USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 557 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 15 TYR OH : rot 165:sc= -2.01! USER MOD Set 1.2: A 37 MET CE :methyl 138:sc= -1.36 (180deg=-4.74!) USER MOD Single : A 5 SER OG : rot 25:sc= 0.0958 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.274 K(o=-0.27,f=-0.9) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 160:sc= 0.237 (180deg=-0.359) USER MOD Single : A 20 SER OG : rot -8:sc= 0.626 USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.21) USER MOD Single : A 25 ASN : amide:sc= -1.59 K(o=-1.6,f=-5.5!) USER MOD Single : A 26 HIS : no HD1:sc= -5.78! C(o=-5.8!,f=-6.1!) USER MOD Single : A 27 ASN : amide:sc= 0.55 K(o=0.55,f=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 80:sc= 1.22 USER MOD Single : A 36 LYS NZ :NH3+ 157:sc= 1.26 (180deg=1.14) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.02 F(o=-2.5!,f=-1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 165:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0655 K(o=-0.066,f=-2.5!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0899 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0242 F(o=-1.3!,f=-0.024) USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= 1.2 (180deg=0.66) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN :FLIP amide:sc=-0.000149 F(o=-1.8!,f=-0.00015) USER MOD Single : A 62 HIS :FLIP no HE2:sc= -7.01! C(o=-7.5!,f=-7!) USER MOD Single : A 64 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-4.3!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -2.75 K(o=-2.7,f=-8.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 5 -18.851 3.708 -2.911 1.00 0.00 N ATOM 2 CA SER A 5 -17.711 2.799 -2.914 1.00 0.00 C ATOM 3 C SER A 5 -16.563 3.358 -2.069 1.00 0.00 C ATOM 4 O SER A 5 -15.402 3.351 -2.484 1.00 0.00 O ATOM 5 CB SER A 5 -17.247 2.556 -4.351 1.00 0.00 C ATOM 6 OG SER A 5 -18.304 2.039 -5.143 1.00 0.00 O ATOM 0 HA SER A 5 -18.021 1.851 -2.474 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.886 3.489 -4.784 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.410 1.858 -4.354 1.00 0.00 H new ATOM 0 HG SER A 5 -19.164 2.310 -4.759 1.00 0.00 H new ATOM 12 N GLN A 6 -16.900 3.816 -0.869 1.00 0.00 N ATOM 13 CA GLN A 6 -15.934 4.426 0.043 1.00 0.00 C ATOM 14 C GLN A 6 -14.899 3.408 0.507 1.00 0.00 C ATOM 15 O GLN A 6 -13.838 3.775 1.009 1.00 0.00 O ATOM 16 CB GLN A 6 -16.660 5.023 1.250 1.00 0.00 C ATOM 17 CG GLN A 6 -17.435 4.000 2.064 1.00 0.00 C ATOM 18 CD GLN A 6 -18.366 4.646 3.066 1.00 0.00 C ATOM 19 OE1 GLN A 6 -19.526 4.919 2.759 1.00 0.00 O ATOM 20 NE2 GLN A 6 -17.871 4.890 4.269 1.00 0.00 N ATOM 0 H GLN A 6 -17.850 3.776 -0.499 1.00 0.00 H new ATOM 0 HA GLN A 6 -15.413 5.219 -0.493 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.931 5.512 1.896 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -17.347 5.795 0.904 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -18.013 3.367 1.391 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.734 3.351 2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.903 4.647 4.481 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -18.457 5.321 4.984 1.00 0.00 H new ATOM 29 N GLN A 7 -15.218 2.132 0.329 1.00 0.00 N ATOM 30 CA GLN A 7 -14.306 1.051 0.673 1.00 0.00 C ATOM 31 C GLN A 7 -12.981 1.211 -0.059 1.00 0.00 C ATOM 32 O GLN A 7 -11.921 0.948 0.495 1.00 0.00 O ATOM 33 CB GLN A 7 -14.926 -0.293 0.327 1.00 0.00 C ATOM 34 CG GLN A 7 -14.093 -1.462 0.770 1.00 0.00 C ATOM 35 CD GLN A 7 -13.791 -1.456 2.253 1.00 0.00 C ATOM 36 OE1 GLN A 7 -14.584 -0.978 3.066 1.00 0.00 O ATOM 37 NE2 GLN A 7 -12.644 -2.001 2.620 1.00 0.00 N ATOM 0 H GLN A 7 -16.110 1.820 -0.055 1.00 0.00 H new ATOM 0 HA GLN A 7 -14.120 1.092 1.746 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -15.911 -0.361 0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -15.076 -0.350 -0.751 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -14.612 -2.386 0.516 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.155 -1.461 0.215 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.014 -2.386 1.916 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.389 -2.036 3.607 1.00 0.00 H new ATOM 46 N ILE A 8 -13.053 1.675 -1.296 1.00 0.00 N ATOM 47 CA ILE A 8 -11.865 1.846 -2.124 1.00 0.00 C ATOM 48 C ILE A 8 -10.973 2.951 -1.565 1.00 0.00 C ATOM 49 O ILE A 8 -9.768 2.973 -1.791 1.00 0.00 O ATOM 50 CB ILE A 8 -12.245 2.174 -3.586 1.00 0.00 C ATOM 51 CG1 ILE A 8 -13.218 1.131 -4.127 1.00 0.00 C ATOM 52 CG2 ILE A 8 -11.012 2.223 -4.466 1.00 0.00 C ATOM 53 CD1 ILE A 8 -13.708 1.419 -5.531 1.00 0.00 C ATOM 0 H ILE A 8 -13.925 1.942 -1.753 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.317 0.904 -2.111 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.723 3.153 -3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.733 0.155 -4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.077 1.068 -3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.305 2.455 -5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.333 2.993 -4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.510 1.256 -4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.395 0.633 -5.845 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.223 2.379 -5.547 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.859 1.452 -6.213 1.00 0.00 H new ATOM 65 N ALA A 9 -11.576 3.842 -0.803 1.00 0.00 N ATOM 66 CA ALA A 9 -10.859 4.975 -0.242 1.00 0.00 C ATOM 67 C ALA A 9 -10.258 4.632 1.113 1.00 0.00 C ATOM 68 O ALA A 9 -9.114 4.975 1.400 1.00 0.00 O ATOM 69 CB ALA A 9 -11.778 6.180 -0.128 1.00 0.00 C ATOM 0 H ALA A 9 -12.565 3.805 -0.556 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.040 5.222 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.226 7.020 0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.149 6.449 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.619 5.936 0.521 1.00 0.00 H new ATOM 75 N THR A 10 -11.030 3.950 1.933 1.00 0.00 N ATOM 76 CA THR A 10 -10.605 3.588 3.271 1.00 0.00 C ATOM 77 C THR A 10 -9.651 2.401 3.258 1.00 0.00 C ATOM 78 O THR A 10 -8.674 2.380 4.009 1.00 0.00 O ATOM 79 CB THR A 10 -11.811 3.291 4.167 1.00 0.00 C ATOM 80 OG1 THR A 10 -12.739 2.440 3.480 1.00 0.00 O ATOM 81 CG2 THR A 10 -12.494 4.586 4.573 1.00 0.00 C ATOM 0 H THR A 10 -11.968 3.631 1.692 1.00 0.00 H new ATOM 0 HA THR A 10 -10.068 4.444 3.681 1.00 0.00 H new ATOM 0 HB THR A 10 -11.463 2.781 5.065 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.506 2.255 4.062 1.00 0.00 H new ATOM 0 HG21 THR A 10 -13.350 4.362 5.210 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.790 5.213 5.119 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.833 5.113 3.681 1.00 0.00 H new ATOM 89 N ALA A 11 -9.918 1.421 2.400 1.00 0.00 N ATOM 90 CA ALA A 11 -8.996 0.309 2.232 1.00 0.00 C ATOM 91 C ALA A 11 -7.680 0.825 1.680 1.00 0.00 C ATOM 92 O ALA A 11 -6.613 0.368 2.074 1.00 0.00 O ATOM 93 CB ALA A 11 -9.580 -0.763 1.323 1.00 0.00 C ATOM 0 H ALA A 11 -10.755 1.376 1.818 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.823 -0.152 3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.866 -1.580 1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.505 -1.143 1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.788 -0.335 0.342 1.00 0.00 H new ATOM 99 N LYS A 12 -7.767 1.810 0.788 1.00 0.00 N ATOM 100 CA LYS A 12 -6.582 2.463 0.255 1.00 0.00 C ATOM 101 C LYS A 12 -5.876 3.230 1.359 1.00 0.00 C ATOM 102 O LYS A 12 -4.704 3.026 1.594 1.00 0.00 O ATOM 103 CB LYS A 12 -6.945 3.409 -0.889 1.00 0.00 C ATOM 104 CG LYS A 12 -5.735 4.010 -1.585 1.00 0.00 C ATOM 105 CD LYS A 12 -6.122 4.710 -2.875 1.00 0.00 C ATOM 106 CE LYS A 12 -4.897 5.221 -3.615 1.00 0.00 C ATOM 107 NZ LYS A 12 -5.249 5.779 -4.945 1.00 0.00 N ATOM 0 H LYS A 12 -8.648 2.171 0.422 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.914 1.696 -0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.544 2.868 -1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.568 4.214 -0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.246 4.720 -0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.011 3.224 -1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.674 4.021 -3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.789 5.543 -2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.405 5.989 -3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.182 4.408 -3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.387 6.117 -5.