USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 597 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 23 GLN : amide:sc= 1.76 K(o=2.1,f=-1.2) USER MOD Set 1.2: A 51 MET CE :methyl -127:sc=-0.00145 (180deg=0) USER MOD Set 1.3: A 55 GLN : amide:sc= 0.299 K(o=2.1,f=-1.2) USER MOD Set 2.1: A 34 SER OG : rot -56:sc= 1.01 USER MOD Set 2.2: A 37 GLN : amide:sc= -0.228 K(o=0.78,f=-5.1!) USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0.0776 USER MOD Set 3.2: A 29 SER OG : rot -75:sc= 0.174 USER MOD Set 4.1: A 3 MET CE :methyl 131:sc= -0.311 (180deg=-0.128) USER MOD Set 4.2: A 5 HIS : no HE2:sc= -0.494 K(o=-0.81,f=-1.9) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 1.3 (180deg=0.507) USER MOD Single : A 2 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.565! C(o=-0.57!,f=-4.7!) USER MOD Single : A 11 GLN : amide:sc= -0.605 K(o=-0.61,f=-0.1) USER MOD Single : A 14 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-0.7) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 66:sc= 0.767 USER MOD Single : A 26 SER OG : rot 180:sc= 0.00524 USER MOD Single : A 31 GLN : amide:sc= 0.152 K(o=0.15,f=-0.68) USER MOD Single : A 32 ASN : amide:sc= -2.3! K(o=-2.3!,f=-0.088) USER MOD Single : A 40 GLN : amide:sc= -3.2! C(o=-3.2!,f=-1.6!) USER MOD Single : A 44 ASN : amide:sc= -0.0227 K(o=-0.023,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ 174:sc=-0.000699 (180deg=-0.0391) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 11:sc= 0.839 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0781 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 147:sc= -1.53! (180deg=-3.48!) USER MOD Single : A 63 LYS NZ :NH3+ -129:sc= -0.368 (180deg=-2.62!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -178:sc= -2.54 (180deg=-2.6) USER MOD Single : A 68 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.062) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -174:sc= 1.21 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.015 -3.932 -0.798 1.00 0.00 N ATOM 2 CA GLY A 1 18.046 -2.632 -0.161 1.00 0.00 C ATOM 3 C GLY A 1 16.840 -2.413 0.706 1.00 0.00 C ATOM 4 O GLY A 1 16.502 -3.274 1.522 1.00 0.00 O ATOM 0 H1 GLY A 1 18.955 -4.372 -0.735 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.317 -4.537 -0.319 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.750 -3.823 -1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.950 -2.543 0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.093 -1.854 -0.923 1.00 0.00 H new ATOM 10 N HIS A 2 16.181 -1.290 0.546 1.00 0.00 N ATOM 11 CA HIS A 2 15.041 -0.961 1.382 1.00 0.00 C ATOM 12 C HIS A 2 13.899 -0.355 0.559 1.00 0.00 C ATOM 13 O HIS A 2 12.928 0.162 1.121 1.00 0.00 O ATOM 14 CB HIS A 2 15.465 0.018 2.502 1.00 0.00 C ATOM 15 CG HIS A 2 15.892 1.385 2.019 1.00 0.00 C ATOM 16 ND1 HIS A 2 15.230 2.543 2.339 1.00 0.00 N ATOM 17 CD2 HIS A 2 16.932 1.757 1.232 1.00 0.00 C ATOM 18 CE1 HIS A 2 15.854 3.556 1.754 1.00 0.00 C ATOM 19 NE2 HIS A 2 16.904 3.136 1.067 1.00 0.00 N ATOM 0 H HIS A 2 16.411 -0.585 -0.155 1.00 0.00 H new ATOM 0 HA HIS A 2 14.678 -1.886 1.831 1.00 0.00 H new ATOM 0 HB2 HIS A 2 14.633 0.137 3.196 1.00 0.00 H new ATOM 0 HB3 HIS A 2 16.287 -0.427 3.063 1.00 0.00 H new ATOM 0 HD2 HIS A 2 17.664 1.089 0.803 1.00 0.00 H new ATOM 0 HE1 HIS A 2 15.546 4.588 1.828 1.00 0.00 H new ATOM 0 HE2 HIS A 2 17.557 3.706 0.529 1.00 0.00 H new ATOM 27 N MET A 3 14.003 -0.425 -0.754 1.00 0.00 N ATOM 28 CA MET A 3 12.985 0.147 -1.598 1.00 0.00 C ATOM 29 C MET A 3 11.761 -0.754 -1.664 1.00 0.00 C ATOM 30 O MET A 3 11.848 -1.945 -1.412 1.00 0.00 O ATOM 31 CB MET A 3 13.510 0.511 -2.986 1.00 0.00 C ATOM 32 CG MET A 3 14.462 1.705 -2.984 1.00 0.00 C ATOM 33 SD MET A 3 15.066 2.167 -4.628 1.00 0.00 S ATOM 34 CE MET A 3 16.114 0.763 -5.034 1.00 0.00 C ATOM 0 H MET A 3 14.776 -0.869 -1.251 1.00 0.00 H new ATOM 0 HA MET A 3 12.678 1.087 -1.140 1.00 0.00 H new ATOM 0 HB2 MET A 3 14.024 -0.352 -3.409 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.665 0.731 -3.639 1.00 0.00 H new ATOM 0 HG2 MET A 3 13.954 2.561 -2.541 1.00 0.00 H new ATOM 0 HG3 MET A 3 15.315 1.475 -2.346 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.869 0.403 -6.033 1.00 0.00 H new ATOM 0 HE2 MET A 3 17.160 1.069 -5.005 1.00 0.00 H new ATOM 0 HE3 MET A 3 15.949 -0.035 -4.310 1.00 0.00 H new ATOM 44 N VAL A 4 10.638 -0.189 -2.065 1.00 0.00 N ATOM 45 CA VAL A 4 9.339 -0.874 -1.975 1.00 0.00 C ATOM 46 C VAL A 4 9.241 -2.089 -2.866 1.00 0.00 C ATOM 47 O VAL A 4 8.612 -3.064 -2.521 1.00 0.00 O ATOM 48 CB VAL A 4 8.156 0.075 -2.259 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.224 1.244 -1.354 1.00 0.00 C ATOM 50 CG2 VAL A 4 8.122 0.535 -3.690 1.00 0.00 C ATOM 0 H VAL A 4 10.588 0.750 -2.461 1.00 0.00 H new ATOM 0 HA VAL A 4 9.276 -1.215 -0.942 1.00 0.00 H new ATOM 0 HB VAL A 4 7.238 -0.484 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.387 1.911 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.175 0.906 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.161 1.777 -1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.271 1.200 -3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.044 1.067 -3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.026 -0.329 -4.348 1.00 0.00 H new ATOM 60 N HIS A 5 9.894 -2.041 -3.987 1.00 0.00 N ATOM 61 CA HIS A 5 9.853 -3.134 -4.934 1.00 0.00 C ATOM 62 C HIS A 5 10.683 -4.329 -4.425 1.00 0.00 C ATOM 63 O HIS A 5 10.585 -5.446 -4.936 1.00 0.00 O ATOM 64 CB HIS A 5 10.296 -2.652 -6.330 1.00 0.00 C ATOM 65 CG HIS A 5 11.536 -1.825 -6.326 1.00 0.00 C ATOM 66 ND1 HIS A 5 11.521 -0.448 -6.308 1.00 0.00 N ATOM 67 CD2 HIS A 5 12.832 -2.186 -6.282 1.00 0.00 C ATOM 68 CE1 HIS A 5 12.766 -0.024 -6.238 1.00 0.00 C ATOM 69 NE2 HIS A 5 13.614 -1.042 -6.226 1.00 0.00 N ATOM 0 H HIS A 5 10.470 -1.251 -4.278 1.00 0.00 H new ATOM 0 HA HIS A 5 8.826 -3.486 -5.029 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.454 -3.521 -6.969 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.488 -2.072 -6.775 1.00 0.00 H new ATOM 0 HD1 HIS A 5 10.689 0.142 -6.343 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.202 -3.201 -6.289 1.00 0.00 H new ATOM 0 HE1 HIS A 5 13.057 1.015 -6.196 1.00 0.00 H new ATOM 77 N GLU A 6 11.459 -4.077 -3.376 1.00 0.00 N ATOM 78 CA GLU A 6 12.289 -5.084 -2.749 1.00 0.00 C ATOM 79 C GLU A 6 11.540 -5.681 -1.562 1.00 0.00 C ATOM 80 O GLU A 6 12.062 -6.535 -0.834 1.00 0.00 O ATOM 81 CB GLU A 6 13.594 -4.462 -2.274 1.00 0.00 C ATOM 82 CG GLU A 6 14.308 -3.664 -3.354 1.00 0.00 C ATOM 83 CD GLU A 6 15.604 -3.085 -2.887 1.00 0.00 C ATOM 84 OE1 GLU A 6 15.620 -1.983 -2.325 1.00 0.00 O ATOM 85 OE2 GLU A 6 16.651 -3.729 -3.073 1.00 0.00 O ATOM 0 H GLU A 6 11.526 -3.158 -2.938 1.00 0.00 H new ATOM 0 HA GLU A 6 12.516 -5.868 -3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.390 -3.810 -1.425 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.256 -5.251 -1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.492 -4.309 -4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.657 -2.858 -3.694 1.00 0.00 H new ATOM 92 N TRP A 7 10.323 -5.208 -1.364 1.00 0.00 N ATOM 93 CA TRP A 7 9.464 -5.711 -0.329 1.00 0.00 C ATOM 94 C TRP A 7 8.739 -6.905 -0.854 1.00 0.00 C ATOM 95 O TRP A 7 8.320 -6.917 -2.002 1.00 0.00 O ATOM 96 CB TRP A 7 8.454 -4.660 0.128 1.00 0.00 C ATOM 97 CG TRP A 7 9.067 -3.459 0.782 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.353 -3.315 1.215 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.402 -2.248 1.108 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.529 -2.078 1.755 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.349 -1.404 1.709 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.099 -1.790 0.942 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.036 -0.134 2.143 1.00 0.00 C ATOM 104 CZ3 TRP A 7 6.786 -0.524 1.377 1.00 0.00 C ATOM 105 CH2 TRP A 7 7.751 0.293 1.972 1.00 0.00 C ATOM 0 H TRP A 7 9.909 -4.462 -1.923 1.00 0.00 H new ATOM 0 HA TRP A 7 10.076 -5.976 0.533 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.873 -4.333 -0.734 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.756 -5.123 0.826 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.119 -4.072 1.140 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.404 -1.715 2.133 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.349 -2.416 0.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.780 0.500 2.