 0.00 H new ATOM 0 HG12 VAL A -15 -21.468 -0.126 -4.645 1.00 0.00 H new ATOM 0 HG13 VAL A -15 -21.770 1.478 -3.938 1.00 0.00 H new ATOM 0 HG21 VAL A -15 -22.694 2.784 -6.575 1.00 0.00 H new ATOM 0 HG22 VAL A -15 -21.544 3.547 -5.452 1.00 0.00 H new ATOM 0 HG23 VAL A -15 -21.095 3.305 -7.156 1.00 0.00 H new ATOM 61 N LYS A -14 -18.279 -0.159 -6.563 1.00 0.00 N ATOM 62 CA LYS A -14 -17.624 -1.455 -6.594 1.00 0.00 C ATOM 63 C LYS A -14 -16.264 -1.349 -5.922 1.00 0.00 C ATOM 64 O LYS A -14 -15.817 -2.272 -5.240 1.00 0.00 O ATOM 65 CB LYS A -14 -17.467 -1.949 -8.033 1.00 0.00 C ATOM 66 CG LYS A -14 -16.766 -3.294 -8.143 1.00 0.00 C ATOM 67 CD LYS A -14 -15.735 -3.297 -9.262 1.00 0.00 C ATOM 68 CE LYS A -14 -14.366 -2.869 -8.759 1.00 0.00 C ATOM 69 NZ LYS A -14 -13.324 -2.990 -9.815 1.00 0.00 N ATOM 0 H LYS A -14 -18.153 0.399 -7.407 1.00 0.00 H new ATOM 0 HA LYS A -14 -18.240 -2.175 -6.056 1.00 0.00 H new ATOM 0 HB2 LYS A -14 -18.453 -2.024 -8.492 1.00 0.00 H new ATOM 0 HB3 LYS A -14 -16.906 -1.209 -8.603 1.00 0.00 H new ATOM 0 HG2 LYS A -14 -16.278 -3.529 -7.197 1.00 0.00 H new ATOM 0 HG3 LYS A -14 -17.503 -4.076 -8.325 1.00 0.00 H new ATOM 0 HD2 LYS A -14 -15.669 -4.295 -9.695 1.00 0.00 H new ATOM 0 HD3 LYS A -14 -16.058 -2.625 -10.057 1.00 0.00 H new ATOM 0 HE2 LYS A -14 -14.413 -1.837 -8.412 1.00 0.00 H new ATOM 0 HE3 LYS A -14 -14.087 -3.481 -7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A -14 -12.405 -2.689 -9.432 1.00 0.00 H new ATOM 0 HZ2 LYS A -14 -13.261 -3.980 -10.129 1.00 0.00 H new ATOM 0 HZ3 LYS A -14 -13.577 -2.386 -10.623 1.00 0.00 H new ATOM 83 N GLU A -13 -15.622 -0.200 -6.103 1.00 0.00 N ATOM 84 CA GLU A -13 -14.326 0.053 -5.502 1.00 0.00 C ATOM 85 C GLU A -13 -14.498 0.427 -4.039 1.00 0.00 C ATOM 86 O GLU A -13 -13.685 0.064 -3.189 1.00 0.00 O ATOM 87 CB GLU A -13 -13.594 1.169 -6.252 1.00 0.00 C ATOM 88 CG GLU A -13 -12.110 0.898 -6.447 1.00 0.00 C ATOM 89 CD GLU A -13 -11.518 1.698 -7.591 1.00 0.00 C ATOM 90 OE1 GLU A -13 -11.183 2.882 -7.376 1.00 0.00 O ATOM 91 OE2 GLU A -13 -11.389 1.141 -8.701 1.00 0.00 O ATOM 0 H GLU A -13 -15.983 0.571 -6.664 1.00 0.00 H new ATOM 0 HA GLU A -13 -13.727 -0.855 -5.568 1.00 0.00 H new ATOM 0 HB2 GLU A -13 -14.061 1.307 -7.227 1.00 0.00 H new ATOM 0 HB3 GLU A -13 -13.716 2.104 -5.705 1.00 0.00 H new ATOM 0 HG2 GLU A -13 -11.577 1.137 -5.527 1.00 0.00 H new ATOM 0 HG3 GLU A -13 -11.960 -0.165 -6.636 1.00 0.00 H new ATOM 98 N LEU A -12 -15.574 1.148 -3.756 1.00 0.00 N ATOM 99 CA LEU A -12 -15.878 1.569 -2.395 1.00 0.00 C ATOM 100 C LEU A -12 -16.451 0.410 -1.585 1.00 0.00 C ATOM 101 O LEU A -12 -16.371 0.399 -0.358 1.00 0.00 O ATOM 102 CB LEU A -12 -16.866 2.738 -2.408 1.00 0.00 C ATOM 103 CG LEU A -12 -17.257 3.273 -1.027 1.00 0.00 C ATOM 104 CD1 LEU A -12 -16.412 4.485 -0.666 1.00 0.00 C ATOM 105 CD2 LEU A -12 -18.736 3.623 -0.990 1.00 0.00 C ATOM 0 H LEU A -12 -16.253 1.454 -4.453 1.00 0.00 H new ATOM 0 HA LEU A -12 -14.950 1.894 -1.925 1.00 0.00 H new ATOM 0 HB2 LEU A -12 -16.433 3.553 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A -12 -17.771 2.423 -2.928 1.00 0.00 H new ATOM 0 HG LEU A -12 -17.070 2.492 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A -12 -16.704 4.852 0.318 1.00 0.00 H new ATOM 0 HD12 LEU A -12 -15.359 4.203 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A -12 -16.567 5.270 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A -12 -18.996 4.001 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A -12 -18.948 4.387 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A -12 -19.326 2.732 -1.204 1.00 0.00 H new ATOM 117 N ASN A -11 -17.026 -0.567 -2.279 1.00 0.00 N ATOM 118 CA ASN A -11 -17.606 -1.728 -1.621 1.00 0.00 C ATOM 119 C ASN A -11 -16.519 -2.669 -1.113 1.00 0.00 C ATOM 120 O ASN A -11 -16.736 -3.439 -0.177 1.00 0.00 O ATOM 121 CB ASN A -11 -18.540 -2.473 -2.577 1.00 0.00 C ATOM 122 CG ASN A -11 -19.983 -2.027 -2.439 1.00 0.00 C ATOM 123 OD1 ASN A -11 -20.262 -0.919 -1.984 1.00 0.00 O ATOM 124 ND2 ASN A -11 -20.909 -2.894 -2.833 1.00 0.00 N ATOM 0 H ASN A -11 -17.102 -0.576 -3.296 1.00 0.00 H new ATOM 0 HA ASN A -11 -18.182 -1.376 -0.765 1.00 0.00 H new ATOM 0 HB2 ASN A -11 -18.209 -2.312 -3.603 1.00 0.00 H new ATOM 0 HB3 ASN A -11 -18.473 -3.544 -2.385 1.00 0.00 H new ATOM 0 HD21 ASN A -11 -21.897 -2.651 -2.764 1.00 0.00 H new ATOM 0 HD22 ASN A -11 -20.632 -3.803 -3.205 1.00 0.00 H new ATOM 131 N VAL A -10 -15.350 -2.603 -1.739 1.00 0.00 N ATOM 132 CA VAL A -10 -14.226 -3.448 -1.356 1.00 0.00 C ATOM 133 C VAL A -10 -13.591 -2.973 -0.052 1.00 0.00 C ATOM 134 O VAL A -10 -13.336 -3.770 0.850 1.00 0.00 O ATOM 135 CB VAL A -10 -13.146 -3.479 -2.453 1.00 0.00 C ATOM 136 CG1 VAL A -10 -12.097 -4.534 -2.142 1.00 0.00 C ATOM 137 CG2 VAL A -10 -13.775 -3.726 -3.817 1.00 0.00 C ATOM 0 H VAL A -10 -15.156 -1.971 -2.516 1.00 0.00 H new ATOM 0 HA VAL A -10 -14.625 -4.453 -1.217 1.00 0.00 H new ATOM 0 HB VAL A -10 -12.653 -2.507 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A -10 -11.343 -4.540 -2.929 1.00 0.00 H new ATOM 0 HG12 VAL A -10 -11.623 -4.306 -1.187 1.00 0.00 H new ATOM 0 HG13 VAL A -10 -12.572 -5.514 -2.087 1.00 0.00 H new ATOM 0 HG21 VAL A -10 -12.996 -3.744 -4.579 1.00 0.00 H new ATOM 0 HG22 VAL A -10 -14.297 -4.683 -3.809 1.00 0.00 H new ATOM 0 HG23 VAL A -10 -14.483 -2.928 -4.041 1.00 0.00 H new ATOM 147 N LYS A -9 -13.336 -1.671 0.039 1.00 0.00 N ATOM 148 CA LYS A -9 -12.725 -1.089 1.231 1.00 0.00 C ATOM 149 C LYS A -9 -13.472 -1.510 2.495 1.00 0.00 C ATOM 150 O LYS A -9 -12.865 -1.749 3.539 1.00 0.00 O ATOM 151 CB LYS A -9 -12.689 0.440 1.116 1.00 0.00 C ATOM 152 CG LYS A -9 -14.015 1.123 1.423 1.00 0.00 C ATOM 153 CD LYS A -9 -14.195 2.384 0.594 1.00 0.00 C ATOM 154 CE LYS A -9 -13.525 3.582 1.248 1.00 0.00 C ATOM 155 NZ LYS A -9 -12.162 3.830 0.698 1.00 0.00 N ATOM 0 H LYS A -9 -13.543 -0.998 -0.699 1.00 0.00 H new ATOM 0 HA LYS A -9 -11.703 -1.462 1.305 1.00 0.00 H new ATOM 0 HB2 LYS A -9 -11.929 0.826 1.795 1.00 0.00 H new ATOM 0 HB3 LYS A -9 -12.380 0.710 0.106 1.00 0.00 H new ATOM 0 HG2 LYS A -9 -14.836 0.434 1.223 1.00 0.00 H new ATOM 0 HG3 LYS A -9 -14.060 1.373 2.483 1.00 0.00 H new ATOM 0 HD2 LYS A -9 -13.776 2.230 -0.400 1.00 0.00 H new ATOM 0 HD3 LYS A -9 -15.258 2.587 0.464 1.00 0.00 H new ATOM 0 HE2 LYS A -9 -14.142 4.468 1.100 1.00 0.00 H new ATOM 0 HE3 LYS A -9 -13.457 3.417 2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A -9 -11.741 