USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 451 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 9 ASN : amide:sc= 0.0779 X(o=0.16,f=-0.15) USER MOD Set 1.2: A 19 THR OG1 : rot -123:sc= 0.0798 USER MOD Set 1.3: A 59 ASN : amide:sc= 0 X(o=0.16,f=-0.099) USER MOD Set 2.1: A 14 ASN : amide:sc= 0.911 K(o=1.4,f=-5.5!) USER MOD Set 2.2: A 16 SER OG : rot -170:sc= 0.495 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.0122 (180deg=-0.149) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0294 (180deg=-0.273) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.0451 K(o=-0.045,f=-1) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0826 USER MOD Single : A 28 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.42) USER MOD Single : A 30 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -43:sc= 0.0315 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.02 K(o=-0.02,f=-1.1) USER MOD Single : A 44 ASN : amide:sc= 0.42 K(o=0.42,f=-0.68) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc=-0.00868 X(o=-0.0087,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.585 3.166 -2.709 1.00 0.00 N ATOM 2 CA MET A 1 -27.215 2.699 -2.983 1.00 0.00 C ATOM 3 C MET A 1 -26.246 3.573 -2.205 1.00 0.00 C ATOM 4 O MET A 1 -26.213 4.791 -2.398 1.00 0.00 O ATOM 5 CB MET A 1 -26.888 2.717 -4.480 1.00 0.00 C ATOM 6 CG MET A 1 -27.840 1.822 -5.275 1.00 0.00 C ATOM 7 SD MET A 1 -27.502 1.677 -7.049 1.00 0.00 S ATOM 8 CE MET A 1 -27.613 3.407 -7.587 1.00 0.00 C ATOM 0 H1 MET A 1 -29.267 2.450 -3.032 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.702 3.319 -1.687 1.00 0.00 H new ATOM 0 H3 MET A 1 -28.755 4.059 -3.214 1.00 0.00 H new ATOM 0 HA MET A 1 -27.125 1.661 -2.663 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.950 3.739 -4.854 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.862 2.384 -4.633 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.817 0.823 -4.839 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.854 2.202 -5.149 1.00 0.00 H new ATOM 0 HE1 MET A 1 -27.586 3.452 -8.676 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.547 3.840 -7.229 1.00 0.00 H new ATOM 0 HE3 MET A 1 -26.773 3.969 -7.180 1.00 0.00 H new ATOM 18 N GLU A 2 -25.472 2.969 -1.310 1.00 0.00 N ATOM 19 CA GLU A 2 -24.507 3.635 -0.463 1.00 0.00 C ATOM 20 C GLU A 2 -23.207 2.855 -0.576 1.00 0.00 C ATOM 21 O GLU A 2 -23.162 1.658 -0.279 1.00 0.00 O ATOM 22 CB GLU A 2 -25.057 3.665 0.966 1.00 0.00 C ATOM 23 CG GLU A 2 -24.163 4.501 1.879 1.00 0.00 C ATOM 24 CD GLU A 2 -24.783 4.647 3.265 1.00 0.00 C ATOM 25 OE1 GLU A 2 -25.641 5.548 3.423 1.00 0.00 O ATOM 26 OE2 GLU A 2 -24.459 3.840 4.171 1.00 0.00 O ATOM 0 H GLU A 2 -25.506 1.962 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 2 -24.322 4.668 -0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -26.066 4.077 0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -25.129 2.649 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -23.183 4.032 1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -24.009 5.487 1.440 1.00 0.00 H new ATOM 33 N GLU A 3 -22.172 3.527 -1.056 1.00 0.00 N ATOM 34 CA GLU A 3 -20.829 3.010 -1.269 1.00 0.00 C ATOM 35 C GLU A 3 -19.839 4.089 -0.830 1.00 0.00 C ATOM 36 O GLU A 3 -20.201 5.271 -0.755 1.00 0.00 O ATOM 37 CB GLU A 3 -20.658 2.672 -2.758 1.00 0.00 C ATOM 38 CG GLU A 3 -21.662 1.591 -3.189 1.00 0.00 C ATOM 39 CD GLU A 3 -21.551 1.157 -4.646 1.00 0.00 C ATOM 40 OE1 GLU A 3 -20.766 1.746 -5.424 1.00 0.00 O ATOM 41 OE2 GLU A 3 -22.318 0.237 -5.006 1.00 0.00 O ATOM 0 H GLU A 3 -22.252 4.508 -1.324 1.00 0.00 H new ATOM 0 HA GLU A 3 -20.652 2.103 -0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -20.803 3.570 -3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -19.641 2.325 -2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -21.527 0.716 -2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -22.672 1.962 -3.011 1.00 0.00 H new ATOM 48 N VAL A 4 -18.596 3.711 -0.552 1.00 0.00 N ATOM 49 CA VAL A 4 -17.523 4.599 -0.111 1.00 0.00 C ATOM 50 C VAL A 4 -16.381 4.546 -1.137 1.00 0.00 C ATOM 51 O VAL A 4 -16.465 3.822 -2.133 1.00 0.00 O ATOM 52 CB VAL A 4 -17.128 4.287 1.356 1.00 0.00 C ATOM 53 CG1 VAL A 4 -18.356 4.222 2.287 1.00 0.00 C ATOM 54 CG2 VAL A 4 -16.336 2.986 1.550 1.00 0.00 C ATOM 0 H VAL A 4 -18.295 2.740 -0.630 1.00 0.00 H new ATOM 0 HA VAL A 4 -17.848 5.639 -0.082 1.00 0.00 H new ATOM 0 HB VAL A 4 -16.479 5.122 1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -18.031 4.001 3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -18.875 5.180 2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -19.032 3.438 1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -16.106 2.854 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -16.931 2.142 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -15.408 3.037 0.980 1.00 0.00 H new ATOM 64 N THR A 5 -15.344 5.366 -0.976 1.00 0.00 N ATOM 65 CA THR A 5 -14.196 5.401 -1.875 1.00 0.00 C ATOM 66 C THR A 5 -12.942 5.494 -1.014 1.00 0.00 C ATOM 67 O THR A 5 -12.706 6.502 -0.342 1.00 0.00 O ATOM 68 CB THR A 5 -14.340 6.538 -2.889 1.00 0.00 C ATOM 69 OG1 THR A 5 -15.569 6.404 -3.574 1.00 0.00 O ATOM 70 CG2 THR A 5 -13.223 6.532 -3.937 1.00 0.00 C ATOM 0 H THR A 5 -15.278 6.033 -0.207 1.00 0.00 H new ATOM 0 HA THR A 5 -14.128 4.495 -2.477 1.00 0.00 H new ATOM 0 HB THR A 5 -14.289 7.471 -2.328 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.663 7.133 -4.223 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.372 7.358 -4.632 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.259 6.644 -3.442 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.243 5.589 -4.484 1.00 0.00 H new ATOM 78 N ILE A 6 -12.196 4.395 -0.947 1.00 0.00 N ATOM 79 CA ILE A 6 -10.979 4.304 -0.159 1.00 0.00 C ATOM 80 C ILE A 6 -9.790 4.564 -1.083 1.00 0.00 C ATOM 81 O ILE A 6 -9.663 3.950 -2.144 1.00 0.00 O ATOM 82 CB ILE A 6 -10.905 2.946 0.572 1.00 0.00 C ATOM 83 CG1 ILE A 6 -12.172 2.699 1.429 1.00 0.00 C ATOM 84 CG2 ILE A 6 -9.639 2.890 1.444 1.00 0.00 C ATOM 85 CD1 ILE A 6 -12.164 1.376 2.202 1.00 0.00 C ATOM 0 H ILE A 6 -12.425 3.535 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.965 5.059 0.627 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.856 2.155 -0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.282 3.520 2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.046 2.721 0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.593 1.929 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.758 3.008 0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.668 3.693 2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -13.087 1.284 2.775 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.088 0.545 1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.312 1.357 2.881 1.00 0.00 H new ATOM 97 N LYS A 7 -8.941 5.519 -0.706 1.00 0.00 N ATOM 98 CA LYS A 7 -7.749 5.875 -1.457 1.00 0.00 C ATOM 99 C LYS A 7 -6.623 5.029 -0.885 1.00 0.00 C ATOM 100 O LYS A 7 -6.446 5.001 0.334 1.00 0.00 O ATOM 101 CB LYS A 7 -7.456 7.370 -1.305 1.00 0.00 C ATOM 102 CG LYS A 7 -6.296 7.787 -2.224 1.00 0.00 C ATOM 103 CD LYS A 7 -5.911 9.257 -2.060 1.00 0.00 C ATOM 104 CE LYS A 7 -7.061 10.210 -2.393 1.00 0.00 C ATOM 105 NZ LYS A 7 -6.620 11.614 -2.317 1.00 0.00 N ATOM 0 H LYS A 7 -9.068 6.072 0.142 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.869 5.687 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.347 7.948 -1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.205 7.594 -0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.428 7.163 -2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.576 7.603 -3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.586 9.431 -1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.061 9.480 -2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.437 9.997 -3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.887 10.046 -1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.417 12.241 -2.