USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 745 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 62 GLN : amide:sc= -0.206 K(o=1,f=0.29) USER MOD Set 1.2: B 12 SER OG : rot 118:sc= 1.23 USER MOD Set 2.1: A 75 GLN : amide:sc= 0.565 K(o=1.8,f=1.1) USER MOD Set 2.2: A 88 LYS NZ :NH3+ -144:sc= 1.21 (180deg=1.04) USER MOD Set 3.1: A 70 HIS : no HD1:sc= -0.513 K(o=-0.21,f=-6.3) USER MOD Set 3.2: A 74 CYS SG : rot 133:sc= -0.151 USER MOD Set 3.3: A 84 CYS SG : rot 122:sc= 0.452 USER MOD Set 4.1: A 45 HIS : no HD1:sc= 0 X(o=-0.14,f=-0.15) USER MOD Set 4.2: A 49 CYS SG : rot 87:sc= -0.145 USER MOD Set 5.1: A 35 SER OG : rot -132:sc= 1.19 USER MOD Set 5.2: B 21 THR OG1 : rot -59:sc= 2.35 USER MOD Set 6.1: A 28 ASN : amide:sc= -0.285 K(o=-0.67,f=-2.3) USER MOD Set 6.2: A 30 ASN : amide:sc= -0.387 X(o=-0.67,f=-0.26) USER MOD Set 7.1: A 22 HIS : no HD1:sc= -1.55 K(o=-2.9,f=1.2) USER MOD Set 7.2: A 26 CYS SG : rot 145:sc= 0.365 USER MOD Set 7.3: A 36 CYS SG : rot 177:sc= -1.75 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 74:sc= 0.402 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 18 GLN : amide:sc=-0.00682 K(o=-0.0068,f=-1.2) USER MOD Single : A 19 SER OG : rot 171:sc= 1.52 USER MOD Single : A 25 GLN : amide:sc= -0.0451 X(o=-0.045,f=0) USER MOD Single : A 31 CYS SG : rot 180:sc= -0.439 USER MOD Single : A 32 SER OG : rot 55:sc= 0.12 USER MOD Single : A 37 GLN : amide:sc= -0.0769 K(o=-0.077,f=-1.8) USER MOD Single : A 38 LYS NZ :NH3+ 156:sc= 1.24 (180deg=0.643) USER MOD Single : A 39 MET CE :methyl -176:sc= -9.28! (180deg=-9.76!) USER MOD Single : A 40 LYS NZ :NH3+ -113:sc= -0.128 (180deg=-2.71!) USER MOD Single : A 44 GLN : amide:sc= -0.0339 K(o=-0.034,f=-0.7) USER MOD Single : A 46 THR OG1 : rot 105:sc= 0.831 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -153:sc= -0.0391 (180deg=-1.26) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0727 K(o=-0.073,f=-1.8!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 30:sc= -12.9! USER MOD Single : A 61 LYS NZ :NH3+ -142:sc= -0.0278 (180deg=-0.809) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00055) USER MOD Single : A 73 HIS : no HE2:sc= 0.434 K(o=0.43,f=-2.5!) USER MOD Single : A 77 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.8!) USER MOD Single : A 78 LYS NZ :NH3+ 167:sc= -0.0301 (180deg=-0.227) USER MOD Single : A 79 CYS SG : rot 2:sc= -1.21! USER MOD Single : A 86 ASN : amide:sc= 0.469 K(o=0.47,f=-4.2!) USER MOD Single : B 18 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 76 N ASP A 7 12.548 -11.853 0.866 1.00 0.00 N ATOM 77 CA ASP A 7 12.045 -12.016 -0.423 1.00 0.00 C ATOM 78 C ASP A 7 10.570 -12.035 -0.151 1.00 0.00 C ATOM 79 O ASP A 7 9.829 -11.286 -0.729 1.00 0.00 O ATOM 80 CB ASP A 7 12.429 -13.353 -0.957 1.00 0.00 C ATOM 81 CG ASP A 7 12.064 -13.587 -2.405 1.00 0.00 C ATOM 82 OD1 ASP A 7 12.585 -12.869 -3.285 1.00 0.00 O ATOM 83 OD2 ASP A 7 11.276 -14.512 -2.695 1.00 0.00 O ATOM 0 HA ASP A 7 12.391 -11.264 -1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 7 13.506 -13.478 -0.844 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.953 -14.122 -0.348 1.00 0.00 H new ATOM 88 N SER A 8 10.208 -12.772 0.913 1.00 0.00 N ATOM 89 CA SER A 8 8.901 -12.860 1.290 1.00 0.00 C ATOM 90 C SER A 8 8.380 -11.478 1.868 1.00 0.00 C ATOM 91 O SER A 8 7.273 -11.108 1.561 1.00 0.00 O ATOM 92 CB SER A 8 8.641 -14.055 2.219 1.00 0.00 C ATOM 93 OG SER A 8 7.256 -14.241 2.489 1.00 0.00 O ATOM 0 H SER A 8 10.858 -13.300 1.496 1.00 0.00 H new ATOM 0 HA SER A 8 8.308 -13.063 0.398 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.044 -14.960 1.764 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.174 -13.905 3.158 1.00 0.00 H new ATOM 0 HG SER A 8 7.139 -15.012 3.082 1.00 0.00 H new ATOM 99 N ARG A 9 9.227 -10.681 2.681 1.00 0.00 N ATOM 100 CA ARG A 9 8.823 -9.374 3.130 1.00 0.00 C ATOM 101 C ARG A 9 8.546 -8.528 1.906 1.00 0.00 C ATOM 102 O ARG A 9 7.564 -7.817 1.845 1.00 0.00 O ATOM 103 CB ARG A 9 9.963 -8.670 3.878 1.00 0.00 C ATOM 104 CG ARG A 9 9.568 -7.347 4.410 1.00 0.00 C ATOM 105 CD ARG A 9 8.563 -7.448 5.570 1.00 0.00 C ATOM 106 NE ARG A 9 9.180 -7.992 6.795 1.00 0.00 N ATOM 107 CZ ARG A 9 8.551 -8.701 7.749 1.00 0.00 C ATOM 108 NH1 ARG A 9 7.323 -9.129 7.575 1.00 0.00 N ATOM 109 NH2 ARG A 9 9.179 -8.997 8.876 1.00 0.00 N ATOM 0 H ARG A 9 10.154 -10.969 2.995 1.00 0.00 H new ATOM 0 HA ARG A 9 7.957 -9.487 3.782 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.297 -9.302 4.701 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.812 -8.547 3.205 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.457 -6.817 4.751 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.131 -6.753 3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.152 -6.460 5.780 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.729 -8.084 5.272 1.00 0.00 H new ATOM 0 HE ARG A 9 10.175 -7.814 6.931 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.830 -8.925 6.705 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.861 -9.666 8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.140 -8.687 9.021 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.702 -9.535 9.600 1.00 0.00 H new ATOM 123 N ARG A 10 9.448 -8.623 0.930 1.00 0.00 N ATOM 124 CA ARG A 10 9.351 -7.858 -0.275 1.00 0.00 C ATOM 125 C ARG A 10 8.182 -8.182 -1.063 1.00 0.00 C ATOM 126 O ARG A 10 7.478 -7.323 -1.377 1.00 0.00 O ATOM 127 CB ARG A 10 10.515 -7.988 -1.135 1.00 0.00 C ATOM 128 CG ARG A 10 11.723 -7.332 -0.628 1.00 0.00 C ATOM 129 CD ARG A 10 12.681 -7.406 -1.699 1.00 0.00 C ATOM 130 NE ARG A 10 14.006 -6.886 -1.324 1.00 0.00 N ATOM 131 CZ ARG A 10 14.878 -6.276 -2.146 1.00 0.00 C ATOM 132 NH1 ARG A 10 14.572 -6.078 -3.439 1.00 0.00 N ATOM 133 NH2 ARG A 10 16.052 -5.871 -1.663 1.00 0.00 N ATOM 0 H ARG A 10 10.261 -9.238 0.969 1.00 0.00 H new ATOM 0 HA ARG A 10 9.277 -6.831 0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.726 -9.047 -1.281 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.275 -7.573 -2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.521 -6.297 -0.353 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.095 -7.832 0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.781 -8.443 -2.018 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.305 -6.844 -2.554 1.00 0.00 H new ATOM 0 HE ARG A 10 14.289 -6.999 -0.351 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.672 -6.391 -3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.239 -5.614 -4.056 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.280 -6.025 -0.681 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.723 -5.407 -2.276 1.00 0.00 H new ATOM 147 N LEU A 11 7.989 -9.436 -1.398 1.00 0.00 N ATOM 148 CA LEU A 11 6.830 -9.842 -2.167 1.00 0.00 C ATOM 149 C LEU A 11 5.592 -9.487 -1.488 1.00 0.00 C ATOM 150 O LEU A 11 4.635 -9.099 -2.110 1.00 0.00 O ATOM 151 CB LEU A 11 6.854 -11.281 -2.461 1.00 0.00 C ATOM 152 CG LEU A 11 7.929 -11.650 -3.438 1.00 0.00 C ATOM 153 CD1 LEU A 11 8.614 -12.808 -2.923 1.00 0.00 C ATOM 154 CD2 LEU A 11 7.348 -11.909 -4.816 1.00 0.00 C ATOM 0 H LEU A 11 8.621 -10.197 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 11 6.870 -9.301 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.004 -11.835 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.886 -11.583 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 11 8.635 -10.827 -3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.404 -13.101 -3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.050 -12.571 -1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.906 -13.630 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.150 -12.175 -5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.631 -12.728 -4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.845 -11.010 -5.174 1.00 0.00 H new ATOM 166 N SER A 12 5.660 -9.521 -0.206 1.00 0.00 N ATOM 167 CA SER A 12 4.527 -9.195 0.607 1.00 0.00 C ATOM 168 C SER A 12 4.248 -7.684 0.471 1.00 0.00 C ATOM 169 O SER A 12 3.161 -7.283 0.064 1.00 0.00 O ATOM 170 CB SER A 12 4.775 -9.621 2.070 1.00 0.00 C ATOM 171 OG SER A 12 3.626 -9.516 2.876 1.00 0.00 O ATOM 0 H SER A 12 6.499 -9.774 0.316 1.00 0.00 H new ATOM 0 HA SER A 12 3.644 -9.740 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.131 -10.651 2.087 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.567 -9.003 2.493 1.00 0.00 H new ATOM 0 HG SER A 12 3.005 -10.242 2.656 1.00 0.00 H new ATOM 177 N ILE A 13 5.256 -6.858 0.724 1.00 0.00 N ATOM 178 CA ILE A 13 5.092 -5.424 0.588 1.00 0.00 C ATOM 179 C ILE A 13 4.953 -4.979 -0.828 1.00 0.00 C ATOM 180 O ILE A 13 4.321 -4.017 -1.081 1.00 0.00 O ATOM 181 CB ILE A 13 6.128 -4.603 1.257 1.00 0.00 C ATOM 182 CG1 ILE A 13 7.416 -4.849 0.643 1.00 0.00 C ATOM 183 CG2 ILE A 13 6.084 -4.751 2.731 1.00 0.00 C ATOM 184 CD1 ILE A 13 8.595 -4.478 1.364 1.00 0.00 C ATOM 0 H ILE A 13 6.185 -7.157 1.021 1.00 0.00 H new ATOM 0 HA ILE A 13 4.155 -5.246 1.115 1.00 0.00 H new ATOM 0 HB ILE A 13 5.922 -3.544 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.482 -5.915 0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.433 -4.326 -0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.860 -4.132 3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.108 -4.435 3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.252 -5.795 2.997 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.476 -4.726 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.579 -3.406 1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.629 -5.019 2.310 1.00 0.00 H new ATOM 196 N GLN A 14 5.581 -5.655 -1.732 1.00 0.00 N ATOM 197 CA GLN A 14 5.376 -5.426 -3.149 1.00 0.00 C ATOM 198 C GLN A 14 3.925 -5.506 -3.420 1.00 0.00 C ATOM 199 O GLN A 14 3.396 -4.623 -3.907 1.00 0.00 O ATOM 200 CB GLN A 14 6.077 -6.469 -4.000 1.00 0.00 C ATOM 201 CG GLN A 14 7.547 -6.288 -4.254 1.00 0.00 C ATOM 202 CD GLN A 14 8.088 -7.479 -5.018 1.00 0.00 C ATOM 203 OE1 GLN A 14 7.355 -8.125 -5.780 1.00 0.00 O ATOM 204 NE2 GLN A 14 9.346 -7.773 -4.857 1.00 0.00 N ATOM 0 H GLN A 14 6.257 -6.389 -1.521 1.00 0.00 H new ATOM 0 HA GLN A 14 5.787 -4.449 -3.402 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.935 -7.440 -3.525 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.572 -6.509 -4.965 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.717 -5.373 -4.821 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.078 -6.180 -3.308 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.922 -7.220 -4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.756 -8.556 -5.366 1.00 0.00 H new ATOM 213 N ARG A 15 3.313 -6.560 -3.012 1.00 0.00 N ATOM 214 CA ARG A 15 1.865 -6.765 -3.201 1.00 0.00 C ATOM 215 C ARG A 15 1.036 -5.800 -2.463 1.00 0.00 C ATOM 216 O ARG A 15 -0.059 -5.463 -2.871 1.00 0.00 O ATOM 217 CB ARG A 15 1.512 -8.093 -2.769 1.00 0.00 C ATOM 218 CG ARG A 15 2.191 -9.099 -3.664 1.00 0.00 C ATOM 219 CD ARG A 15 1.491 -10.431 -3.641 1.00 0.00 C ATOM 220 NE ARG A 15 1.465 -11.033 -2.303 1.00 0.00 N ATOM 221 CZ ARG A 15 1.652 -12.325 -2.025 1.00 0.00 C ATOM 222 NH1 ARG A 15 1.926 -13.199 -2.991 1.00 0.00 N ATOM 223 NH2 ARG A 15 1.574 -12.736 -0.769 1.00 0.00 N ATOM 0 H ARG A 15 3.779 -7.329 -2.530 1.00 0.00 H new ATOM 0 HA ARG A 15 1.667 -6.620 -4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.816 -8.245 -1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.431 -8.226 -2.806 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.215 -8.719 -4.685 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.226 -9.227 -3.347 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.469 -10.306 -3.999 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.990 -11.111 -4.332 1.00 0.00 H new ATOM 0 HE ARG A 15 1.288 -10.409 -1.516 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.996 -12.884 -3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.066 -14.183 -2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.373 -12.068 -0.025 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.715 -13.721 -0.545 1.00 0.00 H new ATOM 237 N ALA A 16 1.584 -5.352 -1.435 1.00 0.00 N ATOM 238 CA ALA A 16 1.002 -4.420 -0.540 1.00 0.00 C ATOM 239 C ALA A 16 0.927 -3.140 -1.236 1.00 0.00 C ATOM 240 O ALA A 16 -0.102 -2.555 -1.352 1.00 0.00 O ATOM 241 CB ALA A 16 1.907 -4.338 0.645 1.00 0.00 C ATOM 0 H ALA A 16 2.523 -5.634 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 16 0.002 -4.705 -0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.499 -3.629 1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.989 -5.321 1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.894 -4.004 0.326 1.00 0.00 H new ATOM 247 N ILE A 17 2.021 -2.806 -1.800 1.00 0.00 N ATOM 248 CA ILE A 17 2.212 -1.640 -2.510 1.00 0.00 C ATOM 249 C ILE A 17 1.584 -1.727 -3.880 1.00 0.00 C ATOM 250 O ILE A 17 0.906 -0.887 -4.237 1.00 0.00 O ATOM 251 CB ILE A 17 3.661 -1.365 -2.685 1.00 0.00 C ATOM 252 CG1 ILE A 17 4.376 -1.162 -1.391 1.00 0.00 C ATOM 253 CG2 ILE A 17 3.812 -0.211 -3.542 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.763 -0.774 -1.554 1.00 0.00 C ATOM 0 H ILE A 17 2.855 -3.392 -1.766 1.00 0.00 H new ATOM 0 HA ILE A 17 1.742 -0.838 -1.940 1.00 0.00 H new ATOM 0 HB ILE A 17 4.119 -2.241 -3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.858 -0.396 -0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.330 -2.084 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.872 0.004 -3.680 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.354 -0.414 -4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.324 0.649 -3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.222 -0.643 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.296 -1.550 -2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.816 0.164 -2.107 1.00 0.00 H new ATOM 266 N GLN A 18 1.857 -2.761 -4.622 1.00 0.00 N ATOM 267 CA GLN A 18 1.336 -2.955 -5.973 1.00 0.00 C ATOM 268 C GLN A 18 -0.139 -2.940 -5.926 1.00 0.00 C ATOM 269 O GLN A 18 -0.760 -2.429 -6.826 1.00 0.00 O ATOM 270 CB GLN A 18 1.774 -4.319 -6.557 1.00 0.00 C ATOM 271 CG GLN A 18 3.252 -4.466 -6.834 1.00 0.00 C ATOM 272 CD GLN A 18 3.657 -5.894 -7.198 1.00 0.00 C ATOM 273 OE1 GLN A 18 3.026 -6.871 -6.767 1.00 0.00 O ATOM 274 NE2 GLN A 18 4.734 -6.032 -7.924 1.00 0.00 N ATOM 0 H GLN A 18 2.462 -3.520 -4.310 1.00 0.00 H new ATOM 0 HA GLN A 18 1.726 -2.154 -6.601 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.473 -5.104 -5.864 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.230 -4.488 -7.486 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.531 -3.797 -7.648 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.813 -4.149 -5.955 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.230 -5.207 -8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.079 -6.964 -8.152 1.00 0.00 H new ATOM 283 N SER A 19 -0.711 -3.509 -4.893 1.00 0.00 N ATOM 284 CA SER A 19 -2.117 -3.426 -4.787 1.00 0.00 C ATOM 285 C SER A 19 -2.505 -2.097 -4.390 1.00 0.00 C ATOM 286 O SER A 19 -3.388 -1.557 -4.967 1.00 0.00 O ATOM 287 CB SER A 19 -2.703 -4.437 -3.899 1.00 0.00 C ATOM 288 OG SER A 19 -2.350 -5.732 -4.343 1.00 0.00 O ATOM 0 H SER A 19 -0.232 -4.014 -4.147 1.00 0.00 H new ATOM 0 HA SER A 19 -2.519 -3.641 -5.777 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.351 -4.285 -2.879 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.788 -4.333 -3.881 1.00 0.00 H new ATOM 0 HG SER A 19 -2.621 -6.393 -3.672 1.00 0.00 H new ATOM 294 N LEU A 20 -1.809 -1.551 -3.455 1.00 0.00 N ATOM 295 CA LEU A 20 -2.071 -0.280 -2.978 1.00 0.00 C ATOM 296 C LEU A 20 -1.985 0.792 -4.051 1.00 0.00 C ATOM 297 O LEU A 20 -2.869 1.607 -4.203 1.00 0.00 O ATOM 298 CB LEU A 20 -1.132 0.053 -1.914 1.00 0.00 C ATOM 299 CG LEU A 20 -1.518 1.149 -1.264 1.00 0.00 C ATOM 300 CD1 LEU A 20 -2.383 0.722 -0.147 1.00 0.00 C ATOM 301 CD2 LEU A 20 -0.403 1.996 -0.976 1.00 0.00 C ATOM 0 H LEU A 20 -1.020 -2.010 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.096 -0.297 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.057 -0.781 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.139 0.206 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.137 1.814 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.718 1.598 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.248 0.188 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.822 0.064 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.748 2.883 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.313 1.457 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.077 2.295 -1.908 1.00 0.00 H new ATOM 313 N VAL A 21 -0.906 0.771 -4.730 1.00 0.00 N ATOM 314 CA VAL A 21 -0.586 1.619 -5.792 1.00 0.00 C ATOM 315 C VAL A 21 -1.632 1.520 -6.865 1.00 0.00 C ATOM 316 O VAL A 21 -2.092 2.507 -7.404 1.00 0.00 O ATOM 317 CB VAL A 21 0.789 1.247 -6.387 1.00 0.00 C ATOM 318 CG1 VAL A 21 0.871 1.821 -7.727 1.00 0.00 C ATOM 319 CG2 VAL A 21 1.970 1.679 -5.480 1.00 0.00 C ATOM 0 H VAL A 21 -0.164 0.099 -4.535 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.547 2.640 -5.413 1.00 0.00 H new ATOM 0 HB VAL A 21 0.876 0.162 -6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.835 1.572 -8.171 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.071 1.415 -8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.768 2.904 -7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.912 1.392 -5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.947 2.760 -5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.882 1.189 -4.510 1.00 0.00 H new ATOM 329 N HIS A 22 -1.980 0.331 -7.145 1.00 0.00 N ATOM 330 CA HIS A 22 -2.970 0.029 -8.134 1.00 0.00 C ATOM 331 C HIS A 22 -4.240 0.531 -7.674 1.00 0.00 C ATOM 332 O HIS A 22 -4.858 1.174 -8.349 1.00 0.00 O ATOM 333 CB HIS A 22 -3.028 -1.434 -8.325 1.00 0.00 C ATOM 334 CG HIS A 22 -3.957 -1.931 -9.400 1.00 0.00 C ATOM 335 ND1 HIS A 22 -3.574 -2.078 -10.710 1.00 0.00 N ATOM 336 CD2 HIS A 22 -5.244 -2.324 -9.344 1.00 0.00 C ATOM 337 CE1 HIS A 22 -4.578 -2.535 -11.417 1.00 0.00 C ATOM 338 NE2 HIS A 22 -5.609 -2.698 -10.621 1.00 0.00 N ATOM 0 H HIS A 22 -1.584 -0.492 -6.691 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.722 0.496 -9.087 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.023 -1.789 -8.551 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.323 -1.891 -7.380 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.872 -2.343 -8.465 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.560 -2.743 -12.477 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.527 -3.044 -10.900 1.00 0.00 H new ATOM 347 N ALA A 23 -4.543 0.284 -6.488 1.00 0.00 N ATOM 348 CA ALA A 23 -5.760 0.687 -5.873 1.00 0.00 C ATOM 349 C ALA A 23 -5.890 2.212 -5.893 1.00 0.00 C ATOM 350 O ALA A 23 -6.958 2.771 -6.083 