4.655 1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A -9 -11.564 2.995 0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A -9 -12.228 4.013 -0.324 1.00 0.00 H new ATOM 169 N GLU A -8 -14.792 -1.602 2.387 1.00 0.00 N ATOM 170 CA GLU A -8 -15.629 -1.997 3.515 1.00 0.00 C ATOM 171 C GLU A -8 -15.183 -3.336 4.081 1.00 0.00 C ATOM 172 O GLU A -8 -14.573 -3.406 5.149 1.00 0.00 O ATOM 173 CB GLU A -8 -17.096 -2.073 3.085 1.00 0.00 C ATOM 174 CG GLU A -8 -17.878 -0.799 3.360 1.00 0.00 C ATOM 175 CD GLU A -8 -17.922 0.128 2.162 1.00 0.00 C ATOM 176 OE1 GLU A -8 -18.509 -0.261 1.131 1.00 0.00 O ATOM 177 OE2 GLU A -8 -17.369 1.244 2.254 1.00 0.00 O ATOM 0 H GLU A -8 -15.307 -1.408 1.528 1.00 0.00 H new ATOM 0 HA GLU A -8 -15.524 -1.243 4.295 1.00 0.00 H new ATOM 0 HB2 GLU A -8 -17.142 -2.295 2.019 1.00 0.00 H new ATOM 0 HB3 GLU A -8 -17.576 -2.903 3.604 1.00 0.00 H new ATOM 0 HG2 GLU A -8 -18.896 -1.058 3.652 1.00 0.00 H new ATOM 0 HG3 GLU A -8 -17.428 -0.276 4.203 1.00 0.00 H new ATOM 184 N MET A -7 -15.494 -4.395 3.354 1.00 0.00 N ATOM 185 CA MET A -7 -15.137 -5.749 3.763 1.00 0.00 C ATOM 186 C MET A -7 -13.634 -5.871 4.011 1.00 0.00 C ATOM 187 O MET A -7 -13.189 -6.741 4.762 1.00 0.00 O ATOM 188 CB MET A -7 -15.572 -6.757 2.700 1.00 0.00 C ATOM 189 CG MET A -7 -15.094 -6.409 1.299 1.00 0.00 C ATOM 190 SD MET A -7 -15.517 -7.676 0.087 1.00 0.00 S ATOM 191 CE MET A -7 -14.125 -8.790 0.261 1.00 0.00 C ATOM 0 H MET A -7 -15.998 -4.345 2.469 1.00 0.00 H new ATOM 0 HA MET A -7 -15.658 -5.965 4.696 1.00 0.00 H new ATOM 0 HB2 MET A -7 -15.193 -7.743 2.970 1.00 0.00 H new ATOM 0 HB3 MET A -7 -16.660 -6.823 2.698 1.00 0.00 H new ATOM 0 HG2 MET A -7 -15.534 -5.459 0.995 1.00 0.00 H new ATOM 0 HG3 MET A -7 -14.013 -6.270 1.312 1.00 0.00 H new ATOM 0 HE1 MET A -7 -14.242 -9.628 -0.426 1.00 0.00 H new ATOM 0 HE2 MET A -7 -13.202 -8.258 0.031 1.00 0.00 H new ATOM 0 HE3 MET A -7 -14.083 -9.163 1.284 1.00 0.00 H new ATOM 201 N LYS A -6 -12.857 -4.994 3.377 1.00 0.00 N ATOM 202 CA LYS A -6 -11.406 -5.009 3.532 1.00 0.00 C ATOM 203 C LYS A -6 -11.018 -4.940 5.003 1.00 0.00 C ATOM 204 O LYS A -6 -10.326 -5.823 5.511 1.00 0.00 O ATOM 205 CB LYS A -6 -10.774 -3.843 2.767 1.00 0.00 C ATOM 206 CG LYS A -6 -9.520 -4.228 1.998 1.00 0.00 C ATOM 207 CD LYS A -6 -9.005 -3.072 1.154 1.00 0.00 C ATOM 208 CE LYS A -6 -9.209 -3.329 -0.330 1.00 0.00 C ATOM 209 NZ LYS A -6 -8.041 -4.019 -0.942 1.00 0.00 N ATOM 0 H LYS A -6 -13.208 -4.267 2.753 1.00 0.00 H new ATOM 0 HA LYS A -6 -11.031 -5.946 3.119 1.00 0.00 H new ATOM 0 HB2 LYS A -6 -11.507 -3.437 2.070 1.00 0.00 H new ATOM 0 HB3 LYS A -6 -10.529 -3.048 3.471 1.00 0.00 H new ATOM 0 HG2 LYS A -6 -8.745 -4.542 2.698 1.00 0.00 H new ATOM 0 HG3 LYS A -6 -9.734 -5.082 1.355 1.00 0.00 H new ATOM 0 HD2 LYS A -6 -9.520 -2.155 1.439 1.00 0.00 H new ATOM 0 HD3 LYS A -6 -7.945 -2.918 1.355 1.00 0.00 H new ATOM 0 HE2 LYS A -6 -10.104 -3.935 -0.473 1.00 0.00 H new ATOM 0 HE3 LYS A -6 -9.380 -2.382 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A -6 -8.221 -4.175 -1.954 1.00 0.00 H new ATOM 0 HZ2 LYS A -6 -7.191 -3.430 -0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A -6 -7.893 -4.935 -0.472 1.00 0.00 H new ATOM 223 N GLN A -5 -11.472 -3.896 5.692 1.00 0.00 N ATOM 224 CA GLN A -5 -11.166 -3.743 7.105 1.00 0.00 C ATOM 225 C GLN A -5 -12.160 -4.512 7.972 1.00 0.00 C ATOM 226 O GLN A -5 -12.251 -4.289 9.179 1.00 0.00 O ATOM 227 CB GLN A -5 -11.216 -2.273 7.482 1.00 0.00 C ATOM 228 CG GLN A -5 -9.979 -1.491 7.074 1.00 0.00 C ATOM 229 CD GLN A -5 -10.314 -0.223 6.313 1.00 0.00 C ATOM 230 OE1 GLN A -5 -10.873 0.720 6.871 1.00 0.00 O ATOM 231 NE2 GLN A -5 -9.971 -0.196 5.030 1.00 0.00 N ATOM 0 H GLN A -5 -12.047 -3.152 5.297 1.00 0.00 H new ATOM 0 HA GLN A -5 -10.167 -4.144 7.279 1.00 0.00 H new ATOM 0 HB2 GLN A -5 -12.091 -1.818 7.017 1.00 0.00 H new ATOM 0 HB3 GLN A -5 -11.348 -2.189 8.561 1.00 0.00 H new ATOM 0 HG2 GLN A -5 -9.406 -1.235 7.965 1.00 0.00 H new ATOM 0 HG3 GLN A -5 -9.342 -2.123 6.456 1.00 0.00 H new ATOM 0 HE21 GLN A -5 -9.509 -1.002 4.609 1.00 0.00 H new ATOM 0 HE22 GLN A -5 -10.170 0.630 4.466 1.00 0.00 H new ATOM 240 N LEU A -4 -12.878 -5.433 7.350 1.00 0.00 N ATOM 241 CA LEU A -4 -13.844 -6.264 8.054 1.00 0.00 C ATOM 242 C LEU A -4 -13.171 -7.528 8.557 1.00 0.00 C ATOM 243 O LEU A -4 -12.934 -7.695 9.753 1.00 0.00 O ATOM 244 CB LEU A -4 -15.025 -6.611 7.142 1.00 0.00 C ATOM 245 CG LEU A -4 -16.228 -7.237 7.850 1.00 0.00 C ATOM 246 CD1 LEU A -4 -16.883 -6.227 8.780 1.00 0.00 C ATOM 247 CD2 LEU A -4 -17.232 -7.758 6.834 1.00 0.00 C ATOM 0 H LEU A -4 -12.810 -5.626 6.351 1.00 0.00 H new ATOM 0 HA LEU A -4 -14.228 -5.706 8.908 1.00 0.00 H new ATOM 0 HB2 LEU A -4 -15.353 -5.703 6.636 1.00 0.00 H new ATOM 0 HB3 LEU A -4 -14.679 -7.299 6.370 1.00 0.00 H new ATOM 0 HG LEU A -4 -15.877 -8.078 8.448 1.00 0.00 H new ATOM 0 HD11 LEU A -4 -17.737 -6.689 9.275 1.00 0.00 H new ATOM 0 HD12 LEU A -4 -16.162 -5.901 9.529 1.00 0.00 H new ATOM 0 HD13 LEU A -4 -17.221 -5.366 8.203 1.00 0.00 H new ATOM 0 HD21 LEU A -4 -18.081 -8.200 7.355 1.00 0.00 H new ATOM 0 HD22 LEU A -4 -17.578 -6.935 6.209 1.00 0.00 H new ATOM 0 HD23 LEU A -4 -16.757 -8.514 6.208 1.00 0.00 H new ATOM 259 N HIS A -3 -12.856 -8.410 7.620 1.00 0.00 N ATOM 260 CA HIS A -3 -12.192 -9.673 7.925 1.00 0.00 C ATOM 261 C HIS A -3 -12.836 -10.357 9.126 1.00 0.00 C ATOM 262 O HIS A -3 -12.172 -11.065 9.883 1.00 0.00 O ATOM 263 CB HIS A -3 -10.704 -9.430 8.187 1.00 0.00 C ATOM 264 CG HIS A -3 -9.884 -10.683 8.201 1.00 0.00 C ATOM 265 ND1 HIS A -3 -9.652 -11.418 9.345 1.00 0.00 N ATOM 266 CD2 HIS A -3 -9.238 -11.330 7.202 1.00 0.00 C ATOM 267 CE1 HIS A -3 -8.896 -12.460 9.049 1.00 0.00 C ATOM 268 NE2 HIS A -3 -8.631 -12.431 7.756 1.00 0.00 N ATOM 0 H HIS A -3 -13.052 -8.273 6.628 1.00 0.00 H new ATOM 0 HA HIS A -3 -12.301 -10.334 7.065 1.00 0.00 H new ATOM 0 HB2 HIS A -3 -10.314 -8.759 7.421 1.00 0.00 H new ATOM 0 HB3 HIS A -3 -10.591 -8.921 9.144 1.00 0.00 H new ATOM 0 HD1 HIS A -3 -10.008 -11.192 10.274 1.00 0.00 H new ATOM 0 HD2 HIS A -3 -9.206 -11.035 6.163 1.00 0.00 H new ATOM 0 HE1 HIS A -3 -8.553 -13.209 9.747 1.00 0.00 H new ATOM 277 N GLY A -2 -14.135 -10.137 9.290 1.00 0.00 N ATOM 278 CA GLY A -2 -14.857 -10.736 10.398 1.00 0.00 C ATOM 279 C GLY A -2 -15.725 -9.735 11.136 1.00 0.00 C ATOM 280 O GLY A -2 -15.922 -8.613 10.669 1.00 0.00 O ATOM 0 H GLY A -2 -14.702 -9.554 8.675 