USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 811 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 72 TYR OH : rot 180:sc= -0.0836 USER MOD Set 1.2: A 89 GLN : amide:sc= -0.372 K(o=-0.46,f=-1.1) USER MOD Set 1.3: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 11 SER OG : rot -62:sc= 0.502 USER MOD Set 2.2: A 31 GLN : amide:sc= 0.542 K(o=1,f=-1.5) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0783 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.015) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 40 TYR OH : rot 180:sc= -1.31 USER MOD Single : A 41 SER OG : rot 29:sc= 0.554 USER MOD Single : A 45 TYR OH : rot 136:sc= 0.293 USER MOD Single : A 46 SER OG : rot 24:sc= 0.224 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= 0.00233 (180deg=0.00133) USER MOD Single : A 52 GLN : amide:sc= -0.132 K(o=-0.13,f=-2.2!) USER MOD Single : A 57 LYS NZ :NH3+ 143:sc= -0.507 (180deg=-2.14!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 150:sc= 0 USER MOD Single : A 73 CYS SG : rot 98:sc= 0.134 USER MOD Single : A 76 LYS NZ :NH3+ -137:sc= 0.629 (180deg=-0.431) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -10.9! C(o=-11!,f=-15!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.443 USER MOD Single : A 86 TYR OH : rot 70:sc= 0.0898 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -3.03 X(o=-3,f=-3) USER MOD Single : A 99 LYS NZ :NH3+ -132:sc= 0.366 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 95:sc= 0.88 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.992 -7.943 14.661 1.00 0.00 N ATOM 2 CA GLY A 1 7.451 -8.931 13.746 1.00 0.00 C ATOM 3 C GLY A 1 7.475 -10.332 14.325 1.00 0.00 C ATOM 4 O GLY A 1 7.799 -10.521 15.497 1.00 0.00 O ATOM 0 H1 GLY A 1 7.293 -7.188 14.810 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.211 -8.396 15.571 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.861 -7.536 14.259 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.425 -8.664 13.492 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.023 -8.915 12.819 1.00 0.00 H new ATOM 8 N SER A 2 7.130 -11.317 13.502 1.00 0.00 N ATOM 9 CA SER A 2 7.109 -12.707 13.940 1.00 0.00 C ATOM 10 C SER A 2 7.471 -13.645 12.792 1.00 0.00 C ATOM 11 O SER A 2 7.628 -13.213 11.650 1.00 0.00 O ATOM 12 CB SER A 2 5.728 -13.068 14.493 1.00 0.00 C ATOM 13 OG SER A 2 4.776 -13.185 13.450 1.00 0.00 O ATOM 0 H SER A 2 6.861 -11.178 12.528 1.00 0.00 H new ATOM 0 HA SER A 2 7.851 -12.825 14.729 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.787 -14.007 15.043 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.405 -12.304 15.201 1.00 0.00 H new ATOM 0 HG SER A 2 3.903 -13.418 13.829 1.00 0.00 H new ATOM 19 N SER A 3 7.601 -14.930 13.105 1.00 0.00 N ATOM 20 CA SER A 3 7.948 -15.929 12.101 1.00 0.00 C ATOM 21 C SER A 3 6.720 -16.336 11.292 1.00 0.00 C ATOM 22 O SER A 3 5.593 -15.982 11.633 1.00 0.00 O ATOM 23 CB SER A 3 8.564 -17.160 12.768 1.00 0.00 C ATOM 24 OG SER A 3 9.370 -17.885 11.856 1.00 0.00 O ATOM 0 H SER A 3 7.471 -15.304 14.045 1.00 0.00 H new ATOM 0 HA SER A 3 8.678 -15.488 11.423 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.165 -16.851 13.623 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.772 -17.804 13.150 1.00 0.00 H new ATOM 0 HG SER A 3 9.753 -18.666 12.307 1.00 0.00 H new ATOM 30 N GLY A 4 6.949 -17.083 10.216 1.00 0.00 N ATOM 31 CA GLY A 4 5.853 -17.527 9.374 1.00 0.00 C ATOM 32 C GLY A 4 5.675 -19.032 9.399 1.00 0.00 C ATOM 33 O GLY A 4 6.574 -19.776 9.007 1.00 0.00 O ATOM 0 H GLY A 4 7.874 -17.389 9.912 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.930 -17.050 9.703 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.032 -17.202 8.349 1.00 0.00 H new ATOM 37 N SER A 5 4.513 -19.481 9.862 1.00 0.00 N ATOM 38 CA SER A 5 4.223 -20.908 9.942 1.00 0.00 C ATOM 39 C SER A 5 4.277 -21.552 8.560 1.00 0.00 C ATOM 40 O SER A 5 3.839 -20.963 7.571 1.00 0.00 O ATOM 41 CB SER A 5 2.845 -21.135 10.568 1.00 0.00 C ATOM 42 OG SER A 5 2.729 -22.452 11.079 1.00 0.00 O ATOM 0 H SER A 5 3.757 -18.878 10.187 1.00 0.00 H new ATOM 0 HA SER A 5 4.982 -21.373 10.571 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.683 -20.415 11.370 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.070 -20.961 9.822 1.00 0.00 H new ATOM 0 HG SER A 5 1.841 -22.572 11.475 1.00 0.00 H new ATOM 48 N SER A 6 4.819 -22.764 8.499 1.00 0.00 N ATOM 49 CA SER A 6 4.936 -23.487 7.238 1.00 0.00 C ATOM 50 C SER A 6 3.700 -24.346 6.989 1.00 0.00 C ATOM 51 O SER A 6 3.527 -25.398 7.603 1.00 0.00 O ATOM 52 CB SER A 6 6.188 -24.365 7.244 1.00 0.00 C ATOM 53 OG SER A 6 7.365 -23.575 7.270 1.00 0.00 O ATOM 0 H SER A 6 5.184 -23.266 9.308 1.00 0.00 H new ATOM 0 HA SER A 6 5.018 -22.756 6.434 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.170 -25.024 8.112 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.193 -25.002 6.360 1.00 0.00 H new ATOM 0 HG SER A 6 8.151 -24.160 7.275 1.00 0.00 H new ATOM 59 N GLY A 7 2.842 -23.889 6.082 1.00 0.00 N ATOM 60 CA GLY A 7 1.633 -24.626 5.766 1.00 0.00 C ATOM 61 C GLY A 7 0.376 -23.878 6.166 1.00 0.00 C ATOM 62 O GLY A 7 -0.620 -23.895 5.444 1.00 0.00 O ATOM 0 H GLY A 7 2.963 -23.021 5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.605 -24.830 4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.656 -25.590 6.274 1.00 0.00 H new ATOM 66 N MET A 8 0.423 -23.221 7.321 1.00 0.00 N ATOM 67 CA MET A 8 -0.721 -22.464 7.815 1.00 0.00 C ATOM 68 C MET A 8 -0.735 -21.056 7.230 1.00 0.00 C ATOM 69 O MET A 8 0.177 -20.265 7.469 1.00 0.00 O ATOM 70 CB MET A 8 -0.691 -22.394 9.343 1.00 0.00 C ATOM 71 CG MET A 8 -1.932 -21.758 9.947 1.00 0.00 C ATOM 72 SD MET A 8 -3.329 -22.896 10.024 1.00 0.00 S ATOM 73 CE MET A 8 -4.247 -22.213 11.402 1.00 0.00 C ATOM 0 H MET A 8 1.240 -23.198 7.931 1.00 0.00 H new ATOM 0 HA MET A 8 -1.629 -22.978 7.499 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.578 -23.402 9.742 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.186 -21.827 9.655 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.701 -21.404 10.952 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.212 -20.885 9.357 1.00 0.00 H new ATOM 0 HE1 MET A 8 -5.143 -22.810 11.574 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.624 -22.227 12.296 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.534 -21.186 11.175 1.00 0.00 H new ATOM 83 N SER A 9 -1.776 -20.749 6.462 1.00 0.00 N ATOM 84 CA SER A 9 -1.906 -19.437 5.839 1.00 0.00 C ATOM 85 C SER A 9 -2.583 -18.451 6.787 1.00 0.00 C ATOM 86 O SER A 9 -3.137 -18.841 7.816 1.00 0.00 O ATOM 87 CB SER A 9 -2.706 -19.544 4.539 1.00 0.00 C ATOM 88 OG SER A 9 -2.307 -18.549 3.612 1.00 0.00 O ATOM 0 H SER A 9 -2.541 -21.391 6.256 1.00 0.00 H new ATOM 0 HA SER A 9 -0.906 -19.068 5.612 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.564 -20.532 4.101 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.770 -19.441 4.753 1.00 0.00 H new ATOM 0 HG SER A 9 -2.831 -18.639 2.789 1.00 0.00 H new ATOM 94 N LEU A 10 -2.534 -17.172 6.433 1.00 0.00 N ATOM 95 CA LEU A 10 -3.141 -16.128 7.250 1.00 0.00 C ATOM 96 C LEU A 10 -4.331 -15.498 6.533 1.00 0.00 C ATOM 97 O LEU A 10 -5.470 -15.602 6.990 1.00 0.00 O ATOM 98 CB LEU A 10 -2.108 -15.052 7.589 1.00 0.00 C ATOM 99 CG LEU A 10 -1.158 -15.374 8.743 1.00 0.00 C ATOM 100 CD1 LEU A 10 -1.837 -15.121 10.080 1.00 0.00 C ATOM 101 CD2 LEU A 10 -0.676 -16.814 8.651 1.00 0.00 C ATOM 0 H LEU A 10 -2.080 -16.833 5.585 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.497 -16.585 8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.512 -14.855 6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.638 -14.130 7.828 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.292 -14.717 8.669 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.146 -15.356 10.889 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.131 -14.074 10.146 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.722 -15.752 10.164 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.001 -17.025 9.480 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.531 -17.488 8.699 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.150 -16.962 7.708 1.00 0.00 H new ATOM 113 N SER A 11 -4.060 -14.846 5.407 1.00 0.00 N ATOM 114 CA SER A 11 -5.108 -14.198 4.627 1.00 0.00 C ATOM 115 C SER A 11 -5.175 -14.780 3.218 1.00 0.00 C ATOM 116 O SER A 11 -4.332 -15.588 2.828 1.00 0.00 O ATOM 117 CB SER A 11 -4.862 -12.690 4.557 1.00 0.00 C ATOM 118 OG SER A 11 -3.801 -12.387 3.668 1.00 0.00 O ATOM 0 H SER A 11 -3.123 -14.752 5.014 1.00 0.00 H new ATOM 0 HA SER A 11 -6.061 -14.381 5.123 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.771 -12.185 4.229 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.627 -12.310 5.551 1.00 0.00 H new ATOM 0 HG SER A 11 -2.974 -12.800 3.993 1.00 0.00 H new ATOM 124 N ASP A 12 -6.183 -14.364 2.461 1.00 0.00 N ATOM 125 CA ASP A 12 -6.362 -14.842 1.094 1.00 0.00 C ATOM 126 C ASP A 12 -5.967 -13.767 0.087 1.00 0.00 C ATOM 127 O ASP A 12 -5.226 -14.032 -0.860 1.00 0.00 O ATOM 128 CB ASP A 12 -7.814 -15.264 0.865 1.00 0.00 C ATOM 129 CG ASP A 12 -8.110 -15.550 -0.594 1.00 0.00 C ATOM 130 OD1 ASP A 12 -7.560 -16.535 -1.129 1.00 0.00 O ATOM 131 OD2 ASP A 12 -8.890 -14.787 -1.202 1.00 0.00 O ATOM 0 H ASP A 12 -6.890 -13.696 2.770 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.714 -15.706 0.949 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.029 -16.153 1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.479 -14.476 1.220 1.00 0.00 H new ATOM 136 N TRP A 13 -6.466 -12.554 0.297 1.00 0.00 N ATOM 137 CA TRP A 13 -6.165 -11.439 -0.594 1.00 0.00 C ATOM 138 C TRP A 13 -4.707 -11.015 -0.462 1.00 0.00 C ATOM 139 O TRP A 13 -4.227 -10.742 0.638 1.00 0.00 O ATOM 140 CB TRP A 13 -7.084 -10.255 -0.290 1.00 0.00 C ATOM 141 CG TRP A 13 -6.783 -9.042 -1.118 1.00 0.00 C ATOM 142 CD1 TRP A 13 -5.622 -8.323 -1.126 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.658 -8.406 -2.056 1.00 0.00 C ATOM 144 NE1 TRP A 13 -5.723 -7.278 -2.013 1.00 0.00 N ATOM 145 CE2 TRP A 13 -6.961 -7.308 -2.597 1.00 0.00 C ATOM 146 CE3 TRP A 13 -8.961 -8.659 -2.493 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.526 -6.465 -3.551 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.520 -7.821 -3.439 1.00 0.00 C ATOM 149 CH2 TRP A 13 -8.803 -6.736 -3.960 1.00 0.00 C ATOM 0 H TRP A 13 -7.081 -12.318 1.076 1.00 0.00 H new ATOM 0 HA TRP A 13 -6.336 -11.768 -1.619 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.118 -10.554 -0.459 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.995 -9.997 0.765 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.753 -8.543 -0.524 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.994 -6.591 -2.205 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.521 -9.494 -2.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.976 -5.627 -3.