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.283 11.820 -1.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.848 11.773 -2.996 1.00 0.00 H new ATOM 119 N ALA A 8 -5.883 4.337 -1.741 1.00 0.00 N ATOM 120 CA ALA A 8 -4.775 3.492 -1.348 1.00 0.00 C ATOM 121 C ALA A 8 -3.498 4.093 -1.913 1.00 0.00 C ATOM 122 O ALA A 8 -3.330 4.158 -3.133 1.00 0.00 O ATOM 123 CB ALA A 8 -5.001 2.072 -1.856 1.00 0.00 C ATOM 0 H ALA A 8 -6.044 4.351 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.693 3.439 -0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.164 1.441 -1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.924 1.676 -1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.077 2.082 -2.943 1.00 0.00 H new ATOM 129 N ASN A 9 -2.644 4.600 -1.027 1.00 0.00 N ATOM 130 CA ASN A 9 -1.359 5.195 -1.382 1.00 0.00 C ATOM 131 C ASN A 9 -0.364 4.049 -1.269 1.00 0.00 C ATOM 132 O ASN A 9 -0.309 3.423 -0.215 1.00 0.00 O ATOM 133 CB ASN A 9 -0.956 6.322 -0.414 1.00 0.00 C ATOM 134 CG ASN A 9 -1.919 7.501 -0.421 1.00 0.00 C ATOM 135 OD1 ASN A 9 -1.958 8.288 -1.363 1.00 0.00 O ATOM 136 ND2 ASN A 9 -2.730 7.631 0.617 1.00 0.00 N ATOM 0 H ASN A 9 -2.830 4.609 -0.024 1.00 0.00 H new ATOM 0 HA ASN A 9 -1.396 5.644 -2.374 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.896 5.918 0.597 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.041 6.676 -0.676 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.404 8.396 0.645 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.681 6.966 1.389 1.00 0.00 H new ATOM 143 N LEU A 10 0.383 3.734 -2.324 1.00 0.00 N ATOM 144 CA LEU A 10 1.380 2.669 -2.372 1.00 0.00 C ATOM 145 C LEU A 10 2.750 3.328 -2.402 1.00 0.00 C ATOM 146 O LEU A 10 3.165 3.880 -3.424 1.00 0.00 O ATOM 147 CB LEU A 10 1.181 1.761 -3.602 1.00 0.00 C ATOM 148 CG LEU A 10 -0.058 0.848 -3.491 1.00 0.00 C ATOM 149 CD1 LEU A 10 -0.835 0.812 -4.812 1.00 0.00 C ATOM 150 CD2 LEU A 10 0.350 -0.581 -3.113 1.00 0.00 C ATOM 0 H LEU A 10 0.306 4.237 -3.208 1.00 0.00 H new ATOM 0 HA LEU A 10 1.281 2.028 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.087 2.382 -4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.069 1.143 -3.736 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.697 1.261 -2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.703 0.161 -4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.165 1.819 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.190 0.430 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.540 -1.206 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.015 -0.984 -3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.865 -0.570 -2.152 1.00 0.00 H new ATOM 162 N ILE A 11 3.432 3.305 -1.262 1.00 0.00 N ATOM 163 CA ILE A 11 4.759 3.862 -1.080 1.00 0.00 C ATOM 164 C ILE A 11 5.707 2.675 -1.249 1.00 0.00 C ATOM 165 O ILE A 11 5.728 1.761 -0.418 1.00 0.00 O ATOM 166 CB ILE A 11 4.859 4.563 0.293 1.00 0.00 C ATOM 167 CG1 ILE A 11 3.914 5.788 0.420 1.00 0.00 C ATOM 168 CG2 ILE A 11 6.293 5.045 0.563 1.00 0.00 C ATOM 169 CD1 ILE A 11 2.523 5.472 0.982 1.00 0.00 C ATOM 0 H ILE A 11 3.059 2.882 -0.412 1.00 0.00 H new ATOM 0 HA ILE A 11 5.012 4.641 -1.799 1.00 0.00 H new ATOM 0 HB ILE A 11 4.559 3.812 1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.389 6.531 1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.798 6.243 -0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.335 5.535 1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.971 4.192 0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.591 5.751 -0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.935 6.388 1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.022 4.755 0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.622 5.047 1.981 1.00 0.00 H new ATOM 181 N PHE A 12 6.385 2.609 -2.394 1.00 0.00 N ATOM 182 CA PHE A 12 7.329 1.541 -2.684 1.00 0.00 C ATOM 183 C PHE A 12 8.602 1.799 -1.876 1.00 0.00 C ATOM 184 O PHE A 12 8.936 2.945 -1.561 1.00 0.00 O ATOM 185 CB PHE A 12 7.585 1.458 -4.188 1.00 0.00 C ATOM 186 CG PHE A 12 6.365 1.079 -5.017 1.00 0.00 C ATOM 187 CD1 PHE A 12 5.907 -0.250 -5.008 1.00 0.00 C ATOM 188 CD2 PHE A 12 5.706 2.022 -5.828 1.00 0.00 C ATOM 189 CE1 PHE A 12 4.846 -0.649 -5.839 1.00 0.00 C ATOM 190 CE2 PHE A 12 4.639 1.628 -6.656 1.00 0.00 C ATOM 191 CZ PHE A 12 4.210 0.291 -6.667 1.00 0.00 C ATOM 0 H PHE A 12 6.293 3.295 -3.143 1.00 0.00 H new ATOM 0 HA PHE A 12 6.928 0.571 -2.390 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.958 2.422 -4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.373 0.727 -4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.375 -0.972 -4.356 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.022 3.055 -5.815 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.520 -1.678 -5.841 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.148 2.356 -7.285 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.396 -0.013 -7.308 1.00 0.00 H new ATOM 201 N ALA A 13 9.327 0.734 -1.535 1.00 0.00 N ATOM 202 CA ALA A 13 10.550 0.828 -0.741 1.00 0.00 C ATOM 203 C ALA A 13 11.695 1.521 -1.485 1.00 0.00 C ATOM 204 O ALA A 13 12.612 2.033 -0.846 1.00 0.00 O ATOM 205 CB ALA A 13 10.976 -0.574 -0.297 1.00 0.00 C ATOM 0 H ALA A 13 9.082 -0.219 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 13 10.328 1.448 0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.888 -0.506 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.185 -1.021 0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.159 -1.194 -1.175 1.00 0.00 H new ATOM 211 N ASN A 14 11.665 1.528 -2.817 1.00 0.00 N ATOM 212 CA ASN A 14 12.687 2.145 -3.660 1.00 0.00 C ATOM 213 C ASN A 14 12.512 3.664 -3.800 1.00 0.00 C ATOM 214 O ASN A 14 13.373 4.316 -4.385 1.00 0.00 O ATOM 215 CB ASN A 14 12.671 1.486 -5.050 1.00 0.00 C ATOM 216 CG ASN A 14 11.534 2.008 -5.919 1.00 0.00 C ATOM 217 OD1 ASN A 14 10.426 2.208 -5.431 1.00 0.00 O ATOM 218 ND2 ASN A 14 11.773 2.273 -7.187 1.00 0.00 N ATOM 0 H ASN A 14 10.912 1.095 -3.352 1.00 0.00 H new ATOM 0 HA ASN A 14 13.648 1.983 -3.172 1.00 0.00 H new ATOM 0 HB2 ASN A 14 13.622 1.671 -5.549 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.574 0.406 -4.938 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.032 2.650 -7.778 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.699 2.101 -7.578 1.00 0.00 H new ATOM 225 N GLY A 15 11.425 4.245 -3.282 1.00 0.00 N ATOM 226 CA GLY A 15 11.149 5.677 -3.360 1.00 0.00 C ATOM 227 C GLY A 15 9.954 5.989 -4.260 1.00 0.00 C ATOM 228 O GLY A 15 9.339 7.046 -4.085 1.00 0.00 O ATOM 0 H GLY A 15 10.702 3.721 -2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.958 6.063 -2.359 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.031 6.195 -3.738 1.00 0.00 H new ATOM 232 N SER A 16 9.617 5.104 -5.211 1.00 0.00 N ATOM 233 CA SER A 16 8.486 5.317 -6.104 1.00 0.00 C ATOM 234 C SER A 16 7.199 5.409 -5.276 1.00 0.00 C ATOM 235 O SER A 16 7.072 4.809 -4.204 1.00 0.00 O ATOM 236 CB SER A 16 8.362 4.179 -7.126 1.00 0.00 C ATOM 237 OG SER A 16 9.527 3.959 -7.899 1.00 0.00 O ATOM 0 H SER A 16 10.120 4.232 -5.375 1.00 0.00 H new ATOM 0 HA SER A 16 8.647 6.246 -6.651 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.111 3.259 -6.598 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.531 4.398 -7.797 1.00 0.00 H new ATOM 0 HG SER A 16 9.324 3.335 -8.626 1.00 0.00 H new ATOM 243 N THR A 17 6.204 6.104 -5.814 1.00 0.00 N ATOM 244 CA THR A 17 4.921 6.302 -5.158 1.00 0.00 C ATOM 245 C THR A 17 3.821 6.229 -6.208 1.00 0.00 C ATOM 246 O THR A 17 3.937 6.848 -7.269 1.00 0.00 O ATOM 247 CB THR A 17 4.943 7.642 -4.399 1.00 0.00 C ATOM 248 OG1 THR A 17 5.587 8.667 -5.137 1.00 0.00 O ATOM 249 CG2 THR A 17 5.641 7.478 -3.052 1.00 0.00 C ATOM 0 H THR A 17 6.268 6.550 -6.729 1.00 0.00 H new ATOM 0 HA THR A 17 4.724 5.523 -4.422 1.00 0.00 H new ATOM 0 HB THR A 17 3.904 7.937 -4.248 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.576 9.499 -4.619 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.649 8.433 -2.527 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.108 6.740 -2.453 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.666 7.144 -3.212 1.00 0.00 H new ATOM 257 N GLN A 18 2.782 5.444 -5.944 1.00 0.00 N ATOM 258 CA GLN A 18 1.647 5.255 -6.838 1.00 0.00 C ATOM 259 C GLN A 18 0.378 5.241 -5.992 1.00 0.00 C ATOM 260 O GLN A 18 0.408 4.757 -4.867 1.00 0.00 O ATOM 261 CB GLN A 18 1.879 3.975 -7.637 1.00 0.00 C ATOM 262 CG GLN A 18 0.946 3.827 -8.838 1.00 0.00 C ATOM 263 CD GLN A 18 1.455 2.678 -9.694 1.00 0.00 C ATOM 264 OE1 GLN A 18 2.297 2.887 -10.557 1.00 0.00 O ATOM 265 NE2 GLN A 18 1.020 1.456 -9.443 1.00 0.00 N ATOM 0 H GLN A 18 2.705 4.908 -5.080 1.00 0.00 H new ATOM 0 HA GLN A 18 1.536 6.062 -7.563 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.912 3.956 -7.985 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.749 3.116 -6.978 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -0.074 3.631 -8.506 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.921 4.750 -9.417 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.318 1.303 -8.719 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.387 0.665 -9.973 1.00 0.00 H new ATOM 274 N THR A 19 -0.739 5.761 -6.495 1.00 0.00 N ATOM 275 CA THR A 19 -1.993 5.813 -5.748 1.00 0.00 C ATOM 276 C THR A 19 -3.157 5.360 -6.615 1.00 0.00 C ATOM 277 O THR A 19 -3.195 5.629 -7.818 1.00 0.00 O ATOM 278 CB THR A 19 -2.204 7.219 -5.178 1.00 0.00 C ATOM 279 OG1 THR A 19 -1.090 7.567 -4.383 1.00 0.00 O ATOM 280 CG2 THR A 19 -3.443 7.391 -4.301 1.00 0.00 C ATOM 0 H THR A 19 -0.800 6.158 -7.432 1.00 0.00 H new ATOM 0 HA THR A 19 -1.940 5.121 -4.908 1.00 0.00 H new ATOM 0 HB THR A 19 -2.336 7.857 -6.052 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.392 7.796 -3.479 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.499 8.421 -3.949 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.335 7.157 -4.882 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.380 6.718 -3.446 1.00 0.00 H new ATOM 288 N ALA A 20 -4.054 4.599 -5.998 1.00 0.00 N ATOM 289 CA ALA A 20 -5.270 4.045 -6.570 1.00 0.00 C ATOM 290 C ALA A 20 -6.446 4.488 -5.686 1.00 0.00 C ATOM 291 O ALA A 20 -6.253 4.893 -4.536 1.00 0.00 O ATOM 292 CB ALA A 20 -5.147 2.516 -6.657 1.00 0.00 C ATOM 0 H ALA A 20 -3.941 4.337 -5.019 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.438 4.407 -7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.059 2.101 -7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.298 2.255 -7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.997 2.106 -5.658 1.00 0.00 H new ATOM 298 N GLU A 21 -7.668 4.429 -6.212 1.00 0.00 N ATOM 299 CA GLU A 21 -8.887 4.806 -5.504 1.00 0.00 C ATOM 300 C GLU A 21 -9.888 3.692 -5.784 1.00 0.00 C ATOM 301 O GLU A 21 -10.329 3.544 -6.926 1.00 0.00 O ATOM 302 CB GLU A 21 -9.409 6.169 -5.999 1.00 0.00 C ATOM 303 CG GLU A 21 -8.541 7.342 -5.517 1.00 0.00 C ATOM 304 CD GLU A 21 -9.078 8.678 -6.030 1.00 0.00 C ATOM 305 OE1 GLU A 21 -9.939 9.280 -5.346 1.00 0.00 O ATOM 306 OE2 GLU A 21 -8.661 9.108 -7.131 1.00 0.00 O ATOM 0 H GLU A 21 -7.841 4.110 -7.165 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.714 4.920 -4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.441 6.168 -7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.432 6.311 -5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.513 7.353 -4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.516 7.204 -5.860 1.00 0.00 H new ATOM 313 N PHE A 22 -10.200 2.883 -4.774 1.00 0.00 N ATOM 314 CA PHE A 22 -11.132 1.767 -4.878 1.00 0.00 C ATOM 315 C PHE A 22 -12.495 2.231 -4.377 1.00 0.00 C ATOM 316 O PHE A 22 -12.580 3.125 -3.531 1.00 0.00 O ATOM 317 CB PHE A 22 -10.567 0.567 -4.115 1.00 0.00 C ATOM 318 CG PHE A 22 -9.247 0.092 -4.698 1.00 0.00 C ATOM 319 CD1 PHE A 22 -9.232 -0.580 -5.935 1.00 0.00 C ATOM 320 CD2 PHE A 22 -8.033 0.358 -4.036 1.00 0.00 C ATOM 321 CE1 PHE A 22 -8.016 -1.014 -6.491 1.00 0.00 C ATOM 322 CE2 PHE A 22 -6.816 -0.075 -4.591 1.00 0.00 C ATOM 323 CZ PHE A 22 -6.808 -0.761 -5.817 1.00 0.00 C ATOM 0 H PHE A 22 -9.802 2.989 -3.841 1.00 0.00 H new ATOM 0 HA PHE A 22 -11.263 1.439 -5.909 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -10.425 0.837 -3.069 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.288 -0.250 -4.138 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -10.159 -0.763 -6.459 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.037 0.896 -3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.010 -1.541 -7.434 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.887 0.120 -4.075 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.873 -1.094 -6.242 1.00 0.00 H new ATOM 333 N GLN A 23 -13.567 1.633 -4.891 1.00 0.00 N ATOM 334 CA GLN A 23 -14.944 1.979 -4.564 1.00 0.00 C ATOM 335 C GLN A 23 -15.766 0.740 -4.222 1.00 0.00 C ATOM 336 O GLN A 23 -15.361 -0.382 -4.515 1.00 0.00 O ATOM 337 CB GLN A 23 -15.571 2.640 -5.804 1.00 0.00 C ATOM 338 CG GLN A 23 -14.856 3.894 -6.335 1.00 0.00 C ATOM 339 CD GLN A 23 -15.251 4.212 -7.776 1.00 0.00 C ATOM 340 OE1 GLN A 23 -15.460 3.317 -8.599 1.00 0.00 O ATOM 341 NE2 GLN A 23 -15.331 5.478 -8.140 1.00 0.00 N ATOM 0 H GLN A 23 -13.497 0.872 -5.566 1.00 0.00 H new ATOM 0 HA GLN A 23 -14.943 2.643 -3.700 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.609 1.901 -6.605 