USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 562 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 43 THR OG1 : rot 180:sc= 0.201 USER MOD Set 1.2: A 46 GLN : amide:sc= 0.734 K(o=0.94,f=-2.1) USER MOD Set 2.1: A 10 THR OG1 : rot -91:sc= 0.112 USER MOD Set 2.2: A 13 GLN : amide:sc= 0.621 K(o=0.73,f=-0.47) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.116 USER MOD Single : A 4 GLN : amide:sc= 0.821 K(o=0.82,f=-6.5!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.205 K(o=-0.21,f=-0.91) USER MOD Single : A 22 ASN : amide:sc= 1.22 K(o=1.2,f=-0.28) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.134 K(o=-0.13,f=-3.6!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -2.09! K(o=-2.1!,f=-0.16) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.178 USER MOD Single : A 32 THR OG1 : rot 160:sc= 0.0222 USER MOD Single : A 34 CYS SG : rot 74:sc= 0.882 USER MOD Single : A 47 THR OG1 : rot -140:sc= 0.0285 USER MOD Single : A 48 GLN : amide:sc= -0.445 K(o=-0.44,f=-1.4) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -2.96! K(o=-3!,f=-1.2) USER MOD Single : A 61 SER OG : rot 72:sc= 0.517 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -57:sc= 0.204 USER MOD Single : A 70 SER OG : rot 180:sc= 0.135 USER MOD Single : A 72 THR OG1 : rot 126:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.866 5.080 2.546 1.00 0.00 N ATOM 2 CA MET A 1 25.129 3.700 2.923 1.00 0.00 C ATOM 3 C MET A 1 23.811 2.962 3.099 1.00 0.00 C ATOM 4 O MET A 1 23.405 2.177 2.240 1.00 0.00 O ATOM 5 CB MET A 1 25.946 3.640 4.215 1.00 0.00 C ATOM 6 CG MET A 1 26.498 2.258 4.528 1.00 0.00 C ATOM 7 SD MET A 1 27.010 1.358 3.052 1.00 0.00 S ATOM 8 CE MET A 1 28.719 1.880 2.916 1.00 0.00 C ATOM 0 H1 MET A 1 25.767 5.585 2.426 1.00 0.00 H new ATOM 0 H2 MET A 1 24.336 5.100 1.652 1.00 0.00 H new ATOM 0 H3 MET A 1 24.307 5.543 3.291 1.00 0.00 H new ATOM 0 HA MET A 1 25.708 3.222 2.133 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.775 4.344 4.143 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.320 3.968 5.045 1.00 0.00 H new ATOM 0 HG2 MET A 1 27.349 2.356 5.202 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.739 1.680 5.055 1.00 0.00 H new ATOM 0 HE1 MET A 1 29.176 1.407 2.047 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.761 2.963 2.803 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.261 1.588 3.815 1.00 0.00 H new ATOM 18 N SER A 2 23.131 3.247 4.198 1.00 0.00 N ATOM 19 CA SER A 2 21.823 2.673 4.466 1.00 0.00 C ATOM 20 C SER A 2 20.743 3.445 3.704 1.00 0.00 C ATOM 21 O SER A 2 19.760 3.911 4.277 1.00 0.00 O ATOM 22 CB SER A 2 21.556 2.709 5.969 1.00 0.00 C ATOM 23 OG SER A 2 22.582 3.427 6.645 1.00 0.00 O ATOM 0 H SER A 2 23.468 3.879 4.925 1.00 0.00 H new ATOM 0 HA SER A 2 21.801 1.637 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.591 3.177 6.161 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.500 1.692 6.358 1.00 0.00 H new ATOM 0 HG SER A 2 22.393 3.441 7.606 1.00 0.00 H new ATOM 29 N ALA A 3 20.948 3.586 2.405 1.00 0.00 N ATOM 30 CA ALA A 3 20.041 4.347 1.564 1.00 0.00 C ATOM 31 C ALA A 3 19.228 3.420 0.671 1.00 0.00 C ATOM 32 O ALA A 3 19.782 2.693 -0.158 1.00 0.00 O ATOM 33 CB ALA A 3 20.824 5.352 0.731 1.00 0.00 C ATOM 0 H ALA A 3 21.741 3.180 1.908 1.00 0.00 H new ATOM 0 HA ALA A 3 19.345 4.891 2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 3 20.136 5.918 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 3 21.358 6.035 1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 3 21.539 4.823 0.101 1.00 0.00 H new ATOM 39 N GLN A 4 17.919 3.435 0.861 1.00 0.00 N ATOM 40 CA GLN A 4 17.015 2.633 0.050 1.00 0.00 C ATOM 41 C GLN A 4 16.831 3.273 -1.325 1.00 0.00 C ATOM 42 O GLN A 4 16.113 4.261 -1.485 1.00 0.00 O ATOM 43 CB GLN A 4 15.663 2.460 0.766 1.00 0.00 C ATOM 44 CG GLN A 4 15.017 3.770 1.212 1.00 0.00 C ATOM 45 CD GLN A 4 15.315 4.121 2.658 1.00 0.00 C ATOM 46 OE1 GLN A 4 16.467 4.111 3.091 1.00 0.00 O ATOM 47 NE2 GLN A 4 14.280 4.441 3.412 1.00 0.00 N ATOM 0 H GLN A 4 17.455 3.997 1.575 1.00 0.00 H new ATOM 0 HA GLN A 4 17.450 1.644 -0.091 1.00 0.00 H new ATOM 0 HB2 GLN A 4 14.976 1.938 0.100 1.00 0.00 H new ATOM 0 HB3 GLN A 4 15.806 1.823 1.639 1.00 0.00 H new ATOM 0 HG2 GLN A 4 15.367 4.578 0.569 1.00 0.00 H new ATOM 0 HG3 GLN A 4 13.938 3.700 1.077 1.00 0.00 H new ATOM 0 HE21 GLN A 4 13.340 4.438 3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 4 14.420 4.692 4.391 1.00 0.00 H new ATOM 56 N THR A 5 17.513 2.721 -2.313 1.00 0.00 N ATOM 57 CA THR A 5 17.448 3.240 -3.671 1.00 0.00 C ATOM 58 C THR A 5 16.734 2.253 -4.587 1.00 0.00 C ATOM 59 O THR A 5 15.851 2.632 -5.354 1.00 0.00 O ATOM 60 CB THR A 5 18.857 3.523 -4.221 1.00 0.00 C ATOM 61 OG1 THR A 5 19.815 3.444 -3.155 1.00 0.00 O ATOM 62 CG2 THR A 5 18.922 4.898 -4.870 1.00 0.00 C ATOM 0 H THR A 5 18.121 1.910 -2.201 1.00 0.00 H new ATOM 0 HA THR A 5 16.888 4.175 -3.642 1.00 0.00 H new ATOM 0 HB THR A 5 19.088 2.775 -4.979 1.00 0.00 H new ATOM 0 HG1 THR A 5 20.712 3.623 -3.507 1.00 0.00 H new ATOM 0 HG21 THR A 5 19.928 5.074 -5.251 1.00 0.00 H new ATOM 0 HG22 THR A 5 18.209 4.946 -5.693 1.00 0.00 H new ATOM 0 HG23 THR A 5 18.675 5.661 -4.132 1.00 0.00 H new ATOM 70 N VAL A 6 17.119 0.985 -4.493 1.00 0.00 N ATOM 71 CA VAL A 6 16.499 -0.064 -5.295 1.00 0.00 C ATOM 72 C VAL A 6 15.698 -1.010 -4.410 1.00 0.00 C ATOM 73 O VAL A 6 14.928 -1.843 -4.896 1.00 0.00 O ATOM 74 CB VAL A 6 17.536 -0.884 -6.095 1.00 0.00 C ATOM 75 CG1 VAL A 6 17.509 -0.494 -7.567 1.00 0.00 C ATOM 76 CG2 VAL A 6 18.935 -0.716 -5.516 1.00 0.00 C ATOM 0 H VAL A 6 17.857 0.658 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 6 15.840 0.436 -6.004 1.00 0.00 H new ATOM 0 HB VAL A 6 17.267 -1.937 -6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 6 18.246 -1.083 -8.113 1.00 0.00 H new ATOM 0 HG12 VAL A 6 16.517 -0.685 -7.976 1.00 0.00 H new ATOM 0 HG13 VAL A 6 17.744 0.566 -7.667 1.00 0.00 H new ATOM 0 HG21 VAL A 6 19.643 -1.304 -6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 6 19.220 0.335 -5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 6 18.944 -1.059 -4.481 1.00 0.00 H new ATOM 86 N SER A 7 15.891 -0.882 -3.107 1.00 0.00 N ATOM 87 CA SER A 7 15.167 -1.685 -2.138 1.00 0.00 C ATOM 88 C SER A 7 14.006 -0.887 -1.557 1.00 0.00 C ATOM 89 O SER A 7 14.121 0.324 -1.345 1.00 0.00 O ATOM 90 CB SER A 7 16.124 -2.131 -1.033 1.00 0.00 C ATOM 91 OG SER A 7 17.475 -1.900 -1.412 1.00 0.00 O ATOM 0 H SER A 7 16.550 -0.222 -2.694 1.00 0.00 H new ATOM 0 HA SER A 7 14.759 -2.568 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.902 -1.590 -0.113 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.976 -3.190 -0.823 1.00 0.00 H new ATOM 0 HG SER A 7 18.071 -2.191 -0.691 1.00 0.00 H new ATOM 97 N GLY A 8 12.893 -1.560 -1.316 1.00 0.00 N ATOM 98 CA GLY A 8 11.722 -0.886 -0.801 1.00 0.00 C ATOM 99 C GLY A 8 11.182 -1.544 0.449 1.00 0.00 C ATOM 100 O GLY A 8 11.937 -1.820 1.384 1.00 0.00 O ATOM 0 H GLY A 8 12.780 -2.562 -1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.970 0.153 -0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.946 -0.875 -1.567 1.00 0.00 H new ATOM 104 N PRO A 9 9.870 -1.826 0.487 1.00 0.00 N ATOM 105 CA PRO A 9 9.216 -2.409 1.656 1.00 0.00 C ATOM 106 C PRO A 9 9.633 -3.855 1.893 1.00 0.00 C ATOM 107 O PRO A 9 9.369 -4.740 1.072 1.00 0.00 O ATOM 108 CB PRO A 9 7.715 -2.334 1.325 1.00 0.00 C ATOM 109 CG PRO A 9 7.610 -1.465 0.113 1.00 0.00 C ATOM 110 CD PRO A 9 8.919 -1.599 -0.608 1.00 0.00 C ATOM 0 HA PRO A 9 9.486 -1.877 2.568 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.307 -3.326 1.132 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.151 -1.914 2.158 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.781 -1.779 -0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.423 -0.428 0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.909 -2.429 -1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.162 -0.701 -1.176 1.00 0.00 H new ATOM 118 N THR A 10 10.285 -4.080 3.017 1.00 0.00 N ATOM 119 CA THR A 10 10.714 -5.408 3.409 1.00 0.00 C ATOM 120 C THR A 10 9.546 -6.209 3.980 1.00 0.00 C ATOM 121 O THR A 10 8.424 -5.702 4.064 1.00 0.00 O ATOM 122 CB THR A 10 11.830 -5.302 4.455 1.00 0.00 C ATOM 123 OG1 THR A 10 11.648 -4.109 5.232 1.00 0.00 O ATOM 124 CG2 THR A 10 13.190 -5.267 3.781 1.00 0.00 C ATOM 0 H THR A 10 10.532 -3.348 3.683 1.00 0.00 H new ATOM 0 HA THR A 10 11.088 -5.926 2.526 1.00 0.00 H new ATOM 0 HB THR A 10 11.784 -6.175 5.106 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.140 -3.370 4.817 1.00 0.00 H new ATOM 0 HG21 THR A 10 13.970 -5.192 4.539 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.333 -6.180 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 10 13.245 -4.404 3.117 1.00 0.00 H new ATOM 132 N GLU A 11 9.813 -7.448 4.377 1.00 0.00 N ATOM 133 CA GLU A 11 8.790 -8.320 4.946 1.00 0.00 C ATOM 134 C GLU A 11 8.120 -7.660 6.147 1.00 0.00 C ATOM 135 O GLU A 11 6.894 -7.660 6.268 1.00 0.00 O ATOM 136 CB GLU A 11 9.413 -9.650 5.370 1.00 0.00 C ATOM 137 CG GLU A 11 9.303 -10.737 4.317 1.00 0.00 C ATOM 138 CD GLU A 11 7.905 -11.299 4.225 1.00 0.00 C ATOM 139 OE1 GLU A 11 7.569 -12.210 5.010 1.00 0.00 O ATOM 140 OE2 GLU A 11 7.129 -10.827 3.371 1.00 0.00 O ATOM 0 H GLU A 11 10.737 -7.875 4.315 1.00 0.00 H new ATOM 0 HA GLU A 11 8.033 -8.501 4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.465 -9.490 5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.930 -9.992 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.595 -10.333 3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.001 -11.540 4.551 1.00 0.00 H new ATOM 147 N ASP A 12 8.946 -7.096 7.020 1.00 0.00 N ATOM 148 CA ASP A 12 8.478 -6.410 8.222 1.00 0.00 C ATOM 149 C ASP A 12 7.616 -5.206 7.856 1.00 0.00 C ATOM 150 O ASP A 12 6.581 -4.949 8.472 1.00 0.00 O ATOM 151 CB ASP A 12 9.690 -5.956 9.040 1.00 0.00 C ATOM 152 CG ASP A 12 9.344 -5.576 10.464 1.00 0.00 C ATOM 153 OD1 ASP A 12 8.336 -6.079 10.999 1.00 0.00 O ATOM 154 OD2 ASP A 12 10.104 -4.788 11.067 1.00 0.00 O ATOM 0 H ASP A 12 9.961 -7.100 6.916 1.00 0.00 H new ATOM 0 HA ASP A 12 7.869 -7.096 8.810 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.430 -6.756 9.055 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.154 -5.102 8.546 1.00 0.00 H new ATOM 159 N GLN A 13 8.042 -4.489 6.828 1.00 0.00 N ATOM 160 CA GLN A 13 7.372 -3.285 6.392 1.00 0.00 C ATOM 161 C GLN A 13 6.040 -3.586 5.720 1.00 0.00 C ATOM 162 O GLN A 13 5.082 -2.824 5.857 1.00 0.00 O ATOM 163 CB GLN A 13 8.282 -2.519 5.446 1.00 0.00 C ATOM 164 CG GLN A 13 8.737 -1.206 6.033 1.00 0.00 C ATOM 165 CD GLN A 13 9.344 -1.341 7.407 1.00 0.00 C ATOM 166 OE1 GLN A 13 10.093 -2.276 7.688 1.00 0.00 O ATOM 167 NE2 GLN A 13 9.033 -0.398 8.275 1.00 0.00 N ATOM 0 H GLN A 13 8.864 -4.730 6.275 1.00 0.00 H new ATOM 0 HA GLN A 13 7.156 -2.678 7.271 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.153 -3.130 5.208 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.756 -2.334 4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.468 -0.752 5.364 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.887 -0.526 6.085 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.408 0.360 8.002 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.417 -0.427 9.219 1.00 0.00 H new ATOM 176 N VAL A 14 5.985 -4.694 4.993 1.00 0.00 N ATOM 177 CA VAL A 14 4.756 -5.124 4.338 1.00 0.00 C ATOM 178 C VAL A 14 3.638 -5.317 5.365 1.00 0.00 C ATOM 179 O VAL A 14 2.468 -5.069 5.076 1.00 0.00 O ATOM 180 CB VAL A 14 4.984 -6.427 3.536 1.00 0.00 C ATOM 181 CG1 VAL A 14 3.667 -7.080 3.138 1.00 0.00 C ATOM 182 CG2 VAL A 14 5.825 -6.138 2.304 1.00 0.00 C ATOM 0 H VAL A 14 6.781 -5.314 4.841 1.00 0.00 H new ATOM 0 HA VAL A 14 4.454 -4.343 3.640 1.00 0.00 H new ATOM 0 HB VAL A 14 5.516 -7.128 4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.868 -7.992 2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.096 -7.324 4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.092 -6.392 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.981 -7.061 1.745 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.309 -5.414 1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.789 -5.731 2.609 1.00 0.00 H new ATOM 192 N GLU A 15 4.015 -5.709 6.576 1.00 0.00 N ATOM 193 CA GLU A 15 3.049 -5.910 7.649 1.00 0.00 C ATOM 194 C GLU A 15 2.420 -4.579 8.052 1.00 0.00 C ATOM 195 O GLU A 15 1.200 -4.454 8.161 1.00 0.00 O ATOM 196 CB GLU A 15 3.726 -6.560 8.855 1.00 0.00 C ATOM 197 CG GLU A 15 3.110 -7.890 9.249 1.00 0.00 C ATOM 198 CD GLU A 15 1.819 -7.725 10.022 1.00 0.00 C ATOM 199 OE1 GLU A 15 1.876 -7.324 11.205 1.00 0.00 O ATOM 200 OE2 GLU A 15 0.742 -8.001 9.454 1.00 0.00 O ATOM 0 H GLU A 15 4.983 -5.894 6.840 1.00 0.00 H new ATOM 0 HA GLU A 15 2.262 -6.573 7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.782 -6.709 8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.672 -5.878 9.703 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.920 -8.479 8.352 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.822 -8.452 9.853 1.00 0.00 H new ATOM 207 N ILE A 16 3.271 -3.579 8.248 1.00 0.00 N ATOM 208 CA ILE A 16 2.832 -2.241 8.612 1.00 0.00 C ATOM 209 C ILE A 16 2.001 -1.625 7.484 1.00 0.00 C ATOM 210 O ILE A 16 1.049 -0.874 7.721 1.00 0.00 O ATOM 211 CB ILE A 16 4.057 -1.347 8.913 1.00 0.00 C ATOM 212 CG1 ILE A 16 4.887 -1.949 10.051 1.00 0.00 C ATOM 213 CG2 ILE A 16 3.633 0.069 9.260 1.00 0.00 C ATOM 214 CD1 ILE A 16 6.330 -1.499 10.056 1.00 0.00 C ATOM 0 H ILE A 16 4.283 -3.674 8.159 1.00 0.00 H new ATOM 0 HA ILE A 16 2.211 -2.309 9.505 1.00 0.00 H new ATOM 0 HB ILE A 16 4.671 -1.302 8.013 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.429 -1.681 11.003 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.855 -3.036 9.976 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.516 0.673 9.466 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.086 0.501 8.422 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.992 0.051 10.141 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.854 -1.966 10.890 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.805 -1.791 9.119 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.373 -0.415 10.163 1.00 0.00 H new ATOM 226 N LEU A 17 2.370 -1.966 6.259 1.00 0.00 N ATOM 227 CA LEU A 17 1.692 -1.468 5.073 1.00 0.00 C ATOM 228 C LEU A 17 0.314 -2.102 4.922 1.00 0.00 C ATOM 229 O LEU A 17 -0.677 -1.401 4.718 1.00 0.00 O ATOM 230 CB LEU A 17 2.538 -1.771 3.835 1.00 0.00 C ATOM 231 CG LEU A 17 3.065 -0.552 3.075 1.00 0.00 C ATOM 232 CD1 LEU A 17 3.126 0.670 3.971 1.00 0.00 C ATOM 233 CD2 LEU A 17 4.434 -0.850 2.493 1.00 0.00 C ATOM 0 H LEU A 17 3.147 -2.595 6.059 1.00 0.00 H new ATOM 0 HA LEU A 17 1.562 -0.391 5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.388 -2.381 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.942 -2.374 3.149 1.00 0.00 H new ATOM 0 HG LEU A 17 2.373 -0.335 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.504 1.520 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.127 0.898 4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.790 0.472 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.799 0.025 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.126 -1.095 3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.362 -1.694 1.807 1.00 0.00 H new ATOM 245 N GLU A 18 0.262 -3.426 5.029 1.00 0.00 N ATOM 246 CA GLU A 18 -0.985 -4.164 4.866 1.00 0.00 C ATOM 247 C GLU A 18 -2.025 -3.717 5.888 1.00 0.00 C ATOM 248 O GLU A 18 -3.169 -3.430 5.527 1.00 0.00 O ATOM 249 CB GLU A 18 -0.739 -5.671 4.989 1.00 0.00 C ATOM 250 CG GLU A 18 -1.696 -6.515 4.160 1.00 0.00 C ATOM 251 CD GLU A 18 -2.973 -6.846 4.905 1.00 0.00 C ATOM 252 OE1 GLU A 18 -2.936 -6.923 6.149 1.00 0.00 O ATOM 253 OE2 GLU A 18 -4.021 -7.033 4.250 1.00 0.00 O ATOM 0 H GLU A 18 1.073 -4.012 5.229 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.371 -3.951 3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.284 -5.890 4.682 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.827 -5.961 6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.943 -5.982 3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.199 -7.440 3.868 1.00 0.00 H new ATOM 260 N TYR A 19 -1.616 -3.641 7.155 1.00 0.00 N ATOM 261 CA TYR A 19 -2.508 -3.207 8.225 1.00 0.00 C ATOM 262 C TYR A 19 -3.124 -1.855 7.885 1.00 0.00 C ATOM 263 O TYR A 19 -4.321 -1.643 8.062 1.00 0.00 O ATOM 264 CB TYR A 19 -1.746 -3.123 9.559 1.00 0.00 C ATOM 265 CG TYR A 19 -2.266 -2.058 10.509 1.00 0.00 C ATOM 266 CD1 TYR A 19 -3.463 -2.232 11.194 1.00 0.00 C ATOM 267 CD2 TYR A 19 -1.565 -0.871 10.707 1.00 0.00 C ATOM 268 CE1 TYR A 19 -3.943 -1.260 12.051 1.00 0.00 C ATOM 269 CE2 TYR A 19 -2.040 0.105 11.564 1.00 0.00 C ATOM 270 CZ TYR A 19 -3.231 -0.093 12.232 1.00 0.00 C ATOM 271 OH TYR A 19 -3.710 0.878 13.087 1.00 0.00 O ATOM 0 H TYR A 19 -0.672 -3.875 7.463 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.308 -3.941 8.327 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.797 -4.092 10.055 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.694 -2.926 9.352 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.027 -3.142 11.054 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.635 -0.710 10.182 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.873 -1.414 12.578 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.481 1.018 11.710 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.089 1.636 13.102 1.00 0.00 H new ATOM 281 N ASN A 20 -2.296 -0.951 7.377 1.00 0.00 N ATOM 282 CA ASN A 20 -2.742 0.393 7.041 1.00 0.00 C ATOM 283 C ASN A 20 -3.680 0.370 5.842 1.00 0.00 C ATOM 284 O ASN A 20 -4.840 0.767 5.943 1.00 0.00 O ATOM 285 CB ASN A 20 -1.543 1.285 6.725 1.00 0.00 C ATOM 286 CG ASN A 20 -1.159 2.182 7.879 1.00 0.00 C ATOM 287 OD1 ASN A 20 -1.847 3.153 8.188 1.00 0.00 O ATOM 288 ND2 ASN A 20 -0.050 1.859 8.522 1.00 0.00 N ATOM 0 H ASN A 20 -1.309 -1.126 7.189 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.278 0.793 7.902 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.691 0.659 6.458 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.773 1.899 5.854 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.266 2.425 9.310 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.490 1.044 8.231 1.00 0.00 H new ATOM 295 N PHE A 21 -3.170 -0.137 4.724 1.00 0.00 N ATOM 296 CA PHE A 21 -3.878 -0.116 3.445 1.00 0.00 C ATOM 297 C PHE A 21 -5.256 -0.771 3.548 1.00 0.00 C ATOM 298 O PHE A 21 -6.235 -0.266 3.001 1.00 0.00 O ATOM 299 CB PHE A 21 -3.014 -0.818 2.388 1.00 0.00 C ATOM 300 CG PHE A 21 -3.741 -1.242 1.143 1.00 0.00 C ATOM 301 CD1 PHE A 21 -3.907 -0.359 0.092 1.00 0.00 C ATOM 302 CD2 PHE A 21 -4.238 -2.532 1.015 1.00 0.00 C ATOM 303 CE1 PHE A 21 -4.562 -0.745 -1.060 1.00 0.00 C ATOM 304 CE2 PHE A 21 -4.893 -2.924 -0.136 1.00 0.00 C ATOM 305 CZ PHE A 21 -5.054 -2.029 -1.177 1.00 0.00 C ATOM 0 H PHE A 21 -2.251 -0.576 4.678 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.046 0.921 3.153 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.201 -0.149 2.104 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.559 -1.699 2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.519 0.646 0.174 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.111 -3.236 1.824 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.689 -0.042 -1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.279 -3.929 -0.223 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.563 -2.334 -2.079 1.00 0.00 H new ATOM 315 N ASN A 22 -5.334 -1.881 4.267 1.00 0.00 N ATOM 316 CA ASN A 22 -6.585 -2.624 4.371 1.00 0.00 C ATOM 317 C ASN A 22 -7.517 -2.013 5.415 1.00 0.00 C ATOM 318 O ASN A 22 -8.663 -2.438 5.560 1.00 0.00 O ATOM 319 CB ASN A 22 -6.311 -4.091 4.709 1.00 0.00 C ATOM 320 CG ASN A 22 -7.090 -5.040 3.820 1.00 0.00 C ATOM 321 OD1 ASN A 22 -8.237 -4.775 3.460 1.00 0.00 O ATOM 322 ND2 ASN A 22 -6.474 -6.154 3.463 1.00 0.00 N ATOM 0 H ASN A 22 -4.554 -2.286 4.784 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.081 -2.567 3.402 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.245 -4.293 4.606 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.571 -4.276 5.751 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.950 -6.832 2.867 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.523 -6.336 3.783 1.00 0.00 H new ATOM 329 N LYS A 23 -7.028 -1.012 6.134 1.00 0.00 N ATOM 330 CA LYS A 23 -7.815 -0.376 7.180 1.00 0.00 C ATOM 331 C LYS A 23 -8.342 0.984 6.730 1.00 0.00 C ATOM 332 O LYS A 23 -9.544 1.147 6.523 1.00 0.00 O ATOM 333 CB LYS A 23 -6.987 -0.215 8.454 1.00 0.00 C ATOM 334 CG LYS A 23 -7.400 -1.154 9.575 1.00 0.00 C ATOM 335 CD LYS A 23 -8.239 -0.443 10.624 1.00 0.00 C ATOM 336 CE LYS A 23 -7.370 0.352 11.584 1.00 0.00 C ATOM 337 NZ LYS A 23 -8.171 1.303 12.395 1.00 0.00 N ATOM 0 H LYS A 23 -6.093 -0.624 6.012 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.668 -1.023 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.937 -0.386 8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.072 0.814 8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.966 -1.988 9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.510 -1.574 10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.947 0.225 10.134 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.824 -1.175 11.181 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.839 -0.333 12.246 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.615 0.901 11.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.543 1.826 13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.658 1.972 11.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.875 0.777 12.952 1.00 0.00 H new ATOM 351 N VAL A 24 -7.437 1.946 6.559 1.00 0.00 N ATOM 352 CA VAL A 24 -7.825 3.330 6.283 1.00 0.00 C ATOM 353 C VAL A 24 -8.543 3.467 4.941 1.00 0.00 C ATOM 354 O VAL A 24 -9.735 3.783 4.895 1.00 0.00 O ATOM 355 CB VAL A 24 -6.605 4.299 6.335 1.00 0.00 C ATOM 356 CG1 VAL A 24 -5.365 3.685 5.702 1.00 0.00 C ATOM 357 CG2 VAL A 24 -6.921 5.633 5.670 1.00 0.00 C ATOM 0 H VAL A 24 -6.430 1.794 6.607 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.521 3.612 7.073 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.396 4.477 7.390 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.538 4.393 5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.098 2.772 6.235 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.569 3.449 4.658 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.048 6.283 5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.183 5.466 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.758 6.106 6.183 1.00 0.00 H new ATOM 367 N ASN A 25 -7.823 3.205 3.865 1.00 0.00 N ATOM 368 CA ASN A 25 -8.319 3.464 2.523 1.00 0.00 C ATOM 369 C ASN A 25 -7.341 2.888 1.509 1.00 0.00 C ATOM 370 O ASN A 25 -6.128 2.953 1.709 1.00 0.00 O ATOM 371 CB ASN A 25 -8.490 4.980 2.329 1.00 0.00 C ATOM 372 CG ASN A 25 -8.769 5.405 0.899 1.00 0.00 C ATOM 373 OD1 ASN A 25 -9.358 4.669 0.106 1.00 0.00 O ATOM 374 ND2 ASN A 25 -8.346 6.612 0.570 1.00 0.00 N ATOM 0 H ASN A 25 -6.883 2.809 3.895 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.288 2.987 2.378 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.307 5.325 2.963 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.586 5.482 2.674 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.503 6.968 -0.373 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.862 7.188 1.259 1.00 0.00 H new ATOM 381 N LYS A 26 -7.869 2.320 0.436 1.00 0.00 N ATOM 382 CA LYS A 26 -7.045 1.646 -0.556 1.00 0.00 C ATOM 383 C LYS A 26 -6.311 2.653 -1.444 1.00 0.00 C ATOM 384 O LYS A 26 -5.296 2.332 -2.060 1.00 0.00 O ATOM 385 CB LYS A 26 -7.907 0.718 -1.414 1.00 0.00 C ATOM 386 CG LYS A 26 -8.879 -0.139 -0.610 1.00 0.00 C ATOM 387 CD LYS A 26 -8.155 -0.996 0.416 1.00 0.00 C ATOM 388 CE LYS A 26 -9.011 -2.164 0.877 1.00 0.00 C ATOM 389 NZ LYS A 26 -10.113 -1.732 1.776 1.00 0.00 N ATOM 0 H LYS A 26 -8.868 2.312 0.229 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.298 1.054 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.471 1.319 -2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.255 0.064 -1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.599 0.504 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.444 -0.780 -1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.227 -1.372 -0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.883 -0.383 1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.431 -2.670 0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.384 -2.889 1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.670 -2.561 2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.713 -1.272 2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.728 -1.060 1.274 1.00 0.00 H new ATOM 403 N HIS A 27 -6.833 3.869 -1.513 1.00 0.00 N ATOM 404 CA HIS A 27 -6.206 4.914 -2.308 1.00 0.00 C ATOM 405 C HIS A 27 -5.189 5.677 -1.470 1.00 0.00 C ATOM 406 O HIS A 27 -5.475 6.052 -0.333 1.00 0.00 O ATOM 407 CB HIS A 27 -7.260 5.875 -2.863 1.00 0.00 C ATOM 408 CG HIS A 27 -7.251 5.982 -4.358 1.00 0.00 C ATOM 409 ND1 HIS A 27 -8.367 5.773 -5.133 1.00 0.00 N ATOM 410 CD2 HIS A 27 -6.248 6.269 -5.220 1.00 0.00 C ATOM 411 CE1 HIS A 27 -8.055 5.926 -6.404 1.00 0.00 C ATOM 412 NE2 HIS A 27 -6.772 6.227 -6.488 1.00 0.00 N ATOM 0 H HIS A 27 -7.685 4.155 -1.031 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.690 4.445 -3.146 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.247 5.545 -2.537 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.097 6.865 -2.436 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.224 6.490 -4.958 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.734 5.823 -7.237 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.256 6.399 -7.351 1.00 0.00 H new ATOM 421 N PRO A 28 -3.978 5.890 -2.012 1.00 0.00 N ATOM 422 CA PRO A 28 -2.918 6.647 -1.332 1.00 0.00 C ATOM 423 C