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -15.482 -11.547 10.024 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -14.145 -11.178 11.095 1.00 0.00 H new ATOM 284 N GLY A -1 -16.244 -10.142 12.290 1.00 0.00 N ATOM 285 CA GLY A -1 -17.089 -9.260 13.074 1.00 0.00 C ATOM 286 C GLY A -1 -16.295 -8.402 14.039 1.00 0.00 C ATOM 287 O GLY A -1 -15.808 -8.891 15.058 1.00 0.00 O ATOM 0 H GLY A -1 -16.095 -11.066 12.696 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -17.657 -8.616 12.403 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -17.811 -9.856 13.632 1.00 0.00 H new ATOM 291 N VAL A 1 -16.165 -7.120 13.717 1.00 0.00 N ATOM 292 CA VAL A 1 -15.424 -6.191 14.563 1.00 0.00 C ATOM 293 C VAL A 1 -16.083 -4.815 14.576 1.00 0.00 C ATOM 294 O VAL A 1 -16.618 -4.362 13.563 1.00 0.00 O ATOM 295 CB VAL A 1 -13.962 -6.050 14.095 1.00 0.00 C ATOM 296 CG1 VAL A 1 -13.902 -5.494 12.679 1.00 0.00 C ATOM 297 CG2 VAL A 1 -13.175 -5.170 15.054 1.00 0.00 C ATOM 0 H VAL A 1 -16.563 -6.700 12.877 1.00 0.00 H new ATOM 0 HA VAL A 1 -15.434 -6.602 15.572 1.00 0.00 H new ATOM 0 HB VAL A 1 -13.507 -7.040 14.090 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -12.861 -5.402 12.368 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -14.425 -6.168 12.001 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -14.376 -4.513 12.653 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -12.146 -5.083 14.706 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -13.629 -4.180 15.095 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -13.185 -5.616 16.049 1.00 0.00 H new ATOM 307 N ASN A 2 -16.041 -4.154 15.728 1.00 0.00 N ATOM 308 CA ASN A 2 -16.634 -2.831 15.873 1.00 0.00 C ATOM 309 C ASN A 2 -15.919 -2.029 16.957 1.00 0.00 C ATOM 310 O ASN A 2 -16.531 -1.604 17.937 1.00 0.00 O ATOM 311 CB ASN A 2 -18.123 -2.949 16.204 1.00 0.00 C ATOM 312 CG ASN A 2 -18.919 -1.748 15.731 1.00 0.00 C ATOM 313 OD1 ASN A 2 -18.594 -1.136 14.713 1.00 0.00 O ATOM 314 ND2 ASN A 2 -19.967 -1.405 16.469 1.00 0.00 N ATOM 0 H ASN A 2 -15.602 -4.514 16.575 1.00 0.00 H new ATOM 0 HA ASN A 2 -16.522 -2.304 14.925 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -18.524 -3.851 15.743 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -18.245 -3.060 17.281 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -20.540 -0.605 16.200 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -20.199 -1.941 17.305 1.00 0.00 H new ATOM 321 N TYR A 3 -14.618 -1.826 16.774 1.00 0.00 N ATOM 322 CA TYR A 3 -13.819 -1.075 17.735 1.00 0.00 C ATOM 323 C TYR A 3 -13.846 -1.745 19.106 1.00 0.00 C ATOM 324 O TYR A 3 -14.584 -1.328 19.999 1.00 0.00 O ATOM 325 CB TYR A 3 -14.331 0.363 17.843 1.00 0.00 C ATOM 326 CG TYR A 3 -13.229 1.398 17.891 1.00 0.00 C ATOM 327 CD1 TYR A 3 -12.095 1.197 18.667 1.00 0.00 C ATOM 328 CD2 TYR A 3 -13.324 2.576 17.160 1.00 0.00 C ATOM 329 CE1 TYR A 3 -11.086 2.140 18.712 1.00 0.00 C ATOM 330 CE2 TYR A 3 -12.320 3.523 17.201 1.00 0.00 C ATOM 331 CZ TYR A 3 -11.203 3.302 17.978 1.00 0.00 C ATOM 332 OH TYR A 3 -10.200 4.243 18.022 1.00 0.00 O ATOM 0 H TYR A 3 -14.095 -2.171 15.969 1.00 0.00 H new ATOM 0 HA TYR A 3 -12.788 -1.059 17.380 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -14.979 0.574 16.992 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -14.943 0.455 18.740 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -12.000 0.289 19.244 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -14.197 2.754 16.550 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -10.210 1.968 19.319 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.409 4.433 16.627 1.00 0.00 H new ATOM 0 HH TYR A 3 -10.437 5.001 17.448 1.00 0.00 H new ATOM 342 N GLY A 4 -13.036 -2.788 19.266 1.00 0.00 N ATOM 343 CA GLY A 4 -12.983 -3.498 20.529 1.00 0.00 C ATOM 344 C GLY A 4 -11.859 -3.010 21.422 1.00 0.00 C ATOM 345 O GLY A 4 -11.970 -1.958 22.051 1.00 0.00 O ATOM 0 H GLY A 4 -12.416 -3.153 18.543 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.934 -3.379 21.049 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.855 -4.563 20.338 1.00 0.00 H new ATOM 349 N ASN A 5 -10.773 -3.774 21.476 1.00 0.00 N ATOM 350 CA ASN A 5 -9.624 -3.413 22.298 1.00 0.00 C ATOM 351 C ASN A 5 -8.481 -2.878 21.440 1.00 0.00 C ATOM 352 O ASN A 5 -7.597 -2.179 21.934 1.00 0.00 O ATOM 353 CB ASN A 5 -9.149 -4.621 23.107 1.00 0.00 C ATOM 354 CG ASN A 5 -8.456 -4.219 24.394 1.00 0.00 C ATOM 355 OD1 ASN A 5 -9.046 -3.557 25.249 1.00 0.00 O ATOM 356 ND2 ASN A 5 -7.198 -4.616 24.539 1.00 0.00 N ATOM 0 H ASN A 5 -10.665 -4.647 20.960 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.936 -2.625 22.983 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.003 -5.257 23.341 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.466 -5.215 22.500 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.681 -4.374 25.384 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.748 -5.163 23.805 1.00 0.00 H new ATOM 363 N GLY A 6 -8.505 -3.211 20.155 1.00 0.00 N ATOM 364 CA GLY A 6 -7.466 -2.755 19.250 1.00 0.00 C ATOM 365 C GLY A 6 -7.143 -3.773 18.175 1.00 0.00 C ATOM 366 O GLY A 6 -5.974 -4.035 17.894 1.00 0.00 O ATOM 0 H GLY A 6 -9.226 -3.789 19.723 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -7.781 -1.823 18.780 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -6.563 -2.535 19.820 1.00 0.00 H new ATOM 370 N VAL A 7 -8.186 -4.346 17.573 1.00 0.00 N ATOM 371 CA VAL A 7 -8.032 -5.343 16.516 1.00 0.00 C ATOM 372 C VAL A 7 -6.903 -6.330 16.827 1.00 0.00 C ATOM 373 O VAL A 7 -6.474 -6.457 17.974 1.00 0.00 O ATOM 374 CB VAL A 7 -7.803 -4.667 15.140 1.00 0.00 C ATOM 375 CG1 VAL A 7 -6.324 -4.430 14.852 1.00 0.00 C ATOM 376 CG2 VAL A 7 -8.451 -5.480 14.027 1.00 0.00 C ATOM 0 H VAL A 7 -9.156 -4.133 17.804 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.963 -5.909 16.470 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.280 -3.688 15.178 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.215 -3.955 13.877 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.903 -3.782 15.621 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.796 -5.384 14.852 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.279 -4.988 13.070 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.016 -6.479 14.005 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.523 -5.555 14.208 1.00 0.00 H new ATOM 386 N SER A 8 -6.431 -7.023 15.799 1.00 0.00 N ATOM 387 CA SER A 8 -5.357 -7.996 15.958 1.00 0.00 C ATOM 388 C SER A 8 -4.374 -7.917 14.795 1.00 0.00 C ATOM 389 O SER A 8 -4.745 -8.124 13.640 1.00 0.00 O ATOM 390 CB SER A 8 -5.934 -9.409 16.059 1.00 0.00 C ATOM 391 OG SER A 8 -6.401 -9.678 17.370 1.00 0.00 O ATOM 0 H SER A 8 -6.776 -6.929 14.844 1.00 0.00 H new ATOM 0 HA SER A 8 -4.821 -7.762 16.878 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.752 -9.522 15.348 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.171 -10.137 15.785 1.00 0.00 H new ATOM 0 HG SER A 8 -6.546 -8.833 17.845 1.00 0.00 H new ATOM 397 N CYS A 9 -3.117 -7.610 15.107 1.00 0.00 N ATOM 398 CA CYS A 9 -2.076 -7.499 14.086 1.00 0.00 C ATOM 399 C CYS A 9 -2.084 -8.704 13.148 1.00 0.00 C ATOM 400 O CYS A 9 -2.816 -9.670 13.365 1.00 0.00 O ATOM 401 CB CYS A 9 -0.691 -7.364 14.725 1.00 0.00 C ATOM 402 SG CYS A 9 -0.457 -8.324 16.256 1.00 0.00 S ATOM 0 H CYS A 9 -2.794 -7.434 16.058 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.293 -6.601 13.507 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.060 -7.676 13.999 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.508 -6.312 14.941 1.00 0.00 H new ATOM 407 N SER A 10 -1.258 -8.637 12.110 1.00 0.00 N ATOM 408 CA SER A 10 -1.154 -9.717 11.137 1.00 0.00 C ATOM 409 C SER A 10 0.075 -9.528 10.256 1.00 0.00 C ATOM 410 O SER A 10 0.132 -8.607 9.441 1.00 0.00 O ATOM 411 CB SER A 10 -2.409 -9.784 10.269 1.00 0.00 C ATOM 412 OG SER A 10 -2.813 -8.492 9.852 1.00 0.00 O ATOM 0 H SER A 10 -0.648 -7.842 11.921 1.00 0.00 H new ATOM 0 HA SER A 10 -1.055 -10.655 11.684 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.217 -10.408 9.396 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.216 -10.258 10.828 1.00 0.00 H new ATOM 0 HG SER A 10 -2.033 -7.993 9.531 1.00 0.00 H new ATOM 418 N LYS A 11 1.055 -10.407 10.428 1.00 0.00 N ATOM 419 CA LYS A 11 2.289 -10.345 9.654 1.00 0.00 C ATOM 420 C LYS A 11 3.034 -9.029 9.869 1.00 0.00 C ATOM 421 O LYS A 11 4.035 -8.758 9.207 1.00 0.00 O ATOM 422 CB LYS A 11 1.967 -10.521 8.178 1.00 0.00 C ATOM 423 CG LYS A 11 3.078 -11.184 7.381 1.00 0.00 C ATOM 424 CD LYS A 11 2.748 -12.635 7.066 1.00 0.00 C ATOM 425 CE LYS A 11 3.980 -13.399 6.611 1.00 0.00 C ATOM 426 NZ LYS A 11 4.773 -13.910 7.764 1.00 0.00 N ATOM 0 H LYS A 11 1.019 -11.174 11.099 1.00 0.00 H new ATOM 0 HA LYS A 11 2.941 -11.149 9.996 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.059 -11.117 8.083 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.754 -9.544 7.743 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.238 -10.636 6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.010 -11.136 7.944 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.327 -13.114 7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.985 -12.675 6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.677 -14.234 5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.606 -12.749 6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.605 -14.425 7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.084 -13.111 8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.184 -14.551 8.333 1.00 0.00 H new ATOM 440 N THR A 12 2.542 -8.215 10.794 1.00 0.00 N ATOM 441 CA THR A 12 3.156 -6.934 11.090 1.00 0.00 C ATOM 442 C THR A 12 2.887 -6.535 12.542 1.00 0.00 C ATOM 443 O THR A 12 2.025 -7.113 13.203 1.00 0.00 O ATOM 444 CB THR A 12 2.628 -5.883 10.107 1.00 0.00 C ATOM 445 OG1 THR A 12 3.543 -5.700 9.041 1.00 0.00 O ATOM 446 CG2 THR A 12 2.371 -4.522 10.721 1.00 0.00 C ATOM 0 H THR A 12 1.715 -8.424 11.353 1.00 0.00 H new ATOM 0 HA THR A 12 4.237 -7.007 10.971 1.00 0.00 H new ATOM 0 HB THR A 12 1.673 -6.281 9.765 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.929 -6.565 8.790 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.000 -3.841 9.955 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.629 -4.615 11.514 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.299 -4.129 11.136 1.00 0.00 H new ATOM 454 N LYS A 13 3.629 -5.546 13.032 1.00 0.00 N ATOM 455 CA LYS A 13 3.464 -5.073 14.404 1.00 0.00 C ATOM 456 C LYS A 13 2.008 -4.711 14.689 1.00 0.00 C ATOM 457 O LYS A 13 1.255 -4.362 13.780 1.00 0.00 O ATOM 458 CB LYS A 13 4.366 -3.862 14.658 1.00 0.00 C ATOM 459 CG LYS A 13 5.231 -4.000 15.901 1.00 0.00 C ATOM 460 CD LYS A 13 6.200 -5.164 15.780 1.00 0.00 C ATOM 461 CE LYS A 13 6.530 -5.760 17.140 1.00 0.00 C ATOM 462 NZ LYS A 13 7.253 -4.792 18.010 1.00 0.00 N ATOM 0 H LYS A 13 4.349 -5.057 12.501 1.00 0.00 H new ATOM 0 HA LYS A 13 3.752 -5.880 15.077 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.010 -3.711 13.792 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.746 -2.971 14.754 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.788 -3.077 16.062 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.595 -4.145 16.774 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.768 -5.933 15.140 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.117 -4.826 15.298 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.609 -6.073 17.632 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.140 -6.654 17.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.519 -5.258 18.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.110 -4.461 17.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.635 -3.981 18.214 1.00 0.00 H new ATOM 476 N CYS A 14 1.618 -4.801 15.958 1.00 0.00 N ATOM 477 CA CYS A 14 0.251 -4.485 16.364 1.00 0.00 C ATOM 478 C CYS A 14 0.173 -3.081 16.958 1.00 0.00 C ATOM 479 O CYS A 14 -0.566 -2.844 17.914 1.00 0.00 O ATOM 480 CB CYS A 14 -0.268 -5.509 17.385 1.00 0.00 C ATOM 481 SG CYS A 14 0.649 -7.088 17.426 1.00 0.00 S ATOM 0 H CYS A 14 2.229 -5.090 16.722 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.377 -4.527 15.474 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.234 -5.060 18.378 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.315 -5.719 17.167 1.00 0.00 H new ATOM 486 N SER A 15 0.941 -2.155 16.392 1.00 0.00 N ATOM 487 CA SER A 15 0.955 -0.779 16.874 1.00 0.00 C ATOM 488 C SER A 15 1.055 0.210 15.716 1.00 0.00 C ATOM 489 O SER A 15 1.655 -0.087 14.682 1.00 0.00 O ATOM 490 CB SER A 15 2.122 -0.568 17.842 1.00 0.00 C ATOM 491 OG SER A 15 1.673 -0.550 19.186 1.00 0.00 O ATOM 0 H SER A 15 1.560 -2.332 15.601 1.00 0.00 H new ATOM 0 HA SER A 15 0.017 -0.598 17.398 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.856 -1.363 17.711 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.625 