USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 759 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 36 SER OG : rot 179:sc=-0.00368 USER MOD Set 1.2: A 102 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.53) USER MOD Set 2.1: A 8 ASN : amide:sc= 0.0353 K(o=0.15,f=-1.4) USER MOD Set 2.2: A 12 SER OG : rot 180:sc= 0.112 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 1.13 K(o=1.1,f=-0.05) USER MOD Single : A 6 THR OG1 : rot 72:sc= 0.103 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.0702 K(o=-0.07,f=-1.6!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 19 TYR OH : rot 154:sc= 0.159 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 55:sc= 1.27 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 65:sc= 1.24 USER MOD Single : A 37 TYR OH : rot 104:sc= 1.07 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= 0.449 (180deg=-0.77!) USER MOD Single : A 53 MET CE :methyl 180:sc= -0.128 (180deg=-0.128) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc=-0.00385 X(o=-0.0039,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -160:sc= 0.158 USER MOD Single : A 85 GLN : amide:sc= -0.0724 X(o=-0.072,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -154:sc= 0.99 (180deg=0.294) USER MOD Single : A 93 ASN : amide:sc= -0.747 K(o=-0.75,f=-2.2!) USER MOD Single : A 99 LYS NZ :NH3+ -168:sc= -0.408 (180deg=-0.866) USER MOD Single : A 101 HIS : no HE2:sc= 1.03 K(o=1,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 33.768 6.576 13.624 1.00 0.00 N ATOM 2 CA ALA A 1 33.252 7.853 13.089 1.00 0.00 C ATOM 3 C ALA A 1 31.746 7.920 13.264 1.00 0.00 C ATOM 4 O ALA A 1 31.040 6.955 12.977 1.00 0.00 O ATOM 5 CB ALA A 1 33.619 8.000 11.620 1.00 0.00 C ATOM 0 H1 ALA A 1 34.800 6.539 13.500 1.00 0.00 H new ATOM 0 H2 ALA A 1 33.538 6.505 14.636 1.00 0.00 H new ATOM 0 H3 ALA A 1 33.329 5.783 13.113 1.00 0.00 H new ATOM 0 HA ALA A 1 33.708 8.674 13.643 1.00 0.00 H new ATOM 0 HB1 ALA A 1 33.232 8.946 11.241 1.00 0.00 H new ATOM 0 HB2 ALA A 1 34.704 7.983 11.512 1.00 0.00 H new ATOM 0 HB3 ALA A 1 33.185 7.177 11.052 1.00 0.00 H new ATOM 13 N GLU A 2 31.254 9.053 13.737 1.00 0.00 N ATOM 14 CA GLU A 2 29.828 9.230 13.949 1.00 0.00 C ATOM 15 C GLU A 2 29.252 10.150 12.884 1.00 0.00 C ATOM 16 O GLU A 2 28.340 9.763 12.149 1.00 0.00 O ATOM 17 CB GLU A 2 29.563 9.803 15.341 1.00 0.00 C ATOM 18 CG GLU A 2 29.584 8.757 16.442 1.00 0.00 C ATOM 19 CD GLU A 2 28.379 7.844 16.396 1.00 0.00 C ATOM 20 OE1 GLU A 2 27.329 8.259 15.870 1.00 0.00 O ATOM 21 OE2 GLU A 2 28.469 6.704 16.898 1.00 0.00 O ATOM 0 H GLU A 2 31.822 9.864 13.981 1.00 0.00 H new ATOM 0 HA GLU A 2 29.341 8.258 13.876 1.00 0.00 H new ATOM 0 HB2 GLU A 2 30.312 10.564 15.560 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.593 10.300 15.342 1.00 0.00 H new ATOM 0 HG2 GLU A 2 30.492 8.160 16.354 1.00 0.00 H new ATOM 0 HG3 GLU A 2 29.622 9.255 17.411 1.00 0.00 H new ATOM 28 N PHE A 3 29.812 11.364 12.809 1.00 0.00 N ATOM 29 CA PHE A 3 29.406 12.390 11.836 1.00 0.00 C ATOM 30 C PHE A 3 28.009 12.930 12.147 1.00 0.00 C ATOM 31 O PHE A 3 27.815 14.131 12.338 1.00 0.00 O ATOM 32 CB PHE A 3 29.433 11.842 10.398 1.00 0.00 C ATOM 33 CG PHE A 3 30.810 11.551 9.864 1.00 0.00 C ATOM 34 CD1 PHE A 3 31.942 11.803 10.621 1.00 0.00 C ATOM 35 CD2 PHE A 3 30.965 11.026 8.592 1.00 0.00 C ATOM 36 CE1 PHE A 3 33.201 11.537 10.121 1.00 0.00 C ATOM 37 CE2 PHE A 3 32.222 10.757 8.086 1.00 0.00 C ATOM 38 CZ PHE A 3 33.341 11.012 8.852 1.00 0.00 C ATOM 0 H PHE A 3 30.566 11.666 13.426 1.00 0.00 H new ATOM 0 HA PHE A 3 30.126 13.204 11.917 1.00 0.00 H new ATOM 0 HB2 PHE A 3 28.842 10.927 10.361 1.00 0.00 H new ATOM 0 HB3 PHE A 3 28.947 12.562 9.740 1.00 0.00 H new ATOM 0 HD1 PHE A 3 31.839 12.213 11.615 1.00 0.00 H new ATOM 0 HD2 PHE A 3 30.093 10.824 7.988 1.00 0.00 H new ATOM 0 HE1 PHE A 3 34.075 11.739 10.722 1.00 0.00 H new ATOM 0 HE2 PHE A 3 32.329 10.348 7.092 1.00 0.00 H new ATOM 0 HZ PHE A 3 34.325 10.801 8.459 1.00 0.00 H new ATOM 48 N GLY A 4 27.052 12.025 12.175 1.00 0.00 N ATOM 49 CA GLY A 4 25.670 12.369 12.426 1.00 0.00 C ATOM 50 C GLY A 4 24.755 11.224 12.044 1.00 0.00 C ATOM 51 O GLY A 4 23.535 11.320 12.174 1.00 0.00 O ATOM 0 H GLY A 4 27.212 11.029 12.024 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.536 12.612 13.480 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.403 13.260 11.857 1.00 0.00 H new ATOM 55 N ASN A 5 25.369 10.133 11.565 1.00 0.00 N ATOM 56 CA ASN A 5 24.652 8.927 11.141 1.00 0.00 C ATOM 57 C ASN A 5 23.761 9.221 9.936 1.00 0.00 C ATOM 58 O ASN A 5 22.841 8.465 9.625 1.00 0.00 O ATOM 59 CB ASN A 5 23.822 8.324 12.289 1.00 0.00 C ATOM 60 CG ASN A 5 24.546 8.347 13.626 1.00 0.00 C ATOM 61 OD1 ASN A 5 24.046 8.909 14.603 1.00 0.00 O ATOM 62 ND2 ASN A 5 25.723 7.743 13.684 1.00 0.00 N ATOM 0 H ASN A 5 26.381 10.064 11.461 1.00 0.00 H new ATOM 0 HA ASN A 5 25.401 8.190 10.850 1.00 0.00 H new ATOM 0 HB2 ASN A 5 22.886 8.875 12.380 1.00 0.00 H new ATOM 0 HB3 ASN A 5 23.563 7.295 12.040 1.00 0.00 H new ATOM 0 HD21 ASN A 5 26.248 7.732 14.558 1.00 0.00 H new ATOM 0 HD22 ASN A 5 26.104 7.289 12.854 1.00 0.00 H new ATOM 69 N THR A 6 24.057 10.317 9.251 1.00 0.00 N ATOM 70 CA THR A 6 23.310 10.716 8.071 1.00 0.00 C ATOM 71 C THR A 6 23.795 9.958 6.839 1.00 0.00 C ATOM 72 O THR A 6 24.490 10.510 5.983 1.00 0.00 O ATOM 73 CB THR A 6 23.456 12.231 7.834 1.00 0.00 C ATOM 74 OG1 THR A 6 24.415 12.771 8.759 1.00 0.00 O ATOM 75 CG2 THR A 6 22.121 12.937 8.013 1.00 0.00 C ATOM 0 H THR A 6 24.818 10.950 9.498 1.00 0.00 H new ATOM 0 HA THR A 6 22.260 10.476 8.240 1.00 0.00 H new ATOM 0 HB THR A 6 23.798 12.392 6.811 1.00 0.00 H new ATOM 0 HG1 THR A 6 25.315 12.480 8.504 1.00 0.00 H new ATOM 0 HG21 THR A 6 22.249 14.006 7.841 1.00 0.00 H new ATOM 0 HG22 THR A 6 21.400 12.538 7.300 1.00 0.00 H new ATOM 0 HG23 THR A 6 21.756 12.774 9.027 1.00 0.00 H new ATOM 83 N LYS A 7 23.469 8.676 6.779 1.00 0.00 N ATOM 84 CA LYS A 7 23.914 7.834 5.686 1.00 0.00 C ATOM 85 C LYS A 7 22.807 6.893 5.237 1.00 0.00 C ATOM 86 O LYS A 7 22.163 6.244 6.063 1.00 0.00 O ATOM 87 CB LYS A 7 25.139 7.024 6.111 1.00 0.00 C ATOM 88 CG LYS A 7 25.932 6.465 4.944 1.00 0.00 C ATOM 89 CD LYS A 7 27.374 6.192 5.334 1.00 0.00 C ATOM 90 CE LYS A 7 28.213 5.798 4.129 1.00 0.00 C ATOM 91 NZ LYS A 7 29.610 5.469 4.512 1.00 0.00 N ATOM 0 H LYS A 7 22.898 8.198 7.476 1.00 0.00 H new ATOM 0 HA LYS A 7 24.180 8.479 4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 7 25.791 7.656 6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 7 24.817 6.200 6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 7 25.467 5.543 4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 7 25.905 7.170 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 7 27.800 7.080 5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 7 27.406 5.395 6.077 1.00 0.00 H new ATOM 0 HE2 LYS A 7 27.759 4.938 3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 7 28.217 6.614 3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 30.150 5.205 3.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 30.051 6.297 4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 29.608 4.673 5.182 1.00 0.00 H new ATOM 105 N ASN A 8 22.671 6.734 3.928 1.00 0.00 N ATOM 106 CA ASN A 8 21.734 5.767 3.369 1.00 0.00 C ATOM 107 C ASN A 8 22.368 4.384 3.394 1.00 0.00 C ATOM 108 O ASN A 8 22.893 3.902 2.388 1.00 0.00 O ATOM 109 CB ASN A 8 21.351 6.155 1.936 1.00 0.00 C ATOM 110 CG ASN A 8 20.164 5.367 1.407 1.00 0.00 C ATOM 111 OD1 ASN A 8 19.013 5.768 1.576 1.00 0.00 O ATOM 112 ND2 ASN A 8 20.436 4.243 0.762 1.00 0.00 N ATOM 0 H ASN A 8 23.198 7.262 3.232 1.00 0.00 H new ATOM 0 HA ASN A 8 20.825 5.759 3.970 1.00 0.00 H new ATOM 0 HB2 ASN A 8 21.118 7.219 1.903 1.00 0.00 H new ATOM 0 HB3 ASN A 8 22.207 5.996 1.281 1.00 0.00 H new ATOM 0 HD21 ASN A 8 19.677 3.675 0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 8 21.404 3.945 0.643 1.00 0.00 H new ATOM 119 N ASN A 9 22.427 3.809 4.582 1.00 0.00 N ATOM 120 CA ASN A 9 23.117 2.547 4.787 1.00 0.00 C ATOM 121 C ASN A 9 22.120 1.402 4.912 1.00 0.00 C ATOM 122 O ASN A 9 20.913 1.627 5.019 1.00 0.00 O ATOM 123 CB ASN A 9 24.024 2.645 6.025 1.00 0.00 C ATOM 124 CG ASN A 9 23.430 2.016 7.274 1.00 0.00 C ATOM 125 OD1 ASN A 9 23.876 0.958 7.716 1.00 0.00 O ATOM 126 ND2 ASN A 9 22.433 2.667 7.858 1.00 0.00 N ATOM 0 H ASN A 9 22.003 4.198 5.424 1.00 0.00 H new ATOM 0 HA ASN A 9 23.744 2.337 3.920 1.00 0.00 H new ATOM 0 HB2 ASN A 9 24.976 2.163 5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 9 24.237 3.695 6.225 1.00 0.00 H new ATOM 0 HD21 ASN A 9 22.007 2.293 8.706 1.00 0.00 H new ATOM 0 HD22 ASN A 9 22.092 3.542 7.459 1.00 0.00 H new ATOM 133 N GLY A 10 22.622 0.181 4.816 1.00 0.00 N ATOM 134 CA GLY A 10 21.759 -0.978 4.842 1.00 0.00 C ATOM 135 C GLY A 10 21.598 -1.584 3.467 1.00 0.00 C ATOM 136 O GLY A 10 22.540 -1.587 2.669 1.00 0.00 O ATOM 0 H GLY A 10 23.616 -0.027 4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 10 22.171 -1.723 5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 10 20.781 -0.695 5.232 1.00 0.00 H new ATOM 140 N ALA A 11 20.401 -2.061 3.171 1.00 0.00 N ATOM 141 CA ALA A 11 20.110 -2.636 1.870 1.00 0.00 C ATOM 142 C ALA A 11 18.725 -2.225 1.398 1.00 0.00 C ATOM 143 O ALA A 11 17.729 -2.849 1.759 1.00 0.00 O ATOM 144 CB ALA A 11 20.225 -4.152 1.924 1.00 0.00 C ATOM 0 H ALA A 11 19.612 -2.061 3.818 1.00 0.00 H new ATOM 0 HA ALA A 11 20.841 -2.256 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.004 -4.569 0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 11 21.238 -4.430 2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.516 -4.545 2.653 1.00 0.00 H new ATOM 150 N SER A 12 18.669 -1.182 0.577 1.00 0.00 N ATOM 151 CA SER A 12 17.402 -0.699 0.039 1.00 0.00 C ATOM 152 C SER A 12 16.874 -1.660 -1.023 1.00 0.00 C ATOM 153 O SER A 12 15.665 -1.765 -1.239 1.00 0.00 O ATOM 154 CB SER A 12 17.578 0.700 -0.551 1.00 0.00 C ATOM 155 OG SER A 12 18.894 1.186 -0.327 1.00 0.00 O ATOM 0 H SER A 12 19.486 -0.655 0.269 1.00 0.00 H new ATOM 0 HA SER A 12 16.676 -0.647 0.850 1.00 0.00 H new ATOM 0 HB2 SER A 12 17.373 0.675 -1.621 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.854 1.381 -0.103 1.00 0.00 H new ATOM 0 HG SER A 12 18.982 2.082 -0.715 1.00 0.00 H new ATOM 161 N GLY A 13 17.778 -2.448 -1.592 1.00 0.00 N ATOM 162 CA GLY A 13 17.372 -3.486 -2.515 1.00 0.00 C ATOM 163 C GLY A 13 16.693 -4.621 -1.784 1.00 0.00 C ATOM 164 O GLY A 13 17.097 -4.960 -0.671 1.00 0.00 O ATOM 0 H GLY A 13 18.783 -2.386 -1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 13 16.694 -3.071 -3.260 1.00 0.00 H new ATOM 0 HA3 GLY A 13 18.243 -3.863 -3.051 1.00 0.00 H new ATOM 168 N ALA A 14 15.579 -5.097 -2.348 1.00 0.00 N ATOM 169 CA ALA A 14 14.711 -6.096 -1.713 1.00 0.00 C ATOM 170 C ALA A 14 13.857 -5.464 -0.617 1.00 0.00 C ATOM 171 O ALA A 14 12.705 -5.848 -0.424 1.00 0.00 O ATOM 172 CB ALA A 14 15.507 -7.278 -1.166 1.00 0.00 C ATOM 0 H ALA A 14 15.251 -4.798 -3.266 1.00 0.00 H new ATOM 0 HA ALA A 14 14.046 -6.481 -2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 14 14.826 -7.993 -0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.045 -7.763 -1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 14 16.220 -6.923 -0.421 1.00 0.00 H new ATOM 178 N ASP A 15 14.404 -4.450 0.047 1.00 0.00 N ATOM 179 CA ASP A 15 13.674 -3.708 1.074 1.00 0.00 C ATOM 