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.527 -8.006 -3.783 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -9.268 -6.101 -4.699 1.00 0.00 H new ATOM 160 N HIS A 14 -4.006 -10.960 -1.591 1.00 0.00 N ATOM 161 CA HIS A 14 -2.602 -10.568 -1.600 1.00 0.00 C ATOM 162 C HIS A 14 -2.338 -9.517 -2.676 1.00 0.00 C ATOM 163 O HIS A 14 -2.924 -9.562 -3.758 1.00 0.00 O ATOM 164 CB HIS A 14 -1.711 -11.788 -1.834 1.00 0.00 C ATOM 165 CG HIS A 14 -1.470 -12.085 -3.282 1.00 0.00 C ATOM 166 ND1 HIS A 14 -2.412 -12.679 -4.096 1.00 0.00 N ATOM 167 CD2 HIS A 14 -0.386 -11.865 -4.063 1.00 0.00 C ATOM 168 CE1 HIS A 14 -1.917 -12.813 -5.313 1.00 0.00 C ATOM 169 NE2 HIS A 14 -0.689 -12.327 -5.320 1.00 0.00 N ATOM 0 H HIS A 14 -4.388 -11.182 -2.510 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.365 -10.136 -0.628 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.753 -11.628 -1.340 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.170 -12.658 -1.365 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.544 -11.411 -3.755 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.429 -13.247 -6.159 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.067 -12.299 -6.128 1.00 0.00 H new ATOM 178 N LEU A 15 -1.455 -8.573 -2.370 1.00 0.00 N ATOM 179 CA LEU A 15 -1.115 -7.511 -3.309 1.00 0.00 C ATOM 180 C LEU A 15 0.397 -7.337 -3.410 1.00 0.00 C ATOM 181 O LEU A 15 1.136 -7.695 -2.493 1.00 0.00 O ATOM 182 CB LEU A 15 -1.764 -6.194 -2.878 1.00 0.00 C ATOM 183 CG LEU A 15 -1.840 -5.102 -3.946 1.00 0.00 C ATOM 184 CD1 LEU A 15 -2.859 -5.470 -5.013 1.00 0.00 C ATOM 185 CD2 LEU A 15 -2.187 -3.762 -3.314 1.00 0.00 C ATOM 0 H LEU A 15 -0.962 -8.522 -1.479 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.496 -7.792 -4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.775 -6.407 -2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.211 -5.802 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.863 -5.015 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.900 -4.682 -5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.568 -6.408 -5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.841 -5.585 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.237 -2.997 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.152 -3.835 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.421 -3.493 -2.587 1.00 0.00 H new ATOM 197 N ALA A 16 0.850 -6.783 -4.530 1.00 0.00 N ATOM 198 CA ALA A 16 2.274 -6.557 -4.749 1.00 0.00 C ATOM 199 C ALA A 16 2.645 -5.101 -4.487 1.00 0.00 C ATOM 200 O ALA A 16 1.804 -4.208 -4.585 1.00 0.00 O ATOM 201 CB ALA A 16 2.660 -6.956 -6.165 1.00 0.00 C ATOM 0 H ALA A 16 0.252 -6.482 -5.300 1.00 0.00 H new ATOM 0 HA ALA A 16 2.828 -7.178 -4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.726 -6.782 -6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.440 -8.013 -6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.091 -6.360 -6.879 1.00 0.00 H new ATOM 207 N VAL A 17 3.911 -4.869 -4.154 1.00 0.00 N ATOM 208 CA VAL A 17 4.394 -3.521 -3.879 1.00 0.00 C ATOM 209 C VAL A 17 5.788 -3.308 -4.459 1.00 0.00 C ATOM 210 O VAL A 17 6.645 -4.189 -4.384 1.00 0.00 O ATOM 211 CB VAL A 17 4.430 -3.236 -2.366 1.00 0.00 C ATOM 212 CG1 VAL A 17 4.921 -1.821 -2.101 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.057 -3.457 -1.750 1.00 0.00 C ATOM 0 H VAL A 17 4.620 -5.597 -4.068 1.00 0.00 H new ATOM 0 HA VAL A 17 3.697 -2.831 -4.355 1.00 0.00 H new ATOM 0 HB VAL A 17 5.128 -3.931 -1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.940 -1.638 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.926 -1.702 -2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.250 -1.107 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.101 -3.251 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.336 -2.788 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.749 -4.491 -1.908 1.00 0.00 H new ATOM 223 N LYS A 18 6.009 -2.132 -5.037 1.00 0.00 N ATOM 224 CA LYS A 18 7.300 -1.800 -5.628 1.00 0.00 C ATOM 225 C LYS A 18 7.718 -0.380 -5.260 1.00 0.00 C ATOM 226 O LYS A 18 6.892 0.533 -5.229 1.00 0.00 O ATOM 227 CB LYS A 18 7.239 -1.947 -7.150 1.00 0.00 C ATOM 228 CG LYS A 18 7.291 -3.389 -7.625 1.00 0.00 C ATOM 229 CD LYS A 18 8.684 -3.977 -7.471 1.00 0.00 C ATOM 230 CE LYS A 18 9.630 -3.454 -8.541 1.00 0.00 C ATOM 231 NZ LYS A 18 10.725 -4.421 -8.833 1.00 0.00 N ATOM 0 H LYS A 18 5.310 -1.393 -5.109 1.00 0.00 H new ATOM 0 HA LYS A 18 8.042 -2.492 -5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.321 -1.486 -7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.069 -1.397 -7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.578 -3.986 -7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.987 -3.440 -8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.077 -3.731 -6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.630 -5.064 -7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.070 -3.253 -9.454 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.059 -2.507 -8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.348 -4.028 -9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.275 -4.594 -7.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.317 -5.317 -9.168 1.00 0.00 H new ATOM 245 N LEU A 19 9.005 -0.201 -4.983 1.00 0.00 N ATOM 246 CA LEU A 19 9.533 1.109 -4.618 1.00 0.00 C ATOM 247 C LEU A 19 9.952 1.892 -5.859 1.00 0.00 C ATOM 248 O LEU A 19 10.929 1.546 -6.523 1.00 0.00 O ATOM 249 CB LEU A 19 10.726 0.955 -3.673 1.00 0.00 C ATOM 250 CG LEU A 19 11.104 2.194 -2.862 1.00 0.00 C ATOM 251 CD1 LEU A 19 10.326 2.236 -1.556 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.602 2.219 -2.593 1.00 0.00 C ATOM 0 H LEU A 19 9.702 -0.946 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 19 8.743 1.663 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.511 0.143 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.593 0.652 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 19 10.844 3.078 -3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.609 3.125 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.258 2.266 -1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.553 1.347 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.853 3.108 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.886 1.329 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.141 2.238 -3.540 1.00 0.00 H new ATOM 264 N ALA A 20 9.207 2.949 -6.164 1.00 0.00 N ATOM 265 CA ALA A 20 9.503 3.783 -7.322 1.00 0.00 C ATOM 266 C ALA A 20 10.897 4.392 -7.218 1.00 0.00 C ATOM 267 O ALA A 20 11.562 4.622 -8.229 1.00 0.00 O ATOM 268 CB ALA A 20 8.456 4.879 -7.465 1.00 0.00 C ATOM 0 H ALA A 20 8.394 3.248 -5.625 1.00 0.00 H new ATOM 0 HA ALA A 20 9.476 3.151 -8.210 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.690 5.494 -8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.472 4.428 -7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.456 5.501 -6.570 1.00 0.00 H new ATOM 274 N ASP A 21 11.335 4.651 -5.991 1.00 0.00 N ATOM 275 CA ASP A 21 12.651 5.233 -5.755 1.00 0.00 C ATOM 276 C ASP A 21 13.755 4.274 -6.191 1.00 0.00 C ATOM 277 O ASP A 21 14.789 4.697 -6.706 1.00 0.00 O ATOM 278 CB ASP A 21 12.819 5.585 -4.276 1.00 0.00 C ATOM 279 CG ASP A 21 13.949 6.568 -4.040 1.00 0.00 C ATOM 280 OD1 ASP A 21 14.199 7.409 -4.929 1.00 0.00 O ATOM 281 OD2 ASP A 21 14.584 6.496 -2.967 1.00 0.00 O ATOM 0 H ASP A 21 10.798 4.467 -5.144 1.00 0.00 H new ATOM 0 HA ASP A 21 12.730 6.144 -6.348 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.888 6.008 -3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.009 4.674 -3.708 1.00 0.00 H new ATOM 286 N GLN A 22 13.527 2.982 -5.979 1.00 0.00 N ATOM 287 CA GLN A 22 14.503 1.964 -6.348 1.00 0.00 C ATOM 288 C GLN A 22 13.859 0.875 -7.199 1.00 0.00 C ATOM 289 O GLN A 22 13.280 -0.085 -6.690 1.00 0.00 O ATOM 290 CB GLN A 22 15.126 1.346 -5.095 1.00 0.00 C ATOM 291 CG GLN A 22 15.702 2.372 -4.133 1.00 0.00 C ATOM 292 CD GLN A 22 16.663 1.759 -3.133 1.00 0.00 C ATOM 293 OE1 GLN A 22 17.717 1.242 -3.504 1.00 0.00 O ATOM 294 NE2 GLN A 22 16.304 1.815 -1.855 1.00 0.00 N ATOM 0 H GLN A 22 12.675 2.616 -5.554 1.00 0.00 H new ATOM 0 HA GLN A 22 15.286 2.444 -6.936 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.370 0.758 -4.576 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.916 0.657 -5.394 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.219 3.146 -4.700 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.888 2.859 -3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.421 2.253 -1.592 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.911 1.420 -1.137 1.00 0.00 H new ATOM 303 N PRO A 23 13.960 1.025 -8.528 1.00 0.00 N ATOM 304 CA PRO A 23 13.393 0.064 -9.479 1.00 0.00 C ATOM 305 C PRO A 23 14.140 -1.265 -9.474 1.00 0.00 C ATOM 306 O PRO A 23 13.747 -2.212 -10.157 1.00 0.00 O ATOM 307 CB PRO A 23 13.556 0.764 -10.831 1.00 0.00 C ATOM 308 CG PRO A 23 14.702 1.696 -10.639 1.00 0.00 C ATOM 309 CD PRO A 23 14.636 2.145 -9.205 1.00 0.00 C ATOM 0 HA PRO A 23 12.361 -0.189 -9.236 1.00 0.00 H new ATOM 0 HB2 PRO A 23 13.758 0.047 -11.626 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.650 1.302 -11.110 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.649 1.198 -10.849 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.631 2.546 -11.318 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.630 2.323 -8.793 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.077 3.075 -9.100 1.00 0.00 H new ATOM 317 N LEU A 24 15.217 -1.330 -8.700 1.00 0.00 N ATOM 318 CA LEU A 24 16.019 -2.545 -8.606 1.00 0.00 C ATOM 319 C LEU A 24 15.711 -3.302 -7.318 1.00 0.00 C ATOM 320 O LEU A 24 15.839 -4.525 -7.260 1.00 0.00 O ATOM 321 CB LEU A 24 17.509 -2.202 -8.666 1.00 0.00 C ATOM 322 CG LEU A 24 17.942 -1.289 -9.813 1.00 0.00 C ATOM 323 CD1 LEU A 24 19.204 -0.526 -9.441 1.00 0.00 C ATOM 324 CD2 LEU A 24 18.160 -2.097 -11.084 1.00 0.00 C ATOM 0 H LEU A 24 15.555 -0.556 -8.128 1.00 0.00 H new ATOM 0 HA LEU A 24 15.766 -3.185 -9.451 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.790 -1.729 -7.725 1.00 0.00 H new ATOM 0 HB3 LEU A 24 18.073 -3.132 -8.736 1.00 0.00 H new ATOM 0 HG LEU A 24 17.147 -0.567 -9.997 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.497 0.119 -10.270 1.00 0.00 H new ATOM 0 HD12 LEU A 24 19.014 0.083 -8.557 1.00 0.00 H new ATOM 0 HD13 LEU A 24 20.007 -1.232 -9.229 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.468 -1.431 -11.890 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.937 -2.842 -10.913 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.232 -2.597 -11.361 1.00 0.00 H new ATOM 336 N ALA A 25 15.303 -2.568 -6.289 1.00 0.00 N ATOM 337 CA ALA A 25 14.973 -3.170 -5.003 1.00 0.00 C ATOM 338 C ALA A 25 14.024 -4.351 -5.178 1.00 0.00 C ATOM 339 O ALA A 25 13.295 -4.451 -6.165 1.00 0.00 O ATOM 340 CB ALA A 25 14.360 -2.131 -4.076 1.00 0.00 C ATOM 0 H ALA A 25 15.193 -1.554 -6.321 1.00 0.00 H new ATOM 0 HA ALA A 25 15.895 -3.541 -4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.118 -2.594 -3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.071 -1.320 -3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.451 -1.733 -4.526 1.00 0.00 H new ATOM 346 N PRO A 26 14.033 -5.268 -4.200 1.00 0.00 N ATOM 347 CA PRO A 26 13.179 -6.459 -4.223 1.00 0.00 C ATOM 348 C PRO A 26 11.705 -6.120 -4.026 1.00 0.00 C ATOM 349 O PRO A 26 11.367 -5.127 -3.381 1.00 0.00 O ATOM 350 CB PRO A 26 13.698 -7.292 -3.048 1.00 0.00 C ATOM 351 CG PRO A 26 14.310 -6.298 -2.122 1.00 0.00 C ATOM 352 CD PRO A 26 14.877 -5.213 -2.994 1.00 0.00 C ATOM 0 HA PRO A 26 13.226 -6.975 -5.182 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.890 -7.840 -2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.430 -8.029 -3.378 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.566 -5.897 -1.434 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.090 -6.758 -1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.822 -4.238 -2.509 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.926 -5.393 -3.229 1.00 0.00 H new ATOM 360 N LYS A 27 10.832 -6.950 -4.584 1.00 0.00 N ATOM 361 CA LYS A 27 9.393 -6.740 -4.469 1.00 0.00 C ATOM 362 C LYS A 27 8.887 -7.184 -3.100 1.00 0.00 C ATOM 363 O LYS A 27 9.411 -8.130 -2.511 1.00 0.00 O ATOM 364 CB LYS A 27 8.655 -7.504 -5.570 1.00 0.00 C ATOM 365 CG LYS A 27 7.151 -7.293 -5.553 1.00 0.00 C ATOM 366 CD LYS A 27 6.478 -7.983 -6.729 1.00 0.00 C ATOM 367 CE LYS A 27 6.379 -9.485 -6.511 1.00 0.00 C ATOM 368 NZ LYS A 27 5.310 -10.097 -7.347 1.00 0.00 N ATOM 0 H LYS A 27 11.095 -7.776 -5.121 1.00 0.00 H new ATOM 0 HA LYS A 27 9.196 -5.674 -4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.046 -7.195 -6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.865 -8.568 -5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.739 -7.678 -4.620 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.932 -6.226 -5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.480 -7.569 -6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.041 -7.783 -7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.336 -9.950 -6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.178 -9.687 -5.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.274 -11.121 -7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.393 -9.671 -7.