0.371 17.611 1.00 0.00 H new ATOM 0 HG SER A 15 2.437 -0.416 19.784 1.00 0.00 H new ATOM 497 N VAL A 16 0.465 1.386 15.899 1.00 0.00 N ATOM 498 CA VAL A 16 0.487 2.424 14.874 1.00 0.00 C ATOM 499 C VAL A 16 1.636 3.402 15.111 1.00 0.00 C ATOM 500 O VAL A 16 2.163 3.494 16.220 1.00 0.00 O ATOM 501 CB VAL A 16 -0.845 3.199 14.834 1.00 0.00 C ATOM 502 CG1 VAL A 16 -1.098 3.906 16.159 1.00 0.00 C ATOM 503 CG2 VAL A 16 -0.856 4.190 13.680 1.00 0.00 C ATOM 0 H VAL A 16 -0.035 1.645 16.749 1.00 0.00 H new ATOM 0 HA VAL A 16 0.633 1.927 13.915 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.651 2.483 14.674 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.043 4.447 16.108 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.144 3.170 16.961 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.288 4.609 16.357 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.805 4.726 13.670 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.039 4.901 13.803 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.732 3.654 12.739 1.00 0.00 H new ATOM 513 N ASN A 17 2.019 4.128 14.066 1.00 0.00 N ATOM 514 CA ASN A 17 3.105 5.096 14.165 1.00 0.00 C ATOM 515 C ASN A 17 3.327 5.799 12.829 1.00 0.00 C ATOM 516 O ASN A 17 3.993 5.268 11.941 1.00 0.00 O ATOM 517 CB ASN A 17 4.396 4.405 14.615 1.00 0.00 C ATOM 518 CG ASN A 17 5.012 5.067 15.833 1.00 0.00 C ATOM 519 OD1 ASN A 17 4.667 6.196 16.182 1.00 0.00 O ATOM 520 ND2 ASN A 17 5.929 4.363 16.487 1.00 0.00 N ATOM 0 H ASN A 17 1.594 4.064 13.141 1.00 0.00 H new ATOM 0 HA ASN A 17 2.827 5.844 14.908 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.186 3.360 14.840 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.115 4.416 13.796 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.378 4.755 17.315 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.184 3.431 16.162 1.00 0.00 H new ATOM 527 N TRP A 18 2.762 6.994 12.696 1.00 0.00 N ATOM 528 CA TRP A 18 2.894 7.770 11.469 1.00 0.00 C ATOM 529 C TRP A 18 4.295 8.365 11.321 1.00 0.00 C ATOM 530 O TRP A 18 4.597 9.007 10.316 1.00 0.00 O ATOM 531 CB TRP A 18 1.847 8.885 11.430 1.00 0.00 C ATOM 532 CG TRP A 18 1.312 9.145 10.054 1.00 0.00 C ATOM 533 CD1 TRP A 18 1.980 8.997 8.873 1.00 0.00 C ATOM 534 CD2 TRP A 18 -0.005 9.598 9.717 1.00 0.00 C ATOM 535 NE1 TRP A 18 1.161 9.331 7.823 1.00 0.00 N ATOM 536 CE2 TRP A 18 -0.063 9.702 8.314 1.00 0.00 C ATOM 537 CE3 TRP A 18 -1.140 9.924 10.464 1.00 0.00 C ATOM 538 CZ2 TRP A 18 -1.211 10.120 7.645 1.00 0.00 C ATOM 539 CZ3 TRP A 18 -2.278 10.339 9.799 1.00 0.00 C ATOM 540 CH2 TRP A 18 -2.307 10.432 8.402 1.00 0.00 C ATOM 0 H TRP A 18 2.208 7.446 13.423 1.00 0.00 H new ATOM 0 HA TRP A 18 2.730 7.090 10.633 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.021 8.622 12.090 1.00 0.00 H new ATOM 0 HB3 TRP A 18 2.288 9.802 11.821 1.00 0.00 H new ATOM 0 HD1 TRP A 18 3.004 8.666 8.778 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.422 9.307 6.837 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.128 9.853 11.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.235 10.195 6.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.160 10.596 10.366 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.213 10.757 7.912 1.00 0.00 H new ATOM 551 N GLY A 19 5.150 8.149 12.319 1.00 0.00 N ATOM 552 CA GLY A 19 6.505 8.668 12.261 1.00 0.00 C ATOM 553 C GLY A 19 7.533 7.556 12.203 1.00 0.00 C ATOM 554 O GLY A 19 8.400 7.537 11.326 1.00 0.00 O ATOM 0 H GLY A 19 4.928 7.624 13.165 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.612 9.307 11.385 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.693 9.291 13.135 1.00 0.00 H new ATOM 558 N GLN A 20 7.431 6.617 13.135 1.00 0.00 N ATOM 559 CA GLN A 20 8.354 5.493 13.180 1.00 0.00 C ATOM 560 C GLN A 20 8.292 4.704 11.880 1.00 0.00 C ATOM 561 O GLN A 20 9.259 4.680 11.118 1.00 0.00 O ATOM 562 CB GLN A 20 8.030 4.583 14.367 1.00 0.00 C ATOM 563 CG GLN A 20 9.214 3.755 14.840 1.00 0.00 C ATOM 564 CD GLN A 20 9.019 3.206 16.240 1.00 0.00 C ATOM 565 OE1 GLN A 20 8.717 3.949 17.174 1.00 0.00 O ATOM 566 NE2 GLN A 20 9.191 1.898 16.392 1.00 0.00 N ATOM 0 H GLN A 20 6.721 6.612 13.867 1.00 0.00 H new ATOM 0 HA GLN A 20 9.365 5.881 13.305 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.671 5.194 15.195 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.217 3.913 14.089 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.374 2.928 14.148 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.114 4.369 14.816 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.441 1.320 15.590 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.073 1.471 17.311 1.00 0.00 H new ATOM 575 N ALA A 21 7.154 4.061 11.618 1.00 0.00 N ATOM 576 CA ALA A 21 7.007 3.286 10.393 1.00 0.00 C ATOM 577 C ALA A 21 7.049 4.151 9.150 1.00 0.00 C ATOM 578 O ALA A 21 7.046 3.651 8.025 1.00 0.00 O ATOM 579 CB ALA A 21 5.767 2.415 10.418 1.00 0.00 C ATOM 0 H ALA A 21 6.336 4.062 12.227 1.00 0.00 H new ATOM 0 HA ALA A 21 7.872 2.624 10.347 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.697 1.855 9.486 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.828 1.720 11.255 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.883 3.043 10.531 1.00 0.00 H new ATOM 585 N PHE A 22 7.144 5.441 9.360 1.00 0.00 N ATOM 586 CA PHE A 22 7.255 6.380 8.261 1.00 0.00 C ATOM 587 C PHE A 22 8.648 6.230 7.693 1.00 0.00 C ATOM 588 O PHE A 22 8.852 6.186 6.479 1.00 0.00 O ATOM 589 CB PHE A 22 7.014 7.818 8.722 1.00 0.00 C ATOM 590 CG PHE A 22 7.025 8.818 7.600 1.00 0.00 C ATOM 591 CD1 PHE A 22 5.946 8.928 6.739 1.00 0.00 C ATOM 592 CD2 PHE A 22 8.118 9.649 7.408 1.00 0.00 C ATOM 593 CE1 PHE A 22 5.955 9.847 5.707 1.00 0.00 C ATOM 594 CE2 PHE A 22 8.133 10.570 6.378 1.00 0.00 C ATOM 595 CZ PHE A 22 7.051 10.668 5.526 1.00 0.00 C ATOM 0 H PHE A 22 7.147 5.870 10.285 1.00 0.00 H new ATOM 0 HA PHE A 22 6.497 6.167 7.507 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.054 7.870 9.235 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.779 8.091 9.449 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.087 8.288 6.876 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.967 9.576 8.071 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.107 9.923 5.043 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.990 11.212 6.240 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.062 11.386 4.719 1.00 0.00 H new ATOM 605 N GLN A 