180 C ASP A 15 12.444 -3.040 0.472 1.00 0.00 C ATOM 181 O ASP A 15 11.326 -3.220 0.956 1.00 0.00 O ATOM 182 CB ASP A 15 14.574 -2.647 1.709 1.00 0.00 C ATOM 183 CG ASP A 15 14.214 -2.352 3.152 1.00 0.00 C ATOM 184 OD1 ASP A 15 13.145 -2.807 3.611 1.00 0.00 O ATOM 185 OD2 ASP A 15 15.004 -1.665 3.837 1.00 0.00 O ATOM 0 H ASP A 15 15.357 -4.121 -0.108 1.00 0.00 H new ATOM 0 HA ASP A 15 13.358 -4.412 1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.610 -2.981 1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.507 -1.727 1.128 1.00 0.00 H new ATOM 190 N ILE A 16 12.654 -2.315 -0.623 1.00 0.00 N ATOM 191 CA ILE A 16 11.556 -1.668 -1.333 1.00 0.00 C ATOM 192 C ILE A 16 10.610 -2.710 -1.929 1.00 0.00 C ATOM 193 O ILE A 16 9.389 -2.559 -1.877 1.00 0.00 O ATOM 194 CB ILE A 16 12.069 -0.747 -2.462 1.00 0.00 C ATOM 195 CG1 ILE A 16 13.124 0.220 -1.925 1.00 0.00 C ATOM 196 CG2 ILE A 16 10.915 0.024 -3.090 1.00 0.00 C ATOM 197 CD1 ILE A 16 14.024 0.794 -2.999 1.00 0.00 C ATOM 0 H ILE A 16 13.573 -2.161 -1.037 1.00 0.00 H new ATOM 0 HA ILE A 16 11.021 -1.060 -0.604 1.00 0.00 H new ATOM 0 HB ILE A 16 12.527 -1.369 -3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 16 12.624 1.038 -1.406 1.00 0.00 H new ATOM 0 HG13 ILE A 16 13.737 -0.298 -1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.296 0.667 -3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.193 -0.678 -3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.429 0.635 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 16 14.747 1.471 -2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 16 14.552 -0.016 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 16 13.422 1.341 -3.725 1.00 0.00 H new ATOM 209 N ASN A 17 11.181 -3.774 -2.482 1.00 0.00 N ATOM 210 CA ASN A 17 10.389 -4.851 -3.075 1.00 0.00 C ATOM 211 C ASN A 17 9.459 -5.474 -2.037 1.00 0.00 C ATOM 212 O ASN A 17 8.277 -5.705 -2.302 1.00 0.00 O ATOM 213 CB ASN A 17 11.304 -5.928 -3.658 1.00 0.00 C ATOM 214 CG ASN A 17 10.643 -6.717 -4.773 1.00 0.00 C ATOM 215 OD1 ASN A 17 9.507 -6.440 -5.161 1.00 0.00 O ATOM 216 ND2 ASN A 17 11.352 -7.704 -5.298 1.00 0.00 N ATOM 0 H ASN A 17 12.190 -3.916 -2.533 1.00 0.00 H new ATOM 0 HA ASN A 17 9.785 -4.423 -3.876 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.212 -5.460 -4.038 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.606 -6.611 -2.864 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.961 -8.268 -6.053 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.290 -7.901 -4.948 1.00 0.00 H new ATOM 223 N ASN A 18 10.003 -5.733 -0.854 1.00 0.00 N ATOM 224 CA ASN A 18 9.240 -6.321 0.239 1.00 0.00 C ATOM 225 C ASN A 18 8.176 -5.350 0.746 1.00 0.00 C ATOM 226 O ASN A 18 7.025 -5.732 0.952 1.00 0.00 O ATOM 227 CB ASN A 18 10.182 -6.725 1.381 1.00 0.00 C ATOM 228 CG ASN A 18 9.453 -7.034 2.679 1.00 0.00 C ATOM 229 OD1 ASN A 18 9.241 -6.154 3.515 1.00 0.00 O ATOM 230 ND2 ASN A 18 9.073 -8.290 2.858 1.00 0.00 N ATOM 0 H ASN A 18 10.979 -5.543 -0.627 1.00 0.00 H new ATOM 0 HA ASN A 18 8.734 -7.211 -0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.756 -7.600 1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.896 -5.920 1.556 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.586 -8.558 3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.268 -8.989 2.141 1.00 0.00 H new ATOM 237 N TYR A 19 8.582 -4.109 0.996 1.00 0.00 N ATOM 238 CA TYR A 19 7.683 -3.099 1.550 1.00 0.00 C ATOM 239 C TYR A 19 6.489 -2.840 0.628 1.00 0.00 C ATOM 240 O TYR A 19 5.375 -2.613 1.100 1.00 0.00 O ATOM 241 CB TYR A 19 8.462 -1.804 1.851 1.00 0.00 C ATOM 242 CG TYR A 19 7.979 -0.565 1.116 1.00 0.00 C ATOM 243 CD1 TYR A 19 8.463 -0.255 -0.148 1.00 0.00 C ATOM 244 CD2 TYR A 19 7.052 0.295 1.690 1.00 0.00 C ATOM 245 CE1 TYR A 19 8.038 0.872 -0.821 1.00 0.00 C ATOM 246 CE2 TYR A 19 6.622 1.429 1.024 1.00 0.00 C ATOM 247 CZ TYR A 19 7.119 1.710 -0.233 1.00 0.00 C ATOM 248 OH TYR A 19 6.699 2.836 -0.902 1.00 0.00 O ATOM 0 H TYR A 19 9.531 -3.777 0.823 1.00 0.00 H new ATOM 0 HA TYR A 19 7.277 -3.479 2.487 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.413 -1.612 2.923 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.511 -1.966 1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.186 -0.909 -0.613 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.660 0.075 2.672 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.425 1.095 -1.804 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.902 2.090 1.484 1.00 0.00 H new ATOM 0 HH TYR A 19 5.805 3.088 -0.589 1.00 0.00 H new ATOM 258 N ALA A 20 6.716 -2.913 -0.679 1.00 0.00 N ATOM 259 CA ALA A 20 5.649 -2.718 -1.654 1.00 0.00 C ATOM 260 C ALA A 20 4.589 -3.807 -1.529 1.00 0.00 C ATOM 261 O ALA A 20 3.389 -3.531 -1.569 1.00 0.00 O ATOM 262 CB ALA A 20 6.221 -2.693 -3.061 1.00 0.00 C ATOM 0 H ALA A 20 7.630 -3.106 -1.088 1.00 0.00 H new ATOM 0 HA ALA A 20 5.173 -1.759 -1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.414 -2.547 -3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.937 -1.876 -3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.723 -3.638 -3.267 1.00 0.00 H new ATOM 268 N GLY A 21 5.039 -5.036 -1.315 1.00 0.00 N ATOM 269 CA GLY A 21 4.119 -6.138 -1.118 1.00 0.00 C ATOM 270 C GLY A 21 3.472 -6.096 0.252 1.00 0.00 C ATOM 271 O GLY A 21 2.344 -6.562 0.433 1.00 0.00 O ATOM 0 H GLY A 21 6.026 -5.289 -1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.346 -6.107 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.651 -7.081 -1.239 1.00 0.00 H new ATOM 275 N GLN A 22 4.193 -5.538 1.218 1.00 0.00 N ATOM 276 CA GLN A 22 3.705 -5.431 2.586 1.00 0.00 C ATOM 277 C GLN A 22 2.458 -4.561 2.654 1.00 0.00 C ATOM 278 O GLN A 22 1.539 -4.855 3.409 1.00 0.00 O ATOM 279 CB GLN A 22 4.790 -4.855 3.496 1.00 0.00 C ATOM 280 CG GLN A 22 5.818 -5.884 3.930 1.00 0.00 C ATOM 281 CD GLN A 22 5.461 -6.555 5.239 1.00 0.00 C ATOM 282 OE1 GLN A 22 4.310 -6.929 5.474 1.00 0.00 O ATOM 283 NE2 GLN A 22 6.448 -6.720 6.099 1.00 0.00 N ATOM 0 H GLN A 22 5.125 -5.150 1.076 1.00 0.00 H new ATOM 0 HA GLN A 22 3.447 -6.433 2.929 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.297 -4.042 2.976 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.321 -4.424 4.381 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.916 -6.642 3.153 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.790 -5.401 4.028 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.387 -6.396 5.866 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.272 -7.171 6.997 1.00 0.00 H new ATOM 292 N ILE A 23 2.424 -3.505 1.844 1.00 0.00 N ATOM 293 CA ILE A 23 1.273 -2.604 1.801 1.00 0.00 C ATOM 294 C ILE A 23 0.004 -3.367 1.437 1.00 0.00 C ATOM 295 O ILE A 23 -1.043 -3.189 2.058 1.00 0.00 O ATOM 296 CB ILE A 23 1.481 -1.457 0.787 1.00 0.00 C ATOM 297 CG1 ILE A 23 2.773 -0.698 1.091 1.00 0.00 C ATOM 298 CG2 ILE A 23 0.293 -0.502 0.801 1.00 0.00 C ATOM 299 CD1 ILE A 23 3.436 -0.120 -0.139 1.00 0.00 C ATOM 0 H ILE A 23 3.180 -3.252 1.208 1.00 0.00 H new ATOM 0 HA ILE A 23 1.170 -2.173 2.797 1.00 0.00 H new ATOM 0 HB ILE A 23 1.560 -1.895 -0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.555 0.109 1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.472 -1.370 1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.461 0.298 0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.614 -1.046 0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.182 -0.074 1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.346 0.405 0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.686 -0.925 -0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.755 0.578 -0.626 1.00 0.00 H new ATOM 311 N LYS A 24 0.113 -4.227 0.435 1.00 0.00 N ATOM 312 CA LYS A 24 -1.015 -5.030 -0.013 1.00 0.00 C ATOM 313 C LYS A 24 -1.469 -5.996 1.078 1.00 0.00 C ATOM 314 O LYS A 24 -2.665 -6.165 1.315 1.00 0.00 O ATOM 315 CB LYS A 24 -0.643 -5.813 -1.273 1.00 0.00 C ATOM 316 CG LYS A 24 -0.319 -4.933 -2.466 1.00 0.00 C ATOM 317 CD LYS A 24 -0.378 -5.717 -3.764 1.00 0.00 C ATOM 318 CE LYS A 24 -0.796 -4.835 -4.927 1.00 0.00 C ATOM 319 NZ LYS A 24 -0.035 -5.151 -6.165 1.00 0.00 N ATOM 0 H LYS A 24 0.976 -4.387 -0.085 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.838 -4.353 -0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.217 -6.446 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.468 -6.475 -1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.023 -4.102 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.675 -4.503 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.598 -6.155 -3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.082 -6.542 -3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.862 -4.962 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.641 -3.789 -4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.350 -4.527 -6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.981 -5.005 -5.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.203 -6.142 -6.432 1.00 0.00 H new ATOM 333 N SER A 25 -0.511 -6.663 1.706 1.00 0.00 N ATOM 334 CA SER A 25 -0.823 -7.651 2.727 1.00 0.00 C ATOM 335 C SER A 25 -1.311 -6.989 4.013 1.00 0.00 C ATOM 336 O SER A 25 -2.128 -7.559 4.728 1.00 0.00 O ATOM 337 CB SER A 25 0.398 -8.532 3.002 1.00 0.00 C ATOM 338 OG SER A 25 0.479 -9.587 2.056 1.00 0.00 O ATOM 0 H SER A 25 0.485 -6.538 1.527 1.00 0.00 H new ATOM 0 HA SER A 25 -1.632 -8.279 2.353 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.305 -7.929 2.960 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.336 -8.944 4.009 1.00 0.00 H new ATOM 0 HG SER A 25 1.267 -10.138 2.247 1.00 0.00 H new ATOM 344 N ALA A 26 -0.819 -5.785 4.294 1.00 0.00 N ATOM 345 CA ALA A 26 -1.217 -5.042 5.491 1.00 0.00 C ATOM 346 C ALA A 26 -2.724 -4.830 5.528 1.00 0.00 C ATOM 347 O ALA A 26 -3.370 -5.038 6.557 1.00 0.00 O ATOM 348 CB ALA A 26 -0.507 -3.697 5.544 1.00 0.00 C ATOM 0 H ALA A 26 -0.141 -5.300 3.707 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.929 -5.633 6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.815 -3.158 6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.571 -3.855 5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.768 -3.113 4.662 1.00 0.00 H new ATOM 354 N ILE A 27 -3.278 -4.418 4.395 1.00 0.00 N ATOM 355 CA ILE A 27 -4.707 -4.173 4.280 1.00 0.00 C ATOM 356 C ILE A 27 -5.508 -5.445 4.557 1.00 0.00 C ATOM 357 O ILE A 27 -6.498 -5.422 5.290 1.00 0.00 O ATOM 358 CB ILE A 27 -5.061 -3.630 2.880 1.00 0.00 C ATOM 359 CG1 ILE A 27 -4.255 -2.360 2.589 1.00 0.00 C ATOM 360 CG2 ILE A 27 -6.553 -3.362 2.767 1.00 0.00 C ATOM 361 CD1 ILE A 27 -4.523 -1.765 1.222 1.00 0.00 C ATOM 0 H ILE A 27 -2.753 -4.246 3.537 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.971 -3.424 5.027 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.800 -4.384 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.483 -1.614 3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.192 -2.588 2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.780 -2.980 1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.103 -4.288 2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.848 -2.625 3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.916 -0.869 1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.268 -2.493 0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.578 -1.504 1.139 1.00 0.00 H new ATOM 373 N GLU A 28 -5.066 -6.557 3.984 