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.695 5.040 -5.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.911 6.572 -4.825 1.00 0.00 H new ATOM 121 N ASP A 13 -6.618 4.096 2.036 1.00 0.00 N ATOM 122 CA ASP A 13 -6.106 4.902 3.153 1.00 0.00 C ATOM 123 C ASP A 13 -5.402 4.044 4.204 1.00 0.00 C ATOM 124 O ASP A 13 -4.321 4.395 4.694 1.00 0.00 O ATOM 125 CB ASP A 13 -7.287 5.652 3.791 1.00 0.00 C ATOM 126 CG ASP A 13 -6.909 6.418 5.045 1.00 0.00 C ATOM 127 OD1 ASP A 13 -6.528 7.604 4.926 1.00 0.00 O ATOM 128 OD2 ASP A 13 -7.020 5.852 6.155 1.00 0.00 O ATOM 0 H ASP A 13 -7.602 4.266 1.829 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.366 5.603 2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.703 6.347 3.061 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.073 4.937 4.034 1.00 0.00 H new ATOM 133 N LYS A 14 -5.999 2.923 4.556 1.00 0.00 N ATOM 134 CA LYS A 14 -5.411 2.050 5.527 1.00 0.00 C ATOM 135 C LYS A 14 -4.243 1.293 4.909 1.00 0.00 C ATOM 136 O LYS A 14 -3.225 1.080 5.558 1.00 0.00 O ATOM 137 CB LYS A 14 -6.467 1.107 6.073 1.00 0.00 C ATOM 138 CG LYS A 14 -5.945 0.245 7.183 1.00 0.00 C ATOM 139 CD LYS A 14 -7.052 -0.545 7.842 1.00 0.00 C ATOM 140 CE LYS A 14 -6.550 -1.289 9.063 1.00 0.00 C ATOM 141 NZ LYS A 14 -7.587 -2.190 9.620 1.00 0.00 N ATOM 0 H LYS A 14 -6.891 2.603 4.179 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.021 2.635 6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.316 1.687 6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.836 0.473 5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.193 -0.439 6.790 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.450 0.869 7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.859 0.128 8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.469 -1.255 7.128 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.667 -1.870 8.798 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.243 -0.573 9.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.135 -2.913 10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.255 -1.637 10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.099 -2.652 8.842 1.00 0.00 H new ATOM 155 N TYR A 15 -4.385 0.912 3.643 1.00 0.00 N ATOM 156 CA TYR A 15 -3.282 0.332 2.882 1.00 0.00 C ATOM 157 C TYR A 15 -2.110 1.302 2.850 1.00 0.00 C ATOM 158 O TYR A 15 -0.947 0.907 2.949 1.00 0.00 O ATOM 159 CB TYR A 15 -3.726 0.027 1.454 1.00 0.00 C ATOM 160 CG TYR A 15 -2.619 -0.512 0.590 1.00 0.00 C ATOM 161 CD1 TYR A 15 -2.388 -1.876 0.517 1.00 0.00 C ATOM 162 CD2 TYR A 15 -1.795 0.340 -0.145 1.00 0.00 C ATOM 163 CE1 TYR A 15 -1.369 -2.382 -0.258 1.00 0.00 C ATOM 164 CE2 TYR A 15 -0.776 -0.163 -0.923 1.00 0.00 C ATOM 165 CZ TYR A 15 -0.568 -1.522 -0.974 1.00 0.00 C ATOM 166 OH TYR A 15 0.449 -2.022 -1.740 1.00 0.00 O ATOM 0 H TYR A 15 -5.257 0.995 3.120 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.975 -0.595 3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.541 -0.696 1.481 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.121 0.937 1.001 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.017 -2.553 1.077 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.958 1.407 -0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.199 -3.448 -0.304 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.144 0.505 -1.489 1.00 0.00 H new ATOM 0 HH TYR A 15 0.765 -1.329 -2.356 1.00 0.00 H new ATOM 176 N GLU A 16 -2.442 2.568 2.679 1.00 0.00 N ATOM 177 CA GLU A 16 -1.484 3.641 2.749 1.00 0.00 C ATOM 178 C GLU A 16 -0.713 3.574 4.061 1.00 0.00 C ATOM 179 O GLU A 16 0.514 3.764 4.085 1.00 0.00 O ATOM 180 CB GLU A 16 -2.212 4.973 2.583 1.00 0.00 C ATOM 181 CG GLU A 16 -2.813 5.159 1.205 1.00 0.00 C ATOM 182 CD GLU A 16 -3.119 6.610 0.888 1.00 0.00 C ATOM 183 OE1 GLU A 16 -2.166 7.403 0.731 1.00 0.00 O ATOM 184 OE2 GLU A 16 -4.312 6.964 0.780 1.00 0.00 O ATOM 0 H GLU A 16 -3.395 2.877 2.486 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.756 3.546 1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.003 5.042 3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.515 5.787 2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.124 4.766 0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.730 4.575 1.132 1.00 0.00 H new ATOM 191 N TRP A 17 -1.406 3.251 5.158 1.00 0.00 N ATOM 192 CA TRP A 17 -0.710 3.000 6.392 1.00 0.00 C ATOM 193 C TRP A 17 0.125 1.764 6.254 1.00 0.00 C ATOM 194 O TRP A 17 1.269 1.796 6.599 1.00 0.00 O ATOM 195 CB TRP A 17 -1.637 2.822 7.577 1.00 0.00 C ATOM 196 CG TRP A 17 -1.020 2.038 8.690 1.00 0.00 C ATOM 197 CD1 TRP A 17 0.073 2.344 9.399 1.00 0.00 C ATOM 198 CD2 TRP A 17 -1.464 0.796 9.184 1.00 0.00 C ATOM 199 NE1 TRP A 17 0.313 1.385 10.347 1.00 0.00 N ATOM 200 CE2 TRP A 17 -0.639 0.427 10.241 1.00 0.00 C ATOM 201 CE3 TRP A 17 -2.496 -0.007 8.833 1.00 0.00 C ATOM 202 CZ2 TRP A 17 -0.837 -0.737 10.964 1.00 0.00 C ATOM 203 CZ3 TRP A 17 -2.706 -1.178 9.536 1.00 0.00 C ATOM 204 CH2 TRP A 17 -1.877 -1.523 10.604 1.00 0.00 C ATOM 0 H TRP A 17 -2.421 3.163 5.203 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.094 3.879 6.584 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -1.932 3.803 7.951 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -2.547 2.320 7.247 1.00 0.00 H new ATOM 0 HD1 TRP A 17 0.681 3.224 9.245 1.00 0.00 H new ATOM 0 HE1 TRP A 17 1.080 1.391 11.020 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.146 0.264 8.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.187 -1.007 11.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.519 -1.832 9.256 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.069 -2.433 11.153 1.00 0.00 H new ATOM 215 N LEU A 18 -0.458 0.684 5.752 1.00 0.00 N ATOM 216 CA LEU A 18 0.254 -0.589 5.655 1.00 0.00 C ATOM 217 C LEU A 18 1.648 -0.381 5.067 1.00 0.00 C ATOM 218 O LEU A 18 2.635 -0.889 5.587 1.00 0.00 O ATOM 219 CB LEU A 18 -0.500 -1.585 4.753 1.00 0.00 C ATOM 220 CG LEU A 18 -1.512 -2.519 5.415 1.00 0.00 C ATOM 221 CD1 LEU A 18 -0.804 -3.518 6.309 1.00 0.00 C ATOM 222 CD2 LEU A 18 -2.539 -1.737 6.199 1.00 0.00 C ATOM 0 H LEU A 18 -1.417 0.660 5.406 1.00 0.00 H new ATOM 0 HA LEU A 18 0.325 -0.992 6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.023 -1.013 3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.240 -2.201 4.242 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.034 -3.065 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.539 -4.176 6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.110 -4.112 5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.253 -2.986 7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.247 -2.426 6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.040 -1.157 6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.073 -1.063 5.529 1.00 0.00 H new ATOM 234 N VAL A 19 1.714 0.373 3.977 1.00 0.00 N ATOM 235 CA VAL A 19 2.993 0.716 3.363 1.00 0.00 C ATOM 236 C VAL A 19 3.882 1.485 4.333 1.00 0.00 C ATOM 237 O VAL A 19 5.052 1.174 4.467 1.00 0.00 O ATOM 238 CB VAL A 19 2.827 1.524 2.060 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.175 1.990 1.537 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.155 0.673 1.013 1.00 0.00 C ATOM 0 H VAL A 19 0.899 0.759 3.500 1.00 0.00 H new ATOM 0 HA VAL A 19 3.471 -0.230 3.110 1.00 0.00 H new ATOM 0 HB VAL A 19 2.213 2.398 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.032 2.558 0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.656 2.623 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.806 1.124 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.040 1.249 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.764 -0.209 0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.174 0.362 1.371 1.00 0.00 H new ATOM 250 N SER A 20 3.331 2.471 5.025 1.00 0.00 N ATOM 251 CA SER A 20 4.106 3.211 6.012 1.00 0.00 C ATOM 252 C SER A 20 4.354 2.357 7.265 1.00 0.00 C ATOM 253 O SER A 20 5.269 2.611 8.051 1.00 0.00 O ATOM 254 CB SER A 20 3.378 4.506 6.365 1.00 0.00 C ATOM 255 OG SER A 20 2.145 4.257 7.022 1.00 0.00 O ATOM 0 H SER A 20 2.363 2.775 4.924 1.00 0.00 H new ATOM 0 HA SER A 20 5.079 3.459 5.588 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.014 5.117 7.006 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.196 5.080 5.456 1.00 