USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 651 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 Single : A 21 MET CE :methyl 165:sc= -0.059 (180deg=-0.351) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -1.34 K(o=-1.3,f=-5!) USER MOD Single : A 34 GLN : amide:sc= -0.298 K(o=-0.3,f=-4.2!) USER MOD Single : A 36 ASN : amide:sc= -2.38! C(o=-2.4!,f=-8!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 42:sc= 0.016 USER MOD Single : A 68 GLN :FLIP amide:sc=-0.00163 F(o=-0.62,f=-0.0016) USER MOD Single : A 82 HIS : no HD1:sc= -0.0791 X(o=-0.079,f=-0.019) USER MOD Single : A 84 GLN : amide:sc= 0.206 K(o=0.21,f=-5.6!) USER MOD Single : A 85 GLN : amide:sc=-0.00887 X(o=-0.0089,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00767) USER MOD Single : A 90 GLN : amide:sc= -0.0693 X(o=-0.069,f=-0.089) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00182 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.63) USER MOD Single : A 102 SER OG : rot -93:sc= 0.171 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 46:sc= 0.171 USER MOD Single : A 106 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 7.439 -32.455 2.586 1.00 0.00 N ATOM 2 CA MET A 21 8.314 -33.652 2.448 1.00 0.00 C ATOM 3 C MET A 21 8.338 -34.179 1.002 1.00 0.00 C ATOM 4 O MET A 21 9.125 -35.076 0.673 1.00 0.00 O ATOM 5 CB MET A 21 7.865 -34.767 3.428 1.00 0.00 C ATOM 6 CG MET A 21 6.449 -35.308 3.205 1.00 0.00 C ATOM 7 SD MET A 21 6.038 -36.656 4.338 1.00 0.00 S ATOM 8 CE MET A 21 6.173 -35.882 5.954 1.00 0.00 C ATOM 0 HA MET A 21 9.330 -33.348 2.701 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.568 -35.597 3.354 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.932 -34.382 4.445 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.730 -34.499 3.332 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.355 -35.660 2.178 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.695 -36.515 6.702 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.225 -35.751 6.208 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.681 -34.909 5.934 1.00 0.00 H new ATOM 18 N ALA A 22 7.477 -33.614 0.139 1.00 0.00 N ATOM 19 CA ALA A 22 7.405 -33.984 -1.278 1.00 0.00 C ATOM 20 C ALA A 22 8.588 -33.369 -2.059 1.00 0.00 C ATOM 21 O ALA A 22 8.505 -32.230 -2.528 1.00 0.00 O ATOM 22 CB ALA A 22 6.052 -33.547 -1.873 1.00 0.00 C ATOM 0 H ALA A 22 6.813 -32.888 0.408 1.00 0.00 H new ATOM 0 HA ALA A 22 7.478 -35.068 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.010 -33.827 -2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.242 -34.038 -1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.946 -32.466 -1.781 1.00 0.00 H new ATOM 28 N SER A 23 9.701 -34.126 -2.142 1.00 0.00 N ATOM 29 CA SER A 23 10.907 -33.728 -2.888 1.00 0.00 C ATOM 30 C SER A 23 11.703 -34.982 -3.294 1.00 0.00 C ATOM 31 O SER A 23 11.994 -35.840 -2.454 1.00 0.00 O ATOM 32 CB SER A 23 11.775 -32.764 -2.039 1.00 0.00 C ATOM 33 OG SER A 23 12.861 -32.223 -2.788 1.00 0.00 O ATOM 0 H SER A 23 9.786 -35.036 -1.689 1.00 0.00 H new ATOM 0 HA SER A 23 10.611 -33.198 -3.793 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.153 -31.951 -1.664 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.163 -33.296 -1.170 1.00 0.00 H new ATOM 0 HG SER A 23 13.383 -31.620 -2.219 1.00 0.00 H new ATOM 39 N GLY A 24 12.033 -35.088 -4.589 1.00 0.00 N ATOM 40 CA GLY A 24 12.814 -36.210 -5.119 1.00 0.00 C ATOM 41 C GLY A 24 11.975 -37.441 -5.472 1.00 0.00 C ATOM 42 O GLY A 24 12.523 -38.449 -5.923 1.00 0.00 O ATOM 0 H GLY A 24 11.767 -34.401 -5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.348 -35.879 -6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.567 -36.495 -4.384 1.00 0.00 H new ATOM 46 N TRP A 25 10.642 -37.354 -5.287 1.00 0.00 N ATOM 47 CA TRP A 25 9.721 -38.506 -5.466 1.00 0.00 C ATOM 48 C TRP A 25 9.227 -38.638 -6.923 1.00 0.00 C ATOM 49 O TRP A 25 8.780 -39.717 -7.328 1.00 0.00 O ATOM 50 CB TRP A 25 8.520 -38.398 -4.485 1.00 0.00 C ATOM 51 CG TRP A 25 7.597 -37.226 -4.734 1.00 0.00 C ATOM 52 CD1 TRP A 25 7.801 -35.930 -4.371 1.00 0.00 C ATOM 53 CD2 TRP A 25 6.312 -37.251 -5.386 1.00 0.00 C ATOM 54 NE1 TRP A 25 6.750 -35.151 -4.769 1.00 0.00 N ATOM 55 CE2 TRP A 25 5.825 -35.937 -5.390 1.00 0.00 C ATOM 56 CE3 TRP A 25 5.538 -38.255 -5.976 1.00 0.00 C ATOM 57 CZ2 TRP A 25 4.600 -35.597 -5.950 1.00 0.00 C ATOM 58 CZ3 TRP A 25 4.321 -37.919 -6.537 1.00 0.00 C ATOM 59 CH2 TRP A 25 3.861 -36.598 -6.516 1.00 0.00 C ATOM 0 H TRP A 25 10.172 -36.492 -5.011 1.00 0.00 H new ATOM 0 HA TRP A 25 10.284 -39.411 -5.237 1.00 0.00 H new ATOM 0 HB2 TRP A 25 7.939 -39.318 -4.543 1.00 0.00 H new ATOM 0 HB3 TRP A 25 8.906 -38.328 -3.468 1.00 0.00 H new ATOM 0 HD1 TRP A 25 8.671 -35.568 -3.843 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.671 -34.144 -4.625 1.00 0.00 H new ATOM 0 HE3 TRP A 25 5.886 -39.277 -5.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.244 -34.577 -5.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 3.717 -38.686 -6.998 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.903 -36.364 -6.956 1.00 0.00 H new ATOM 70 N ALA A 26 9.288 -37.533 -7.689 1.00 0.00 N ATOM 71 CA ALA A 26 8.807 -37.494 -9.093 1.00 0.00 C ATOM 72 C ALA A 26 9.569 -36.423 -9.884 1.00 0.00 C ATOM 73 O ALA A 26 10.123 -36.699 -10.954 1.00 0.00 O ATOM 74 CB ALA A 26 7.288 -37.218 -9.132 1.00 0.00 C ATOM 0 H ALA A 26 9.668 -36.645 -7.360 1.00 0.00 H new ATOM 0 HA ALA A 26 8.993 -38.464 -9.555 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.949 -37.192 -10.168 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.761 -38.008 -8.597 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.080 -36.259 -8.658 1.00 0.00 H new ATOM 80 N ASN A 27 9.596 -35.205 -9.321 1.00 0.00 N ATOM 81 CA ASN A 27 10.203 -34.018 -9.952 1.00 0.00 C ATOM 82 C ASN A 27 11.738 -34.091 -9.887 1.00 0.00 C ATOM 83 O ASN A 27 12.355 -33.713 -8.886 1.00 0.00 O ATOM 84 CB ASN A 27 9.673 -32.721 -9.276 1.00 0.00 C ATOM 85 CG ASN A 27 8.166 -32.561 -9.445 1.00 0.00 C ATOM 86 OD1 ASN A 27 7.704 -31.963 -10.411 1.00 0.00 O ATOM 87 ND2 ASN A 27 7.384 -33.115 -8.520 1.00 0.00 N ATOM 0 H ASN A 27 9.193 -35.012 -8.404 1.00 0.00 H new ATOM 0 HA ASN A 27 9.917 -33.997 -11.004 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.918 -32.740 -8.214 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.179 -31.856 -9.705 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.370 -33.049 -8.603 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.800 -33.606 -7.728 1.00 0.00 H new ATOM 94 N ASP A 28 12.328 -34.675 -10.941 1.00 0.00 N ATOM 95 CA ASP A 28 13.787 -34.712 -11.164 1.00 0.00 C ATOM 96 C ASP A 28 14.116 -33.840 -12.382 1.00 0.00 C ATOM 97 O ASP A 28 13.215 -33.388 -13.080 1.00 0.00 O ATOM 98 CB ASP A 28 14.251 -36.187 -11.386 1.00 0.00 C ATOM 99 CG ASP A 28 15.782 -36.389 -11.406 1.00 0.00 C ATOM 100 OD1 ASP A 28 16.407 -36.312 -10.333 1.00 0.00 O ATOM 101 OD2 ASP A 28 16.363 -36.589 -12.498 1.00 0.00 O ATOM 0 H ASP A 28 11.799 -35.143 -11.676 1.00 0.00 H new ATOM 0 HA ASP A 28 14.315 -34.323 -10.293 1.00 0.00 H new ATOM 0 HB2 ASP A 28 13.827 -36.809 -10.598 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.839 -36.544 -12.330 1.00 0.00 H new ATOM 106 N ASP A 29 15.406 -33.641 -12.644 1.00 0.00 N ATOM 107 CA ASP A 29 15.894 -32.838 -13.786 1.00 0.00 C ATOM 108 C ASP A 29 15.656 -33.576 -15.109 1.00 0.00 C ATOM 109 O ASP A 29 15.378 -32.960 -16.133 1.00 0.00 O ATOM 110 CB ASP A 29 17.389 -32.471 -13.607 1.00 0.00 C ATOM 111 CG ASP A 29 18.300 -33.681 -13.338 1.00 0.00 C ATOM 112 OD1 ASP A 29 18.802 -34.292 -14.299 1.00 0.00 O ATOM 113 OD2 ASP A 29 18.505 -34.020 -12.157 1.00 0.00 O ATOM 0 H ASP A 29 16.155 -34.031 -12.072 1.00 0.00 H new ATOM 0 HA ASP A 29 15.327 -31.907 -13.816 1.00 0.00 H new ATOM 0 HB2 ASP A 29 17.737 -31.959 -14.504 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.484 -31.767 -12.781 1.00 0.00 H new ATOM 118 N ALA A 30 15.740 -34.912 -15.057 1.00 0.00 N ATOM 119 CA ALA A 30 15.461 -35.785 -16.212 1.00 0.00 C ATOM 120 C ALA A 30 13.943 -35.884 -16.505 1.00 0.00 C ATOM 121 O ALA A 30 13.534 -36.346 -17.577 1.00 0.00 O ATOM 122 CB ALA A 30 16.064 -37.170 -15.966 1.00 0.00 C ATOM 0 H ALA A 30 16.003 -35.421 -14.213 1.00 0.00 H new ATOM 0 HA ALA A 30 15.925 -35.345 -17.095 1.00 0.00 H new ATOM 0 HB1 ALA A 30 15.857 -37.814 -16.821 1.00 0.00 H new ATOM 0 HB2 ALA A 30 17.142 -37.079 -15.833 1.00 0.00 H new ATOM 0 HB3 ALA A 30 15.623 -37.605 -15.069 1.00 0.00 H new ATOM 128 N VAL A 31 13.122 -35.439 -15.541 1.00 0.00 N ATOM 129 CA VAL A 31 11.648 -35.513 -15.615 1.00 0.00 C ATOM 130 C VAL A 31 11.053 -34.145 -16.008 1.00 0.00 C ATOM 131 O VAL A 31 10.130 -34.070 -16.819 1.00 0.00 O ATOM 132 CB VAL A 31 11.061 -35.995 -14.236 1.00 0.00 C ATOM 133 CG1 VAL A 31 9.512 -36.028 -14.233 1.00 0.00 C ATOM 134 CG2 VAL A 31 11.652 -37.377 -13.840 1.00 0.00 C ATOM 0 H VAL A 31 13.462 -35.013 -14.679 1.00 0.00 H new ATOM 0 HA VAL A 31 11.374 -36.235 -16.384 1.00 0.00 H new ATOM 0 HB VAL A 31 11.360 -35.263 -13.486 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.157 -36.367 -13.260 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.126 -35.028 -14.432 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.161 -36.712 -15.006 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.233 -37.691 -12.884 1.00 0.00 H new ATOM 0 HG22 VAL A 31 11.402 -38.112 -14.605 1.00 0.00 H new ATOM 0 HG23 VAL A 31 12.736 -37.298 -13.753 1.00 0.00 H new ATOM 144 N ASN A 32 11.619 -33.058 -15.449 1.00 0.00 N ATOM 145 CA ASN A 32 11.082 -31.688 -15.630 1.00 0.00 C ATOM 146 C ASN A 32 11.407 -31.123 -17.029 1.00 0.00 C ATOM 147 O ASN A 32 10.777 -30.166 -17.479 1.00 0.00 O ATOM 148 CB ASN A 32 11.569 -30.734 -14.497 1.00 0.00 C ATOM 149 CG ASN A 32 13.090 -30.516 -14.425 1.00 0.00 C ATOM 150 OD1 ASN A 32 13.797 -30.506 -15.427 1.00 0.00 O ATOM 151 ND2 ASN A 32 13.612 -30.337 -13.220 1.00 0.00 N ATOM 0 H ASN A 32 12.454 -33.099 -14.864 1.00 0.00 H new ATOM 0 HA ASN A 32 9.996 -31.754 -15.559 1.00 0.00 H new ATOM 0 HB2 ASN A 32 11.086 -29.766 -14.628 1.00 0.00 H new ATOM 0 HB3 ASN A 32 11.231 -31.132 -13.540 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.616 -30.188 -13.116 1.00 0.00 H new ATOM 0 HD22 ASN A 32 13.010 -30.348 -12.397 1.00 0.00 H new ATOM 158 N GLU A 33 12.413 -31.725 -17.694 1.00 0.00 N ATOM 159 CA GLU A 33 12.738 -31.429 -19.103 1.00 0.00 C ATOM 160 C GLU A 33 11.662 -31.990 -20.054 1.00 0.00 C ATOM 161 O GLU A 33 11.498 -31.504 -21.174 1.00 0.00 O ATOM 162 CB GLU A 33 14.137 -31.976 -19.458 1.00 0.00 C