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.778 -0.155 1.257 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.474 1.283 2.303 1.00 0.00 H new ATOM 116 N SER A 8 8.601 -7.891 -0.030 1.00 0.00 N ATOM 117 CA SER A 8 7.985 -9.106 -0.428 1.00 0.00 C ATOM 118 C SER A 8 6.498 -9.095 -0.084 1.00 0.00 C ATOM 119 O SER A 8 5.670 -8.841 -0.922 1.00 0.00 O ATOM 120 CB SER A 8 8.698 -10.252 0.268 1.00 0.00 C ATOM 121 OG SER A 8 10.098 -10.073 0.176 1.00 0.00 O ATOM 0 H SER A 8 8.914 -7.873 0.940 1.00 0.00 H new ATOM 0 HA SER A 8 8.064 -9.228 -1.508 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.396 -10.298 1.314 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.413 -11.200 -0.188 1.00 0.00 H new ATOM 0 HG SER A 8 10.553 -10.814 0.628 1.00 0.00 H new ATOM 127 N VAL A 9 6.183 -9.312 1.174 1.00 0.00 N ATOM 128 CA VAL A 9 4.795 -9.401 1.604 1.00 0.00 C ATOM 129 C VAL A 9 4.635 -8.729 2.953 1.00 0.00 C ATOM 130 O VAL A 9 3.836 -7.834 3.126 1.00 0.00 O ATOM 131 CB VAL A 9 4.342 -10.904 1.702 1.00 0.00 C ATOM 132 CG1 VAL A 9 3.003 -11.037 2.375 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.291 -11.570 0.330 1.00 0.00 C ATOM 0 H VAL A 9 6.866 -9.431 1.922 1.00 0.00 H new ATOM 0 HA VAL A 9 4.168 -8.896 0.869 1.00 0.00 H new ATOM 0 HB VAL A 9 5.092 -11.412 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.724 -12.089 2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.061 -10.629 3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.253 -10.489 1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.974 -12.607 0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.582 -11.040 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.281 -11.540 -0.126 1.00 0.00 H new ATOM 143 N GLN A 10 5.429 -9.152 3.886 1.00 0.00 N ATOM 144 CA GLN A 10 5.386 -8.632 5.238 1.00 0.00 C ATOM 145 C GLN A 10 6.063 -7.260 5.338 1.00 0.00 C ATOM 146 O GLN A 10 5.885 -6.533 6.307 1.00 0.00 O ATOM 147 CB GLN A 10 6.019 -9.639 6.220 1.00 0.00 C ATOM 148 CG GLN A 10 7.546 -9.840 6.120 1.00 0.00 C ATOM 149 CD GLN A 10 8.064 -10.305 4.757 1.00 0.00 C ATOM 150 OE1 GLN A 10 7.380 -10.988 4.001 1.00 0.00 O ATOM 151 NE2 GLN A 10 9.254 -9.920 4.434 1.00 0.00 N ATOM 0 H GLN A 10 6.135 -9.874 3.741 1.00 0.00 H new ATOM 0 HA GLN A 10 4.340 -8.493 5.512 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.784 -9.318 7.235 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.538 -10.606 6.072 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.036 -8.900 6.373 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.848 -10.569 6.872 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.800 -9.353 5.082 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.648 -10.183 3.531 1.00 0.00 H new ATOM 160 N GLN A 11 6.827 -6.907 4.313 1.00 0.00 N ATOM 161 CA GLN A 11 7.505 -5.622 4.297 1.00 0.00 C ATOM 162 C GLN A 11 6.574 -4.509 3.796 1.00 0.00 C ATOM 163 O GLN A 11 6.794 -3.338 4.075 1.00 0.00 O ATOM 164 CB GLN A 11 8.799 -5.649 3.465 1.00 0.00 C ATOM 165 CG GLN A 11 9.929 -6.524 4.003 1.00 0.00 C ATOM 166 CD GLN A 11 11.272 -6.216 3.325 1.00 0.00 C ATOM 167 OE1 GLN A 11 12.029 -5.367 3.787 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.587 -6.896 2.245 1.00 0.00 N ATOM 0 H GLN A 11 6.991 -7.487 3.490 1.00 0.00 H new ATOM 0 HA GLN A 11 7.785 -5.409 5.329 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.552 -5.988 2.459 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.170 -4.628 3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.023 -6.373 5.078 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.678 -7.574 3.850 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.943 -7.597 1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.475 -6.723 1.774 1.00 0.00 H new ATOM 177 N VAL A 12 5.507 -4.893 3.099 1.00 0.00 N ATOM 178 CA VAL A 12 4.566 -3.925 2.520 1.00 0.00 C ATOM 179 C VAL A 12 3.723 -3.292 3.644 1.00 0.00 C ATOM 180 O VAL A 12 3.255 -2.146 3.546 1.00 0.00 O ATOM 181 CB VAL A 12 3.627 -4.625 1.465 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.424 -5.325 2.088 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.208 -3.668 0.377 1.00 0.00 C ATOM 0 H VAL A 12 5.268 -5.868 2.919 1.00 0.00 H new ATOM 0 HA VAL A 12 5.131 -3.146 2.009 1.00 0.00 H new ATOM 0 HB VAL A 12 4.227 -5.414 1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.823 -5.784 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.768 -6.095 2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.819 -4.597 2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.562 -4.184 -0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.667 -2.830 0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.092 -3.297 -0.141 1.00 0.00 H new ATOM 193 N SER A 13 3.593 -4.034 4.731 1.00 0.00 N ATOM 194 CA SER A 13 2.776 -3.663 5.840 1.00 0.00 C ATOM 195 C SER A 13 3.384 -2.494 6.614 1.00 0.00 C ATOM 196 O SER A 13 2.647 -1.669 7.162 1.00 0.00 O ATOM 197 CB SER A 13 2.612 -4.882 6.724 1.00 0.00 C ATOM 198 OG SER A 13 2.731 -6.066 5.914 1.00 0.00 O ATOM 0 H SER A 13 4.069 -4.928 4.855 1.00 0.00 H new ATOM 0 HA SER A 13 1.802 -3.324 5.487 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.370 -4.884 7.508 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.641 -4.860 7.219 1.00 0.00 H new ATOM 0 HG SER A 13 2.628 -6.860 6.479 1.00 0.00 H new ATOM 204 N HIS A 14 4.730 -2.388 6.593 1.00 0.00 N ATOM 205 CA HIS A 14 5.443 -1.318 7.320 1.00 0.00 C ATOM 206 C HIS A 14 4.994 0.033 6.811 1.00 0.00 C ATOM 207 O HIS A 14 4.854 0.992 7.572 1.00 0.00 O ATOM 208 CB HIS A 14 6.980 -1.420 7.167 1.00 0.00 C ATOM 209 CG HIS A 14 7.599 -2.723 7.595 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.416 -3.306 8.827 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.411 -3.563 6.908 1.00 0.00 C ATOM 212 CE1 HIS A 14 8.101 -4.450 8.851 1.00 0.00 C ATOM 213 NE2 HIS A 14 8.727 -4.654 7.706 1.00 0.00 N ATOM 0 H HIS A 14 5.341 -3.027 6.084 1.00 0.00 H new ATOM 0 HA HIS A 14 5.200 -1.436 8.376 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.234 -1.246 6.121 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.437 -0.616 7.744 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.758 -3.408 5.897 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.139 -5.122 9.696 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.319 -5.447 7.460 1.00 0.00 H new ATOM 221 N TRP A 15 4.758 0.092 5.521 1.00 0.00 N ATOM 222 CA TRP A 15 4.275 1.280 4.888 1.00 0.00 C ATOM 223 C TRP A 15 2.860 1.569 5.335 1.00 0.00 C ATOM 224 O TRP A 15 2.620 2.592 5.953 1.00 0.00 O ATOM 225 CB TRP A 15 4.370 1.145 3.364 1.00 0.00 C ATOM 226 CG TRP A 15 3.598 2.172 2.594 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.851 3.506 2.503 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.436 1.926 1.800 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.912 4.098 1.695 1.00 0.00 N ATOM 230 CE2 TRP A 15 2.036 3.146 1.251 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.704 0.785 1.499 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.927 3.258 0.421 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.610 0.904 0.674 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.237 2.123 0.152 1.00 0.00 C ATOM 0 H TRP A 15 4.899 -0.692 4.884 1.00 0.00 H new ATOM 0 HA TRP A 15 4.897 2.124 5.185 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.419 1.205 3.073 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.016 0.155 3.078 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.666 4.020 2.991 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.874 5.090 1.463 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.988 -0.175 1.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.628 4.210 0.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 0.032 0.025 0.431 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.630 2.176 -0.490 1.00 0.00 H new ATOM 245 N LEU A 16 1.959 0.624 5.075 1.00 0.00 N ATOM 246 CA LEU A 16 0.525 0.742 5.388 1.00 0.00 C ATOM 247 C LEU A 16 0.285 1.218 6.807 1.00 0.00 C ATOM 248 O LEU A 16 -0.423 2.196 7.023 1.00 0.00 O ATOM 249 CB LEU A 16 -0.142 -0.599 5.196 1.00 0.00 C ATOM 250 CG LEU A 16 -0.250 -1.112 3.758 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.507 -2.588 3.747 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.386 -0.418 3.034 1.00 0.00 C ATOM 0 H LEU A 16 2.203 -0.263 4.634 1.00 0.00 H new ATOM 0 HA LEU A 16 0.101 1.484 4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.405 -1.338 5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.147 -0.542 5.614 1.00 0.00 H new ATOM 0 HG LEU A 16 0.693 -0.899 3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.581 -2.937 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.313 -3.104 4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.440 -2.799 4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.450 -0.794 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.324 -0.617 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.203 0.656 3.015 1.00 0.00 H new ATOM 264 N VAL A 17 0.917 0.563 7.758 1.00 0.00 N ATOM 265 CA VAL A 17 0.761 0.889 9.174 1.00 0.00 C ATOM 266 C VAL A 17 1.203 2.345 9.469 1.00 0.00 C ATOM 267 O VAL A 17 0.669 2.995 10.373 1.00 0.00 O ATOM 268 CB VAL A 17 1.557 -0.120 10.053 1.00 0.00 C ATOM 269 CG1 VAL A 17 1.521 0.240 11.535 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.037 -1.537 9.857 1.00 0.00 C ATOM 0 H VAL A 17 1.555 -0.212 7.579 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.297 0.809 9.425 1.00 0.00 H new ATOM 0 HB VAL A 17 2.595 -0.064 9.724 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.091 -0.496 12.102 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.958 1.228 11.680 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.488 