1.00 0.00 N ATOM 374 CA GLU A 28 -5.741 -7.835 4.178 1.00 0.00 C ATOM 375 C GLU A 28 -5.475 -8.405 5.571 1.00 0.00 C ATOM 376 O GLU A 28 -6.270 -9.181 6.091 1.00 0.00 O ATOM 377 CB GLU A 28 -5.311 -8.829 3.108 1.00 0.00 C ATOM 378 CG GLU A 28 -6.330 -9.931 2.864 1.00 0.00 C ATOM 379 CD GLU A 28 -5.663 -11.243 2.512 1.00 0.00 C ATOM 380 OE1 GLU A 28 -5.162 -11.372 1.373 1.00 0.00 O ATOM 381 OE2 GLU A 28 -5.610 -12.144 3.370 1.00 0.00 O ATOM 0 H GLU A 28 -4.244 -6.601 3.382 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.813 -7.661 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.135 -8.294 2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.363 -9.279 3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.944 -10.063 3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.000 -9.635 2.056 1.00 0.00 H new ATOM 388 N SER A 29 -4.398 -7.956 6.206 1.00 0.00 N ATOM 389 CA SER A 29 -4.103 -8.367 7.572 1.00 0.00 C ATOM 390 C SER A 29 -5.151 -7.795 8.522 1.00 0.00 C ATOM 391 O SER A 29 -5.387 -8.331 9.603 1.00 0.00 O ATOM 392 CB SER A 29 -2.701 -7.915 7.982 1.00 0.00 C ATOM 393 OG SER A 29 -1.716 -8.494 7.142 1.00 0.00 O ATOM 0 H SER A 29 -3.720 -7.312 5.800 1.00 0.00 H new ATOM 0 HA SER A 29 -4.134 -9.455 7.626 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.635 -6.828 7.930 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.512 -8.197 9.018 1.00 0.00 H new ATOM 0 HG SER A 29 -1.921 -8.286 6.206 1.00 0.00 H new ATOM 399 N LYS A 30 -5.874 -6.793 8.039 1.00 0.00 N ATOM 400 CA LYS A 30 -7.013 -6.249 8.758 1.00 0.00 C ATOM 401 C LYS A 30 -8.302 -6.788 8.151 1.00 0.00 C ATOM 402 O LYS A 30 -9.196 -7.255 8.858 1.00 0.00 O ATOM 403 CB LYS A 30 -7.004 -4.719 8.696 1.00 0.00 C ATOM 404 CG LYS A 30 -5.670 -4.099 9.084 1.00 0.00 C ATOM 405 CD LYS A 30 -5.603 -3.795 10.572 1.00 0.00 C ATOM 406 CE LYS A 30 -4.845 -4.876 11.328 1.00 0.00 C ATOM 407 NZ LYS A 30 -5.600 -5.358 12.515 1.00 0.00 N ATOM 0 H LYS A 30 -5.688 -6.339 7.145 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.950 -6.552 9.803 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.261 -4.404 7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.780 -4.333 9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.861 -4.778 8.814 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.517 -3.180 8.518 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.116 -2.832 10.726 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.613 -3.709 10.973 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.646 -5.714 10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.878 -4.486 11.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.049 -6.093 13.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.768 -4.564 13.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.512 -5.754 12.209 1.00 0.00 H new ATOM 421 N PHE A 31 -8.383 -6.719 6.828 1.00 0.00 N ATOM 422 CA PHE A 31 -9.551 -7.189 6.095 1.00 0.00 C ATOM 423 C PHE A 31 -9.232 -8.488 5.355 1.00 0.00 C ATOM 424 O PHE A 31 -8.842 -8.457 4.192 1.00 0.00 O ATOM 425 CB PHE A 31 -10.004 -6.119 5.090 1.00 0.00 C ATOM 426 CG PHE A 31 -10.861 -5.030 5.683 1.00 0.00 C ATOM 427 CD1 PHE A 31 -10.703 -4.633 7.002 1.00 0.00 C ATOM 428 CD2 PHE A 31 -11.827 -4.401 4.913 1.00 0.00 C ATOM 429 CE1 PHE A 31 -11.490 -3.633 7.541 1.00 0.00 C ATOM 430 CE2 PHE A 31 -12.617 -3.402 5.447 1.00 0.00 C ATOM 431 CZ PHE A 31 -12.447 -3.016 6.762 1.00 0.00 C ATOM 0 H PHE A 31 -7.645 -6.338 6.236 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.354 -7.379 6.808 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -9.122 -5.665 4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.559 -6.604 4.287 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.955 -5.112 7.616 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -11.963 -4.696 3.883 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.356 -3.335 8.570 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -13.368 -2.923 4.836 1.00 0.00 H new ATOM 0 HZ PHE A 31 -13.062 -2.233 7.180 1.00 0.00 H new ATOM 441 N TYR A 32 -9.343 -9.620 6.049 1.00 0.00 N ATOM 442 CA TYR A 32 -9.001 -10.922 5.470 1.00 0.00 C ATOM 443 C TYR A 32 -9.987 -11.322 4.371 1.00 0.00 C ATOM 444 O TYR A 32 -9.848 -10.913 3.218 1.00 0.00 O ATOM 445 CB TYR A 32 -8.987 -11.997 6.556 1.00 0.00 C ATOM 446 CG TYR A 32 -7.679 -12.745 6.670 1.00 0.00 C ATOM 447 CD1 TYR A 32 -7.397 -13.822 5.839 1.00 0.00 C ATOM 448 CD2 TYR A 32 -6.729 -12.378 7.614 1.00 0.00 C ATOM 449 CE1 TYR A 32 -6.207 -14.513 5.948 1.00 0.00 C ATOM 450 CE2 TYR A 32 -5.538 -13.066 7.731 1.00 0.00 C ATOM 451 CZ TYR A 32 -5.281 -14.131 6.893 1.00 0.00 C ATOM 452 OH TYR A 32 -4.096 -14.824 7.014 1.00 0.00 O ATOM 0 H TYR A 32 -9.668 -9.663 7.015 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.009 -10.835 5.028 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.211 -11.531 7.516 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.785 -12.712 6.355 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.120 -14.123 5.096 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.925 -11.541 8.267 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.003 -15.349 5.295 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.812 -12.772 8.474 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.555 -14.425 7.727 1.00 0.00 H new ATOM 462 N ASP A 33 -11.048 -12.033 4.757 1.00 0.00 N ATOM 463 CA ASP A 33 -12.115 -12.378 3.822 1.00 0.00 C ATOM 464 C ASP A 33 -13.043 -11.196 3.657 1.00 0.00 C ATOM 465 O ASP A 33 -13.985 -11.202 2.867 1.00 0.00 O ATOM 466 CB ASP A 33 -12.879 -13.635 4.277 1.00 0.00 C ATOM 467 CG ASP A 33 -14.203 -13.331 4.963 1.00 0.00 C ATOM 468 OD1 ASP A 33 -14.192 -12.982 6.164 1.00 0.00 O ATOM 469 OD2 ASP A 33 -15.262 -13.455 4.311 1.00 0.00 O ATOM 0 H ASP A 33 -11.189 -12.379 5.706 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.671 -12.614 2.855 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.066 -14.269 3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.249 -14.205 4.959 1.00 0.00 H new ATOM 474 N ALA A 34 -12.618 -10.127 4.270 1.00 0.00 N ATOM 475 CA ALA A 34 -13.226 -8.826 4.094 1.00 0.00 C ATOM 476 C ALA A 34 -12.809 -8.234 2.757 1.00 0.00 C ATOM 477 O ALA A 34 -13.592 -7.555 2.094 1.00 0.00 O ATOM 478 CB ALA A 34 -12.804 -7.923 5.231 1.00 0.00 C ATOM 0 H ALA A 34 -11.829 -10.129 4.916 1.00 0.00 H new ATOM 0 HA ALA A 34 -14.312 -8.923 4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.259 -6.941 5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.129 -8.354 6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.719 -7.822 5.232 1.00 0.00 H new ATOM 484 N SER A 35 -11.594 -8.569 2.334 1.00 0.00 N ATOM 485 CA SER A 35 -11.097 -8.151 1.034 1.00 0.00 C ATOM 486 C SER A 35 -11.704 -9.016 -0.063 1.00 0.00 C ATOM 487 O SER A 35 -11.708 -8.640 -1.231 1.00 0.00 O ATOM 488 CB SER A 35 -9.572 -8.245 0.988 1.00 0.00 C ATOM 489 OG SER A 35 -8.972 -7.285 1.839 1.00 0.00 O ATOM 0 H SER A 35 -10.937 -9.130 2.876 1.00 0.00 H new ATOM 0 HA SER A 35 -11.388 -7.113 0.871 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.258 -9.245 1.286 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.227 -8.094 -0.035 1.00 0.00 H new ATOM 0 HG SER A 35 -9.200 -7.486 2.771 1.00 0.00 H new ATOM 495 N SER A 36 -12.233 -10.169 0.333 1.00 0.00 N ATOM 496 CA SER A 36 -12.867 -11.090 -0.596 1.00 0.00 C ATOM 497 C SER A 36 -14.161 -10.489 -1.141 1.00 0.00 C ATOM 498 O SER A 36 -15.196 -10.489 -0.472 1.00 0.00 O ATOM 499 CB SER A 36 -13.141 -12.425 0.099 1.00 0.00 C ATOM 500 OG SER A 36 -12.109 -13.355 -0.167 1.00 0.00 O ATOM 0 H SER A 36 -12.233 -10.488 1.302 1.00 0.00 H new ATOM 0 HA SER A 36 -12.194 -11.266 -1.435 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.227 -12.269 1.174 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.095 -12.827 -0.241 1.00 0.00 H new ATOM 0 HG SER A 36 -12.297 -14.195 0.301 1.00 0.00 H new ATOM 506 N TYR A 37 -14.050 -9.872 -2.307 1.00 0.00 N ATOM 507 CA TYR A 37 -15.153 -9.135 -2.908 1.00 0.00 C ATOM 508 C TYR A 37 -15.460 -9.679 -4.301 1.00 0.00 C ATOM 509 O TYR A 37 -16.507 -10.292 -4.522 1.00 0.00 O ATOM 510 CB TYR A 37 -14.778 -7.650 -2.985 1.00 0.00 C ATOM 511 CG TYR A 37 -15.929 -6.702 -3.260 1.00 0.00 C ATOM 512 CD1 TYR A 37 -16.674 -6.161 -2.218 1.00 0.00 C ATOM 513 CD2 TYR A 37 -16.250 -6.322 -4.558 1.00 0.00 C ATOM 514 CE1 TYR A 37 -17.708 -5.276 -2.463 1.00 0.00 C ATOM 515 CE2 TYR A 37 -17.277 -5.432 -4.810 1.00 0.00 C ATOM 516 CZ TYR A 37 -18.004 -4.914 -3.761 1.00 0.00 C ATOM 517 OH TYR A 37 -19.016 -4.014 -4.010 1.00 0.00 O ATOM 0 H TYR A 37 -13.195 -9.867 -2.863 1.00 0.00 H new ATOM 0 HA TYR A 37 -16.046 -9.253 -2.295 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.309 -7.362 -2.044 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.029 -7.522 -3.767 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.441 -6.437 -1.200 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.687 -6.730 -5.384 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.281 -4.870 -1.642 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.508 -5.144 -5.825 1.00 0.00 H new ATOM 0 HH TYR A 37 -18.630 -3.140 -4.229 1.00 0.00 H new ATOM 527 N ALA A 38 -14.533 -9.459 -5.229 1.00 0.00 N ATOM 528 CA ALA A 38 -14.672 -9.921 -6.605 1.00 0.00 C ATOM 529 C ALA A 38 -13.393 -9.625 -7.378 1.00 0.00 C ATOM 530 O ALA A 38 -12.376 -9.277 -6.781 1.00 0.00 O ATOM 531 CB ALA A 38 -15.858 -9.245 -7.282 1.00 0.00 C ATOM 0 H ALA A 38 -13.665 -8.955 -5.047 1.00 0.00 H new ATOM 0 HA ALA A 38 -14.848 -10.997 -6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.944 -9.603 -8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.772 -9.482 -6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.708 -8.165 -7.286 1.00 0.00 H new ATOM 537 N GLY A 39 -13.489 -9.603 -8.699 1.00 0.00 N ATOM 538 CA GLY A 39 -12.371 -9.168 -9.513 1.00 0.00 C ATOM 539 C GLY A 39 -12.483 -7.694 -9.842 1.00 0.00 C ATOM 540 O GLY A 39 -12.510 -7.305 -11.009 1.00 0.00 O ATOM 0 H GLY A 39 -14.320 -9.878 -9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.436 -9.357 -8.985 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.339 -9.749 -10.435 1.00 0.00 H new ATOM 544 N LYS A 40 -12.673 -6.890 -8.805 1.00 0.00 N ATOM 545 CA LYS A 40 -12.926 -5.469 -8.974 1.00 0.00 C ATOM 546 C LYS A 40 -11.643 -4.655 -8.886 1.00 0.00 C ATOM 547 O LYS A 40 -10.606 -5.147 -8.447 1.00 0.00 O ATOM 548 CB LYS A 40 -13.922 -4.984 -7.917 1.00 0.00 C ATOM 549 CG LYS A 40 -15.277 -5.669 -7.993 1.00 0.00 C ATOM 550 CD LYS A 40 -16.219 -4.941 -8.936 1.00 0.00 C ATOM 551 CE LYS A 40 -16.512 -5.772 -10.174 1.00 0.00 C ATOM 552 NZ LYS A 40 -16.037 -5.103 -11.413 1.00 0.00 N ATOM 0 H LYS A 40 -12.656 -7.201 -7.834 1.00 0.00 H new ATOM 0 HA LYS A 40 -13.348 -5.324 -9.969 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.497 -5.149 -6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -14.062 -3.909 -8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -15.147 -6.697 -8.330 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -15.720 -5.713 -6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -17.151 -4.714 -8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.778 -3.989 -9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.032 -6.746 -10.080 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -17.585 -5.951 -10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.255 -5.701 -12.