ATOM 163 CG GLU A 33 14.326 -33.478 -19.194 1.00 0.00 C ATOM 164 CD GLU A 33 15.741 -33.967 -19.535 1.00 0.00 C ATOM 165 OE1 GLU A 33 16.708 -33.488 -18.900 1.00 0.00 O ATOM 166 OE2 GLU A 33 15.896 -34.824 -20.429 1.00 0.00 O ATOM 0 H GLU A 33 13.021 -32.427 -17.272 1.00 0.00 H new ATOM 0 HA GLU A 33 12.752 -30.347 -19.230 1.00 0.00 H new ATOM 0 HB2 GLU A 33 14.332 -31.779 -20.512 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.884 -31.424 -18.887 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.117 -33.687 -18.145 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.600 -34.040 -19.782 1.00 0.00 H new ATOM 173 N GLN A 34 10.937 -33.016 -19.586 1.00 0.00 N ATOM 174 CA GLN A 34 9.789 -33.589 -20.310 1.00 0.00 C ATOM 175 C GLN A 34 8.539 -32.715 -20.093 1.00 0.00 C ATOM 176 O GLN A 34 7.627 -32.689 -20.927 1.00 0.00 O ATOM 177 CB GLN A 34 9.530 -35.051 -19.835 1.00 0.00 C ATOM 178 CG GLN A 34 10.763 -35.994 -19.888 1.00 0.00 C ATOM 179 CD GLN A 34 11.269 -36.322 -21.301 1.00 0.00 C ATOM 180 OE1 GLN A 34 11.184 -35.516 -22.225 1.00 0.00 O ATOM 181 NE2 GLN A 34 11.799 -37.519 -21.488 1.00 0.00 N ATOM 0 H GLN A 34 11.129 -33.473 -18.695 1.00 0.00 H new ATOM 0 HA GLN A 34 10.015 -33.610 -21.376 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.159 -35.022 -18.811 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.738 -35.480 -20.449 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.576 -35.536 -19.324 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.510 -36.926 -19.383 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.862 -38.176 -20.710 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.145 -37.785 -22.410 1.00 0.00 H new ATOM 190 N ILE A 35 8.517 -32.001 -18.954 1.00 0.00 N ATOM 191 CA ILE A 35 7.417 -31.094 -18.583 1.00 0.00 C ATOM 192 C ILE A 35 7.554 -29.738 -19.324 1.00 0.00 C ATOM 193 O ILE A 35 6.557 -29.200 -19.822 1.00 0.00 O ATOM 194 CB ILE A 35 7.388 -30.868 -17.019 1.00 0.00 C ATOM 195 CG1 ILE A 35 7.247 -32.241 -16.276 1.00 0.00 C ATOM 196 CG2 ILE A 35 6.267 -29.880 -16.596 1.00 0.00 C ATOM 197 CD1 ILE A 35 7.330 -32.169 -14.758 1.00 0.00 C ATOM 0 H ILE A 35 9.265 -32.037 -18.262 1.00 0.00 H new ATOM 0 HA ILE A 35 6.476 -31.556 -18.883 1.00 0.00 H new ATOM 0 HB ILE A 35 8.334 -30.412 -16.729 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.292 -32.688 -16.551 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.028 -32.912 -16.635 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.283 -29.754 -15.513 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.432 -28.916 -17.076 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.298 -30.276 -16.901 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.221 -33.170 -14.340 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.296 -31.756 -14.466 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.533 -31.529 -14.380 1.00 0.00 H new ATOM 209 N ASN A 36 8.804 -29.211 -19.406 1.00 0.00 N ATOM 210 CA ASN A 36 9.078 -27.883 -20.006 1.00 0.00 C ATOM 211 C ASN A 36 8.974 -27.930 -21.538 1.00 0.00 C ATOM 212 O ASN A 36 8.786 -29.003 -22.126 1.00 0.00 O ATOM 213 CB ASN A 36 10.468 -27.328 -19.544 1.00 0.00 C ATOM 214 CG ASN A 36 11.710 -28.086 -20.072 1.00 0.00 C ATOM 215 OD1 ASN A 36 11.726 -28.635 -21.178 1.00 0.00 O ATOM 216 ND2 ASN A 36 12.786 -28.088 -19.295 1.00 0.00 N ATOM 0 H ASN A 36 9.637 -29.688 -19.063 1.00 0.00 H new ATOM 0 HA ASN A 36 8.313 -27.194 -19.647 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.543 -26.286 -19.856 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.497 -27.338 -18.454 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.641 -28.547 -19.609 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.758 -27.630 -18.384 1.00 0.00 H new ATOM 223 N SER A 37 9.114 -26.761 -22.181 1.00 0.00 N ATOM 224 CA SER A 37 9.109 -26.649 -23.645 1.00 0.00 C ATOM 225 C SER A 37 10.501 -26.248 -24.173 1.00 0.00 C ATOM 226 O SER A 37 10.621 -25.843 -25.321 1.00 0.00 O ATOM 227 CB SER A 37 8.010 -25.638 -24.079 1.00 0.00 C ATOM 228 OG SER A 37 8.210 -24.368 -23.477 1.00 0.00 O ATOM 0 H SER A 37 9.234 -25.869 -21.701 1.00 0.00 H new ATOM 0 HA SER A 37 8.877 -27.620 -24.082 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.017 -25.534 -25.164 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.029 -26.023 -23.802 1.00 0.00 H new ATOM 0 HG SER A 37 7.505 -23.753 -23.769 1.00 0.00 H new ATOM 234 N THR A 38 11.543 -26.430 -23.341 1.00 0.00 N ATOM 235 CA THR A 38 12.939 -26.066 -23.670 1.00 0.00 C ATOM 236 C THR A 38 13.518 -27.005 -24.748 1.00 0.00 C ATOM 237 O THR A 38 14.148 -26.568 -25.725 1.00 0.00 O ATOM 238 CB THR A 38 13.831 -26.148 -22.383 1.00 0.00 C ATOM 239 OG1 THR A 38 13.263 -25.315 -21.354 1.00 0.00 O ATOM 240 CG2 THR A 38 15.287 -25.733 -22.652 1.00 0.00 C ATOM 0 H THR A 38 11.441 -26.838 -22.412 1.00 0.00 H new ATOM 0 HA THR A 38 12.938 -25.047 -24.057 1.00 0.00 H new ATOM 0 HB THR A 38 13.850 -27.188 -22.058 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.818 -25.366 -20.548 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.863 -25.807 -21.729 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.720 -26.392 -23.404 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.311 -24.705 -23.013 1.00 0.00 H new ATOM 248 N ILE A 39 13.255 -28.300 -24.557 1.00 0.00 N ATOM 249 CA ILE A 39 13.859 -29.378 -25.352 1.00 0.00 C ATOM 250 C ILE A 39 13.242 -29.408 -26.767 1.00 0.00 C ATOM 251 O ILE A 39 13.927 -29.677 -27.765 1.00 0.00 O ATOM 252 CB ILE A 39 13.672 -30.765 -24.629 1.00 0.00 C ATOM 253 CG1 ILE A 39 14.026 -30.663 -23.103 1.00 0.00 C ATOM 254 CG2 ILE A 39 14.494 -31.880 -25.321 1.00 0.00 C ATOM 255 CD1 ILE A 39 15.433 -30.173 -22.789 1.00 0.00 C ATOM 0 H ILE A 39 12.611 -28.635 -23.840 1.00 0.00 H new ATOM 0 HA ILE A 39 14.928 -29.187 -25.448 1.00 0.00 H new ATOM 0 HB ILE A 39 12.619 -31.036 -24.709 1.00 0.00 H new ATOM 0 HG12 ILE A 39 13.311 -29.992 -22.626 1.00 0.00 H new ATOM 0 HG13 ILE A 39 13.892 -31.645 -22.650 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.342 -32.823 -24.796 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.168 -31.984 -26.356 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.552 -31.619 -25.299 1.00 0.00 H new ATOM 0 HD11 ILE A 39 15.574 -30.139 -21.709 1.00 0.00 H new ATOM 0 HD12 ILE A 39 16.162 -30.854 -23.229 1.00 0.00 H new ATOM 0 HD13 ILE A 39 15.572 -29.175 -23.204 1.00 0.00 H new ATOM 267 N GLU A 40 11.940 -29.085 -26.835 1.00 0.00 N ATOM 268 CA GLU A 40 11.185 -29.043 -28.104 1.00 0.00 C ATOM 269 C GLU A 40 11.396 -27.693 -28.813 1.00 0.00 C ATOM 270 O GLU A 40 11.295 -27.617 -30.037 1.00 0.00 O ATOM 271 CB GLU A 40 9.679 -29.306 -27.846 1.00 0.00 C ATOM 272 CG GLU A 40 8.938 -28.180 -27.105 1.00 0.00 C ATOM 273 CD GLU A 40 7.528 -28.576 -26.652 1.00 0.00 C ATOM 274 OE1 GLU A 40 6.588 -28.517 -27.475 1.00 0.00 O ATOM 275 OE2 GLU A 40 7.357 -28.969 -25.474 1.00 0.00 O ATOM 0 H GLU A 40 11.380 -28.846 -26.016 1.00 0.00 H new ATOM 0 HA GLU A 40 11.560 -29.830 -28.759 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.186 -29.475 -28.803 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.580 -30.226 -27.269 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.522 -27.883 -26.234 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.871 -27.309 -27.756 1.00 0.00 H new ATOM 282 N ASP A 41 11.695 -26.634 -28.023 1.00 0.00 N ATOM 283 CA ASP A 41 12.022 -25.285 -28.547 1.00 0.00 C ATOM 284 C ASP A 41 13.300 -25.337 -29.386 1.00 0.00 C ATOM 285 O ASP A 41 13.394 -24.676 -30.425 1.00 0.00 O ATOM 286 CB ASP A 41 12.200 -24.277 -27.379 1.00 0.00 C ATOM 287 CG ASP A 41 12.646 -22.866 -27.816 1.00 0.00 C ATOM 288 OD1 ASP A 41 11.787 -22.059 -28.239 1.00 0.00 O ATOM 289 OD2 ASP A 41 13.853 -22.541 -27.699 1.00 0.00 O ATOM 0 H ASP A 41 11.716 -26.690 -27.005 1.00 0.00 H new ATOM 0 HA ASP A 41 11.197 -24.952 -29.177 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.257 -24.195 -26.839 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.934 -24.676 -26.679 1.00 0.00 H new ATOM 294 N ALA A 42 14.269 -26.140 -28.908 1.00 0.00 N ATOM 295 CA ALA A 42 15.538 -26.378 -29.609 1.00 0.00 C ATOM 296 C ALA A 42 15.284 -26.906 -31.035 1.00 0.00 C ATOM 297 O ALA A 42 15.769 -26.336 -32.014 1.00 0.00 O ATOM 298 CB ALA A 42 16.403 -27.361 -28.808 1.00 0.00 C ATOM 0 H ALA A 42 14.191 -26.641 -28.023 1.00 0.00 H new ATOM 0 HA ALA A 42 16.074 -25.432 -29.694 1.00 0.00 H new ATOM 0 HB1 ALA A 42 17.342 -27.532 -29.335 1.00 0.00 H new ATOM 0 HB2 ALA A 42 16.610 -26.944 -27.823 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.872 -28.306 -28.697 1.00 0.00 H new ATOM 304 N ILE A 43 14.465 -27.963 -31.118 1.00 0.00 N ATOM 305 CA ILE A 43 14.077 -28.615 -32.390 1.00 0.00 C ATOM 306 C ILE A 43 13.234 -27.659 -33.271 1.00 0.00 C ATOM 307 O ILE A 43 13.360 -27.637 -34.513 1.00 0.00 O ATOM 308 CB ILE A 43 13.260 -29.933 -32.099 1.00 0.00 C ATOM 309 CG1 ILE A 43 14.046 -30.887 -31.129 1.00 0.00 C ATOM 310 CG2 ILE A 43 12.864 -30.661 -33.409 1.00 0.00 C ATOM 311 CD1 ILE A 43 15.413 -31.342 -31.624 1.00 0.00 C ATOM 0 H ILE A 43 14.045 -28.400 -30.298 1.00 0.00 H new ATOM 0 HA ILE A 43 14.989 -28.868 -32.931 1.00 0.00 H new ATOM 0 HB ILE A 43 12.336 -29.641 -31.600 1.00 0.00 H new ATOM 0 HG12 ILE A 43 14.175 -30.379 -30.173 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.435 -31.770 -30.941 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.303 -31.564 -33.168 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.246 -30.002 -34.019 1.00 0.00 H new ATOM 0 HG23 ILE A 43 13.764 -30.930 -33.962 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.870 -31.995 -30.881 1.00 0.00 H new ATOM 0 HD12 ILE A 43 15.298 -31.884 -32.563 1.00 0.00 H new ATOM 0 HD13 ILE A 43 16.050 -30.472 -31.783 1.00 0.00 H new ATOM 323 N ALA A 44 12.399 -26.863 -32.590 1.00 0.00 N ATOM 324 CA ALA A 44 11.463 -25.918 -33.211 1.00 0.00 C ATOM 325 C ALA A 44 12.204 -24.824 -34.013 1.00 0.00 C ATOM 326 O ALA A 44 11.772 -24.450 -35.111 1.00 0.00 O ATOM 327 CB ALA A 44 10.575 -25.287 -32.123 1.00 0.00 C ATOM 0 H ALA A 44 12.355 -26.858 -31.571 1.00 0.00 H new ATOM 0 HA ALA A 44 10.839 -26.466 -33.917 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.879 -24.585 -32.583 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.015 -26.070 -31.611 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.201 -24.759 -31.404 1.00 0.00 H new ATOM 333 N ARG A 45 13.321 -24.316 -33.462 1.00 0.00 N ATOM 334 CA ARG A 45 14.153 -23.303 -34.137 1.00 0.00 C ATOM 335 C ARG A 45 15.281 -23.944 -34.974 1.00 0.00 C ATOM 