0.245 11.883 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.609 -2.224 10.481 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.015 -1.581 10.139 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.145 -1.823 8.811 1.00 0.00 H new ATOM 280 N GLY A 18 2.075 2.879 8.624 1.00 0.00 N ATOM 281 CA GLY A 18 2.603 4.204 8.827 1.00 0.00 C ATOM 282 C GLY A 18 1.577 5.260 8.507 1.00 0.00 C ATOM 283 O GLY A 18 1.458 6.264 9.217 1.00 0.00 O ATOM 0 H GLY A 18 2.427 2.406 7.792 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.929 4.313 9.861 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.482 4.347 8.199 1.00 0.00 H new ATOM 287 N LEU A 19 0.789 5.015 7.477 1.00 0.00 N ATOM 288 CA LEU A 19 -0.236 5.968 7.076 1.00 0.00 C ATOM 289 C LEU A 19 -1.605 5.561 7.640 1.00 0.00 C ATOM 290 O LEU A 19 -2.627 6.023 7.168 1.00 0.00 O ATOM 291 CB LEU A 19 -0.323 6.169 5.522 1.00 0.00 C ATOM 292 CG LEU A 19 -0.524 4.930 4.658 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.180 5.297 3.365 1.00 0.00 C ATOM 294 CD2 LEU A 19 0.781 4.281 4.343 1.00 0.00 C ATOM 0 H LEU A 19 0.836 4.172 6.905 1.00 0.00 H new ATOM 0 HA LEU A 19 0.059 6.929 7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.144 6.857 5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.593 6.661 5.196 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.153 4.240 5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.317 4.401 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.150 5.751 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.552 6.007 2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.609 3.399 3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.416 4.984 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.273 3.985 5.269 1.00 0.00 H new ATOM 306 N SER A 20 -1.601 4.688 8.667 1.00 0.00 N ATOM 307 CA SER A 20 -2.836 4.210 9.336 1.00 0.00 C ATOM 308 C SER A 20 -3.670 3.329 8.407 1.00 0.00 C ATOM 309 O SER A 20 -4.844 3.105 8.612 1.00 0.00 O ATOM 310 CB SER A 20 -3.647 5.396 9.885 1.00 0.00 C ATOM 311 OG SER A 20 -2.839 6.209 10.742 1.00 0.00 O ATOM 0 H SER A 20 -0.746 4.293 9.058 1.00 0.00 H new ATOM 0 HA SER A 20 -2.546 3.587 10.182 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.027 5.996 9.059 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.512 5.027 10.436 1.00 0.00 H new ATOM 0 HG SER A 20 -3.372 6.959 11.080 1.00 0.00 H new ATOM 317 N LEU A 21 -3.005 2.762 7.446 1.00 0.00 N ATOM 318 CA LEU A 21 -3.589 1.870 6.463 1.00 0.00 C ATOM 319 C LEU A 21 -3.301 0.431 6.849 1.00 0.00 C ATOM 320 O LEU A 21 -3.385 -0.472 6.024 1.00 0.00 O ATOM 321 CB LEU A 21 -3.012 2.174 5.082 1.00 0.00 C ATOM 322 CG LEU A 21 -3.733 3.192 4.172 1.00 0.00 C ATOM 323 CD1 LEU A 21 -4.853 2.528 3.435 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.282 4.376 4.951 1.00 0.00 C ATOM 0 H LEU A 21 -2.004 2.907 7.311 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.668 2.019 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.990 2.527 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.952 1.232 4.537 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.990 3.567 3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.352 3.258 2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.456 1.721 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.568 2.121 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.780 5.063 4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.997 4.023 5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.464 4.893 5.452 1.00 0.00 H new ATOM 336 N ASP A 22 -2.982 0.227 8.129 1.00 0.00 N ATOM 337 CA ASP A 22 -2.776 -1.107 8.738 1.00 0.00 C ATOM 338 C ASP A 22 -3.983 -2.008 8.468 1.00 0.00 C ATOM 339 O ASP A 22 -3.867 -3.222 8.372 1.00 0.00 O ATOM 340 CB ASP A 22 -2.588 -0.968 10.258 1.00 0.00 C ATOM 341 CG ASP A 22 -3.828 -0.448 10.963 1.00 0.00 C ATOM 342 OD1 ASP A 22 -4.192 0.720 10.758 1.00 0.00 O ATOM 343 OD2 ASP A 22 -4.486 -1.219 11.687 1.00 0.00 O ATOM 0 H ASP A 22 -2.855 0.993 8.791 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.885 -1.552 8.295 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.319 -1.938 10.676 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.755 -0.294 10.456 1.00 0.00 H new ATOM 348 N GLN A 23 -5.113 -1.365 8.294 1.00 0.00 N ATOM 349 CA GLN A 23 -6.393 -1.980 7.988 1.00 0.00 C ATOM 350 C GLN A 23 -6.346 -2.739 6.642 1.00 0.00 C ATOM 351 O GLN A 23 -7.156 -3.639 6.386 1.00 0.00 O ATOM 352 CB GLN A 23 -7.449 -0.864 7.951 1.00 0.00 C ATOM 353 CG GLN A 23 -7.220 0.138 6.804 1.00 0.00 C ATOM 354 CD GLN A 23 -7.901 1.474 6.992 1.00 0.00 C ATOM 355 OE1 GLN A 23 -9.057 1.657 6.631 1.00 0.00 O ATOM 356 NE2 GLN A 23 -7.162 2.438 7.487 1.00 0.00 N ATOM 0 H GLN A 23 -5.173 -0.349 8.364 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.644 -2.716 8.752 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.438 -1.310 7.846 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.440 -0.330 8.901 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.148 0.303 6.692 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.573 -0.307 5.874 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.203 2.248 7.777 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.547 3.378 7.582 1.00 0.00 H new ATOM 365 N TYR A 24 -5.400 -2.369 5.802 1.00 0.00 N ATOM 366 CA TYR A 24 -5.234 -2.985 4.515 1.00 0.00 C ATOM 367 C TYR A 24 -4.240 -4.118 4.551 1.00 0.00 C ATOM 368 O TYR A 24 -4.283 -4.993 3.698 1.00 0.00 O ATOM 369 CB TYR A 24 -4.854 -1.963 3.444 1.00 0.00 C ATOM 370 CG TYR A 24 -6.027 -1.446 2.650 1.00 0.00 C ATOM 371 CD1 TYR A 24 -6.766 -0.362 3.063 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.390 -2.064 1.469 1.00 0.00 C ATOM 373 CE1 TYR A 24 -7.834 0.086 2.316 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.451 -1.618 0.720 1.00 0.00 C ATOM 375 CZ TYR A 24 -8.167 -0.550 1.139 1.00 0.00 C ATOM 376 OH TYR A 24 -9.253 -0.122 0.395 1.00 0.00 O ATOM 0 H TYR A 24 -4.726 -1.629 6.000 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.202 -3.408 4.247 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.351 -1.122 3.921 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.137 -2.417 2.760 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.507 0.143 3.982 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.826 -2.919 1.126 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.410 0.935 2.653 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.713 -2.118 -0.201 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.077 0.777 0.046 1.00 0.00 H new ATOM 386 N VAL A 25 -3.370 -4.121 5.560 1.00 0.00 N ATOM 387 CA VAL A 25 -2.331 -5.168 5.709 1.00 0.00 C ATOM 388 C VAL A 25 -2.929 -6.569 5.675 1.00 0.00 C ATOM 389 O VAL A 25 -2.372 -7.463 5.026 1.00 0.00 O ATOM 390 CB VAL A 25 -1.454 -5.011 7.002 1.00 0.00 C ATOM 391 CG1 VAL A 25 -0.476 -6.156 7.141 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.739 -3.685 7.013 1.00 0.00 C ATOM 0 H VAL A 25 -3.355 -3.413 6.294 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.675 -5.029 4.850 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.123 -5.038 7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.117 -6.020 8.045 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.023 -7.096 7.204 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.184 -6.178 6.274 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.139 -3.603 7.919 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.090 -3.615 6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.470 -2.877 6.987 1.00 0.00 H new ATOM 402 N SER A 26 -4.089 -6.728 6.309 1.00 0.00 N ATOM 403 CA SER A 26 -4.760 -8.019 6.399 1.00 0.00 C ATOM 404 C SER A 26 -4.939 -8.677 5.017 1.00 0.00 C ATOM 405 O SER A 26 -4.741 -9.881 4.857 1.00 0.00 O ATOM 406 CB SER A 26 -6.105 -7.821 7.060 1.00 0.00 C ATOM 407 OG SER A 26 -5.953 -7.116 8.292 1.00 0.00 O ATOM 0 H SER A 26 -4.587 -5.968 6.772 1.00 0.00 H new ATOM 0 HA SER A 26 -4.139 -8.690 6.992 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.766 -7.266 6.395 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.574 -8.788 7.242 1.00 0.00 H new ATOM 0 HG SER A 26 -6.831 -6.993 8.709 1.00 0.00 H new ATOM 413 N GLU A 27 -5.237 -7.870 4.026 1.00 0.00 N ATOM 414 CA GLU A 27 -5.480 -8.375 2.710 1.00 0.00 C ATOM 415 C GLU A 27 -4.259 -8.109 1.790 1.00 0.00 C ATOM 416 O GLU A 27 -3.970 -8.895 0.902 1.00 0.00 O ATOM 417 CB GLU A 27 -6.781 -7.775 2.176 1.00 0.00 C ATOM 418 CG GLU A 27 -7.265 -8.321 0.844 1.00 0.00 C ATOM 419 CD GLU A 27 -7.546 -9.801 0.834 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.485 -10.261 1.506 1.00 0.00 O ATOM 421 OE2 GLU A 27 -6.865 -10.520 0.118 1.00 0.00 O ATOM 0 H GLU A 27 -5.315 -6.857 4.115 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.605 -9.458 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.563 -7.934 2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.649 -6.697 2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.173 -7.791 0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.516 -8.102 0.083 1.00 0.00 