23 9.601 6.095 8.608 1.00 0.00 N ATOM 606 CA GLN A 23 10.989 5.879 8.248 1.00 0.00 C ATOM 607 C GLN A 23 11.158 4.445 7.745 1.00 0.00 C ATOM 608 O GLN A 23 12.094 4.136 7.008 1.00 0.00 O ATOM 609 CB GLN A 23 11.890 6.128 9.462 1.00 0.00 C ATOM 610 CG GLN A 23 12.609 7.466 9.420 1.00 0.00 C ATOM 611 CD GLN A 23 13.941 7.392 8.699 1.00 0.00 C ATOM 612 OE1 GLN A 23 15.000 7.392 9.326 1.00 0.00 O ATOM 613 NE2 GLN A 23 13.894 7.328 7.373 1.00 0.00 N ATOM 0 H GLN A 23 9.431 6.133 9.613 1.00 0.00 H new ATOM 0 HA GLN A 23 11.276 6.574 7.459 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.287 6.077 10.368 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.629 5.329 9.526 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.973 8.200 8.925 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.771 7.819 10.438 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.994 7.331 6.894 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.758 7.276 6.834 1.00 0.00 H new ATOM 622 N GLU A 24 10.225 3.574 8.151 1.00 0.00 N ATOM 623 CA GLU A 24 10.243 2.174 7.747 1.00 0.00 C ATOM 624 C GLU A 24 9.963 2.037 6.255 1.00 0.00 C ATOM 625 O GLU A 24 10.524 1.171 5.584 1.00 0.00 O ATOM 626 CB GLU A 24 9.206 1.376 8.541 1.00 0.00 C ATOM 627 CG GLU A 24 9.660 1.019 9.947 1.00 0.00 C ATOM 628 CD GLU A 24 10.928 0.189 9.956 1.00 0.00 C ATOM 629 OE1 GLU A 24 12.024 0.779 9.855 1.00 0.00 O ATOM 630 OE2 GLU A 24 10.825 -1.051 10.066 1.00 0.00 O ATOM 0 H GLU A 24 9.447 3.822 8.762 1.00 0.00 H new ATOM 0 HA GLU A 24 11.236 1.777 7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.284 1.954 8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.973 0.459 8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.825 1.934 10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.866 0.469 10.453 1.00 0.00 H new ATOM 637 N ARG A 25 9.089 2.901 5.744 1.00 0.00 N ATOM 638 CA ARG A 25 8.727 2.881 4.330 1.00 0.00 C ATOM 639 C ARG A 25 9.964 2.966 3.444 1.00 0.00 C ATOM 640 O ARG A 25 9.972 2.464 2.321 1.00 0.00 O ATOM 641 CB ARG A 25 7.772 4.033 4.013 1.00 0.00 C ATOM 642 CG ARG A 25 6.308 3.687 4.237 1.00 0.00 C ATOM 643 CD ARG A 25 5.405 4.880 3.968 1.00 0.00 C ATOM 644 NE ARG A 25 4.988 5.540 5.202 1.00 0.00 N ATOM 645 CZ ARG A 25 4.038 5.071 6.008 1.00 0.00 C ATOM 646 NH1 ARG A 25 3.404 3.944 5.712 1.00 0.00 N ATOM 647 NH2 ARG A 25 3.721 5.732 7.113 1.00 0.00 N ATOM 0 H ARG A 25 8.619 3.624 6.289 1.00 0.00 H new ATOM 0 HA ARG A 25 8.226 1.935 4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.033 4.891 4.632 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.911 4.334 2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.025 2.861 3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.167 3.346 5.263 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.929 5.595 3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.524 4.551 3.417 1.00 0.00 H new ATOM 0 HE ARG A 25 5.451 6.411 5.461 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.644 3.432 4.863 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.677 3.590 6.333 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.205 6.599 7.345 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.993 5.373 7.731 1.00 0.00 H new ATOM 661 N TYR A 26 11.007 3.598 3.962 1.00 0.00 N ATOM 662 CA TYR A 26 12.255 3.744 3.224 1.00 0.00 C ATOM 663 C TYR A 26 12.890 2.380 2.982 1.00 0.00 C ATOM 664 O TYR A 26 13.274 2.051 1.860 1.00 0.00 O ATOM 665 CB TYR A 26 13.224 4.645 3.992 1.00 0.00 C ATOM 666 CG TYR A 26 14.265 5.304 3.114 1.00 0.00 C ATOM 667 CD1 TYR A 26 13.892 6.081 2.025 1.00 0.00 C ATOM 668 CD2 TYR A 26 15.620 5.149 3.377 1.00 0.00 C ATOM 669 CE1 TYR A 26 14.840 6.685 1.222 1.00 0.00 C ATOM 670 CE2 TYR A 26 16.575 5.751 2.578 1.00 0.00 C ATOM 671 CZ TYR A 26 16.179 6.517 1.502 1.00 0.00 C ATOM 672 OH TYR A 26 17.127 7.117 0.705 1.00 0.00 O ATOM 0 H TYR A 26 11.015 4.019 4.891 1.00 0.00 H new ATOM 0 HA TYR A 26 12.035 4.205 2.261 1.00 0.00 H new ATOM 0 HB2 TYR A 26 12.656 5.418 4.509 1.00 0.00 H new ATOM 0 HB3 TYR A 26 13.728 4.054 4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 26 12.844 6.215 1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 26 15.933 4.549 4.219 1.00 0.00 H new ATOM 0 HE1 TYR A 26 14.533 7.286 0.379 1.00 0.00 H new ATOM 0 HE2 TYR A 26 17.625 5.622 2.796 1.00 0.00 H new ATOM 0 HH TYR A 26 18.022 6.899 1.040 1.00 0.00 H new ATOM 682 N THR A 27 12.990 1.589 4.045 1.00 0.00 N ATOM 683 CA THR A 27 13.570 0.255 3.954 1.00 0.00 C ATOM 684 C THR A 27 12.652 -0.677 3.170 1.00 0.00 C ATOM 685 O THR A 27 13.112 -1.497 2.377 1.00 0.00 O ATOM 686 CB THR A 27 13.820 -0.310 5.354 1.00 0.00 C ATOM 687 OG1 THR A 27 14.700 0.529 6.082 1.00 0.00 O ATOM 688 CG2 THR A 27 14.416 -1.701 5.343 1.00 0.00 C ATOM 0 H THR A 27 12.677 1.849 4.980 1.00 0.00 H new ATOM 0 HA THR A 27 14.521 0.329 3.427 1.00 0.00 H new ATOM 0 HB THR A 27 12.838 -0.359 5.825 1.00 0.00 H new ATOM 0 HG1 THR A 27 14.847 0.153 6.975 1.00 0.00 H new ATOM 0 HG21 THR A 27 14.567 -2.040 6.368 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.738 -2.384 4.831 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.373 -1.683 4.822 1.00 0.00 H new ATOM 696 N ALA A 28 11.349 -0.540 3.396 1.00 0.00 N ATOM 697 CA ALA A 28 10.362 -1.363 2.710 1.00 0.00 C ATOM 698 C ALA A 28 10.371 -1.089 1.212 1.00 0.00 C ATOM 699 O ALA A 28 10.133 -1.987 0.404 1.00 0.00 O ATOM 700 CB ALA A 28 8.977 -1.115 3.287 1.00 0.00 C ATOM 0 H ALA A 28 10.953 0.135 4.050 1.00 0.00 H new ATOM 0 HA ALA A 28 10.624 -2.410 2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.249 -1.736 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.974 -1.366 4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.713 -0.065 3.162 1.00 0.00 H new ATOM 706 N GLY A 29 10.650 0.159 0.845 1.00 0.00 N ATOM 707 CA GLY A 29 10.688 0.529 -0.556 1.00 0.00 C ATOM 708 C GLY A 29 11.815 -0.155 -1.300 1.00 0.00 C ATOM 709 O GLY A 29 11.601 -0.751 -2.356 1.00 0.00 O ATOM 0 H GLY A 29 10.850 0.920 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.738 0.271 -1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.802 1.610 -0.641 1.00 0.00 H new ATOM 713 N ILE A 30 13.021 -0.074 -0.746 1.00 0.00 N ATOM 714 CA ILE A 30 14.186 -0.695 -1.362 1.00 0.00 C ATOM 715 C ILE A 30 13.989 -2.202 -1.498 1.00 0.00 C ATOM 716 O ILE A 30 14.507 -2.823 -2.426 1.00 0.00 O ATOM 717 CB ILE A 30 15.467 -0.423 -0.550 1.00 0.00 C ATOM 718 CG1 ILE A 30 15.630 