0.00 H new ATOM 0 HG SER A 20 1.952 3.296 7.002 1.00 0.00 H new ATOM 261 N ARG A 21 3.529 1.336 7.414 1.00 0.00 N ATOM 262 CA ARG A 21 3.559 0.427 8.534 1.00 0.00 C ATOM 263 C ARG A 21 4.726 -0.548 8.381 1.00 0.00 C ATOM 264 O ARG A 21 5.401 -0.907 9.346 1.00 0.00 O ATOM 265 CB ARG A 21 2.199 -0.315 8.626 1.00 0.00 C ATOM 266 CG ARG A 21 2.394 -1.772 8.907 1.00 0.00 C ATOM 267 CD ARG A 21 1.114 -2.533 9.183 1.00 0.00 C ATOM 268 NE ARG A 21 1.390 -3.946 9.455 1.00 0.00 N ATOM 269 CZ ARG A 21 0.463 -4.906 9.514 1.00 0.00 C ATOM 270 NH1 ARG A 21 -0.821 -4.610 9.355 1.00 0.00 N ATOM 271 NH2 ARG A 21 0.828 -6.161 9.752 1.00 0.00 N ATOM 0 H ARG A 21 2.800 1.114 6.736 1.00 0.00 H new ATOM 0 HA ARG A 21 3.711 0.979 9.462 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.591 0.131 9.413 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.651 -0.192 7.692 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.898 -2.229 8.056 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.058 -1.878 9.765 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.600 -2.089 10.035 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.445 -2.448 8.327 1.00 0.00 H new ATOM 0 HE ARG A 21 2.361 -4.216 9.611 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.105 -3.645 9.187 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.524 -5.348 9.401 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.813 -6.388 9.889 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.123 -6.897 9.798 1.00 0.00 H new ATOM 285 N ILE A 22 4.951 -0.951 7.151 1.00 0.00 N ATOM 286 CA ILE A 22 6.027 -1.871 6.810 1.00 0.00 C ATOM 287 C ILE A 22 7.242 -1.104 6.286 1.00 0.00 C ATOM 288 O ILE A 22 8.304 -1.084 6.913 1.00 0.00 O ATOM 289 CB ILE A 22 5.570 -2.862 5.733 1.00 0.00 C ATOM 290 CG1 ILE A 22 4.195 -3.425 6.088 1.00 0.00 C ATOM 291 CG2 ILE A 22 6.575 -3.983 5.589 1.00 0.00 C ATOM 292 CD1 ILE A 22 4.203 -4.659 6.972 1.00 0.00 C ATOM 0 H ILE A 22 4.393 -0.652 6.351 1.00 0.00 H new ATOM 0 HA ILE A 22 6.298 -2.415 7.715 1.00 0.00 H new ATOM 0 HB ILE A 22 5.499 -2.336 4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.620 -2.645 6.588 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.670 -3.665 5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.237 -4.678 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.543 -3.570 5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.671 -4.510 6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.178 -4.976 7.163 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.744 -5.462 6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.693 -4.426 7.917 1.00 0.00 H new ATOM 304 N VAL A 23 7.067 -0.492 5.118 1.00 0.00 N ATOM 305 CA VAL A 23 8.084 0.336 4.490 1.00 0.00 C ATOM 306 C VAL A 23 8.376 1.596 5.309 1.00 0.00 C ATOM 307 O VAL A 23 7.590 2.547 5.326 1.00 0.00 O ATOM 308 CB VAL A 23 7.607 0.729 3.089 1.00 0.00 C ATOM 309 CG1 VAL A 23 8.669 1.534 2.376 1.00 0.00 C ATOM 310 CG2 VAL A 23 7.237 -0.506 2.288 1.00 0.00 C ATOM 0 H VAL A 23 6.205 -0.560 4.578 1.00 0.00 H new ATOM 0 HA VAL A 23 9.008 -0.239 4.431 1.00 0.00 H new ATOM 0 HB VAL A 23 6.717 1.350 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.314 1.805 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.882 2.439 2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.578 0.939 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.900 -0.208 1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.108 -1.155 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.437 -1.043 2.797 1.00 0.00 H new ATOM 320 N LYS A 24 9.520 1.590 5.976 1.00 0.00 N ATOM 321 CA LYS A 24 9.946 2.709 6.805 1.00 0.00 C ATOM 322 C LYS A 24 10.816 3.681 6.028 1.00 0.00 C ATOM 323 O LYS A 24 10.424 4.814 5.755 1.00 0.00 O ATOM 324 CB LYS A 24 10.741 2.197 7.993 1.00 0.00 C ATOM 325 CG LYS A 24 9.917 1.495 9.011 1.00 0.00 C ATOM 326 CD LYS A 24 8.795 2.370 9.476 1.00 0.00 C ATOM 327 CE LYS A 24 7.756 1.557 10.199 1.00 0.00 C ATOM 328 NZ LYS A 24 6.530 2.348 10.469 1.00 0.00 N ATOM 0 H LYS A 24 10.179 0.811 5.959 1.00 0.00 H new ATOM 0 HA LYS A 24 9.048 3.229 7.139 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.515 1.518 7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.249 3.037 8.467 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.516 0.573 8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.540 1.212 9.859 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.181 3.147 10.136 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.342 2.874 8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.500 0.681 9.603 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.169 1.193 11.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.850 1.765 10.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.776 3.189 11.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.103 2.646 9.568 1.00 0.00 H new ATOM 342 N ASN A 25 12.004 3.216 5.681 1.00 0.00 N ATOM 343 CA ASN A 25 13.036 4.072 5.097 1.00 0.00 C ATOM 344 C ASN A 25 13.089 3.962 3.574 1.00 0.00 C ATOM 345 O ASN A 25 14.115 4.272 2.971 1.00 0.00 O ATOM 346 CB ASN A 25 14.405 3.709 5.686 1.00 0.00 C ATOM 347 CG ASN A 25 14.885 2.337 5.249 1.00 0.00 C ATOM 348 OD1 ASN A 25 14.088 1.454 4.933 1.00 0.00 O ATOM 349 ND2 ASN A 25 16.188 2.151 5.222 1.00 0.00 N ATOM 0 H ASN A 25 12.284 2.242 5.793 1.00 0.00 H new ATOM 0 HA ASN A 25 12.781 5.103 5.343 1.00 0.00 H new ATOM 0 HB2 ASN A 25 15.136 4.459 5.384 1.00 0.00 H new ATOM 0 HB3 ASN A 25 14.348 3.740 6.774 1.00 0.00 H new ATOM 0 HD21 ASN A 25 16.569 1.250 4.932 1.00 0.00 H new ATOM 0 HD22 ASN A 25 16.817 2.908 5.491 1.00 0.00 H new ATOM 356 N HIS A 26 11.995 3.488 2.969 1.00 0.00 N ATOM 357 CA HIS A 26 11.841 3.391 1.501 1.00 0.00 C ATOM 358 C HIS A 26 12.835 2.418 0.864 1.00 0.00 C ATOM 359 O HIS A 26 12.769 2.158 -0.335 1.00 0.00 O ATOM 360 CB HIS A 26 11.921 4.778 0.803 1.00 0.00 C ATOM 361 CG HIS A 26 13.296 5.307 0.510 1.00 0.00 C ATOM 362 ND1 HIS A 26 13.708 6.523 0.973 1.00 0.00 N ATOM 363 CD2 HIS A 26 14.347 4.794 -0.183 1.00 0.00 C ATOM 364 CE1 HIS A 26 14.957 6.736 0.598 1.00 0.00 C ATOM 365 NE2 HIS A 26 15.363 5.703 -0.109 1.00 0.00 N ATOM 0 H HIS A 26 11.179 3.156 3.484 1.00 0.00 H new ATOM 0 HA HIS A 26 10.839 2.991 1.343 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.372 4.718 -0.137 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.403 5.505 1.429 1.00 0.00 H new ATOM 0 HD2 HIS A 26 14.373 3.844 -0.696 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.546 7.611 0.832 1.00 0.00 H new ATOM 0 HE2 HIS A 26 16.285 5.599 -0.532 1.00 0.00 H new ATOM 374 N ASN A 27 13.737 1.874 1.659 1.00 0.00 N ATOM 375 CA ASN A 27 14.808 1.032 1.144 1.00 0.00 C ATOM 376 C ASN A 27 14.363 -0.422 1.098 1.00 0.00 C ATOM 377 O ASN A 27 15.149 -1.349 1.303 1.00 0.00 O ATOM 378 CB ASN A 27 16.054 1.212 2.005 1.00 0.00 C ATOM 379 CG ASN A 27 16.989 2.265 1.469 1.00 0.00 C ATOM 380 OD1 ASN A 27 17.936 1.948 0.751 1.00 0.00 O ATOM 381 ND2 ASN A 27 16.736 3.518 1.777 1.00 0.00 N ATOM 0 H ASN A 27 13.752 2.000 2.671 1.00 0.00 H new ATOM 0 HA ASN A 27 15.050 1.330 0.124 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.754 1.481 3.018 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.584 0.262 2.071 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.334 4.262 1.418 1.00 0.00 H new ATOM 0 HD22 ASN A 27 15.942 3.746 2.375 1.00 0.00 H new ATOM 388 N GLU A 28 13.077 -0.594 0.838 1.00 0.00 N ATOM 389 CA GLU A 28 12.468 -1.897 0.675 1.00 0.00 C ATOM 390 C GLU A 28 12.333 -2.229 -0.807 1.00 0.00 C ATOM 391 O GLU A 28 12.707 -1.431 -1.668 1.00 0.00 O ATOM 392 CB GLU A 28 11.074 -1.903 1.300 1.00 0.00 C ATOM 393 CG GLU A 28 11.046 -1.579 2.779 1.00 0.00 C ATOM 394 CD GLU A 28 11.741 -2.616 3.636 1.00 0.00 C ATOM 395 OE1 GLU A 28 11.178 -3.717 3.820 1.00 0.00 O ATOM 396 OE2 GLU A 28 12.834 -2.322 4.156 1.00 0.00 O ATOM 0 H GLU A 28 12.421 0.180 0.734 1.00 0.00 H new ATOM 0 HA GLU A 28 13.101 -2.637 1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.450 -1.182 0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.626 -2.885 1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.518 -0.610 2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.010 -1.486 3.103 1.00 0.00 H new ATOM 403 N ASN A 29 11.783 -3.399 -1.088 1.00 0.00 N ATOM 404 CA ASN A 29 11.449 -3.797 -2.451 1.00 0.00 C ATOM 405 C ASN A 29 10.028 -4.331 -2.473 