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.514 -4.185 -11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.009 -4.955 -11.355 1.00 0.00 H new ATOM 566 N THR A 41 -11.740 -3.408 -9.302 1.00 0.00 N ATOM 567 CA THR A 41 -10.621 -2.487 -9.286 1.00 0.00 C ATOM 568 C THR A 41 -10.936 -1.305 -8.372 1.00 0.00 C ATOM 569 O THR A 41 -12.108 -0.958 -8.188 1.00 0.00 O ATOM 570 CB THR A 41 -10.334 -1.978 -10.710 1.00 0.00 C ATOM 571 OG1 THR A 41 -11.404 -2.367 -11.589 1.00 0.00 O ATOM 572 CG2 THR A 41 -9.018 -2.533 -11.231 1.00 0.00 C ATOM 0 H THR A 41 -12.603 -3.002 -9.663 1.00 0.00 H new ATOM 0 HA THR A 41 -9.741 -3.009 -8.911 1.00 0.00 H new ATOM 0 HB THR A 41 -10.261 -0.891 -10.678 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.219 -2.040 -12.494 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.839 -2.158 -12.239 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.205 -2.217 -10.577 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.065 -3.622 -11.252 1.00 0.00 H new ATOM 580 N CYS A 42 -9.908 -0.697 -7.795 1.00 0.00 N ATOM 581 CA CYS A 42 -10.101 0.436 -6.898 1.00 0.00 C ATOM 582 C CYS A 42 -8.796 1.197 -6.693 1.00 0.00 C ATOM 583 O CYS A 42 -8.023 0.902 -5.781 1.00 0.00 O ATOM 584 CB CYS A 42 -10.657 -0.033 -5.550 1.00 0.00 C ATOM 585 SG CYS A 42 -12.316 0.615 -5.166 1.00 0.00 S ATOM 0 H CYS A 42 -8.934 -0.968 -7.931 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.823 1.110 -7.359 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.693 -1.122 -5.543 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.969 0.268 -4.760 1.00 0.00 H new ATOM 590 N THR A 43 -8.557 2.185 -7.540 1.00 0.00 N ATOM 591 CA THR A 43 -7.354 2.995 -7.447 1.00 0.00 C ATOM 592 C THR A 43 -7.392 3.910 -6.228 1.00 0.00 C ATOM 593 O THR A 43 -8.205 4.832 -6.161 1.00 0.00 O ATOM 594 CB THR A 43 -7.177 3.858 -8.705 1.00 0.00 C ATOM 595 OG1 THR A 43 -8.021 3.374 -9.758 1.00 0.00 O ATOM 596 CG2 THR A 43 -5.732 3.853 -9.163 1.00 0.00 C ATOM 0 H THR A 43 -9.183 2.446 -8.302 1.00 0.00 H new ATOM 0 HA THR A 43 -6.514 2.307 -7.352 1.00 0.00 H new ATOM 0 HB THR A 43 -7.460 4.881 -8.458 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.902 3.932 -10.555 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.631 4.471 -10.055 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.098 4.252 -8.371 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.426 2.832 -9.392 1.00 0.00 H new ATOM 604 N LEU A 44 -6.464 3.705 -5.310 1.00 0.00 N ATOM 605 CA LEU A 44 -6.349 4.567 -4.150 1.00 0.00 C ATOM 606 C LEU A 44 -5.248 5.587 -4.374 1.00 0.00 C ATOM 607 O LEU A 44 -4.081 5.231 -4.526 1.00 0.00 O ATOM 608 CB LEU A 44 -6.060 3.749 -2.890 1.00 0.00 C ATOM 609 CG LEU A 44 -7.136 2.727 -2.519 1.00 0.00 C ATOM 610 CD1 LEU A 44 -6.656 1.839 -1.384 1.00 0.00 C ATOM 611 CD2 LEU A 44 -8.428 3.432 -2.131 1.00 0.00 C ATOM 0 H LEU A 44 -5.780 2.949 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.297 5.086 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.114 3.225 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.928 4.434 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.331 2.101 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.434 1.118 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.755 1.309 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.434 2.453 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.183 2.690 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.245 4.081 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.782 4.030 -2.970 1.00 0.00 H new ATOM 623 N ARG A 45 -5.619 6.853 -4.375 1.00 0.00 N ATOM 624 CA ARG A 45 -4.663 7.927 -4.549 1.00 0.00 C ATOM 625 C ARG A 45 -3.964 8.202 -3.229 1.00 0.00 C ATOM 626 O ARG A 45 -4.558 8.781 -2.323 1.00 0.00 O ATOM 627 CB ARG A 45 -5.374 9.184 -5.038 1.00 0.00 C ATOM 628 CG ARG A 45 -4.460 10.378 -5.211 1.00 0.00 C ATOM 629 CD ARG A 45 -5.211 11.553 -5.807 1.00 0.00 C ATOM 630 NE ARG A 45 -4.892 12.813 -5.138 1.00 0.00 N ATOM 631 CZ ARG A 45 -4.872 13.990 -5.759 1.00 0.00 C ATOM 632 NH1 ARG A 45 -5.140 14.058 -7.056 1.00 0.00 N ATOM 633 NH2 ARG A 45 -4.575 15.095 -5.091 1.00 0.00 N ATOM 0 H ARG A 45 -6.583 7.163 -4.256 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.922 7.633 -5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.858 8.968 -5.991 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.162 9.442 -4.331 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.039 10.662 -4.246 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.624 10.110 -5.857 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.970 11.636 -6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.283 11.369 -5.738 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.673 12.789 -4.142 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.361 13.209 -7.576 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.125 14.959 -7.533 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.360 15.047 -4.095 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.561 15.994 -5.573 1.00 0.00 H new ATOM 647 N ILE A 46 -2.748 7.697 -3.093 1.00 0.00 N ATOM 648 CA ILE A 46 -2.020 7.807 -1.841 1.00 0.00 C ATOM 649 C ILE A 46 -0.709 8.557 -2.020 1.00 0.00 C ATOM 650 O ILE A 46 0.067 8.284 -2.941 1.00 0.00 O ATOM 651 CB ILE A 46 -1.721 6.425 -1.209 1.00 0.00 C ATOM 652 CG1 ILE A 46 -2.136 5.286 -2.145 1.00 0.00 C ATOM 653 CG2 ILE A 46 -2.434 6.297 0.129 1.00 0.00 C ATOM 654 CD1 ILE A 46 -1.600 3.930 -1.736 1.00 0.00 C ATOM 0 H ILE A 46 -2.246 7.208 -3.834 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.671 8.366 -1.169 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.646 6.351 -1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.224 5.239 -2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.790 5.513 -3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.217 5.322 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.087 7.081 0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.509 6.397 -0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.937 3.176 -2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.510 3.958 -1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.966 3.679 -0.741 1.00 0.00 H new ATOM 666 N LYS A 47 -0.431 9.434 -1.072 1.00 0.00 N ATOM 667 CA LYS A 47 0.825 10.159 -1.022 1.00 0.00 C ATOM 668 C LYS A 47 1.406 10.027 0.377 1.00 0.00 C ATOM 669 O LYS A 47 0.808 10.500 1.345 1.00 0.00 O ATOM 670 CB LYS A 47 0.612 11.633 -1.364 1.00 0.00 C ATOM 671 CG LYS A 47 1.082 12.017 -2.757 1.00 0.00 C ATOM 672 CD LYS A 47 0.323 13.224 -3.285 1.00 0.00 C ATOM 673 CE LYS A 47 -0.468 12.889 -4.539 1.00 0.00 C ATOM 674 NZ LYS A 47 -1.097 11.543 -4.463 1.00 0.00 N ATOM 0 H LYS A 47 -1.072 9.664 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 47 1.515 9.740 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.448 11.867 -1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.139 12.245 -0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.149 12.238 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.945 11.174 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.355 13.592 -2.515 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.026 14.029 -3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.242 13.642 -4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.192 12.931 -5.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.898 11.496 -5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.396 10.818 -4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.437 11.373 -3.495 1.00 0.00 H new ATOM 688 N LEU A 48 2.483 9.269 0.499 1.00 0.00 N ATOM 689 CA LEU A 48 3.031 8.953 1.804 1.00 0.00 C ATOM 690 C LEU A 48 4.340 9.680 2.052 1.00 0.00 C ATOM 691 O LEU A 48 5.184 9.808 1.164 1.00 0.00 O ATOM 692 CB LEU A 48 3.246 7.446 1.942 1.00 0.00 C ATOM 693 CG LEU A 48 2.698 6.831 3.229 1.00 0.00 C ATOM 694 CD1 LEU A 48 1.338 6.202 2.981 1.00 0.00 C ATOM 695 CD2 LEU A 48 3.672 5.805 3.787 1.00 0.00 C ATOM 0 H LEU A 48 2.992 8.864 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 48 2.309 9.287 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.780 6.948 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.315 7.240 1.885 1.00 0.00 H new ATOM 0 HG LEU A 48 2.578 7.624 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.963 5.769 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.643 6.965 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.431 5.420 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.265 5.378 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.825 5.013 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.625 6.288 4.004 1.00 0.00 H new ATOM 707 N ALA A 49 4.529 10.074 3.295 1.00 0.00 N ATOM 708 CA ALA A 49 5.764 10.701 3.729 1.00 0.00 C ATOM 709 C ALA A 49 6.635 9.673 4.446 1.00 0.00 C ATOM 710 O ALA A 49 6.130 8.633 4.871 1.00 0.00 O ATOM 711 CB ALA A 49 5.455 11.877 4.647 1.00 0.00 C ATOM 0 H ALA A 49 3.833 9.969 4.033 1.00 0.00 H new ATOM 0 HA ALA A 49 6.306 11.076 2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.387 12.342 4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.850 12.608 4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.906 11.523 5.520 1.00 0.00 H new ATOM 717 N PRO A 50 7.951 9.935 4.589 1.00 0.00 N ATOM 718 CA PRO A 50 8.887 9.012 5.260 1.00 0.00 C ATOM 719 C PRO A 50 8.472 8.692 6.697 1.00 0.00 C ATOM 720 O PRO A 50 8.956 7.733 7.299 1.00 0.00 O ATOM 721 CB PRO A 50 10.217 9.771 5.254 1.00 0.00 C ATOM 722 CG PRO A 50 10.091 10.767 4.155 1.00 0.00 C ATOM 723 CD PRO A 50 8.639 11.145 4.099 1.00 0.00 C ATOM 0 HA PRO A 50 8.926 8.049 4.752 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.396 10.261 6.211 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.055 9.096 5.080 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.714 11.641 4.348 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.420 10.344 3.206 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.425 12.011 4.726 1.00 0.00 H new ATOM 0 HD3 PRO A 50 8.329 11.401 3.086 1.00 0.00 H new ATOM 731 N ASP A 51 7.543 9.485 7.219 1.00 0.00 N ATOM 732 CA ASP A 51 7.008 9.286 8.561 1.00 0.00 C ATOM 733 C ASP A 51 6.000 8.137 8.587 1.00 0.00 C ATOM 734 O ASP A 51 5.590 7.678 9.650 1.00 0.00 O ATOM 735 CB ASP A 51 6.336 10.572 9.047 1.00 0.00 C ATOM 736 CG ASP A 51 6.088 10.570 10.539 1.00 0.00 C ATOM 737 OD1 ASP A 51 7.056 10.390 11.306 1.00 0.00 O ATOM 738 OD2 ASP A 51 4.924 10.752 10.956 1.00 0.00 O ATOM 0 H ASP A 51 7.140 10.282 6.726 1.00 0.00 H new ATOM 0 HA ASP A 51 7.835 9.031 9.223 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.962 11.425 8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.388 10.702 8.525 1.00 0.00 H new ATOM 743 N GLY A 52 5.594 7.687 7.407 1.00 0.00 N ATOM 744 CA GLY A 52 4.624 6.611 7.316 1.00 0.00 C ATOM 745 C GLY A 52 3.207 7.115 7.471 1.00 0.00 C ATOM 746 O GLY A 52 2.347 6.430 8.024 1.00 0.00 O ATOM 0 H GLY A 52 5.919 8.048 6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.728 6.109 6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.832 5.869 8.087 1.00 0.00 H new ATOM 750 N MET A 53 2.963 8.315 6.967 1.00 0.00 N ATOM 751 CA MET A 53 1.641 8.912 7.029 1.00 0.00 C ATOM 752 C MET A 53 1.128 9.204 5.624 1.00 0.00 C ATOM 753 O MET A 53 1.898 9.583 4.736 1.00 0.00 O ATOM 754 CB MET A 53 1.665 10.192 7.880 1.00 0.00 C ATOM 755 CG MET