1.079 -0.303 1.00 0.00 C ATOM 719 CG2 ILE A 30 16.684 -0.983 -1.273 1.00 0.00 C ATOM 720 CD1 ILE A 30 16.913 1.441 0.415 1.00 0.00 C ATOM 0 H ILE A 30 13.216 0.415 0.128 1.00 0.00 H new ATOM 0 HA ILE A 30 14.298 -0.252 -2.352 1.00 0.00 H new ATOM 0 HB ILE A 30 15.381 -0.924 0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 30 15.599 1.601 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.783 1.436 0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 30 17.580 -0.782 -0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 30 16.568 -2.059 -1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.777 -0.509 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 30 16.959 2.521 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 30 16.938 0.948 1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.767 1.115 -0.179 1.00 0.00 H new ATOM 732 N ASN A 31 13.230 -2.783 -0.572 1.00 0.00 N ATOM 733 CA ASN A 31 12.960 -4.216 -0.595 1.00 0.00 C ATOM 734 C ASN A 31 12.328 -4.620 -1.922 1.00 0.00 C ATOM 735 O ASN A 31 12.805 -5.532 -2.597 1.00 0.00 O ATOM 736 CB ASN A 31 12.038 -4.603 0.565 1.00 0.00 C ATOM 737 CG ASN A 31 12.807 -5.098 1.773 1.00 0.00 C ATOM 738 OD1 ASN A 31 12.475 -6.132 2.354 1.00 0.00 O ATOM 739 ND2 ASN A 31 13.842 -4.362 2.159 1.00 0.00 N ATOM 0 H ASN A 31 12.792 -2.283 0.202 1.00 0.00 H new ATOM 0 HA ASN A 31 13.906 -4.745 -0.484 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.435 -3.741 0.850 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.348 -5.379 0.234 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.397 -4.646 2.966 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.082 -3.512 1.649 1.00 0.00 H new ATOM 746 N SER A 32 11.258 -3.925 -2.297 1.00 0.00 N ATOM 747 CA SER A 32 10.571 -4.205 -3.551 1.00 0.00 C ATOM 748 C SER A 32 11.518 -3.999 -4.727 1.00 0.00 C ATOM 749 O SER A 32 11.435 -4.697 -5.738 1.00 0.00 O ATOM 750 CB SER A 32 9.344 -3.304 -3.701 1.00 0.00 C ATOM 751 OG SER A 32 8.655 -3.578 -4.909 1.00 0.00 O ATOM 0 H SER A 32 10.850 -3.166 -1.751 1.00 0.00 H new ATOM 0 HA SER A 32 10.241 -5.244 -3.541 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.674 -3.453 -2.854 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.652 -2.259 -3.683 1.00 0.00 H new ATOM 0 HG SER A 32 7.874 -2.990 -4.981 1.00 0.00 H new ATOM 757 N PHE A 33 12.425 -3.037 -4.580 1.00 0.00 N ATOM 758 CA PHE A 33 13.399 -2.738 -5.619 1.00 0.00 C ATOM 759 C PHE A 33 14.293 -3.950 -5.871 1.00 0.00 C ATOM 760 O PHE A 33 14.388 -4.444 -6.997 1.00 0.00 O ATOM 761 CB PHE A 33 14.236 -1.512 -5.214 1.00 0.00 C ATOM 762 CG PHE A 33 15.702 -1.617 -5.544 1.00 0.00 C ATOM 763 CD1 PHE A 33 16.148 -1.463 -6.847 1.00 0.00 C ATOM 764 CD2 PHE A 33 16.631 -1.869 -4.546 1.00 0.00 C ATOM 765 CE1 PHE A 33 17.493 -1.560 -7.150 1.00 0.00 C ATOM 766 CE2 PHE A 33 17.977 -1.967 -4.843 1.00 0.00 C ATOM 767 CZ PHE A 33 18.409 -1.811 -6.146 1.00 0.00 C ATOM 0 H PHE A 33 12.504 -2.451 -3.748 1.00 0.00 H new ATOM 0 HA PHE A 33 12.874 -2.507 -6.546 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.828 -0.630 -5.708 1.00 0.00 H new ATOM 0 HB3 PHE A 33 14.129 -1.354 -4.141 1.00 0.00 H new ATOM 0 HD1 PHE A 33 15.436 -1.265 -7.635 1.00 0.00 H new ATOM 0 HD2 PHE A 33 16.299 -1.990 -3.525 1.00 0.00 H new ATOM 0 HE1 PHE A 33 17.828 -1.440 -8.170 1.00 0.00 H new ATOM 0 HE2 PHE A 33 18.691 -2.165 -4.057 1.00 0.00 H new ATOM 0 HZ PHE A 33 19.461 -1.885 -6.380 1.00 0.00 H new ATOM 777 N VAL A 34 14.939 -4.433 -4.813 1.00 0.00 N ATOM 778 CA VAL A 34 15.817 -5.592 -4.920 1.00 0.00 C ATOM 779 C VAL A 34 15.076 -6.771 -5.534 1.00 0.00 C ATOM 780 O VAL A 34 15.352 -7.157 -6.665 1.00 0.00 O ATOM 781 CB VAL A 34 16.385 -6.003 -3.548 1.00 0.00 C ATOM 782 CG1 VAL A 34 17.427 -7.099 -3.708 1.00 0.00 C ATOM 783 CG2 VAL A 34 16.974 -4.797 -2.832 1.00 0.00 C ATOM 0 H VAL A 34 14.871 -4.040 -3.874 1.00 0.00 H new ATOM 0 HA VAL A 34 16.648 -5.308 -5.566 1.00 0.00 H new ATOM 0 HB VAL A 34 15.570 -6.395 -2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.817 -7.376 -2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 34 16.969 -7.970 -4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.243 -6.737 -4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.370 -5.106 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 34 17.777 -4.373 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 34 16.197 -4.047 -2.683 1.00 0.00 H new ATOM 793 N SER A 35 14.142 -7.351 -4.785 1.00 0.00 N ATOM 794 CA SER A 35 13.389 -8.490 -5.261 1.00 0.00 C ATOM 795 C SER A 35 12.835 -8.265 -6.645 1.00 0.00 C ATOM 796 O SER A 35 13.086 -9.067 -7.544 1.00 0.00 O ATOM 797 CB SER A 35 12.247 -8.823 -4.294 1.00 0.00 C ATOM 798 OG SER A 35 11.134 -7.973 -4.510 1.00 0.00 O ATOM 0 H SER A 35 13.894 -7.044 -3.844 1.00 0.00 H new ATOM 0 HA SER A 35 14.080 -9.331 -5.310 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.946 -9.862 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.594 -8.719 -3.266 1.00 0.00 H new ATOM 0 HG SER A 35 10.418 -8.206 -3.883 1.00 0.00 H new ATOM 804 N GLY A 36 12.113 -7.178 -6.838 1.00 0.00 N ATOM 805 CA GLY A 36 11.586 -6.902 -8.160 1.00 0.00 C ATOM 806 C GLY A 36 12.572 -7.377 -9.205 1.00 0.00 C ATOM 807 O GLY A 36 12.211 -8.042 -10.176 1.00 0.00 O ATOM 0 H GLY A 36 11.883 -6.490 -6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.628 -7.404 -8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.404 -5.833 -8.275 1.00 0.00 H new ATOM 811 N VAL A 37 13.840 -7.057 -8.954 1.00 0.00 N ATOM 812 CA VAL A 37 14.930 -7.463 -9.805 1.00 0.00 C ATOM 813 C VAL A 37 15.536 -8.799 -9.362 1.00 0.00 C ATOM 814 O VAL A 37 15.411 -9.814 -10.048 1.00 0.00 O ATOM 815 CB VAL A 37 16.037 -6.389 -9.835 1.00 0.00 C ATOM 816 CG1 VAL A 37 17.131 -6.769 -10.822 1.00 0.00 C ATOM 817 CG2 VAL A 37 15.448 -5.030 -10.184 1.00 0.00 C ATOM 0 H VAL A 37 14.130 -6.505 -8.147 1.00 0.00 H new ATOM 0 HA VAL A 37 14.515 -7.586 -10.805 1.00 0.00 H new ATOM 0 HB VAL A 37 16.483 -6.328 -8.842 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.901 -5.997 -10.827 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.573 -7.721 -10.527 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.704 -6.861 -11.821 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.242 -4.283 -10.201 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.975 -5.079 -11.165 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.705 -4.753 -9.436 1.00 0.00 H new ATOM 