1.00 0.00 C ATOM 406 O ASN A 29 9.713 -5.272 -1.743 1.00 0.00 O ATOM 407 CB ASN A 29 12.424 -4.853 -2.986 1.00 0.00 C ATOM 408 CG ASN A 29 13.614 -4.248 -3.714 1.00 0.00 C ATOM 409 OD1 ASN A 29 14.059 -3.144 -3.407 1.00 0.00 O ATOM 410 ND2 ASN A 29 14.135 -4.965 -4.696 1.00 0.00 N ATOM 0 H ASN A 29 11.555 -4.099 -0.382 1.00 0.00 H new ATOM 0 HA ASN A 29 11.530 -2.925 -3.100 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.784 -5.461 -2.156 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.892 -5.521 -3.663 1.00 0.00 H new ATOM 0 HD21 ASN A 29 14.930 -4.605 -5.224 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.742 -5.878 -4.925 1.00 0.00 H new ATOM 417 N TRP A 30 9.193 -3.725 -3.321 1.00 0.00 N ATOM 418 CA TRP A 30 7.740 -3.949 -3.341 1.00 0.00 C ATOM 419 C TRP A 30 7.337 -5.404 -3.150 1.00 0.00 C ATOM 420 O TRP A 30 6.514 -5.712 -2.292 1.00 0.00 O ATOM 421 CB TRP A 30 7.156 -3.414 -4.639 1.00 0.00 C ATOM 422 CG TRP A 30 5.819 -3.968 -4.947 1.00 0.00 C ATOM 423 CD1 TRP A 30 5.508 -4.671 -6.044 1.00 0.00 C ATOM 424 CD2 TRP A 30 4.637 -3.895 -4.149 1.00 0.00 C ATOM 425 NE1 TRP A 30 4.182 -5.023 -6.027 1.00 0.00 N ATOM 426 CE2 TRP A 30 3.623 -4.561 -4.862 1.00 0.00 C ATOM 427 CE3 TRP A 30 4.334 -3.325 -2.910 1.00 0.00 C ATOM 428 CZ2 TRP A 30 2.325 -4.672 -4.375 1.00 0.00 C ATOM 429 CZ3 TRP A 30 3.053 -3.439 -2.428 1.00 0.00 C ATOM 430 CH2 TRP A 30 2.058 -4.105 -3.160 1.00 0.00 C ATOM 0 H TRP A 30 9.508 -3.056 -4.023 1.00 0.00 H new ATOM 0 HA TRP A 30 7.334 -3.408 -2.486 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.087 -2.328 -4.579 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.836 -3.645 -5.459 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.203 -4.925 -6.831 1.00 0.00 H new ATOM 0 HE1 TRP A 30 3.694 -5.541 -6.758 1.00 0.00 H new ATOM 0 HE3 TRP A 30 5.092 -2.805 -2.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 1.558 -5.186 -4.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.807 -3.008 -1.469 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.059 -4.171 -2.755 1.00 0.00 H new ATOM 441 N LEU A 31 7.913 -6.286 -3.924 1.00 0.00 N ATOM 442 CA LEU A 31 7.516 -7.669 -3.911 1.00 0.00 C ATOM 443 C LEU A 31 7.753 -8.284 -2.540 1.00 0.00 C ATOM 444 O LEU A 31 6.857 -8.888 -1.960 1.00 0.00 O ATOM 445 CB LEU A 31 8.276 -8.404 -4.992 1.00 0.00 C ATOM 446 CG LEU A 31 7.905 -8.000 -6.417 1.00 0.00 C ATOM 447 CD1 LEU A 31 6.412 -8.149 -6.652 1.00 0.00 C ATOM 448 CD2 LEU A 31 8.371 -6.593 -6.770 1.00 0.00 C ATOM 0 H LEU A 31 8.666 -6.068 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 31 6.448 -7.750 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.343 -8.235 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.104 -9.474 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 31 8.434 -8.683 -7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.173 -7.855 -7.674 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.121 -9.188 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.869 -7.511 -5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.080 -6.360 -7.794 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.911 -5.876 -6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.456 -6.535 -6.679 1.00 0.00 H new ATOM 460 N SER A 32 8.961 -8.110 -2.029 1.00 0.00 N ATOM 461 CA SER A 32 9.296 -8.526 -0.665 1.00 0.00 C ATOM 462 C SER A 32 8.388 -7.878 0.384 1.00 0.00 C ATOM 463 O SER A 32 7.971 -8.544 1.325 1.00 0.00 O ATOM 464 CB SER A 32 10.740 -8.194 -0.336 1.00 0.00 C ATOM 465 OG SER A 32 11.628 -8.669 -1.335 1.00 0.00 O ATOM 0 H SER A 32 9.734 -7.681 -2.537 1.00 0.00 H new ATOM 0 HA SER A 32 9.145 -9.605 -0.631 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.851 -7.115 -0.234 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.005 -8.634 0.625 1.00 0.00 H new ATOM 0 HG SER A 32 12.548 -8.436 -1.092 1.00 0.00 H new ATOM 471 N VAL A 33 8.077 -6.587 0.253 1.00 0.00 N ATOM 472 CA VAL A 33 7.201 -5.958 1.223 1.00 0.00 C ATOM 473 C VAL A 33 5.784 -6.481 1.068 1.00 0.00 C ATOM 474 O VAL A 33 5.036 -6.503 2.025 1.00 0.00 O ATOM 475 CB VAL A 33 7.221 -4.407 1.186 1.00 0.00 C ATOM 476 CG1 VAL A 33 8.143 -3.870 2.259 1.00 0.00 C ATOM 477 CG2 VAL A 33 7.655 -3.888 -0.149 1.00 0.00 C ATOM 0 H VAL A 33 8.411 -5.978 -0.494 1.00 0.00 H new ATOM 0 HA VAL A 33 7.591 -6.231 2.203 1.00 0.00 H new ATOM 0 HB VAL A 33 6.202 -4.065 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.148 -2.781 2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.793 -4.199 3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.153 -4.243 2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.655 -2.798 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.660 -4.248 -0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.966 -4.239 -0.917 1.00 0.00 H new ATOM 487 N SER A 34 5.445 -6.943 -0.129 1.00 0.00 N ATOM 488 CA SER A 34 4.165 -7.607 -0.367 1.00 0.00 C ATOM 489 C SER A 34 4.117 -8.945 0.366 1.00 0.00 C ATOM 490 O SER A 34 3.068 -9.368 0.825 1.00 0.00 O ATOM 491 CB SER A 34 3.960 -7.836 -1.864 1.00 0.00 C ATOM 492 OG SER A 34 4.023 -6.622 -2.577 1.00 0.00 O ATOM 0 H SER A 34 6.040 -6.871 -0.954 1.00 0.00 H new ATOM 0 HA SER A 34 3.369 -6.966 0.010 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.721 -8.521 -2.238 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.994 -8.311 -2.033 1.00 0.00 H new ATOM 0 HG SER A 34 4.960 -6.367 -2.707 1.00 0.00 H new ATOM 498 N ARG A 35 5.265 -9.613 0.449 1.00 0.00 N ATOM 499 CA ARG A 35 5.412 -10.834 1.204 1.00 0.00 C ATOM 500 C ARG A 35 5.088 -10.581 2.657 1.00 0.00 C ATOM 501 O ARG A 35 4.367 -11.326 3.314 1.00 0.00 O ATOM 502 CB ARG A 35 6.842 -11.269 1.079 1.00 0.00 C ATOM 503 CG ARG A 35 7.309 -11.206 -0.300 1.00 0.00 C ATOM 504 CD ARG A 35 6.711 -12.334 -1.085 1.00 0.00 C ATOM 505 NE ARG A 35 7.249 -13.633 -0.692 1.00 0.00 N ATOM 506 CZ ARG A 35 7.561 -14.599 -1.554 1.00 0.00 C ATOM 507 NH1 ARG A 35 7.336 -14.437 -2.854 1.00 0.00 N ATOM 508 NH2 ARG A 35 8.089 -15.733 -1.111 1.00 0.00 N ATOM 0 H ARG A 35 6.122 -9.311 -0.014 1.00 0.00 H new ATOM 0 HA ARG A 35 4.736 -11.602 0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.471 -10.635 1.705 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.946 -12.288 1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.030 -10.251 -0.746 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.397 -11.266 -0.329 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.630 -12.335 -0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.897 -12.173 -2.147 1.00 0.00 H new ATOM 0 HE ARG A 35 7.395 -13.811 0.302 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.922 -13.569 -3.196 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.577 -15.180 -3.510 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.255 -15.863 -0.113 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.329 -16.475 -1.769 1.00 0.00 H new ATOM 522 N LYS A 36 5.683 -9.519 3.138 1.00 0.00 N ATOM 523 CA LYS A 36 5.410 -8.990 4.461 1.00 0.00 C ATOM 524 C LYS A 36 3.935 -8.640 4.609 1.00 0.00 C ATOM 525 O LYS A 36 3.235 -9.105 5.508 1.00 0.00 O ATOM 526 CB LYS A 36 6.255 -7.741 4.651 1.00 0.00 C ATOM 527 CG LYS A 36 7.687 -7.972 4.260 1.00 0.00 C ATOM 528 CD LYS A 36 8.616 -6.883 4.725 1.00 0.00 C ATOM 529 CE LYS A 36 10.050 -7.181 4.316 1.00 0.00 C ATOM 530 NZ LYS A 36 11.012 -6.165 4.820 1.00 0.00 N ATOM 0 H LYS A 36 6.381 -8.986 2.619 1.00 0.00 H new ATOM 0 HA LYS A 36 5.655 -9.740 5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.842 -6.928 4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.209 -7.426 5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.020 -8.924 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.751 -8.055 3.175 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.304 -5.928 4.302 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.555 -6.786 5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.335 -8.163 4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.112 -7.226 3.