1.00 0.00 O ATOM 351 CB ALA A 23 -5.689 0.140 -4.478 1.00 0.00 C ATOM 0 H ALA A 23 -3.929 -0.235 -5.860 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.641 0.312 -6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.595 0.409 -3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.598 -0.946 -4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.822 0.559 -3.967 1.00 0.00 H new ATOM 357 N ALA A 24 -4.788 2.829 -5.766 1.00 0.00 N ATOM 358 CA ALA A 24 -4.664 4.238 -5.786 1.00 0.00 C ATOM 359 C ALA A 24 -4.900 4.770 -7.172 1.00 0.00 C ATOM 360 O ALA A 24 -5.613 5.750 -7.397 1.00 0.00 O ATOM 361 CB ALA A 24 -3.259 4.504 -5.447 1.00 0.00 C ATOM 0 H ALA A 24 -3.898 2.348 -5.638 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.379 4.701 -5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.083 5.580 -5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.039 4.096 -4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.611 4.034 -6.187 1.00 0.00 H new ATOM 367 N GLN A 25 -4.269 4.114 -8.076 1.00 0.00 N ATOM 368 CA GLN A 25 -4.191 4.515 -9.423 1.00 0.00 C ATOM 369 C GLN A 25 -5.372 4.007 -10.255 1.00 0.00 C ATOM 370 O GLN A 25 -5.768 4.621 -11.251 1.00 0.00 O ATOM 371 CB GLN A 25 -2.896 3.956 -9.967 1.00 0.00 C ATOM 372 CG GLN A 25 -2.540 4.413 -11.316 1.00 0.00 C ATOM 373 CD GLN A 25 -1.568 3.462 -12.033 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.664 3.291 -13.249 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.556 2.922 -11.354 1.00 0.00 N ATOM 0 H GLN A 25 -3.772 3.244 -7.883 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.224 5.603 -9.482 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.088 4.222 -9.285 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.962 2.868 -9.974 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.448 4.513 -11.911 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.090 5.404 -11.252 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.482 3.067 -10.347 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.145 2.363 -11.841 1.00 0.00 H new ATOM 384 N CYS A 26 -5.931 2.935 -9.817 1.00 0.00 N ATOM 385 CA CYS A 26 -6.958 2.268 -10.483 1.00 0.00 C ATOM 386 C CYS A 26 -8.236 2.928 -10.080 1.00 0.00 C ATOM 387 O CYS A 26 -8.526 3.025 -8.880 1.00 0.00 O ATOM 388 CB CYS A 26 -6.996 0.763 -10.045 1.00 0.00 C ATOM 389 SG CYS A 26 -8.216 -0.270 -10.884 1.00 0.00 S ATOM 0 H CYS A 26 -5.661 2.489 -8.940 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.808 2.310 -11.562 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.008 0.332 -10.209 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.188 0.721 -8.973 1.00 0.00 H new ATOM 0 HG CYS A 26 -7.737 -1.469 -11.038 1.00 0.00 H new ATOM 395 N ARG A 27 -9.046 3.340 -10.996 1.00 0.00 N ATOM 396 CA ARG A 27 -10.246 3.943 -10.542 1.00 0.00 C ATOM 397 C ARG A 27 -11.362 3.370 -11.258 1.00 0.00 C ATOM 398 O ARG A 27 -11.824 3.821 -12.294 1.00 0.00 O ATOM 399 CB ARG A 27 -10.264 5.509 -10.499 1.00 0.00 C ATOM 400 CG ARG A 27 -9.899 6.264 -11.788 1.00 0.00 C ATOM 401 CD ARG A 27 -8.392 6.410 -11.973 1.00 0.00 C ATOM 402 NE ARG A 27 -8.059 7.192 -13.162 1.00 0.00 N ATOM 403 CZ ARG A 27 -6.817 7.481 -13.554 1.00 0.00 C ATOM 404 NH1 ARG A 27 -5.776 6.900 -12.958 1.00 0.00 N ATOM 405 NH2 ARG A 27 -6.620 8.307 -14.575 1.00 0.00 N ATOM 0 H ARG A 27 -8.911 3.276 -12.005 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.330 3.704 -9.482 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.263 5.825 -10.197 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.577 5.831 -9.716 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.318 5.736 -12.645 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.357 7.253 -11.768 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.963 6.889 -11.093 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.939 5.422 -12.051 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.830 7.541 -13.732 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.928 6.233 -12.201 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.827 7.122 -13.259 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.418 8.720 -15.058 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.671 8.529 -14.876 1.00 0.00 H new ATOM 419 N ASN A 28 -11.704 2.304 -10.708 1.00 0.00 N ATOM 420 CA ASN A 28 -12.780 1.515 -11.038 1.00 0.00 C ATOM 421 C ASN A 28 -13.220 0.964 -9.714 1.00 0.00 C ATOM 422 O ASN A 28 -12.549 0.062 -9.200 1.00 0.00 O ATOM 423 CB ASN A 28 -12.212 0.436 -11.890 1.00 0.00 C ATOM 424 CG ASN A 28 -13.148 -0.388 -12.652 1.00 0.00 C ATOM 425 OD1 ASN A 28 -14.302 -0.511 -12.324 1.00 0.00 O ATOM 426 ND2 ASN A 28 -12.625 -1.030 -13.651 1.00 0.00 N ATOM 0 H ASN A 28 -11.175 1.919 -9.925 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.603 2.005 -11.558 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.518 0.894 -12.594 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.627 -0.225 -11.250 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -13.196 -1.674 -14.199 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.643 -0.891 -13.888 1.00 0.00 H new ATOM 433 N ALA A 29 -14.204 1.521 -9.073 1.00 0.00 N ATOM 434 CA ALA A 29 -14.594 0.982 -7.773 1.00 0.00 C ATOM 435 C ALA A 29 -15.266 -0.368 -7.931 1.00 0.00 C ATOM 436 O ALA A 29 -15.406 -1.125 -6.991 1.00 0.00 O ATOM 437 CB ALA A 29 -15.449 1.955 -7.001 1.00 0.00 C ATOM 0 H ALA A 29 -14.745 2.321 -9.401 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.689 0.831 -7.185 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.719 1.518 -6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.893 2.878 -6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.354 2.173 -7.568 1.00 0.00 H new ATOM 443 N ASN A 30 -15.621 -0.649 -9.152 1.00 0.00 N ATOM 444 CA ASN A 30 -16.248 -1.880 -9.576 1.00 0.00 C ATOM 445 C ASN A 30 -15.330 -2.675 -10.435 1.00 0.00 C ATOM 446 O ASN A 30 -15.778 -3.454 -11.287 1.00 0.00 O ATOM 447 CB ASN A 30 -17.531 -1.599 -10.332 1.00 0.00 C ATOM 448 CG ASN A 30 -17.592 -0.201 -11.007 1.00 0.00 C ATOM 449 OD1 ASN A 30 -18.069 0.755 -10.405 1.00 0.00 O ATOM 450 ND2 ASN A 30 -17.072 -0.046 -12.210 1.00 0.00 N ATOM 0 H ASN A 30 -15.476 0.004 -9.922 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.482 -2.455 -8.680 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.661 -2.364 -11.098 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -18.371 -1.692 -9.643 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -17.064 0.875 -12.647 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.678 -0.848 -12.702 1.00 0.00 H new ATOM 457 N CYS A 31 -14.050 -2.491 -10.245 1.00 0.00 N ATOM 458 CA CYS A 31 -13.128 -3.442 -10.770 1.00 0.00 C ATOM 459 C CYS A 31 -13.454 -4.593 -10.003 1.00 0.00 C ATOM 460 O CYS A 31 -13.529 -4.436 -8.747 1.00 0.00 O ATOM 461 CB CYS A 31 -11.708 -3.101 -10.354 1.00 0.00 C ATOM 462 SG CYS A 31 -10.458 -4.296 -10.870 1.00 0.00 S ATOM 0 H CYS A 31 -13.636 -1.707 -9.741 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.182 -3.517 -11.856 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.449 -2.125 -10.765 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.675 -3.008 -9.268 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.288 -3.903 -10.464 1.00 0.00 H new ATOM 468 N SER A 32 -13.651 -5.754 -10.559 1.00 0.00 N ATOM 469 CA SER A 32 -13.847 -6.608 -9.579 1.00 0.00 C ATOM 470 C SER A 32 -12.598 -7.380 -9.496 1.00 0.00 C ATOM 471 O SER A 32 -12.419 -8.462 -10.056 1.00 0.00 O ATOM 472 CB SER A 32 -15.038 -7.518 -9.954 1.00 0.00 C ATOM 473 OG SER A 32 -14.964 -7.927 -11.326 1.00 0.00 O ATOM 0 H SER A 32 -13.670 -6.046 -11.536 1.00 0.00 H new ATOM 0 HA SER A 32 -14.080 -6.133 -8.626 1.00 0.00 H new ATOM 0 HB2 SER A 32 -15.045 -8.397 -9.309 1.00 0.00 H new ATOM 0 HB3 SER A 32 -15.974 -6.987 -9.780 1.00 0.00 H new ATOM 0 HG SER A 32 -14.095 -8.347 -11.496 1.00 0.00 H new ATOM 479 N LEU A 33 -11.700 -6.755 -8.839 1.00 0.00 N ATOM 480 CA LEU A 33 -10.817 -7.172 -8.038 1.00 0.00 C ATOM 481 C LEU A 33 -11.227 -6.518 -6.726 1.00 0.00 C ATOM 482 O LEU A 33 -10.891 -5.389 -6.522 1.00 0.00 O ATOM 483 CB LEU A 33 -9.467 -6.825 -8.586 1.00 0.00 C ATOM 484 CG LEU A 33 -8.330 -7.180 -7.750 1.00 0.00 C ATOM 485 CD1 LEU A 33 -8.590 -8.380 -6.942 1.00 0.00 C ATOM 486 CD2 LEU A 33 -7.157 -7.369 -8.555 1.00 0.00 C ATOM 0 H LEU A 33 -11.632 -5.742 -8.934 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.744 -8.249 -7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.351 -7.317 -9.551 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.436 -5.751 -8.770 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.164 -6.352 -7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.714 -8.606 -6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.446 -8.202 -6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.803 -9.223 -7.600 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.315 -7.634 -7.915 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.333 -8.170 -9.273 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.930 -6.447 -9.089 1.00 0.00 H new ATOM 498 N PRO A 34 -12.110 -7.077 -5.972 1.00 0.00 N ATOM 499 CA PRO A 34 -12.448 -6.596 -4.608 1.00 0.00 C ATOM 500 C PRO A 34 -11.294 -6.525 -3.716 1.00 0.00 C ATOM 501 O PRO A 34 -11.339 -5.887 -2.694 1.00 0.00 O ATOM 502 CB PRO A 34 -13.443 -7.586 -4.166 1.00 0.00 C ATOM 503 CG PRO A 34 -14.162 -7.788 -5.460 1.00 0.00 C ATOM 504 CD PRO A 34 -13.049 -8.036 -6.414 1.00 0.00 C ATOM 0 HA PRO A 34 -12.818 -5.571 -4.600 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -12.987 -8.502 -3.790 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.093 -7.207 -3.378 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.851 -8.631 -5.413 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -14.748 -6.912 -5.739 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.665 -9.054 -6.347 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.348 -7.876 -7.450 1.00 0.00 H new ATOM 512 N SER A 35 -10.295 -7.171 -4.080 1.00 0.00 N ATOM 513 CA SER A 35 -9.089 -7.018 -3.429 1.00 0.00 C ATOM 514 C SER A 35 -8.395 -5.680 -3.912 1.00 0.00 C ATOM 515 O SER A 35 -7.705 -5.020 -3.113 1.00 0.00 O ATOM 516 CB SER A 35 -8.288 -8.275 -3.606 1.00 0.00 C ATOM 517 OG SER A 35 -9.033 -9.391 -3.153 1.00 0.00 O ATOM 0 H SER A 35 -10.286 -7.836 -4.854 1.00 0.00 H new ATOM 0 HA SER A 35 -9.206 -6.894 -2.352 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.026 -8.404 -4.656 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.353 -8.202 -3.051 1.00 0.00 H new ATOM 0 HG SER A 35 -8.471 -9.945 -2.572 1.00 0.00 H new ATOM 523 N CYS A 36 -8.656 -5.221 -5.215 1.00 0.00 N ATOM 524 CA CYS A 36 -8.241 -3.908 -5.613 1.00 0.00 C ATOM 525 C CYS A 36 -9.057 -2.973 -4.783 1.00 0.00 C ATOM 526 O CYS A 36 -8.527 -2.094 -4.134 1.00 0.00 O ATOM 527 CB CYS A 36 -8.505 -3.571 -7.125 1.00 0.00 C ATOM 528 SG CYS A 36 -8.073 -1.898 -7.632 1.00 0.00 S ATOM 0 H CYS A 36 -9.135 -5.761 -5.936 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.163 -3.827 -5.475 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.944 -4.275 -7.740 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.562 -3.735 -7.337 1.00 0.00 H new ATOM 0 HG CYS A 36 -8.267 -1.768 -8.911 1.00 0.00 H new ATOM 534 N GLN A 37 -10.391 -3.270 -4.784 1.00 0.00 N ATOM 535 CA GLN A 37 -11.439 -2.557 -4.050 1.00 0.00 C ATOM 536 C GLN A 37 -11.054 -2.318 -2.728 1.00 0.00 C ATOM 537 O GLN A 37 -11.104 -1.218 -2.282 1.00 0.00 O ATOM 538 CB GLN A 37 -12.798 -3.259 -4.043 1.00 0.00 C ATOM 539 CG GLN A 37 -13.471 -3.481 -5.437 1.00 0.00 C ATOM 540 CD GLN A 37 -14.859 -4.097 -5.305 1.00 0.00 C ATOM 541 OE1 GLN A 37 -15.144 -4.830 -4.363 1.00 0.00 O ATOM 542 NE2 GLN A 37 -15.719 -3.793 -6.221 1.00 0.00 N ATOM 0 H GLN A 37 -10.763 -4.050 -5.326 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.563 -1.620 -4.593 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.679 -4.230 -3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.480 -2.678 -3.423 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.545 -2.528 -5.961 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.841 -4.131 -6.045 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -15.449 -3.181 -6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.667 -4.165 -6.174 1.00 0.00 H new ATOM 551 N LYS A 38 -10.663 -3.306 -2.116 1.00 0.00 N ATOM 552 CA LYS A 38 -10.313 -3.238 -0.838 1.00 0.00 C ATOM 553 C LYS A 38 -9.137 -2.291 -0.537 1.00 0.00 C ATOM 554 O LYS A 38 -9.203 -1.509 0.359 1.00 0.00 O ATOM 555 CB LYS A 38 -9.978 -4.539 -0.402 1.00 0.00 C ATOM 556 CG LYS A 38 -9.193 -4.437 0.805 1.00 0.00 C ATOM 557 CD LYS A 38 -9.477 -5.378 1.765 1.00 0.00 C ATOM 558 CE LYS A 38 -9.132 -6.730 1.305 1.00 0.00 C ATOM 559 NZ LYS A 38 -9.289 -7.694 2.374 1.00 0.00 N ATOM 0 H LYS A 38 -10.577 -4.235 -2.528 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.169 -2.823 -0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.882 -5.119 -0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.416 -5.063 -1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.138 -4.516 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.342 -3.446 1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.924 -5.149 2.676 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.537 -5.336 2.016 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.768 -7.006 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.103 -6.745 0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.443 -8.639 1.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.430 -7.705 2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.106 -7.431 2.961 1.00 0.00 H new ATOM 573 N MET A 39 -8.078 -2.456 -1.257 1.00 0.00 N ATOM 574 CA MET A 39 -6.831 -1.711 -1.021 1.00 0.00 C ATOM 575 C MET A 39 -7.073 -0.282 -1.181 1.00 0.00 C ATOM 576 O MET A 39 -6.622 0.559 -0.431 1.00 0.00 O ATOM 577 CB MET A 39 -5.818 -2.070 -2.049 1.00 0.00 C ATOM 578 CG MET A 39 -4.890 -3.108 -1.701 1.00 0.00 C ATOM 579 SD MET A 39 -3.432 -2.615 -0.783 1.00 0.00 S ATOM 580 CE MET A 39 -4.150 -1.772 0.569 1.00 0.00 C ATOM 0 H MET A 39 -8.027 -3.110 -2.038 1.00 0.00 H new ATOM 0 HA MET A 39 -6.484 -1.954 -0.017 1.00 0.00 H new ATOM 0 HB2 MET A 39 -6.344 -2.373 -2.955 1.00 0.00 H new ATOM 0 HB3 MET A 39 -5.250 -1.173 -2.295 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.423 -3.857 -1.115 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.564 -3.594 -2.620 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.363 -1.346 1.191 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.793 -0.973 0.200 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.742 -2.470 1.160 1.00 0.00 H new ATOM 590 N LYS A 40 -7.692 -0.067 -2.232 1.00 0.00 N ATOM 591 CA LYS A 40 -8.250 1.140 -2.683 1.00 0.00 C ATOM 592 C LYS A 40 -9.019 1.738 -1.539 1.00 0.00 C ATOM 593 O LYS A 40 -8.710 2.758 -1.091 1.00 0.00 O ATOM 594 CB LYS A 40 -9.222 0.694 -3.648 1.00 0.00 C ATOM 595 CG LYS A 40 -9.201 1.235 -4.973 1.00 0.00 C ATOM 596 CD LYS A 40 -10.167 0.428 -5.778 1.00 0.00 C ATOM 597 CE LYS A 40 -10.063 0.707 -7.198 1.00 0.00 C ATOM 598 NZ LYS A 40 -10.699 1.982 -7.520 1.00 0.00 N ATOM 0 H LYS A 40 -7.853 -0.820 -2.901 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.520 1.854 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.122 -0.388 -3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.210 0.890 -3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.486 2.287 -4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.199 1.178 -5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.986 -0.633 -5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.182 0.638 -5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.014 0.733 -7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.534 -0.094 -7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.541 1.812 -8.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.980 2.461 -6.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.029 2.582 -8.042 1.00 0.00 H new ATOM 612 N ARG A 41 -9.942 0.937 -1.015 1.00 0.00 N ATOM 613 CA ARG A 41 -10.823 1.211 0.130 1.00 0.00 C ATOM 614 C ARG A 41 -10.083 1.322 1.356 1.00 0.00 C ATOM 615 O ARG A 41 -10.625 1.633 2.343 1.00 0.00 O ATOM 616 CB ARG A 41 -11.764 0.127 0.305 1.00 0.00 C ATOM 617 CG ARG A 41 -12.997 0.264 -0.536 1.00 0.00 C ATOM 618 CD ARG A 41 -13.937 -0.831 -0.237 1.00 0.00 C ATOM 619 NE ARG A 41 -15.135 -0.781 -1.090 1.00 0.00 N ATOM 620 CZ ARG A 41 -15.946 -1.814 -1.365 1.00 0.00 C ATOM 621 NH1 ARG A 41 -15.659 -3.035 -0.934 1.00 0.00 N ATOM 622 NH2 ARG A 41 -17.015 -1.628 -2.112 1.00 0.00 N ATOM 0 H ARG A 41 -10.111 0.009 -1.404 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.331 2.151 -0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.271 -0.814 0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.054 0.074 1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.473 1.225 -0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.730 0.246 -1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.434 -1.788 -0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.235 -0.776 0.810 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.370 0.119 -1.509 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.814 -3.197 -0.387 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.284 -3.812 -1.150 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.225 -0.700 -2.480 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.633 -2.412 -2.322 1.00 0.00 H new ATOM 636 N VAL A 42 -8.870 0.922 1.316 1.00 0.00 N ATOM 637 CA VAL A 42 -8.006 1.053 2.371 1.00 0.00 C ATOM 638 C VAL A 42 -7.338 2.342 2.342 1.00 0.00 C ATOM 639 O VAL A 42 -7.294 3.002 3.346 1.00 0.00 O ATOM 640 CB VAL A 42 -7.128 -0.146 2.634 1.00 0.00 C ATOM 641 CG1 VAL A 42 -5.737 0.256 3.123 1.00 0.00 C ATOM 642 CG2 VAL A 42 -7.832 -0.837 3.675 1.00 0.00 C ATOM 0 H VAL A 42 -8.455 0.476 0.498 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.611 1.057 3.278 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.960 -0.740 1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.140 -0.639 3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.250 0.874 2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.827 0.821 4.051 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.282 -1.736 3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.925 -0.187 4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.825 -1.114 3.321 1.00 0.00 H new ATOM 652 N VAL A 43 -6.846 2.712 1.185 1.00 0.00 N ATOM 653 CA VAL A 43 -6.439 4.009 0.906 1.00 0.00 C ATOM 654 C VAL A 43 -7.561 4.921 1.254 1.00 0.00 C ATOM 655 O VAL A 43 -7.427 5.804 2.059 1.00 0.00 O ATOM 656 CB VAL A 43 -6.092 4.139 -0.593 1.00 0.00 C ATOM 657 CG1 VAL A 43 -5.914 