H new ATOM 428 N PHE A 28 -3.511 -7.021 2.047 1.00 0.00 N ATOM 429 CA PHE A 28 -2.286 -6.705 1.273 1.00 0.00 C ATOM 430 C PHE A 28 -1.304 -7.855 1.340 1.00 0.00 C ATOM 431 O PHE A 28 -0.826 -8.357 0.317 1.00 0.00 O ATOM 432 CB PHE A 28 -1.606 -5.438 1.804 1.00 0.00 C ATOM 433 CG PHE A 28 -1.831 -4.194 0.983 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.085 -3.652 0.840 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.764 -3.566 0.358 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.282 -2.506 0.093 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.955 -2.420 -0.386 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.218 -1.892 -0.518 1.00 0.00 C ATOM 0 H PHE A 28 -3.728 -6.346 2.780 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.588 -6.539 0.239 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.960 -5.253 2.818 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.534 -5.621 1.869 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.929 -4.128 1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.229 -3.979 0.455 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.275 -2.093 -0.010 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.115 -1.939 -0.864 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.372 -0.996 -1.101 1.00 0.00 H new ATOM 448 N SER A 29 -1.092 -8.337 2.534 1.00 0.00 N ATOM 449 CA SER A 29 -0.163 -9.396 2.767 1.00 0.00 C ATOM 450 C SER A 29 -0.805 -10.750 2.441 1.00 0.00 C ATOM 451 O SER A 29 -0.149 -11.782 2.430 1.00 0.00 O ATOM 452 CB SER A 29 0.351 -9.327 4.210 1.00 0.00 C ATOM 453 OG SER A 29 0.987 -8.061 4.455 1.00 0.00 O ATOM 0 H SER A 29 -1.564 -8.001 3.374 1.00 0.00 H new ATOM 0 HA SER A 29 0.696 -9.283 2.105 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.477 -9.466 4.905 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.058 -10.137 4.390 1.00 0.00 H new ATOM 0 HG SER A 29 1.866 -8.047 4.022 1.00 0.00 H new ATOM 459 N ALA A 30 -2.084 -10.724 2.122 1.00 0.00 N ATOM 460 CA ALA A 30 -2.792 -11.918 1.761 1.00 0.00 C ATOM 461 C ALA A 30 -2.655 -12.164 0.273 1.00 0.00 C ATOM 462 O ALA A 30 -2.401 -13.283 -0.162 1.00 0.00 O ATOM 463 CB ALA A 30 -4.252 -11.826 2.169 1.00 0.00 C ATOM 0 H ALA A 30 -2.651 -9.876 2.108 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.356 -12.762 2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.768 -12.743 1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.320 -11.691 3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.717 -10.978 1.667 1.00 0.00 H new ATOM 469 N GLN A 31 -2.749 -11.103 -0.520 1.00 0.00 N ATOM 470 CA GLN A 31 -2.678 -11.267 -1.996 1.00 0.00 C ATOM 471 C GLN A 31 -1.261 -11.129 -2.481 1.00 0.00 C ATOM 472 O GLN A 31 -1.015 -11.092 -3.692 1.00 0.00 O ATOM 473 CB GLN A 31 -3.563 -10.277 -2.770 1.00 0.00 C ATOM 474 CG GLN A 31 -4.650 -9.636 -1.964 1.00 0.00 C ATOM 475 CD GLN A 31 -5.694 -8.932 -2.812 1.00 0.00 C ATOM 476 OE1 GLN A 31 -5.408 -8.424 -3.895 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.906 -8.920 -2.339 1.00 0.00 N ATOM 0 H GLN A 31 -2.871 -10.144 -0.196 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.056 -12.270 -2.194 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.929 -9.494 -3.185 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.016 -10.800 -3.612 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.139 -10.398 -1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.206 -8.917 -1.276 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.106 -9.352 -1.437 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.657 -8.479 -2.871 1.00 0.00 H new ATOM 486 N ASN A 32 -0.328 -11.062 -1.525 1.00 0.00 N ATOM 487 CA ASN A 32 1.108 -10.944 -1.808 1.00 0.00 C ATOM 488 C ASN A 32 1.372 -9.624 -2.485 1.00 0.00 C ATOM 489 O ASN A 32 2.183 -9.536 -3.407 1.00 0.00 O ATOM 490 CB ASN A 32 1.643 -12.092 -2.713 1.00 0.00 C ATOM 491 CG ASN A 32 1.531 -13.498 -2.162 1.00 0.00 C ATOM 492 OD1 ASN A 32 2.403 -14.330 -2.399 1.00 0.00 O ATOM 493 ND2 ASN A 32 0.452 -13.807 -1.502 1.00 0.00 N ATOM 0 H ASN A 32 -0.548 -11.088 -0.529 1.00 0.00 H new ATOM 0 HA ASN A 32 1.631 -11.010 -0.854 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.109 -12.055 -3.662 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.693 -11.894 -2.930 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.314 -14.761 -1.167 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.256 -13.095 -1.320 1.00 0.00 H new ATOM 500 N ILE A 33 0.665 -8.598 -2.047 1.00 0.00 N ATOM 501 CA ILE A 33 0.825 -7.295 -2.621 1.00 0.00 C ATOM 502 C ILE A 33 2.170 -6.741 -2.182 1.00 0.00 C ATOM 503 O ILE A 33 2.369 -6.473 -1.007 1.00 0.00 O ATOM 504 CB ILE A 33 -0.316 -6.313 -2.194 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.698 -6.846 -2.628 1.00 0.00 C ATOM 506 CG2 ILE A 33 -0.083 -4.913 -2.775 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.859 -7.023 -4.133 1.00 0.00 C ATOM 0 H ILE A 33 -0.023 -8.652 -1.296 1.00 0.00 H new ATOM 0 HA ILE A 33 0.775 -7.388 -3.706 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.299 -6.243 -1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.874 -7.805 -2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.467 -6.161 -2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.890 -4.251 -2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.868 -4.522 -2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.061 -4.970 -3.863 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.858 -7.401 -4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.718 -6.063 -4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.116 -7.732 -4.497 1.00 0.00 H new ATOM 519 N SER A 34 3.100 -6.646 -3.095 1.00 0.00 N ATOM 520 CA SER A 34 4.391 -6.125 -2.761 1.00 0.00 C ATOM 521 C SER A 34 4.493 -4.711 -3.286 1.00 0.00 C ATOM 522 O SER A 34 3.489 -4.129 -3.737 1.00 0.00 O ATOM 523 CB SER A 34 5.485 -6.987 -3.387 1.00 0.00 C ATOM 524 OG SER A 34 5.464 -6.900 -4.807 1.00 0.00 O ATOM 0 H SER A 34 2.985 -6.922 -4.070 1.00 0.00 H new ATOM 0 HA SER A 34 4.520 -6.133 -1.679 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.459 -6.668 -3.016 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.352 -8.025 -3.082 1.00 0.00 H new ATOM 0 HG SER A 34 4.577 -7.153 -5.137 1.00 0.00 H new ATOM 530 N GLY A 35 5.705 -4.176 -3.295 1.00 0.00 N ATOM 531 CA GLY A 35 5.943 -2.851 -3.794 1.00 0.00 C ATOM 532 C GLY A 35 5.633 -2.746 -5.261 1.00 0.00 C ATOM 533 O GLY A 35 5.297 -1.672 -5.750 1.00 0.00 O ATOM 0 H GLY A 35 6.540 -4.654 -2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.331 -2.138 -3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.984 -2.579 -3.622 1.00 0.00 H new ATOM 537 N GLU A 36 5.701 -3.881 -5.947 1.00 0.00 N ATOM 538 CA GLU A 36 5.392 -3.966 -7.347 1.00 0.00 C ATOM 539 C GLU A 36 3.950 -3.539 -7.581 1.00 0.00 C ATOM 540 O GLU A 36 3.663 -2.738 -8.467 1.00 0.00 O ATOM 541 CB GLU A 36 5.640 -5.386 -7.839 1.00 0.00 C ATOM 542 CG GLU A 36 5.420 -5.553 -9.319 1.00 0.00 C ATOM 543 CD GLU A 36 6.254 -4.620 -10.163 1.00 0.00 C ATOM 544 OE1 GLU A 36 7.459 -4.848 -10.324 1.00 0.00 O ATOM 545 OE2 GLU A 36 5.702 -3.654 -10.705 1.00 0.00 O ATOM 0 H GLU A 36 5.976 -4.771 -5.531 1.00 0.00 H new ATOM 0 HA GLU A 36 6.038 -3.294 -7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.663 -5.673 -7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.982 -6.069 -7.302 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.647 -6.582 -9.598 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.366 -5.387 -9.542 1.00 0.00 H new ATOM 552 N GLN A 37 3.060 -4.000 -6.734 1.00 0.00 N ATOM 553 CA GLN A 37 1.678 -3.636 -6.878 1.00 0.00 C ATOM 554 C GLN A 37 1.318 -2.396 -6.080 1.00 0.00 C ATOM 555 O GLN A 37 0.320 -1.760 -6.357 1.00 0.00 O ATOM 556 CB GLN A 37 0.693 -4.796 -6.624 1.00 0.00 C ATOM 557 CG GLN A 37 1.207 -6.002 -5.860 1.00 0.00 C ATOM 558 CD GLN A 37 2.181 -6.885 -6.616 1.00 0.00 C ATOM 559 OE1 GLN A 37 3.002 -7.531 -6.020 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.124 -6.886 -7.919 1.00 0.00 N ATOM 0 H GLN A 37 3.267 -4.619 -5.950 1.00 0.00 H new ATOM 0 HA GLN A 37 1.563 -3.385 -7.932 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.164 -4.396 -6.082 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.326 -5.142 -7.590 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.692 -5.653 -4.948 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.354 -6.609 -5.556 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.417 -6.329 -8.399 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.786 -7.444 -8.458 1.00 0.00 H new ATOM 569 N LEU A 38 2.162 -2.060 -5.125 1.00 0.00 N ATOM 570 CA LEU A 38 2.002 -0.889 -4.260 1.00 0.00 C ATOM 571 C LEU A 38 2.141 0.395 -5.102 1.00 0.00 C ATOM 572 O LEU A 38 1.293 1.272 -5.059 1.00 0.00 O ATOM 573 CB LEU A 38 3.104 -0.956 -3.175 1.00 0.00 C ATOM 574 CG LEU A 38 2.965 -0.122 -1.884 1.00 0.00 C ATOM 575 CD1 LEU A 38 4.103 -0.448 -0.951 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.983 1.355 -2.149 1.00 0.00 C ATOM 0 H LEU A 38 3.001 -2.601 -4.917 1.00 0.00 H new ATOM 0 HA LEU A 