A 53 2.150 11.430 7.141 1.00 0.00 C ATOM 756 SD MET A 53 0.826 12.617 6.840 1.00 0.00 S ATOM 757 CE MET A 53 1.767 14.129 6.674 1.00 0.00 C ATOM 0 H MET A 53 3.667 8.895 6.510 1.00 0.00 H new ATOM 0 HA MET A 53 0.961 8.205 7.503 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.661 10.380 8.259 1.00 0.00 H new ATOM 0 HB3 MET A 53 2.306 10.026 8.746 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.939 11.910 7.721 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.590 11.132 6.189 1.00 0.00 H new ATOM 0 HE1 MET A 53 1.089 14.961 6.484 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.321 14.316 7.594 1.00 0.00 H new ATOM 0 HE3 MET A 53 2.466 14.033 5.843 1.00 0.00 H new ATOM 767 N LEU A 54 -0.170 9.041 5.438 1.00 0.00 N ATOM 768 CA LEU A 54 -0.802 9.305 4.156 1.00 0.00 C ATOM 769 C LEU A 54 -1.471 10.670 4.183 1.00 0.00 C ATOM 770 O LEU A 54 -2.578 10.822 4.703 1.00 0.00 O ATOM 771 CB LEU A 54 -1.832 8.221 3.821 1.00 0.00 C ATOM 772 CG LEU A 54 -2.253 7.329 4.992 1.00 0.00 C ATOM 773 CD1 LEU A 54 -3.735 7.493 5.286 1.00 0.00 C ATOM 774 CD2 LEU A 54 -1.932 5.872 4.695 1.00 0.00 C ATOM 0 H LEU A 54 -0.812 8.724 6.165 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.033 9.295 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.722 8.702 3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.425 7.588 3.033 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.690 7.636 5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.014 6.851 6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.942 8.532 5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.314 7.214 4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.238 5.253 5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.468 5.557 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.860 5.761 4.534 1.00 0.00 H new ATOM 786 N LEU A 55 -0.774 11.667 3.663 1.00 0.00 N ATOM 787 CA LEU A 55 -1.276 13.039 3.663 1.00 0.00 C ATOM 788 C LEU A 55 -2.403 13.193 2.650 1.00 0.00 C ATOM 789 O LEU A 55 -3.337 13.971 2.850 1.00 0.00 O ATOM 790 CB LEU A 55 -0.148 14.025 3.349 1.00 0.00 C ATOM 791 CG LEU A 55 0.732 13.657 2.152 1.00 0.00 C ATOM 792 CD1 LEU A 55 0.688 14.754 1.098 1.00 0.00 C ATOM 793 CD2 LEU A 55 2.164 13.403 2.601 1.00 0.00 C ATOM 0 H LEU A 55 0.144 11.555 3.233 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.665 13.260 4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.586 15.006 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.487 14.117 4.230 1.00 0.00 H new ATOM 0 HG LEU A 55 0.343 12.740 1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.320 14.474 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.338 14.887 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.050 15.687 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.775 13.143 1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.563 14.302 3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.180 12.582 3.318 1.00 0.00 H new ATOM 805 N ASP A 56 -2.335 12.396 1.596 1.00 0.00 N ATOM 806 CA ASP A 56 -3.369 12.373 0.575 1.00 0.00 C ATOM 807 C ASP A 56 -3.808 10.935 0.335 1.00 0.00 C ATOM 808 O ASP A 56 -2.970 10.047 0.163 1.00 0.00 O ATOM 809 CB ASP A 56 -2.846 13.020 -0.716 1.00 0.00 C ATOM 810 CG ASP A 56 -3.539 12.526 -1.976 1.00 0.00 C ATOM 811 OD1 ASP A 56 -4.623 13.049 -2.308 1.00 0.00 O ATOM 812 OD2 ASP A 56 -2.975 11.656 -2.668 1.00 0.00 O ATOM 0 H ASP A 56 -1.565 11.750 1.425 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.233 12.947 0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.969 14.101 -0.645 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.777 12.826 -0.801 1.00 0.00 H new ATOM 817 N ILE A 57 -5.110 10.701 0.420 1.00 0.00 N ATOM 818 CA ILE A 57 -5.659 9.359 0.300 1.00 0.00 C ATOM 819 C ILE A 57 -7.135 9.422 -0.079 1.00 0.00 C ATOM 820 O ILE A 57 -7.978 9.858 0.712 1.00 0.00 O ATOM 821 CB ILE A 57 -5.473 8.537 1.604 1.00 0.00 C ATOM 822 CG1 ILE A 57 -6.312 7.254 1.561 1.00 0.00 C ATOM 823 CG2 ILE A 57 -5.829 9.368 2.832 1.00 0.00 C ATOM 824 CD1 ILE A 57 -5.625 6.057 2.179 1.00 0.00 C ATOM 0 H ILE A 57 -5.809 11.428 0.573 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.107 8.850 -0.490 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.422 8.259 1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.254 7.429 2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.557 7.026 0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.690 8.767 3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.183 10.245 2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.869 9.687 2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.279 5.187 2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.696 5.855 1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.404 6.265 3.226 1.00 0.00 H new ATOM 836 N LYS A 58 -7.437 9.047 -1.313 1.00 0.00 N ATOM 837 CA LYS A 58 -8.802 9.117 -1.825 1.00 0.00 C ATOM 838 C LYS A 58 -8.991 8.166 -3.005 1.00 0.00 C ATOM 839 O LYS A 58 -8.043 7.881 -3.737 1.00 0.00 O ATOM 840 CB LYS A 58 -9.138 10.550 -2.255 1.00 0.00 C ATOM 841 CG LYS A 58 -8.081 11.187 -3.145 1.00 0.00 C ATOM 842 CD LYS A 58 -8.470 12.596 -3.556 1.00 0.00 C ATOM 843 CE LYS A 58 -7.664 13.635 -2.797 1.00 0.00 C ATOM 844 NZ LYS A 58 -8.188 15.005 -3.009 1.00 0.00 N ATOM 0 H LYS A 58 -6.755 8.690 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.477 8.816 -1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.091 10.547 -2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.269 11.165 -1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.127 11.212 -2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.937 10.575 -4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.312 12.721 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.533 12.751 -3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.681 13.401 -1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.623 13.591 -3.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.610 15.684 -2.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.149 15.239 -4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.173 15.054 -2.680 1.00 0.00 H new ATOM 858 N PRO A 59 -10.219 7.665 -3.213 1.00 0.00 N ATOM 859 CA PRO A 59 -10.531 6.758 -4.317 1.00 0.00 C ATOM 860 C PRO A 59 -10.545 7.480 -5.663 1.00 0.00 C ATOM 861 O PRO A 59 -11.346 8.390 -5.880 1.00 0.00 O ATOM 862 CB PRO A 59 -11.939 6.234 -3.988 1.00 0.00 C ATOM 863 CG PRO A 59 -12.244 6.718 -2.608 1.00 0.00 C ATOM 864 CD PRO A 59 -11.408 7.946 -2.398 1.00 0.00 C ATOM 0 HA PRO A 59 -9.785 5.969 -4.409 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.672 6.607 -4.704 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.972 5.146 -4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.304 6.947 -2.502 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.007 5.955 -1.867 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.922 8.848 -2.729 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.155 8.090 -1.348 1.00 0.00 H new ATOM 872 N GLU A 60 -9.681 7.051 -6.572 1.00 0.00 N ATOM 873 CA GLU A 60 -9.625 7.631 -7.906 1.00 0.00 C ATOM 874 C GLU A 60 -10.698 7.002 -8.787 1.00 0.00 C ATOM 875 O GLU A 60 -11.664 7.657 -9.180 1.00 0.00 O ATOM 876 CB GLU A 60 -8.241 7.417 -8.528 1.00 0.00 C ATOM 877 CG GLU A 60 -7.154 8.285 -7.916 1.00 0.00 C ATOM 878 CD GLU A 60 -5.892 8.326 -8.754 1.00 0.00 C ATOM 879 OE1 GLU A 60 -5.742 7.471 -9.656 1.00 0.00 O ATOM 880 OE2 GLU A 60 -5.047 9.213 -8.524 1.00 0.00 O ATOM 0 H GLU A 60 -9.008 6.302 -6.409 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.806 8.703 -7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.961 6.369 -8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.298 7.621 -9.597 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.534 9.299 -7.790 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.912 7.909 -6.922 1.00 0.00 H new ATOM 887 N GLY A 61 -10.551 5.710 -9.038 1.00 0.00 N ATOM 888 CA GLY A 61 -11.542 4.988 -9.807 1.00 0.00 C ATOM 889 C GLY A 61 -11.720 3.581 -9.292 1.00 0.00 C ATOM 890 O GLY A 61 -10.750 2.831 -9.182 1.00 0.00 O ATOM 0 H GLY A 61 -9.761 5.148 -8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.494 5.516 -9.763 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.242 4.959 -10.854 1.00 0.00 H new ATOM 894 N GLY A 62 -12.943 3.228 -8.937 1.00 0.00 N ATOM 895 CA GLY A 62 -13.196 1.912 -8.399 1.00 0.00 C ATOM 896 C GLY A 62 -14.617 1.741 -7.914 1.00 0.00 C ATOM 897 O GLY A 62 -15.429 2.663 -8.007 1.00 0.00 O ATOM 0 H GLY A 62 -13.764 3.829 -9.012 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -12.986 1.165 -9.164 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -12.510 1.724 -7.573 1.00 0.00 H new ATOM 901 N ASP A 63 -14.908 0.569 -7.370 1.00 0.00 N ATOM 902 CA ASP A 63 -16.228 0.274 -6.834 1.00 0.00 C ATOM 903 C ASP A 63 -16.471 1.071 -5.557 1.00 0.00 C ATOM 904 O ASP A 63 -15.613 1.112 -4.675 1.00 0.00 O ATOM 905 CB ASP A 63 -16.366 -1.223 -6.552 1.00 0.00 C ATOM 906 CG ASP A 63 -17.675 -1.566 -5.867 1.00 0.00 C ATOM 907 OD1 ASP A 63 -18.721 -1.581 -6.545 1.00 0.00 O ATOM 908 OD2 ASP A 63 -17.663 -1.832 -4.648 1.00 0.00 O ATOM 0 H ASP A 63 -14.242 -0.199 -7.288 1.00 0.00 H new ATOM 0 HA ASP A 63 -16.974 0.561 -7.575 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.295 -1.774 -7.490 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -15.535 -1.550 -5.926 1.00 0.00 H new ATOM 913 N PRO A 64 -17.615 1.768 -5.474 1.00 0.00 N ATOM 914 CA PRO A 64 -17.942 2.630 -4.335 1.00 0.00 C ATOM 915 C PRO A 64 -17.836 1.903 -2.999 1.00 0.00 C ATOM 916 O PRO A 64 -17.221 2.404 -2.060 1.00 0.00 O ATOM 917 CB PRO A 64 -19.387 3.041 -4.605 1.00 0.00 C ATOM 918 CG PRO A 64 -19.531 2.962 -6.084 1.00 0.00 C ATOM 919 CD PRO A 64 -18.654 1.824 -6.523 1.00 0.00 C ATOM 0 HA PRO A 64 -17.252 3.470 -4.253 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -20.089 2.375 -4.103 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -19.587 4.049 -4.241 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -20.569 2.787 -6.367 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -19.225 3.895 -6.557 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -19.211 0.889 -6.587 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -18.222 2.006 -7.507 1.00 0.00 H new ATOM 927 N ALA A 65 -18.425 0.716 -2.926 1.00 0.00 N ATOM 928 CA ALA A 65 -18.385 -0.081 -1.708 1.00 0.00 C ATOM 929 C ALA A 65 -16.964 -0.544 -1.398 1.00 0.00 C ATOM 930 O ALA A 65 -16.503 -0.444 -0.257 1.00 0.00 O ATOM 931 CB ALA A 65 -19.320 -1.275 -1.826 1.00 0.00 C ATOM 0 H ALA A 65 -18.936 0.285 -3.696 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.720 0.547 -0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.279 -1.861 -0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -20.339 -0.924 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -19.012 -1.896 -2.667 1.00 0.00 H new ATOM 937 N LEU A 66 -16.284 -1.060 -2.414 1.00 0.00 N ATOM 938 CA LEU A 66 -14.922 -1.560 -2.262 1.00 0.00 C ATOM 939 C LEU A 66 -13.986 -0.463 -1.763 1.00 0.00 C ATOM 940 O LEU A 66 -13.289 -0.637 -0.764 1.00 0.00 O ATOM 941 CB LEU A 66 -14.407 -2.107 -3.595 1.00 0.00 C ATOM 942 CG LEU A 66 -13.081 -2.866 -3.522 1.00 0.00 C ATOM 943 CD1 LEU A 66 -13.198 -4.066 -2.593 1.00 0.00 C ATOM 944 CD2 LEU A 66 -12.650 -3.309 -4.912 1.00 0.00 C ATOM 0 H LEU A 66 -16.657 -1.144 