5.557 -0.916 1.00 0.00 C ATOM 658 CG2 VAL A 43 -4.847 3.262 -1.049 1.00 0.00 C ATOM 0 H VAL A 43 -6.726 2.070 0.402 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.551 4.265 1.484 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.927 3.731 -1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.668 5.661 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.836 6.097 -0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.105 5.969 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.669 3.409 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.963 3.565 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.054 2.209 -0.858 1.00 0.00 H new ATOM 668 N GLN A 44 -8.670 4.586 0.759 1.00 0.00 N ATOM 669 CA GLN A 44 -9.819 5.354 0.869 1.00 0.00 C ATOM 670 C GLN A 44 -10.428 5.283 2.288 1.00 0.00 C ATOM 671 O GLN A 44 -11.020 6.284 2.773 1.00 0.00 O ATOM 672 CB GLN A 44 -10.764 4.933 -0.233 1.00 0.00 C ATOM 673 CG GLN A 44 -10.129 5.165 -1.608 1.00 0.00 C ATOM 674 CD GLN A 44 -9.991 6.615 -1.988 1.00 0.00 C ATOM 675 OE1 GLN A 44 -10.771 7.463 -1.573 1.00 0.00 O ATOM 676 NE2 GLN A 44 -8.996 6.915 -2.777 1.00 0.00 N ATOM 0 H GLN A 44 -8.807 3.720 0.237 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.590 6.411 0.737 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.019 3.880 -0.118 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.694 5.496 -0.157 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.142 4.702 -1.623 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.730 4.659 -2.363 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.365 6.183 -3.104 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.849 7.882 -3.067 1.00 0.00 H new ATOM 685 N HIS A 45 -10.196 4.132 3.002 1.00 0.00 N ATOM 686 CA HIS A 45 -10.737 3.953 4.397 1.00 0.00 C ATOM 687 C HIS A 45 -10.056 4.956 5.176 1.00 0.00 C ATOM 688 O HIS A 45 -10.632 5.864 5.674 1.00 0.00 O ATOM 689 CB HIS A 45 -10.397 2.558 5.008 1.00 0.00 C ATOM 690 CG HIS A 45 -10.993 2.273 6.363 1.00 0.00 C ATOM 691 ND1 HIS A 45 -10.258 2.303 7.538 1.00 0.00 N ATOM 692 CD2 HIS A 45 -12.238 1.898 6.720 1.00 0.00 C ATOM 693 CE1 HIS A 45 -11.034 1.957 8.543 1.00 0.00 C ATOM 694 NE2 HIS A 45 -12.231 1.709 8.076 1.00 0.00 N ATOM 0 H HIS A 45 -9.658 3.340 2.651 1.00 0.00 H new ATOM 0 HA HIS A 45 -11.824 4.035 4.390 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.733 1.787 4.315 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -9.313 2.469 5.083 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -13.083 1.771 6.060 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.734 1.889 9.578 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -13.034 1.420 8.635 1.00 0.00 H new ATOM 703 N THR A 46 -8.797 4.813 5.085 1.00 0.00 N ATOM 704 CA THR A 46 -7.799 5.639 5.617 1.00 0.00 C ATOM 705 C THR A 46 -8.116 7.125 5.477 1.00 0.00 C ATOM 706 O THR A 46 -8.239 7.781 6.468 1.00 0.00 O ATOM 707 CB THR A 46 -6.487 5.243 4.875 1.00 0.00 C ATOM 708 OG1 THR A 46 -5.995 4.017 5.343 1.00 0.00 O ATOM 709 CG2 THR A 46 -5.430 6.232 4.857 1.00 0.00 C ATOM 0 H THR A 46 -8.397 4.024 4.578 1.00 0.00 H new ATOM 0 HA THR A 46 -7.710 5.491 6.693 1.00 0.00 H new ATOM 0 HB THR A 46 -6.799 5.161 3.834 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.181 3.317 4.683 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.572 5.838 4.312 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.787 7.137 4.366 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.134 6.466 5.879 1.00 0.00 H new ATOM 717 N LYS A 47 -8.387 7.619 4.306 1.00 0.00 N ATOM 718 CA LYS A 47 -8.412 9.053 4.127 1.00 0.00 C ATOM 719 C LYS A 47 -9.653 9.648 4.733 1.00 0.00 C ATOM 720 O LYS A 47 -9.590 10.723 5.347 1.00 0.00 O ATOM 721 CB LYS A 47 -8.424 9.374 2.699 1.00 0.00 C ATOM 722 CG LYS A 47 -7.405 8.610 1.840 1.00 0.00 C ATOM 723 CD LYS A 47 -7.412 9.070 0.425 1.00 0.00 C ATOM 724 CE LYS A 47 -6.476 10.213 0.315 1.00 0.00 C ATOM 725 NZ LYS A 47 -6.509 10.852 -1.020 1.00 0.00 N ATOM 0 H LYS A 47 -8.591 7.070 3.471 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.527 9.462 4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.422 9.177 2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.242 10.442 2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.407 8.741 2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.628 7.544 1.876 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.108 8.262 -0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.417 9.369 0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.724 10.955 1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.463 9.869 0.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.836 11.645 -1.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.246 10.155 -1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.468 11.206 -1.212 1.00 0.00 H new ATOM 739 N GLY A 48 -10.779 8.966 4.571 1.00 0.00 N ATOM 740 CA GLY A 48 -11.974 9.482 5.169 1.00 0.00 C ATOM 741 C GLY A 48 -12.021 9.147 6.623 1.00 0.00 C ATOM 742 O GLY A 48 -12.826 9.699 7.379 1.00 0.00 O ATOM 0 H GLY A 48 -10.878 8.093 4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.015 10.563 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.847 9.067 4.666 1.00 0.00 H new ATOM 746 N CYS A 49 -11.166 8.247 7.015 1.00 0.00 N ATOM 747 CA CYS A 49 -11.086 7.829 8.392 1.00 0.00 C ATOM 748 C CYS A 49 -10.004 8.560 9.034 1.00 0.00 C ATOM 749 O CYS A 49 -8.980 7.960 9.210 1.00 0.00 O ATOM 750 CB CYS A 49 -10.810 6.311 8.564 1.00 0.00 C ATOM 751 SG CYS A 49 -12.215 5.243 8.189 1.00 0.00 S ATOM 0 H CYS A 49 -10.505 7.781 6.394 1.00 0.00 H new ATOM 0 HA CYS A 49 -12.056 8.037 8.844 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -9.976 6.032 7.920 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.495 6.127 9.591 1.00 0.00 H new ATOM 0 HG CYS A 49 -12.233 4.981 6.916 1.00 0.00 H new ATOM 757 N LYS A 50 -10.145 9.834 9.422 1.00 0.00 N ATOM 758 CA LYS A 50 -8.932 10.483 9.872 1.00 0.00 C ATOM 759 C LYS A 50 -8.417 10.032 11.198 1.00 0.00 C ATOM 760 O LYS A 50 -7.337 10.456 11.661 1.00 0.00 O ATOM 761 CB LYS A 50 -8.764 11.951 9.634 1.00 0.00 C ATOM 762 CG LYS A 50 -7.272 12.307 9.372 1.00 0.00 C ATOM 763 CD LYS A 50 -7.058 12.800 7.937 1.00 0.00 C ATOM 764 CE LYS A 50 -7.891 14.023 7.583 1.00 0.00 C ATOM 765 NZ LYS A 50 -7.365 15.271 8.185 1.00 0.00 N ATOM 0 H LYS A 50 -11.004 10.384 9.433 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.253 10.072 9.125 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.370 12.256 8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.128 12.507 10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.951 13.077 10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.650 11.431 9.554 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.003 13.036 7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.299 11.993 7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.923 14.134 6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.917 13.868 7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.971 16.071 7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.359 15.181 9.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.396 15.438 7.846 1.00 0.00 H new ATOM 779 N ARG A 51 -9.088 9.078 11.761 1.00 0.00 N ATOM 780 CA ARG A 51 -8.539 8.428 12.862 1.00 0.00 C ATOM 781 C ARG A 51 -7.249 7.653 12.423 1.00 0.00 C ATOM 782 O ARG A 51 -6.535 7.133 13.257 1.00 0.00 O ATOM 783 CB ARG A 51 -9.534 7.519 13.591 1.00 0.00 C ATOM 784 CG ARG A 51 -10.520 8.244 14.500 1.00 0.00 C ATOM 785 CD ARG A 51 -9.840 8.776 15.763 1.00 0.00 C ATOM 786 NE ARG A 51 -10.768 9.492 16.643 1.00 0.00 N ATOM 787 CZ ARG A 51 -10.421 10.083 17.803 1.00 0.00 C ATOM 788 NH1 ARG A 51 -9.188 9.940 18.291 1.00 0.00 N ATOM 789 NH2 ARG A 51 -11.311 10.789 18.483 1.00 0.00 N ATOM 0 H ARG A 51 -10.007 8.749 11.465 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.268 9.190 13.593 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.096 6.952 12.849 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.975 6.798 14.188 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.976 9.071 13.956 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.325 7.564 14.779 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.395 7.944 16.310 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.026 9.443 15.480 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.746 9.547 16.357 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.501 9.381 17.785 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.932 10.390 19.170 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.263 10.887 18.129 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.045 11.235 19.361 1.00 0.00 H new ATOM 803 N LYS A 52 -6.987 7.605 11.081 1.00 0.00 N ATOM 804 CA LYS A 52 -5.811 6.977 10.495 1.00 0.00 C ATOM 805 C LYS A 52 -4.547 7.335 11.184 1.00 0.00 C ATOM 806 O LYS A 52 -3.965 6.500 11.894 1.00 0.00 O ATOM 807 CB LYS A 52 -5.640 7.454 9.051 1.00 0.00 C ATOM 808 CG LYS A 52 -6.328 8.683 8.709 1.00 0.00 C ATOM 809 CD LYS A 52 -5.659 9.487 7.674 1.00 0.00 C ATOM 810 CE LYS A 52 -5.616 8.914 6.362 1.00 0.00 C ATOM 811 NZ LYS A 52 -5.296 9.932 5.387 1.00 0.00 N ATOM 0 H LYS A 52 -7.611 8.014 10.385 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.981 5.904 10.579 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.576 7.589 8.856 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.989 6.666 8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.334 8.439 8.368 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.434 9.288 9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.162 10.452 7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.636 9.681 7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.871 8.119 6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.578 8.460 6.