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.964 -6.581 4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.023 -5.348 4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.723 -5.854 5.769 1.00 0.00 H new ATOM 544 N MET A 37 3.502 -7.811 3.692 1.00 0.00 N ATOM 545 CA MET A 37 2.156 -7.244 3.665 1.00 0.00 C ATOM 546 C MET A 37 1.031 -8.264 3.436 1.00 0.00 C ATOM 547 O MET A 37 -0.093 -8.027 3.867 1.00 0.00 O ATOM 548 CB MET A 37 2.116 -6.154 2.591 1.00 0.00 C ATOM 549 CG MET A 37 2.765 -4.862 3.053 1.00 0.00 C ATOM 550 SD MET A 37 3.173 -3.731 1.706 1.00 0.00 S ATOM 551 CE MET A 37 1.590 -3.558 0.900 1.00 0.00 C ATOM 0 H MET A 37 4.085 -7.496 2.917 1.00 0.00 H new ATOM 0 HA MET A 37 1.962 -6.838 4.658 1.00 0.00 H new ATOM 0 HB2 MET A 37 2.623 -6.512 1.695 1.00 0.00 H new ATOM 0 HB3 MET A 37 1.080 -5.958 2.314 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.094 -4.357 3.748 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.675 -5.100 3.604 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.432 -2.514 0.629 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.570 -4.173 0.001 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.800 -3.881 1.578 1.00 0.00 H new ATOM 561 N GLN A 38 1.309 -9.389 2.777 1.00 0.00 N ATOM 562 CA GLN A 38 0.251 -10.347 2.429 1.00 0.00 C ATOM 563 C GLN A 38 -0.433 -10.911 3.665 1.00 0.00 C ATOM 564 O GLN A 38 -1.594 -11.313 3.621 1.00 0.00 O ATOM 565 CB GLN A 38 0.793 -11.483 1.556 1.00 0.00 C ATOM 566 CG GLN A 38 1.829 -12.381 2.224 1.00 0.00 C ATOM 567 CD GLN A 38 1.250 -13.459 3.119 1.00 0.00 C ATOM 568 OE1 GLN A 38 0.065 -13.932 2.801 1.00 0.00 O flip ATOM 569 NE2 GLN A 38 1.877 -13.868 4.097 1.00 0.00 N flip ATOM 0 H GLN A 38 2.245 -9.660 2.475 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.495 -9.797 1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.044 -12.101 1.232 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.236 -11.050 0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.432 -12.856 1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.502 -11.759 2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.794 -13.478 4.314 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.479 -14.596 4.690 1.00 0.00 H new ATOM 578 N ALA A 39 0.296 -10.935 4.761 1.00 0.00 N ATOM 579 CA ALA A 39 -0.232 -11.428 6.022 1.00 0.00 C ATOM 580 C ALA A 39 -1.226 -10.439 6.628 1.00 0.00 C ATOM 581 O ALA A 39 -1.762 -10.665 7.715 1.00 0.00 O ATOM 582 CB ALA A 39 0.909 -11.706 6.985 1.00 0.00 C ATOM 0 H ALA A 39 1.264 -10.617 4.807 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.769 -12.358 5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.507 -12.075 7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.573 -12.456 6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.467 -10.787 7.163 1.00 0.00 H new ATOM 588 N SER A 40 -1.458 -9.337 5.927 1.00 0.00 N ATOM 589 CA SER A 40 -2.403 -8.333 6.363 1.00 0.00 C ATOM 590 C SER A 40 -3.616 -8.292 5.430 1.00 0.00 C ATOM 591 O SER A 40 -3.489 -8.081 4.215 1.00 0.00 O ATOM 592 CB SER A 40 -1.731 -6.962 6.390 1.00 0.00 C ATOM 593 OG SER A 40 -0.491 -7.011 7.078 1.00 0.00 O ATOM 0 H SER A 40 -0.995 -9.120 5.044 1.00 0.00 H new ATOM 0 HA SER A 40 -2.741 -8.592 7.366 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.570 -6.613 5.370 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.390 -6.241 6.874 1.00 0.00 H new ATOM 0 HG SER A 40 -0.082 -6.121 7.079 1.00 0.00 H new ATOM 599 N PRO A 41 -4.811 -8.496 6.007 1.00 0.00 N ATOM 600 CA PRO A 41 -6.093 -8.412 5.296 1.00 0.00 C ATOM 601 C PRO A 41 -6.237 -7.131 4.523 1.00 0.00 C ATOM 602 O PRO A 41 -6.846 -7.090 3.455 1.00 0.00 O ATOM 603 CB PRO A 41 -7.139 -8.446 6.409 1.00 0.00 C ATOM 604 CG PRO A 41 -6.390 -8.343 7.686 1.00 0.00 C ATOM 605 CD PRO A 41 -5.006 -8.840 7.416 1.00 0.00 C ATOM 0 HA PRO A 41 -6.190 -9.217 4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.845 -7.622 6.305 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.718 -9.369 6.371 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.369 -7.312 8.040 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.869 -8.937 8.464 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.269 -8.356 8.057 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.920 -9.913 7.587 1.00 0.00 H new ATOM 613 N GLU A 42 -5.682 -6.089 5.089 1.00 0.00 N ATOM 614 CA GLU A 42 -5.746 -4.772 4.492 1.00 0.00 C ATOM 615 C GLU A 42 -5.068 -4.762 3.121 1.00 0.00 C ATOM 616 O GLU A 42 -5.619 -4.248 2.145 1.00 0.00 O ATOM 617 CB GLU A 42 -5.099 -3.735 5.409 1.00 0.00 C ATOM 618 CG GLU A 42 -5.360 -3.960 6.893 1.00 0.00 C ATOM 619 CD GLU A 42 -6.818 -4.209 7.225 1.00 0.00 C ATOM 620 OE1 GLU A 42 -7.663 -3.351 6.919 1.00 0.00 O ATOM 621 OE2 GLU A 42 -7.120 -5.263 7.814 1.00 0.00 O ATOM 0 H GLU A 42 -5.174 -6.125 5.973 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.796 -4.513 4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.023 -3.737 5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.464 -2.746 5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.769 -4.811 7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.013 -3.089 7.450 1.00 0.00 H new ATOM 628 N TYR A 43 -3.875 -5.348 3.062 1.00 0.00 N ATOM 629 CA TYR A 43 -3.138 -5.493 1.812 1.00 0.00 C ATOM 630 C TYR A 43 -3.968 -6.278 0.801 1.00 0.00 C ATOM 631 O TYR A 43 -4.078 -5.893 -0.363 1.00 0.00 O ATOM 632 CB TYR A 43 -1.794 -6.189 2.099 1.00 0.00 C ATOM 633 CG TYR A 43 -1.184 -6.957 0.937 1.00 0.00 C ATOM 634 CD1 TYR A 43 -1.566 -8.267 0.672 1.00 0.00 C ATOM 635 CD2 TYR A 43 -0.212 -6.385 0.125 1.00 0.00 C ATOM 636 CE1 TYR A 43 -1.009 -8.981 -0.369 1.00 0.00 C ATOM 637 CE2 TYR A 43 0.352 -7.094 -0.922 1.00 0.00 C ATOM 638 CZ TYR A 43 -0.053 -8.390 -1.166 1.00 0.00 C ATOM 639 OH TYR A 43 0.501 -9.102 -2.208 1.00 0.00 O ATOM 0 H TYR A 43 -3.395 -5.733 3.875 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.938 -4.512 1.381 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.079 -5.435 2.427 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.934 -6.878 2.932 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.314 -8.736 1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.109 -5.371 0.314 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.321 -9.998 -0.558 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.105 -6.635 -1.545 1.00 0.00 H new ATOM 0 HH TYR A 43 0.971 -8.488 -2.810 1.00 0.00 H new ATOM 649 N GLN A 44 -4.566 -7.365 1.270 1.00 0.00 N ATOM 650 CA GLN A 44 -5.386 -8.228 0.423 1.00 0.00 C ATOM 651 C GLN A 44 -6.562 -7.469 -0.159 1.00 0.00 C ATOM 652 O GLN A 44 -6.717 -7.367 -1.376 1.00 0.00 O ATOM 653 CB GLN A 44 -5.931 -9.379 1.244 1.00 0.00 C ATOM 654 CG GLN A 44 -4.870 -10.118 2.008 1.00 0.00 C ATOM 655 CD GLN A 44 -4.143 -11.146 1.164 1.00 0.00 C ATOM 656 OE1 GLN A 44 -4.021 -11.002 -0.054 1.00 0.00 O ATOM 657 NE2 GLN A 44 -3.646 -12.187 1.805 1.00 0.00 N ATOM 0 H GLN A 44 -4.499 -7.674 2.240 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.755 -8.593 -0.388 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.674 -8.997 1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.445 -10.076 0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.148 -9.403 2.402 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.326 -10.615 2.864 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.768 -12.270 2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.140 -12.908 1.291 1.00 0.00 H new ATOM 666 N ASP A 45 -7.390 -6.965 0.743 1.00 0.00 N ATOM 667 CA ASP A 45 -8.625 -6.258 0.386 1.00 0.00 C ATOM 668 C ASP A 45 -8.393 -5.194 -0.683 1.00 0.00 C ATOM 669 O ASP A 45 -9.142 -5.107 -1.655 1.00 0.00 O ATOM 670 CB ASP A 45 -9.249 -5.619 1.631 1.00 0.00 C ATOM 671 CG ASP A 45 -10.690 -5.194 1.409 1.00 0.00 C ATOM 672 OD1 ASP A 45 -11.541 -6.081 1.159 1.00 0.00 O ATOM 673 OD2 ASP A 45 -10.993 -3.990 1.522 1.00 0.00 O ATOM 0 H ASP A 45 -7.230 -7.031 1.748 1.00 0.00 H new ATOM 0 HA ASP A 45 -9.310 -6.997 -0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.206 -6.327 2.459 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.659 -4.751 1.924 1.00 0.00 H new ATOM 678 N TYR A 46 -7.339 -4.410 -0.518 1.00 0.00 N ATOM 679 CA TYR A 46 -7.039 -3.336 -1.461 1.00 0.00 C ATOM 680 C TYR A 46 -6.581 -3.874 -2.801 1.00 0.00 C ATOM 681 O TYR A 46 -6.929 -3.323 -3.848 1.00 0.00 O ATOM 682 CB TYR A 46 -5.996 -2.372 -0.893 1.00 0.00 C ATOM 683 CG TYR A 46 -5.609 -1.280 -1.867 1.00 0.00 C ATOM 684 CD1 TYR A 46 -6.469 -0.221 -2.130 1.00 0.00 C ATOM 685 CD2 TYR A 46 -4.392 -1.316 -2.533 1.00 0.00 C ATOM 686 CE1 TYR A 46 -6.125 0.769 -3.029 1.00 0.00 C ATOM 687 CE2 TYR A 46 -4.041 -0.328 -3.430 1.00 0.00 C ATOM 688 CZ TYR A 46 -4.910 0.711 -3.675 1.00 0.00 C ATOM 689 OH TYR A 46 -4.564 