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 66 -14.941 -2.362 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.164 -2.771 -4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.293 -1.275 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.322 -2.196 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.244 -4.592 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.465 -3.727 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.969 -4.740 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.705 -3.848 -4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.411 -3.963 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.525 -2.434 -5.550 1.00 0.00 H new ATOM 956 N CYS A 67 -13.948 0.648 -2.486 1.00 0.00 N ATOM 957 CA CYS A 67 -13.063 1.754 -2.147 1.00 0.00 C ATOM 958 C CYS A 67 -13.422 2.346 -0.788 1.00 0.00 C ATOM 959 O CYS A 67 -12.548 2.796 -0.051 1.00 0.00 O ATOM 960 CB CYS A 67 -13.117 2.835 -3.231 1.00 0.00 C ATOM 961 SG CYS A 67 -11.982 2.549 -4.633 1.00 0.00 S ATOM 0 H CYS A 67 -14.522 0.807 -3.314 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.046 1.367 -2.090 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -14.136 2.901 -3.611 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -12.882 3.799 -2.779 1.00 0.00 H new ATOM 966 N GLN A 68 -14.705 2.304 -0.443 1.00 0.00 N ATOM 967 CA GLN A 68 -15.174 2.797 0.847 1.00 0.00 C ATOM 968 C GLN A 68 -14.581 1.970 1.986 1.00 0.00 C ATOM 969 O GLN A 68 -14.046 2.518 2.950 1.00 0.00 O ATOM 970 CB GLN A 68 -16.703 2.753 0.896 1.00 0.00 C ATOM 971 CG GLN A 68 -17.295 3.064 2.259 1.00 0.00 C ATOM 972 CD GLN A 68 -18.787 2.806 2.303 1.00 0.00 C ATOM 973 OE1 GLN A 68 -19.589 3.735 2.403 1.00 0.00 O ATOM 974 NE2 GLN A 68 -19.170 1.544 2.220 1.00 0.00 N ATOM 0 H GLN A 68 -15.442 1.932 -1.042 1.00 0.00 H new ATOM 0 HA GLN A 68 -14.845 3.829 0.968 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -17.098 3.464 0.171 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -17.036 1.763 0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.800 2.456 3.016 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.100 4.107 2.509 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -18.473 0.804 2.138 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -20.163 1.310 2.238 1.00 0.00 H new ATOM 983 N ALA A 69 -14.625 0.652 1.835 1.00 0.00 N ATOM 984 CA ALA A 69 -14.040 -0.248 2.821 1.00 0.00 C ATOM 985 C ALA A 69 -12.519 -0.143 2.805 1.00 0.00 C ATOM 986 O ALA A 69 -11.864 -0.252 3.842 1.00 0.00 O ATOM 987 CB ALA A 69 -14.478 -1.681 2.554 1.00 0.00 C ATOM 0 H ALA A 69 -15.059 0.183 1.040 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.394 0.045 3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.033 -2.342 3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.564 -1.746 2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.150 -1.982 1.559 1.00 0.00 H new ATOM 993 N ALA A 70 -11.970 0.087 1.618 1.00 0.00 N ATOM 994 CA ALA A 70 -10.531 0.227 1.450 1.00 0.00 C ATOM 995 C ALA A 70 -9.993 1.401 2.258 1.00 0.00 C ATOM 996 O ALA A 70 -8.903 1.323 2.817 1.00 0.00 O ATOM 997 CB ALA A 70 -10.186 0.396 -0.021 1.00 0.00 C ATOM 0 H ALA A 70 -12.504 0.181 0.754 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.058 -0.682 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.107 0.500 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.526 -0.478 -0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.678 1.287 -0.410 1.00 0.00 H new ATOM 1003 N LEU A 71 -10.775 2.476 2.340 1.00 0.00 N ATOM 1004 CA LEU A 71 -10.380 3.652 3.111 1.00 0.00 C ATOM 1005 C LEU A 71 -10.170 3.286 4.576 1.00 0.00 C ATOM 1006 O LEU A 71 -9.185 3.687 5.197 1.00 0.00 O ATOM 1007 CB LEU A 71 -11.442 4.753 3.011 1.00 0.00 C ATOM 1008 CG LEU A 71 -11.833 5.167 1.593 1.00 0.00 C ATOM 1009 CD1 LEU A 71 -13.008 6.131 1.623 1.00 0.00 C ATOM 1010 CD2 LEU A 71 -10.652 5.789 0.869 1.00 0.00 C ATOM 0 H LEU A 71 -11.683 2.556 1.883 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.444 4.023 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.338 4.417 3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.077 5.634 3.540 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.135 4.273 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.272 6.415 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.862 5.649 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.733 7.022 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.953 6.076 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.316 6.672 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.838 5.066 0.812 1.00 0.00 H new ATOM 1022 N ALA A 72 -11.098 2.504 5.113 1.00 0.00 N ATOM 1023 CA ALA A 72 -11.021 2.060 6.496 1.00 0.00 C ATOM 1024 C ALA A 72 -9.856 1.098 6.692 1.00 0.00 C ATOM 1025 O ALA A 72 -9.103 1.204 7.662 1.00 0.00 O ATOM 1026 CB ALA A 72 -12.330 1.403 6.908 1.00 0.00 C ATOM 0 H ALA A 72 -11.916 2.164 4.608 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.850 2.931 7.129 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.262 1.074 7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.145 2.120 6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.523 0.543 6.267 1.00 0.00 H new ATOM 1032 N ALA A 73 -9.728 0.144 5.779 1.00 0.00 N ATOM 1033 CA ALA A 73 -8.677 -0.864 5.861 1.00 0.00 C ATOM 1034 C ALA A 73 -7.288 -0.244 5.738 1.00 0.00 C ATOM 1035 O ALA A 73 -6.389 -0.586 6.500 1.00 0.00 O ATOM 1036 CB ALA A 73 -8.879 -1.925 4.793 1.00 0.00 C ATOM 0 H ALA A 73 -10.341 0.046 4.970 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.743 -1.331 6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.087 -2.671 4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.846 -2.407 4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.849 -1.460 3.808 1.00 0.00 H new ATOM 1042 N ALA A 74 -7.116 0.656 4.775 1.00 0.00 N ATOM 1043 CA ALA A 74 -5.827 1.306 4.553 1.00 0.00 C ATOM 1044 C ALA A 74 -5.439 2.180 5.742 1.00 0.00 C ATOM 1045 O ALA A 74 -4.272 2.254 6.116 1.00 0.00 O ATOM 1046 CB ALA A 74 -5.857 2.130 3.272 1.00 0.00 C ATOM 0 H ALA A 74 -7.853 0.953 4.135 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.072 0.527 4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.888 2.607 3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.075 1.479 2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.630 2.895 3.349 1.00 0.00 H new ATOM 1052 N LYS A 75 -6.435 2.804 6.360 1.00 0.00 N ATOM 1053 CA LYS A 75 -6.201 3.631 7.538 1.00 0.00 C ATOM 1054 C LYS A 75 -5.786 2.769 8.722 1.00 0.00 C ATOM 1055 O LYS A 75 -5.011 3.194 9.582 1.00 0.00 O ATOM 1056 CB LYS A 75 -7.463 4.416 7.891 1.00 0.00 C ATOM 1057 CG LYS A 75 -7.356 5.907 7.614 1.00 0.00 C ATOM 1058 CD LYS A 75 -8.640 6.466 7.016 1.00 0.00 C ATOM 1059 CE LYS A 75 -9.864 6.117 7.854 1.00 0.00 C ATOM 1060 NZ LYS A 75 -9.842 6.782 9.183 1.00 0.00 N ATOM 0 H LYS A 75 -7.410 2.753 6.066 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.396 4.330 7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.302 4.010 7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.689 4.267 8.947 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.128 6.433 8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.527 6.091 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.557 7.549 6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.769 6.075 6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.766 6.411 7.317 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.913 5.037 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.693 6.516 9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.995 6.482 9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.822 7.814 9.055 1.00 0.00 H new ATOM 1074 N LEU A 76 -6.320 1.560 8.764 1.00 0.00 N ATOM 1075 CA LEU A 76 -6.028 0.624 9.840 1.00 0.00 C ATOM 1076 C LEU A 76 -4.691 -0.071 9.607 1.00 0.00 C ATOM 1077 O LEU A 76 -4.001 -0.453 10.555 1.00 0.00 O ATOM 1078 CB LEU A 76 -7.142 -0.418 9.941 1.00 0.00 C ATOM 1079 CG LEU A 76 -8.013 -0.321 11.190 1.00 0.00 C ATOM 1080 CD1 LEU A 76 -8.938 0.881 11.103 1.00 0.00 C ATOM 1081 CD2 LEU A 76 -8.812 -1.599 11.373 1.00 0.00 C ATOM 0 H LEU A 76 -6.964 1.200 8.059 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.969 1.183 10.774 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.782 -0.328 9.063 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.693 -1.411 9.907 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.365 -0.190 12.057 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.551 0.934 12.002 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.345 1.791 11.014 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.583 0.782 10.230 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.429 -1.517 12.268 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.451 -1.756 10.504 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.130 -2.443 11.479 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.360 -0.273 8.340 1.00 0.00 N ATOM 1094 CA ALA A 77 -3.140 -0.969 7.955 1.00 0.00 C ATOM 1095 C ALA A 77 -1.895 -0.181 8.347 1.00 0.00 C ATOM 1096 O ALA A 77 -1.773 1.010 8.048 1.00 0.00 O ATOM 1097 CB ALA A 77 -3.141 -1.239 6.461 1.00 0.00 C ATOM 0 H ALA A 77 -4.927 0.040 7.552 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.115 -1.917 8.492 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.224 -1.760 6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.001 -1.857 6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.199 -0.294 5.921 1.00 0.00 H new ATOM 1103 N LYS A 78 -0.964 -0.857 9.001 1.00 0.00 N ATOM 1104 CA LYS A 78 0.281 -0.236 9.415 1.00 0.00 C ATOM 1105 C LYS A 78 1.325 -0.347 8.312 1.00 0.00 C ATOM 1106 O LYS A 78 2.138 -1.274 8.294 1.00 0.00 O ATOM 1107 CB LYS A 78 0.788 -0.871 10.711 1.00 0.00 C ATOM 1108 CG LYS A 78 1.354 0.138 11.701 1.00 0.00 C ATOM 1109 CD LYS A 78 0.264 1.036 12.269 1.00 0.00 C ATOM 1110 CE LYS A 78 0.826 2.371 12.739 1.00 0.00 C ATOM 1111 NZ LYS A 78 -0.090 3.063 13.685 1.00 0.00 N ATOM 0 H LYS A 78 -1.049 -1.841 9.257 1.00 0.00 H new ATOM 0 HA LYS A 78 0.097 0.822 9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.030 -1.413 11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.559 -1.603 10.470 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.853 -0.389 12.514 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.109 0.749 11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.498 1.209 11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.225 0.533 13.103 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.789 2.208 13.222 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.006 3.012 11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.332 3.967 13.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.001 3.243 13.