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.515 -9.927 -8.352 1.00 0.00 H new ATOM 382 N SER A 28 7.865 -6.497 -2.601 1.00 0.00 N ATOM 383 CA SER A 28 7.289 -6.820 -1.300 1.00 0.00 C ATOM 384 C SER A 28 5.783 -7.038 -1.412 1.00 0.00 C ATOM 385 O SER A 28 5.037 -6.125 -1.766 1.00 0.00 O ATOM 386 CB SER A 28 7.581 -5.701 -0.298 1.00 0.00 C ATOM 387 OG SER A 28 8.932 -5.737 0.127 1.00 0.00 O ATOM 0 H SER A 28 7.418 -5.713 -3.077 1.00 0.00 H new ATOM 0 HA SER A 28 7.747 -7.744 -0.946 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.366 -4.735 -0.754 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.922 -5.800 0.565 1.00 0.00 H new ATOM 0 HG SER A 28 9.094 -5.011 0.765 1.00 0.00 H new ATOM 393 N ILE A 29 5.344 -8.255 -1.107 1.00 0.00 N ATOM 394 CA ILE A 29 3.928 -8.594 -1.172 1.00 0.00 C ATOM 395 C ILE A 29 3.201 -8.163 0.098 1.00 0.00 C ATOM 396 O ILE A 29 3.583 -8.545 1.205 1.00 0.00 O ATOM 397 CB ILE A 29 3.720 -10.106 -1.382 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.370 -10.555 -2.692 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.236 -10.442 -1.377 1.00 0.00 C ATOM 400 CD1 ILE A 29 3.614 -10.111 -3.925 1.00 0.00 C ATOM 0 H ILE A 29 5.949 -9.022 -0.813 1.00 0.00 H new ATOM 0 HA ILE A 29 3.513 -8.057 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 29 4.196 -10.641 -0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.386 -10.162 -2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.448 -11.642 -2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.105 -11.514 -1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.801 -10.153 -0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.738 -9.900 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.132 -10.465 -4.816 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.606 -10.525 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.558 -9.023 -3.945 1.00 0.00 H new ATOM 412 N LEU A 30 2.151 -7.368 -0.070 1.00 0.00 N ATOM 413 CA LEU A 30 1.368 -6.886 1.063 1.00 0.00 C ATOM 414 C LEU A 30 0.035 -7.623 1.156 1.00 0.00 C ATOM 415 O LEU A 30 -0.763 -7.602 0.219 1.00 0.00 O ATOM 416 CB LEU A 30 1.124 -5.381 0.936 1.00 0.00 C ATOM 417 CG LEU A 30 0.687 -4.662 2.213 1.00 0.00 C ATOM 418 CD1 LEU A 30 1.855 -4.532 3.178 1.00 0.00 C ATOM 419 CD2 LEU A 30 0.110 -3.293 1.884 1.00 0.00 C ATOM 0 H LEU A 30 1.822 -7.043 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 30 1.934 -7.080 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.040 -4.914 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.362 -5.220 0.173 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.091 -5.256 2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.525 -4.018 4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.223 -5.524 3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.655 -3.961 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.196 -2.796 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.866 -2.691 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.755 -3.410 1.231 1.00 0.00 H new ATOM 431 N GLN A 31 -0.198 -8.271 2.293 1.00 0.00 N ATOM 432 CA GLN A 31 -1.435 -9.012 2.508 1.00 0.00 C ATOM 433 C GLN A 31 -2.326 -8.302 3.522 1.00 0.00 C ATOM 434 O GLN A 31 -2.127 -8.424 4.732 1.00 0.00 O ATOM 435 CB GLN A 31 -1.127 -10.432 2.988 1.00 0.00 C ATOM 436 CG GLN A 31 -0.932 -11.428 1.857 1.00 0.00 C ATOM 437 CD GLN A 31 -1.032 -12.867 2.323 1.00 0.00 C ATOM 438 OE1 GLN A 31 -1.102 -13.140 3.522 1.00 0.00 O ATOM 439 NE2 GLN A 31 -1.039 -13.797 1.375 1.00 0.00 N ATOM 0 H GLN A 31 0.453 -8.298 3.078 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.967 -9.064 1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.227 -10.412 3.602 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.941 -10.775 3.627 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.681 -11.247 1.086 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.044 -11.265 1.399 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.979 -13.525 0.394 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.104 -14.783 1.628 1.00 0.00 H new ATOM 448 N LEU A 32 -3.308 -7.560 3.022 1.00 0.00 N ATOM 449 CA LEU A 32 -4.230 -6.830 3.884 1.00 0.00 C ATOM 450 C LEU A 32 -5.104 -7.790 4.685 1.00 0.00 C ATOM 451 O LEU A 32 -5.410 -8.900 4.249 1.00 0.00 O ATOM 452 CB LEU A 32 -5.110 -5.898 3.049 1.00 0.00 C ATOM 453 CG LEU A 32 -6.122 -6.578 2.127 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.435 -6.815 2.857 1.00 0.00 C ATOM 455 CD2 LEU A 32 -6.349 -5.742 0.875 1.00 0.00 C ATOM 0 H LEU A 32 -3.486 -7.448 2.024 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.641 -6.236 4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.652 -5.239 3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.462 -5.267 2.441 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.718 -7.545 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.143 -7.300 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.260 -7.455 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.845 -5.861 3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.072 -6.241 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.731 -4.761 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.407 -5.624 0.340 1.00 0.00 H new ATOM 467 N PRO A 33 -5.517 -7.354 5.885 1.00 0.00 N ATOM 468 CA PRO A 33 -6.363 -8.159 6.771 1.00 0.00 C ATOM 469 C PRO A 33 -7.781 -8.318 6.231 1.00 0.00 C ATOM 470 O PRO A 33 -8.520 -7.343 6.109 1.00 0.00 O ATOM 471 CB PRO A 33 -6.374 -7.358 8.075 1.00 0.00 C ATOM 472 CG PRO A 33 -6.104 -5.953 7.659 1.00 0.00 C ATOM 473 CD PRO A 33 -5.190 -6.042 6.468 1.00 0.00 C ATOM 0 HA PRO A 33 -5.986 -9.175 6.883 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.334 -7.443 8.583 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.614 -7.719 8.768 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.029 -5.437 7.403 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.638 -5.389 8.467 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.371 -5.232 5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.142 -5.982 6.760 1.00 0.00 H new ATOM 481 N GLU A 34 -8.152 -9.554 5.910 1.00 0.00 N ATOM 482 CA GLU A 34 -9.481 -9.839 5.384 1.00 0.00 C ATOM 483 C GLU A 34 -10.556 -9.144 6.215 1.00 0.00 C ATOM 484 O GLU A 34 -10.333 -8.796 7.375 1.00 0.00 O ATOM 485 CB GLU A 34 -9.733 -11.348 5.363 1.00 0.00 C ATOM 486 CG GLU A 34 -9.112 -12.052 4.168 1.00 0.00 C ATOM 487 CD GLU A 34 -9.469 -13.525 4.109 1.00 0.00 C ATOM 488 OE1 GLU A 34 -9.071 -14.268 5.030 1.00 0.00 O ATOM 489 OE2 GLU A 34 -10.145 -13.934 3.142 1.00 0.00 O ATOM 0 H GLU A 34 -7.551 -10.373 6.005 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.530 -9.456 4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.337 -11.787 6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.808 -11.528 5.362 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.443 -11.565 3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.028 -11.946 4.211 1.00 0.00 H new ATOM 496 N THR A 35 -11.724 -8.945 5.612 1.00 0.00 N ATOM 497 CA THR A 35 -12.834 -8.290 6.294 1.00 0.00 C ATOM 498 C THR A 35 -14.012 -9.243 6.467 1.00 0.00 C ATOM 499 O THR A 35 -14.298 -10.055 5.588 1.00 0.00 O ATOM 500 CB THR A 35 -13.306 -7.041 5.528 1.00 0.00 C ATOM 501 OG1 THR A 35 -14.654 -6.722 5.894 1.00 0.00 O ATOM 502 CG2 THR A 35 -13.223 -7.264 4.025 1.00 0.00 C ATOM 0 H THR A 35 -11.926 -9.228 4.653 1.00 0.00 H new ATOM 0 HA THR A 35 -12.468 -7.987 7.275 1.00 0.00 H new ATOM 0 HB THR A 35 -12.651 -6.211 5.793 1.00 0.00 H new ATOM 0 HG1 THR A 35 -14.946 -5.925 5.404 1.00 0.00 H new ATOM 0 HG21 THR A 35 -13.562 -6.368 3.505 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.191 -7.478 3.745 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.856 -8.106 3.747 1.00 0.00 H new ATOM 510 N GLU A 36 -14.692 -9.136 7.604 1.00 0.00 N ATOM 511 CA GLU A 36 -15.839 -9.989 7.890 1.00 0.00 C ATOM 512 C GLU A 36 -16.693 -10.189 6.642 1.00 0.00 C ATOM 513 O GLU A 36 -17.376 -11.204 6.498 1.00 0.00 O ATOM 514 CB GLU A 36 -16.687 -9.382 9.010 1.00 0.00 C ATOM 515 CG GLU A 36 -17.165 -7.970 8.715 1.00 0.00 C ATOM 516 CD GLU A 36 -17.863 -7.331 9.899 1.00 0.00 C ATOM 517 OE1 GLU A 36 -18.836 -7.927 10.408 1.00 0.00 O ATOM 518 OE2 GLU A 36 -17.437 -6.235 10.318 1.00 0.00 O ATOM 0 H GLU A 36 -14.469 -8.468 8.341 1.00 0.00 H new ATOM 0 HA GLU A 36 -15.465 -10.961 8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -17.553 -10.020 9.185 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.105 -9.374 9.932 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.313 -7.355 8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -17.846 -7.991 7.865 1.00 0.00 H new ATOM 525 N LEU A 37 -16.651 -9.213 5.741 1.00 0.00 N ATOM 526 CA LEU A 37 -17.421 -9.280 4.504 1.00 0.00 C ATOM 527 C LEU A 37 -17.142 -10.581 3.759 1.00 0.00 C ATOM 528 O LEU A 37 -18.061 -11.334 3.438 1.00 0.00 O ATOM 529 CB LEU A 37 -17.089 -8.085 3.608 1.00 0.00 C ATOM 530 CG LEU A 37 -17.963 -6.844 3.795 1.00 0.00 C ATOM 531 CD1 LEU A 37 -19.280 -7.001 3.051 1.00 0.00 C ATOM 532 CD2 LEU A 37 -18.211 -6.584 5.273 1.00 0.00 C ATOM 0 H LEU A 37 -16.092 -8.366 5.844 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.480 -9.250 4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.050 -7.803 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -17.163 -8.404 2.568 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.435 -5.986 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -19.888 -6.108 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.083 -7.137 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.814 -7.870 3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -18.835 -5.697 5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.717 -7.443 5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.259 -6.425 5.779 1.00 0.00 H new ATOM 544 N GLY A 38 -15.867 -10.841 3.488 1.00 0.00 N ATOM 545 CA GLY A 38 -15.489 -12.053 2.784 1.00 0.00 C ATOM 546 C GLY A 38 -14.211 -11.886 1.987 1.00 0.00 C ATOM 547 O GLY A 38 -13.578 -10.832 2.031 1.00 0.00 O ATOM 0 H GLY A 38 -15.088 -10.234 3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.362 -12.862 3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -16.296 -12.346 2.113 1.00 0.00 H new ATOM 551 N GLU A 39 -13.830 -12.930 1.257 1.00 0.00 N ATOM 552 CA GLU A 39 -12.617 -12.894 0.449 1.00 0.00 C ATOM 553 C GLU A 39 -12.892 -12.276 -0.919 1.00 0.00 C ATOM 554 O GLU A 39 -12.054 -11.562 -1.470 1.00 0.00 O ATOM 555 CB GLU A 39 -12.049 -14.305 0.278 1.00 0.00 C ATOM 556 CG GLU A 39 -12.945 -15.228 -0.531 1.00 0.00 C ATOM 557 CD GLU A 39 -12.511 -16.679 -0.452 1.00 0.00 C ATOM 558 OE1 GLU A 39 -12.146 -17.128 0.654 1.00 0.00 O ATOM 559 OE2 GLU A 39 -12.537 -17.364 -1.495 1.00 0.00 O ATOM 0 H GLU A 39 -14.343 -13.810 1.209 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.885 -12.275 0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.076 -14.239 -0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.885 -14.743 1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.970 -15.139 -0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.943 -14.908 -1.573 1.00 0.00 H new ATOM 566 N TYR A 40 -14.072 -12.557 -1.461 1.00 0.00 N ATOM 567 CA TYR A 40 -14.458 -12.032 -2.766 1.00 0.00 C ATOM 568 C TYR A 40 -14.005 -10.584 -2.926 1.00 0.00 C ATOM 569 O TYR A 40 -13.715 -9.901 -1.944 1.00 0.00 O ATOM 570 CB TYR A 40 -15.973 -12.128 -2.949 1.00 0.00 C ATOM 571 CG TYR A 40 -16.750 -11.164 -2.081 1.00 0.00 C ATOM 572 CD1 TYR A 40 -16.529 -11.100 -0.710 1.00 0.00 C ATOM 573 CD2 TYR A 40 -17.705 -10.317 -2.630 1.00 0.00 C ATOM 574 CE1 TYR A 40 -17.237 -10.222 0.087 1.00 0.00 C ATOM 575 CE2 TYR A 40 -18.416 -9.435 -1.841 1.00 0.00 C ATOM 576 CZ TYR A 40 -18.179 -9.391 -0.483 1.00 0.00 C ATOM 577 OH TYR A 40 -18.886 -8.514 0.307 1.00 0.00 O ATOM 0 H TYR A 40 -14.778 -13.145 -1.017 1.00 0.00 H new ATOM 0 HA TYR A 40 -13.968 -12.633 -3.532 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -16.217 -11.940 -3.995 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -16.294 -13.145 -2.725 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -15.791 -11.748 -0.260 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -17.894 -10.349 -3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -17.054 -10.186 1.151 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -19.154 -8.783 -2.285 1.00 0.00 H new ATOM 0 HH TYR A 40 -19.508 -8.001 -0.250 1.00 0.00 H new ATOM 587 N SER A 41 -13.947 -10.124 -4.171 1.00 0.00 N ATOM 588 CA SER A 41 -13.527 -8.758 -4.463 1.00 0.00 C ATOM 589 C SER A 41 -13.983 -7.803 -3.364 1.00 0.00 C ATOM 590 O SER A 41 -15.173 -7.515 -3.230 1.00 0.00 O ATOM 591 CB SER A 41 -14.088 -8.306 -5.812 1.00 0.00 C ATOM 592 OG SER A 41 -15.502 -8.398 -5.833 1.00 0.00 O ATOM 0 H SER A 41 -14.185 -10.677 -4.994 1.00 0.00 H new ATOM 0 HA SER A 41 -12.438 -8.741 -4.507 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.784 -7.278 -6.010 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.669 -8.921 -6.608 1.00 0.00 H new ATOM 0 HG SER A 41 -15.851 -8.273 -4.926 1.00 0.00 H new ATOM 598 N LEU A 42 -13.029 -7.315 -2.579 1.00 0.00 N ATOM 599 CA LEU A 42 -13.331 -6.392 -1.490 1.00 0.00 C ATOM 600 C LEU A 42 -14.221 -5.252 -1.974 1.00 0.00 C ATOM 601 O LEU A 42 -15.348 -5.090 -1.508 1.00 0.00 O ATOM 602 CB LEU A 42 -12.037 -5.829 -0.899 1.00 0.00 C ATOM 603 CG LEU A 42 -10.959 -6.854 -0.545 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.709 -6.157 -0.029 1.00 0.00 C ATOM 605 CD2 LEU A 42 -11.483 -7.845 0.484 1.00 0.00 C ATOM 0 H LEU A 42 -12.040 -7.543 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.866 -6.943 -0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.615 -5.119 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.286 -5.268 0.002 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.696 -7.404 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.953 -6.902 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.322 -5.488 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.956 -5.581 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.703 -8.567 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.774 -7.311 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.349 -8.368 0.077 1.00 0.00 H new ATOM 617 N GLY A 43 -13.707 -4.465 -2.915 1.00 0.00 N ATOM 618 CA GLY A 43 -14.469 -3.351 -3.449 1.00 0.00 C ATOM 619 C GLY A 43 -15.098 -2.505 -2.360 1.00 0.00 C ATOM 620 O GLY A 43 -16.296 -2.609 -2.097 1.00 0.00 O ATOM 0 H GLY A 43 -12.776 -4.579 -3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.816 -2.727 -4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.251 -3.731 -4.107 1.00 0.00 H new ATOM 624 N GLY A 44 -14.288 -1.665 -1.723 1.00 0.00 N ATOM 625 CA GLY A 44 -14.790 -0.811 -0.662 1.00 0.00 C ATOM 626 C GLY A 44 -13.677 -0.194 0.162 1.00 0.00 C ATOM 627 O GLY A 44 -13.836 0.891 0.720 1.00 0.00 O ATOM 0 H GLY A 44 -13.293 -1.561 -1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.399 -0.018 -1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.441 -1.392 -0.009 1.00 0.00 H new ATOM 631 N TYR A 45 -12.547 -0.888 0.239 1.00 0.00 N ATOM 632 CA TYR A 45 -11.404 -0.405 1.005 1.00 0.00 C ATOM 633 C TYR A 45 -11.009 1.002 0.564 1.00 0.00 C ATOM 634 O TYR A 45 -11.317 1.425 -0.550 1.00 0.00 O ATOM 635 CB TYR A 45 -10.216 -1.354 0.843 1.00 0.00 C ATOM 636 CG TYR A 45 -10.181 -2.461 1.872 1.00 0.00 C ATOM 637 CD1 TYR A 45 -11.041 -3.548 1.783 1.00 0.00 C ATOM 638 CD2 TYR A 45 -9.285 -2.420 2.934 1.00 0.00 C ATOM 639 CE1 TYR A 45 -11.012 -4.561 2.722 1.00 0.00 C ATOM 640 CE2 TYR A 45 -9.249 -3.429 3.877 1.00 0.00 C ATOM 641 CZ TYR A 45 -10.114 -4.497 3.767 1.00 0.00 C ATOM 642 OH TYR A 45 -10.082 -5.504 4.704 1.00 0.00 O ATOM 0 H TYR A 45 -12.398 -1.787 -0.220 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.692 -0.371 2.056 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.248 -1.796 -0.153 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.292 -0.780 0.908 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -11.745 -3.602 0.966 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.606 -1.585 3.023 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.689 -5.398 2.638 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.547 -3.381 4.696 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.151 -5.744 4.894 1.00 0.00 H new ATOM 652 N SER A 46 -10.324 1.721 1.448 1.00 0.00 N ATOM 653 CA SER A 46 -9.889 3.081 1.153 1.00 0.00 C ATOM 654 C SER A 46 -8.374 3.142 0.984 1.00 0.00 C ATOM 655 O SER A 46 -7.624 2.688 1.848 1.00 0.00 O ATOM 656 CB SER A 46 -10.328 4.033 2.267 1.00 0.00 C ATOM 657 OG SER A 46 -9.820 3.616 3.523 1.00 0.00 O ATOM 0 H SER A 46 -10.059 1.384 2.374 1.00 0.00 H new ATOM 0 HA SER A 46 -10.354 3.390 0.217 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.979 5.042 2.046 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.416 4.074 2.307 1.00 0.00 H new ATOM 0 HG SER A 46 -9.017 3.071 3.386 1.00 0.00 H new ATOM 663 N ILE A 47 -7.932 3.706 -0.135 1.00 0.00 N ATOM 664 CA ILE A 47 -6.507 3.828 -0.418 1.00 0.00 C ATOM 665 C ILE A 47 -5.722 4.154 0.848 1.00 0.00 C ATOM 666 O ILE A 47 -4.643 3.607 1.079 1.00 0.00 O ATOM 667 CB ILE A 47 -6.234 4.915 -1.473 1.00 0.00 C ATOM 668 CG1 ILE A 47 -6.990 4.604 -2.766 1.00 0.00 C ATOM 669 CG2 ILE A 47 -4.740 5.030 -1.741 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.638 3.260 -3.363 1.00 0.00 C ATOM 0 H ILE A 47 -8.540 4.086 -0.861 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.178 2.865 -0.808 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.589 5.871 -1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.061 4.635 -2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.779 5.384 -3.497 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.563 5.803 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.224 5.294 -0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.362 4.076 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.211 3.107 -4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.573 3.232 -3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.876 2.471 -2.649 1.00 0.00 H new ATOM 682 N SER A 48 -6.271 5.047 1.665 1.00 0.00 N ATOM 683 CA SER A 48 -5.621 5.447 2.907 1.00 0.00 C ATOM 684 C SER A 48 -5.101 4.230 3.665 1.00 0.00 C ATOM 685 O SER A 48 -3.918 4.149 3.996 1.00 0.00 O ATOM 686 CB SER A 48 -6.595 6.233 3.787 1.00 0.00 C ATOM 687 OG SER A 48 -5.908 7.172 4.596 1.00 0.00 O ATOM 0 H SER A 48 -7.164 5.507 1.489 1.00 0.00 H new ATOM 0 HA SER A 48 -4.774 6.085 2.655 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.320 6.751 3.159 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.155 5.544 4.420 1.00 0.00 H new ATOM 0 HG SER A 48 -6.553 7.662 5.147 1.00 0.00 H new ATOM 693 N PHE A 49 -5.994 3.285 3.938 1.00 0.00 N ATOM 694 CA PHE A 49 -5.628 2.071 4.659 1.00 0.00 C ATOM 695 C PHE A 49 -4.326 1.489 4.116 1.00 0.00 C ATOM 696 O PHE A 49 -3.323 1.413 4.827 1.00 0.00 O ATOM 697 CB PHE A 49 -6.746 1.033 4.554 1.00 0.00 C ATOM 698 CG PHE A 49 -6.622 -0.085 5.549 1.00 0.00 C ATOM 699 CD1 PHE A 49 -6.455 0.186 6.898 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.674 -1.407 5.137 1.00 0.00 C ATOM 701 CE1 PHE A 49 -6.339 -0.841 7.816 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.560 -2.438 6.050 1.00 0.00 C ATOM 703 CZ PHE A 49 -6.393 -2.154 7.392 1.00 0.00 C ATOM 0 H PHE A 49 -6.977 3.336 3.671 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.481 2.331 5.707 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.706 1.529 4.695 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.749 0.614 3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.415 1.211 7.236 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.805 -1.634 4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.206 -0.617 8.864 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.601 -3.464 5.715 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.305 -2.958 8.108 1.00 0.00 H new ATOM 713 N LEU A 50 -4.349 1.079 2.853 1.00 0.00 N ATOM 714 CA LEU A 50 -3.171 0.503 2.214 1.00 0.00 C ATOM 715 C LEU A 50 -1.929 1.338 2.508 1.00 0.00 C ATOM 716 O LEU A 50 -0.936 0.831 3.031 1.00 0.00 O ATOM 717 CB LEU A 50 -3.385 0.402 0.703 1.00 0.00 C ATOM 718 CG LEU A 50 -4.040 -0.886 0.202 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.450 -0.745 -1.255 1.00 0.00 C ATOM 720 CD2 LEU A 50 -3.098 -2.068 0.382 1.00 0.00 C ATOM 0 H LEU A 50 -5.170 1.135 2.251 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.019 -0.497 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.999 1.245 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.418 0.509 0.211 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.937 -1.069 0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.914 -1.671 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.161 0.075 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.569 -0.537 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.580 -2.976 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.183 -1.893 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.855 -2.182 1.438 1.00 0.00 H new ATOM 732 N LYS A 51 -1.991 2.622 2.171 1.00 0.00 N ATOM 733 CA LYS A 51 -0.874 3.529 2.402 1.00 0.00 C ATOM 734 C LYS A 51 -0.215 3.250 3.749 1.00 0.00 C ATOM 735 O LYS A 51 0.963 3.547 3.947 1.00 0.00 O ATOM 736 CB LYS A 51 -1.350 4.982 2.347 1.00 0.00 C ATOM 737 CG LYS A 51 -1.293 5.589 0.956 1.00 0.00 C ATOM 738 CD LYS A 51 -2.345 6.671 0.775 1.00 0.00 C ATOM 739 CE LYS A 51 -2.041 7.547 -0.431 1.00 0.00 C ATOM 740 NZ LYS A 51 -1.164 8.696 -0.074 1.00 0.00 N ATOM 0 H LYS A 51 -2.804 3.058 1.736 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.137 3.364 1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.375 5.034 2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.738 5.582 3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.303 6.011 0.782 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.442 4.808 0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.325 6.210 0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.392 7.288 1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.558 6.948 -1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.974 7.920 -0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.897 9.210 -0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.675 9.337 0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.307 8.345 0.399 1.00 0.00 H new ATOM 754 N GLN A 52 -0.983 2.676 4.670 1.00 0.00 N ATOM 755 CA GLN A 52 -0.472 2.357 5.998 1.00 0.00 C ATOM 756 C GLN A 52 0.193 0.984 6.010 1.00 0.00 C ATOM 757 O GLN A 52 1.267 0.808 6.587 1.00 0.00 O ATOM 758 CB GLN A 52 -1.604 2.397 7.026 1.00 0.00 C ATOM 759 CG GLN A 52 -2.410 3.686 6.994 1.00 0.00 C ATOM 760 CD GLN A 52 -3.025 4.023 8.338 1.00 0.00 C ATOM 761 OE1 GLN A 52 -2.774 3.346 9.336 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.836 5.074 8.372 1.00 0.00 N ATOM 0 H GLN A 52 -1.960 2.423 4.521 1.00 0.00 H new ATOM 0 HA GLN A 52 0.276 3.105 6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.274 1.555 6.850 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.183 2.266 8.023 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.765 4.506 6.678 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.201 3.597 6.249 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.016 5.607 7.521 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.279 5.348 9.249 1.00 0.00 H new ATOM 771 N LEU A 53 -0.452 0.015 5.370 1.00 0.00 N ATOM 772 CA LEU A 53 0.077 -1.343 5.307 1.00 0.00 C ATOM 773 C LEU A 53 1.455 -1.361 4.652 1.00 0.00 C ATOM 774 O LEU A 53 2.377 -2.014 5.142 1.00 0.00 O ATOM 775 CB LEU A 53 -0.881 -2.249 4.530 1.00 0.00 C ATOM 776 CG LEU A 53 -2.134 -2.700 5.280 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.278 -1.726 5.042 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.532 -4.106 4.858 1.00 0.00 C ATOM 0 H LEU A 53 -1.341 0.144 4.888 1.00 0.00 H new ATOM 0 HA LEU A 53 0.175 -1.716 6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.192 -1.725 3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.333 -3.136 4.212 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.910 -2.713 6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.162 -2.063 5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.992 -0.735 5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.501 -1.680 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.426 -4.410 5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.737 -4.120 3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.719 -4.797 5.081 1.00 0.00 H new ATOM 790 N ILE A 54 1.588 -0.640 3.545 1.00 0.00 N ATOM 791 CA ILE A 54 2.854 -0.570 2.826 1.00 0.00 C ATOM 792 C ILE A 54 3.904 0.184 3.634 1.00 0.00 C ATOM 793 O ILE A 54 4.919 -0.384 4.034 1.00 0.00 O ATOM 794 CB ILE A 54 2.686 0.114 1.456 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.807 -0.739 0.539 1.00 0.00 C ATOM 796 CG2 ILE A 54 4.045 0.360 0.818 1.00 0.00 C ATOM 797 CD1 ILE A 54 0.329 -0.445 0.675 1.00 0.00 C ATOM 0 H ILE A 54 0.834 -0.095 3.126 1.00 0.00 H new ATOM 0 HA ILE A 54 3.187 -1.596 2.672 1.00 0.00 H new ATOM 0 HB ILE A 54 2.196 1.076 1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.108 -0.575 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.982 -1.792 0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.911 0.844 -0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.640 