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.695 9.667 4.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.699 10.842 5.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.263 10.021 5.304 1.00 0.00 H new ATOM 825 N THR A 53 -4.110 8.544 11.022 1.00 0.00 N ATOM 826 CA THR A 53 -3.023 8.975 11.740 1.00 0.00 C ATOM 827 C THR A 53 -3.296 9.647 13.067 1.00 0.00 C ATOM 828 O THR A 53 -2.465 9.624 13.988 1.00 0.00 O ATOM 829 CB THR A 53 -1.703 9.256 10.957 1.00 0.00 C ATOM 830 OG1 THR A 53 -1.919 10.256 9.934 1.00 0.00 O ATOM 831 CG2 THR A 53 -1.224 7.925 10.284 1.00 0.00 C ATOM 0 H THR A 53 -4.514 9.232 10.386 1.00 0.00 H new ATOM 0 HA THR A 53 -2.646 8.051 12.179 1.00 0.00 H new ATOM 0 HB THR A 53 -0.949 9.626 11.651 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.080 10.420 9.455 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.301 8.107 9.733 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.045 7.173 11.052 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.992 7.567 9.598 1.00 0.00 H new ATOM 839 N ASN A 54 -4.508 10.210 13.175 1.00 0.00 N ATOM 840 CA ASN A 54 -4.946 10.900 14.367 1.00 0.00 C ATOM 841 C ASN A 54 -5.081 9.946 15.539 1.00 0.00 C ATOM 842 O ASN A 54 -4.584 10.204 16.641 1.00 0.00 O ATOM 843 CB ASN A 54 -6.288 11.594 14.107 1.00 0.00 C ATOM 844 CG ASN A 54 -6.979 12.159 15.345 1.00 0.00 C ATOM 845 OD1 ASN A 54 -7.656 11.433 16.073 1.00 0.00 O ATOM 846 ND2 ASN A 54 -6.949 13.436 15.505 1.00 0.00 N ATOM 0 H ASN A 54 -5.203 10.192 12.429 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.192 11.645 14.620 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.127 12.406 13.398 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.960 10.882 13.629 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.495 13.870 16.250 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.379 14.014 14.887 1.00 0.00 H new ATOM 853 N GLY A 55 -5.713 8.838 15.288 1.00 0.00 N ATOM 854 CA GLY A 55 -6.018 7.925 16.339 1.00 0.00 C ATOM 855 C GLY A 55 -5.261 6.647 16.271 1.00 0.00 C ATOM 856 O GLY A 55 -5.432 5.784 17.135 1.00 0.00 O ATOM 0 H GLY A 55 -6.026 8.548 14.362 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.812 8.406 17.295 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.085 7.705 16.316 1.00 0.00 H new ATOM 860 N GLY A 56 -4.429 6.495 15.271 1.00 0.00 N ATOM 861 CA GLY A 56 -3.781 5.278 15.103 1.00 0.00 C ATOM 862 C GLY A 56 -4.700 4.271 14.616 1.00 0.00 C ATOM 863 O GLY A 56 -4.919 3.266 15.285 1.00 0.00 O ATOM 0 H GLY A 56 -4.204 7.211 14.580 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.956 5.394 14.401 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.350 4.956 16.051 1.00 0.00 H new ATOM 867 N CYS A 57 -5.295 4.508 13.485 1.00 0.00 N ATOM 868 CA CYS A 57 -6.063 3.443 12.948 1.00 0.00 C ATOM 869 C CYS A 57 -5.156 2.891 11.924 1.00 0.00 C ATOM 870 O CYS A 57 -5.194 3.363 10.763 1.00 0.00 O ATOM 871 CB CYS A 57 -7.431 3.897 12.337 1.00 0.00 C ATOM 872 SG CYS A 57 -8.458 2.571 11.646 1.00 0.00 S ATOM 0 H CYS A 57 -5.266 5.375 12.949 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.367 2.724 13.709 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.002 4.409 13.111 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.234 4.626 11.551 1.00 0.00 H new ATOM 0 HG CYS A 57 -9.560 3.076 11.176 1.00 0.00 H new ATOM 878 N PRO A 58 -4.188 1.969 12.277 1.00 0.00 N ATOM 879 CA PRO A 58 -3.196 1.879 11.255 1.00 0.00 C ATOM 880 C PRO A 58 -3.486 0.877 10.140 1.00 0.00 C ATOM 881 O PRO A 58 -2.640 0.012 9.839 1.00 0.00 O ATOM 882 CB PRO A 58 -2.301 0.947 12.132 1.00 0.00 C ATOM 883 CG PRO A 58 -3.358 -0.001 12.629 1.00 0.00 C ATOM 884 CD PRO A 58 -4.323 0.877 13.190 1.00 0.00 C ATOM 0 HA PRO A 58 -2.943 2.842 10.812 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.524 0.445 11.555 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.802 1.482 12.940 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.777 -0.601 11.821 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.963 -0.696 13.370 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.327 0.453 13.194 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.091 1.156 14.218 1.00 0.00 H new ATOM 892 N ILE A 59 -4.228 1.305 9.279 1.00 0.00 N ATOM 893 CA ILE A 59 -4.367 0.787 8.072 1.00 0.00 C ATOM 894 C ILE A 59 -3.608 1.634 7.185 1.00 0.00 C ATOM 895 O ILE A 59 -2.679 1.236 6.642 1.00 0.00 O ATOM 896 CB ILE A 59 -5.833 0.451 7.910 1.00 0.00 C ATOM 897 CG1 ILE A 59 -6.305 -0.252 6.707 1.00 0.00 C ATOM 898 CG2 ILE A 59 -6.850 1.246 8.680 1.00 0.00 C ATOM 899 CD1 ILE A 59 -7.782 -0.663 6.833 1.00 0.00 C ATOM 0 H ILE A 59 -4.819 2.123 9.428 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.935 -0.183 7.826 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.742 -0.428 8.548 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.179 0.391 5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.693 -1.138 6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.850 0.878 8.450 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.661 1.141 9.748 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.777 2.297 8.401 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.095 -1.180 5.925 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.903 -1.327 7.689 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.396 0.226 6.974 1.00 0.00 H new ATOM 911 N CYS A 60 -4.021 2.935 7.271 1.00 0.00 N ATOM 912 CA CYS A 60 -3.337 4.198 6.820 1.00 0.00 C ATOM 913 C CYS A 60 -1.992 4.260 7.279 1.00 0.00 C ATOM 914 O CYS A 60 -1.210 4.843 6.700 1.00 0.00 O ATOM 915 CB CYS A 60 -3.863 5.431 7.559 1.00 0.00 C ATOM 916 SG CYS A 60 -3.180 7.008 6.946 1.00 0.00 S ATOM 0 H CYS A 60 -4.923 3.151 7.696 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.481 4.188 5.740 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.949 5.459 7.472 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.631 5.333 8.619 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.902 6.898 5.681 1.00 0.00 H new ATOM 922 N LYS A 61 -1.789 3.809 8.415 1.00 0.00 N ATOM 923 CA LYS A 61 -0.567 3.974 9.004 1.00 0.00 C ATOM 924 C LYS A 61 0.329 2.998 8.531 1.00 0.00 C ATOM 925 O LYS A 61 1.436 3.330 8.172 1.00 0.00 O ATOM 926 CB LYS A 61 -0.651 3.942 10.408 1.00 0.00 C ATOM 927 CG LYS A 61 0.565 4.451 11.024 1.00 0.00 C ATOM 928 CD LYS A 61 0.537 4.075 12.443 1.00 0.00 C ATOM 929 CE LYS A 61 -0.733 4.501 13.212 1.00 0.00 C ATOM 930 NZ LYS A 61 -0.512 4.393 14.679 1.00 0.00 N ATOM 0 H LYS A 61 -2.477 3.305 8.974 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.193 4.961 8.732 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.504 4.536 10.737 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.828 2.919 10.740 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.445 4.034 10.535 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.624 5.534 10.916 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.641 2.993 12.518 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.405 4.514 12.936 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.996 5.526 12.952 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.573 3.872 12.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.379 4.046 15.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.267 3.729 14.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.269 5.328 15.063 1.00 0.00 H new ATOM 944 N GLN A 62 -0.108 1.767 8.479 1.00 0.00 N ATOM 945 CA GLN A 62 0.773 0.858 7.915 1.00 0.00 C ATOM 946 C GLN A 62 0.781 0.954 6.380 1.00 0.00 C ATOM 947 O GLN A 62 1.657 0.458 5.739 1.00 0.00 O ATOM 948 CB GLN A 62 0.652 -0.477 8.552 1.00 0.00 C ATOM 949 CG GLN A 62 0.819 -0.313 10.100 1.00 0.00 C ATOM 950 CD GLN A 62 0.610 -1.544 11.007 1.00 0.00 C ATOM 951 OE1 GLN A 62 0.144 -1.379 12.128 1.00 0.00 O ATOM 952 NE2 GLN A 62 1.017 -2.730 10.649 1.00 0.00 N ATOM 0 H GLN A 62 -1.009 1.414 8.803 1.00 0.00 H new ATOM 0 HA GLN A 62 1.805 1.120 8.149 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.317 -0.919 8.321 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.412 -1.153 8.160 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.824 0.066 10.285 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.122 0.459 10.427 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.406 -2.876 9.718 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.946 -3.512 11.300 1.00 0.00 H new ATOM 961 N LEU A 63 -0.248 1.594 5.861 1.00 0.00 N ATOM 962 CA LEU A 63 -0.400 2.080 4.486 1.00 0.00 C ATOM 963 C LEU A 63 0.520 3.268 4.193 1.00 0.00 C ATOM 964 O LEU A 63 1.122 3.273 3.236 1.00 0.00 O ATOM 965 CB LEU A 63 -1.836 2.458 4.272 1.00 0.00 C ATOM 966 CG LEU A 63 -2.185 3.392 3.199 1.00 0.00 C ATOM 967 CD1 LEU A 63 -1.635 2.939 1.931 1.00 0.00 C ATOM 968 CD2 LEU A 63 -3.595 3.366 3.067 1.00 0.00 C ATOM 0 H LEU A 63 -1.069 1.809 6.427 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.112 