827 N ALA A 38 16.237 -8.762 -8.224 1.00 0.00 N ATOM 828 CA ALA A 38 16.924 -9.921 -7.677 1.00 0.00 C ATOM 829 C ALA A 38 16.044 -10.852 -6.856 1.00 0.00 C ATOM 830 O ALA A 38 15.707 -11.960 -7.272 1.00 0.00 O ATOM 831 CB ALA A 38 18.105 -9.466 -6.826 1.00 0.00 C ATOM 0 H ALA A 38 16.340 -7.919 -7.659 1.00 0.00 H new ATOM 0 HA ALA A 38 17.255 -10.499 -8.540 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.617 -10.338 -6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.798 -8.893 -7.442 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.745 -8.841 -6.009 1.00 0.00 H new ATOM 837 N SER A 39 15.745 -10.393 -5.648 1.00 0.00 N ATOM 838 CA SER A 39 14.979 -11.147 -4.667 1.00 0.00 C ATOM 839 C SER A 39 13.542 -11.461 -5.098 1.00 0.00 C ATOM 840 O SER A 39 12.758 -11.982 -4.305 1.00 0.00 O ATOM 841 CB SER A 39 15.006 -10.378 -3.352 1.00 0.00 C ATOM 842 OG SER A 39 15.182 -11.253 -2.250 1.00 0.00 O ATOM 0 H SER A 39 16.033 -9.472 -5.318 1.00 0.00 H new ATOM 0 HA SER A 39 15.449 -12.124 -4.557 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.814 -9.647 -3.372 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.076 -9.822 -3.234 1.00 0.00 H new ATOM 0 HG SER A 39 15.197 -10.734 -1.419 1.00 0.00 H new ATOM 848 N GLY A 40 13.193 -11.147 -6.344 1.00 0.00 N ATOM 849 CA GLY A 40 11.849 -11.413 -6.823 1.00 0.00 C ATOM 850 C GLY A 40 11.824 -12.424 -7.952 1.00 0.00 C ATOM 851 O GLY A 40 11.040 -12.296 -8.893 1.00 0.00 O ATOM 0 H GLY A 40 13.815 -10.715 -7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.239 -11.780 -5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.397 -10.481 -7.164 1.00 0.00 H new ATOM 855 N ALA A 41 12.684 -13.433 -7.859 1.00 0.00 N ATOM 856 CA ALA A 41 12.758 -14.471 -8.877 1.00 0.00 C ATOM 857 C ALA A 41 13.495 -15.698 -8.359 1.00 0.00 C ATOM 858 O ALA A 41 12.878 -16.667 -7.916 1.00 0.00 O ATOM 859 CB ALA A 41 13.423 -13.932 -10.137 1.00 0.00 C ATOM 0 H ALA A 41 13.340 -13.553 -7.087 1.00 0.00 H new ATOM 0 HA ALA A 41 11.741 -14.776 -9.125 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.471 -14.720 -10.889 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.843 -13.095 -10.525 1.00 0.00 H new ATOM 0 HB3 ALA A 41 14.432 -13.595 -9.900 1.00 0.00 H new ATOM 865 N GLY A 42 14.815 -15.647 -8.418 1.00 0.00 N ATOM 866 CA GLY A 42 15.626 -16.757 -7.952 1.00 0.00 C ATOM 867 C GLY A 42 16.413 -17.410 -9.071 1.00 0.00 C ATOM 868 O GLY A 42 17.563 -17.804 -8.883 1.00 0.00 O ATOM 0 H GLY A 42 15.344 -14.854 -8.781 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.316 -16.403 -7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.983 -17.501 -7.482 1.00 0.00 H new ATOM 872 N SER A 43 15.790 -17.524 -10.240 1.00 0.00 N ATOM 873 CA SER A 43 16.438 -18.135 -11.396 1.00 0.00 C ATOM 874 C SER A 43 17.091 -17.074 -12.276 1.00 0.00 C ATOM 875 O SER A 43 16.951 -17.097 -13.499 1.00 0.00 O ATOM 876 CB SER A 43 15.422 -18.939 -12.209 1.00 0.00 C ATOM 877 OG SER A 43 15.994 -20.141 -12.695 1.00 0.00 O ATOM 0 H SER A 43 14.838 -17.202 -10.412 1.00 0.00 H new ATOM 0 HA SER A 43 17.216 -18.808 -11.034 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.556 -19.170 -11.589 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.064 -18.339 -13.045 1.00 0.00 H new ATOM 0 HG SER A 43 15.324 -20.637 -13.210 1.00 0.00 H new ATOM 883 N ILE A 44 17.806 -16.145 -11.643 1.00 0.00 N ATOM 884 CA ILE A 44 18.489 -15.067 -12.357 1.00 0.00 C ATOM 885 C ILE A 44 17.604 -14.466 -13.450 1.00 0.00 C ATOM 886 O ILE A 44 18.050 -14.240 -14.575 1.00 0.00 O ATOM 887 CB ILE A 44 19.817 -15.556 -12.977 1.00 0.00 C ATOM 888 CG1 ILE A 44 20.591 -14.381 -13.580 1.00 0.00 C ATOM 889 CG2 ILE A 44 19.560 -16.629 -14.028 1.00 0.00 C ATOM 890 CD1 ILE A 44 21.788 -13.961 -12.754 1.00 0.00 C ATOM 0 H ILE A 44 17.928 -16.118 -10.631 1.00 0.00 H new ATOM 0 HA ILE A 44 18.707 -14.293 -11.621 1.00 0.00 H new ATOM 0 HB ILE A 44 20.423 -15.997 -12.186 1.00 0.00 H new ATOM 0 HG12 ILE A 44 20.927 -14.652 -14.581 1.00 0.00 H new ATOM 0 HG13 ILE A 44 19.918 -13.530 -13.689 1.00 0.00 H new ATOM 0 HG21 ILE A 44 20.509 -16.959 -14.451 1.00 0.00 H new ATOM 0 HG22 ILE A 44 19.055 -17.477 -13.566 1.00 0.00 H new ATOM 0 HG23 ILE A 44 18.932 -16.220 -14.820 1.00 0.00 H new ATOM 0 HD11 ILE A 44 22.290 -13.124 -13.240 1.00 0.00 H new ATOM 0 HD12 ILE A 44 21.457 -13.658 -11.761 1.00 0.00 H new ATOM 0 HD13 ILE A 44 22.481 -14.798 -12.666 1.00 0.00 H new ATOM 902 N GLY A 45 16.347 -14.209 -13.107 1.00 0.00 N ATOM 903 CA GLY A 45 15.419 -13.636 -14.064 1.00 0.00 C ATOM 904 C GLY A 45 14.875 -14.668 -15.034 1.00 0.00 C ATOM 905 O GLY A 45 13.874 -15.327 -14.751 1.00 0.00 O ATOM 0 H GLY A 45 15.954 -14.387 -12.183 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.590 -13.172 -13.529 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.920 -12.845 -14.623 1.00 0.00 H new ATOM 909 N ARG A 46 15.536 -14.809 -16.178 1.00 0.00 N ATOM 910 CA ARG A 46 15.112 -15.767 -17.192 1.00 0.00 C ATOM 911 C ARG A 46 16.318 -16.430 -17.851 1.00 0.00 C ATOM 912 O ARG A 46 17.117 -15.708 -18.482 1.00 0.00 O ATOM 913 CB ARG A 46 14.255 -15.073 -18.252 1.00 0.00 C ATOM 914 CG ARG A 46 12.827 -14.811 -17.802 1.00 0.00 C ATOM 915 CD ARG A 46 12.307 -13.487 -18.338 1.00 0.00 C ATOM 916 NE ARG A 46 10.911 -13.576 -18.758 1.00 0.00 N ATOM 917 CZ ARG A 46 10.118 -12.520 -18.928 1.00 0.00 C ATOM 918 NH1 ARG A 46 10.580 -11.294 -18.715 1.00 0.00 N ATOM 919 NH2 ARG A 46 8.861 -12.689 -19.312 1.00 0.00 N ATOM 920 OXT ARG A 46 16.453 -17.665 -17.729 1.00 0.00 O ATOM 0 H ARG A 46 16.367 -14.272 -16.426 1.00 0.00 H new ATOM 0 HA ARG A 46 14.518 -16.538 -16.702 1.00 0.00 H new ATOM 0 HB2 ARG A 46 14.722 -14.126 -18.522 1.00 0.00 H new ATOM 0 HB3 ARG A 46 14.237 -15.687 -19.152 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.183 -15.621 -18.144 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.783 -14.806 -16.713 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.406 -12.721 -17.569 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.920 -13.172 -19.182 1.00 0.00 H new ATOM 0 HE ARG A 46 10.520 -14.502 -18.931 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.547 -11.157 -18.420 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.968 -10.488 -18.847 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.500 -13.629 -19.478 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.254 -11.879 -19.442 1.00 0.00 H new TER 934 ARG A 46