1.004 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.560 -0.591 0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.233 -1.086 -0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.013 -0.637 1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.141 0.600 0.427 1.00 0.00 H new ATOM 809 N ALA A 55 3.651 1.467 3.871 1.00 0.00 N ATOM 810 CA ALA A 55 4.573 2.299 4.634 1.00 0.00 C ATOM 811 C ALA A 55 4.986 1.612 5.932 1.00 0.00 C ATOM 812 O ALA A 55 6.092 1.816 6.429 1.00 0.00 O ATOM 813 CB ALA A 55 3.943 3.652 4.928 1.00 0.00 C ATOM 0 H ALA A 55 2.815 1.953 3.546 1.00 0.00 H new ATOM 0 HA ALA A 55 5.469 2.451 4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.643 4.263 5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.704 4.154 3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.030 3.510 5.506 1.00 0.00 H new ATOM 819 N GLY A 56 4.087 0.797 6.477 1.00 0.00 N ATOM 820 CA GLY A 56 4.377 0.093 7.713 1.00 0.00 C ATOM 821 C GLY A 56 5.300 -1.091 7.503 1.00 0.00 C ATOM 822 O GLY A 56 6.005 -1.509 8.422 1.00 0.00 O ATOM 0 H GLY A 56 3.164 0.612 6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.833 0.784 8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.444 -0.252 8.158 1.00 0.00 H new ATOM 826 N LYS A 57 5.295 -1.635 6.291 1.00 0.00 N ATOM 827 CA LYS A 57 6.137 -2.779 5.962 1.00 0.00 C ATOM 828 C LYS A 57 7.454 -2.325 5.341 1.00 0.00 C ATOM 829 O LYS A 57 8.457 -3.037 5.397 1.00 0.00 O ATOM 830 CB LYS A 57 5.405 -3.718 5.001 1.00 0.00 C ATOM 831 CG LYS A 57 4.475 -4.697 5.697 1.00 0.00 C ATOM 832 CD LYS A 57 5.250 -5.805 6.390 1.00 0.00 C ATOM 833 CE LYS A 57 5.606 -6.925 5.423 1.00 0.00 C ATOM 834 NZ LYS A 57 6.869 -6.641 4.688 1.00 0.00 N ATOM 0 H LYS A 57 4.717 -1.302 5.520 1.00 0.00 H new ATOM 0 HA LYS A 57 6.357 -3.314 6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.828 -3.122 4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.140 -4.277 4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.866 -4.165 6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.791 -5.131 4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.161 -5.396 6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.657 -6.207 7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.708 -7.861 5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.793 -7.061 4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.403 -7.524 4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.645 -6.235 3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.443 -5.965 5.232 1.00 0.00 H new ATOM 848 N LEU A 58 7.445 -1.134 4.752 1.00 0.00 N ATOM 849 CA LEU A 58 8.640 -0.584 4.122 1.00 0.00 C ATOM 850 C LEU A 58 9.291 0.469 5.014 1.00 0.00 C ATOM 851 O LEU A 58 9.926 1.403 4.525 1.00 0.00 O ATOM 852 CB LEU A 58 8.289 0.029 2.764 1.00 0.00 C ATOM 853 CG LEU A 58 7.404 -0.822 1.853 1.00 0.00 C ATOM 854 CD1 LEU A 58 7.165 -0.114 0.528 1.00 0.00 C ATOM 855 CD2 LEU A 58 8.034 -2.188 1.623 1.00 0.00 C ATOM 0 H LEU A 58 6.624 -0.531 4.698 1.00 0.00 H new ATOM 0 HA LEU A 58 9.350 -1.398 3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.789 0.982 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.217 0.247 2.235 1.00 0.00 H new ATOM 0 HG LEU A 58 6.441 -0.965 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.533 -0.735 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.671 0.841 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.119 0.060 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.391 -2.780 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.010 -2.064 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.153 -2.699 2.578 1.00 0.00 H new ATOM 867 N GLN A 59 9.129 0.308 6.323 1.00 0.00 N ATOM 868 CA GLN A 59 9.702 1.244 7.283 1.00 0.00 C ATOM 869 C GLN A 59 11.192 1.445 7.025 1.00 0.00 C ATOM 870 O GLN A 59 11.793 2.401 7.515 1.00 0.00 O ATOM 871 CB GLN A 59 9.484 0.741 8.711 1.00 0.00 C ATOM 872 CG GLN A 59 8.108 1.068 9.268 1.00 0.00 C ATOM 873 CD GLN A 59 8.109 1.214 10.777 1.00 0.00 C ATOM 874 OE1 GLN A 59 7.714 0.299 11.501 1.00 0.00 O ATOM 875 NE2 GLN A 59 8.554 2.367 11.261 1.00 0.00 N ATOM 0 H GLN A 59 8.606 -0.461 6.743 1.00 0.00 H new ATOM 0 HA GLN A 59 9.198 2.203 7.162 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.628 -0.339 8.733 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.243 1.177 9.361 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.748 1.993 8.818 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.409 0.282 8.983 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.872 3.098 10.625 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.578 2.522 12.269 1.00 0.00 H new ATOM 884 N GLU A 60 11.781 0.538 6.252 1.00 0.00 N ATOM 885 CA GLU A 60 13.201 0.616 5.930 1.00 0.00 C ATOM 886 C GLU A 60 13.480 1.776 4.978 1.00 0.00 C ATOM 887 O GLU A 60 14.543 2.394 5.030 1.00 0.00 O ATOM 888 CB GLU A 60 13.678 -0.697 5.306 1.00 0.00 C ATOM 889 CG GLU A 60 12.905 -1.095 4.060 1.00 0.00 C ATOM 890 CD GLU A 60 13.147 -2.538 3.660 1.00 0.00 C ATOM 891 OE1 GLU A 60 12.745 -3.440 4.425 1.00 0.00 O ATOM 892 OE2 GLU A 60 13.736 -2.764 2.583 1.00 0.00 O ATOM 0 H GLU A 60 11.297 -0.259 5.838 1.00 0.00 H new ATOM 0 HA GLU A 60 13.749 0.789 6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.735 -0.607 5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.593 -1.493 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.840 -0.944 4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.189 -0.441 3.236 1.00 0.00 H new ATOM 899 N SER A 61 12.517 2.064 4.108 1.00 0.00 N ATOM 900 CA SER A 61 12.660 3.146 3.141 1.00 0.00 C ATOM 901 C SER A 61 11.623 4.238 3.390 1.00 0.00 C ATOM 902 O SER A 61 11.951 5.423 3.431 1.00 0.00 O ATOM 903 CB SER A 61 12.517 2.607 1.716 1.00 0.00 C ATOM 904 OG SER A 61 13.296 3.362 0.805 1.00 0.00 O ATOM 0 H SER A 61 11.630 1.563 4.053 1.00 0.00 H new ATOM 0 HA SER A 61 13.653 3.578 3.261 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.827 1.563 1.686 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.470 2.637 1.416 1.00 0.00 H new ATOM 0 HG SER A 61 13.585 2.786 0.067 1.00 0.00 H new ATOM 910 N VAL A 62 10.370 3.828 3.556 1.00 0.00 N ATOM 911 CA VAL A 62 9.284 4.769 3.802 1.00 0.00 C ATOM 912 C VAL A 62 9.192 5.128 5.281 1.00 0.00 C ATOM 913 O VAL A 62 8.935 4.281 6.136 1.00 0.00 O ATOM 914 CB VAL A 62 7.930 4.198 3.339 1.00 0.00 C ATOM 915 CG1 VAL A 62 6.887 5.302 3.254 1.00 0.00 C ATOM 916 CG2 VAL A 62 8.081 3.491 2.000 1.00 0.00 C ATOM 0 H VAL A 62 10.082 2.850 3.525 1.00 0.00 H new ATOM 0 HA VAL A 62 9.507 5.667 3.226 1.00 0.00 H new ATOM 0 HB VAL A 62 7.592 3.467 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.937 4.881 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.761 5.760 4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.215 6.058 2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.115 3.094 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.441 4.199 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.795 2.673 2.099 1.00 0.00 H new ATOM 926 N PRO A 63 9.407 6.415 5.592 1.00 0.00 N ATOM 927 CA PRO A 63 9.353 6.916 6.968 1.00 0.00 C ATOM 928 C PRO A 63 7.936 6.916 7.530 1.00 0.00 C ATOM 929 O PRO A 63 7.691 6.399 8.621 1.00 0.00 O ATOM 930 CB PRO A 63 9.879 8.349 6.845 1.00 0.00 C ATOM 931 CG PRO A 63 9.589 8.738 5.436 1.00 0.00 C ATOM 932 CD PRO A 63 9.719 7.480 4.624 1.00 0.00 C ATOM 0 HA PRO A 63 9.930 6.292 7.651 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.382 9.015 7.550 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.947 8.399 7.058 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.588 9.159 5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.288 9.500 5.090 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.027 7.472 3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.723 7.369 4.214 1.00 0.00 H new ATOM 940 N ASP A 64 7.006 7.497 6.780 1.00 0.00 N ATOM 941 CA ASP A 64 5.612 7.561 7.203 1.00 0.00 C ATOM 942 C ASP A 64 4.676 7.490 6.001 1.00 0.00 C ATOM 943 O ASP A 64 5.013 7.913 4.895 1.00 0.00 O ATOM 944 CB ASP A 64 5.355 8.847 7.990 1.00 0.00 C ATOM 945 CG ASP A 64 5.605 8.677 9.476 1.00 0.00 C ATOM 946 OD1 ASP A 64 4.711 8.152 10.171 1.00 0.00 O ATOM 947 OD2 ASP A 64 6.695 9.068 9.943 1.00 0.00 O ATOM 0 H ASP A 64 7.192 7.931 5.876 1.00 0.00 H new ATOM 0 HA ASP A 64 5.413 6.704 7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.997 9.639 7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.325 9.166 7.832 1.00 0.00 H new ATOM 952 N PRO A 65 3.472 6.942 6.220 1.00 0.00 N ATOM 953 CA PRO A 65 2.462 6.802 5.167 1.00 0.00 C ATOM 954 C PRO A 65 1.881 8.145 4.738 1.00 0.00 C ATOM 955 O PRO A 65 1.202 8.240 3.716 1.00 0.00 O ATOM 956 CB PRO A 65 1.382 5.938 5.823 1.00 0.00 C ATOM 957 CG PRO A 65 1.535 6.186 7.284 1.00 0.00 C ATOM 958 CD PRO A 65 3.003 6.417 7.514 1.00 0.00 C ATOM 0 HA PRO A 65 2.880 6.369 4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.387 6.217 5.476 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.519 4.883 5.584 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.950 7.051 7.596 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.179 5.335 7.864 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.176 7.127 8.323 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.518 5.495 7.784 1.00 0.00 H new ATOM 966 N GLU A 66 2.153 9.181 5.526 1.00 0.00 N ATOM 967 CA GLU A 66 1.656 10.519 5.226 1.00 0.00 C ATOM 968 C GLU A 66 2.677 11.308 4.412 1.00 0.00 C ATOM 969 O GLU A 66 2.315 12.169 3.608 1.00 0.00 O ATOM 970 CB GLU A 66 1.331 11.268 6.520 1.00 0.00 C ATOM 971 CG GLU A 66 0.376 10.518 7.434 1.00 0.00 C ATOM 972 CD GLU A 66 -0.477 11.447 8.275 1.00 0.00 C ATOM 973 OE1 GLU A 66 -0.011 11.868 9.354 1.00 0.00 O ATOM 974 OE2 GLU A 66 -1.612 11.753 7.853 1.00 0.00 O ATOM 0 H GLU A 66 2.714 9.120 6.376 1.00 0.00 H new ATOM 0 HA GLU A 66 0.746 10.417 4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.258 11.464 7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.897 12.236 6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.272 9.881 6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.947 9.862 8.090 1.00 0.00 H new ATOM 981 N LEU A 67 3.954 11.010 4.625 1.00 0.00 N ATOM 982 CA LEU A 67 5.028 11.691 3.911 1.00 0.00 C ATOM 983 C LEU A 67 5.329 10.996 2.588 1.00 0.00 C ATOM 984 O LEU A 67 6.373 11.227 1.978 1.00 0.00 O ATOM 985 CB LEU A 67 6.290 11.739 4.775 1.00 0.00 C ATOM 986 CG LEU A 67 6.087 12.127 6.239 1.00 0.00 C ATOM 987 CD1 LEU A 67 7.393 12.003 7.010 1.00 0.00 C ATOM 988 CD2 LEU A 67 5.536 13.542 6.345 1.00 0.00 C ATOM 0 H LEU A 67 4.271 10.301 5.287 1.00 0.00 H new ATOM 0 HA LEU A 67 4.702 12.709 3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.766 10.759 4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.987 12.447 4.326 1.00 0.00 H new ATOM 0 HG LEU A 67 5.362 11.442 6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.229 12.283 8.051 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.747 10.973 6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.140 12.664 6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.398 13.801 7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.237 14.241 5.888 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.578 13.599 5.828 1.00 0.00 H new ATOM 1000 N ILE A 68 4.407 10.146 2.149 1.00 0.00 N ATOM 1001 CA ILE A 68 4.573 9.420 0.896 1.00 0.00 C ATOM 1002 C ILE A 68 3.270 9.385 0.104 1.00 0.00 C ATOM 1003 O ILE A 68 2.236 9.864 0.570 1.00 0.00 O ATOM 1004 CB ILE A 68 5.051 7.976 1.140 1.00 0.00 C ATOM 1005 CG1 ILE A 68 4.138 7.279 2.152 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.492 7.970 1.627 1.00 0.00 C ATOM 1007 CD1 ILE A 68 2.908 6.658 1.528 1.00 0.00 C ATOM 0 H ILE A 68 3.538 9.943 2.642 1.00 0.00 H new ATOM 0 HA ILE A 68 5.331 9.952 0.321 1.00 0.00 H new ATOM 0 HB ILE A 68 5.004 7.429 0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.705 6.504 2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.827 8.001 2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.815 6.943 1.795 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.132 8.433 0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.563 8.530 2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.308 6.182 2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.319 7.432 1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.210 5.911 0.794 1.00 0.00 H new ATOM 1019 N ASP A 69 3.328 