1.696 -4.572 1.00 0.00 O ATOM 0 H TYR A 46 -6.678 -4.494 0.255 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.967 -2.787 -1.619 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.387 -1.918 0.017 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.105 -2.933 -0.612 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.421 -0.171 -1.623 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.708 -2.131 -2.346 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.805 1.585 -3.225 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.089 -0.370 -3.938 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.675 1.507 -4.939 1.00 0.00 H new ATOM 699 N VAL A 47 -5.820 -4.948 -2.785 1.00 0.00 N ATOM 700 CA VAL A 47 -5.341 -5.516 -4.024 1.00 0.00 C ATOM 701 C VAL A 47 -6.476 -6.238 -4.746 1.00 0.00 C ATOM 702 O VAL A 47 -6.462 -6.401 -5.967 1.00 0.00 O ATOM 703 CB VAL A 47 -4.142 -6.464 -3.791 1.00 0.00 C ATOM 704 CG1 VAL A 47 -3.755 -7.201 -5.064 1.00 0.00 C ATOM 705 CG2 VAL A 47 -2.953 -5.687 -3.248 1.00 0.00 C ATOM 0 H VAL A 47 -5.524 -5.438 -1.941 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.988 -4.700 -4.655 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.446 -7.209 -3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.909 -7.858 -4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.600 -7.795 -5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.478 -6.479 -5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.116 -6.367 -3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.664 -4.917 -3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.225 -5.219 -2.302 1.00 0.00 H new ATOM 715 N TYR A 48 -7.475 -6.638 -3.981 1.00 0.00 N ATOM 716 CA TYR A 48 -8.659 -7.256 -4.518 1.00 0.00 C ATOM 717 C TYR A 48 -9.473 -6.231 -5.298 1.00 0.00 C ATOM 718 O TYR A 48 -9.848 -6.455 -6.450 1.00 0.00 O ATOM 719 CB TYR A 48 -9.457 -7.816 -3.352 1.00 0.00 C ATOM 720 CG TYR A 48 -10.907 -8.046 -3.642 1.00 0.00 C ATOM 721 CD1 TYR A 48 -11.340 -9.192 -4.281 1.00 0.00 C ATOM 722 CD2 TYR A 48 -11.838 -7.105 -3.258 1.00 0.00 C ATOM 723 CE1 TYR A 48 -12.683 -9.397 -4.531 1.00 0.00 C ATOM 724 CE2 TYR A 48 -13.184 -7.294 -3.503 1.00 0.00 C ATOM 725 CZ TYR A 48 -13.603 -8.445 -4.139 1.00 0.00 C ATOM 726 OH TYR A 48 -14.943 -8.648 -4.382 1.00 0.00 O ATOM 0 H TYR A 48 -7.482 -6.540 -2.966 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.399 -8.060 -5.207 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.008 -8.760 -3.042 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.373 -7.130 -2.509 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.620 -9.936 -4.589 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.510 -6.206 -2.758 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.011 -10.297 -5.030 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.903 -6.547 -3.199 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.456 -7.885 -4.043 1.00 0.00 H new ATOM 736 N LEU A 49 -9.744 -5.109 -4.641 1.00 0.00 N ATOM 737 CA LEU A 49 -10.482 -4.002 -5.252 1.00 0.00 C ATOM 738 C LEU A 49 -9.742 -3.470 -6.464 1.00 0.00 C ATOM 739 O LEU A 49 -10.217 -3.551 -7.598 1.00 0.00 O ATOM 740 CB LEU A 49 -10.641 -2.849 -4.262 1.00 0.00 C ATOM 741 CG LEU A 49 -11.165 -3.229 -2.893 1.00 0.00 C ATOM 742 CD1 LEU A 49 -11.085 -2.040 -1.954 1.00 0.00 C ATOM 743 CD2 LEU A 49 -12.594 -3.737 -2.978 1.00 0.00 C ATOM 0 H LEU A 49 -9.462 -4.938 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.459 -4.386 -5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.673 -2.364 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.315 -2.111 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.542 -4.033 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.464 -2.325 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.048 -1.718 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.685 -1.222 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.946 -4.003 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.233 -2.957 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.630 -4.616 -3.622 1.00 0.00 H new ATOM 755 N GLU A 50 -8.576 -2.913 -6.195 1.00 0.00 N ATOM 756 CA GLU A 50 -7.776 -2.259 -7.226 1.00 0.00 C ATOM 757 C GLU A 50 -6.864 -3.238 -7.946 1.00 0.00 C ATOM 758 O GLU A 50 -7.131 -3.634 -9.081 1.00 0.00 O ATOM 759 CB GLU A 50 -6.949 -1.129 -6.618 1.00 0.00 C ATOM 760 CG GLU A 50 -7.773 0.098 -6.294 1.00 0.00 C ATOM 761 CD GLU A 50 -8.168 0.870 -7.537 1.00 0.00 C ATOM 762 OE1 GLU A 50 -8.879 0.310 -8.398 1.00 0.00 O ATOM 763 OE2 GLU A 50 -7.746 2.033 -7.676 1.00 0.00 O ATOM 0 H GLU A 50 -8.155 -2.898 -5.266 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.468 -1.849 -7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.468 -1.487 -5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.155 -0.854 -7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.671 -0.202 -5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.205 0.749 -5.630 1.00 0.00 H new ATOM 770 N GLY A 51 -5.785 -3.616 -7.289 1.00 0.00 N ATOM 771 CA GLY A 51 -4.849 -4.539 -7.888 1.00 0.00 C ATOM 772 C GLY A 51 -3.440 -4.350 -7.376 1.00 0.00 C ATOM 773 O GLY A 51 -3.136 -3.350 -6.721 1.00 0.00 O ATOM 0 H GLY A 51 -5.539 -3.301 -6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.171 -5.560 -7.686 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.859 -4.410 -8.970 1.00 0.00 H new ATOM 777 N THR A 52 -2.579 -5.305 -7.693 1.00 0.00 N ATOM 778 CA THR A 52 -1.213 -5.316 -7.202 1.00 0.00 C ATOM 779 C THR A 52 -0.366 -4.214 -7.842 1.00 0.00 C ATOM 780 O THR A 52 0.587 -3.735 -7.240 1.00 0.00 O ATOM 781 CB THR A 52 -0.566 -6.680 -7.478 1.00 0.00 C ATOM 782 OG1 THR A 52 -1.593 -7.670 -7.652 1.00 0.00 O ATOM 783 CG2 THR A 52 0.343 -7.085 -6.332 1.00 0.00 C ATOM 0 H THR A 52 -2.809 -6.093 -8.298 1.00 0.00 H new ATOM 0 HA THR A 52 -1.252 -5.131 -6.128 1.00 0.00 H new ATOM 0 HB THR A 52 0.033 -6.605 -8.385 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.181 -8.541 -7.830 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.791 -8.055 -6.548 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.130 -6.340 -6.211 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.238 -7.151 -5.412 1.00 0.00 H new ATOM 791 N GLN A 53 -0.722 -3.805 -9.059 1.00 0.00 N ATOM 792 CA GLN A 53 0.033 -2.782 -9.770 1.00 0.00 C ATOM 793 C GLN A 53 -0.205 -1.418 -9.150 1.00 0.00 C ATOM 794 O GLN A 53 0.727 -0.652 -8.915 1.00 0.00 O ATOM 795 CB GLN A 53 -0.377 -2.762 -11.239 1.00 0.00 C ATOM 796 CG GLN A 53 -0.229 -4.108 -11.912 1.00 0.00 C ATOM 797 CD GLN A 53 -0.457 -4.063 -13.414 1.00 0.00 C ATOM 798 OE1 GLN A 53 -0.162 -2.931 -14.032 1.00 0.00 O flip ATOM 799 NE2 GLN A 53 -0.892 -5.044 -14.019 1.00 0.00 N flip ATOM 0 H GLN A 53 -1.527 -4.167 -9.570 1.00 0.00 H new ATOM 0 HA GLN A 53 1.095 -3.018 -9.695 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.414 -2.435 -11.317 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.229 -2.028 -11.770 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.771 -4.496 -11.716 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.936 -4.808 -11.466 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.109 -5.901 -13.511 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.035 -4.999 -15.028 1.00 0.00 H new ATOM 808 N LYS A 54 -1.463 -1.131 -8.886 1.00 0.00 N ATOM 809 CA LYS A 54 -1.850 0.121 -8.235 1.00 0.00 C ATOM 810 C LYS A 54 -1.343 0.173 -6.807 1.00 0.00 C ATOM 811 O LYS A 54 -0.933 1.222 -6.319 1.00 0.00 O ATOM 812 CB LYS A 54 -3.338 0.291 -8.268 1.00 0.00 C ATOM 813 CG LYS A 54 -3.874 0.370 -9.661 1.00 0.00 C ATOM 814 CD LYS A 54 -5.275 0.920 -9.665 1.00 0.00 C ATOM 815 CE LYS A 54 -6.122 0.287 -10.755 1.00 0.00 C ATOM 816 NZ LYS A 54 -7.525 0.782 -10.740 1.00 0.00 N ATOM 0 H LYS A 54 -2.245 -1.746 -9.111 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.392 0.942 -8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.808 -0.544 -7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.609 1.197 -7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.228 1.004 -10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.866 -0.621 -10.115 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.739 0.743 -8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.242 2.000 -9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.675 0.497 -11.727 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.120 -0.796 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.007 0.485 -11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.024 0.388 -9.