38 1.019 -0.878 -3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.204 -2.000 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.043 -0.668 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 38 2.002 -0.378 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.006 0.141 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.077 -1.509 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.050 -0.212 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.882 1.895 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.925 1.628 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.155 1.617 -2.808 1.00 0.00 H new ATOM 588 N LEU A 39 3.197 0.462 -5.884 1.00 0.00 N ATOM 589 CA LEU A 39 3.503 1.641 -6.707 1.00 0.00 C ATOM 590 C LEU A 39 2.438 1.890 -7.764 1.00 0.00 C ATOM 591 O LEU A 39 2.134 3.026 -8.103 1.00 0.00 O ATOM 592 CB LEU A 39 4.847 1.429 -7.383 1.00 0.00 C ATOM 593 CG LEU A 39 6.040 1.320 -6.451 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.189 0.633 -7.167 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.456 2.713 -5.967 1.00 0.00 C ATOM 0 H LEU A 39 3.876 -0.294 -5.976 1.00 0.00 H new ATOM 0 HA LEU A 39 3.530 2.515 -6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.793 0.520 -7.982 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.021 2.255 -8.072 1.00 0.00 H new ATOM 0 HG LEU A 39 5.766 0.723 -5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.043 0.557 -6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.880 -0.366 -7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.470 1.214 -8.046 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.313 2.625 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.726 3.330 -6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.626 3.176 -5.434 1.00 0.00 H new ATOM 607 N GLN A 40 1.883 0.835 -8.277 1.00 0.00 N ATOM 608 CA GLN A 40 0.897 0.956 -9.341 1.00 0.00 C ATOM 609 C GLN A 40 -0.559 0.821 -8.830 1.00 0.00 C ATOM 610 O GLN A 40 -1.489 0.647 -9.629 1.00 0.00 O ATOM 611 CB GLN A 40 1.238 -0.023 -10.495 1.00 0.00 C ATOM 612 CG GLN A 40 1.157 -1.501 -10.144 1.00 0.00 C ATOM 613 CD GLN A 40 -0.223 -2.079 -10.336 1.00 0.00 C ATOM 614 OE1 GLN A 40 -0.970 -1.667 -11.218 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.584 -2.992 -9.511 1.00 0.00 N ATOM 0 H GLN A 40 2.086 -0.122 -7.987 1.00 0.00 H new ATOM 0 HA GLN A 40 0.951 1.968 -9.741 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.561 0.173 -11.327 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.246 0.194 -10.847 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.865 -2.054 -10.761 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.461 -1.639 -9.107 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.062 -3.312 -8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.517 -3.398 -9.576 1.00 0.00 H new ATOM 624 N LEU A 41 -0.747 0.930 -7.506 1.00 0.00 N ATOM 625 CA LEU A 41 -2.072 0.881 -6.888 1.00 0.00 C ATOM 626 C LEU A 41 -3.052 1.876 -7.501 1.00 0.00 C ATOM 627 O LEU A 41 -2.670 2.945 -8.001 1.00 0.00 O ATOM 628 CB LEU A 41 -2.000 1.128 -5.392 1.00 0.00 C ATOM 629 CG LEU A 41 -1.539 -0.025 -4.525 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.341 0.478 -3.137 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.574 -1.141 -4.510 1.00 0.00 C ATOM 0 H LEU A 41 0.015 1.054 -6.839 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.441 -0.127 -7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.330 1.970 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.989 1.433 -5.051 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.609 -0.425 -4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.009 -0.340 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.588 1.266 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.282 0.876 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.220 -1.957 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.515 -0.759 -4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.730 -1.507 -5.525 1.00 0.00 H new ATOM 643 N ASP A 42 -4.301 1.523 -7.429 1.00 0.00 N ATOM 644 CA ASP A 42 -5.387 2.285 -7.988 1.00 0.00 C ATOM 645 C ASP A 42 -6.610 1.899 -7.189 1.00 0.00 C ATOM 646 O ASP A 42 -6.534 0.907 -6.437 1.00 0.00 O ATOM 647 CB ASP A 42 -5.571 1.894 -9.472 1.00 0.00 C ATOM 648 CG ASP A 42 -6.634 2.696 -10.181 1.00 0.00 C ATOM 649 OD1 ASP A 42 -6.327 3.799 -10.669 1.00 0.00 O ATOM 650 OD2 ASP A 42 -7.791 2.240 -10.258 1.00 0.00 O ATOM 0 H ASP A 42 -4.606 0.668 -6.964 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.207 3.359 -7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.622 2.023 -9.993 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.826 0.836 -9.531 1.00 0.00 H new ATOM 655 N GLY A 43 -7.718 2.643 -7.324 1.00 0.00 N ATOM 656 CA GLY A 43 -8.951 2.310 -6.624 1.00 0.00 C ATOM 657 C GLY A 43 -9.367 0.903 -6.898 1.00 0.00 C ATOM 658 O GLY A 43 -9.788 0.210 -5.996 1.00 0.00 O ATOM 0 H GLY A 43 -7.778 3.475 -7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.812 2.448 -5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.743 2.992 -6.933 1.00 0.00 H new ATOM 662 N ASN A 44 -9.180 0.476 -8.146 1.00 0.00 N ATOM 663 CA ASN A 44 -9.502 -0.878 -8.585 1.00 0.00 C ATOM 664 C ASN A 44 -8.900 -1.917 -7.681 1.00 0.00 C ATOM 665 O ASN A 44 -9.591 -2.816 -7.206 1.00 0.00 O ATOM 666 CB ASN A 44 -9.046 -1.096 -10.018 1.00 0.00 C ATOM 667 CG ASN A 44 -9.874 -0.313 -11.013 1.00 0.00 C ATOM 668 OD1 ASN A 44 -11.057 -0.051 -10.784 1.00 0.00 O ATOM 669 ND2 ASN A 44 -9.285 0.071 -12.100 1.00 0.00 N ATOM 0 H ASN A 44 -8.798 1.066 -8.885 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.585 -0.987 -8.537 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.000 -0.805 -10.112 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.104 -2.158 -10.257 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.801 0.607 -12.798 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.305 -0.162 -12.259 1.00 0.00 H new ATOM 676 N LYS A 45 -7.624 -1.765 -7.406 1.00 0.00 N ATOM 677 CA LYS A 45 -6.935 -2.671 -6.527 1.00 0.00 C ATOM 678 C LYS A 45 -7.488 -2.591 -5.117 1.00 0.00 C ATOM 679 O LYS A 45 -7.803 -3.593 -4.546 1.00 0.00 O ATOM 680 CB LYS A 45 -5.431 -2.423 -6.527 1.00 0.00 C ATOM 681 CG LYS A 45 -4.837 -2.384 -7.910 1.00 0.00 C ATOM 682 CD LYS A 45 -3.387 -2.865 -7.932 1.00 0.00 C ATOM 683 CE LYS A 45 -3.224 -4.323 -7.477 1.00 0.00 C ATOM 684 NZ LYS A 45 -3.986 -5.275 -8.318 1.00 0.00 N ATOM 0 H LYS A 45 -7.043 -1.016 -7.783 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.105 -3.678 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.225 -1.479 -6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.940 -3.206 -5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.434 -3.006 -8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.886 -1.366 -8.295 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.992 -2.761 -8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.788 -2.221 -7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.167 -4.590 -7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.554 -4.415 -6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.761 -6.249 -8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.005 -5.106 -8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.728 -5.140 -9.316 1.00 0.00 H new ATOM 698 N LEU A 46 -7.673 -1.378 -4.609 1.00 0.00 N ATOM 699 CA LEU A 46 -8.188 -1.145 -3.238 1.00 0.00 C ATOM 700 C LEU A 46 -9.542 -1.811 -3.036 1.00 0.00 C ATOM 701 O LEU A 46 -9.854 -2.343 -1.958 1.00 0.00 O ATOM 702 CB LEU A 46 -8.303 0.355 -2.988 1.00 0.00 C ATOM 703 CG LEU A 46 -6.979 1.130 -3.062 1.00 0.00 C ATOM 704 CD1 LEU A 46 -7.211 2.617 -2.926 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.997 0.642 -2.002 1.00 0.00 C ATOM 0 H LEU A 46 -7.475 -0.520 -5.124 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.489 -1.585 -2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.995 0.777 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.743 0.511 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.542 0.942 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.257 3.141 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.860 2.959 -3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.683 2.825 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.069 1.208 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.430 0.785 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.790 -0.417 -2.158 1.00 0.00 H new ATOM 717 N LYS A 47 -10.324 -1.811 -4.081 1.00 0.00 N ATOM 718 CA LYS A 47 -11.615 -2.434 -4.061 1.00 0.00 C ATOM 719 C LYS A 47 -11.469 -3.963 -4.037 1.00 0.00 C ATOM 720 O LYS A 47 -12.225 -4.663 -3.355 1.00 0.00 O ATOM 721 CB LYS A 47 -12.440 -1.966 -5.259 1.00 0.00 C ATOM 722 CG LYS A 47 -12.589 -0.454 -5.317 1.00 0.00 C ATOM 723 CD LYS A 47 -13.132 0.040 -6.653 1.00 0.00 C ATOM 724 CE LYS A 47 -14.562 -0.443 -6.900 1.00 0.00 C ATOM 725 NZ LYS A 47 -15.122 0.091 -8.155 1.00 0.00 N ATOM 0 H LYS A 47 -10.081 -1.377 -4.972 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.143 -2.139 -3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.969 -2.316 -6.178 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.429 -2.423 -5.214 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.255 -0.129 -4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.620 0.009 -5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.108 1.130 -6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.486 -0.309 -7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.575 -1.532 -6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.195 -0.142 -6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.092 -0.263 -8.