8.815 -1.094 1.00 0.00 N ATOM 1020 CA ASP A 69 2.152 8.714 -1.951 1.00 0.00 C ATOM 1021 C ASP A 69 2.095 7.354 -2.638 1.00 0.00 C ATOM 1022 O ASP A 69 3.121 6.703 -2.837 1.00 0.00 O ATOM 1023 CB ASP A 69 2.160 9.829 -2.998 1.00 0.00 C ATOM 1024 CG ASP A 69 1.457 11.082 -2.515 1.00 0.00 C ATOM 1025 OD1 ASP A 69 0.344 10.962 -1.963 1.00 0.00 O ATOM 1026 OD2 ASP A 69 2.020 12.184 -2.689 1.00 0.00 O ATOM 0 H ASP A 69 4.177 8.416 -1.494 1.00 0.00 H new ATOM 0 HA ASP A 69 1.266 8.821 -1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.190 10.071 -3.258 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.677 9.473 -3.908 1.00 0.00 H new ATOM 1031 N LEU A 70 0.889 6.929 -2.999 1.00 0.00 N ATOM 1032 CA LEU A 70 0.697 5.645 -3.664 1.00 0.00 C ATOM 1033 C LEU A 70 0.358 5.840 -5.138 1.00 0.00 C ATOM 1034 O LEU A 70 -0.593 6.545 -5.478 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.415 4.852 -2.974 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.438 3.348 -3.252 1.00 0.00 C ATOM 1037 CD1 LEU A 70 0.828 2.689 -2.729 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.671 2.710 -2.629 1.00 0.00 C ATOM 0 H LEU A 70 0.029 7.455 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 70 1.630 5.086 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.326 5.001 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.374 5.272 -3.276 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.481 3.198 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.794 1.619 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.696 3.126 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.903 2.848 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.671 1.640 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.658 2.871 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.568 3.162 -3.053 1.00 0.00 H new ATOM 1050 N ILE A 71 1.140 5.211 -6.008 1.00 0.00 N ATOM 1051 CA ILE A 71 0.921 5.313 -7.445 1.00 0.00 C ATOM 1052 C ILE A 71 0.470 3.978 -8.029 1.00 0.00 C ATOM 1053 O ILE A 71 1.095 2.943 -7.793 1.00 0.00 O ATOM 1054 CB ILE A 71 2.194 5.778 -8.178 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.748 7.047 -7.528 1.00 0.00 C ATOM 1056 CG2 ILE A 71 1.900 6.016 -9.651 1.00 0.00 C ATOM 1057 CD1 ILE A 71 1.757 8.189 -7.489 1.00 0.00 C ATOM 0 H ILE A 71 1.932 4.625 -5.743 1.00 0.00 H new ATOM 0 HA ILE A 71 0.136 6.055 -7.592 1.00 0.00 H new ATOM 0 HB ILE A 71 2.947 4.994 -8.100 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.064 6.816 -6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.636 7.366 -8.073 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.809 6.344 -10.155 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.547 5.090 -10.106 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.133 6.784 -9.749 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.218 9.055 -7.015 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.459 8.447 -8.505 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.878 7.889 -6.919 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.616 4.009 -8.793 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.151 2.802 -9.410 1.00 0.00 C ATOM 1071 C TYR A 72 -1.640 3.085 -10.828 1.00 0.00 C ATOM 1072 O TYR A 72 -2.195 4.149 -11.103 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.295 2.236 -8.568 1.00 0.00 C ATOM 1074 CG TYR A 72 -3.053 1.119 -9.248 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -2.544 -0.174 -9.279 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -4.278 1.355 -9.860 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -3.233 -1.198 -9.899 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -4.974 0.337 -10.481 1.00 0.00 C ATOM 1079 CZ TYR A 72 -4.448 -0.938 -10.499 1.00 0.00 C ATOM 1080 OH TYR A 72 -5.138 -1.954 -11.118 1.00 0.00 O ATOM 0 H TYR A 72 -1.143 4.857 -9.000 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.349 2.066 -9.462 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.893 1.868 -7.624 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.990 3.041 -8.327 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.593 -0.382 -8.810 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.693 2.352 -9.850 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.823 -2.197 -9.914 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.926 0.538 -10.950 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.974 -1.603 -11.489 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.430 2.126 -11.722 1.00 0.00 N ATOM 1091 CA CYS A 73 -1.848 2.271 -13.111 1.00 0.00 C ATOM 1092 C CYS A 73 -1.327 3.576 -13.703 1.00 0.00 C ATOM 1093 O CYS A 73 -1.939 4.151 -14.602 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.374 2.224 -13.214 1.00 0.00 C ATOM 1095 SG CYS A 73 -4.055 0.553 -13.330 1.00 0.00 S ATOM 0 H CYS A 73 -0.973 1.239 -11.510 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.427 1.442 -13.679 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.802 2.719 -12.342 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.686 2.794 -14.089 1.00 0.00 H new ATOM 0 HG CYS A 73 -4.452 0.164 -12.155 1.00 0.00 H new ATOM 1101 N GLY A 74 -0.191 4.040 -13.191 1.00 0.00 N ATOM 1102 CA GLY A 74 0.394 5.275 -13.679 1.00 0.00 C ATOM 1103 C GLY A 74 -0.360 6.501 -13.203 1.00 0.00 C ATOM 1104 O GLY A 74 -0.325 7.549 -13.848 1.00 0.00 O ATOM 0 H GLY A 74 0.335 3.582 -12.446 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.431 5.338 -13.348 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.408 5.261 -14.769 1.00 0.00 H new ATOM 1108 N ARG A 75 -1.044 6.370 -12.071 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.812 7.476 -11.511 1.00 0.00 C ATOM 1110 C ARG A 75 -1.910 7.355 -9.993 1.00 0.00 C ATOM 1111 O ARG A 75 -2.218 6.287 -9.463 1.00 0.00 O ATOM 1112 CB ARG A 75 -3.214 7.512 -12.122 1.00 0.00 C ATOM 1113 CG ARG A 75 -4.122 6.396 -11.632 1.00 0.00 C ATOM 1114 CD ARG A 75 -5.546 6.576 -12.134 1.00 0.00 C ATOM 1115 NE ARG A 75 -5.683 6.201 -13.538 1.00 0.00 N ATOM 1116 CZ ARG A 75 -6.820 6.298 -14.218 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -7.913 6.757 -13.624 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -6.866 5.937 -15.494 1.00 0.00 N ATOM 0 H ARG A 75 -1.082 5.510 -11.524 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.294 8.404 -11.752 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.676 8.472 -11.892 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.130 7.450 -13.207 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.734 5.435 -11.970 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.119 6.375 -10.542 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.222 5.971 -11.530 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.847 7.616 -12.006 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.860 5.845 -14.024 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.882 7.036 -12.643 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.785 6.831 -14.148 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.027 5.584 -15.955 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.740 6.012 -16.014 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.647 8.456 -9.298 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.706 8.475 -7.841 1.00 0.00 C ATOM 1134 C LYS A 76 -3.103 8.110 -7.349 1.00 0.00 C ATOM 1135 O LYS A 76 -4.093 8.313 -8.052 1.00 0.00 O ATOM 1136 CB LYS A 76 -1.312 9.856 -7.313 1.00 0.00 C ATOM 1137 CG LYS A 76 -0.812 9.839 -5.879 1.00 0.00 C ATOM 1138 CD LYS A 76 -1.116 11.145 -5.166 1.00 0.00 C ATOM 1139 CE LYS A 76 -0.076 12.209 -5.483 1.00 0.00 C ATOM 1140 NZ LYS A 76 -0.041 13.277 -4.447 1.00 0.00 N ATOM 0 H LYS A 76 -1.391 9.348 -9.721 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.002 7.734 -7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.536 10.273 -7.955 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.173 10.521 -7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.277 9.013 -5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.263 9.660 -5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.103 11.500 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.147 10.974 -4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.907 11.744 -5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.295 12.653 -6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.030 14.206 -4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.911 13.238 -3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.783 13.134 -3.829 1.00 0.00 H new ATOM 1154 N LEU A 77 -3.175 7.571 -6.137 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.451 7.178 -5.549 1.00 0.00 C ATOM 1156 C LEU A 77 -4.754 8.005 -4.303 1.00 0.00 C ATOM 1157 O LEU A 77 -4.032 7.936 -3.309 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.436 5.690 -5.196 1.00 0.00 C ATOM 1159 CG LEU A 77 -3.749 4.768 -6.204 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -3.574 3.375 -5.620 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.544 4.709 -7.501 1.00 0.00 C ATOM 0 H LEU A 77 -2.365 7.396 -5.542 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.234 7.362 -6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.944 5.571 -4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.466 5.356 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.762 5.174 -6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.083 2.733 -6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.963 3.432 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.550 2.960 -5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.040 4.048 -8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.545 4.328 -7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.617 5.709 -7.929 1.00 0.00 H new ATOM 1173 N LYS A 78 -5.828 8.784 -4.364 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.231 9.622 -3.240 1.00 0.00 C ATOM 1175 C LYS A 78 -6.795 8.775 -2.105 1.00 0.00 C ATOM 1176 O LYS A 78 -7.246 7.650 -2.322 1.00 0.00 O ATOM 1177 CB LYS A 78 -7.272 10.649 -3.691 1.00 0.00 C ATOM 1178 CG LYS A 78 -6.667 11.954 -4.181 1.00 0.00 C ATOM 1179 CD LYS A 78 -7.724 13.034 -4.337 1.00 0.00 C ATOM 1180 CE LYS A 78 -7.095 14.410 -4.498 1.00 0.00 C ATOM 1181 NZ LYS A 78 -7.943 15.314 -5.324 1.00 0.00 N ATOM 0 H LYS A 78 -6.436 8.853 -5.180 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.348 10.146 -2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.875 10.216 -4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.946 10.860 -2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.904 12.289 -3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.170 11.789 -5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.346 12.813 -5.204 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.379 13.032 -3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.939 14.855 -3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.114 14.309 -4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.480 16.241 -5.