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.526 1.820 -10.681 1.00 0.00 H new ATOM 830 N ALA A 55 -1.384 -0.968 -6.145 1.00 0.00 N ATOM 831 CA ALA A 55 -0.812 -1.116 -4.809 1.00 0.00 C ATOM 832 C ALA A 55 0.704 -0.937 -4.857 1.00 0.00 C ATOM 833 O ALA A 55 1.295 -0.341 -3.956 1.00 0.00 O ATOM 834 CB ALA A 55 -1.178 -2.481 -4.251 1.00 0.00 C ATOM 0 H ALA A 55 -1.812 -1.818 -6.512 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.220 -0.346 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.752 -2.593 -3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.263 -2.572 -4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.782 -3.259 -4.904 1.00 0.00 H new ATOM 840 N LYS A 56 1.321 -1.435 -5.924 1.00 0.00 N ATOM 841 CA LYS A 56 2.733 -1.265 -6.141 1.00 0.00 C ATOM 842 C LYS A 56 3.039 0.205 -6.335 1.00 0.00 C ATOM 843 O LYS A 56 3.911 0.765 -5.690 1.00 0.00 O ATOM 844 CB LYS A 56 3.152 -2.050 -7.377 1.00 0.00 C ATOM 845 CG LYS A 56 4.619 -1.917 -7.684 1.00 0.00 C ATOM 846 CD LYS A 56 5.070 -2.881 -8.767 1.00 0.00 C ATOM 847 CE LYS A 56 6.573 -2.804 -8.982 1.00 0.00 C ATOM 848 NZ LYS A 56 7.032 -3.741 -10.039 1.00 0.00 N ATOM 0 H LYS A 56 0.847 -1.965 -6.655 1.00 0.00 H new ATOM 0 HA LYS A 56 3.285 -1.634 -5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.910 -3.103 -7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.574 -1.705 -8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.831 -0.895 -7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.196 -2.097 -6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.791 -3.898 -8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.555 -2.651 -9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.848 -1.786 -9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.085 -3.033 -8.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.062 -3.657 -10.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.792 -4.716 -9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.563 -3.507 -10.937 1.00 0.00 H new ATOM 862 N LYS A 57 2.306 0.816 -7.244 1.00 0.00 N ATOM 863 CA LYS A 57 2.392 2.217 -7.503 1.00 0.00 C ATOM 864 C LYS A 57 2.173 3.035 -6.227 1.00 0.00 C ATOM 865 O LYS A 57 2.856 4.031 -5.992 1.00 0.00 O ATOM 866 CB LYS A 57 1.330 2.512 -8.542 1.00 0.00 C ATOM 867 CG LYS A 57 1.662 3.664 -9.407 1.00 0.00 C ATOM 868 CD LYS A 57 2.660 3.238 -10.427 1.00 0.00 C ATOM 869 CE LYS A 57 2.841 4.289 -11.478 1.00 0.00 C ATOM 870 NZ LYS A 57 3.945 3.960 -12.416 1.00 0.00 N ATOM 0 H LYS A 57 1.624 0.332 -7.828 1.00 0.00 H new ATOM 0 HA LYS A 57 3.383 2.494 -7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.185 1.629 -9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.383 2.706 -8.038 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.762 4.039 -9.895 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.063 4.481 -8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.615 3.036 -9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.335 2.307 -10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.913 4.404 -12.038 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.046 5.247 -11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.034 4.715 -13.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.836 3.876 -11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.739 3.059 -12.893 1.00 0.00 H new ATOM 884 N LEU A 58 1.216 2.600 -5.412 1.00 0.00 N ATOM 885 CA LEU A 58 0.953 3.202 -4.105 1.00 0.00 C ATOM 886 C LEU A 58 2.197 3.081 -3.213 1.00 0.00 C ATOM 887 O LEU A 58 2.586 4.038 -2.537 1.00 0.00 O ATOM 888 CB LEU A 58 -0.271 2.506 -3.472 1.00 0.00 C ATOM 889 CG LEU A 58 -0.801 3.085 -2.162 1.00 0.00 C ATOM 890 CD1 LEU A 58 -0.531 4.581 -2.056 1.00 0.00 C ATOM 891 CD2 LEU A 58 -2.295 2.832 -2.057 1.00 0.00 C ATOM 0 H LEU A 58 0.599 1.819 -5.638 1.00 0.00 H new ATOM 0 HA LEU A 58 0.731 4.263 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.082 2.520 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.014 1.461 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.278 2.589 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.923 4.955 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.543 4.761 -2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.020 5.098 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.669 3.247 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.804 3.309 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.485 1.759 -2.080 1.00 0.00 H new ATOM 903 N PHE A 59 2.815 1.902 -3.231 1.00 0.00 N ATOM 904 CA PHE A 59 4.113 1.678 -2.586 1.00 0.00 C ATOM 905 C PHE A 59 5.119 2.734 -3.043 1.00 0.00 C ATOM 906 O PHE A 59 5.702 3.446 -2.225 1.00 0.00 O ATOM 907 CB PHE A 59 4.619 0.263 -2.928 1.00 0.00 C ATOM 908 CG PHE A 59 6.069 0.001 -2.609 1.00 0.00 C ATOM 909 CD1 PHE A 59 6.500 -0.065 -1.298 1.00 0.00 C ATOM 910 CD2 PHE A 59 7.004 -0.180 -3.627 1.00 0.00 C ATOM 911 CE1 PHE A 59 7.827 -0.308 -1.002 1.00 0.00 C ATOM 912 CE2 PHE A 59 8.331 -0.421 -3.333 1.00 0.00 C ATOM 913 CZ PHE A 59 8.744 -0.486 -2.020 1.00 0.00 C ATOM 0 H PHE A 59 2.434 1.075 -3.691 1.00 0.00 H new ATOM 0 HA PHE A 59 3.999 1.762 -1.505 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.009 -0.463 -2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.461 0.086 -3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.791 0.075 -0.495 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.686 -0.131 -4.658 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.149 -0.359 0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.045 -0.559 -4.132 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.781 -0.676 -1.787 1.00 0.00 H new ATOM 923 N LEU A 60 5.279 2.835 -4.358 1.00 0.00 N ATOM 924 CA LEU A 60 6.193 3.790 -4.991 1.00 0.00 C ATOM 925 C LEU A 60 5.989 5.209 -4.485 1.00 0.00 C ATOM 926 O LEU A 60 6.941 5.899 -4.109 1.00 0.00 O ATOM 927 CB LEU A 60 5.976 3.784 -6.500 1.00 0.00 C ATOM 928 CG LEU A 60 6.785 2.787 -7.297 1.00 0.00 C ATOM 929 CD1 LEU A 60 8.262 3.100 -7.187 1.00 0.00 C ATOM 930 CD2 LEU A 60 6.519 1.360 -6.858 1.00 0.00 C ATOM 0 H LEU A 60 4.774 2.252 -5.025 1.00 0.00 H new ATOM 0 HA LEU A 60 7.206 3.477 -4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.920 3.596 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.196 4.782 -6.880 1.00 0.00 H new ATOM 0 HG LEU A 60 6.475 2.874 -8.338 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.832 2.374 -7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.452 4.101 -7.574 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.567 3.051 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.121 0.677 -7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.782 1.248 -5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.463 1.128 -6.995 1.00 0.00 H new ATOM 942 N GLN A 61 4.747 5.646 -4.529 1.00 0.00 N ATOM 943 CA GLN A 61 4.369 6.976 -4.066 1.00 0.00 C ATOM 944 C GLN A 61 4.826 7.219 -2.643 1.00 0.00 C ATOM 945 O GLN A 61 5.522 8.200 -2.370 1.00 0.00 O ATOM 946 CB GLN A 61 2.851 7.150 -4.163 1.00 0.00 C ATOM 947 CG GLN A 61 2.329 7.034 -5.567 1.00 0.00 C ATOM 948 CD GLN A 61 0.852 7.333 -5.695 1.00 0.00 C ATOM 949 OE1 GLN A 61 0.034 6.303 -5.602 1.00 0.00 O flip ATOM 950 NE2 GLN A 61 0.452 8.479 -5.904 1.00 0.00 N flip ATOM 0 H GLN A 61 3.967 5.093 -4.886 1.00 0.00 H new ATOM 0 HA GLN A 61 4.862 7.707 -4.706 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.365 6.400 -3.539 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.577 8.125 -3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.885 7.717 -6.209 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.519 6.025 -5.933 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.119 9.248 -5.969 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.546 8.659 -6.012 1.00 0.00 H new ATOM 959 N HIS A 62 4.430 6.341 -1.741 1.00 0.00 N ATOM 960 CA HIS A 62 4.853 6.460 -0.348 1.00 0.00 C ATOM 961 C HIS A 62 6.357 6.444 -0.249 1.00 0.00 C ATOM 962 O HIS A 62 6.934 7.187 0.535 1.00 0.00 O ATOM 963 CB HIS A 62 4.306 5.344 0.531 1.00 0.00 C ATOM 964 CG HIS A 62 4.510 5.629 1.965 1.00 0.00 C ATOM 965 ND1 HIS A 62 4.063 6.650 2.728 1.00 0.00 N flip ATOM 966 CD2 HIS A 62 5.269 4.838 2.783 1.00 0.00 C flip ATOM 967 CE1 HIS A 62 4.563 6.458 3.982 