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.242 2.464 14.521 1.00 0.00 H new ATOM 1125 N ILE A 79 1.278 0.593 7.383 1.00 0.00 N ATOM 1126 CA ILE A 79 2.196 0.612 6.254 1.00 0.00 C ATOM 1127 C ILE A 79 3.607 0.980 6.714 1.00 0.00 C ATOM 1128 O ILE A 79 3.788 1.932 7.475 1.00 0.00 O ATOM 1129 CB ILE A 79 1.711 1.608 5.171 1.00 0.00 C ATOM 1130 CG1 ILE A 79 0.432 1.090 4.514 1.00 0.00 C ATOM 1131 CG2 ILE A 79 2.784 1.845 4.120 1.00 0.00 C ATOM 1132 CD1 ILE A 79 -0.733 2.050 4.622 1.00 0.00 C ATOM 0 H ILE A 79 0.607 1.361 7.389 1.00 0.00 H new ATOM 0 HA ILE A 79 2.220 -0.388 5.820 1.00 0.00 H new ATOM 0 HB ILE A 79 1.501 2.561 5.658 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.630 0.888 3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.155 0.141 4.974 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.414 2.548 3.374 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.675 2.256 4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.034 0.901 3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.607 1.618 4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.957 2.233 5.673 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.475 2.991 4.137 1.00 0.00 H new ATOM 1144 N PRO A 80 4.623 0.211 6.277 1.00 0.00 N ATOM 1145 CA PRO A 80 6.017 0.445 6.663 1.00 0.00 C ATOM 1146 C PRO A 80 6.519 1.811 6.201 1.00 0.00 C ATOM 1147 O PRO A 80 6.428 2.154 5.019 1.00 0.00 O ATOM 1148 CB PRO A 80 6.795 -0.675 5.963 1.00 0.00 C ATOM 1149 CG PRO A 80 5.886 -1.185 4.897 1.00 0.00 C ATOM 1150 CD PRO A 80 4.486 -0.958 5.393 1.00 0.00 C ATOM 0 HA PRO A 80 6.139 0.440 7.746 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.726 -0.300 5.538 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.060 -1.466 6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 80 6.056 -0.660 3.957 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.065 -2.243 4.707 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.796 -0.763 4.572 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.104 -1.826 5.931 1.00 0.00 H new ATOM 1158 N LYS A 81 7.025 2.590 7.143 1.00 0.00 N ATOM 1159 CA LYS A 81 7.517 3.918 6.866 1.00 0.00 C ATOM 1160 C LYS A 81 8.867 3.849 6.169 1.00 0.00 C ATOM 1161 O LYS A 81 9.749 3.100 6.591 1.00 0.00 O ATOM 1162 CB LYS A 81 7.647 4.700 8.170 1.00 0.00 C ATOM 1163 CG LYS A 81 7.489 3.851 9.420 1.00 0.00 C ATOM 1164 CD LYS A 81 6.184 4.147 10.136 1.00 0.00 C ATOM 1165 CE LYS A 81 6.087 3.383 11.447 1.00 0.00 C ATOM 1166 NZ LYS A 81 6.644 4.161 12.585 1.00 0.00 N ATOM 0 H LYS A 81 7.104 2.313 8.122 1.00 0.00 H new ATOM 0 HA LYS A 81 6.811 4.425 6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.623 5.186 8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.897 5.491 8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.525 2.795 9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.325 4.037 10.095 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.108 5.217 10.330 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.345 3.879 9.493 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.044 3.140 11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.622 2.438 11.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.559 3.605 13.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 7.646 4.371 12.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.117 5.052 12.688 1.00 0.00 H new ATOM 1180 N PRO A 82 9.032 4.611 5.079 1.00 0.00 N ATOM 1181 CA PRO A 82 10.269 4.623 4.295 1.00 0.00 C ATOM 1182 C PRO A 82 11.508 4.889 5.151 1.00 0.00 C ATOM 1183 O PRO A 82 11.665 5.969 5.726 1.00 0.00 O ATOM 1184 CB PRO A 82 10.046 5.764 3.300 1.00 0.00 C ATOM 1185 CG PRO A 82 8.567 5.862 3.161 1.00 0.00 C ATOM 1186 CD PRO A 82 8.003 5.498 4.505 1.00 0.00 C ATOM 0 HA PRO A 82 10.460 3.659 3.824 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.472 6.698 3.667 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.520 5.552 2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.268 6.869 2.871 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.202 5.186 2.388 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.841 6.380 5.125 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.042 4.992 4.414 1.00 0.00 H new ATOM 1194 N PRO A 83 12.411 3.903 5.231 1.00 0.00 N ATOM 1195 CA PRO A 83 13.648 4.021 5.992 1.00 0.00 C ATOM 1196 C PRO A 83 14.713 4.774 5.201 1.00 0.00 C ATOM 1197 O PRO A 83 14.996 5.942 5.474 1.00 0.00 O ATOM 1198 CB PRO A 83 14.078 2.566 6.230 1.00 0.00 C ATOM 1199 CG PRO A 83 13.147 1.699 5.431 1.00 0.00 C ATOM 1200 CD PRO A 83 12.306 2.602 4.569 1.00 0.00 C ATOM 0 HA PRO A 83 13.513 4.580 6.918 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.111 2.413 5.918 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.024 2.316 7.290 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.711 0.999 4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.516 1.105 6.092 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.679 2.641 3.546 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.272 2.260 4.518 1.00 0.00 H new ATOM 1208 N SER A 84 15.207 4.137 4.150 1.00 0.00 N ATOM 1209 CA SER A 84 16.135 4.773 3.233 1.00 0.00 C ATOM 1210 C SER A 84 15.400 5.833 2.413 1.00 0.00 C ATOM 1211 O SER A 84 14.195 5.709 2.173 1.00 0.00 O ATOM 1212 CB SER A 84 16.746 3.708 2.321 1.00 0.00 C ATOM 1213 OG SER A 84 16.013 2.496 2.412 1.00 0.00 O ATOM 0 H SER A 84 14.977 3.172 3.912 1.00 0.00 H new ATOM 0 HA SER A 84 16.935 5.262 3.789 1.00 0.00 H new ATOM 0 HB2 SER A 84 16.749 4.062 1.290 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.785 3.534 2.601 1.00 0.00 H new ATOM 0 HG SER A 84 16.568 1.753 2.094 1.00 0.00 H new ATOM 1219 N GLN A 85 16.088 6.914 2.066 1.00 0.00 N ATOM 1220 CA GLN A 85 15.452 8.033 1.370 1.00 0.00 C ATOM 1221 C GLN A 85 14.951 7.619 -0.011 1.00 0.00 C ATOM 1222 O GLN A 85 13.983 8.177 -0.524 1.00 0.00 O ATOM 1223 CB GLN A 85 16.415 9.212 1.246 1.00 0.00 C ATOM 1224 CG GLN A 85 15.763 10.552 1.551 1.00 0.00 C ATOM 1225 CD GLN A 85 16.720 11.547 2.175 1.00 0.00 C ATOM 1226 OE1 GLN A 85 16.969 12.621 1.621 1.00 0.00 O ATOM 1227 NE2 GLN A 85 17.258 11.206 3.336 1.00 0.00 N ATOM 0 H GLN A 85 17.082 7.042 2.253 1.00 0.00 H new ATOM 0 HA GLN A 85 14.592 8.341 1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 85 17.254 9.060 1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.823 9.235 0.235 1.00 0.00 H new ATOM 0 HG2 GLN A 85 15.360 10.972 0.629 1.00 0.00 H new ATOM 0 HG3 GLN A 85 14.920 10.395 2.224 1.00 0.00 H new ATOM 0 HE21 GLN A 85 17.026 10.308 3.761 1.00 0.00 H new ATOM 0 HE22 GLN A 85 17.904 11.841 3.805 1.00 0.00 H new ATOM 1236 N ALA A 86 15.591 6.608 -0.591 1.00 0.00 N ATOM 1237 CA ALA A 86 15.186 6.089 -1.895 1.00 0.00 C ATOM 1238 C ALA A 86 13.775 5.506 -1.841 1.00 0.00 C ATOM 1239 O ALA A 86 13.054 5.502 -2.839 1.00 0.00 O ATOM 1240 CB ALA A 86 16.176 5.037 -2.378 1.00 0.00 C ATOM 0 H ALA A 86 16.393 6.131 -0.179 1.00 0.00 H new ATOM 0 HA ALA A 86 15.182 6.919 -2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.860 4.660 -3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 86 17.167 5.483 -2.466 1.00 0.00 H new ATOM 0 HB3 ALA A 86 16.210 4.214 -1.664 1.00 0.00 H new ATOM 1246 N VAL A 87 13.379 5.038 -0.662 1.00 0.00 N ATOM 1247 CA VAL A 87 12.047 4.476 -0.465 1.00 0.00 C ATOM 1248 C VAL A 87 10.999 5.581 -0.355 1.00 0.00 C ATOM 1249 O VAL A 87 9.858 5.412 -0.785 1.00 0.00 O ATOM 1250 CB VAL A 87 11.988 3.590 0.797 1.00 0.00 C ATOM 1251 CG1 VAL A 87 10.690 2.801 0.844 1.00 0.00 C ATOM 1252 CG2 VAL A 87 13.183 2.649 0.849 1.00 0.00 C ATOM 0 H VAL A 87 13.963 5.037 0.174 1.00 0.00 H new ATOM 0 HA VAL A 87 11.830 3.859 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 87 12.024 4.243 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.672 2.184 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.846 3.490 0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 87 10.620 2.162 -0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 87 13.122 2.033 1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.180 2.008 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 87 14.104 3.231 0.870 1.00 0.00 H new ATOM 1262 N TYR A 88 11.400 6.723 0.199 1.00 0.00 N ATOM 1263 CA TYR A 88 10.502 7.865 0.342 1.00 0.00 C ATOM 1264 C TYR A 88 10.042 8.347 -1.026 1.00 0.00 C ATOM 1265 O TYR A 88 8.908 8.783 -1.195 1.00 0.00 O ATOM 1266 CB TYR A 88 11.191 8.997 1.128 1.00 0.00 C ATOM 1267 CG TYR A 88 11.234 10.348 0.436 1.00 0.00 C ATOM 1268 CD1 TYR A 88 10.160 11.226 0.519 1.00 0.00 C ATOM 1269 CD2 TYR A 88 12.350 10.746 -0.291 1.00 0.00 C ATOM 1270 CE1 TYR A 88 10.196 12.459 -0.101 1.00 0.00 C ATOM 1271 CE2 TYR A 88 12.393 11.979 -0.913 1.00 0.00 C ATOM 1272 CZ TYR A 88 11.313 12.830 -0.817 1.00 0.00 C ATOM 1273 OH TYR A 88 11.354 14.059 -1.436 1.00 0.00 O ATOM 0 H TYR A 88 12.342 6.882 0.556 1.00 0.00 H new ATOM 0 HA TYR A 88 9.622 7.553 0.905 1.00 0.00 H new ATOM 0 HB2 TYR A 88 10.679 9.115 2.083 1.00 0.00 H new ATOM 0 HB3 TYR A 88 12.213 8.690 1.350 1.00 0.00 H new ATOM 0 HD1 TYR A 88 9.282 10.939 1.078 1.00 0.00 H new ATOM 0 HD2 TYR A 88 13.197 10.081 -0.371 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.353 13.129 -0.025 1.00 0.00 H new ATOM 0 HE2 TYR A 88 13.269 12.275 -1.472 1.00 0.00 H new ATOM 0 HH TYR A 88 12.212 14.165 -1.897 1.00 0.00 H new ATOM 1283 N GLU A 89 10.935 8.264 -1.996 1.00 0.00 N ATOM 1284 CA GLU A 89 10.631 8.697 -3.346 1.00 0.00 C ATOM 1285 C GLU A 89 9.585 7.786 -3.997 1.00 0.00 C ATOM 1286 O GLU A 89 8.836 8.219 -4.873 1.00 0.00 O ATOM 1287 CB GLU A 89 11.925 8.757 -4.175 1.00 0.00 C ATOM 1288 CG GLU A 89 11.972 7.799 -5.355 1.00 0.00 C ATOM 1289 CD GLU A 89 11.676 8.485 -6.672 1.00 0.00 C ATOM 1290 OE1 GLU A 89 10.942 9.500 -6.672 1.00 0.00 O ATOM 1291 OE2 GLU A 89 12.169 8.007 -7.715 1.00 0.00 O ATOM 0 H GLU A 89 11.879 7.899 -1.872 1.00 0.00 H new ATOM 0 HA GLU A 89 10.200 9.697 -3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 89 12.056 9.774 -4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 89 12.770 8.545 -3.520 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.958 7.336 -5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.251 6.997 -5.197 1.00 0.00 H new ATOM 1298 N VAL A 90 9.532 6.534 -3.561 1.00 0.00 N ATOM 1299 CA VAL A 90 8.581 5.578 -4.108 1.00 0.00 C ATOM 1300 C VAL A 90 7.148 5.943 -3.725 1.00 0.00 C ATOM 1301 O VAL A 90 6.284 6.075 -4.589 1.00 0.00 O ATOM 1302 CB VAL A 90 8.887 4.140 -3.634 1.00 0.00 C ATOM 1303 CG1 VAL A 90 7.960 3.140 -4.307 1.00 0.00 C ATOM 1304 CG2 VAL A 90 10.339 3.781 -3.907 1.00 0.00 C ATOM 0 H VAL A 90 10.136 6.158 -2.831 1.00 0.00 H new ATOM 0 HA VAL A 90 8.681 5.619 -5.193 1.00 0.00 H new ATOM 0 HB VAL A 90 8.716 4.097 -2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.194 2.134 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.926 3.379 -4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.095 3.189 -5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 90 10.533 2.764 -3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.535 3.848 -4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 90 10.991 4.473 -3.374 1.00 0.00 H new ATOM 1314 N PHE A 91 6.885 6.043 -2.429 1.00 0.00 N ATOM 1315 CA PHE A 91 5.534 6.313 -1.951 1.00 0.00 C ATOM 1316 C PHE A 91 5.223 7.806 -1.922 1.00 0.00 C ATOM 1317 O PHE A 91 4.131 8.209 -1.512 1.00 0.00 O ATOM 1318 CB PHE A 91 5.329 5.708 -0.563 1.00 0.00 C ATOM 1319 CG PHE A 91 4.097 4.850 -0.459 1.00 0.00 C ATOM 1320 CD1 PHE A 91 3.168 4.816 -1.487 1.00 0.00 C ATOM 1321 CD2 PHE A 91 3.869 4.078 0.668 1.00 0.00 C ATOM 1322 CE1 PHE A 91 2.037 4.026 -1.392 1.00 0.00 C ATOM 1323 CE2 PHE A 91 2.740 3.288 0.768 1.00 0.00 C ATOM 1324 CZ PHE A 91 1.823 3.263 -0.263 1.00 0.00 C ATOM 0 H PHE A 91 7.584 5.942 -1.693 1.00 0.00 H new ATOM 0 HA PHE A 91 4.844 5.847 -2.654 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.202 5.109 -0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.265 6.512 0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.329 5.413 -2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.582 4.094 1.479 1.00 0.00 H new ATOM 0 HE1 PHE A 91 1.322 4.006 -2.201 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.575 2.690 1.652 1.00 0.00 H new ATOM 0 HZ PHE A 91 0.939 2.647 -0.186 1.00 0.00 H new ATOM 1334 N LYS A 92 6.165 8.620 -2.386 1.00 0.00 N ATOM 1335 CA LYS A 92 5.970 10.066 -2.440 1.00 0.00 C ATOM 1336 C LYS A 92 4.832 10.415 -3.399 1.00 0.00 C ATOM 1337 O LYS A 92 4.141 11.422 -3.223 1.00 0.00 O ATOM 1338 CB LYS A 92 7.282 10.765 -2.845 1.00 0.00 C ATOM 1339 CG LYS A 92 7.186 11.655 -4.078 1.00 0.00 C ATOM 1340 CD LYS A 92 8.366 11.437 -5.015 1.00 0.00 C ATOM 1341 CE LYS A 92 9.660 11.988 -4.431 1.00 0.00 C ATOM 1342 NZ LYS A 92 10.806 11.842 -5.374 1.00 0.00 N ATOM 0 H LYS A 92 7.072 8.304 -2.730 1.00 0.00 H new ATOM 0 HA LYS A 92 5.691 10.424 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.628 11.369 -2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.041 10.003 -3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.256 11.447 -4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.151 12.701 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.481 10.371 -5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.165 11.919 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.526 13.041 -4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.888 11.468 -3.