336 O ARG A 45 15.865 -23.279 -35.836 1.00 0.00 O ATOM 337 CB ARG A 45 14.685 -22.257 -33.098 1.00 0.00 C ATOM 338 CG ARG A 45 15.543 -22.792 -31.911 1.00 0.00 C ATOM 339 CD ARG A 45 16.999 -23.114 -32.276 1.00 0.00 C ATOM 340 NE ARG A 45 17.761 -23.549 -31.088 1.00 0.00 N ATOM 341 CZ ARG A 45 18.528 -24.647 -30.996 1.00 0.00 C ATOM 342 NH1 ARG A 45 18.691 -25.473 -32.028 1.00 0.00 N ATOM 343 NH2 ARG A 45 19.122 -24.921 -29.847 1.00 0.00 N ATOM 0 H ARG A 45 13.670 -24.593 -32.545 1.00 0.00 H new ATOM 0 HA ARG A 45 13.529 -22.766 -34.851 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.280 -21.520 -33.637 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.826 -21.730 -32.682 1.00 0.00 H new ATOM 0 HG2 ARG A 45 15.537 -22.051 -31.111 1.00 0.00 H new ATOM 0 HG3 ARG A 45 15.073 -23.692 -31.515 1.00 0.00 H new ATOM 0 HD2 ARG A 45 17.023 -23.897 -33.034 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.471 -22.234 -32.712 1.00 0.00 H new ATOM 0 HE ARG A 45 17.699 -22.959 -30.258 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.227 -25.278 -32.915 1.00 0.00 H new ATOM 0 HH12 ARG A 45 19.279 -26.300 -31.931 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.994 -24.302 -29.046 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.708 -25.751 -29.761 1.00 0.00 H new ATOM 357 N ALA A 46 15.585 -25.235 -34.709 1.00 0.00 N ATOM 358 CA ALA A 46 16.681 -25.962 -35.392 1.00 0.00 C ATOM 359 C ALA A 46 16.337 -26.221 -36.867 1.00 0.00 C ATOM 360 O ALA A 46 16.923 -25.609 -37.773 1.00 0.00 O ATOM 361 CB ALA A 46 16.989 -27.288 -34.675 1.00 0.00 C ATOM 0 H ALA A 46 15.083 -25.798 -34.022 1.00 0.00 H new ATOM 0 HA ALA A 46 17.570 -25.333 -35.353 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.797 -27.804 -35.195 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.290 -27.085 -33.647 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.099 -27.917 -34.674 1.00 0.00 H new ATOM 367 N ARG A 47 15.347 -27.098 -37.100 1.00 0.00 N ATOM 368 CA ARG A 47 14.910 -27.485 -38.459 1.00 0.00 C ATOM 369 C ARG A 47 13.431 -27.141 -38.703 1.00 0.00 C ATOM 370 O ARG A 47 12.850 -27.567 -39.705 1.00 0.00 O ATOM 371 CB ARG A 47 15.239 -28.996 -38.707 1.00 0.00 C ATOM 372 CG ARG A 47 14.794 -30.013 -37.609 1.00 0.00 C ATOM 373 CD ARG A 47 13.281 -30.315 -37.593 1.00 0.00 C ATOM 374 NE ARG A 47 12.770 -30.724 -38.925 1.00 0.00 N ATOM 375 CZ ARG A 47 11.865 -31.690 -39.161 1.00 0.00 C ATOM 376 NH1 ARG A 47 11.397 -32.438 -38.178 1.00 0.00 N ATOM 377 NH2 ARG A 47 11.444 -31.907 -40.391 1.00 0.00 N ATOM 0 H ARG A 47 14.825 -27.560 -36.355 1.00 0.00 H new ATOM 0 HA ARG A 47 15.466 -26.901 -39.192 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.777 -29.292 -39.649 1.00 0.00 H new ATOM 0 HB3 ARG A 47 16.317 -29.090 -38.837 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.337 -30.947 -37.755 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.085 -29.625 -36.633 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.079 -31.106 -36.871 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.741 -29.431 -37.256 1.00 0.00 H new ATOM 0 HE ARG A 47 13.139 -30.227 -39.736 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.722 -32.287 -37.223 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.711 -33.167 -38.374 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.805 -31.343 -41.160 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.758 -32.639 -40.573 1.00 0.00 H new ATOM 391 N GLY A 48 12.850 -26.347 -37.780 1.00 0.00 N ATOM 392 CA GLY A 48 11.486 -25.833 -37.921 1.00 0.00 C ATOM 393 C GLY A 48 10.409 -26.907 -37.919 1.00 0.00 C ATOM 394 O GLY A 48 9.519 -26.900 -38.776 1.00 0.00 O ATOM 0 H GLY A 48 13.316 -26.050 -36.923 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.288 -25.135 -37.108 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.417 -25.268 -38.851 1.00 0.00 H new ATOM 398 N GLU A 49 10.495 -27.829 -36.948 1.00 0.00 N ATOM 399 CA GLU A 49 9.531 -28.934 -36.813 1.00 0.00 C ATOM 400 C GLU A 49 8.185 -28.388 -36.303 1.00 0.00 C ATOM 401 O GLU A 49 7.147 -28.539 -36.962 1.00 0.00 O ATOM 402 CB GLU A 49 10.086 -30.011 -35.849 1.00 0.00 C ATOM 403 CG GLU A 49 9.240 -31.298 -35.763 1.00 0.00 C ATOM 404 CD GLU A 49 9.895 -32.393 -34.903 1.00 0.00 C ATOM 405 OE1 GLU A 49 10.768 -33.129 -35.419 1.00 0.00 O ATOM 406 OE2 GLU A 49 9.563 -32.510 -33.712 1.00 0.00 O ATOM 0 H GLU A 49 11.228 -27.831 -36.239 1.00 0.00 H new ATOM 0 HA GLU A 49 9.374 -29.397 -37.787 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.095 -30.276 -36.165 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.167 -29.579 -34.852 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.261 -31.056 -35.349 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.074 -31.685 -36.768 1.00 0.00 H new ATOM 413 N ILE A 50 8.223 -27.753 -35.116 1.00 0.00 N ATOM 414 CA ILE A 50 7.073 -27.042 -34.536 1.00 0.00 C ATOM 415 C ILE A 50 7.325 -25.509 -34.595 1.00 0.00 C ATOM 416 O ILE A 50 8.456 -25.064 -34.423 1.00 0.00 O ATOM 417 CB ILE A 50 6.783 -27.548 -33.056 1.00 0.00 C ATOM 418 CG1 ILE A 50 6.202 -29.007 -33.096 1.00 0.00 C ATOM 419 CG2 ILE A 50 5.855 -26.584 -32.261 1.00 0.00 C ATOM 420 CD1 ILE A 50 5.572 -29.494 -31.798 1.00 0.00 C ATOM 0 H ILE A 50 9.058 -27.720 -34.531 1.00 0.00 H new ATOM 0 HA ILE A 50 6.179 -27.259 -35.121 1.00 0.00 H new ATOM 0 HB ILE A 50 7.731 -27.559 -32.518 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.453 -29.060 -33.886 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.004 -29.692 -33.370 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.692 -26.980 -31.259 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.324 -25.602 -32.191 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.898 -26.493 -32.775 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.202 -30.511 -31.932 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.319 -29.481 -31.004 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.743 -28.839 -31.528 1.00 0.00 H new ATOM 432 N PRO A 51 6.279 -24.692 -34.936 1.00 0.00 N ATOM 433 CA PRO A 51 6.318 -23.198 -34.818 1.00 0.00 C ATOM 434 C PRO A 51 6.471 -22.687 -33.355 1.00 0.00 C ATOM 435 O PRO A 51 6.713 -23.458 -32.423 1.00 0.00 O ATOM 436 CB PRO A 51 4.946 -22.775 -35.426 1.00 0.00 C ATOM 437 CG PRO A 51 4.092 -23.992 -35.297 1.00 0.00 C ATOM 438 CD PRO A 51 5.008 -25.149 -35.548 1.00 0.00 C ATOM 0 HA PRO A 51 7.185 -22.772 -35.323 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.517 -21.930 -34.888 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.050 -22.471 -36.468 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.644 -24.054 -34.305 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.273 -23.976 -36.017 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.641 -26.065 -35.085 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.121 -25.353 -36.613 1.00 0.00 H new ATOM 446 N ARG A 52 6.329 -21.363 -33.173 1.00 0.00 N ATOM 447 CA ARG A 52 6.490 -20.689 -31.862 1.00 0.00 C ATOM 448 C ARG A 52 5.139 -20.630 -31.108 1.00 0.00 C ATOM 449 O ARG A 52 4.693 -19.556 -30.669 1.00 0.00 O ATOM 450 CB ARG A 52 7.042 -19.262 -32.102 1.00 0.00 C ATOM 451 CG ARG A 52 8.425 -19.210 -32.793 1.00 0.00 C ATOM 452 CD ARG A 52 8.795 -17.793 -33.258 1.00 0.00 C ATOM 453 NE ARG A 52 7.842 -17.292 -34.270 1.00 0.00 N ATOM 454 CZ ARG A 52 7.314 -16.058 -34.311 1.00 0.00 C ATOM 455 NH1 ARG A 52 7.598 -15.160 -33.373 1.00 0.00 N ATOM 456 NH2 ARG A 52 6.491 -15.734 -35.290 1.00 0.00 N ATOM 0 H ARG A 52 6.098 -20.722 -33.932 1.00 0.00 H new ATOM 0 HA ARG A 52 7.189 -21.254 -31.245 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.327 -18.708 -32.710 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.111 -18.748 -31.143 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.187 -19.573 -32.103 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.425 -19.882 -33.651 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.807 -17.119 -32.402 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.802 -17.796 -33.675 1.00 0.00 H new ATOM 0 HE ARG A 52 7.560 -17.942 -35.004 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.226 -15.404 -32.607 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.188 -14.227 -33.419 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.260 -16.419 -36.009 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.086 -14.799 -35.327 1.00 0.00 H new ATOM 470 N GLY A 53 4.503 -21.799 -30.945 1.00 0.00 N ATOM 471 CA GLY A 53 3.176 -21.887 -30.339 1.00 0.00 C ATOM 472 C GLY A 53 2.079 -21.722 -31.381 1.00 0.00 C ATOM 473 O GLY A 53 1.660 -20.597 -31.685 1.00 0.00 O ATOM 0 H GLY A 53 4.893 -22.698 -31.228 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.065 -22.850 -29.841 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.072 -21.118 -29.574 1.00 0.00 H new ATOM 477 N GLU A 54 1.643 -22.856 -31.949 1.00 0.00 N ATOM 478 CA GLU A 54 0.620 -22.886 -33.008 1.00 0.00 C ATOM 479 C GLU A 54 -0.795 -22.921 -32.404 1.00 0.00 C ATOM 480 O GLU A 54 -0.983 -22.775 -31.190 1.00 0.00 O ATOM 481 CB GLU A 54 0.831 -24.110 -33.967 1.00 0.00 C ATOM 482 CG GLU A 54 0.495 -25.506 -33.390 1.00 0.00 C ATOM 483 CD GLU A 54 1.415 -25.956 -32.241 1.00 0.00 C ATOM 484 OE1 GLU A 54 2.496 -26.500 -32.522 1.00 0.00 O ATOM 485 OE2 GLU A 54 1.060 -25.760 -31.057 1.00 0.00 O ATOM 0 H GLU A 54 1.989 -23.779 -31.688 1.00 0.00 H new ATOM 0 HA GLU A 54 0.726 -21.972 -33.593 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.223 -23.954 -34.858 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.872 -24.116 -34.289 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.535 -25.500 -33.034 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.551 -26.241 -34.193 1.00 0.00 H new ATOM 492 N SER A 55 -1.782 -23.075 -33.280 1.00 0.00 N ATOM 493 CA SER A 55 -3.168 -23.306 -32.911 1.00 0.00 C ATOM 494 C SER A 55 -3.353 -24.744 -32.378 1.00 0.00 C ATOM 495 O SER A 55 -3.051 -25.715 -33.082 1.00 0.00 O ATOM 496 CB SER A 55 -4.018 -23.047 -34.157 1.00 0.00 C ATOM 497 OG SER A 55 -3.525 -23.756 -35.286 1.00 0.00 O ATOM 0 H SER A 55 -1.634 -23.041 -34.289 1.00 0.00 H new ATOM 0 HA SER A 55 -3.478 -22.637 -32.108 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.049 -23.344 -33.963 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.029 -21.979 -34.374 1.00 0.00 H new ATOM 0 HG SER A 55 -3.267 -24.662 -35.016 1.00 0.00 H new ATOM 503 N LEU A 56 -3.821 -24.860 -31.125 1.00 0.00 N ATOM 504 CA LEU A 56 -4.007 -26.159 -30.446 1.00 0.00 C ATOM 505 C LEU A 56 -5.310 -26.857 -30.911 1.00 0.00 C ATOM 506 O LEU A 56 -6.073 -26.295 -31.707 1.00 0.00 O ATOM 507 CB LEU A 56 -3.945 -25.971 -28.887 1.00 0.00 C ATOM 508 CG LEU A 56 -4.705 -24.739 -28.282 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.220 -24.830 -28.478 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.363 -24.508 -26.795 1.00 0.00 C ATOM 0 H LEU A 56 -4.082 -24.058 -30.551 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.189 -26.823 -30.727 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.341 -26.874 -28.422 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.897 -25.897 -28.597 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.351 -23.873 -28.842 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.697 -23.953 -28.041 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.447 -24.874 -29.543 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.597 -25.729 -27.990 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.915 -23.644 -26.425 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.639 -25.390 -26.217 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.293 -24.327 -26.692 1.00 0.00 H new ATOM 522 N ASP A 57 -5.562 -28.071 -30.380 1.00 0.00 N ATOM 523 CA ASP A 57 -6.732 -28.907 -30.767 1.00 0.00 C ATOM 524 C ASP A 57 -7.775 -29.009 -29.626 1.00 0.00 C ATOM 525 O ASP A 57 -8.845 -29.605 -29.809 1.00 0.00 O ATOM 526 CB ASP A 57 -6.257 -30.327 -31.190 1.00 0.00 C ATOM 527 CG ASP A 57 -5.668 -31.149 -30.027 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.584 -30.782 -29.524 1.00 0.00 O ATOM 529 OD2 ASP A 57 -6.284 -32.158 -29.612 1.00 0.00 O ATOM 0 H ASP A 57 -4.967 -28.504 -29.673 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.219 -28.421 -31.612 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.099 -30.870 -31.619 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.506 -30.232 -31.974 1.00 0.00 H new ATOM 534 N GLU A 58 -7.477 -28.371 -28.473 1.00 0.00 N ATOM 535 CA GLU A 58 -8.296 -28.457 -27.232 1.00 0.00 C ATOM 536 C GLU A 58 -8.280 -27.110 -26.476 1.00 0.00 C ATOM 537 O GLU A 58 -7.224 -26.637 -26.052 1.00 0.00 O ATOM 538 CB GLU A 58 -7.811 -29.597 -26.290 1.00 0.00 C ATOM 539 CG GLU A 58 -8.094 -31.018 -26.806 1.00 0.00 C ATOM 540 CD GLU A 58 -7.642 -32.105 -25.823 1.00 0.00 C ATOM 541 OE1 GLU A 58 -6.466 -32.513 -25.871 1.00 0.00 O ATOM 542 OE2 GLU A 58 -8.456 -32.540 -24.985 1.00 0.00 O ATOM 0 H GLU A 58 -6.655 -27.775 -28.371 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.316 -28.688 -27.538 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.738 -29.489 -26.133 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.289 -29.476 -25.318 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.162 -31.126 -26.995 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.586 -31.162 -27.759 1.00 0.00 H new ATOM 549 N CYS A 59 -9.474 -26.519 -26.351 1.00 0.00 N ATOM 550 CA CYS A 59 -9.751 -25.258 -25.617 1.00 0.00 C ATOM 551 C CYS A 59 -9.132 -25.231 -24.209 1.00 0.00 C ATOM 552 O CYS A 59 -9.354 -26.145 -23.436 1.00 0.00 O ATOM 553 CB CYS A 59 -11.276 -25.137 -25.524 1.00 0.00 C ATOM 554 SG CYS A 59 -11.915 -23.686 -24.655 1.00 0.00 S ATOM 0 H CYS A 59 -10.314 -26.915 -26.772 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.300 -24.422 -26.152 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.681 -25.135 -26.536 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.660 -26.029 -25.029 1.00 0.00 H new ATOM 559 N GLU A 60 -8.393 -24.159 -23.882 1.00 0.00 N ATOM 560 CA GLU A 60 -7.711 -24.013 -22.577 1.00 0.00 C ATOM 561 C GLU A 60 -8.712 -23.796 -21.410 1.00 0.00 C ATOM 562 O GLU A 60 -8.361 -23.967 -20.244 1.00 0.00 O ATOM 563 CB GLU A 60 -6.708 -22.819 -22.640 1.00 0.00 C ATOM 564 CG GLU A 60 -7.383 -21.440 -22.827 1.00 0.00 C ATOM 565 CD GLU A 60 -6.428 -20.231 -22.809 1.00 0.00 C ATOM 566 OE1 GLU A 60 -5.345 -20.313 -22.192 1.00 0.00 O ATOM 567 OE2 GLU A 60 -6.774 -19.184 -23.398 1.00 0.00 O ATOM 0 H GLU A 60 -8.249 -23.368 -24.510 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.177 -24.943 -22.380 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.120 -22.803 -21.722 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.012 -22.986 -23.462 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.921 -21.443 -23.775 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.125 -21.308 -22.040 1.00 0.00 H new ATOM 574 N GLU A 61 -9.960 -23.414 -21.750 1.00 0.00 N ATOM 575 CA GLU A 61 -10.993 -23.020 -20.769 1.00 0.00 C ATOM 576 C GLU A 61 -11.862 -24.213 -20.368 1.00 0.00 C ATOM 577 O GLU A 61 -12.099 -24.456 -19.184 1.00 0.00 O ATOM 578 CB GLU A 61 -11.887 -21.907 -21.376 1.00 0.00 C ATOM 579 CG GLU A 61 -11.120 -20.663 -21.842 1.00 0.00 C ATOM 580 CD GLU A 61 -10.451 -19.876 -20.693 1.00 0.00 C ATOM 581 OE1 GLU A 61 -11.116 -18.999 -20.108 1.00 0.00 O ATOM 582 OE2 GLU A 61 -9.262 -20.118 -20.373 1.00 0.00 O ATOM 0 H GLU A 61 -10.281 -23.370 -22.717 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.491 -22.649 -19.876 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.435 -22.320 -22.223 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.626 -21.606 -20.634 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.354 -20.966 -22.556 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.806 -20.002 -22.371 1.00 0.00 H new ATOM 589 N CYS A 62 -12.338 -24.969 -21.376 1.00 0.00 N ATOM 590 CA CYS A 62 -13.345 -26.024 -21.149 1.00 0.00 C ATOM 591 C CYS A 62 -12.990 -27.332 -21.894 1.00 0.00 C ATOM 592 O CYS A 62 -13.798 -28.254 -21.941 1.00 0.00 O ATOM 593 CB CYS A 62 -14.756 -25.495 -21.538 1.00 0.00 C ATOM 594 SG CYS A 62 -15.113 -25.368 -23.323 1.00 0.00 S ATOM 0 H CYS A 62 -12.044 -24.870 -22.348 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.351 -26.274 -20.088 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.502 -26.149 -21.086 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -14.885 -24.508 -21.093 1.00 0.00 H new ATOM 599 N GLY A 63 -11.741 -27.408 -22.425 1.00 0.00 N ATOM 600 CA GLY A 63 -11.224 -28.600 -23.143 1.00 0.00 C ATOM 601 C GLY A 63 -12.040 -29.041 -24.363 1.00 0.00 C ATOM 602 O GLY A 63 -11.905 -30.175 -24.825 1.00 0.00 O ATOM 0 H GLY A 63 -11.067 -26.645 -22.367 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.203 -28.394 -23.466 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.174 -29.432 -22.441 1.00 0.00 H new ATOM 606 N ALA A 64 -12.866 -28.128 -24.892 1.00 0.00 N ATOM 607 CA ALA A 64 -13.747 -28.414 -26.040 1.00 0.00 C ATOM 608 C ALA A 64 -12.934 -28.514 -27.351 1.00 0.00 C ATOM 609 O ALA A 64 -11.982 -27.734 -27.536 1.00 0.00 O ATOM 610 CB ALA A 64 -14.831 -27.333 -26.149 1.00 0.00 C ATOM 0 H ALA A 64 -12.945 -27.174 -24.540 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.229 -29.378 -25.877 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.478 -27.551 -26.999 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.425 -27.320 -25.235 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.361 -26.360 -26.291 1.00 0.00 H new ATOM 616 N PRO A 65 -13.314 -29.451 -28.290 1.00 0.00 N ATOM 617 CA PRO A 65 -12.551 -29.696 -29.536 1.00 0.00 C ATOM 618 C PRO A 65 -12.502 -28.439 -30.438 1.00 0.00 C ATOM 619 O PRO A 65 -13.530 -27.971 -30.938 1.00 0.00 O ATOM 620 CB PRO A 65 -13.317 -30.871 -30.211 1.00 0.00 C ATOM 621 CG PRO A 65 -14.698 -30.812 -29.629 1.00 0.00 C ATOM 622 CD PRO A 65 -14.518 -30.329 -28.207 1.00 0.00 C ATOM 0 HA PRO A 65 -11.504 -29.935 -29.348 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.339 -30.758 -31.295 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.839 -31.828 -30.000 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.334 -30.133 -30.196 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.176 -31.791 -29.653 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.392 -29.781 -27.855 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.364 -31.159 -27.517 1.00 0.00 H new ATOM 630 N ILE A 66 -11.290 -27.876 -30.569 1.00 0.00 N ATOM 631 CA ILE A 66 -11.016 -26.694 -31.405 1.00 0.00 C ATOM 632 C ILE A 66 -11.254 -27.026 -32.893 1.00 0.00 C ATOM 633 O ILE A 66 -10.653 -27.982 -33.401 1.00 0.00 O ATOM 634 CB ILE A 66 -9.529 -26.212 -31.183 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.297 -25.829 -29.699 1.00 0.00 C ATOM 636 CG2 ILE A 66 -9.145 -25.039 -32.124 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.798 -24.473 -29.296 1.00 0.00 C ATOM 0 H ILE A 66 -10.462 -28.233 -30.092 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.694 -25.891 -31.116 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.876 -27.048 -31.435 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.779 -26.577 -29.069 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.228 -25.879 -29.492 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.113 -24.743 -31.934 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.246 -25.357 -33.162 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.806 -24.192 -31.938 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.586 -24.306 -28.240 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.299 -23.709 -29.892 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.874 -24.418 -29.463 1.00 0.00 H new ATOM 649 N PRO A 67 -12.144 -26.266 -33.610 1.00 0.00 N ATOM 650 CA PRO A 67 -12.357 -26.468 -35.054 1.00 0.00 C ATOM 651 C PRO A 67 -11.149 -25.954 -35.862 1.00 0.00 C ATOM 652 O PRO A 67 -10.518 -24.946 -35.489 1.00 0.00 O ATOM 653 CB PRO A 67 -13.645 -25.659 -35.349 1.00 0.00 C ATOM 654 CG PRO A 67 -13.652 -24.576 -34.320 1.00 0.00 C ATOM 655 CD PRO A 67 -13.002 -25.168 -33.080 1.00 0.00 C ATOM 0 HA PRO A 67 -12.459 -27.516 -35.334 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.632 -25.247 -36.358 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.534 -26.286 -35.271 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.101 -23.703 -34.670 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.669 -24.247 -34.107 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.412 -24.424 -32.545 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.748 -25.547 -32.381 1.00 0.00 H new ATOM 663 N GLN A 68 -10.846 -26.649 -36.972 1.00 0.00 N ATOM 664 CA GLN A 68 -9.720 -26.311 -37.858 1.00 0.00 C ATOM 665 C GLN A 68 -9.908 -24.918 -38.489 1.00 0.00 C ATOM 666 O GLN A 68 -8.941 -24.309 -38.945 1.00 0.00 O ATOM 667 CB GLN A 68 -9.533 -27.408 -38.951 1.00 0.00 C ATOM 668 CG GLN A 68 -10.656 -27.499 -40.034 1.00 0.00 C ATOM 669 CD GLN A 68 -10.286 -26.926 -41.425 1.00 0.00 C ATOM 670 OE1 GLN A 68 -9.369 -25.956 -41.488 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -10.821 -27.366 -42.446 