1.286 3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.393 1.538 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.205 2.882 5.206 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.797 4.382 3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.904 3.645 1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.549 2.877 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.039 1.956 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.899 4.051 2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.918 2.356 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.054 3.672 4.007 1.00 0.00 H new ATOM 980 N ILE A 64 0.508 4.304 4.999 1.00 0.00 N ATOM 981 CA ILE A 64 1.499 5.412 4.952 1.00 0.00 C ATOM 982 C ILE A 64 2.818 4.822 5.029 1.00 0.00 C ATOM 983 O ILE A 64 3.664 5.212 4.340 1.00 0.00 O ATOM 984 CB ILE A 64 1.346 6.418 6.160 1.00 0.00 C ATOM 985 CG1 ILE A 64 0.237 7.438 6.002 1.00 0.00 C ATOM 986 CG2 ILE A 64 2.634 6.967 6.785 1.00 0.00 C ATOM 987 CD1 ILE A 64 0.268 8.581 6.992 1.00 0.00 C ATOM 0 H ILE A 64 -0.195 4.425 5.728 1.00 0.00 H new ATOM 0 HA ILE A 64 1.338 5.971 4.030 1.00 0.00 H new ATOM 0 HB ILE A 64 0.997 5.747 6.945 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.285 7.850 4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.721 6.926 6.092 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.382 7.644 7.601 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.233 6.141 7.170 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.204 7.507 6.029 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.566 9.255 6.795 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.185 8.187 8.005 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.207 9.125 6.890 1.00 0.00 H new ATOM 999 N ALA A 65 2.969 3.907 5.924 1.00 0.00 N ATOM 1000 CA ALA A 65 4.142 3.165 6.025 1.00 0.00 C ATOM 1001 C ALA A 65 4.422 2.562 4.672 1.00 0.00 C ATOM 1002 O ALA A 65 5.371 2.887 4.028 1.00 0.00 O ATOM 1003 CB ALA A 65 3.930 2.080 7.014 1.00 0.00 C ATOM 0 H ALA A 65 2.257 3.662 6.612 1.00 0.00 H new ATOM 0 HA ALA A 65 4.977 3.790 6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.841 1.488 7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.680 2.514 7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.113 1.440 6.682 1.00 0.00 H new ATOM 1009 N LEU A 66 3.508 1.786 4.246 1.00 0.00 N ATOM 1010 CA LEU A 66 3.522 1.133 3.002 1.00 0.00 C ATOM 1011 C LEU A 66 3.841 2.074 1.796 1.00 0.00 C ATOM 1012 O LEU A 66 4.837 1.887 1.093 1.00 0.00 O ATOM 1013 CB LEU A 66 2.197 0.396 2.877 1.00 0.00 C ATOM 1014 CG LEU A 66 1.759 0.004 1.494 1.00 0.00 C ATOM 1015 CD1 LEU A 66 2.570 -1.084 1.045 1.00 0.00 C ATOM 1016 CD2 LEU A 66 0.298 -0.364 1.389 1.00 0.00 C ATOM 0 H LEU A 66 2.674 1.576 4.794 1.00 0.00 H new ATOM 0 HA LEU A 66 4.348 0.422 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.255 -0.508 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.419 1.023 3.313 1.00 0.00 H new ATOM 0 HG LEU A 66 1.887 0.882 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.262 -1.378 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.615 -0.776 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.452 -1.929 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.064 -0.634 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.088 -1.211 2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.314 0.487 1.689 1.00 0.00 H new ATOM 1028 N ALA A 67 3.013 3.052 1.612 1.00 0.00 N ATOM 1029 CA ALA A 67 3.086 4.029 0.622 1.00 0.00 C ATOM 1030 C ALA A 67 4.344 4.913 0.744 1.00 0.00 C ATOM 1031 O ALA A 67 4.981 5.214 -0.263 1.00 0.00 O ATOM 1032 CB ALA A 67 1.806 4.840 0.659 1.00 0.00 C ATOM 0 H ALA A 67 2.202 3.181 2.217 1.00 0.00 H new ATOM 0 HA ALA A 67 3.183 3.544 -0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.842 5.612 -0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.955 4.185 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.700 5.307 1.638 1.00 0.00 H new ATOM 1038 N ALA A 68 4.677 5.340 1.949 1.00 0.00 N ATOM 1039 CA ALA A 68 5.873 6.142 2.193 1.00 0.00 C ATOM 1040 C ALA A 68 7.143 5.377 2.045 1.00 0.00 C ATOM 1041 O ALA A 68 8.076 5.879 1.506 1.00 0.00 O ATOM 1042 CB ALA A 68 5.874 6.857 3.539 1.00 0.00 C ATOM 0 H ALA A 68 4.130 5.144 2.787 1.00 0.00 H new ATOM 0 HA ALA A 68 5.830 6.897 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.794 7.431 3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.018 7.530 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.810 6.122 4.341 1.00 0.00 H new ATOM 1048 N TYR A 69 7.203 4.173 2.527 1.00 0.00 N ATOM 1049 CA TYR A 69 8.405 3.398 2.429 1.00 0.00 C ATOM 1050 C TYR A 69 8.572 2.974 0.998 1.00 0.00 C ATOM 1051 O TYR A 69 9.679 2.695 0.530 1.00 0.00 O ATOM 1052 CB TYR A 69 8.311 2.232 3.377 1.00 0.00 C ATOM 1053 CG TYR A 69 8.078 2.625 4.803 1.00 0.00 C ATOM 1054 CD1 TYR A 69 8.302 3.920 5.259 1.00 0.00 C ATOM 1055 CD2 TYR A 69 7.557 1.720 5.665 1.00 0.00 C ATOM 1056 CE1 TYR A 69 7.993 4.288 6.524 1.00 0.00 C ATOM 1057 CE2 TYR A 69 7.263 2.068 6.932 1.00 0.00 C ATOM 1058 CZ TYR A 69 7.474 3.365 7.362 1.00 0.00 C ATOM 1059 OH TYR A 69 7.132 3.727 8.637 1.00 0.00 O ATOM 0 H TYR A 69 6.429 3.702 2.995 1.00 0.00 H new ATOM 0 HA TYR A 69 9.286 3.974 2.713 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.501 1.578 3.054 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.232 1.652 3.316 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.732 4.649 4.588 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.375 0.709 5.333 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.159 5.302 6.857 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.862 1.333 7.614 1.00 0.00 H new ATOM 0 HH TYR A 69 6.772 2.949 9.112 1.00 0.00 H new ATOM 1069 N HIS A 70 7.441 2.905 0.332 1.00 0.00 N ATOM 1070 CA HIS A 70 7.397 2.779 -1.136 1.00 0.00 C ATOM 1071 C HIS A 70 8.082 3.993 -1.738 1.00 0.00 C ATOM 1072 O HIS A 70 9.058 3.880 -2.447 1.00 0.00 O ATOM 1073 CB HIS A 70 5.924 2.784 -1.690 1.00 0.00 C ATOM 1074 CG HIS A 70 5.774 2.839 -3.189 1.00 0.00 C ATOM 1075 ND1 HIS A 70 5.019 3.820 -3.805 1.00 0.00 N ATOM 1076 CD2 HIS A 70 6.225 2.042 -4.180 1.00 0.00 C ATOM 1077 CE1 HIS A 70 5.009 3.621 -5.096 1.00 0.00 C ATOM 1078 NE2 HIS A 70 5.730 2.552 -5.350 1.00 0.00 N ATOM 0 H HIS A 70 6.523 2.933 0.775 1.00 0.00 H new ATOM 0 HA HIS A 70 7.879 1.837 -1.398 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.420 1.888 -1.328 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.401 3.639 -1.262 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.854 1.171 -4.071 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.497 4.229 -5.827 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.896 2.162 -6.278 1.00 0.00 H new ATOM 1087 N ALA A 71 7.512 5.138 -1.389 1.00 0.00 N ATOM 1088 CA ALA A 71 7.882 6.486 -1.806 1.00 0.00 C ATOM 1089 C ALA A 71 9.324 6.712 -1.670 1.00 0.00 C ATOM 1090 O ALA A 71 9.995 7.129 -2.598 1.00 0.00 O ATOM 1091 CB ALA A 71 7.212 7.400 -0.844 1.00 0.00 C ATOM 0 H ALA A 71 6.713 5.150 -0.755 1.00 0.00 H new ATOM 0 HA ALA A 71 7.599 6.643 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.448 8.433 -1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.133 7.252 -0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.563 7.186 0.166 1.00 0.00 H new ATOM 1097 N LYS A 72 9.769 6.364 -0.529 1.00 0.00 N ATOM 1098 CA LYS A 72 11.092 6.591 -0.067 1.00 0.00 C ATOM 1099 C LYS A 72 12.164 6.184 -1.097 1.00 0.00 C ATOM 1100 O LYS A 72 13.056 6.981 -1.396 1.00 0.00 O ATOM 1101 CB LYS A 72 11.277 5.954 1.298 1.00 0.00 C ATOM 1102 CG LYS A 72 11.022 6.905 2.444 1.00 0.00 C ATOM 1103 CD LYS A 72 10.235 6.218 3.521 1.00 0.00 C ATOM 1104 CE LYS A 72 9.892 7.149 4.686 1.00 0.00 C ATOM 1105 NZ LYS A 72 11.077 7.621 5.435 1.00 0.00 N ATOM 0 H LYS A 72 9.188 5.882 0.157 1.00 0.00 H new ATOM 0 HA LYS A 72 11.238 7.665 0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.604 5.101 1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.293 5.568 1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.969 7.262 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.478 7.779 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.314 5.821 3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.805 5.368 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.347 8.012 4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.223 6.629 5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.771 8.232 6.