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -16.601 2.906 -5.567 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.096 4.745 -5.697 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.777 3.747 -6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -15.158 6.217 -7.458 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -15.566 5.718 -9.103 1.00 0.00 H new ATOM 350 N GLY A 24 -16.954 0.961 -3.663 1.00 0.00 N ATOM 351 CA GLY A 24 -17.884 -0.092 -3.288 1.00 0.00 C ATOM 352 C GLY A 24 -18.132 -0.064 -1.794 1.00 0.00 C ATOM 353 O GLY A 24 -18.002 0.982 -1.148 1.00 0.00 O ATOM 0 H GLY A 24 -17.300 1.898 -3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -18.825 0.037 -3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.482 -1.063 -3.579 1.00 0.00 H new ATOM 357 N THR A 25 -18.607 -1.179 -1.246 1.00 0.00 N ATOM 358 CA THR A 25 -18.843 -1.271 0.184 1.00 0.00 C ATOM 359 C THR A 25 -17.479 -1.169 0.892 1.00 0.00 C ATOM 360 O THR A 25 -16.419 -1.375 0.290 1.00 0.00 O ATOM 361 CB THR A 25 -19.648 -2.545 0.513 1.00 0.00 C ATOM 362 OG1 THR A 25 -19.389 -3.603 -0.397 1.00 0.00 O ATOM 363 CG2 THR A 25 -21.149 -2.244 0.446 1.00 0.00 C ATOM 0 H THR A 25 -18.834 -2.024 -1.770 1.00 0.00 H new ATOM 0 HA THR A 25 -19.462 -0.452 0.551 1.00 0.00 H new ATOM 0 HB THR A 25 -19.342 -2.853 1.513 1.00 0.00 H new ATOM 0 HG1 THR A 25 -19.920 -4.388 -0.146 1.00 0.00 H new ATOM 0 HG21 THR A 25 -21.712 -3.148 0.679 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.397 -1.466 1.168 1.00 0.00 H new ATOM 0 HG23 THR A 25 -21.408 -1.904 -0.557 1.00 0.00 H new ATOM 371 N PHE A 26 -17.503 -0.849 2.184 1.00 0.00 N ATOM 372 CA PHE A 26 -16.329 -0.678 3.030 1.00 0.00 C ATOM 373 C PHE A 26 -15.382 -1.875 2.892 1.00 0.00 C ATOM 374 O PHE A 26 -14.202 -1.710 2.576 1.00 0.00 O ATOM 375 CB PHE A 26 -16.833 -0.453 4.467 1.00 0.00 C ATOM 376 CG PHE A 26 -15.893 0.232 5.446 1.00 0.00 C ATOM 377 CD1 PHE A 26 -14.752 -0.432 5.927 1.00 0.00 C ATOM 378 CD2 PHE A 26 -16.219 1.499 5.970 1.00 0.00 C ATOM 379 CE1 PHE A 26 -13.955 0.148 6.933 1.00 0.00 C ATOM 380 CE2 PHE A 26 -15.436 2.077 6.986 1.00 0.00 C ATOM 381 CZ PHE A 26 -14.307 1.397 7.477 1.00 0.00 C ATOM 0 H PHE A 26 -18.377 -0.696 2.688 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.737 0.186 2.728 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.749 0.136 4.413 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.102 -1.423 4.884 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.484 -1.396 5.521 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -17.078 2.031 5.588 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.074 -0.366 7.287 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.702 3.043 7.389 1.00 0.00 H new ATOM 0 HZ PHE A 26 -13.713 1.831 8.268 1.00 0.00 H new ATOM 391 N GLU A 27 -15.900 -3.091 3.085 1.00 0.00 N ATOM 392 CA GLU A 27 -15.102 -4.308 2.991 1.00 0.00 C ATOM 393 C GLU A 27 -14.562 -4.566 1.580 1.00 0.00 C ATOM 394 O GLU A 27 -13.502 -5.184 1.457 1.00 0.00 O ATOM 395 CB GLU A 27 -15.900 -5.528 3.488 1.00 0.00 C ATOM 396 CG GLU A 27 -17.195 -5.828 2.715 1.00 0.00 C ATOM 397 CD GLU A 27 -17.804 -7.189 3.059 1.00 0.00 C ATOM 398 OE1 GLU A 27 -17.662 -7.689 4.202 1.00 0.00 O ATOM 399 OE2 GLU A 27 -18.480 -7.777 2.176 1.00 0.00 O ATOM 0 H GLU A 27 -16.881 -3.255 3.310 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.238 -4.155 3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.256 -6.406 3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.151 -5.374 4.538 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.925 -5.047 2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.989 -5.790 1.645 1.00 0.00 H new ATOM 406 N GLN A 28 -15.277 -4.137 0.533 1.00 0.00 N ATOM 407 CA GLN A 28 -14.873 -4.342 -0.850 1.00 0.00 C ATOM 408 C GLN A 28 -13.639 -3.507 -1.149 1.00 0.00 C ATOM 409 O GLN A 28 -12.585 -4.074 -1.427 1.00 0.00 O ATOM 410 CB GLN A 28 -16.024 -4.012 -1.823 1.00 0.00 C ATOM 411 CG GLN A 28 -15.693 -4.398 -3.276 1.00 0.00 C ATOM 412 CD GLN A 28 -15.610 -5.914 -3.435 1.00 0.00 C ATOM 413 OE1 GLN A 28 -14.560 -6.531 -3.252 1.00 0.00 O ATOM 414 NE2 GLN A 28 -16.730 -6.566 -3.692 1.00 0.00 N ATOM 0 H GLN A 28 -16.159 -3.634 0.630 1.00 0.00 H new ATOM 0 HA GLN A 28 -14.627 -5.394 -0.993 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.925 -4.537 -1.507 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.243 -2.945 -1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.456 -4.000 -3.944 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.746 -3.946 -3.569 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -17.597 -6.050 -3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.728 -7.585 -3.740 1.00 0.00 H new ATOM 423 N ALA A 29 -13.752 -2.178 -1.038 1.00 0.00 N ATOM 424 CA ALA A 29 -12.637 -1.281 -1.321 1.00 0.00 C ATOM 425 C ALA A 29 -11.415 -1.619 -0.460 1.00 0.00 C ATOM 426 O ALA A 29 -10.281 -1.406 -0.893 1.00 0.00 O ATOM 427 CB ALA A 29 -13.104 0.169 -1.174 1.00 0.00 C ATOM 0 H ALA A 29 -14.609 -1.704 -0.753 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.308 -1.416 -2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.273 0.842 -1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.915 0.363 -1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.457 0.336 -0.156 1.00 0.00 H new ATOM 433 N THR A 30 -11.621 -2.134 0.756 1.00 0.00 N ATOM 434 CA THR A 30 -10.516 -2.522 1.623 1.00 0.00 C ATOM 435 C THR A 30 -9.819 -3.749 1.005 1.00 0.00 C ATOM 436 O THR A 30 -8.596 -3.770 0.877 1.00 0.00 O ATOM 437 CB THR A 30 -11.034 -2.825 3.039 1.00 0.00 C ATOM 438 OG1 THR A 30 -11.763 -1.736 3.576 1.00 0.00 O ATOM 439 CG2 THR A 30 -9.879 -3.115 3.994 1.00 0.00 C ATOM 0 H THR A 30 -12.545 -2.290 1.158 1.00 0.00 H new ATOM 0 HA THR A 30 -9.796 -1.708 1.707 1.00 0.00 H new ATOM 0 HB THR A 30 -11.683 -3.695 2.945 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.704 -1.812 3.314 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.273 -3.326 4.988 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.318 -3.978 3.635 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.220 -2.248 4.041 1.00 0.00 H new ATOM 447 N SER A 31 -10.591 -4.771 0.617 1.00 0.00 N ATOM 448 CA SER A 31 -10.063 -5.991 0.025 1.00 0.00 C ATOM 449 C SER A 31 -9.317 -5.692 -1.277 1.00 0.00 C ATOM 450 O SER A 31 -8.279 -6.303 -1.520 1.00 0.00 O ATOM 451 CB SER A 31 -11.233 -6.961 -0.184 1.00 0.00 C ATOM 452 OG SER A 31 -10.807 -8.257 -0.543 1.00 0.00 O ATOM 0 H SER A 31 -11.607 -4.768 0.709 1.00 0.00 H new ATOM 0 HA SER A 31 -9.332 -6.451 0.690 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.822 -7.017 0.732 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.889 -6.570 -0.961 1.00 0.00 H new ATOM 0 HG SER A 31 -11.588 -8.837 -0.663 1.00 0.00 H new ATOM 458 N GLU A 32 -9.774 -4.722 -2.076 1.00 0.00 N ATOM 459 CA GLU A 32 -9.110 -4.375 -3.327 1.00 0.00 C ATOM 460 C GLU A 32 -7.696 -3.860 -3.058 1.00 0.00 C ATOM 461 O GLU A 32 -6.761 -4.240 -3.763 1.00 0.00 O ATOM 462 CB GLU A 32 -9.903 -3.332 -4.113 1.00 0.00 C ATOM 463 CG GLU A 32 -11.232 -3.875 -4.643 1.00 0.00 C ATOM 464 CD GLU A 32 -11.720 -3.014 -5.802 1.00 0.00 C ATOM 465 OE1 GLU A 32 -11.225 -3.234 -6.934 1.00 0.00 O ATOM 466 OE2 GLU A 32 -12.603 -2.154 -5.602 1.00 0.00 O ATOM 0 H GLU A 32 -10.604 -4.165 -1.874 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.053 -5.282 -3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.097 -2.471 -3.473 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.300 -2.978 -4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.108 -4.907 -4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.975 -3.882 -3.846 1.00 0.00 H new ATOM 473 N ALA A 33 -7.522 -3.026 -2.029 1.00 0.00 N ATOM 474 CA ALA A 33 -6.214 -2.488 -1.673 1.00 0.00 C ATOM 475 C ALA A 33 -5.246 -3.608 -1.292 1.00 0.00 C ATOM 476 O ALA A 33 -4.105 -3.619 -1.763 1.00 0.00 O ATOM 477 CB ALA A 33 -6.347 -1.498 -0.515 1.00 0.00 C ATOM 0 H ALA A 33 -8.281 -2.709 -1.425 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.814 -1.969 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.364 -1.104 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.001 -0.678 -0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.771 -2.006 0.351 1.00 0.00 H new ATOM 483 N TYR A 34 -5.697 -4.584 -0.497 1.00 0.00 N ATOM 484 CA TYR A 34 -4.824 -5.679 -0.082 1.00 0.00 C ATOM 485 C TYR A 34 -4.563 -6.623 -1.258 1.00 0.00 C ATOM 486 O TYR A 34 -3.463 -7.164 -1.369 1.00 0.00 O ATOM 487 CB TYR A 34 -5.463 -6.430 1.099 1.00 0.00 C ATOM 488 CG TYR A 34 -5.784 -5.592 2.332 1.00 0.00 C ATOM 489 CD1 TYR A 34 -4.966 -4.506 2.714 1.00 0.00 C ATOM 490 CD2 TYR A 34 -6.899 -5.925 3.128 1.00 0.00 C ATOM 491 CE1 TYR A 34 -5.287 -3.744 3.850 1.00 0.00 C ATOM 492 CE2 TYR A 34 -7.194 -5.192 4.294 1.00 0.00 C ATOM 493 CZ TYR A 34 -6.403 -4.075 4.645 1.00 0.00 C ATOM 494 OH TYR A 34 -6.713 -3.287 5.711 1.00 0.00 O ATOM 0 H TYR A 34 -6.649 -4.636 -0.134 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.865 -5.275 0.242 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.385 -6.896 0.751 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.792 -7.236 1.397 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.091 -4.260 2.131 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.533 -6.751 2.841 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.673 -2.897 4.117 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.025 -5.484 4.920 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.508 -3.643 6.160 1.00 0.00 H new ATOM 504 N ALA A 35 -5.519 -6.765 -2.178 1.00 0.00 N ATOM 505 CA ALA A 35 -5.402 -7.606 -3.359 1.00 0.00 C ATOM 506 C ALA A 35 -4.356 -7.018 -4.311 1.00 0.00 C ATOM 507 O ALA A 35 -3.544 -7.754 -4.881 1.00 0.00 O ATOM 508 CB ALA A 35 -6.771 -7.670 -4.047 1.00 0.00 C ATOM 0 H ALA A 35 -6.416 -6.284 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.085 -8.610 -3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.703 -8.297 -4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.504 -8.093 -3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.081 -6.665 -4.335 1.00 0.00 H new ATOM 514 N TYR A 36 -4.378 -5.693 -4.483 1.00 0.00 N ATOM 515 CA TYR A 36 -3.461 -4.954 -5.339 1.00 0.00 C ATOM 516 C TYR A 36 -2.043 -5.009 -4.763 1.00 0.00 C ATOM 517 O TYR A 36 -1.071 -5.177 -5.496 1.00 0.00 O ATOM 518 CB TYR A 36 -3.949 -3.503 -5.455 1.00 0.00 C ATOM 519 CG TYR A 36 -3.403 -2.765 -6.657 1.00 0.00 C ATOM 520 CD1 TYR A 36 -2.106 -2.217 -6.634 1.00 0.00 C ATOM 521 CD2 TYR A 36 -4.213 -2.616 -7.800 1.00 0.00 C ATOM 522 CE1 TYR A 36 -1.617 -1.533 -7.759 1.00 0.00 C ATOM 523 CE2 TYR A 36 -3.732 -1.929 -8.924 1.00 0.00 C ATOM 524 CZ TYR A 36 -2.423 -1.405 -8.911 1.00 0.00 C ATOM 525 OH TYR A 36 -1.939 -0.737 -9.987 1.00 0.00 O ATOM 0 H TYR A 36 -5.056 -5.092 -4.014 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.437 -5.403 -6.332 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.038 -3.499 -5.503 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.668 -2.963 -4.551 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.489 -2.322 -5.754 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.209 -3.033 -7.811 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.625 -1.105 -7.743 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.360 -1.802 -9.794 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.611 -0.736 -10.700 1.00 0.00 H new ATOM 535 N ALA A 37 -1.920 -4.875 -3.443 1.00 0.00 N ATOM 536 CA ALA A 37 -0.649 -4.916 -2.744 1.00 0.00 C ATOM 537 C ALA A 37 -0.019 -6.314 -2.842 1.00 0.00 C ATOM 538 O ALA A 37 1.176 -6.461 -3.109 1.00 0.00 O ATOM 539 CB ALA A 37 -0.917 -4.521 -1.291 1.00 0.00 C ATOM 0 H ALA A 37 -2.718 -4.733 -2.824 1.00 0.00 H new ATOM 0 HA ALA A 37 0.063 -4.224 -3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.018 -4.540 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.339 -3.517 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.621 -5.225 -0.847 1.00 0.00 H new ATOM 545 N ASP A 38 -0.818 -7.365 -2.642 1.00 0.00 N ATOM 546 CA ASP A 38 -0.366 -8.755 -2.693 1.00 0.00 C ATOM 547 C ASP A 38 0.138 -9.164 -4.081 1.00 0.00 C ATOM 548 O ASP A 38 1.162 -9.842 -4.173 1.00 0.00 O ATOM 549 CB ASP A 38 -1.509 -9.678 -2.261 1.00 0.00 C ATOM 550 CG ASP A 38 -1.061 -11.132 -2.113 1.00 0.00 C ATOM 551 OD1 ASP A 38 -0.075 -11.391 -1.385 1.00 0.00 O ATOM 552 OD2 ASP A 38 -1.800 -12.009 -2.616 1.00 0.00 O ATOM 0 H ASP A 38 -1.813 -7.271 -2.437 1.00 0.00 H new ATOM 0 HA ASP A 38 0.478 -8.849 -2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.916 -9.328 -1.312 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.314 -9.622 -2.994 1.00 0.00 H new ATOM 557 N THR A 39 -0.483 -8.675 -5.162 1.00 0.00 N ATOM 558 CA THR A 39 -0.073 -9.019 -6.525 1.00 0.00 C ATOM 559 C THR A 39 1.234 -8.320 -6.957 1.00 0.00 C ATOM 560 O THR A 39 1.686 -8.515 -8.084 1.00 0.00 O ATOM 561 CB THR A 39 -1.264 -8.856 -7.494 1.00 0.00 C ATOM 562 OG1 THR A 39 -1.084 -9.673 -8.632 1.00 0.00 O ATOM 563 CG2 THR A 39 -1.544 -7.431 -7.974 1.00 0.00 C ATOM 0 H THR A 39 -1.276 -8.036 -5.115 1.00 0.00 H new ATOM 0 HA THR A 39 0.199 -10.074 -6.556 1.00 0.00 H new ATOM 0 HB THR A 39 -2.128 -9.155 -6.900 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.154 -9.611 -8.935 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.400 -7.436 -8.648 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.761 -6.794 -7.116 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.670 -7.046 -8.500 1.00 0.00 H new ATOM 571 N LEU A 40 1.857 -7.516 -6.083 1.00 0.00 N ATOM 572 CA LEU A 40 3.113 -6.807 -6.341 1.00 0.00 C ATOM 573 C LEU A 40 4.192 -7.194 -5.321 1.00 0.00 C ATOM 574 O LEU A 40 5.348 -6.791 -5.464 1.00 0.00 O ATOM 575 CB LEU A 40 2.868 -5.293 -6.283 1.00 0.00 C ATOM 576 CG LEU A 40 1.946 -4.749 -7.385 1.00 0.00 C ATOM 577 CD1 LEU A 40 1.549 -3.315 -7.034 1.00 0.00 C ATOM 578 CD2 LEU A 40 2.616 -4.790 -8.763 1.00 0.00 C ATOM 0 H LEU A 40 1.487 -7.338 -5.149 1.00 0.00 H new ATOM 0 HA LEU A 40 3.467 -7.089 -7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.437 -5.045 -5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.828 -4.781 -6.346 1.00 0.00 H new ATOM 0 HG LEU A 40 1.061 -5.383 -7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.894 -2.919 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.026 -3.306 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.444 -2.697 -6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.930 -4.397 -9.513 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.521 -4.183 -8.746 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.874 -5.819 -9.012 1.00 0.00 H new ATOM 590 N LYS A 41 3.837 -7.976 -4.292 1.00 0.00 N ATOM 591 CA LYS A 41 4.711 -8.436 -3.217 1.00 0.00 C ATOM 592 C LYS A 41 5.927 -9.213 -3.719 1.00 0.00 C ATOM 593 O LYS A 41 6.938 -9.241 -3.026 1.00 0.00 O ATOM 594 CB LYS A 41 3.856 -9.244 -2.226 1.00 0.00 C ATOM 595 CG LYS A 41 4.633 -9.806 -1.024 1.00 0.00 C ATOM 596 CD LYS A 41 3.739 -10.004 0.207 1.00 0.00 C ATOM 597 CE LYS A 41 2.620 -11.013 -0.053 1.00 0.00 C ATOM 598 NZ LYS A 41 3.113 -12.401 -0.041 1.00 0.00 N ATOM 0 H LYS A 41 2.882 -8.319 -4.187 1.00 0.00 H new ATOM 0 HA LYS A 41 5.142 -7.572 -2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.051 -8.608 -1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.389 -10.072 -2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.084 -10.759 -1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.449 -9.128 -0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.347 -10.345 1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.304 -9.047 0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.845 -10.897 0.704 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.158 -10.801 -1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.322 -13.052 -0.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.834 -12.520 -0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.531 -12.613 0.887 1.00 0.00 H new ATOM 612 N GLN A 42 5.865 -9.809 -4.908 1.00 0.00 N ATOM 613 CA GLN A 42 6.983 -10.555 -5.454 1.00 0.00 C ATOM 614 C GLN A 42 8.198 -9.638 -5.651 1.00 0.00 C ATOM 615 O GLN A 42 9.222 -9.832 -5.000 1.00 0.00 O ATOM 616 CB GLN A 42 6.569 -11.189 -6.789 1.00 0.00 C ATOM 617 CG GLN A 42 7.662 -12.113 -7.348 1.00 0.00 C ATOM 618 CD GLN A 42 7.465 -12.457 -8.822 1.00 0.00 C ATOM 619 OE1 GLN A 42 6.682 -11.850 -9.548 1.00 0.00 O ATOM 620 NE2 GLN A 42 8.225 -13.413 -9.324 1.00 0.00 N ATOM 0 H GLN A 42 5.043 -9.786 -5.511 1.00 0.00 H new ATOM 0 HA GLN A 42 7.263 -11.342 -4.754 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.649 -11.757 -6.651 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.353 -10.403 -7.513 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.633 -11.635 -7.220 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.682 -13.035 -6.766 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.875 -13.917 -8.721 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.162 -13.647 -10.315 1.00 0.00 H new ATOM 629 N ASP A 43 8.067 -8.657 -6.551 1.00 0.00 N ATOM 630 CA ASP A 43 9.099 -7.696 -6.934 1.00 0.00 C ATOM 631 C ASP A 43 9.297 -6.545 -5.954 1.00 0.00 C ATOM 632 O ASP A 43 10.338 -5.893 -5.984 1.00 0.00 O ATOM 633 CB ASP A 43 8.697 -7.118 -8.299 1.00 0.00 C ATOM 634 CG ASP A 43 9.754 -6.183 -8.891 1.00 0.00 C ATOM 635 OD1 ASP A 43 10.903 -6.644 -9.091 1.00 0.00 O ATOM 636 OD2 ASP A 43 9.407 -5.024 -9.217 1.00 0.00 O ATOM 0 H ASP A 43 7.193 -8.507 -7.055 1.00 0.00 H new ATOM 0 HA ASP A 43 10.048 -8.232 -6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.515 -7.937 -8.994 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.758 -6.575 -8.194 1.00 0.00 H new ATOM 641 N ASN A 44 8.340 -6.309 -5.053 1.00 0.00 N ATOM 642 CA ASN A 44 8.416 -5.209 -4.090 1.00 0.00 C ATOM 643 C ASN A 44 8.627 -5.639 -2.652 1.00 0.00 C ATOM 644 O ASN A 44 8.967 -4.784 -1.832 1.00 0.00 O ATOM 645 CB ASN A 44 7.161 -4.348 -4.187 1.00 0.00 C ATOM 646 CG ASN A 44 7.122 -3.639 -5.518 1.00 0.00 C ATOM 647 OD1 ASN A 44 7.754 -2.600 -5.665 1.00 0.00 O ATOM 648 ND2 ASN A 44 6.417 -4.211 -6.477 1.00 0.00 N ATOM 0 H ASN A 44 7.494 -6.873 -4.971 1.00 0.00 H new ATOM 0 HA ASN A 44 9.305 -4.641 -4.365 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.274 -4.970 -4.071 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.147 -3.619 -3.377 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.378 -3.786 -7.404 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.912 -5.077 -6.291 1.00 0.00 H new ATOM 655 N GLY A 45 8.476 -6.925 -2.350 1.00 0.00 N ATOM 656 CA GLY A 45 8.651 -7.452 -1.014 1.00 0.00 C ATOM 657 C GLY A 45 7.392 -7.294 -0.180 1.00 0.00 C ATOM 658 O GLY A 45 6.341 -6.870 -0.673 1.00 0.00 O ATOM 0 H GLY A 45 8.226 -7.634 -3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.920 -8.507 -1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.479 -6.938 -0.525 1.00 0.00 H new ATOM 662 N GLU A 46 7.479 -7.717 1.082 1.00 0.00 N ATOM 663 CA GLU A 46 6.349 -7.636 1.993 1.00 0.00 C ATOM 664 C GLU A 46 5.937 -6.178 2.218 1.00 0.00 C ATOM 665 O GLU A 46 6.674 -5.241 1.895 1.00 0.00 O ATOM 666 CB GLU A 46 6.596 -8.433 3.281 1.00 0.00 C ATOM 667 CG GLU A 46 7.602 -7.828 4.281 1.00 0.00 C ATOM 668 CD GLU A 46 7.602 -8.575 5.625 1.00 0.00 C ATOM 669 OE1 GLU A 46 6.606 -9.268 5.939 1.00 0.00 O ATOM 670 OE2 GLU A 46 8.563 -8.459 6.419 1.00 0.00 O ATOM 0 H GLU A 46 8.323 -8.118 1.491 1.00 0.00 H new ATOM 0 HA GLU A 46 5.489 -8.120 1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.642 -8.561 3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.945 -9.428 3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.603 -7.858 3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.358 -6.779 4.450 1.00 0.00 H new ATOM 677 N TRP A 47 4.750 -5.984 2.788 1.00 0.00 N ATOM 678 CA TRP A 47 4.206 -4.661 3.038 1.00 0.00 C ATOM 679 C TRP A 47 3.317 -4.600 4.274 1.00 0.00 C ATOM 680 O TRP A 47 2.860 -5.627 4.790 1.00 0.00 O ATOM 681 CB TRP A 47 3.397 -4.271 1.791 1.00 0.00 C ATOM 682 CG TRP A 47 2.427 -5.298 1.271 1.00 0.00 C ATOM 683 CD1 TRP A 47 2.641 -6.090 0.196 1.00 0.00 C ATOM 684 CD2 TRP A 47 1.094 -5.643 1.762 1.00 0.00 C ATOM 685 NE1 TRP A 47 1.523 -6.863 -0.035 1.00 0.00 N ATOM 686 CE2 TRP A 47 0.543 -6.644 0.910 1.00 0.00 C ATOM 687 CE3 TRP A 47 0.284 -5.209 2.833 1.00 0.00 C ATOM 688 CZ2 TRP A 47 -0.743 -7.176 1.108 1.00 0.00 C ATOM 689 CZ3 TRP A 47 -1.003 -5.736 3.052 1.00 0.00 C ATOM 690 CH2 TRP A 47 -1.517 -6.719 2.189 1.00 0.00 C ATOM 0 H TRP A 47 4.141 -6.745 3.088 1.00 0.00 H new ATOM 0 HA TRP A 47 5.028 -3.971 3.231 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.842 -3.360 2.016 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.098 -4.028 0.992 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.547 -6.113 -0.391 1.00 0.00 H new ATOM 0 HE1 TRP A 47 1.432 -7.518 -0.812 1.00 0.00 H new ATOM 0 HE3 TRP A 47 0.662 -4.451 3.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.132 -7.928 0.