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.377 -27.463 -37.280 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.812 -26.277 -37.256 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.583 -27.231 -39.456 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.455 -28.376 -38.456 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.937 -28.545 -40.154 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.536 -26.972 -39.665 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.519 -28.107 -42.377 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.565 -26.989 -43.359 1.00 0.00 H new ATOM 680 N ALA A 69 -11.173 -24.448 -38.500 1.00 0.00 N ATOM 681 CA ALA A 69 -11.552 -23.116 -38.987 1.00 0.00 C ATOM 682 C ALA A 69 -10.904 -22.031 -38.108 1.00 0.00 C ATOM 683 O ALA A 69 -10.298 -21.087 -38.616 1.00 0.00 O ATOM 684 CB ALA A 69 -13.090 -22.976 -38.995 1.00 0.00 C ATOM 0 H ALA A 69 -11.966 -24.995 -38.165 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.192 -22.989 -40.008 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.363 -21.985 -39.358 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.521 -23.733 -39.650 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.473 -23.111 -37.983 1.00 0.00 H new ATOM 690 N ARG A 70 -11.016 -22.204 -36.774 1.00 0.00 N ATOM 691 CA ARG A 70 -10.387 -21.300 -35.784 1.00 0.00 C ATOM 692 C ARG A 70 -8.860 -21.440 -35.798 1.00 0.00 C ATOM 693 O ARG A 70 -8.142 -20.473 -35.529 1.00 0.00 O ATOM 694 CB ARG A 70 -10.942 -21.554 -34.355 1.00 0.00 C ATOM 695 CG ARG A 70 -12.431 -21.168 -34.149 1.00 0.00 C ATOM 696 CD ARG A 70 -12.706 -19.642 -34.177 1.00 0.00 C ATOM 697 NE ARG A 70 -12.562 -19.047 -35.521 1.00 0.00 N ATOM 698 CZ ARG A 70 -12.325 -17.755 -35.780 1.00 0.00 C ATOM 699 NH1 ARG A 70 -12.247 -16.860 -34.811 1.00 0.00 N ATOM 700 NH2 ARG A 70 -12.192 -17.355 -37.021 1.00 0.00 N ATOM 0 H ARG A 70 -11.542 -22.970 -36.353 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.639 -20.279 -36.070 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.820 -22.611 -34.117 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.336 -20.995 -33.642 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.029 -21.647 -34.924 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.769 -21.568 -33.193 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.715 -19.455 -33.811 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.021 -19.144 -33.491 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.651 -19.674 -36.320 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.368 -17.148 -33.840 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.065 -15.881 -35.034 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.269 -18.027 -37.784 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.011 -16.372 -37.223 1.00 0.00 H new ATOM 714 N ARG A 71 -8.371 -22.660 -36.097 1.00 0.00 N ATOM 715 CA ARG A 71 -6.926 -22.948 -36.129 1.00 0.00 C ATOM 716 C ARG A 71 -6.211 -22.177 -37.256 1.00 0.00 C ATOM 717 O ARG A 71 -5.209 -21.496 -37.013 1.00 0.00 O ATOM 718 CB ARG A 71 -6.643 -24.468 -36.282 1.00 0.00 C ATOM 719 CG ARG A 71 -7.168 -25.354 -35.130 1.00 0.00 C ATOM 720 CD ARG A 71 -6.606 -26.792 -35.179 1.00 0.00 C ATOM 721 NE ARG A 71 -6.685 -27.376 -36.535 1.00 0.00 N ATOM 722 CZ ARG A 71 -6.414 -28.649 -36.850 1.00 0.00 C ATOM 723 NH1 ARG A 71 -6.131 -29.538 -35.907 1.00 0.00 N ATOM 724 NH2 ARG A 71 -6.447 -29.028 -38.114 1.00 0.00 N ATOM 0 H ARG A 71 -8.959 -23.463 -36.320 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.529 -22.613 -35.171 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.088 -24.812 -37.216 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.566 -24.614 -36.370 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.903 -24.897 -34.176 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.256 -25.392 -35.174 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.568 -26.786 -34.848 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.160 -27.421 -34.482 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.970 -26.757 -37.294 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.118 -29.255 -34.927 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.927 -30.504 -36.162 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.678 -28.353 -38.843 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.242 -29.996 -38.362 1.00 0.00 H new ATOM 738 N GLU A 72 -6.744 -22.280 -38.484 1.00 0.00 N ATOM 739 CA GLU A 72 -6.095 -21.702 -39.679 1.00 0.00 C ATOM 740 C GLU A 72 -6.315 -20.183 -39.734 1.00 0.00 C ATOM 741 O GLU A 72 -5.456 -19.441 -40.233 1.00 0.00 O ATOM 742 CB GLU A 72 -6.571 -22.436 -40.971 1.00 0.00 C ATOM 743 CG GLU A 72 -8.076 -22.318 -41.339 1.00 0.00 C ATOM 744 CD GLU A 72 -8.436 -21.060 -42.153 1.00 0.00 C ATOM 745 OE1 GLU A 72 -7.963 -20.928 -43.300 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.177 -20.194 -41.650 1.00 0.00 O ATOM 0 H GLU A 72 -7.624 -22.758 -38.679 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.018 -21.857 -39.612 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.987 -22.057 -41.810 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.330 -23.494 -40.867 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.368 -23.200 -41.908 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.663 -22.322 -40.421 1.00 0.00 H new ATOM 753 N ALA A 73 -7.472 -19.739 -39.213 1.00 0.00 N ATOM 754 CA ALA A 73 -7.811 -18.309 -39.095 1.00 0.00 C ATOM 755 C ALA A 73 -6.914 -17.624 -38.058 1.00 0.00 C ATOM 756 O ALA A 73 -6.432 -16.510 -38.285 1.00 0.00 O ATOM 757 CB ALA A 73 -9.294 -18.123 -38.724 1.00 0.00 C ATOM 0 H ALA A 73 -8.199 -20.362 -38.861 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.640 -17.843 -40.065 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.518 -17.059 -38.643 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.921 -18.568 -39.497 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.494 -18.610 -37.769 1.00 0.00 H new ATOM 763 N ILE A 74 -6.701 -18.306 -36.910 1.00 0.00 N ATOM 764 CA ILE A 74 -5.903 -17.776 -35.784 1.00 0.00 C ATOM 765 C ILE A 74 -4.714 -18.724 -35.508 1.00 0.00 C ATOM 766 O ILE A 74 -4.884 -19.726 -34.794 1.00 0.00 O ATOM 767 CB ILE A 74 -6.766 -17.630 -34.465 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.171 -17.020 -34.769 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.006 -16.802 -33.391 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.113 -16.982 -33.578 1.00 0.00 C ATOM 0 H ILE A 74 -7.078 -19.238 -36.739 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.547 -16.785 -36.066 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.927 -18.629 -34.060 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.039 -16.005 -35.144 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.638 -17.597 -35.567 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.621 -16.717 -32.495 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.069 -17.301 -33.142 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.794 -15.807 -33.782 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.064 -16.543 -33.880 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.280 -17.996 -33.214 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.672 -16.380 -32.784 1.00 0.00 H new ATOM 782 N PRO A 75 -3.502 -18.463 -36.099 1.00 0.00 N ATOM 783 CA PRO A 75 -2.281 -19.248 -35.804 1.00 0.00 C ATOM 784 C PRO A 75 -1.814 -19.013 -34.347 1.00 0.00 C ATOM 785 O PRO A 75 -0.978 -18.144 -34.066 1.00 0.00 O ATOM 786 CB PRO A 75 -1.256 -18.740 -36.856 1.00 0.00 C ATOM 787 CG PRO A 75 -1.723 -17.358 -37.204 1.00 0.00 C ATOM 788 CD PRO A 75 -3.235 -17.405 -37.117 1.00 0.00 C ATOM 0 HA PRO A 75 -2.427 -20.326 -35.874 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.245 -18.726 -36.449 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.237 -19.385 -37.735 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.313 -16.620 -36.514 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.397 -17.074 -38.204 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.648 -16.443 -36.812 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.683 -17.654 -38.079 1.00 0.00 H new ATOM 796 N GLY A 76 -2.435 -19.762 -33.428 1.00 0.00 N ATOM 797 CA GLY A 76 -2.204 -19.620 -31.988 1.00 0.00 C ATOM 798 C GLY A 76 -3.512 -19.460 -31.211 1.00 0.00 C ATOM 799 O GLY A 76 -3.532 -18.824 -30.147 1.00 0.00 O ATOM 0 H GLY A 76 -3.114 -20.486 -33.664 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.668 -20.494 -31.619 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.566 -18.755 -31.807 1.00 0.00 H new ATOM 803 N VAL A 77 -4.614 -20.043 -31.744 1.00 0.00 N ATOM 804 CA VAL A 77 -5.913 -20.060 -31.047 1.00 0.00 C ATOM 805 C VAL A 77 -5.825 -20.977 -29.818 1.00 0.00 C ATOM 806 O VAL A 77 -5.115 -21.988 -29.838 1.00 0.00 O ATOM 807 CB VAL A 77 -7.108 -20.514 -31.982 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.989 -21.985 -32.431 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.476 -20.251 -31.306 1.00 0.00 C ATOM 0 H VAL A 77 -4.624 -20.505 -32.653 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.129 -19.037 -30.739 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.044 -19.905 -32.884 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.835 -22.240 -33.069 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.061 -22.122 -32.986 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.987 -22.634 -31.555 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.278 -20.572 -31.971 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.533 -20.809 -30.372 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.581 -19.186 -31.099 1.00 0.00 H new ATOM 819 N ARG A 78 -6.524 -20.588 -28.748 1.00 0.00 N ATOM 820 CA ARG A 78 -6.573 -21.331 -27.476 1.00 0.00 C ATOM 821 C ARG A 78 -8.025 -21.448 -26.960 1.00 0.00 C ATOM 822 O ARG A 78 -8.278 -22.031 -25.908 1.00 0.00 O ATOM 823 CB ARG A 78 -5.596 -20.704 -26.415 1.00 0.00 C ATOM 824 CG ARG A 78 -5.227 -19.199 -26.587 1.00 0.00 C ATOM 825 CD ARG A 78 -6.447 -18.264 -26.580 1.00 0.00 C ATOM 826 NE ARG A 78 -6.096 -16.838 -26.683 1.00 0.00 N ATOM 827 CZ ARG A 78 -5.744 -16.195 -27.806 1.00 0.00 C ATOM 828 NH1 ARG A 78 -5.496 -16.854 -28.936 1.00 0.00 N ATOM 829 NH2 ARG A 78 -5.594 -14.888 -27.775 1.00 0.00 N ATOM 0 H ARG A 78 -7.082 -19.735 -28.736 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.223 -22.348 -27.655 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.042 -20.832 -25.429 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.672 -21.282 -26.424 