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.071 14.902 -6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.871 15.431 -4.869 1.00 0.00 H new ATOM 1195 N ASP A 79 -6.768 9.323 -0.895 1.00 0.00 N ATOM 1196 CA ASP A 79 -7.280 8.618 0.275 1.00 0.00 C ATOM 1197 C ASP A 79 -8.800 8.718 0.348 1.00 0.00 C ATOM 1198 O ASP A 79 -9.429 8.134 1.231 1.00 0.00 O ATOM 1199 CB ASP A 79 -6.657 9.185 1.552 1.00 0.00 C ATOM 1200 CG ASP A 79 -7.088 10.614 1.820 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -8.283 10.828 2.112 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -6.231 11.518 1.738 1.00 0.00 O ATOM 0 H ASP A 79 -6.397 10.253 -0.699 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.007 7.567 0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.938 8.559 2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.571 9.145 1.472 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.384 9.461 -0.585 1.00 0.00 N ATOM 1208 CA ASP A 80 -10.831 9.637 -0.628 1.00 0.00 C ATOM 1209 C ASP A 80 -11.470 8.656 -1.605 1.00 0.00 C ATOM 1210 O ASP A 80 -12.689 8.643 -1.778 1.00 0.00 O ATOM 1211 CB ASP A 80 -11.180 11.073 -1.025 1.00 0.00 C ATOM 1212 CG ASP A 80 -10.795 12.079 0.042 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -11.382 12.030 1.142 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -9.907 12.916 -0.225 1.00 0.00 O ATOM 0 H ASP A 80 -8.878 9.951 -1.322 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.226 9.437 0.368 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.672 11.323 -1.956 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.251 11.144 -1.217 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.639 7.838 -2.242 1.00 0.00 N ATOM 1220 CA GLN A 81 -11.124 6.854 -3.204 1.00 0.00 C ATOM 1221 C GLN A 81 -11.000 5.440 -2.646 1.00 0.00 C ATOM 1222 O GLN A 81 -10.503 5.240 -1.537 1.00 0.00 O ATOM 1223 CB GLN A 81 -10.347 6.968 -4.516 1.00 0.00 C ATOM 1224 CG GLN A 81 -10.429 8.345 -5.155 1.00 0.00 C ATOM 1225 CD GLN A 81 -11.831 8.694 -5.612 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -12.781 7.952 -5.360 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -11.969 9.828 -6.289 1.00 0.00 N ATOM 0 H GLN A 81 -9.628 7.836 -2.110 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.178 7.058 -3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.301 6.724 -4.331 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.727 6.227 -5.219 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.087 9.094 -4.440 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.752 8.386 -6.008 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.154 10.413 -6.476 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.890 10.114 -6.622 1.00 0.00 H new ATOM 1236 N THR A 82 -11.454 4.461 -3.422 1.00 0.00 N ATOM 1237 CA THR A 82 -11.395 3.066 -3.005 1.00 0.00 C ATOM 1238 C THR A 82 -10.743 2.199 -4.076 1.00 0.00 C ATOM 1239 O THR A 82 -10.377 2.687 -5.146 1.00 0.00 O ATOM 1240 CB THR A 82 -12.799 2.512 -2.698 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.645 2.657 -3.844 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.418 3.234 -1.510 1.00 0.00 C ATOM 0 H THR A 82 -11.867 4.609 -4.343 1.00 0.00 H new ATOM 0 HA THR A 82 -10.792 3.033 -2.097 1.00 0.00 H new ATOM 0 HB THR A 82 -12.702 1.455 -2.450 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.535 2.301 -3.641 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.409 2.826 -1.312 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.787 3.097 -0.632 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.502 4.297 -1.734 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.601 0.911 -3.783 1.00 0.00 N ATOM 1251 CA LEU A 83 -9.992 -0.025 -4.722 1.00 0.00 C ATOM 1252 C LEU A 83 -10.806 -0.110 -6.009 1.00 0.00 C ATOM 1253 O LEU A 83 -10.273 0.067 -7.105 1.00 0.00 O ATOM 1254 CB LEU A 83 -9.875 -1.411 -4.086 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.842 -1.551 -2.968 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.480 -1.913 -3.540 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.757 -0.267 -2.156 1.00 0.00 C ATOM 0 H LEU A 83 -10.899 0.491 -2.903 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.995 0.340 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.851 -1.690 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.633 -2.129 -4.869 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.160 -2.356 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.758 -2.008 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.550 -2.859 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.154 -1.131 -4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.017 -0.385 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.464 0.557 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.730 -0.051 -1.714 1.00 0.00 H new ATOM 1269 N ASP A 84 -12.099 -0.380 -5.869 1.00 0.00 N ATOM 1270 CA ASP A 84 -12.987 -0.486 -7.021 1.00 0.00 C ATOM 1271 C ASP A 84 -13.071 0.843 -7.766 1.00 0.00 C ATOM 1272 O ASP A 84 -13.046 0.879 -8.996 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.383 -0.925 -6.576 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.112 -1.710 -7.649 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -14.842 -2.921 -7.786 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -15.954 -1.112 -8.352 1.00 0.00 O ATOM 0 H ASP A 84 -12.556 -0.529 -4.969 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.577 -1.236 -7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.299 -1.535 -5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.970 -0.046 -6.311 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.173 1.932 -7.012 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.263 3.263 -7.601 1.00 0.00 C ATOM 1283 C PHE A 85 -12.192 3.459 -8.669 1.00 0.00 C ATOM 1284 O PHE A 85 -12.428 4.108 -9.689 1.00 0.00 O ATOM 1285 CB PHE A 85 -13.120 4.334 -6.517 1.00 0.00 C ATOM 1286 CG PHE A 85 -13.424 5.723 -7.003 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -12.456 6.471 -7.653 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -14.678 6.280 -6.809 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -12.732 7.749 -8.100 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -14.960 7.558 -7.255 1.00 0.00 C ATOM 1291 CZ PHE A 85 -13.986 8.292 -7.902 1.00 0.00 C ATOM 0 H PHE A 85 -13.195 1.919 -5.992 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.242 3.359 -8.071 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -13.787 4.093 -5.689 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.103 4.309 -6.125 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -11.474 6.050 -7.812 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -15.443 5.710 -6.304 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -11.968 8.322 -8.604 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.941 7.982 -7.097 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.205 9.290 -8.253 1.00 0.00 H new ATOM 1301 N TYR A 86 -11.015 2.894 -8.428 1.00 0.00 N ATOM 1302 CA TYR A 86 -9.905 3.008 -9.368 1.00 0.00 C ATOM 1303 C TYR A 86 -9.860 1.806 -10.306 1.00 0.00 C ATOM 1304 O TYR A 86 -9.454 1.920 -11.462 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.581 3.131 -8.613 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.231 4.551 -8.230 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -8.062 5.532 -9.200 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -8.071 4.913 -6.899 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -7.742 6.830 -8.856 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -7.752 6.210 -6.544 1.00 0.00 C ATOM 1311 CZ TYR A 86 -7.588 7.165 -7.526 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.270 8.458 -7.178 1.00 0.00 O ATOM 0 H TYR A 86 -10.804 2.352 -7.590 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.059 3.906 -9.966 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.629 2.522 -7.710 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.781 2.723 -9.231 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.183 5.274 -10.242 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.198 4.168 -6.128 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.613 7.579 -9.623 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.632 6.474 -5.504 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.037 9.042 -7.352 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.280 0.651 -9.798 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.280 -0.557 -10.602 1.00 0.00 C ATOM 1324 C GLY A 87 -9.073 -1.433 -10.333 1.00 0.00 C ATOM 1325 O GLY A 87 -8.429 -1.917 -11.264 1.00 0.00 O ATOM 0 H GLY A 87 -10.620 0.531 -8.844 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.189 -1.124 -10.400 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.301 -0.287 -11.658 1.00 0.00 H new ATOM 1329 N ILE A 88 -8.765 -1.636 -9.056 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.627 -2.460 -8.668 1.00 0.00 C ATOM 1331 C ILE A 88 -8.066 -3.879 -8.325 1.00 0.00 C ATOM 1332 O ILE A 88 -9.150 -4.088 -7.782 1.00 0.00 O ATOM 1333 CB ILE A 88 -6.883 -1.858 -7.460 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.431 -0.430 -7.771 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.692 -2.727 -7.085 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.228 0.421 -6.538 1.00 0.00 C ATOM 0 H ILE A 88 -9.287 -1.242 -8.274 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.952 -2.489 -9.523 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.566 -1.825 -6.611 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.499 -0.467 -8.334 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.173 0.046 -8.413 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.177 -2.289 -6.230 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.039 -3.727 -6.826 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.006 -2.788 -7.930 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.908 1.420 -6.834 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.165 0.489 -5.985 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.465 -0.032 -5.905 1.00 0.00 H new ATOM 1348 N GLN A 89 -7.216 -4.849 -8.645 1.00 0.00 N ATOM 1349 CA GLN A 89 -7.517 -6.249 -8.369 1.00 0.00 C ATOM 1350 C GLN A 89 -6.377 -6.910 -7.601 1.00 0.00 C ATOM 1351 O GLN A 89 -5.244 -6.428 -7.587 1.00 0.00 O ATOM 1352 CB GLN A 89 -7.773 -7.004 -9.674 1.00 0.00 C ATOM 1353 CG GLN A 89 -6.989 -6.458 -10.857 1.00 0.00 C ATOM 1354 CD GLN A 89 -7.748 -5.387 -11.616 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -8.729 -5.674 -12.303 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -7.299 -4.144 -11.494 1.00 0.00 N ATOM 0 H GLN A 89 -6.314 -4.692 -9.095 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.416 -6.287 -7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.517 -8.054 -9.533 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.838 -6.964 -9.905 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.044 -6.046 -10.503 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.746 -7.276 -11.536 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.482 -3.951 -10.914 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.771 -3.381 -11.980 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.682 -8.039 -6.945 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.696 -8.791 -6.162 1.00 0.00 C ATOM 1367 C PRO A 90 -4.651 -9.468 -7.042 1.00 0.00 C ATOM 1368 O PRO A 90 -4.913 -10.507 -7.645 1.00 0.00 O ATOM 1369 CB PRO A 90 -6.543 -9.838 -5.436 1.00 0.00 C ATOM 1370 CG PRO A 90 -7.747 -10.014 -6.295 1.00 0.00 C ATOM 1371 CD PRO A 90 -8.012 -8.670 -6.917 1.00 0.00 C ATOM 0 HA PRO A 90 -5.128 -8.144 -5.493 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.999 -10.776 -5.320 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.816 -9.502 -4.436 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.573 -10.771 -7.060 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.602 -10.347 -5.706 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.432 -8.766 -7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.721 -8.088 -6.328 1.00 0.00 H new ATOM 1379 N GLY A 91 -3.465 -8.871 -7.110 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.398 -9.431 -7.919 1.00 0.00 C ATOM 1381 C GLY A 91 -1.571 -8.364 -8.608 1.00 0.00 C ATOM 1382 O GLY A 91 -0.423 -8.604 -8.984 1.00 0.00 O ATOM 0 H GLY A 91 -3.224 -8.010 -6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.749 -10.038 -7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.826 -10.096 -8.670 1.00 0.00 H new ATOM 1386 N SER A 92 -2.155 -7.182 -8.776 1.00 0.00 N ATOM 1387 CA SER A 92 -1.466 -6.075 -9.430 1.00 0.00 C ATOM 1388 C SER A 92 -0.296 -5.586 -8.581 1.00 0.00 C ATOM 1389 O SER A 92 -0.069 -6.075 -7.474 1.00 0.00 O ATOM 1390 CB SER A 92 -2.439 -4.923 -9.690 1.00 0.00 C ATOM 1391 OG SER A 92 -3.153 -5.122 -10.897 1.00 0.00 O ATOM 0 H SER A 92 -3.103 -6.966 -8.469 1.00 0.00 H new ATOM 0 HA SER A 92 -1.076 -6.434 -10.383 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.139 -4.840 -8.859 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.890 -3.983 -9.739 1.00 0.00 H new ATOM 0 HG SER A 92 -3.769 -4.373 -11.040 1.00 0.00 H new ATOM 1397 N THR A 93 0.444 -4.616 -9.108 1.00 0.00 N ATOM 1398 CA THR A 93 1.591 -4.060 -8.401 1.00 0.00 C ATOM 1399 C THR A 93 1.538 -2.537 -8.379 1.00 0.00 C ATOM 1400 O THR A 93 1.358 -1.897 -9.415 1.00 0.00 O ATOM 1401 CB THR A 93 2.918 -4.507 -9.044 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.833 -5.881 -9.437 1.00 0.00 O ATOM 1403 CG2 THR A 93 4.077 -4.322 -8.077 1.00 0.00 C ATOM 0 H THR A 93 0.270 -4.199 -10.022 1.00 0.00 H new ATOM 0 HA THR A 93 1.546 -4.437 -7.379 1.00 0.00 H new ATOM 0 HB THR A 93 3.097 -3.888 -9.923 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.680 -6.157 -9.846 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.003 -4.644 -8.553 