PRO A 28 -3.320 8.094 -1.059 1.00 0.00 C ATOM 424 O PRO A 28 -3.077 8.988 -1.874 1.00 0.00 O ATOM 425 CB PRO A 28 -1.742 6.593 -2.317 1.00 0.00 C ATOM 426 CG PRO A 28 -2.038 5.439 -3.212 1.00 0.00 C ATOM 427 CD PRO A 28 -3.532 5.381 -3.319 1.00 0.00 C ATOM 0 HA PRO A 28 -2.687 6.227 -0.353 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.660 7.520 -2.884 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.796 6.454 -1.794 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.580 5.576 -4.192 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.639 4.512 -2.801 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.902 5.996 -4.139 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.885 4.365 -3.498 1.00 0.00 H new ATOM 435 N ASP A 29 -3.945 8.313 0.090 1.00 0.00 N ATOM 436 CA ASP A 29 -4.391 9.642 0.483 1.00 0.00 C ATOM 437 C ASP A 29 -3.250 10.428 1.119 1.00 0.00 C ATOM 438 O ASP A 29 -2.392 9.853 1.794 1.00 0.00 O ATOM 439 CB ASP A 29 -5.553 9.547 1.471 1.00 0.00 C ATOM 440 CG ASP A 29 -6.895 9.879 0.847 1.00 0.00 C ATOM 441 OD1 ASP A 29 -6.960 10.076 -0.382 1.00 0.00 O ATOM 442 OD2 ASP A 29 -7.897 9.946 1.591 1.00 0.00 O ATOM 0 H ASP A 29 -4.155 7.582 0.770 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.724 10.162 -0.415 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.590 8.538 1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.369 10.225 2.305 1.00 0.00 H new ATOM 447 N PRO A 30 -3.241 11.757 0.937 1.00 0.00 N ATOM 448 CA PRO A 30 -2.173 12.623 1.447 1.00 0.00 C ATOM 449 C PRO A 30 -2.122 12.632 2.974 1.00 0.00 C ATOM 450 O PRO A 30 -1.051 12.761 3.569 1.00 0.00 O ATOM 451 CB PRO A 30 -2.543 14.013 0.916 1.00 0.00 C ATOM 452 CG PRO A 30 -4.002 13.943 0.631 1.00 0.00 C ATOM 453 CD PRO A 30 -4.280 12.523 0.227 1.00 0.00 C ATOM 0 HA PRO A 30 -1.188 12.284 1.126 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.321 14.787 1.650 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.977 14.255 0.017 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.584 14.219 1.510 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.277 14.636 -0.164 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.282 12.210 0.521 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.209 12.391 -0.853 1.00 0.00 H new ATOM 461 N THR A 31 -3.285 12.493 3.593 1.00 0.00 N ATOM 462 CA THR A 31 -3.396 12.465 5.041 1.00 0.00 C ATOM 463 C THR A 31 -2.643 11.273 5.622 1.00 0.00 C ATOM 464 O THR A 31 -1.871 11.410 6.571 1.00 0.00 O ATOM 465 CB THR A 31 -4.873 12.382 5.453 1.00 0.00 C ATOM 466 OG1 THR A 31 -5.694 12.416 4.275 1.00 0.00 O ATOM 467 CG2 THR A 31 -5.249 13.533 6.371 1.00 0.00 C ATOM 0 H THR A 31 -4.176 12.397 3.105 1.00 0.00 H new ATOM 0 HA THR A 31 -2.956 13.383 5.432 1.00 0.00 H new ATOM 0 HB THR A 31 -5.032 11.449 5.994 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.638 12.362 4.532 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.300 13.450 6.647 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.634 13.497 7.270 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.083 14.479 5.855 1.00 0.00 H new ATOM 475 N THR A 32 -2.864 10.112 5.025 1.00 0.00 N ATOM 476 CA THR A 32 -2.274 8.874 5.497 1.00 0.00 C ATOM 477 C THR A 32 -0.811 8.732 5.077 1.00 0.00 C ATOM 478 O THR A 32 0.039 8.397 5.899 1.00 0.00 O ATOM 479 CB THR A 32 -3.066 7.668 4.964 1.00 0.00 C ATOM 480 OG1 THR A 32 -4.439 8.042 4.765 1.00 0.00 O ATOM 481 CG2 THR A 32 -2.982 6.490 5.927 1.00 0.00 C ATOM 0 H THR A 32 -3.456 10.004 4.202 1.00 0.00 H new ATOM 0 HA THR A 32 -2.315 8.901 6.586 1.00 0.00 H new ATOM 0 HB THR A 32 -2.630 7.361 4.013 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.863 7.412 4.146 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.551 5.651 5.526 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.940 6.196 6.052 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.395 6.780 6.893 1.00 0.00 H new ATOM 489 N LEU A 33 -0.526 9.029 3.810 1.00 0.00 N ATOM 490 CA LEU A 33 0.766 8.706 3.203 1.00 0.00 C ATOM 491 C LEU A 33 1.944 9.263 3.994 1.00 0.00 C ATOM 492 O LEU A 33 2.760 8.505 4.514 1.00 0.00 O ATOM 493 CB LEU A 33 0.820 9.247 1.771 1.00 0.00 C ATOM 494 CG LEU A 33 0.136 8.382 0.713 1.00 0.00 C ATOM 495 CD1 LEU A 33 0.340 8.987 -0.666 1.00 0.00 C ATOM 496 CD2 LEU A 33 0.669 6.960 0.756 1.00 0.00 C ATOM 0 H LEU A 33 -1.177 9.496 3.179 1.00 0.00 H new ATOM 0 HA LEU A 33 0.852 7.619 3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.362 10.236 1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.865 9.376 1.489 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.932 8.350 0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.151 8.363 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.089 9.989 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.406 9.043 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.169 6.361 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.742 6.968 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.479 6.530 1.739 1.00 0.00 H new ATOM 508 N CYS A 34 2.014 10.576 4.107 1.00 0.00 N ATOM 509 CA CYS A 34 3.166 11.226 4.714 1.00 0.00 C ATOM 510 C CYS A 34 3.270 10.929 6.212 1.00 0.00 C ATOM 511 O CYS A 34 4.372 10.830 6.758 1.00 0.00 O ATOM 512 CB CYS A 34 3.089 12.732 4.469 1.00 0.00 C ATOM 513 SG CYS A 34 2.135 13.179 2.997 1.00 0.00 S ATOM 0 H CYS A 34 1.287 11.216 3.787 1.00 0.00 H new ATOM 0 HA CYS A 34 4.066 10.825 4.248 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.642 13.211 5.340 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.100 13.128 4.371 1.00 0.00 H new ATOM 0 HG CYS A 34 0.868 13.008 3.232 1.00 0.00 H new ATOM 519 N LEU A 35 2.129 10.757 6.870 1.00 0.00 N ATOM 520 CA LEU A 35 2.114 10.561 8.309 1.00 0.00 C ATOM 521 C LEU A 35 2.563 9.143 8.673 1.00 0.00 C ATOM 522 O LEU A 35 3.426 8.962 9.534 1.00 0.00 O ATOM 523 CB LEU A 35 0.719 10.878 8.877 1.00 0.00 C ATOM 524 CG LEU A 35 0.016 9.740 9.621 1.00 0.00 C ATOM 525 CD1 LEU A 35 0.320 9.797 11.111 1.00 0.00 C ATOM 526 CD2 LEU A 35 -1.485 9.793 9.386 1.00 0.00 C ATOM 0 H LEU A 35 1.209 10.750 6.430 1.00 0.00 H new ATOM 0 HA LEU A 35 2.825 11.251 8.762 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.810 11.726 9.556 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.079 11.196 8.054 1.00 0.00 H new ATOM 0 HG LEU A 35 0.396 8.796 9.229 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.191 8.978 11.618 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.395 9.706 11.267 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.026 10.748 11.517 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.966 8.976 9.923 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.876 10.744 9.746 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.690 9.697 8.320 1.00 0.00 H new ATOM 538 N ILE A 36 2.009 8.141 7.999 1.00 0.00 N ATOM 539 CA ILE A 36 2.323 6.759 8.334 1.00 0.00 C ATOM 540 C ILE A 36 3.673 6.351 7.764 1.00 0.00 C ATOM 541 O ILE A 36 4.320 5.455 8.295 1.00 0.00 O ATOM 542 CB ILE A 36 1.234 5.764 7.869 1.00 0.00 C ATOM 543 CG1 ILE A 36 1.247 5.601 6.347 1.00 0.00 C ATOM 544 CG2 ILE A 36 -0.137 6.211 8.351 1.00 0.00 C ATOM 545 CD1 ILE A 36 1.137 4.162 5.897 1.00 0.00 C ATOM 0 H ILE A 36 1.350 8.257 7.229 1.00 0.00 H new ATOM 0 HA ILE A 36 2.362 6.714 9.422 1.00 0.00 H new ATOM 0 HB ILE A 36 1.455 4.792 8.310 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.422 6.171 5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.168 6.029 5.951 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.891 5.499 8.015 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.142 6.258 9.440 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.362 7.197 7.944 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.152 4.119 4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.976 3.591 6.294 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.203 3.736 6.264 1.00 0.00 H new ATOM 557 N ALA A 37 4.103 7.010 6.690 1.00 0.00 N ATOM 558 CA ALA A 37 5.412 6.738 6.108 1.00 0.00 C ATOM 559 C ALA A 37 6.515 7.033 7.117 1.00 0.00 C ATOM 560 O ALA A 37 7.377 6.195 7.367 1.00 0.00 O ATOM 561 CB ALA A 37 5.621 7.556 4.843 1.00 0.00 C ATOM 0 H ALA A 37 3.566 7.732 6.209 1.00 0.00 H new ATOM 0 HA ALA A 37 5.454 5.681 5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.604 7.337 4.426 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.852 7.301 4.113 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.557 8.618 5.081 1.00 0.00 H new ATOM 567 N ALA A 38 6.462 8.218 7.714 1.00 0.00 N ATOM 568 CA ALA A 38 7.456 8.625 8.700 1.00 0.00 C ATOM 569 C ALA A 38 7.441 7.683 9.904 1.00 0.00 C ATOM 570 O ALA A 38 8.494 7.309 