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.549 -18.905 -25.785 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.686 -19.071 -27.525 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.103 -18.529 -27.409 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.013 -18.425 -25.662 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.123 -16.290 -25.823 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.572 -17.871 -28.961 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.230 -16.342 -29.777 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.745 -14.378 -26.905 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.327 -14.385 -28.621 1.00 0.00 H new ATOM 843 N LEU A 79 -8.983 -20.927 -27.738 1.00 0.00 N ATOM 844 CA LEU A 79 -10.413 -20.885 -27.356 1.00 0.00 C ATOM 845 C LEU A 79 -11.270 -21.595 -28.411 1.00 0.00 C ATOM 846 O LEU A 79 -11.107 -21.345 -29.609 1.00 0.00 O ATOM 847 CB LEU A 79 -10.853 -19.406 -27.206 1.00 0.00 C ATOM 848 CG LEU A 79 -10.068 -18.587 -26.143 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.395 -17.084 -26.221 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.322 -19.140 -24.737 1.00 0.00 C ATOM 0 H LEU A 79 -8.794 -20.520 -28.654 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.551 -21.402 -26.406 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.748 -18.912 -28.172 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.912 -19.383 -26.950 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.006 -18.693 -26.364 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.826 -16.548 -25.462 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.130 -16.705 -27.208 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.461 -16.934 -26.049 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.763 -18.552 -24.009 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.387 -19.082 -24.510 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.997 -20.179 -24.691 1.00 0.00 H new ATOM 862 N CYS A 80 -12.164 -22.509 -27.959 1.00 0.00 N ATOM 863 CA CYS A 80 -13.106 -23.232 -28.864 1.00 0.00 C ATOM 864 C CYS A 80 -14.121 -22.236 -29.416 1.00 0.00 C ATOM 865 O CYS A 80 -14.311 -21.217 -28.785 1.00 0.00 O ATOM 866 CB CYS A 80 -13.822 -24.379 -28.113 1.00 0.00 C ATOM 867 SG CYS A 80 -15.027 -23.832 -26.855 1.00 0.00 S ATOM 0 H CYS A 80 -12.256 -22.766 -26.976 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.546 -23.678 -29.686 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.337 -25.006 -28.841 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.071 -25.003 -27.629 1.00 0.00 H new ATOM 872 N ILE A 81 -14.809 -22.559 -30.538 1.00 0.00 N ATOM 873 CA ILE A 81 -15.675 -21.592 -31.285 1.00 0.00 C ATOM 874 C ILE A 81 -16.693 -20.867 -30.356 1.00 0.00 C ATOM 875 O ILE A 81 -17.049 -19.709 -30.585 1.00 0.00 O ATOM 876 CB ILE A 81 -16.437 -22.321 -32.467 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.253 -21.303 -33.335 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.343 -23.475 -31.949 1.00 0.00 C ATOM 879 CD1 ILE A 81 -18.039 -21.927 -34.479 1.00 0.00 C ATOM 0 H ILE A 81 -14.785 -23.490 -30.955 1.00 0.00 H new ATOM 0 HA ILE A 81 -15.014 -20.831 -31.700 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.678 -22.770 -33.108 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.946 -20.767 -32.686 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.565 -20.564 -33.746 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.847 -23.948 -32.792 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.731 -24.214 -31.431 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -18.086 -23.073 -31.261 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.571 -21.147 -35.023 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.354 -22.438 -35.155 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.756 -22.644 -34.079 1.00 0.00 H new ATOM 891 N HIS A 82 -17.070 -21.560 -29.271 1.00 0.00 N ATOM 892 CA HIS A 82 -17.983 -21.056 -28.225 1.00 0.00 C ATOM 893 C HIS A 82 -17.279 -19.981 -27.356 1.00 0.00 C ATOM 894 O HIS A 82 -17.736 -18.835 -27.293 1.00 0.00 O ATOM 895 CB HIS A 82 -18.494 -22.250 -27.358 1.00 0.00 C ATOM 896 CG HIS A 82 -18.994 -23.417 -28.170 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.275 -23.504 -28.663 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.349 -24.518 -28.624 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.394 -24.606 -29.379 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.237 -25.235 -29.370 1.00 0.00 N ATOM 0 H HIS A 82 -16.743 -22.509 -29.089 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.843 -20.579 -28.695 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.686 -22.589 -26.710 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.297 -21.899 -26.709 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.319 -24.780 -28.430 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.288 -24.936 -29.886 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.038 -26.116 -29.844 1.00 0.00 H new ATOM 909 N CYS A 83 -16.132 -20.351 -26.729 1.00 0.00 N ATOM 910 CA CYS A 83 -15.328 -19.416 -25.887 1.00 0.00 C ATOM 911 C CYS A 83 -14.587 -18.363 -26.743 1.00 0.00 C ATOM 912 O CYS A 83 -14.066 -17.385 -26.204 1.00 0.00 O ATOM 913 CB CYS A 83 -14.279 -20.162 -25.021 1.00 0.00 C ATOM 914 SG CYS A 83 -14.923 -21.478 -23.953 1.00 0.00 S ATOM 0 H CYS A 83 -15.740 -21.291 -26.789 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.047 -18.920 -25.235 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.530 -20.594 -25.685 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.767 -19.431 -24.395 1.00 0.00 H new ATOM 919 N GLN A 84 -14.466 -18.602 -28.057 1.00 0.00 N ATOM 920 CA GLN A 84 -13.697 -17.732 -28.958 1.00 0.00 C ATOM 921 C GLN A 84 -14.559 -16.557 -29.436 1.00 0.00 C ATOM 922 O GLN A 84 -14.156 -15.405 -29.285 1.00 0.00 O ATOM 923 CB GLN A 84 -13.117 -18.540 -30.166 1.00 0.00 C ATOM 924 CG GLN A 84 -11.750 -18.051 -30.707 1.00 0.00 C ATOM 925 CD GLN A 84 -11.710 -16.563 -31.058 1.00 0.00 C ATOM 926 OE1 GLN A 84 -12.052 -16.174 -32.164 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.296 -15.724 -30.114 1.00 0.00 N ATOM 0 H GLN A 84 -14.897 -19.400 -28.523 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.852 -17.327 -28.401 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.016 -19.583 -29.867 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.841 -18.510 -30.980 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.982 -18.258 -29.962 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.496 -18.629 -31.595 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.017 -16.082 -29.200 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.257 -14.722 -30.303 1.00 0.00 H new ATOM 936 N GLN A 85 -15.740 -16.868 -30.023 1.00 0.00 N ATOM 937 CA GLN A 85 -16.576 -15.854 -30.702 1.00 0.00 C ATOM 938 C GLN A 85 -17.034 -14.741 -29.735 1.00 0.00 C ATOM 939 O GLN A 85 -17.240 -13.606 -30.161 1.00 0.00 O ATOM 940 CB GLN A 85 -17.798 -16.488 -31.415 1.00 0.00 C ATOM 941 CG GLN A 85 -18.862 -17.104 -30.494 1.00 0.00 C ATOM 942 CD GLN A 85 -20.068 -17.635 -31.271 1.00 0.00 C ATOM 943 OE1 GLN A 85 -21.063 -16.935 -31.458 1.00 0.00 O ATOM 944 NE2 GLN A 85 -19.952 -18.850 -31.782 1.00 0.00 N ATOM 0 H GLN A 85 -16.132 -17.810 -30.039 1.00 0.00 H new ATOM 0 HA GLN A 85 -15.943 -15.399 -31.464 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -18.274 -15.723 -32.029 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -17.438 -17.262 -32.093 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -18.416 -17.917 -29.921 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -19.196 -16.354 -29.777 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -19.111 -19.400 -31.604 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -20.703 -19.237 -32.353 1.00 0.00 H new ATOM 953 N GLU A 86 -17.185 -15.088 -28.434 1.00 0.00 N ATOM 954 CA GLU A 86 -17.478 -14.100 -27.369 1.00 0.00 C ATOM 955 C GLU A 86 -16.323 -13.082 -27.256 1.00 0.00 C ATOM 956 O GLU A 86 -16.559 -11.874 -27.278 1.00 0.00 O ATOM 957 CB GLU A 86 -17.751 -14.803 -25.998 1.00 0.00 C ATOM 958 CG GLU A 86 -16.621 -15.731 -25.535 1.00 0.00 C ATOM 959 CD GLU A 86 -16.872 -16.432 -24.188 1.00 0.00 C ATOM 960 OE1 GLU A 86 -17.567 -17.468 -24.166 1.00 0.00 O ATOM 961 OE2 GLU A 86 -16.366 -15.960 -23.152 1.00 0.00 O ATOM 0 H GLU A 86 -17.108 -16.048 -28.097 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.386 -13.562 -27.641 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.915 -14.040 -25.237 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -18.672 -15.380 -26.075 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.458 -16.491 -26.299 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.701 -15.151 -25.461 1.00 0.00 H new ATOM 968 N LYS A 87 -15.064 -13.593 -27.218 1.00 0.00 N ATOM 969 CA LYS A 87 -13.856 -12.763 -27.018 1.00 0.00 C ATOM 970 C LYS A 87 -13.534 -11.942 -28.269 1.00 0.00 C ATOM 971 O LYS A 87 -13.026 -10.822 -28.171 1.00 0.00 O ATOM 972 CB LYS A 87 -12.652 -13.660 -26.638 1.00 0.00 C ATOM 973 CG LYS A 87 -12.845 -14.421 -25.312 1.00 0.00 C ATOM 974 CD LYS A 87 -13.086 -13.471 -24.114 1.00 0.00 C ATOM 975 CE LYS A 87 -13.421 -14.217 -22.818 1.00 0.00 C ATOM 976 NZ LYS A 87 -12.333 -15.126 -22.393 1.00 0.00 N ATOM 0 H LYS A 87 -14.863 -14.587 -27.325 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.053 -12.067 -26.203 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.478 -14.379 -27.438 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.757 -13.042 -26.566 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.691 -15.102 -25.407 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.964 -15.032 -25.116 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.197 -12.861 -23.956 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.901 -12.789 -24.356 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.617 -13.494 -22.026 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.337 -14.791 -22.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.592 -15.582 -21.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.185 -15.854 -23.