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.157 -3.270 -7.802 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.903 -4.919 -7.182 1.00 0.00 H new ATOM 1411 N VAL A 94 1.698 -1.960 -7.192 1.00 0.00 N ATOM 1412 CA VAL A 94 1.670 -0.511 -7.035 1.00 0.00 C ATOM 1413 C VAL A 94 3.069 0.042 -6.790 1.00 0.00 C ATOM 1414 O VAL A 94 3.958 -0.673 -6.327 1.00 0.00 O ATOM 1415 CB VAL A 94 0.751 -0.090 -5.873 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.634 -0.695 -6.040 1.00 0.00 C ATOM 1417 CG2 VAL A 94 1.362 -0.494 -4.539 1.00 0.00 C ATOM 0 H VAL A 94 1.848 -2.475 -6.324 1.00 0.00 H new ATOM 0 HA VAL A 94 1.278 -0.099 -7.965 1.00 0.00 H new ATOM 0 HB VAL A 94 0.650 0.995 -5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.269 -0.386 -5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.071 -0.351 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.557 -1.782 -6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.700 -0.189 -3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.494 -1.576 -4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.330 -0.007 -4.420 1.00 0.00 H new ATOM 1427 N HIS A 95 3.257 1.320 -7.102 1.00 0.00 N ATOM 1428 CA HIS A 95 4.549 1.971 -6.914 1.00 0.00 C ATOM 1429 C HIS A 95 4.419 3.180 -5.992 1.00 0.00 C ATOM 1430 O HIS A 95 3.593 4.063 -6.222 1.00 0.00 O ATOM 1431 CB HIS A 95 5.127 2.403 -8.262 1.00 0.00 C ATOM 1432 CG HIS A 95 5.620 1.260 -9.096 1.00 0.00 C ATOM 1433 ND1 HIS A 95 6.781 0.571 -8.817 1.00 0.00 N ATOM 1434 CD2 HIS A 95 5.101 0.686 -10.207 1.00 0.00 C ATOM 1435 CE1 HIS A 95 6.956 -0.377 -9.721 1.00 0.00 C ATOM 1436 NE2 HIS A 95 5.950 -0.328 -10.575 1.00 0.00 N ATOM 0 H HIS A 95 2.532 1.925 -7.486 1.00 0.00 H new ATOM 0 HA HIS A 95 5.226 1.253 -6.450 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.363 2.945 -8.819 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.949 3.098 -8.090 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.189 0.972 -10.710 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.781 -1.073 -9.755 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.824 -0.944 -11.378 1.00 0.00 H new ATOM 1445 N VAL A 96 5.241 3.212 -4.948 1.00 0.00 N ATOM 1446 CA VAL A 96 5.219 4.312 -3.991 1.00 0.00 C ATOM 1447 C VAL A 96 6.111 5.459 -4.452 1.00 0.00 C ATOM 1448 O VAL A 96 7.088 5.249 -5.172 1.00 0.00 O ATOM 1449 CB VAL A 96 5.674 3.851 -2.594 1.00 0.00 C ATOM 1450 CG1 VAL A 96 5.871 5.046 -1.675 1.00 0.00 C ATOM 1451 CG2 VAL A 96 4.670 2.872 -2.003 1.00 0.00 C ATOM 0 H VAL A 96 5.931 2.489 -4.743 1.00 0.00 H new ATOM 0 HA VAL A 96 4.187 4.659 -3.932 1.00 0.00 H new ATOM 0 HB VAL A 96 6.631 3.339 -2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.192 4.700 -0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.631 5.706 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.931 5.590 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.007 2.557 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.697 3.356 -1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.585 2.001 -2.653 1.00 0.00 H new ATOM 1461 N LEU A 97 5.771 6.672 -4.031 1.00 0.00 N ATOM 1462 CA LEU A 97 6.542 7.854 -4.400 1.00 0.00 C ATOM 1463 C LEU A 97 6.763 8.758 -3.191 1.00 0.00 C ATOM 1464 O LEU A 97 5.810 9.272 -2.605 1.00 0.00 O ATOM 1465 CB LEU A 97 5.826 8.630 -5.507 1.00 0.00 C ATOM 1466 CG LEU A 97 6.675 9.646 -6.272 1.00 0.00 C ATOM 1467 CD1 LEU A 97 7.388 10.580 -5.307 1.00 0.00 C ATOM 1468 CD2 LEU A 97 7.678 8.935 -7.168 1.00 0.00 C ATOM 0 H LEU A 97 4.966 6.863 -3.434 1.00 0.00 H new ATOM 0 HA LEU A 97 7.514 7.524 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.421 7.914 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.978 9.154 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 97 6.015 10.243 -6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.987 11.296 -5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.652 11.115 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.037 9.999 -4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.274 9.673 -7.705 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.334 8.313 -6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.146 8.308 -7.884 1.00 0.00 H new ATOM 1480 N ARG A 98 8.026 8.950 -2.826 1.00 0.00 N ATOM 1481 CA ARG A 98 8.373 9.794 -1.688 1.00 0.00 C ATOM 1482 C ARG A 98 8.121 11.265 -2.005 1.00 0.00 C ATOM 1483 O ARG A 98 8.503 11.757 -3.067 1.00 0.00 O ATOM 1484 CB ARG A 98 9.839 9.588 -1.302 1.00 0.00 C ATOM 1485 CG ARG A 98 10.061 8.420 -0.355 1.00 0.00 C ATOM 1486 CD ARG A 98 11.313 8.615 0.486 1.00 0.00 C ATOM 1487 NE ARG A 98 12.525 8.619 -0.330 1.00 0.00 N ATOM 1488 CZ ARG A 98 13.679 9.138 0.073 1.00 0.00 C ATOM 1489 NH1 ARG A 98 13.779 9.690 1.274 1.00 0.00 N ATOM 1490 NH2 ARG A 98 14.738 9.104 -0.727 1.00 0.00 N ATOM 0 H ARG A 98 8.826 8.533 -3.301 1.00 0.00 H new ATOM 0 HA ARG A 98 7.739 9.508 -0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.425 9.428 -2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.215 10.499 -0.836 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.196 8.311 0.299 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.146 7.497 -0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.240 9.556 1.032 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.378 7.820 1.229 1.00 0.00 H new ATOM 0 HE ARG A 98 12.482 8.201 -1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.968 9.717 1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.667 10.088 1.580 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.665 8.679 -1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.624 9.503 -0.417 1.00 0.00 H new ATOM 1504 N LYS A 99 7.474 11.962 -1.077 1.00 0.00 N ATOM 1505 CA LYS A 99 7.171 13.377 -1.255 1.00 0.00 C ATOM 1506 C LYS A 99 8.424 14.228 -1.082 1.00 0.00 C ATOM 1507 O LYS A 99 8.909 14.417 0.034 1.00 0.00 O ATOM 1508 CB LYS A 99 6.098 13.819 -0.257 1.00 0.00 C ATOM 1509 CG LYS A 99 4.800 13.040 -0.374 1.00 0.00 C ATOM 1510 CD LYS A 99 3.829 13.405 0.737 1.00 0.00 C ATOM 1511 CE LYS A 99 2.409 12.974 0.400 1.00 0.00 C ATOM 1512 NZ LYS A 99 1.684 14.014 -0.381 1.00 0.00 N ATOM 0 H LYS A 99 7.149 11.569 -0.193 1.00 0.00 H new ATOM 0 HA LYS A 99 6.796 13.518 -2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.488 13.709 0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.890 14.879 -0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.340 13.241 -1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.011 11.971 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.143 12.931 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.854 14.482 0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.437 12.045 -0.170 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.864 12.766 1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.746 14.172 0.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.225 14.902 -0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.574 13.696 -1.365 1.00 0.00 H new ATOM 1526 N SER A 100 8.944 14.742 -2.192 1.00 0.00 N ATOM 1527 CA SER A 100 10.143 15.571 -2.163 1.00 0.00 C ATOM 1528 C SER A 100 9.778 17.052 -2.112 1.00 0.00 C ATOM 1529 O SER A 100 9.398 17.644 -3.122 1.00 0.00 O ATOM 1530 CB SER A 100 11.013 15.291 -3.389 1.00 0.00 C ATOM 1531 OG SER A 100 12.380 15.543 -3.113 1.00 0.00 O ATOM 0 H SER A 100 8.553 14.599 -3.123 1.00 0.00 H new ATOM 0 HA SER A 100 10.705 15.321 -1.263 1.00 0.00 H new ATOM 0 HB2 SER A 100 10.887 14.254 -3.699 1.00 0.00 H new ATOM 0 HB3 SER A 100 10.686 15.915 -4.221 1.00 0.00 H new ATOM 0 HG SER A 100 12.915 15.355 -3.912 1.00 0.00 H new ATOM 1537 N TRP A 101 9.895 17.643 -0.928 1.00 0.00 N ATOM 1538 CA TRP A 101 9.577 19.054 -0.744 1.00 0.00 C ATOM 1539 C TRP A 101 10.848 19.893 -0.665 1.00 0.00 C ATOM 1540 O TRP A 101 10.885 21.028 -1.140 1.00 0.00 O ATOM 1541 CB TRP A 101 8.743 19.250 0.523 1.00 0.00 C ATOM 1542 CG TRP A 101 9.572 19.472 1.751 1.00 0.00 C ATOM 1543 CD1 TRP A 101 9.972 20.673 2.264 1.00 0.00 C ATOM 1544 CD2 TRP A 101 10.104 18.466 2.620 1.00 0.00 C ATOM 1545 NE1 TRP A 101 10.721 20.474 3.399 1.00 0.00 N ATOM 1546 CE2 TRP A 101 10.815 19.129 3.639 1.00 0.00 C ATOM 1547 CE3 TRP A 101 10.046 17.070 2.638 1.00 0.00 C ATOM 1548 CZ2 TRP A 101 11.464 18.442 4.662 1.00 0.00 C ATOM 1549 CZ3 TRP A 101 10.691 16.389 3.653 1.00 0.00 C ATOM 1550 CH2 TRP A 101 11.391 17.075 4.654 1.00 0.00 C ATOM 0 H TRP A 101 10.208 17.167 -0.082 1.00 0.00 H new ATOM 0 HA TRP A 101 8.998 19.385 -1.606 1.00 0.00 H new ATOM 0 HB2 TRP A 101 8.078 20.102 0.383 1.00 0.00 H new ATOM 0 HB3 TRP A 101 8.112 18.374 0.673 1.00 0.00 H new ATOM 0 HD1 TRP A 101 9.735 21.637 1.840 1.00 0.00 H new ATOM 0 HE1 TRP A 101 11.139 21.209 3.970 1.00 0.00 H new ATOM 0 HE3 TRP A 101 9.507 16.533 1.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 12.005 18.969 5.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 10.655 15.310 3.675 1.00 0.00 H new ATOM 0 HH2 TRP A 101 11.883 16.514 5.435 1.00 0.00 H new ATOM 1561 N SER A 102 11.889 19.326 -0.063 1.00 0.00 N ATOM 1562 CA SER A 102 13.162 20.024 0.081 1.00 0.00 C ATOM 1563 C SER A 102 14.310 19.032 0.236 1.00 0.00 C ATOM 1564 O SER A 102 14.111 17.819 0.175 1.00 0.00 O ATOM 1565 CB SER A 102 13.118 20.964 1.287 1.00 0.00 C ATOM 1566 OG SER A 102 12.399 22.147 0.986 1.00 0.00 O ATOM 0 H SER A 102 11.876 18.386 0.333 1.00 0.00 H new ATOM 0 HA SER A 102 13.332 20.611 -0.822 1.00 0.00 H new ATOM 0 HB2 SER A 102 12.651 20.456 2.131 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.133 21.219 1.590 1.00 0.00 H new ATOM 0 HG SER A 102 11.469 22.048 1.278 1.00 0.00 H new ATOM 1572 N GLY A 103 15.515 19.557 0.438 1.00 0.00 N ATOM 1573 CA GLY A 103 16.679 18.705 0.598 1.00 0.00 C ATOM 1574 C GLY A 103 17.327 18.860 1.960 1.00 0.00 C ATOM 1575 O GLY A 103 18.296 19.601 2.129 1.00 0.00 O ATOM 0 H GLY A 103 15.706 20.557 0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 103 16.387 17.665 0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 103 17.408 18.941 -0.177 1.00 0.00 H new ATOM 1579 N PRO A 104 16.787 18.150 2.961 1.00 0.00 N ATOM 1580 CA PRO A 104 17.302 18.196 4.333 1.00 0.00 C ATOM 1581 C PRO A 104 18.666 17.526 4.462 1.00 0.00 C ATOM 1582 O PRO A 104 19.045 16.703 3.629 1.00 0.00 O ATOM 1583 CB PRO A 104 16.249 17.427 5.134 1.00 0.00 C ATOM 1584 CG PRO A 104 15.614 16.513 4.144 1.00 0.00 C ATOM 1585 CD PRO A 104 15.631 17.247 2.832 1.00 0.00 C ATOM 0 HA PRO A 104 17.454 19.219 4.677 1.00 0.00 H new ATOM 0 HB2 PRO A 104 16.704 16.869 5.953 1.00 0.00 H new ATOM 0 HB3 PRO A 104 15.517 18.102 5.576 1.00 0.00 H new ATOM 0 HG2 PRO A 104 16.162 15.574 4.073 1.00 0.00 H new ATOM 0 HG3 PRO A 104 14.594 16.265 4.439 1.00 0.00 H new ATOM 0 HD2 PRO A 104 15.747 16.564 1.991 1.00 0.00 H new ATOM 0 HD3 PRO A 104 14.706 17.800 2.669 1.00 0.00 H new ATOM 1593 N SER A 105 19.398 17.882 5.513 1.00 0.00 N ATOM 1594 CA SER A 105 20.721 17.317 5.749 1.00 0.00 C ATOM 1595 C SER A 105 21.138 17.501 7.206 1.00 0.00 C ATOM 1596 O SER A 105 20.436 18.142 7.987 1.00 0.00 O ATOM 1597 CB SER A 105 21.751 17.970 4.826 1.00 0.00 C ATOM 1598 OG SER A 105 21.568 19.375 4.771 1.00 0.00 O ATOM 0 H SER A 105 19.097 18.559 6.214 1.00 0.00 H new ATOM 0 HA SER A 105 20.676 16.250 5.533 1.00 0.00 H new ATOM 0 HB2 SER A 105 22.757 17.745 5.181 1.00 0.00 H new ATOM 0 HB3 SER A 105 21.665 17.549 3.824 1.00 0.00 H new ATOM 0 HG SER A 105 22.240 19.769 4.176 1.00 0.00 H new ATOM 1604 N SER A 106 22.286 16.933 7.562 1.00 0.00 N ATOM 1605 CA SER A 106 22.795 17.030 8.925 1.00 0.00 C ATOM 1606 C SER A 106 23.577 18.326 9.121 1.00 0.00 C ATOM 1607 O SER A 106 24.211 18.828 8.194 1.00 0.00 O ATOM 1608 CB SER A 106 23.688 15.830 9.245 1.00 0.00 C ATOM 1609 OG SER A 106 22.912 14.673 9.507 1.00 0.00 O ATOM 0 H SER A 106 22.881 16.401 6.926 1.00 0.00 H new ATOM 0 HA SER A 106 21.944 17.032 9.606 1.00 0.00 H new ATOM 0 HB2 SER A 106 24.360 15.639 8.408 1.00 0.00 H new ATOM 0 HB3 SER A 106 24.312 16.057 10.110 1.00 0.00 H new ATOM 0 HG SER A 106 23.506 13.919 9.707 1.00 0.00 H new ATOM 1615 N GLY A 107 23.526 18.862 10.337 1.00 0.00 N ATOM 1616 CA GLY A 107 24.232 20.095 10.634 1.00 0.00 C ATOM 1617 C GLY A 107 24.051 20.534 12.074 1.00 0.00 C ATOM 1618 O GLY A 107 23.125 20.091 12.753 1.00 0.00 O ATOM 0 H GLY A 107 23.009 18.465 11.121 1.00 0.00 H new ATOM 0 HA2 GLY A 107 25.294 19.960 10.429 1.00 0.00 H new ATOM 0 HA3 GLY A 107 23.877 20.883 9.970 1.00 0.00 H new TER 1622 GLY A 107