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -1.596 -5.385 3.884 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.505 -7.123 2.356 1.00 0.00 H new ATOM 701 N THR A 48 3.007 -3.381 4.698 1.00 0.00 N ATOM 702 CA THR A 48 2.162 -3.075 5.836 1.00 0.00 C ATOM 703 C THR A 48 1.245 -1.919 5.462 1.00 0.00 C ATOM 704 O THR A 48 1.648 -0.995 4.743 1.00 0.00 O ATOM 705 CB THR A 48 2.998 -2.718 7.072 1.00 0.00 C ATOM 706 OG1 THR A 48 4.143 -1.960 6.722 1.00 0.00 O ATOM 707 CG2 THR A 48 3.410 -3.955 7.857 1.00 0.00 C ATOM 0 H THR A 48 3.356 -2.543 4.233 1.00 0.00 H new ATOM 0 HA THR A 48 1.570 -3.955 6.089 1.00 0.00 H new ATOM 0 HB THR A 48 2.361 -2.109 7.713 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.654 -1.747 7.531 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.000 -3.656 8.723 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.519 -4.488 8.191 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.006 -4.608 7.220 1.00 0.00 H new ATOM 715 N VAL A 49 0.026 -1.937 5.987 1.00 0.00 N ATOM 716 CA VAL A 49 -0.972 -0.914 5.740 1.00 0.00 C ATOM 717 C VAL A 49 -1.311 -0.234 7.064 1.00 0.00 C ATOM 718 O VAL A 49 -1.214 -0.849 8.134 1.00 0.00 O ATOM 719 CB VAL A 49 -2.186 -1.526 5.003 1.00 0.00 C ATOM 720 CG1 VAL A 49 -3.190 -0.432 4.609 1.00 0.00 C ATOM 721 CG2 VAL A 49 -1.729 -2.229 3.721 1.00 0.00 C ATOM 0 H VAL A 49 -0.299 -2.679 6.607 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.594 -0.137 5.075 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.658 -2.238 5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.036 -0.884 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.543 0.078 5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.704 0.287 3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.593 -2.655 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.241 -1.508 3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.027 -3.024 3.972 1.00 0.00 H new ATOM 731 N ASP A 50 -1.711 1.034 6.990 1.00 0.00 N ATOM 732 CA ASP A 50 -2.104 1.867 8.116 1.00 0.00 C ATOM 733 C ASP A 50 -3.494 2.428 7.815 1.00 0.00 C ATOM 734 O ASP A 50 -3.776 2.781 6.663 1.00 0.00 O ATOM 735 CB ASP A 50 -1.100 2.998 8.333 1.00 0.00 C ATOM 736 CG ASP A 50 -1.070 3.379 9.806 1.00 0.00 C ATOM 737 OD1 ASP A 50 -2.034 4.010 10.289 1.00 0.00 O ATOM 738 OD2 ASP A 50 -0.108 3.016 10.513 1.00 0.00 O ATOM 0 H ASP A 50 -1.771 1.528 6.100 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.124 1.276 9.032 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.108 2.684 8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.375 3.863 7.729 1.00 0.00 H new ATOM 743 N VAL A 51 -4.352 2.495 8.833 1.00 0.00 N ATOM 744 CA VAL A 51 -5.726 2.972 8.755 1.00 0.00 C ATOM 745 C VAL A 51 -5.771 4.472 9.039 1.00 0.00 C ATOM 746 O VAL A 51 -5.704 4.897 10.197 1.00 0.00 O ATOM 747 CB VAL A 51 -6.597 2.171 9.751 1.00 0.00 C ATOM 748 CG1 VAL A 51 -8.076 2.585 9.719 1.00 0.00 C ATOM 749 CG2 VAL A 51 -6.541 0.666 9.459 1.00 0.00 C ATOM 0 H VAL A 51 -4.093 2.204 9.776 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.124 2.817 7.752 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.180 2.393 10.733 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.636 1.988 10.439 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.164 3.641 9.976 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.478 2.420 8.720 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.164 0.133 10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.908 0.477 8.450 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.512 0.317 9.542 1.00 0.00 H new ATOM 759 N ALA A 52 -5.912 5.286 7.995 1.00 0.00 N ATOM 760 CA ALA A 52 -5.990 6.734 8.097 1.00 0.00 C ATOM 761 C ALA A 52 -7.366 7.191 7.611 1.00 0.00 C ATOM 762 O ALA A 52 -8.086 6.456 6.929 1.00 0.00 O ATOM 763 CB ALA A 52 -4.847 7.366 7.298 1.00 0.00 C ATOM 0 H ALA A 52 -5.976 4.946 7.036 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.877 7.058 9.132 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.906 8.452 7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.892 7.025 7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.928 7.071 6.252 1.00 0.00 H new ATOM 769 N ASP A 53 -7.727 8.432 7.934 1.00 0.00 N ATOM 770 CA ASP A 53 -8.993 9.061 7.566 1.00 0.00 C ATOM 771 C ASP A 53 -10.174 8.149 7.889 1.00 0.00 C ATOM 772 O ASP A 53 -10.996 7.872 7.024 1.00 0.00 O ATOM 773 CB ASP A 53 -8.974 9.524 6.098 1.00 0.00 C ATOM 774 CG ASP A 53 -8.173 10.801 5.866 1.00 0.00 C ATOM 775 OD1 ASP A 53 -7.064 10.979 6.425 1.00 0.00 O ATOM 776 OD2 ASP A 53 -8.684 11.671 5.126 1.00 0.00 O ATOM 0 H ASP A 53 -7.124 9.048 8.479 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.123 9.958 8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.558 8.728 5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.999 9.683 5.764 1.00 0.00 H new ATOM 781 N GLN A 54 -10.261 7.649 9.126 1.00 0.00 N ATOM 782 CA GLN A 54 -11.324 6.757 9.608 1.00 0.00 C ATOM 783 C GLN A 54 -11.432 5.432 8.831 1.00 0.00 C ATOM 784 O GLN A 54 -12.326 4.636 9.124 1.00 0.00 O ATOM 785 CB GLN A 54 -12.686 7.483 9.624 1.00 0.00 C ATOM 786 CG GLN A 54 -12.669 8.846 10.327 1.00 0.00 C ATOM 787 CD GLN A 54 -14.016 9.549 10.224 1.00 0.00 C ATOM 788 OE1 GLN A 54 -15.070 8.942 10.398 1.00 0.00 O ATOM 789 NE2 GLN A 54 -14.025 10.847 9.975 1.00 0.00 N ATOM 0 H GLN A 54 -9.570 7.861 9.845 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.041 6.488 10.626 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -13.022 7.622 8.596 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.419 6.843 10.115 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.408 8.711 11.377 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.896 9.474 9.885 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -13.146 11.345 9.832 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -14.911 11.351 9.926 1.00 0.00 H new ATOM 798 N GLY A 55 -10.528 5.181 7.884 1.00 0.00 N ATOM 799 CA GLY A 55 -10.458 4.015 7.023 1.00 0.00 C ATOM 800 C GLY A 55 -10.507 4.411 5.547 1.00 0.00 C ATOM 801 O GLY A 55 -10.121 3.607 4.700 1.00 0.00 O ATOM 0 H GLY A 55 -9.773 5.839 7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.538 3.466 7.224 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.286 3.343 7.249 1.00 0.00 H new ATOM 805 N TYR A 56 -10.933 5.637 5.213 1.00 0.00 N ATOM 806 CA TYR A 56 -11.031 6.116 3.835 1.00 0.00 C ATOM 807 C TYR A 56 -9.662 6.279 3.161 1.00 0.00 C ATOM 808 O TYR A 56 -9.610 6.561 1.961 1.00 0.00 O ATOM 809 CB TYR A 56 -11.803 7.448 3.759 1.00 0.00 C ATOM 810 CG TYR A 56 -13.098 7.555 4.552 1.00 0.00 C ATOM 811 CD1 TYR A 56 -14.137 6.619 4.382 1.00 0.00 C ATOM 812 CD2 TYR A 56 -13.277 8.624 5.449 1.00 0.00 C ATOM 813 CE1 TYR A 56 -15.326 6.720 5.129 1.00 0.00 C ATOM 814 CE2 TYR A 56 -14.449 8.732 6.211 1.00 0.00 C ATOM 815 CZ TYR A 56 -15.475 7.775 6.064 1.00 0.00 C ATOM 816 OH TYR A 56 -16.592 7.908 6.831 1.00 0.00 O ATOM 0 H TYR A 56 -11.222 6.330 5.904 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.580 5.347 3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -11.137 8.243 4.094 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -12.032 7.645 2.712 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -14.020 5.815 3.671 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -12.503 9.370 5.552 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -16.118 5.999 4.991 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -14.566 