10.428 1.00 0.00 O ATOM 571 CB ALA A 38 7.203 10.061 9.140 1.00 0.00 C ATOM 0 H ALA A 38 5.740 8.915 7.532 1.00 0.00 H new ATOM 0 HA ALA A 38 8.443 8.570 8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.952 10.353 9.876 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.266 10.723 8.276 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.210 10.136 9.583 1.00 0.00 H new ATOM 577 N GLU A 39 6.241 7.283 10.314 1.00 0.00 N ATOM 578 CA GLU A 39 6.070 6.396 11.459 1.00 0.00 C ATOM 579 C GLU A 39 6.592 4.991 11.148 1.00 0.00 C ATOM 580 O GLU A 39 7.218 4.345 11.993 1.00 0.00 O ATOM 581 CB GLU A 39 4.589 6.333 11.853 1.00 0.00 C ATOM 582 CG GLU A 39 4.335 5.594 13.157 1.00 0.00 C ATOM 583 CD GLU A 39 3.404 4.414 12.983 1.00 0.00 C ATOM 584 OE1 GLU A 39 3.553 3.676 11.988 1.00 0.00 O ATOM 585 OE2 GLU A 39 2.518 4.219 13.837 1.00 0.00 O ATOM 0 H GLU A 39 5.368 7.562 9.867 1.00 0.00 H new ATOM 0 HA GLU A 39 6.648 6.796 12.292 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.202 7.348 11.939 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.030 5.845 11.054 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.284 5.247 13.565 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.909 6.284 13.885 1.00 0.00 H new ATOM 592 N ALA A 40 6.343 4.530 9.931 1.00 0.00 N ATOM 593 CA ALA A 40 6.717 3.182 9.523 1.00 0.00 C ATOM 594 C ALA A 40 8.115 3.135 8.915 1.00 0.00 C ATOM 595 O ALA A 40 8.468 2.167 8.252 1.00 0.00 O ATOM 596 CB ALA A 40 5.700 2.635 8.532 1.00 0.00 C ATOM 0 H ALA A 40 5.880 5.074 9.203 1.00 0.00 H new ATOM 0 HA ALA A 40 6.727 2.560 10.418 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.989 1.627 8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.716 2.607 8.999 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.666 3.278 7.653 1.00 0.00 H new ATOM 602 N GLY A 41 8.896 4.189 9.121 1.00 0.00 N ATOM 603 CA GLY A 41 10.266 4.217 8.623 1.00 0.00 C ATOM 604 C GLY A 41 10.343 4.120 7.108 1.00 0.00 C ATOM 605 O GLY A 41 11.360 3.698 6.551 1.00 0.00 O ATOM 0 H GLY A 41 8.608 5.028 9.624 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.748 5.139 8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.825 3.392 9.064 1.00 0.00 H new ATOM 609 N LEU A 42 9.263 4.508 6.450 1.00 0.00 N ATOM 610 CA LEU A 42 9.161 4.449 5.005 1.00 0.00 C ATOM 611 C LEU A 42 9.222 5.854 4.420 1.00 0.00 C ATOM 612 O LEU A 42 9.369 6.833 5.156 1.00 0.00 O ATOM 613 CB LEU A 42 7.849 3.778 4.614 1.00 0.00 C ATOM 614 CG LEU A 42 7.940 2.276 4.385 1.00 0.00 C ATOM 615 CD1 LEU A 42 7.031 1.557 5.357 1.00 0.00 C ATOM 616 CD2 LEU A 42 7.576 1.921 2.955 1.00 0.00 C ATOM 0 H LEU A 42 8.429 4.875 6.908 1.00 0.00 H new ATOM 0 HA LEU A 42 9.994 3.868 4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.114 3.968 5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.475 4.247 3.704 1.00 0.00 H new ATOM 0 HG LEU A 42 8.969 1.959 4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.098 0.482 5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.336 1.786 6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.003 1.884 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.649 0.842 2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.556 2.245 2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.261 2.421 2.270 1.00 0.00 H new ATOM 628 N THR A 43 9.115 5.958 3.108 1.00 0.00 N ATOM 629 CA THR A 43 9.033 7.257 2.461 1.00 0.00 C ATOM 630 C THR A 43 7.728 7.382 1.686 1.00 0.00 C ATOM 631 O THR A 43 7.060 6.380 1.418 1.00 0.00 O ATOM 632 CB THR A 43 10.217 7.512 1.511 1.00 0.00 C ATOM 633 OG1 THR A 43 10.882 6.281 1.204 1.00 0.00 O ATOM 634 CG2 THR A 43 11.208 8.490 2.125 1.00 0.00 C ATOM 0 H THR A 43 9.083 5.162 2.470 1.00 0.00 H new ATOM 0 HA THR A 43 9.069 8.007 3.251 1.00 0.00 H new ATOM 0 HB THR A 43 9.823 7.947 0.593 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.632 6.457 0.598 1.00 0.00 H new ATOM 0 HG21 THR A 43 12.035 8.653 1.433 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.708 9.438 2.323 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.592 8.081 3.059 1.00 0.00 H new ATOM 642 N GLU A 44 7.384 8.610 1.325 1.00 0.00 N ATOM 643 CA GLU A 44 6.116 8.910 0.670 1.00 0.00 C ATOM 644 C GLU A 44 5.924 8.084 -0.602 1.00 0.00 C ATOM 645 O GLU A 44 4.876 7.463 -0.802 1.00 0.00 O ATOM 646 CB GLU A 44 6.058 10.399 0.339 1.00 0.00 C ATOM 647 CG GLU A 44 6.010 11.294 1.571 1.00 0.00 C ATOM 648 CD GLU A 44 6.906 12.512 1.452 1.00 0.00 C ATOM 649 OE1 GLU A 44 6.947 13.123 0.363 1.00 0.00 O ATOM 650 OE2 GLU A 44 7.564 12.873 2.451 1.00 0.00 O ATOM 0 H GLU A 44 7.975 9.427 1.477 1.00 0.00 H new ATOM 0 HA GLU A 44 5.310 8.648 1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.930 10.664 -0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.179 10.593 -0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.983 11.620 1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.307 10.715 2.446 1.00 0.00 H new ATOM 657 N GLU A 45 6.943 8.076 -1.452 1.00 0.00 N ATOM 658 CA GLU A 45 6.898 7.336 -2.709 1.00 0.00 C ATOM 659 C GLU A 45 6.713 5.845 -2.454 1.00 0.00 C ATOM 660 O GLU A 45 5.894 5.197 -3.102 1.00 0.00 O ATOM 661 CB GLU A 45 8.178 7.565 -3.518 1.00 0.00 C ATOM 662 CG GLU A 45 8.701 8.991 -3.459 1.00 0.00 C ATOM 663 CD GLU A 45 9.662 9.206 -2.310 1.00 0.00 C ATOM 664 OE1 GLU A 45 9.197 9.545 -1.202 1.00 0.00 O ATOM 665 OE2 GLU A 45 10.880 9.025 -2.511 1.00 0.00 O ATOM 0 H GLU A 45 7.817 8.577 -1.293 1.00 0.00 H new ATOM 0 HA GLU A 45 6.046 7.704 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.952 6.890 -3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.990 7.301 -4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.201 9.231 -4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.861 9.679 -3.361 1.00 0.00 H new ATOM 672 N GLN A 46 7.469 5.318 -1.500 1.00 0.00 N ATOM 673 CA GLN A 46 7.403 3.907 -1.141 1.00 0.00 C ATOM 674 C GLN A 46 5.984 3.487 -0.778 1.00 0.00 C ATOM 675 O GLN A 46 5.451 2.523 -1.328 1.00 0.00 O ATOM 676 CB GLN A 46 8.315 3.639 0.046 1.00 0.00 C ATOM 677 CG GLN A 46 9.791 3.691 -0.283 1.00 0.00 C ATOM 678 CD GLN A 46 10.608 2.878 0.696 1.00 0.00 C ATOM 679 OE1 GLN A 46 10.638 1.655 0.629 1.00 0.00 O ATOM 680 NE2 GLN A 46 11.264 3.553 1.624 1.00 0.00 N ATOM 0 H GLN A 46 8.143 5.854 -0.954 1.00 0.00 H new ATOM 0 HA GLN A 46 7.724 3.328 -2.007 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.102 4.370 0.826 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.080 2.657 0.456 1.00 0.00 H new ATOM 0 HG2 GLN A 46 9.953 3.315 -1.293 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.131 4.726 -0.270 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.213 4.572 1.646 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.821 3.055 2.319 1.00 0.00 H new ATOM 689 N THR A 47 5.379 4.216 0.151 1.00 0.00 N ATOM 690 CA THR A 47 4.045 3.891 0.629 1.00 0.00 C ATOM 691 C THR A 47 3.016 3.991 -0.491 1.00 0.00 C ATOM 692 O THR A 47 2.182 3.104 -0.658 1.00 0.00 O ATOM 693 CB THR A 47 3.639 4.821 1.784 1.00 0.00 C ATOM 694 OG1 THR A 47 4.786 5.119 2.590 1.00 0.00 O ATOM 695 CG2 THR A 47 2.563 4.182 2.645 1.00 0.00 C ATOM 0 H THR A 47 5.794 5.039 0.589 1.00 0.00 H new ATOM 0 HA THR A 47 4.070 2.862 0.988 1.00 0.00 H new ATOM 0 HB THR A 47 3.238 5.741 1.359 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.530 5.118 3.536 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.294 4.861 3.454 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.683 3.978 2.035 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.939 3.249 3.064 1.00 0.00 H new ATOM 703 N GLN A 48 3.099 5.059 -1.272 1.00 0.00 N ATOM 704 CA GLN A 48 2.150 5.291 -2.353 1.00 0.00 C ATOM 705 C GLN A 48 2.296 4.230 -3.446 1.00 0.00 C ATOM 706 O GLN A 48 1.301 3.690 -3.937 1.00 0.00 O ATOM 707 CB GLN A 48 2.356 6.699 -2.927 1.00 0.00 C ATOM 708 CG GLN A 48 1.687 6.935 -4.271 1.00 0.00 C ATOM 709 CD GLN A 48 2.583 7.693 -5.227 1.00 0.00 C ATOM 710 OE1 GLN A 48 3.011 7.158 -6.249 1.00 0.00 O ATOM 711 NE2 GLN A 48 2.877 8.940 -4.901 1.00 0.00 N ATOM 0 H GLN A 48 3.815 5.780 -1.177 1.00 0.00 H new ATOM 0 HA GLN A 48 1.138 5.216 -1.955 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.975 7.428 -2.212 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.425 6.883 -3.030 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.414 5.977 -4.713 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.762 7.492 -4.122 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.501 9.345 -4.044 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.480 9.497 -5.507 1.00 0.00 H new ATOM 720 N LYS A 49 3.541 3.917 -3.801 1.00 0.00 N ATOM 721 CA LYS A 49 3.825 2.936 -4.846 1.00 0.00 C ATOM 722 C LYS A 49 3.332 1.552 -4.440 1.00 0.00 C ATOM 723 O LYS A 49 2.957 0.739 -5.291 1.00 0.00 O ATOM 724 CB LYS A 49 5.327 2.887 -5.141 1.00 0.00 C ATOM 725 CG LYS A 49 5.728 3.612 -6.416 1.00 0.00 C ATOM 726 CD LYS A 49 5.517 5.113 -6.294 1.00 0.00 C ATOM 727 CE LYS A 49 6.447 5.885 -7.214 1.00 0.00 C ATOM 728 NZ LYS A 49 6.038 5.770 -8.638 1.00 0.00 N ATOM 0 H LYS A 49 4.372 4.331 -3.378 1.00 0.00 H new ATOM 0 HA LYS A 49 3.296 3.243 -5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.867 3.324 -4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.639 1.845 -5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.775 3.408 -6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.144 3.228 -7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.482 5.356 -6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.686 5.422 -5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.456 6.935 -6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.465 5.513 -7.