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.135 1.130 -8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.535 -0.217 -8.956 1.00 0.00 H new ATOM 739 N ALA A 48 -10.452 -4.459 -4.720 1.00 0.00 N ATOM 740 CA ALA A 48 -10.170 -5.891 -4.782 1.00 0.00 C ATOM 741 C ALA A 48 -9.470 -6.366 -3.502 1.00 0.00 C ATOM 742 O ALA A 48 -9.287 -7.562 -3.281 1.00 0.00 O ATOM 743 CB ALA A 48 -9.340 -6.227 -6.013 1.00 0.00 C ATOM 0 H ALA A 48 -9.796 -3.884 -5.249 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.120 -6.420 -4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.143 -7.299 -6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.887 -5.938 -6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.395 -5.685 -5.974 1.00 0.00 H new ATOM 749 N LEU A 49 -9.085 -5.417 -2.669 1.00 0.00 N ATOM 750 CA LEU A 49 -8.523 -5.690 -1.364 1.00 0.00 C ATOM 751 C LEU A 49 -9.667 -5.871 -0.356 1.00 0.00 C ATOM 752 O LEU A 49 -9.451 -6.089 0.840 1.00 0.00 O ATOM 753 CB LEU A 49 -7.603 -4.541 -0.920 1.00 0.00 C ATOM 754 CG LEU A 49 -6.069 -4.609 -1.235 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.418 -5.799 -0.609 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.764 -4.594 -2.709 1.00 0.00 C ATOM 0 H LEU A 49 -9.156 -4.423 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.927 -6.601 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.987 -3.625 -1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.710 -4.437 0.160 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.654 -3.702 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.356 -5.804 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.540 -5.753 0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.882 -6.709 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.685 -4.643 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.236 -5.452 -3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.150 -3.675 -3.151 1.00 0.00 H new ATOM 768 N GLY A 50 -10.889 -5.695 -0.849 1.00 0.00 N ATOM 769 CA GLY A 50 -12.077 -5.948 -0.067 1.00 0.00 C ATOM 770 C GLY A 50 -12.372 -4.911 0.995 1.00 0.00 C ATOM 771 O GLY A 50 -13.363 -5.036 1.719 1.00 0.00 O ATOM 0 H GLY A 50 -11.075 -5.374 -1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.932 -6.011 -0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.978 -6.921 0.413 1.00 0.00 H new ATOM 775 N MET A 51 -11.555 -3.886 1.103 1.00 0.00 N ATOM 776 CA MET A 51 -11.795 -2.884 2.141 1.00 0.00 C ATOM 777 C MET A 51 -12.798 -1.889 1.662 1.00 0.00 C ATOM 778 O MET A 51 -13.836 -1.699 2.297 1.00 0.00 O ATOM 779 CB MET A 51 -10.525 -2.203 2.596 1.00 0.00 C ATOM 780 CG MET A 51 -10.704 -1.291 3.806 1.00 0.00 C ATOM 781 SD MET A 51 -11.148 -2.194 5.303 1.00 0.00 S ATOM 782 CE MET A 51 -11.311 -0.833 6.463 1.00 0.00 C ATOM 0 H MET A 51 -10.742 -3.719 0.510 1.00 0.00 H new ATOM 0 HA MET A 51 -12.192 -3.402 3.014 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.783 -2.965 2.836 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.124 -1.617 1.769 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.779 -0.740 3.980 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.478 -0.554 3.589 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.694 -1.027 7.340 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.985 0.092 5.987 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.353 -0.737 6.767 1.00 0.00 H new ATOM 792 N THR A 52 -12.502 -1.271 0.529 1.00 0.00 N ATOM 793 CA THR A 52 -13.396 -0.341 -0.153 1.00 0.00 C ATOM 794 C THR A 52 -13.888 0.782 0.786 1.00 0.00 C ATOM 795 O THR A 52 -15.069 1.162 0.780 1.00 0.00 O ATOM 796 CB THR A 52 -14.607 -1.093 -0.798 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.408 -1.763 0.190 1.00 0.00 O ATOM 798 CG2 THR A 52 -14.125 -2.119 -1.786 1.00 0.00 C ATOM 0 H THR A 52 -11.614 -1.404 0.045 1.00 0.00 H new ATOM 0 HA THR A 52 -12.819 0.129 -0.950 1.00 0.00 H new ATOM 0 HB THR A 52 -15.214 -0.338 -1.298 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.135 -1.471 1.085 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.981 -2.632 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.555 -1.626 -2.573 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.489 -2.844 -1.277 1.00 0.00 H new ATOM 806 N SER A 53 -12.996 1.278 1.600 1.00 0.00 N ATOM 807 CA SER A 53 -13.317 2.391 2.499 1.00 0.00 C ATOM 808 C SER A 53 -13.364 3.714 1.688 1.00 0.00 C ATOM 809 O SER A 53 -13.212 3.710 0.469 1.00 0.00 O ATOM 810 CB SER A 53 -12.267 2.477 3.638 1.00 0.00 C ATOM 811 OG SER A 53 -12.582 3.487 4.600 1.00 0.00 O ATOM 0 H SER A 53 -12.036 0.940 1.671 1.00 0.00 H new ATOM 0 HA SER A 53 -14.294 2.223 2.952 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.200 1.511 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.286 2.682 3.209 1.00 0.00 H new ATOM 0 HG SER A 53 -11.893 3.501 5.297 1.00 0.00 H new ATOM 817 N SER A 54 -13.635 4.813 2.344 1.00 0.00 N ATOM 818 CA SER A 54 -13.591 6.101 1.699 1.00 0.00 C ATOM 819 C SER A 54 -12.356 6.853 2.205 1.00 0.00 C ATOM 820 O SER A 54 -11.804 7.725 1.523 1.00 0.00 O ATOM 821 CB SER A 54 -14.869 6.883 2.003 1.00 0.00 C ATOM 822 OG SER A 54 -16.017 6.101 1.694 1.00 0.00 O ATOM 0 H SER A 54 -13.890 4.842 3.331 1.00 0.00 H new ATOM 0 HA SER A 54 -13.524 5.981 0.618 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.887 7.166 3.055 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.884 7.806 1.424 1.00 0.00 H new ATOM 0 HG SER A 54 -16.827 6.615 1.896 1.00 0.00 H new ATOM 828 N GLN A 55 -11.900 6.456 3.382 1.00 0.00 N ATOM 829 CA GLN A 55 -10.762 7.058 4.041 1.00 0.00 C ATOM 830 C GLN A 55 -9.483 6.735 3.307 1.00 0.00 C ATOM 831 O GLN A 55 -8.627 7.603 3.089 1.00 0.00 O ATOM 832 CB GLN A 55 -10.714 6.580 5.513 1.00 0.00 C ATOM 833 CG GLN A 55 -9.465 6.959 6.323 1.00 0.00 C ATOM 834 CD GLN A 55 -8.409 5.856 6.385 1.00 0.00 C ATOM 835 OE1 GLN A 55 -8.449 4.988 7.262 1.00 0.00 O ATOM 836 NE2 GLN A 55 -7.443 5.908 5.517 1.00 0.00 N ATOM 0 H GLN A 55 -12.321 5.693 3.912 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.868 8.143 4.031 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.587 6.979 6.029 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.808 5.494 5.521 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.018 7.852 5.886 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.767 7.217 7.338 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.437 6.637 4.804 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.691 5.220 5.549 1.00 0.00 H new ATOM 845 N ASP A 56 -9.363 5.514 2.896 1.00 0.00 N ATOM 846 CA ASP A 56 -8.149 5.047 2.276 1.00 0.00 C ATOM 847 C ASP A 56 -8.052 5.574 0.867 1.00 0.00 C ATOM 848 O ASP A 56 -7.006 6.038 0.470 1.00 0.00 O ATOM 849 CB ASP A 56 -8.098 3.521 2.243 1.00 0.00 C ATOM 850 CG ASP A 56 -9.131 2.944 1.300 1.00 0.00 C ATOM 851 OD1 ASP A 56 -10.309 3.121 1.562 1.00 0.00 O ATOM 852 OD2 ASP A 56 -8.762 2.395 0.261 1.00 0.00 O ATOM 0 H ASP A 56 -10.096 4.809 2.977 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.311 5.413 2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.104 3.197 1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.264 3.130 3.247 1.00 0.00 H new ATOM 857 N ARG A 57 -9.176 5.565 0.157 1.00 0.00 N ATOM 858 CA ARG A 57 -9.261 5.978 -1.250 1.00 0.00 C ATOM 859 C ARG A 57 -8.734 7.386 -1.472 1.00 0.00 C ATOM 860 O ARG A 57 -8.407 7.760 -2.587 1.00 0.00 O ATOM 861 CB ARG A 57 -10.694 5.864 -1.750 1.00 0.00 C ATOM 862 CG ARG A 57 -11.255 4.450 -1.747 1.00 0.00 C ATOM 863 CD ARG A 57 -10.633 3.556 -2.817 1.00 0.00 C ATOM 864 NE ARG A 57 -10.898 4.059 -4.177 1.00 0.00 N ATOM 865 CZ ARG A 57 -11.976 3.764 -4.921 1.00 0.00 C ATOM 866 NH1 ARG A 57 -12.944 3.011 -4.421 1.00 0.00 N ATOM 867 NH2 ARG A 57 -12.084 4.239 -6.166 1.00 0.00 N ATOM 0 H ARG A 57 -10.071 5.267 0.545 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.625 5.302 -1.822 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.332 6.495 -1.132 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.743 6.258 -2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.090 4.002 -0.767 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.333 4.493 -1.900 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.557 3.493 -2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.029 2.545 -2.720 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.204 4.684 -4.587 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.872 2.654 -3.468 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.762 