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.456 -14.582 -22.264 1.00 0.00 H new ATOM 990 N ASP A 88 -13.838 -12.526 -29.436 1.00 0.00 N ATOM 991 CA ASP A 88 -13.672 -11.900 -30.757 1.00 0.00 C ATOM 992 C ASP A 88 -14.439 -10.555 -30.863 1.00 0.00 C ATOM 993 O ASP A 88 -13.996 -9.625 -31.552 1.00 0.00 O ATOM 994 CB ASP A 88 -14.137 -12.892 -31.851 1.00 0.00 C ATOM 995 CG ASP A 88 -13.948 -12.369 -33.288 1.00 0.00 C ATOM 996 OD1 ASP A 88 -12.790 -12.279 -33.753 1.00 0.00 O ATOM 997 OD2 ASP A 88 -14.955 -12.058 -33.964 1.00 0.00 O ATOM 0 H ASP A 88 -14.216 -13.472 -29.490 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.617 -11.668 -30.900 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.586 -13.826 -31.739 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.191 -13.123 -31.694 1.00 0.00 H new ATOM 1002 N LEU A 89 -15.581 -10.463 -30.152 1.00 0.00 N ATOM 1003 CA LEU A 89 -16.400 -9.229 -30.095 1.00 0.00 C ATOM 1004 C LEU A 89 -15.741 -8.174 -29.176 1.00 0.00 C ATOM 1005 O LEU A 89 -15.870 -6.965 -29.396 1.00 0.00 O ATOM 1006 CB LEU A 89 -17.836 -9.544 -29.569 1.00 0.00 C ATOM 1007 CG LEU A 89 -18.561 -10.763 -30.215 1.00 0.00 C ATOM 1008 CD1 LEU A 89 -20.001 -10.932 -29.673 1.00 0.00 C ATOM 1009 CD2 LEU A 89 -18.547 -10.694 -31.761 1.00 0.00 C ATOM 0 H LEU A 89 -15.962 -11.234 -29.604 1.00 0.00 H new ATOM 0 HA LEU A 89 -16.467 -8.830 -31.107 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -17.776 -9.713 -28.494 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -18.456 -8.660 -29.719 1.00 0.00 H new ATOM 0 HG LEU A 89 -17.997 -11.650 -29.925 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -20.470 -11.793 -30.149 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -19.968 -11.087 -28.595 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -20.580 -10.035 -29.893 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -19.063 -11.563 -32.169 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -19.052 -9.785 -32.089 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -17.516 -10.685 -32.115 1.00 0.00 H new ATOM 1021 N GLN A 90 -15.031 -8.663 -28.146 1.00 0.00 N ATOM 1022 CA GLN A 90 -14.498 -7.830 -27.040 1.00 0.00 C ATOM 1023 C GLN A 90 -13.103 -7.264 -27.363 1.00 0.00 C ATOM 1024 O GLN A 90 -12.617 -6.385 -26.640 1.00 0.00 O ATOM 1025 CB GLN A 90 -14.445 -8.661 -25.720 1.00 0.00 C ATOM 1026 CG GLN A 90 -15.687 -9.545 -25.463 1.00 0.00 C ATOM 1027 CD GLN A 90 -17.018 -8.792 -25.460 1.00 0.00 C ATOM 1028 OE1 GLN A 90 -17.101 -7.635 -25.057 1.00 0.00 O ATOM 1029 NE2 GLN A 90 -18.077 -9.456 -25.909 1.00 0.00 N ATOM 0 H GLN A 90 -14.806 -9.653 -28.051 1.00 0.00 H new ATOM 0 HA GLN A 90 -15.174 -6.985 -26.913 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -13.561 -9.298 -25.743 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -14.323 -7.977 -24.880 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -15.727 -10.323 -26.226 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -15.567 -10.046 -24.503 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -17.975 -10.416 -26.237 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -18.992 -9.005 -25.926 1.00 0.00 H new ATOM 1038 N LYS A 91 -12.464 -7.780 -28.437 1.00 0.00 N ATOM 1039 CA LYS A 91 -11.105 -7.364 -28.840 1.00 0.00 C ATOM 1040 C LYS A 91 -11.082 -5.856 -29.190 1.00 0.00 C ATOM 1041 O LYS A 91 -11.774 -5.442 -30.119 1.00 0.00 O ATOM 1042 CB LYS A 91 -10.605 -8.198 -30.049 1.00 0.00 C ATOM 1043 CG LYS A 91 -10.645 -9.722 -29.823 1.00 0.00 C ATOM 1044 CD LYS A 91 -10.130 -10.531 -31.031 1.00 0.00 C ATOM 1045 CE LYS A 91 -8.611 -10.437 -31.210 1.00 0.00 C ATOM 1046 NZ LYS A 91 -8.157 -11.143 -32.431 1.00 0.00 N ATOM 0 H LYS A 91 -12.873 -8.491 -29.043 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.435 -7.542 -27.998 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.213 -7.955 -30.920 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.582 -7.903 -30.282 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.045 -9.968 -28.947 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.669 -10.023 -29.603 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.412 -11.577 -30.908 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.620 -10.173 -31.937 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.315 -9.389 -31.265 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.115 -10.863 -30.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.124 -11.057 -32.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.417 -12.148 -32.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.611 -10.720 -33.266 1.00 0.00 H new ATOM 1060 N PRO A 92 -10.279 -5.012 -28.459 1.00 0.00 N ATOM 1061 CA PRO A 92 -10.228 -3.548 -28.686 1.00 0.00 C ATOM 1062 C PRO A 92 -9.316 -3.139 -29.865 1.00 0.00 C ATOM 1063 O PRO A 92 -9.023 -1.954 -30.018 1.00 0.00 O ATOM 1064 CB PRO A 92 -9.700 -3.034 -27.326 1.00 0.00 C ATOM 1065 CG PRO A 92 -8.767 -4.111 -26.862 1.00 0.00 C ATOM 1066 CD PRO A 92 -9.379 -5.418 -27.334 1.00 0.00 C ATOM 0 HA PRO A 92 -11.191 -3.128 -28.976 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -9.184 -2.080 -27.434 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.513 -2.878 -26.616 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.770 -3.972 -27.280 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.662 -4.097 -25.777 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.614 -6.119 -27.668 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.935 -5.909 -26.536 1.00 0.00 H new ATOM 1074 N ALA A 93 -8.894 -4.139 -30.686 1.00 0.00 N ATOM 1075 CA ALA A 93 -7.990 -3.958 -31.854 1.00 0.00 C ATOM 1076 C ALA A 93 -6.542 -3.621 -31.430 1.00 0.00 C ATOM 1077 O ALA A 93 -5.693 -3.315 -32.278 1.00 0.00 O ATOM 1078 CB ALA A 93 -8.549 -2.922 -32.858 1.00 0.00 C ATOM 0 H ALA A 93 -9.178 -5.109 -30.552 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.950 -4.918 -32.368 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.860 -2.819 -33.696 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.519 -3.258 -33.225 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.663 -1.959 -32.361 1.00 0.00 H new ATOM 1084 N TYR A 94 -6.263 -3.722 -30.114 1.00 0.00 N ATOM 1085 CA TYR A 94 -4.930 -3.456 -29.543 1.00 0.00 C ATOM 1086 C TYR A 94 -4.775 -4.221 -28.216 1.00 0.00 C ATOM 1087 O TYR A 94 -5.721 -4.870 -27.760 1.00 0.00 O ATOM 1088 CB TYR A 94 -4.707 -1.913 -29.358 1.00 0.00 C ATOM 1089 CG TYR A 94 -5.500 -1.239 -28.209 1.00 0.00 C ATOM 1090 CD1 TYR A 94 -4.972 -1.156 -26.915 1.00 0.00 C ATOM 1091 CD2 TYR A 94 -6.761 -0.689 -28.418 1.00 0.00 C ATOM 1092 CE1 TYR A 94 -5.671 -0.574 -25.885 1.00 0.00 C ATOM 1093 CE2 TYR A 94 -7.465 -0.099 -27.381 1.00 0.00 C ATOM 1094 CZ TYR A 94 -6.913 -0.043 -26.119 1.00 0.00 C ATOM 1095 OH TYR A 94 -7.606 0.549 -25.085 1.00 0.00 O ATOM 0 H TYR A 94 -6.958 -3.991 -29.418 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.162 -3.811 -30.231 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.644 -1.738 -29.189 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.967 -1.415 -30.292 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.989 -1.560 -26.721 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.198 -0.723 -29.405 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.243 -0.535 -24.894 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.445 0.317 -27.561 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.469 0.877 -25.415 1.00 0.00 H new ATOM 1105 N THR A 95 -3.576 -4.163 -27.612 1.00 0.00 N ATOM 1106 CA THR A 95 -3.323 -4.713 -26.271 1.00 0.00 C ATOM 1107 C THR A 95 -3.276 -3.576 -25.232 1.00 0.00 C ATOM 1108 O THR A 95 -4.154 -3.484 -24.357 1.00 0.00 O ATOM 1109 CB THR A 95 -1.990 -5.545 -26.238 1.00 0.00 C ATOM 1110 OG1 THR A 95 -0.918 -4.773 -26.807 1.00 0.00 O ATOM 1111 CG2 THR A 95 -2.123 -6.873 -26.997 1.00 0.00 C ATOM 0 H THR A 95 -2.756 -3.734 -28.040 1.00 0.00 H new ATOM 0 HA THR A 95 -4.142 -5.388 -26.021 1.00 0.00 H new ATOM 0 HB THR A 95 -1.773 -5.775 -25.195 1.00 0.00 H new ATOM 0 HG1 THR A 95 -0.089 -5.296 -26.782 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.179 -7.416 -26.949 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.911 -7.474 -26.543 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.374 -6.673 -28.039 1.00 0.00 H new ATOM 1119 N GLY A 96 -2.250 -2.701 -25.361 1.00 0.00 N ATOM 1120 CA GLY A 96 -2.001 -1.617 -24.402 1.00 0.00 C ATOM 1121 C GLY A 96 -1.836 -2.130 -22.976 1.00 0.00 C ATOM 1122 O GLY A 96 -2.199 -1.447 -22.009 1.00 0.00 O ATOM 0 H GLY A 96 -1.580 -2.733 -26.130 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.103 -1.074 -24.696 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.828 -0.908 -24.437 1.00 0.00 H new ATOM 1126 N TYR A 97 -1.282 -3.348 -22.866 1.00 0.00 N ATOM 1127 CA TYR A 97 -1.268 -4.125 -21.629 1.00 0.00 C ATOM 1128 C TYR A 97 -0.148 -3.615 -20.704 1.00 0.00 C ATOM 1129 O TYR A 97 0.991 -4.093 -20.759 1.00 0.00 O ATOM 1130 CB TYR A 97 -1.119 -5.650 -21.948 1.00 0.00 C ATOM 1131 CG TYR A 97 -2.137 -6.529 -21.215 1.00 0.00 C ATOM 1132 CD1 TYR A 97 -1.983 -6.836 -19.866 1.00 0.00 C ATOM 1133 CD2 TYR A 97 -3.276 -7.018 -21.869 1.00 0.00 C ATOM 1134 CE1 TYR A 97 -2.914 -7.609 -19.193 1.00 0.00 C ATOM 1135 CE2 TYR A 97 -4.207 -7.796 -21.201 1.00 0.00 C ATOM 1136 CZ TYR A 97 -4.023 -8.082 -19.864 1.00 0.00 C ATOM 1137 OH TYR A 97 -4.957 -8.848 -19.193 1.00 0.00 O ATOM 0 H TYR A 97 -0.827 -3.821 -23.647 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.215 -3.995 -21.105 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.227 -5.801 -23.022 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.113 -5.973 -21.681 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.120 -6.464 -19.334 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -3.430 -6.784 -22.912 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -2.773 -7.841 -18.148 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.072 -8.177 -21.724 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.677 -9.100 -19.809 1.00 0.00 H new ATOM 1147 N ASN A 98 -0.490 -2.603 -19.897 1.00 0.00 N ATOM 1148 CA ASN A 98 0.435 -1.947 -18.958 1.00 0.00 C ATOM 1149 C ASN A 98 0.611 -2.799 -17.674 1.00 0.00 C ATOM 1150 O ASN A 98 -0.060 -2.582 -16.662 1.00 0.00 O ATOM 1151 CB ASN A 98 -0.036 -0.477 -18.645 1.00 0.00 C ATOM 1152 CG ASN A 98 -1.545 -0.310 -18.384 1.00 0.00 C ATOM 1153 OD1 ASN A 98 -2.235 -1.229 -17.949 1.00 0.00 O ATOM 1154 ND2 ASN A 98 -2.067 0.885 -18.638 1.00 0.00 N ATOM 0 H ASN A 98 -1.431 -2.209 -19.876 1.00 0.00 H new ATOM 0 HA ASN A 98 1.416 -1.873 -19.427 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.509 -0.117 -17.772 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.244 0.163 -19.482 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -3.059 1.054 -18.472 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.476 1.634 -18.999 1.00 0.00 H new ATOM 1161 N ARG A 99 1.469 -3.836 -17.773 1.00 0.00 N ATOM 1162 CA ARG A 99 1.935 -4.635 -16.616 1.00 0.00 C