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.698 6.310 -9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.053 4.770 -8.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.076 6.149 -8.755 1.00 0.00 H new ATOM 742 N TRP A 50 3.346 1.283 -3.143 1.00 0.00 N ATOM 743 CA TRP A 50 2.861 0.013 -2.631 1.00 0.00 C ATOM 744 C TRP A 50 1.337 0.017 -2.553 1.00 0.00 C ATOM 745 O TRP A 50 0.687 -0.903 -3.043 1.00 0.00 O ATOM 746 CB TRP A 50 3.469 -0.286 -1.257 1.00 0.00 C ATOM 747 CG TRP A 50 3.091 -1.638 -0.732 1.00 0.00 C ATOM 748 CD1 TRP A 50 3.772 -2.809 -0.898 1.00 0.00 C ATOM 749 CD2 TRP A 50 1.933 -1.956 0.041 1.00 0.00 C ATOM 750 NE1 TRP A 50 3.105 -3.831 -0.272 1.00 0.00 N ATOM 751 CE2 TRP A 50 1.973 -3.333 0.307 1.00 0.00 C ATOM 752 CE3 TRP A 50 0.869 -1.205 0.530 1.00 0.00 C ATOM 753 CZ2 TRP A 50 0.983 -3.977 1.038 1.00 0.00 C ATOM 754 CZ3 TRP A 50 -0.111 -1.838 1.257 1.00 0.00 C ATOM 755 CH2 TRP A 50 -0.052 -3.213 1.507 1.00 0.00 C ATOM 0 H TRP A 50 3.687 1.926 -2.429 1.00 0.00 H new ATOM 0 HA TRP A 50 3.170 -0.774 -3.319 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.555 -0.219 -1.324 1.00 0.00 H new ATOM 0 HB3 TRP A 50 3.145 0.477 -0.549 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.699 -2.915 -1.442 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.406 -4.805 -0.244 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.814 -0.143 0.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.028 -5.039 1.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.941 -1.264 1.642 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.838 -3.681 2.081 1.00 0.00 H new ATOM 766 N PHE A 51 0.775 1.073 -1.962 1.00 0.00 N ATOM 767 CA PHE A 51 -0.678 1.182 -1.775 1.00 0.00 C ATOM 768 C PHE A 51 -1.405 1.018 -3.110 1.00 0.00 C ATOM 769 O PHE A 51 -2.349 0.237 -3.230 1.00 0.00 O ATOM 770 CB PHE A 51 -1.041 2.548 -1.174 1.00 0.00 C ATOM 771 CG PHE A 51 -1.237 2.545 0.321 1.00 0.00 C ATOM 772 CD1 PHE A 51 -0.228 2.117 1.164 1.00 0.00 C ATOM 773 CD2 PHE A 51 -2.430 2.985 0.880 1.00 0.00 C ATOM 774 CE1 PHE A 51 -0.400 2.119 2.535 1.00 0.00 C ATOM 775 CE2 PHE A 51 -2.609 2.992 2.253 1.00 0.00 C ATOM 776 CZ PHE A 51 -1.590 2.558 3.080 1.00 0.00 C ATOM 0 H PHE A 51 1.303 1.868 -1.603 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.988 0.390 -1.093 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.254 3.260 -1.422 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.956 2.906 -1.646 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.707 1.776 0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.227 3.326 0.236 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.396 1.777 3.180 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.541 3.335 2.676 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.725 2.562 4.152 1.00 0.00 H new ATOM 786 N LYS A 52 -0.925 1.736 -4.118 1.00 0.00 N ATOM 787 CA LYS A 52 -1.547 1.728 -5.436 1.00 0.00 C ATOM 788 C LYS A 52 -1.399 0.368 -6.119 1.00 0.00 C ATOM 789 O LYS A 52 -2.258 -0.037 -6.901 1.00 0.00 O ATOM 790 CB LYS A 52 -0.939 2.825 -6.312 1.00 0.00 C ATOM 791 CG LYS A 52 -1.956 3.847 -6.795 1.00 0.00 C ATOM 792 CD LYS A 52 -2.182 3.737 -8.294 1.00 0.00 C ATOM 793 CE LYS A 52 -3.384 2.864 -8.617 1.00 0.00 C ATOM 794 NZ LYS A 52 -3.433 2.497 -10.054 1.00 0.00 N ATOM 0 H LYS A 52 -0.102 2.334 -4.047 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.612 1.921 -5.303 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.159 3.338 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.459 2.365 -7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.900 3.699 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.610 4.851 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.331 4.732 -8.714 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.292 3.321 -8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.347 1.958 -8.012 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.299 3.391 -8.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.267 1.902 -10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.494 3.360 -10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.572 1.971 -10.308 1.00 0.00 H new ATOM 808 N GLN A 53 -0.319 -0.340 -5.809 1.00 0.00 N ATOM 809 CA GLN A 53 -0.053 -1.627 -6.444 1.00 0.00 C ATOM 810 C GLN A 53 -0.963 -2.712 -5.870 1.00 0.00 C ATOM 811 O GLN A 53 -1.368 -3.631 -6.581 1.00 0.00 O ATOM 812 CB GLN A 53 1.433 -2.005 -6.306 1.00 0.00 C ATOM 813 CG GLN A 53 1.727 -3.075 -5.262 1.00 0.00 C ATOM 814 CD GLN A 53 3.208 -3.227 -4.969 1.00 0.00 C ATOM 815 OE1 GLN A 53 3.710 -4.340 -4.794 1.00 0.00 O ATOM 816 NE2 GLN A 53 3.918 -2.110 -4.908 1.00 0.00 N ATOM 0 H GLN A 53 0.382 -0.049 -5.128 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.274 -1.540 -7.508 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.796 -2.352 -7.273 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.000 -1.108 -6.056 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.203 -2.827 -4.339 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.331 -4.030 -5.607 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.465 -1.209 -5.059 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.918 -2.151 -4.710 1.00 0.00 H new ATOM 825 N ARG A 54 -1.304 -2.594 -4.588 1.00 0.00 N ATOM 826 CA ARG A 54 -2.185 -3.572 -3.953 1.00 0.00 C ATOM 827 C ARG A 54 -3.642 -3.281 -4.289 1.00 0.00 C ATOM 828 O ARG A 54 -4.501 -4.144 -4.128 1.00 0.00 O ATOM 829 CB ARG A 54 -2.006 -3.602 -2.433 1.00 0.00 C ATOM 830 CG ARG A 54 -0.573 -3.424 -1.968 1.00 0.00 C ATOM 831 CD ARG A 54 0.314 -4.612 -2.323 1.00 0.00 C ATOM 832 NE ARG A 54 -0.142 -5.858 -1.723 1.00 0.00 N ATOM 833 CZ ARG A 54 -0.257 -7.004 -2.392 1.00 0.00 C ATOM 834 NH1 ARG A 54 0.085 -7.073 -3.676 1.00 0.00 N ATOM 835 NH2 ARG A 54 -0.702 -8.087 -1.769 1.00 0.00 N ATOM 0 H ARG A 54 -0.989 -1.842 -3.976 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.909 -4.551 -4.346 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.619 -2.816 -1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.383 -4.552 -2.053 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.160 -2.521 -2.417 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.562 -3.278 -0.888 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.344 -4.726 -3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.334 -4.409 -1.996 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.388 -5.853 -0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.438 -6.245 -4.155 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.006 -7.954 -4.181 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.954 -8.040 -0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.792 -8.967 -2.277 1.00 0.00 H new ATOM 849 N LEU A 55 -3.912 -2.060 -4.739 1.00 0.00 N ATOM 850 CA LEU A 55 -5.263 -1.662 -5.133 1.00 0.00 C ATOM 851 C LEU A 55 -5.836 -2.630 -6.167 1.00 0.00 C ATOM 852 O LEU A 55 -6.959 -3.122 -6.024 1.00 0.00 O ATOM 853 CB LEU A 55 -5.244 -0.247 -5.713 1.00 0.00 C ATOM 854 CG LEU A 55 -6.020 0.799 -4.912 1.00 0.00 C ATOM 855 CD1 LEU A 55 -5.606 2.200 -5.331 1.00 0.00 C ATOM 856 CD2 LEU A 55 -7.517 0.608 -5.098 1.00 0.00 C ATOM 0 H LEU A 55 -3.212 -1.325 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.896 -1.684 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.207 0.079 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.650 -0.281 -6.724 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.785 0.670 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.167 2.934 -4.752 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.539 2.334 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.814 2.339 