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.695 11.801 -4.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.694 10.967 -5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.830 12.656 -6.020 1.00 0.00 H new ATOM 1356 N ASN A 93 4.575 9.513 -4.337 1.00 0.00 N ATOM 1357 CA ASN A 93 3.447 9.636 -5.246 1.00 0.00 C ATOM 1358 C ASN A 93 3.176 8.295 -5.914 1.00 0.00 C ATOM 1359 O ASN A 93 3.583 8.061 -7.050 1.00 0.00 O ATOM 1360 CB ASN A 93 3.708 10.708 -6.311 1.00 0.00 C ATOM 1361 CG ASN A 93 2.477 11.007 -7.148 1.00 0.00 C ATOM 1362 OD1 ASN A 93 1.472 11.511 -6.643 1.00 0.00 O ATOM 1363 ND2 ASN A 93 2.546 10.696 -8.434 1.00 0.00 N ATOM 0 H ASN A 93 5.142 8.678 -4.488 1.00 0.00 H new ATOM 0 HA ASN A 93 2.574 9.939 -4.668 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.045 11.624 -5.825 1.00 0.00 H new ATOM 0 HB3 ASN A 93 4.516 10.378 -6.964 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.748 10.873 -9.045 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.397 10.280 -8.813 1.00 0.00 H new ATOM 1370 N ALA A 94 2.530 7.396 -5.187 1.00 0.00 N ATOM 1371 CA ALA A 94 2.261 6.065 -5.707 1.00 0.00 C ATOM 1372 C ALA A 94 0.829 5.638 -5.410 1.00 0.00 C ATOM 1373 O ALA A 94 0.575 4.914 -4.448 1.00 0.00 O ATOM 1374 CB ALA A 94 3.247 5.059 -5.134 1.00 0.00 C ATOM 0 H ALA A 94 2.185 7.562 -4.242 1.00 0.00 H new ATOM 0 HA ALA A 94 2.385 6.096 -6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.030 4.069 -5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.262 5.347 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.157 5.039 -4.048 1.00 0.00 H new ATOM 1380 N PRO A 95 -0.121 6.042 -6.261 1.00 0.00 N ATOM 1381 CA PRO A 95 -1.521 5.661 -6.120 1.00 0.00 C ATOM 1382 C PRO A 95 -1.726 4.208 -6.531 1.00 0.00 C ATOM 1383 O PRO A 95 -1.623 3.866 -7.710 1.00 0.00 O ATOM 1384 CB PRO A 95 -2.262 6.604 -7.082 1.00 0.00 C ATOM 1385 CG PRO A 95 -1.232 7.571 -7.572 1.00 0.00 C ATOM 1386 CD PRO A 95 0.087 6.866 -7.451 1.00 0.00 C ATOM 0 HA PRO A 95 -1.877 5.743 -5.093 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.705 6.050 -7.910 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.075 7.122 -6.574 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.427 7.859 -8.605 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.242 8.485 -6.979 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.311 6.263 -8.331 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.914 7.565 -7.325 1.00 0.00 H new ATOM 1394 N LEU A 96 -1.898 3.345 -5.542 1.00 0.00 N ATOM 1395 CA LEU A 96 -1.977 1.913 -5.785 1.00 0.00 C ATOM 1396 C LEU A 96 -3.411 1.476 -6.035 1.00 0.00 C ATOM 1397 O LEU A 96 -4.337 1.924 -5.359 1.00 0.00 O ATOM 1398 CB LEU A 96 -1.398 1.139 -4.596 1.00 0.00 C ATOM 1399 CG LEU A 96 -0.075 0.424 -4.870 1.00 0.00 C ATOM 1400 CD1 LEU A 96 1.087 1.395 -4.738 1.00 0.00 C ATOM 1401 CD2 LEU A 96 0.104 -0.751 -3.921 1.00 0.00 C ATOM 0 H LEU A 96 -1.986 3.612 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.391 1.693 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.254 1.832 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.131 0.401 -4.271 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.094 0.041 -5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.023 0.872 -4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.966 2.207 -5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.107 1.804 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.051 -1.248 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.104 -0.391 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.714 -1.458 -4.058 1.00 0.00 H new ATOM 1413 N ASP A 97 -3.580 0.563 -6.973 1.00 0.00 N ATOM 1414 CA ASP A 97 -4.889 0.009 -7.277 1.00 0.00 C ATOM 1415 C ASP A 97 -5.168 -1.184 -6.373 1.00 0.00 C ATOM 1416 O ASP A 97 -4.488 -2.211 -6.457 1.00 0.00 O ATOM 1417 CB ASP A 97 -4.959 -0.408 -8.747 1.00 0.00 C ATOM 1418 CG ASP A 97 -6.127 -1.328 -9.050 1.00 0.00 C ATOM 1419 OD1 ASP A 97 -7.275 -0.979 -8.700 1.00 0.00 O ATOM 1420 OD2 ASP A 97 -5.896 -2.391 -9.659 1.00 0.00 O ATOM 0 H ASP A 97 -2.822 0.186 -7.542 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.647 0.771 -7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.036 0.484 -9.368 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -4.030 -0.908 -9.021 1.00 0.00 H new ATOM 1425 N PHE A 98 -6.132 -1.028 -5.482 1.00 0.00 N ATOM 1426 CA PHE A 98 -6.468 -2.070 -4.529 1.00 0.00 C ATOM 1427 C PHE A 98 -7.475 -3.041 -5.130 1.00 0.00 C ATOM 1428 O PHE A 98 -8.645 -2.708 -5.317 1.00 0.00 O ATOM 1429 CB PHE A 98 -7.025 -1.463 -3.236 1.00 0.00 C ATOM 1430 CG PHE A 98 -7.519 -2.491 -2.255 1.00 0.00 C ATOM 1431 CD1 PHE A 98 -6.651 -3.426 -1.712 1.00 0.00 C ATOM 1432 CD2 PHE A 98 -8.853 -2.524 -1.882 1.00 0.00 C ATOM 1433 CE1 PHE A 98 -7.105 -4.375 -0.816 1.00 0.00 C ATOM 1434 CE2 PHE A 98 -9.313 -3.468 -0.984 1.00 0.00 C ATOM 1435 CZ PHE A 98 -8.438 -4.398 -0.452 1.00 0.00 C ATOM 0 H PHE A 98 -6.699 -0.184 -5.399 1.00 0.00 H new ATOM 0 HA PHE A 98 -5.556 -2.617 -4.290 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -6.248 -0.863 -2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -7.843 -0.787 -3.484 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -5.608 -3.412 -1.993 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.541 -1.803 -2.298 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -6.419 -5.098 -0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -10.354 -3.480 -0.698 1.00 0.00 H new ATOM 0 HZ PHE A 98 -8.796 -5.140 0.246 1.00 0.00 H new ATOM 1445 N LYS A 99 -7.026 -4.257 -5.376 1.00 0.00 N ATOM 1446 CA LYS A 99 -7.897 -5.295 -5.886 1.00 0.00 C ATOM 1447 C LYS A 99 -8.228 -6.274 -4.772 1.00 0.00 C ATOM 1448 O LYS A 99 -7.367 -6.592 -3.947 1.00 0.00 O ATOM 1449 CB LYS A 99 -7.237 -6.029 -7.051 1.00 0.00 C ATOM 1450 CG LYS A 99 -6.885 -5.123 -8.216 1.00 0.00 C ATOM 1451 CD LYS A 99 -7.463 -5.638 -9.525 1.00 0.00 C ATOM 1452 CE LYS A 99 -6.745 -6.891 -10.008 1.00 0.00 C ATOM 1453 NZ LYS A 99 -5.280 -6.834 -9.756 1.00 0.00 N ATOM 0 H LYS A 99 -6.060 -4.549 -5.230 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.816 -4.835 -6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.330 -6.518 -6.695 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -7.907 -6.814 -7.401 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.262 -4.119 -8.022 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.801 -5.046 -8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.523 -5.855 -9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.389 -4.861 -10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.164 -7.763 -9.507 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.923 -7.021 -11.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.808 -7.602 -10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.908 -5.918 -10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.098 -6.942 -8.738 1.00 0.00 H new ATOM 1467 N PRO A 100 -9.495 -6.710 -4.698 1.00 0.00 N ATOM 1468 CA PRO A 100 -9.978 -7.604 -3.644 1.00 0.00 C ATOM 1469 C PRO A 100 -9.136 -8.870 -3.505 1.00 0.00 C ATOM 1470 O PRO A 100 -9.128 -9.730 -4.391 1.00 0.00 O ATOM 1471 CB PRO A 100 -11.392 -7.952 -4.106 1.00 0.00 C ATOM 1472 CG PRO A 100 -11.815 -6.779 -4.909 1.00 0.00 C ATOM 1473 CD PRO A 100 -10.579 -6.303 -5.609 1.00 0.00 C ATOM 0 HA PRO A 100 -9.931 -7.133 -2.662 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.403 -8.866 -4.700 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.058 -8.115 -3.259 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.590 -7.053 -5.625 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.231 -5.998 -4.273 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -10.472 -6.762 -6.592 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -10.593 -5.224 -5.761 1.00 0.00 H new ATOM 1481 N HIS A 101 -8.392 -8.947 -2.409 1.00 0.00 N ATOM 1482 CA HIS A 101 -7.504 -10.064 -2.152 1.00 0.00 C ATOM 1483 C HIS A 101 -8.259 -11.378 -2.055 1.00 0.00 C ATOM 1484 O HIS A 101 -9.338 -11.447 -1.468 1.00 0.00 O ATOM 1485 CB HIS A 101 -6.747 -9.824 -0.858 1.00 0.00 C ATOM 1486 CG HIS A 101 -5.444 -9.136 -1.058 1.00 0.00 C ATOM 1487 ND1 HIS A 101 -4.368 -9.326 -0.233 1.00 0.00 N ATOM 1488 CD2 HIS A 101 -5.047 -8.259 -2.003 1.00 0.00 C ATOM 1489 CE1 HIS A 101 -3.364 -8.591 -0.658 1.00 0.00 C ATOM 1490 NE2 HIS A 101 -3.745 -7.934 -1.737 1.00 0.00 N ATOM 0 H HIS A 101 -8.390 -8.237 -1.677 1.00 0.00 H new ATOM 0 HA HIS A 101 -6.811 -10.136 -2.990 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -7.366 -9.227 -0.188 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -6.573 -10.780 -0.364 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -4.348 -9.940 0.581 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.646 -7.883 -2.819 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -2.388 -8.534 -0.199 1.00 0.00 H new ATOM 1499 N HIS A 102 -7.638 -12.427 -2.565 1.00 0.00 N ATOM 1500 CA HIS A 102 -8.181 -13.766 -2.475 1.00 0.00 C ATOM 1501 C HIS A 102 -7.079 -14.763 -2.775 1.00 0.00 C ATOM 1502 O HIS A 102 -7.116 -15.885 -2.233 1.00 0.00 O ATOM 1503 CB HIS A 102 -9.347 -13.953 -3.450 1.00 0.00 C ATOM 1504 CG HIS A 102 -10.457 -14.790 -2.895 1.00 0.00 C ATOM 1505 ND1 HIS A 102 -10.388 -15.420 -1.671 1.00 0.00 N ATOM 1506 CD2 HIS A 102 -11.669 -15.104 -3.408 1.00 0.00 C ATOM 1507 CE1 HIS A 102 -11.507 -16.086 -1.458 1.00 0.00 C ATOM 1508 NE2 HIS A 102 -12.298 -15.911 -2.496 1.00 0.00 N ATOM 0 H HIS A 102 -6.744 -12.372 -3.052 1.00 0.00 H new ATOM 0 HA HIS A 102 -8.564 -13.929 -1.467 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -9.742 -12.975 -3.725 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -8.976 -14.415 -4.365 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -12.066 -14.779 -4.358 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -11.735 -16.674 -0.582 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -13.230 -16.312 -2.604 1.00 0.00 H new TER 1517 HIS A 102