9.547 6.910 1.00 0.00 H new ATOM 0 HH TYR A 56 -16.500 8.694 7.409 1.00 0.00 H new ATOM 826 N THR A 57 -8.553 6.173 3.895 1.00 0.00 N ATOM 827 CA THR A 57 -7.204 6.289 3.366 1.00 0.00 C ATOM 828 C THR A 57 -6.405 5.115 3.918 1.00 0.00 C ATOM 829 O THR A 57 -6.361 4.910 5.131 1.00 0.00 O ATOM 830 CB THR A 57 -6.592 7.648 3.734 1.00 0.00 C ATOM 831 OG1 THR A 57 -7.383 8.686 3.184 1.00 0.00 O ATOM 832 CG2 THR A 57 -5.171 7.818 3.197 1.00 0.00 C ATOM 0 H THR A 57 -8.575 5.999 4.900 1.00 0.00 H new ATOM 0 HA THR A 57 -7.198 6.250 2.277 1.00 0.00 H new ATOM 0 HB THR A 57 -6.561 7.694 4.823 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.994 9.554 3.420 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.787 8.796 3.487 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.530 7.040 3.611 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.181 7.739 2.110 1.00 0.00 H new ATOM 840 N LEU A 58 -5.802 4.335 3.026 1.00 0.00 N ATOM 841 CA LEU A 58 -4.988 3.183 3.368 1.00 0.00 C ATOM 842 C LEU A 58 -3.580 3.516 2.935 1.00 0.00 C ATOM 843 O LEU A 58 -3.310 3.684 1.742 1.00 0.00 O ATOM 844 CB LEU A 58 -5.533 1.901 2.720 1.00 0.00 C ATOM 845 CG LEU A 58 -6.837 1.409 3.376 1.00 0.00 C ATOM 846 CD1 LEU A 58 -7.300 0.109 2.711 1.00 0.00 C ATOM 847 CD2 LEU A 58 -6.688 1.186 4.884 1.00 0.00 C ATOM 0 H LEU A 58 -5.870 4.494 2.021 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.007 2.979 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.711 2.082 1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.779 1.116 2.787 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.581 2.192 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.223 -0.232 3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.477 0.286 1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.530 -0.654 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.636 0.840 5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.918 0.437 5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.404 2.123 5.364 1.00 0.00 H new ATOM 859 N ASN A 59 -2.699 3.705 3.916 1.00 0.00 N ATOM 860 CA ASN A 59 -1.310 4.029 3.636 1.00 0.00 C ATOM 861 C ASN A 59 -0.567 2.716 3.538 1.00 0.00 C ATOM 862 O ASN A 59 -0.294 2.101 4.567 1.00 0.00 O ATOM 863 CB ASN A 59 -0.679 4.925 4.707 1.00 0.00 C ATOM 864 CG ASN A 59 -1.373 6.269 4.833 1.00 0.00 C ATOM 865 OD1 ASN A 59 -1.713 6.917 3.842 1.00 0.00 O ATOM 866 ND2 ASN A 59 -1.605 6.702 6.059 1.00 0.00 N ATOM 0 H ASN A 59 -2.926 3.639 4.908 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.251 4.598 2.708 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.712 4.413 5.668 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.372 5.085 4.467 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.077 7.594 6.204 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.312 6.144 6.861 1.00 0.00 H new ATOM 873 N ILE A 60 -0.309 2.241 2.327 1.00 0.00 N ATOM 874 CA ILE A 60 0.384 0.994 2.055 1.00 0.00 C ATOM 875 C ILE A 60 1.870 1.325 1.900 1.00 0.00 C ATOM 876 O ILE A 60 2.235 2.234 1.155 1.00 0.00 O ATOM 877 CB ILE A 60 -0.217 0.320 0.798 1.00 0.00 C ATOM 878 CG1 ILE A 60 -1.765 0.295 0.850 1.00 0.00 C ATOM 879 CG2 ILE A 60 0.394 -1.078 0.635 1.00 0.00 C ATOM 880 CD1 ILE A 60 -2.445 -0.521 -0.250 1.00 0.00 C ATOM 0 H ILE A 60 -0.588 2.733 1.478 1.00 0.00 H new ATOM 0 HA ILE A 60 0.266 0.278 2.868 1.00 0.00 H new ATOM 0 HB ILE A 60 0.037 0.907 -0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.073 -0.103 1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.130 1.321 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.026 -1.558 -0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.475 -0.992 0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.168 -1.679 1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.526 -0.473 -0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.176 -0.113 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.118 -1.559 -0.188 1.00 0.00 H new ATOM 892 N GLN A 61 2.732 0.601 2.610 1.00 0.00 N ATOM 893 CA GLN A 61 4.175 0.779 2.589 1.00 0.00 C ATOM 894 C GLN A 61 4.831 -0.570 2.367 1.00 0.00 C ATOM 895 O GLN A 61 4.422 -1.553 2.984 1.00 0.00 O ATOM 896 CB GLN A 61 4.654 1.363 3.925 1.00 0.00 C ATOM 897 CG GLN A 61 4.382 2.870 4.008 1.00 0.00 C ATOM 898 CD GLN A 61 5.119 3.536 5.159 1.00 0.00 C ATOM 899 OE1 GLN A 61 4.506 4.176 6.009 1.00 0.00 O ATOM 900 NE2 GLN A 61 6.438 3.457 5.178 1.00 0.00 N ATOM 0 H GLN A 61 2.432 -0.148 3.234 1.00 0.00 H new ATOM 0 HA GLN A 61 4.444 1.465 1.786 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.150 0.855 4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.722 1.178 4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.679 3.341 3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.311 3.036 4.123 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.927 2.920 4.462 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.967 3.933 5.909 1.00 0.00 H new ATOM 909 N PHE A 62 5.812 -0.623 1.469 1.00 0.00 N ATOM 910 CA PHE A 62 6.553 -1.845 1.168 1.00 0.00 C ATOM 911 C PHE A 62 7.860 -1.837 1.967 1.00 0.00 C ATOM 912 O PHE A 62 8.381 -0.764 2.287 1.00 0.00 O ATOM 913 CB PHE A 62 6.848 -1.932 -0.333 1.00 0.00 C ATOM 914 CG PHE A 62 5.676 -2.334 -1.213 1.00 0.00 C ATOM 915 CD1 PHE A 62 5.407 -3.697 -1.438 1.00 0.00 C ATOM 916 CD2 PHE A 62 4.907 -1.362 -1.879 1.00 0.00 C ATOM 917 CE1 PHE A 62 4.433 -4.085 -2.376 1.00 0.00 C ATOM 918 CE2 PHE A 62 3.941 -1.748 -2.824 1.00 0.00 C ATOM 919 CZ PHE A 62 3.726 -3.108 -3.099 1.00 0.00 C ATOM 0 H PHE A 62 6.117 0.185 0.927 1.00 0.00 H new ATOM 0 HA PHE A 62 5.957 -2.714 1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.215 -0.962 -0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.655 -2.649 -0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.952 -4.450 -0.887 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.060 -0.315 -1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.228 -5.133 -2.541 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.362 -0.996 -3.340 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.021 -3.402 -3.862 1.00 0.00 H new ATOM 929 N ALA A 63 8.423 -3.023 2.218 1.00 0.00 N ATOM 930 CA ALA A 63 9.671 -3.222 2.957 1.00 0.00 C ATOM 931 C ALA A 63 10.844 -3.631 2.053 1.00 0.00 C ATOM 932 O ALA A 63 11.991 -3.625 2.508 1.00 0.00 O ATOM 933 CB ALA A 63 9.449 -4.285 4.040 1.00 0.00 C ATOM 0 H ALA A 63 8.008 -3.899 1.901 1.00 0.00 H new ATOM 0 HA ALA A 63 9.942 -2.267 3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.375 -4.438 4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.668 -3.951 4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.146 -5.222 3.573 1.00 0.00 H new ATOM 939 N GLY A 64 10.600 -3.940 0.777 1.00 0.00 N ATOM 940 CA GLY A 64 11.632 -4.352 -0.165 1.00 0.00 C ATOM 941 C GLY A 64 11.833 -5.869 -0.124 1.00 0.00 C ATOM 942 O GLY A 64 11.361 -6.564 0.780 1.00 0.00 O ATOM 0 H GLY A 64 9.666 -3.909 0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.354 -4.045 -1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.570 -3.850 0.074 1.00 0.00 H new TER 946 GLY A 64