2.789 -4.989 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.346 4.827 -6.553 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.904 4.013 -6.729 1.00 0.00 H new ATOM 881 N ALA A 58 -8.668 8.158 -0.420 1.00 0.00 N ATOM 882 CA ALA A 58 -8.104 9.469 -0.496 1.00 0.00 C ATOM 883 C ALA A 58 -6.675 9.486 0.051 1.00 0.00 C ATOM 884 O ALA A 58 -5.799 10.164 -0.495 1.00 0.00 O ATOM 885 CB ALA A 58 -8.974 10.449 0.247 1.00 0.00 C ATOM 0 H ALA A 58 -9.003 7.893 0.506 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.060 9.765 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.536 11.445 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.969 10.461 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.047 10.151 1.293 1.00 0.00 H new ATOM 891 N LEU A 59 -6.423 8.696 1.083 1.00 0.00 N ATOM 892 CA LEU A 59 -5.133 8.732 1.759 1.00 0.00 C ATOM 893 C LEU A 59 -4.069 7.879 1.091 1.00 0.00 C ATOM 894 O LEU A 59 -2.978 8.377 0.777 1.00 0.00 O ATOM 895 CB LEU A 59 -5.215 8.337 3.218 1.00 0.00 C ATOM 896 CG LEU A 59 -3.897 8.572 3.963 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.469 10.018 3.864 1.00 0.00 C ATOM 898 CD2 LEU A 59 -3.972 8.159 5.392 1.00 0.00 C ATOM 0 H LEU A 59 -7.088 8.026 1.470 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.838 9.779 1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.009 8.907 3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.488 7.284 3.292 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.149 7.945 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.531 10.157 4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.330 10.286 2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.237 10.655 4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.013 8.346 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.750 8.732 5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.208 7.096 5.452 1.00 0.00 H new ATOM 910 N VAL A 60 -4.359 6.594 0.871 1.00 0.00 N ATOM 911 CA VAL A 60 -3.383 5.702 0.261 1.00 0.00 C ATOM 912 C VAL A 60 -3.096 6.173 -1.163 1.00 0.00 C ATOM 913 O VAL A 60 -2.007 6.038 -1.662 1.00 0.00 O ATOM 914 CB VAL A 60 -3.824 4.185 0.269 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.108 3.965 -0.468 1.00 0.00 C ATOM 916 CG2 VAL A 60 -2.758 3.352 -0.362 1.00 0.00 C ATOM 0 H VAL A 60 -5.251 6.157 1.104 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.477 5.749 0.866 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.977 3.897 1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.370 2.907 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.900 4.550 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.990 4.277 -1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.063 2.305 -0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.602 3.679 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.830 3.463 0.199 1.00 0.00 H new ATOM 926 N LYS A 61 -4.060 6.876 -1.706 1.00 0.00 N ATOM 927 CA LYS A 61 -4.038 7.375 -3.077 1.00 0.00 C ATOM 928 C LYS A 61 -2.989 8.469 -3.186 1.00 0.00 C ATOM 929 O LYS A 61 -2.347 8.663 -4.209 1.00 0.00 O ATOM 930 CB LYS A 61 -5.409 7.957 -3.394 1.00 0.00 C ATOM 931 CG LYS A 61 -5.665 8.336 -4.844 1.00 0.00 C ATOM 932 CD LYS A 61 -5.663 7.113 -5.741 1.00 0.00 C ATOM 933 CE LYS A 61 -6.292 7.414 -7.091 1.00 0.00 C ATOM 934 NZ LYS A 61 -5.516 8.379 -7.898 1.00 0.00 N ATOM 0 H LYS A 61 -4.909 7.129 -1.200 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.800 6.572 -3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.165 7.233 -3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.554 8.845 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.624 8.847 -4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.901 9.037 -5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.639 6.767 -5.884 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.209 6.304 -5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.396 6.484 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.297 7.807 -6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.999 8.540 -8.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.438 9.279 -7.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.565 7.998 -8.075 1.00 0.00 H new ATOM 948 N LYS A 62 -2.808 9.138 -2.090 1.00 0.00 N ATOM 949 CA LYS A 62 -1.887 10.226 -1.983 1.00 0.00 C ATOM 950 C LYS A 62 -0.519 9.691 -1.646 1.00 0.00 C ATOM 951 O LYS A 62 0.491 10.152 -2.159 1.00 0.00 O ATOM 952 CB LYS A 62 -2.378 11.182 -0.895 1.00 0.00 C ATOM 953 CG LYS A 62 -1.408 12.294 -0.547 1.00 0.00 C ATOM 954 CD LYS A 62 -1.986 13.325 0.438 1.00 0.00 C ATOM 955 CE LYS A 62 -3.062 14.263 -0.172 1.00 0.00 C ATOM 956 NZ LYS A 62 -4.332 13.593 -0.555 1.00 0.00 N ATOM 0 H LYS A 62 -3.309 8.938 -1.224 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.824 10.765 -2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.319 11.627 -1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.590 10.607 0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.506 11.858 -0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.110 12.805 -1.462 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.422 12.795 1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.170 13.934 0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.286 15.051 0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.643 14.747 -1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.127 14.249 -0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.288 13.312 -1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.471 12.749 0.036 1.00 0.00 H new ATOM 970 N LYS A 63 -0.510 8.703 -0.814 1.00 0.00 N ATOM 971 CA LYS A 63 0.707 8.113 -0.349 1.00 0.00 C ATOM 972 C LYS A 63 1.390 7.307 -1.449 1.00 0.00 C ATOM 973 O LYS A 63 2.593 7.389 -1.627 1.00 0.00 O ATOM 974 CB LYS A 63 0.424 7.211 0.825 1.00 0.00 C ATOM 975 CG LYS A 63 1.422 7.392 1.954 1.00 0.00 C ATOM 976 CD LYS A 63 1.318 8.778 2.583 1.00 0.00 C ATOM 977 CE LYS A 63 -0.060 9.049 3.210 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.089 10.398 3.826 1.00 0.00 N ATOM 0 H LYS A 63 -1.354 8.276 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 63 1.374 8.920 -0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.581 7.410 1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.441 6.173 0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.250 6.633 2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.432 7.240 1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.087 8.883 3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.520 9.533 1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.835 8.973 2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.279 8.293 3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.439 10.326 4.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.871 10.798 3.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.719 11.017 3.277 1.00 0.00 H new ATOM 992 N LEU A 64 0.594 6.566 -2.208 1.00 0.00 N ATOM 993 CA LEU A 64 1.105 5.670 -3.236 1.00 0.00 C ATOM 994 C LEU A 64 1.831 6.425 -4.341 1.00 0.00 C ATOM 995 O LEU A 64 2.800 5.928 -4.914 1.00 0.00 O ATOM 996 CB LEU A 64 -0.021 4.751 -3.790 1.00 0.00 C ATOM 997 CG LEU A 64 -1.115 5.376 -4.702 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.650 5.479 -6.154 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.416 4.597 -4.619 1.00 0.00 C ATOM 0 H LEU A 64 -0.423 6.569 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 64 1.848 5.024 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.455 3.946 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.523 4.293 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.295 6.386 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.442 5.920 -6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.240 6.106 -6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.416 4.484 -6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.159 5.060 -5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.245 3.569 -4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.778 4.602 -3.591 1.00 0.00 H new ATOM 1011 N LYS A 65 1.397 7.637 -4.608 1.00 0.00 N ATOM 1012 CA LYS A 65 2.007 8.404 -5.684 1.00 0.00 C ATOM 1013 C LYS A 65 3.333 9.019 -5.254 1.00 0.00 C ATOM 1014 O LYS A 65 4.241 9.207 -6.069 1.00 0.00 O ATOM 1015 CB LYS A 65 1.050 9.468 -6.241 1.00 0.00 C ATOM 1016 CG LYS A 65 0.559 10.490 -5.224 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.355 11.538 -5.860 1.00 0.00 C ATOM 1018 CE LYS A 65 -1.602 10.913 -6.472 1.00 0.00 C ATOM 1019 NZ LYS A 65 -2.460 11.908 -7.131 1.00 0.00 N ATOM 0 H LYS A 65 0.642 8.109 -4.111 1.00 0.00 H new ATOM 0 HA LYS A 65 2.218 7.705 -6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.551 9.997 -7.052 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.185 8.966 -6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.022 9.978 -4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.415 10.986 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.649 12.268 -5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.195 12.079 -6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.307 10.154 -7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.171 10.405 -5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.295 11.435 -7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.765 12.619 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.928 12.375 -7.893 1.00 0.00 H new ATOM 1033 N GLU A 66 3.479 9.267 -3.966 1.00 0.00 N ATOM 1034 CA GLU A 66 4.680 9.899 -3.474 1.00 0.00 C ATOM 1035 C GLU A 66 5.676 8.870 -2.992 1.00 0.00 C ATOM 1036 O GLU A 66 6.771 9.232 -2.599 1.00 0.00 O ATOM 1037 CB GLU A 66 4.379 10.869 -2.348 1.00 0.00 C ATOM 1038 CG GLU A 66 3.837 10.205 -1.114 1.00 0.00 C ATOM 1039 CD GLU A 66 3.606 11.177 0.004 1.00 0.00 C ATOM 1040 OE1 GLU A 66 2.565 11.873 0.020 1.00 0.00 O ATOM 1041 OE2 GLU A 66 4.493 11.294 0.874 1.00 0.00 O ATOM 0 H GLU A 66 2.787 9.042 -3.251 1.00 0.00 H new ATOM 0 HA GLU A 66 5.110 10.454 -4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.290 11.408 -2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.659 11.609 -2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.899 9.705 -1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.534 9.434 -0.784 1.00 0.00 H new ATOM 1048 N MET A 67 5.304 7.579 -3.061 1.00 0.00 N ATOM 1049 CA MET A 67 6.146 6.450 -2.580 1.00 0.00 C ATOM 1050 C MET A 67 7.563 6.575 -3.032 1.00 0.00 C ATOM 1051 O MET A 67 8.482 6.380 -2.298 1.00 0.00 O ATOM 1052 CB MET A 67 5.629 5.114 -3.102 1.00 0.00 C ATOM 1053 CG MET A 67 4.347 4.720 -2.489 1.00 0.00 C ATOM 1054 SD MET A 67 4.463 4.726 -0.714 1.00 0.00 S ATOM 1055 CE MET A 67 5.667 3.441 -0.432 1.00 0.00 C ATOM 0 H MET A 67 4.410 7.280 -3.452 1.00 0.00 H new ATOM 0 HA MET A 67 6.096 6.488 -1.492 1.00 0.00 H new ATOM 0 HB2 MET A 67 5.506 5.174 -4.183 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.372 4.341 -2.908 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.561 5.405 -2.808 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.064 3.726 -2.835 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.814 3.309 0.640 1.00 0.00 H new ATOM 0 HE2 MET A 67 5.311 2.507 -0.868 1.00 0.00 H new ATOM 0 HE3 MET A 67 6.613 3.721 -0.896 1.00 0.00 H new ATOM 1065 N LYS A 68 7.704 6.995 -4.213 1.00 0.00 N ATOM 1066 CA LYS A 68 8.995 7.071 -4.872 1.00 0.00 C ATOM 1067 C LYS A 68 9.906 8.188 -4.356 1.00 0.00 C ATOM 1068 O LYS A 68 11.067 8.284 -4.754 1.00 0.00 O ATOM 1069 CB LYS A 68 8.789 7.131 -6.361 1.00 0.00 C ATOM 1070 CG LYS A 68 7.839 8.236 -6.818 1.00 0.00 C ATOM 1071 CD LYS A 68 7.479 8.074 -8.281 1.00 0.00 C ATOM 1072 CE LYS A 68 6.525 9.164 -8.759 1.00 0.00 C ATOM 1073 NZ LYS A 68 7.136 10.513 -8.726 1.00 0.00 N ATOM 0 H LYS A 68 6.926 7.312 -4.792 1.00 0.00 H new ATOM 0 HA LYS A 68 9.542 6.162 -4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.755 7.275 -6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.402 6.171 -6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.933 8.214 -6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.305 9.209 -6.660 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.388 8.098 -8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.020 7.097 -8.435 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.204 8.940 -9.776 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.632 9.159 -8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.498 11.194 -9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.295 10.798 -7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.045 10.495 -9.231 1.00 0.00 H new ATOM 1087 N MET A 69 9.391 9.011 -3.495 1.00 0.00 N ATOM 1088 CA MET A 69 10.194 10.031 -2.857 1.00 0.00 C ATOM 1089 C MET A 69 9.913 10.032 -1.362 1.00 0.00 C ATOM 1090 O MET A 69 10.402 10.884 -0.619 1.00 0.00 O ATOM 1091 CB MET A 69 9.909 11.416 -3.454 1.00 0.00 C ATOM 1092 CG MET A 69 8.492 11.924 -3.238 1.00 0.00 C ATOM 1093 SD MET A 69 8.235 13.573 -3.920 1.00 0.00 S ATOM 1094 CE MET A 69 6.531 13.867 -3.453 1.00 0.00 C ATOM 0 H MET A 69 8.412 9.003 -3.211 1.00 0.00 H new ATOM 0 HA MET A 69 11.246 9.806 -3.031 1.00 0.00 H new ATOM 0 HB2 MET A 69 10.607 12.133 -3.022 1.00 0.00 H new ATOM 0 HB3 MET A 69 10.109 11.383 -4.525 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.788 11.231 -3.698 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.274 11.938 -2.170 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.222 14.851 -3.805 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.894 13.105 -3.902 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.439 13.824 -2.368 1.00 0.00 H new ATOM 1104 N SER A 70 9.122 9.074 -0.925 1.00 0.00 N ATOM 1105 CA SER A 70 8.732 9.012 0.462 1.00 0.00 C ATOM 1106 C SER A 70 8.906 7.619 1.072 1.00 0.00 C ATOM 1107 O SER A 70 8.849 7.491 2.279 1.00 0.00 O ATOM 1108 CB SER A 70 7.277 9.456 0.620 1.00 0.00 C ATOM 1109 OG SER A 70 7.070 10.793 0.165 1.00 0.00 O ATOM 0 H SER A 70 8.739 8.332 -1.510 1.00 0.00 H new ATOM 0 HA SER A 70 9.396 9.688 1.001 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.630 8.780 0.062 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.988 9.382 1.668 1.00 0.00 H new ATOM 0 HG SER A 70 6.154 11.072 0.375 1.00 0.00 H new ATOM 1115 N LEU A 71 9.140 6.584 0.251 1.00 0.00 N ATOM 1116 CA LEU A 71 9.229 5.199 0.746 1.00 0.00 C ATOM 1117 C LEU A 71 10.338 5.046 1.749 1.00 0.00 C ATOM 1118 O LEU A 71 10.214 4.300 2.726 1.00 0.00 O ATOM 1119 CB LEU A 71 9.381 4.198 -0.426 1.00 0.00 C ATOM 1120 CG LEU A 71 10.701 4.192 -1.250 1.00 0.00 C ATOM 1121 CD1 LEU A 71 11.792 3.366 -0.587 1.00 0.00 C ATOM 1122 CD2 LEU A 71 10.469 3.729 -2.679 1.00 0.00 C ATOM 0 H LEU A 71 9.271 6.678 -0.756 1.00 0.00 H new ATOM 0 HA LEU A 71 8.295 4.968 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.241 3.195 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.561 4.379 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 71 11.048 5.225 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.693 3.393 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.012 3.777 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.455 2.335 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.414 3.738 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.064 2.717 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.762 4.399 -3.168 1.00 0.00 H new ATOM 1134 N GLU A 72 11.415 5.749 1.491 1.00 0.00 N ATOM 1135 CA GLU A 72 12.554 5.766 2.367 1.00 0.00 C ATOM 1136 C GLU A 72 12.198 6.335 3.728 1.00 0.00 C ATOM 1137 O GLU A 72 12.609 5.811 4.774 1.00 0.00 O ATOM 1138 CB GLU A 72 13.672 6.583 1.724 1.00 0.00 C ATOM 1139 CG GLU A 72 14.721 7.088 2.696 1.00 0.00 C ATOM 1140 CD GLU A 72 15.891 7.713 2.004 1.00 0.00 C ATOM 1141 OE1 GLU A 72 15.795 8.912 1.621 1.00 0.00 O ATOM 1142 OE2 GLU A 72 16.926 7.036 1.808 1.00 0.00 O ATOM 0 H GLU A 72 11.523 6.329 0.659 1.00 0.00 H new ATOM 0 HA GLU A 72 12.891 4.741 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.162 5.972 0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.231 7.437 1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.268 7.818 3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.068 6.259 3.313 1.00 0.00 H new ATOM 1149 N LYS A 73 11.412 7.363 3.719 1.00 0.00 N ATOM 1150 CA LYS A 73 11.122 8.071 4.921 1.00 0.00 C ATOM 1151 C LYS A 73 9.941 7.463 5.670 1.00 0.00 C ATOM 1152 O LYS A 73 10.032 7.214 6.873 1.00 0.00 O ATOM 1153 CB LYS A 73 10.888 9.541 4.615 1.00 0.00 C ATOM 1154 CG LYS A 73 12.094 10.212 3.998 1.00 0.00 C ATOM 1155 CD LYS A 73 11.831 11.666 3.672 1.00 0.00 C ATOM 1156 CE LYS A 73 13.104 12.362 3.229 1.00 0.00 C ATOM 1157 NZ LYS A 73 12.879 13.778 2.874 1.00 0.00 N ATOM 0 H LYS A 73 10.957 7.732 2.884 1.00 0.00 H new ATOM 0 HA LYS A 73 11.985 7.986 5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.040 9.635 3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.620 10.060 5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.938 10.142 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.377 9.682 3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.081 11.736 2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.422 12.171 4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.843 12.304 4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.521 11.837 2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.778 14.209 2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.194 13.836 2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.506 14.288 3.700 1.00 0.00 H new ATOM 1171 N ALA A 74 8.861 7.218 4.939 1.00 0.00 N ATOM 1172 CA ALA A 74 7.602 6.677 5.447 1.00 0.00 C ATOM 1173 C ALA A 74 7.070 7.533 6.587 1.00 0.00 C ATOM 1174 O ALA A 74 6.824 8.735 6.359 1.00 0.00 O ATOM 1175 CB ALA A 74 7.751 5.211 5.858 1.00 0.00 C ATOM 1176 OXT ALA A 74 6.893 7.029 7.711 1.00 0.00 O ATOM 0 H ALA A 74 8.835 7.397 3.935 1.00 0.00 H new ATOM 0 HA ALA A 74 6.869 6.708 4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.797 4.839 6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.058 4.621 4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.504 5.127 6.641 1.00 0.00 H new TER 1182 ALA A 74