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.054 1.361 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.769 0.712 -6.153 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.803 -0.386 -4.753 1.00 0.00 H new ATOM 868 N ALA A 56 -5.050 -2.909 -7.201 1.00 0.00 N ATOM 869 CA ALA A 56 -5.464 -3.819 -8.259 1.00 0.00 C ATOM 870 C ALA A 56 -5.556 -5.250 -7.740 1.00 0.00 C ATOM 871 O ALA A 56 -6.363 -6.046 -8.220 1.00 0.00 O ATOM 872 CB ALA A 56 -4.497 -3.735 -9.430 1.00 0.00 C ATOM 0 H ALA A 56 -4.118 -2.515 -7.328 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.455 -3.522 -8.602 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.816 -4.420 -10.215 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.484 -2.717 -9.819 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.496 -4.008 -9.096 1.00 0.00 H new ATOM 878 N GLU A 57 -4.738 -5.560 -6.745 1.00 0.00 N ATOM 879 CA GLU A 57 -4.705 -6.891 -6.159 1.00 0.00 C ATOM 880 C GLU A 57 -5.941 -7.140 -5.306 1.00 0.00 C ATOM 881 O GLU A 57 -6.576 -8.185 -5.404 1.00 0.00 O ATOM 882 CB GLU A 57 -3.452 -7.051 -5.309 1.00 0.00 C ATOM 883 CG GLU A 57 -2.174 -7.000 -6.116 1.00 0.00 C ATOM 884 CD GLU A 57 -1.604 -8.375 -6.368 1.00 0.00 C ATOM 885 OE1 GLU A 57 -2.292 -9.197 -6.997 1.00 0.00 O ATOM 886 OE2 GLU A 57 -0.468 -8.637 -5.928 1.00 0.00 O ATOM 0 H GLU A 57 -4.083 -4.901 -6.324 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.692 -7.621 -6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.429 -6.264 -4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.501 -8.001 -4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.368 -6.508 -7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.437 -6.394 -5.589 1.00 0.00 H new ATOM 893 N TRP A 58 -6.279 -6.166 -4.475 1.00 0.00 N ATOM 894 CA TRP A 58 -7.446 -6.259 -3.608 1.00 0.00 C ATOM 895 C TRP A 58 -8.701 -6.531 -4.435 1.00 0.00 C ATOM 896 O TRP A 58 -9.498 -7.412 -4.108 1.00 0.00 O ATOM 897 CB TRP A 58 -7.582 -4.963 -2.797 1.00 0.00 C ATOM 898 CG TRP A 58 -8.965 -4.681 -2.295 1.00 0.00 C ATOM 899 CD1 TRP A 58 -9.698 -5.437 -1.422 1.00 0.00 C ATOM 900 CD2 TRP A 58 -9.774 -3.546 -2.626 1.00 0.00 C ATOM 901 NE1 TRP A 58 -10.917 -4.845 -1.202 1.00 0.00 N ATOM 902 CE2 TRP A 58 -10.986 -3.682 -1.929 1.00 0.00 C ATOM 903 CE3 TRP A 58 -9.591 -2.429 -3.451 1.00 0.00 C ATOM 904 CZ2 TRP A 58 -12.011 -2.742 -2.028 1.00 0.00 C ATOM 905 CZ3 TRP A 58 -10.609 -1.499 -3.547 1.00 0.00 C ATOM 906 CH2 TRP A 58 -11.805 -1.661 -2.839 1.00 0.00 C ATOM 0 H TRP A 58 -5.757 -5.295 -4.382 1.00 0.00 H new ATOM 0 HA TRP A 58 -7.322 -7.091 -2.915 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.904 -5.011 -1.945 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.258 -4.127 -3.417 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.367 -6.362 -0.973 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -11.652 -5.210 -0.597 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -8.672 -2.297 -4.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -12.935 -2.864 -1.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -10.479 -0.633 -4.179 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -12.581 -0.917 -2.935 1.00 0.00 H new ATOM 917 N ARG A 59 -8.849 -5.799 -5.532 1.00 0.00 N ATOM 918 CA ARG A 59 -9.999 -5.972 -6.411 1.00 0.00 C ATOM 919 C ARG A 59 -9.914 -7.293 -7.181 1.00 0.00 C ATOM 920 O ARG A 59 -10.939 -7.880 -7.520 1.00 0.00 O ATOM 921 CB ARG A 59 -10.112 -4.794 -7.385 1.00 0.00 C ATOM 922 CG ARG A 59 -10.770 -3.565 -6.777 1.00 0.00 C ATOM 923 CD ARG A 59 -11.890 -3.026 -7.658 1.00 0.00 C ATOM 924 NE ARG A 59 -13.138 -2.835 -6.912 1.00 0.00 N ATOM 925 CZ ARG A 59 -13.502 -1.683 -6.340 1.00 0.00 C ATOM 926 NH1 ARG A 59 -12.727 -0.608 -6.436 1.00 0.00 N ATOM 927 NH2 ARG A 59 -14.649 -1.600 -5.676 1.00 0.00 N ATOM 0 H ARG A 59 -8.189 -5.082 -5.834 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.894 -6.001 -5.789 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.115 -4.526 -7.736 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.684 -5.108 -8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -11.170 -3.816 -5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.020 -2.788 -6.627 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.581 -2.077 -8.095 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.064 -3.716 -8.484 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.768 -3.632 -6.824 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.847 -0.658 -6.949 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.012 0.267 -5.997 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.255 -2.417 -5.601 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.924 -0.719 -5.241 1.00 0.00 H new ATOM 941 N ARG A 60 -8.694 -7.767 -7.433 1.00 0.00 N ATOM 942 CA ARG A 60 -8.495 -9.007 -8.183 1.00 0.00 C ATOM 943 C ARG A 60 -8.808 -10.232 -7.319 1.00 0.00 C ATOM 944 O ARG A 60 -9.417 -11.192 -7.793 1.00 0.00 O ATOM 945 CB ARG A 60 -7.061 -9.080 -8.750 1.00 0.00 C ATOM 946 CG ARG A 60 -6.068 -9.858 -7.892 1.00 0.00 C ATOM 947 CD ARG A 60 -4.825 -10.256 -8.671 1.00 0.00 C ATOM 948 NE ARG A 60 -4.617 -11.702 -8.654 1.00 0.00 N ATOM 949 CZ ARG A 60 -3.794 -12.340 -7.819 1.00 0.00 C ATOM 950 NH1 ARG A 60 -3.029 -11.662 -6.977 1.00 0.00 N ATOM 951 NH2 ARG A 60 -3.723 -13.661 -7.851 1.00 0.00 N ATOM 0 H ARG A 60 -7.832 -7.313 -7.130 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.191 -9.008 -9.022 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.100 -9.537 -9.739 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.687 -8.065 -8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.778 -9.251 -7.034 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.552 -10.753 -7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -4.916 -9.914 -9.702 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.954 -9.758 -8.246 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.137 -12.264 -9.328 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.065 -10.643 -6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.403 -12.159 -6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.296 -14.187 -8.512 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.096 -14.154 -7.215 1.00 0.00 H new ATOM 965 N SER A 61 -8.404 -10.191 -6.053 1.00 0.00 N ATOM 966 CA SER A 61 -8.619 -11.312 -5.151 1.00 0.00 C ATOM 967 C SER A 61 -10.082 -11.418 -4.746 1.00 0.00 C ATOM 968 O SER A 61 -10.702 -12.472 -4.902 1.00 0.00 O ATOM 969 CB SER A 61 -7.737 -11.173 -3.909 1.00 0.00 C ATOM 970 OG SER A 61 -6.389 -10.922 -4.268 1.00 0.00 O ATOM 0 H SER A 61 -7.927 -9.394 -5.631 1.00 0.00 H new ATOM 0 HA SER A 61 -8.346 -12.225 -5.679 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.108 -10.360 -3.284 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.795 -12.084 -3.314 1.00 0.00 H new ATOM 0 HG SER A 61 -6.309 -10.011 -4.621 1.00 0.00 H new ATOM 976 N GLU A 62 -10.638 -10.319 -4.247 1.00 0.00 N ATOM 977 CA GLU A 62 -12.010 -10.322 -3.761 1.00 0.00 C ATOM 978 C GLU A 62 -13.000 -10.381 -4.921 1.00 0.00 C ATOM 979 O GLU A 62 -14.122 -10.863 -4.760 1.00 0.00 O ATOM 980 CB GLU A 62 -12.276 -9.082 -2.902 1.00 0.00 C ATOM 981 CG GLU A 62 -11.220 -8.842 -1.834 1.00 0.00 C ATOM 982 CD GLU A 62 -11.172 -9.944 -0.797 1.00 0.00 C ATOM 983 OE1 GLU A 62 -12.232 -10.284 -0.230 1.00 0.00 O ATOM 984 OE2 GLU A 62 -10.072 -10.474 -0.537 1.00 0.00 O ATOM 0 H GLU A 62 -10.162 -9.420 -4.169 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.148 -11.212 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.331 -8.207 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.249 -9.185 -2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.243 -8.754 -2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.420 -7.892 -1.339 1.00 0.00 H new ATOM 991 N GLY A 63 -12.575 -9.899 -6.089 1.00 0.00 N ATOM 992 CA GLY A 63 -13.457 -9.860 -7.245 1.00 0.00 C ATOM 993 C GLY A 63 -14.673 -8.996 -6.982 1.00 0.00 C ATOM 994 O GLY A 63 -15.785 -9.312 -7.411 1.00 0.00 O ATOM 0 H GLY A 63 -11.637 -9.535 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.913 -9.473 -8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.775 -10.872 -7.497 1.00 0.00 H new ATOM 998 N LEU A 64 -14.450 -7.894 -6.282 1.00 0.00 N ATOM 999 CA LEU A 64 -15.536 -7.055 -5.804 1.00 0.00 C ATOM 1000 C LEU A 64 -15.695 -5.806 -6.667 1.00 0.00 C ATOM 1001 O LEU A 64 -14.709 -5.168 -7.051 1.00 0.00 O ATOM 1002 CB LEU A 64 -15.287 -6.668 -4.343 1.00 0.00 C ATOM 1003 CG LEU A 64 -14.512 -5.371 -4.131 1.00 0.00 C ATOM 1004 CD1 LEU A 64 -15.098 -4.594 -2.969 1.00 0.00 C ATOM 1005 CD2 LEU A 64 -13.038 -5.665 -3.902 1.00 0.00 C ATOM 0 H LEU A 64 -13.520 -7.559 -6.032 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.464 -7.623 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -16.250 -6.582 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.744 -7.479 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.598 -4.759 -5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -14.536 -3.671 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.141 -4.356 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.040 -5.196 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.499 -4.729 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.925 -6.294 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.631 -6.183 -4.770 1.00 0.00 H new ATOM 1017 N PRO A 65 -16.942 -5.452 -6.993 1.00 0.00 N ATOM 1018 CA PRO A 65 -17.256 -4.243 -7.737 1.00 0.00 C ATOM 1019 C PRO A 65 -17.458 -3.053 -6.806 1.00 0.00 C ATOM 1020 O PRO A 65 -17.000 -3.064 -5.659 1.00 0.00 O ATOM 1021 CB PRO A 65 -18.563 -4.618 -8.426 1.00 0.00 C ATOM 1022 CG PRO A 65 -19.246 -5.528 -7.459 1.00 0.00 C ATOM 1023 CD PRO A 65 -18.159 -6.217 -6.667 1.00 0.00 C ATOM 0 HA PRO A 65 -16.465 -3.939 -8.422 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -19.168 -3.736 -8.637 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -18.381 -5.115 -9.379 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -19.907 -4.966 -6.800 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -19.863 -6.257 -7.984 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -18.370 -6.196 -5.598 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.060 -7.265 -6.952 1.00 0.00 H new ATOM 1031 N SER A 66 -18.134 -2.031 -7.299 1.00 0.00 N ATOM 1032 CA SER A 66 -18.467 -0.874 -6.489 1.00 0.00 C ATOM 1033 C SER A 66 -19.976 -0.800 -6.292 1.00 0.00 C ATOM 1034 O SER A 66 -20.729 -1.391 -7.062 1.00 0.00 O ATOM 1035 CB SER A 66 -17.944 0.400 -7.153 1.00 0.00 C ATOM 1036 OG SER A 66 -16.626 0.212 -7.643 1.00 0.00 O ATOM 0 H SER A 66 -18.465 -1.979 -8.263 1.00 0.00 H new ATOM 0 HA SER A 66 -17.993 -0.970 -5.512 1.00 0.00 H new ATOM 0 HB2 SER A 66 -18.604 0.685 -7.973 1.00 0.00 H new ATOM 0 HB3 SER A 66 -17.956 1.220 -6.435 1.00 0.00 H new ATOM 0 HG SER A 66 -16.313 1.039 -8.065 1.00 0.00 H new ATOM 1042 N GLU A 67 -20.410 -0.076 -5.264 1.00 0.00 N ATOM 1043 CA GLU A 67 -21.832 0.043 -4.937 1.00 0.00 C ATOM 1044 C GLU A 67 -22.646 0.534 -6.134 1.00 0.00 C ATOM 1045 O GLU A 67 -23.755 0.057 -6.384 1.00 0.00 O ATOM 1046 CB GLU A 67 -22.017 1.004 -3.761 1.00 0.00 C ATOM 1047 CG GLU A 67 -22.245 0.306 -2.429 1.00 0.00 C ATOM 1048 CD GLU A 67 -21.323 -0.878 -2.224 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -20.122 -0.667 -1.953 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -21.795 -2.026 -2.339 1.00 0.00 O ATOM 0 H GLU A 67 -19.794 0.442 -4.637 1.00 0.00 H new ATOM 0 HA GLU A 67 -22.195 -0.948 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -21.135 1.640 -3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -22.864 1.658 -3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -22.098 1.021 -1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -23.280 -0.031 -2.372 1.00 0.00 H new ATOM 1057 N CYS A 68 -22.083 1.474 -6.878 1.00 0.00 N ATOM 1058 CA CYS A 68 -22.765 2.060 -8.023 1.00 0.00 C ATOM 1059 C CYS A 68 -22.450 1.292 -9.306 1.00 0.00 C ATOM 1060 O CYS A 68 -22.834 1.707 -10.399 1.00 0.00 O ATOM 1061 CB CYS A 68 -22.341 3.519 -8.173 1.00 0.00 C ATOM 1062 SG CYS A 68 -20.776 3.909 -7.351 1.00 0.00 S ATOM 0 H CYS A 68 -21.150 1.849 -6.708 1.00 0.00 H new ATOM 0 HA CYS A 68 -23.840 2.003 -7.852 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -22.253 3.756 -9.233 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -23.124 4.159 -7.767 1.00 0.00 H new ATOM 0 HG CYS A 68 -20.862 3.608 -6.089 1.00 0.00 H new ATOM 1068 N ARG A 69 -21.760 0.170 -9.166 1.00 0.00 N ATOM 1069 CA ARG A 69 -21.330 -0.613 -10.313 1.00 0.00 C ATOM 1070 C ARG A 69 -21.940 -2.010 -10.268 1.00 0.00 C ATOM 1071 O ARG A 69 -22.190 -2.552 -9.191 1.00 0.00 O ATOM 1072 CB ARG A 69 -19.800 -0.702 -10.340 1.00 0.00 C ATOM 1073 CG ARG A 69 -19.245 -1.431 -11.554 1.00 0.00 C ATOM 1074 CD ARG A 69 -19.029 -0.488 -12.726 1.00 0.00 C ATOM 1075 NE ARG A 69 -18.286 0.713 -12.340 1.00 0.00 N ATOM 1076 CZ ARG A 69 -16.957 0.784 -12.294 1.00 0.00 C ATOM 1077 NH1 ARG A 69 -16.221 -0.258 -12.649 1.00 0.00 N ATOM 1078 NH2 ARG A 69 -16.364 1.905 -11.904 1.00 0.00 N ATOM 0 H ARG A 69 -21.485 -0.220 -8.264 1.00 0.00 H new ATOM 0 HA ARG A 69 -21.673 -0.119 -11.222 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -19.387 0.306 -10.314 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -19.460 -1.209 -9.437 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -18.301 -1.908 -11.292 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -19.932 -2.225 -11.847 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -18.488 -1.010 -13.515 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -19.995 -0.198 -13.140 1.00 0.00 H new ATOM 0 HE ARG A 69 -18.819 1.546 -12.091 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.672 -1.119 -12.959 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -15.203 -0.200 -12.612 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -16.926 2.714 -11.639 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -15.346 1.958 -11.869 1.00 0.00 H new ATOM 1092 N SER A 70 -22.190 -2.574 -11.441 1.00 0.00 N ATOM 1093 CA SER A 70 -22.685 -3.934 -11.556 1.00 0.00 C ATOM 1094 C SER A 70 -21.608 -4.938 -11.140 1.00 0.00 C ATOM 1095 O SER A 70 -20.439 -4.578 -10.987 1.00 0.00 O ATOM 1096 CB SER A 70 -23.114 -4.182 -13.001 1.00 0.00 C ATOM 1097 OG SER A 70 -22.934 -3.008 -13.782 1.00 0.00 O ATOM 0 H SER A 70 -22.055 -2.102 -12.335 1.00 0.00 H new ATOM 0 HA SER A 70 -23.539 -4.066 -10.891 1.00 0.00 H new ATOM 0 HB2 SER A 70 -22.531 -5.000 -13.424 1.00 0.00 H new ATOM 0 HB3 SER A 70 -24.160 -4.488 -13.029 1.00 0.00 H new ATOM 0 HG SER A 70 -23.212 -3.184 -14.705 1.00 0.00 H new ATOM 1103 N VAL A 71 -22.012 -6.192 -10.964 1.00 0.00 N ATOM 1104 CA VAL A 71 -21.100 -7.254 -10.550 1.00 0.00 C ATOM 1105 C VAL A 71 -19.881 -7.342 -11.476 1.00 0.00 C ATOM 1106 O VAL A 71 -19.998 -7.200 -12.700 1.00 0.00 O ATOM 1107 CB VAL A 71 -21.824 -8.624 -10.494 1.00 0.00 C ATOM 1108 CG1 VAL A 71 -22.339 -9.033 -11.867 1.00 0.00 C ATOM 1109 CG2 VAL A 71 -20.913 -9.700 -9.920 1.00 0.00 C ATOM 0 H VAL A 71 -22.974 -6.500 -11.103 1.00 0.00 H new ATOM 0 HA VAL A 71 -20.751 -7.003 -9.548 1.00 0.00 H new ATOM 0 HB VAL A 71 -22.683 -8.515 -9.832 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -22.842 -9.998 -11.795 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -23.042 -8.284 -12.230 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -21.502 -9.111 -12.561 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -21.446 -10.651 -9.892 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -20.027 -9.799 -10.547 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -20.613 -9.422 -8.910 1.00 0.00 H new ATOM 1119 N THR A 72 -18.716 -7.544 -10.872 1.00 0.00 N ATOM 1120 CA THR A 72 -17.463 -7.648 -11.604 1.00 0.00 C ATOM 1121 C THR A 72 -17.363 -8.976 -12.346 1.00 0.00 C ATOM 1122 O THR A 72 -16.701 -9.912 -11.893 1.00 0.00 O ATOM 1123 CB THR A 72 -16.274 -7.512 -10.639 1.00 0.00 C ATOM 1124 OG1 THR A 72 -16.755 -7.559 -9.289 1.00 0.00 O ATOM 1125 CG2 THR A 72 -15.525 -6.211 -10.873 1.00 0.00 C ATOM 0 H THR A 72 -18.615 -7.640 -9.862 1.00 0.00 H new ATOM 0 HA THR A 72 -17.438 -6.840 -12.336 1.00 0.00 H new ATOM 0 HB THR A 72 -15.583 -8.336 -10.818 1.00 0.00 H new ATOM 0 HG1 THR A 72 -16.274 -8.255 -8.794 1.00 0.00 H new ATOM 0 HG21 THR A 72 -14.689 -6.142 -10.176 1.00 0.00 H new ATOM 0 HG22 THR A 72 -15.148 -6.187 -11.895 1.00 0.00 H new ATOM 0 HG23 THR A 72 -16.199 -5.369 -10.715 1.00 0.00 H new ATOM 1133 N ASP A 73 -18.028 -9.059 -13.480 1.00 0.00 N ATOM 1134 CA ASP A 73 -17.992 -10.259 -14.294 1.00 0.00 C ATOM 1135 C ASP A 73 -17.345 -9.949 -15.631 1.00 0.00 C ATOM 1136 O ASP A 73 -16.353 -10.613 -15.982 1.00 0.00 O ATOM 1137 CB ASP A 73 -19.407 -10.808 -14.493 1.00 0.00 C ATOM 1138 CG ASP A 73 -19.525 -11.693 -15.718 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -18.975 -12.813 -15.707 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -20.176 -11.274 -16.695 1.00 0.00 O ATOM 1141 OXT ASP A 73 -17.813 -9.014 -16.309 1.00 0.00 O ATOM 0 H ASP A 73 -18.602 -8.307 -13.861 1.00 0.00 H new ATOM 0 HA ASP A 73 -17.401 -11.020 -13.785 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -19.699 -11.376 -13.610 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.106 -9.976 -14.582 1.00 0.00 H new TER 1146 ASP A 73