1.00 0.00 C flip ATOM 968 NE2 HIS A 62 5.283 5.356 3.980 1.00 0.00 N flip ATOM 0 H HIS A 62 3.824 5.545 -1.938 1.00 0.00 H new ATOM 0 HA HIS A 62 4.452 7.409 0.009 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.242 5.214 0.334 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.795 4.405 0.273 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.465 7.418 2.424 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.775 3.931 2.486 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.396 7.101 4.833 1.00 0.00 H new ATOM 977 N ILE A 63 6.978 5.579 -1.028 1.00 0.00 N ATOM 978 CA ILE A 63 8.423 5.521 -1.088 1.00 0.00 C ATOM 979 C ILE A 63 9.000 6.903 -1.303 1.00 0.00 C ATOM 980 O ILE A 63 9.828 7.352 -0.534 1.00 0.00 O ATOM 981 CB ILE A 63 8.908 4.589 -2.200 1.00 0.00 C ATOM 982 CG1 ILE A 63 8.644 3.153 -1.795 1.00 0.00 C ATOM 983 CG2 ILE A 63 10.386 4.813 -2.491 1.00 0.00 C ATOM 984 CD1 ILE A 63 9.365 2.737 -0.543 1.00 0.00 C ATOM 0 H ILE A 63 6.502 4.906 -1.629 1.00 0.00 H new ATOM 0 HA ILE A 63 8.769 5.124 -0.134 1.00 0.00 H new ATOM 0 HB ILE A 63 8.361 4.808 -3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.572 3.017 -1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.941 2.494 -2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.707 4.139 -3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.543 5.845 -2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.968 4.616 -1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.128 1.698 -0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.440 2.840 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.050 3.371 0.286 1.00 0.00 H new ATOM 996 N HIS A 64 8.485 7.590 -2.307 1.00 0.00 N ATOM 997 CA HIS A 64 8.983 8.897 -2.704 1.00 0.00 C ATOM 998 C HIS A 64 8.763 9.875 -1.579 1.00 0.00 C ATOM 999 O HIS A 64 9.597 10.725 -1.328 1.00 0.00 O ATOM 1000 CB HIS A 64 8.213 9.322 -3.959 1.00 0.00 C ATOM 1001 CG HIS A 64 8.426 10.712 -4.402 1.00 0.00 C ATOM 1002 ND1 HIS A 64 8.226 11.728 -3.553 1.00 0.00 N ATOM 1003 CD2 HIS A 64 8.813 11.252 -5.579 1.00 0.00 C ATOM 1004 CE1 HIS A 64 8.484 12.871 -4.153 1.00 0.00 C ATOM 1005 NE2 HIS A 64 8.841 12.610 -5.398 1.00 0.00 N ATOM 0 H HIS A 64 7.705 7.256 -2.874 1.00 0.00 H new ATOM 0 HA HIS A 64 10.051 8.867 -2.920 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.489 8.654 -4.775 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.148 9.178 -3.775 1.00 0.00 H new ATOM 0 HD2 HIS A 64 9.053 10.717 -6.486 1.00 0.00 H new ATOM 0 HE1 HIS A 64 8.416 13.852 -3.705 1.00 0.00 H new ATOM 0 HE2 HIS A 64 9.094 13.301 -6.104 1.00 0.00 H new ATOM 1014 N ARG A 65 7.612 9.793 -0.961 1.00 0.00 N ATOM 1015 CA ARG A 65 7.304 10.571 0.200 1.00 0.00 C ATOM 1016 C ARG A 65 8.309 10.363 1.324 1.00 0.00 C ATOM 1017 O ARG A 65 8.854 11.316 1.876 1.00 0.00 O ATOM 1018 CB ARG A 65 5.942 10.163 0.577 1.00 0.00 C ATOM 1019 CG ARG A 65 4.982 10.724 -0.380 1.00 0.00 C ATOM 1020 CD ARG A 65 3.742 9.915 -0.415 1.00 0.00 C ATOM 1021 NE ARG A 65 2.552 10.742 -0.574 1.00 0.00 N ATOM 1022 CZ ARG A 65 1.933 10.945 -1.733 1.00 0.00 C ATOM 1023 NH1 ARG A 65 2.388 10.371 -2.838 1.00 0.00 N ATOM 1024 NH2 ARG A 65 0.865 11.728 -1.787 1.00 0.00 N ATOM 0 H ARG A 65 6.857 9.175 -1.258 1.00 0.00 H new ATOM 0 HA ARG A 65 7.360 11.640 -0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.867 9.076 0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.713 10.510 1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.744 11.751 -0.104 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.429 10.757 -1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.799 9.201 -1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.661 9.337 0.505 1.00 0.00 H new ATOM 0 HE ARG A 65 2.170 11.194 0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.214 9.773 -2.799 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.913 10.527 -3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.517 12.175 -0.939 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.391 11.883 -2.677 1.00 0.00 H new ATOM 1038 N LEU A 66 8.530 9.098 1.637 1.00 0.00 N ATOM 1039 CA LEU A 66 9.616 8.657 2.526 1.00 0.00 C ATOM 1040 C LEU A 66 10.921 9.326 2.155 1.00 0.00 C ATOM 1041 O LEU A 66 11.656 9.833 2.998 1.00 0.00 O ATOM 1042 CB LEU A 66 9.763 7.141 2.391 1.00 0.00 C ATOM 1043 CG LEU A 66 8.550 6.368 2.829 1.00 0.00 C ATOM 1044 CD1 LEU A 66 8.736 4.884 2.591 1.00 0.00 C ATOM 1045 CD2 LEU A 66 8.270 6.645 4.282 1.00 0.00 C ATOM 0 H LEU A 66 7.959 8.331 1.282 1.00 0.00 H new ATOM 0 HA LEU A 66 9.374 8.930 3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.980 6.898 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.621 6.816 2.980 1.00 0.00 H new ATOM 0 HG LEU A 66 7.695 6.692 2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.844 4.349 2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.900 4.704 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.598 4.530 3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.390 6.083 4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.128 6.342 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.089 7.711 4.421 1.00 0.00 H new ATOM 1057 N LYS A 67 11.190 9.291 0.879 1.00 0.00 N ATOM 1058 CA LYS A 67 12.356 9.911 0.303 1.00 0.00 C ATOM 1059 C LYS A 67 12.340 11.428 0.492 1.00 0.00 C ATOM 1060 O LYS A 67 13.292 12.015 1.004 1.00 0.00 O ATOM 1061 CB LYS A 67 12.362 9.559 -1.179 1.00 0.00 C ATOM 1062 CG LYS A 67 12.291 8.081 -1.409 1.00 0.00 C ATOM 1063 CD LYS A 67 12.708 7.665 -2.799 1.00 0.00 C ATOM 1064 CE LYS A 67 12.224 8.629 -3.863 1.00 0.00 C ATOM 1065 NZ LYS A 67 12.262 8.026 -5.214 1.00 0.00 N ATOM 0 H LYS A 67 10.595 8.822 0.196 1.00 0.00 H new ATOM 0 HA LYS A 67 13.256 9.546 0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.517 10.042 -1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.267 9.954 -1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.928 7.578 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.271 7.742 -1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.795 7.596 -2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.316 6.670 -3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.205 8.941 -3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.843 9.526 -3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.923 8.718 -5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.238 7.751 -5.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.651 7.184 -5.236 1.00 0.00 H new ATOM 1079 N HIS A 68 11.234 12.038 0.084 1.00 0.00 N ATOM 1080 CA HIS A 68 11.094 13.471 0.007 1.00 0.00 C ATOM 1081 C HIS A 68 9.720 13.826 -0.549 1.00 0.00 C ATOM 1082 O HIS A 68 9.528 13.839 -1.756 1.00 0.00 O ATOM 1083 CB HIS A 68 12.181 14.071 -0.887 1.00 0.00 C ATOM 1084 CG HIS A 68 12.308 13.449 -2.246 1.00 0.00 C ATOM 1085 ND1 HIS A 68 11.621 12.322 -2.604 1.00 0.00 N ATOM 1086 CD2 HIS A 68 13.044 13.799 -3.328 1.00 0.00 C ATOM 1087 CE1 HIS A 68 11.929 11.993 -3.842 1.00 0.00 C ATOM 1088 NE2 HIS A 68 12.787 12.872 -4.306 1.00 0.00 N ATOM 0 H HIS A 68 10.397 11.532 -0.207 1.00 0.00 H new ATOM 0 HA HIS A 68 11.199 13.884 1.010 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.981 15.135 -1.010 1.00 0.00 H new ATOM 0 HB3 HIS A 68 13.139 13.984 -0.375 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.708 14.647 -3.406 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.541 11.143 -4.384 1.00 0.00 H new ATOM 0 HE2 HIS A 68 13.196 12.866 -5.241 1.00 0.00 H new ATOM 1097 N GLU A 69 8.759 14.082 0.316 1.00 0.00 N ATOM 1098 CA GLU A 69 7.408 14.375 -0.150 1.00 0.00 C ATOM 1099 C GLU A 69 7.392 15.674 -0.952 1.00 0.00 C ATOM 1100 O GLU A 69 7.676 16.740 -0.369 1.00 0.00 O ATOM 1101 CB GLU A 69 6.407 14.470 0.999 1.00 0.00 C ATOM 1102 CG GLU A 69 4.997 14.121 0.559 1.00 0.00 C ATOM 1103 CD GLU A 69 3.933 14.742 1.438 1.00 0.00 C ATOM 1104 OE1 GLU A 69 3.543 15.898 1.182 1.00 0.00 O ATOM 1105 OE2 GLU A 69 3.475 14.078 2.390 1.00 0.00 O ATOM 1106 OXT GLU A 69 7.102 15.620 -2.166 1.00 0.00 O ATOM 0 H GLU A 69 8.879 14.095 1.329 1.00 0.00 H new ATOM 0 HA GLU A 69 7.105 13.544 -0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.712 13.799 1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.419 15.481 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.850 14.453 -0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.878 13.038 0.564 1.00 0.00 H new TER 1113 GLU A 69