ATOM 1163 C ARG A 99 3.457 -4.491 -16.500 1.00 0.00 C ATOM 1164 O ARG A 99 4.213 -5.198 -17.175 1.00 0.00 O ATOM 1165 CB ARG A 99 1.537 -6.134 -16.745 1.00 0.00 C ATOM 1166 CG ARG A 99 0.020 -6.397 -16.710 1.00 0.00 C ATOM 1167 CD ARG A 99 -0.317 -7.898 -16.657 1.00 0.00 C ATOM 1168 NE ARG A 99 0.207 -8.641 -17.824 1.00 0.00 N ATOM 1169 CZ ARG A 99 -0.158 -9.881 -18.182 1.00 0.00 C ATOM 1170 NH1 ARG A 99 -1.097 -10.540 -17.517 1.00 0.00 N ATOM 1171 NH2 ARG A 99 0.411 -10.458 -19.221 1.00 0.00 N ATOM 0 H ARG A 99 1.861 -4.146 -18.662 1.00 0.00 H new ATOM 0 HA ARG A 99 1.452 -4.258 -15.715 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.939 -6.525 -17.680 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.009 -6.693 -15.937 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.412 -5.900 -15.841 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.443 -5.955 -17.592 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.095 -8.327 -15.743 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.399 -8.022 -16.608 1.00 0.00 H new ATOM 0 HE ARG A 99 0.903 -8.172 -18.404 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.556 -10.105 -16.717 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -1.360 -11.482 -17.805 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.127 -9.962 -19.751 1.00 0.00 H new ATOM 0 HH22 ARG A 99 0.135 -11.401 -19.495 1.00 0.00 H new ATOM 1185 N ARG A 100 3.892 -3.540 -15.669 1.00 0.00 N ATOM 1186 CA ARG A 100 5.318 -3.279 -15.403 1.00 0.00 C ATOM 1187 C ARG A 100 5.750 -4.003 -14.108 1.00 0.00 C ATOM 1188 O ARG A 100 4.899 -4.576 -13.408 1.00 0.00 O ATOM 1189 CB ARG A 100 5.558 -1.748 -15.314 1.00 0.00 C ATOM 1190 CG ARG A 100 4.874 -1.051 -14.122 1.00 0.00 C ATOM 1191 CD ARG A 100 5.029 0.479 -14.164 1.00 0.00 C ATOM 1192 NE ARG A 100 6.443 0.898 -14.282 1.00 0.00 N ATOM 1193 CZ ARG A 100 7.014 1.918 -13.630 1.00 0.00 C ATOM 1194 NH1 ARG A 100 6.343 2.594 -12.704 1.00 0.00 N ATOM 1195 NH2 ARG A 100 8.270 2.241 -13.897 1.00 0.00 N ATOM 0 H ARG A 100 3.263 -2.922 -15.156 1.00 0.00 H new ATOM 0 HA ARG A 100 5.927 -3.668 -16.219 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.631 -1.566 -15.255 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.207 -1.286 -16.237 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.814 -1.305 -14.116 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.298 -1.430 -13.192 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.463 0.876 -15.007 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.599 0.910 -13.260 1.00 0.00 H new ATOM 0 HE ARG A 100 7.035 0.362 -14.916 1.00 0.00 H new ATOM 0 HH11 ARG A 100 5.381 2.338 -12.482 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.790 3.369 -12.214 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.795 1.714 -14.595 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.713 3.017 -13.405 1.00 0.00 H new ATOM 1209 N GLY A 101 7.067 -3.976 -13.813 1.00 0.00 N ATOM 1210 CA GLY A 101 7.656 -4.698 -12.669 1.00 0.00 C ATOM 1211 C GLY A 101 7.238 -4.128 -11.319 1.00 0.00 C ATOM 1212 O GLY A 101 7.998 -3.384 -10.682 1.00 0.00 O ATOM 0 H GLY A 101 7.750 -3.453 -14.362 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.363 -5.747 -12.720 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.743 -4.667 -12.749 1.00 0.00 H new ATOM 1216 N SER A 102 6.020 -4.480 -10.894 1.00 0.00 N ATOM 1217 CA SER A 102 5.422 -4.033 -9.633 1.00 0.00 C ATOM 1218 C SER A 102 5.319 -5.232 -8.670 1.00 0.00 C ATOM 1219 O SER A 102 4.648 -6.226 -8.979 1.00 0.00 O ATOM 1220 CB SER A 102 4.026 -3.416 -9.913 1.00 0.00 C ATOM 1221 OG SER A 102 3.414 -2.937 -8.720 1.00 0.00 O ATOM 0 H SER A 102 5.410 -5.097 -11.430 1.00 0.00 H new ATOM 0 HA SER A 102 6.045 -3.268 -9.169 1.00 0.00 H new ATOM 0 HB2 SER A 102 4.126 -2.597 -10.625 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.383 -4.165 -10.377 1.00 0.00 H new ATOM 0 HG SER A 102 2.840 -3.636 -8.343 1.00 0.00 H new ATOM 1227 N LYS A 103 6.002 -5.135 -7.517 1.00 0.00 N ATOM 1228 CA LYS A 103 5.990 -6.177 -6.473 1.00 0.00 C ATOM 1229 C LYS A 103 4.586 -6.209 -5.836 1.00 0.00 C ATOM 1230 O LYS A 103 3.988 -7.282 -5.664 1.00 0.00 O ATOM 1231 CB LYS A 103 7.105 -5.867 -5.410 1.00 0.00 C ATOM 1232 CG LYS A 103 7.578 -7.055 -4.505 1.00 0.00 C ATOM 1233 CD LYS A 103 6.516 -7.591 -3.506 1.00 0.00 C ATOM 1234 CE LYS A 103 5.980 -6.516 -2.541 1.00 0.00 C ATOM 1235 NZ LYS A 103 4.838 -7.013 -1.738 1.00 0.00 N ATOM 0 H LYS A 103 6.581 -4.329 -7.281 1.00 0.00 H new ATOM 0 HA LYS A 103 6.204 -7.158 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.975 -5.476 -5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.741 -5.071 -4.760 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.895 -7.876 -5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.454 -6.734 -3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 103 5.682 -8.013 -4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 103 6.953 -8.404 -2.925 1.00 0.00 H new ATOM 0 HE2 LYS A 103 6.780 -6.196 -1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 103 5.669 -5.640 -3.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 4.507 -6.260 -1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 4.064 -7.295 -2.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 5.140 -7.833 -1.175 1.00 0.00 H new ATOM 1249 N ASP A 104 4.088 -5.005 -5.490 1.00 0.00 N ATOM 1250 CA ASP A 104 2.770 -4.823 -4.859 1.00 0.00 C ATOM 1251 C ASP A 104 1.639 -5.126 -5.860 1.00 0.00 C ATOM 1252 O ASP A 104 1.467 -4.407 -6.850 1.00 0.00 O ATOM 1253 CB ASP A 104 2.637 -3.384 -4.282 1.00 0.00 C ATOM 1254 CG ASP A 104 1.268 -3.106 -3.619 1.00 0.00 C ATOM 1255 OD1 ASP A 104 1.014 -3.624 -2.506 1.00 0.00 O ATOM 1256 OD2 ASP A 104 0.452 -2.346 -4.194 1.00 0.00 O ATOM 0 H ASP A 104 4.591 -4.131 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 104 2.682 -5.529 -4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 104 3.426 -3.222 -3.548 1.00 0.00 H new ATOM 0 HB3 ASP A 104 2.795 -2.664 -5.085 1.00 0.00 H new ATOM 1261 N SER A 105 0.897 -6.218 -5.591 1.00 0.00 N ATOM 1262 CA SER A 105 -0.235 -6.661 -6.414 1.00 0.00 C ATOM 1263 C SER A 105 -1.278 -7.375 -5.523 1.00 0.00 C ATOM 1264 O SER A 105 -1.180 -8.583 -5.255 1.00 0.00 O ATOM 1265 CB SER A 105 0.272 -7.566 -7.568 1.00 0.00 C ATOM 1266 OG SER A 105 1.084 -8.631 -7.090 1.00 0.00 O ATOM 0 H SER A 105 1.072 -6.821 -4.787 1.00 0.00 H new ATOM 0 HA SER A 105 -0.725 -5.800 -6.869 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.581 -7.975 -8.110 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.842 -6.965 -8.277 1.00 0.00 H new ATOM 0 HG SER A 105 0.657 -9.044 -6.311 1.00 0.00 H new ATOM 1272 N GLN A 106 -2.238 -6.590 -5.007 1.00 0.00 N ATOM 1273 CA GLN A 106 -3.319 -7.090 -4.139 1.00 0.00 C ATOM 1274 C GLN A 106 -4.680 -6.820 -4.802 1.00 0.00 C ATOM 1275 O GLN A 106 -5.098 -5.666 -4.910 1.00 0.00 O ATOM 1276 CB GLN A 106 -3.244 -6.408 -2.744 1.00 0.00 C ATOM 1277 CG GLN A 106 -1.944 -6.685 -1.951 1.00 0.00 C ATOM 1278 CD GLN A 106 -1.834 -5.900 -0.631 1.00 0.00 C ATOM 1279 OE1 GLN A 106 -2.306 -4.662 -0.618 1.00 0.00 O flip ATOM 1280 NE2 GLN A 106 -1.274 -6.388 0.352 1.00 0.00 N flip ATOM 0 H GLN A 106 -2.287 -5.586 -5.181 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.203 -8.165 -4.001 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.349 -5.331 -2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.094 -6.740 -2.147 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.884 -7.751 -1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.088 -6.439 -2.580 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -0.920 -7.344 0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -1.165 -5.836 1.203 1.00 0.00 H new ATOM 1289 N LEU A 107 -5.359 -7.885 -5.273 1.00 0.00 N ATOM 1290 CA LEU A 107 -6.696 -7.765 -5.885 1.00 0.00 C ATOM 1291 C LEU A 107 -7.764 -7.613 -4.768 1.00 0.00 C ATOM 1292 O LEU A 107 -8.123 -8.576 -4.082 1.00 0.00 O ATOM 1293 CB LEU A 107 -7.010 -8.952 -6.872 1.00 0.00 C ATOM 1294 CG LEU A 107 -7.254 -10.395 -6.293 1.00 0.00 C ATOM 1295 CD1 LEU A 107 -7.749 -11.352 -7.396 1.00 0.00 C ATOM 1296 CD2 LEU A 107 -6.009 -10.977 -5.582 1.00 0.00 C ATOM 0 H LEU A 107 -5.002 -8.840 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.719 -6.868 -6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.895 -8.676 -7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.182 -9.018 -7.577 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.031 -10.298 -5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.911 -12.343 -6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.685 -10.977 -7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.002 -11.413 -8.187 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -6.238 -11.973 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.182 -11.039 -6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.728 -10.329 -4.751 1.00 0.00 H new ATOM 1308 N ARG A 108 -8.203 -6.363 -4.548 1.00 0.00 N ATOM 1309 CA ARG A 108 -9.171 -6.011 -3.491 1.00 0.00 C ATOM 1310 C ARG A 108 -10.040 -4.807 -3.950 1.00 0.00 C ATOM 1311 O ARG A 108 -9.762 -3.649 -3.566 1.00 0.00 O ATOM 1312 CB ARG A 108 -8.425 -5.761 -2.132 1.00 0.00 C ATOM 1313 CG ARG A 108 -7.155 -4.880 -2.217 1.00 0.00 C ATOM 1314 CD ARG A 108 -6.592 -4.523 -0.830 1.00 0.00 C ATOM 1315 NE ARG A 108 -7.595 -3.783 -0.029 1.00 0.00 N ATOM 1316 CZ ARG A 108 -7.345 -2.778 0.825 1.00 0.00 C ATOM 1317 NH1 ARG A 108 -6.109 -2.364 1.055 1.00 0.00 N ATOM 1318 NH2 ARG A 108 -8.346 -2.194 1.455 1.00 0.00 N ATOM 1319 OXT ARG A 108 -10.985 -5.024 -4.730 1.00 0.00 O ATOM 0 H ARG A 108 -7.896 -5.562 -5.100 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.854 -6.842 -3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.122 -5.295 -1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -8.148 -6.726 -1.708 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.391 -5.404 -2.792 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.388 -3.963 -2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.301 -5.433 -0.306 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.692 -3.918 -0.943 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.569 -4.064 -0.137 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.325 -2.810 0.579 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -5.941 -1.599 1.708 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.303 -2.507 1.292 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.163 -1.430 2.105 1.00 0.00 H new TER 1333 ARG A 108 HETATM 1334 ZN ZN A 109 -14.258 -23.588 -24.647 1.00 0.00 ZN