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.596 6.804 5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.698 8.159 4.798 1.00 0.00 H new ATOM 1119 N HIS A 73 12.069 4.986 -1.683 1.00 0.00 N ATOM 1120 CA HIS A 73 12.924 4.731 -2.849 1.00 0.00 C ATOM 1121 C HIS A 73 12.123 4.411 -4.133 1.00 0.00 C ATOM 1122 O HIS A 73 12.615 3.713 -5.030 1.00 0.00 O ATOM 1123 CB HIS A 73 14.130 3.751 -2.626 1.00 0.00 C ATOM 1124 CG HIS A 73 13.843 2.279 -2.474 1.00 0.00 C ATOM 1125 ND1 HIS A 73 13.231 1.523 -3.440 1.00 0.00 N ATOM 1126 CD2 HIS A 73 14.141 1.425 -1.486 1.00 0.00 C ATOM 1127 CE1 HIS A 73 13.161 0.280 -3.045 1.00 0.00 C ATOM 1128 NE2 HIS A 73 13.707 0.186 -1.864 1.00 0.00 N ATOM 0 H HIS A 73 11.454 4.224 -1.396 1.00 0.00 H new ATOM 0 HA HIS A 73 13.410 5.694 -3.004 1.00 0.00 H new ATOM 0 HB2 HIS A 73 14.814 3.870 -3.467 1.00 0.00 H new ATOM 0 HB3 HIS A 73 14.662 4.079 -1.733 1.00 0.00 H new ATOM 0 HD1 HIS A 73 12.883 1.877 -4.331 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.635 1.671 -0.558 1.00 0.00 H new ATOM 0 HE1 HIS A 73 12.724 -0.535 -3.603 1.00 0.00 H new ATOM 1137 N CYS A 74 10.907 4.941 -4.246 1.00 0.00 N ATOM 1138 CA CYS A 74 10.167 4.811 -5.493 1.00 0.00 C ATOM 1139 C CYS A 74 10.561 6.057 -6.252 1.00 0.00 C ATOM 1140 O CYS A 74 10.811 7.062 -5.606 1.00 0.00 O ATOM 1141 CB CYS A 74 8.562 4.750 -5.338 1.00 0.00 C ATOM 1142 SG CYS A 74 7.733 4.405 -6.911 1.00 0.00 S ATOM 0 H CYS A 74 10.425 5.452 -3.507 1.00 0.00 H new ATOM 0 HA CYS A 74 10.410 3.866 -5.979 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.298 3.979 -4.614 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.201 5.698 -4.940 1.00 0.00 H new ATOM 0 HG CYS A 74 6.838 3.479 -6.736 1.00 0.00 H new ATOM 1148 N GLN A 75 10.687 6.056 -7.548 1.00 0.00 N ATOM 1149 CA GLN A 75 11.022 7.309 -8.183 1.00 0.00 C ATOM 1150 C GLN A 75 9.829 7.687 -8.987 1.00 0.00 C ATOM 1151 O GLN A 75 9.699 7.303 -10.145 1.00 0.00 O ATOM 1152 CB GLN A 75 12.312 7.223 -9.035 1.00 0.00 C ATOM 1153 CG GLN A 75 13.512 6.783 -8.211 1.00 0.00 C ATOM 1154 CD GLN A 75 14.017 7.849 -7.229 1.00 0.00 C ATOM 1155 OE1 GLN A 75 14.904 8.616 -7.568 1.00 0.00 O ATOM 1156 NE2 GLN A 75 13.428 7.961 -6.041 1.00 0.00 N ATOM 0 H GLN A 75 10.571 5.251 -8.164 1.00 0.00 H new ATOM 0 HA GLN A 75 11.251 8.073 -7.440 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.159 6.521 -9.855 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.517 8.196 -9.482 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.247 5.885 -7.653 1.00 0.00 H new ATOM 0 HG3 GLN A 75 14.324 6.511 -8.886 1.00 0.00 H new ATOM 0 HE21 GLN A 75 12.688 7.311 -5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 75 13.716 8.697 -5.396 1.00 0.00 H new ATOM 1165 N GLU A 76 8.935 8.421 -8.382 1.00 0.00 N ATOM 1166 CA GLU A 76 7.652 8.610 -8.932 1.00 0.00 C ATOM 1167 C GLU A 76 7.042 9.822 -8.380 1.00 0.00 C ATOM 1168 O GLU A 76 7.017 10.019 -7.172 1.00 0.00 O ATOM 1169 CB GLU A 76 6.773 7.360 -8.716 1.00 0.00 C ATOM 1170 CG GLU A 76 5.276 7.576 -8.822 1.00 0.00 C ATOM 1171 CD GLU A 76 4.527 6.286 -8.692 1.00 0.00 C ATOM 1172 OE1 GLU A 76 4.474 5.722 -7.579 1.00 0.00 O ATOM 1173 OE2 GLU A 76 3.997 5.797 -9.715 1.00 0.00 O ATOM 0 H GLU A 76 9.091 8.898 -7.494 1.00 0.00 H new ATOM 0 HA GLU A 76 7.741 8.749 -10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.064 6.605 -9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.993 6.951 -7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.951 8.267 -8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.041 8.040 -9.780 1.00 0.00 H new ATOM 1180 N ASN A 77 6.609 10.657 -9.251 1.00 0.00 N ATOM 1181 CA ASN A 77 6.003 11.843 -8.848 1.00 0.00 C ATOM 1182 C ASN A 77 4.573 11.841 -9.374 1.00 0.00 C ATOM 1183 O ASN A 77 3.803 12.801 -9.236 1.00 0.00 O ATOM 1184 CB ASN A 77 6.874 13.004 -9.274 1.00 0.00 C ATOM 1185 CG ASN A 77 6.507 14.300 -8.567 1.00 0.00 C ATOM 1186 OD1 ASN A 77 6.006 14.288 -7.456 1.00 0.00 O ATOM 1187 ND2 ASN A 77 6.775 15.426 -9.193 1.00 0.00 N ATOM 0 H ASN A 77 6.671 10.525 -10.261 1.00 0.00 H new ATOM 0 HA ASN A 77 5.917 11.945 -7.766 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.918 12.765 -9.069 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.785 13.144 -10.351 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.563 16.319 -8.749 1.00 0.00 H new ATOM 0 HD22 ASN A 77 7.195 15.405 -10.122 1.00 0.00 H new ATOM 1194 N LYS A 78 4.237 10.697 -9.990 1.00 0.00 N ATOM 1195 CA LYS A 78 2.916 10.423 -10.472 1.00 0.00 C ATOM 1196 C LYS A 78 2.032 10.300 -9.310 1.00 0.00 C ATOM 1197 O LYS A 78 2.444 9.776 -8.281 1.00 0.00 O ATOM 1198 CB LYS A 78 2.859 9.184 -11.345 1.00 0.00 C ATOM 1199 CG LYS A 78 3.324 9.417 -12.767 1.00 0.00 C ATOM 1200 CD LYS A 78 4.837 9.551 -12.911 1.00 0.00 C ATOM 1201 CE LYS A 78 5.565 8.240 -12.625 1.00 0.00 C ATOM 1202 NZ LYS A 78 5.191 7.158 -13.561 1.00 0.00 N ATOM 0 H LYS A 78 4.899 9.940 -10.159 1.00 0.00 H new ATOM 0 HA LYS A 78 2.591 11.243 -11.112 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.474 8.405 -10.895 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.835 8.811 -11.364 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.982 8.591 -13.390 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.851 10.322 -13.149 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.075 9.883 -13.921 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.198 10.321 -12.229 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.641 8.408 -12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.346 7.923 -11.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.863 6.370 -13.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.231 6.824 -13.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.215 7.519 -14.536 1.00 0.00 H new ATOM 1216 N CYS A 79 0.840 10.749 -9.443 1.00 0.00 N ATOM 1217 CA CYS A 79 0.036 10.931 -8.295 1.00 0.00 C ATOM 1218 C CYS A 79 -1.095 9.924 -8.095 1.00 0.00 C ATOM 1219 O CYS A 79 -2.241 10.260 -8.397 1.00 0.00 O ATOM 1220 CB CYS A 79 -0.532 12.357 -8.301 1.00 0.00 C ATOM 1221 SG CYS A 79 0.700 13.654 -8.622 1.00 0.00 S ATOM 0 H CYS A 79 0.401 10.996 -10.330 1.00 0.00 H new ATOM 0 HA CYS A 79 0.703 10.757 -7.451 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.314 12.420 -9.058 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.004 12.551 -7.338 1.00 0.00 H new ATOM 0 HG CYS A 79 1.859 13.107 -8.838 1.00 0.00 H new ATOM 1227 N PRO A 80 -0.860 8.640 -7.676 1.00 0.00 N ATOM 1228 CA PRO A 80 -1.959 7.882 -7.268 1.00 0.00 C ATOM 1229 C PRO A 80 -2.034 7.587 -5.766 1.00 0.00 C ATOM 1230 O PRO A 80 -3.124 7.583 -5.182 1.00 0.00 O ATOM 1231 CB PRO A 80 -1.805 6.640 -8.120 1.00 0.00 C ATOM 1232 CG PRO A 80 -0.331 6.439 -8.308 1.00 0.00 C ATOM 1233 CD PRO A 80 0.320 7.730 -7.882 1.00 0.00 C ATOM 0 HA PRO A 80 -2.902 8.410 -7.408 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.256 5.776 -7.633 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.306 6.762 -9.080 1.00 0.00 H new ATOM 0 HG2 PRO A 80 0.029 5.603 -7.708 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -0.098 6.208 -9.347 1.00 0.00 H new ATOM 0 HD2 PRO A 80 0.902 7.608 -6.969 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.999 8.113 -8.644 1.00 0.00 H new ATOM 1241 N VAL A 81 -0.913 7.435 -5.130 1.00 0.00 N ATOM 1242 CA VAL A 81 -0.913 6.847 -3.839 1.00 0.00 C ATOM 1243 C VAL A 81 -0.754 7.824 -2.701 1.00 0.00 C ATOM 1244 O VAL A 81 0.264 8.727 -2.714 1.00 0.00 O ATOM 1245 CB VAL A 81 0.143 5.706 -3.736 1.00 0.00 C ATOM 1246 CG1 VAL A 81 0.134 4.993 -2.375 1.00 0.00 C ATOM 1247 CG2 VAL A 81 -0.101 4.719 -4.812 1.00 0.00 C ATOM 0 H VAL A 81 0.003 7.709 -5.485 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.912 6.426 -3.725 1.00 0.00 H new ATOM 0 HB VAL A 81 1.125 6.167 -3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.892 4.210 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.350 5.713 -1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.847 4.550 -2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.635 3.918 -4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.102 4.302 -4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.016 5.209 -5.782 1.00 0.00 H new ATOM 1257 N PRO A 82 -1.682 7.564 -1.612 1.00 0.00 N ATOM 1258 CA PRO A 82 -1.701 8.203 -0.312 1.00 0.00 C ATOM 1259 C PRO A 82 -0.369 8.001 0.203 1.00 0.00 C ATOM 1260 O PRO A 82 0.310 7.157 -0.279 1.00 0.00 O ATOM 1261 CB PRO A 82 -2.713 7.388 0.531 1.00 0.00 C ATOM 1262 CG PRO A 82 -2.635 6.109 -0.139 1.00 0.00 C ATOM 1263 CD PRO A 82 -2.653 6.494 -1.589 1.00 0.00 C ATOM 0 HA PRO A 82 -1.971 9.259 -0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.425 7.326 1.580 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.716 7.813 0.501 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.726 5.568 0.125 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.475 5.465 0.119 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.367 5.666 -2.237 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.639 6.827 -1.913 1.00 0.00 H new ATOM 1271 N PHE A 83 -0.114 8.556 1.259 1.00 0.00 N ATOM 1272 CA PHE A 83 1.158 9.072 1.550 1.00 0.00 C ATOM 1273 C PHE A 83 2.361 8.201 1.153 1.00 0.00 C ATOM 1274 O PHE A 83 2.972 7.474 1.874 1.00 0.00 O ATOM 1275 CB PHE A 83 1.159 9.499 2.970 1.00 0.00 C ATOM 1276 CG PHE A 83 -0.215 10.055 3.388 1.00 0.00 C ATOM 1277 CD1 PHE A 83 -1.240 9.171 3.763 1.00 0.00 C ATOM 1278 CD2 PHE A 83 -0.510 11.403 3.340 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -2.472 9.594 4.058 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -1.790 11.839 3.660 1.00 0.00 C ATOM 1281 CZ PHE A 83 -2.765 10.908 4.012 1.00 0.00 C ATOM 0 H PHE A 83 -0.796 8.688 2.006 1.00 0.00 H new ATOM 0 HA PHE A 83 1.322 9.929 0.897 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.420 8.653 3.606 1.00 0.00 H new ATOM 0 HB3 PHE A 83 1.924 10.261 3.122 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.025 8.114 3.815 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.250 12.115 3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.235 8.881 4.334 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.027 12.892 3.636 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.764 11.243 4.250 1.00 0.00 H new ATOM 1291 N CYS A 84 2.531 8.464 -0.069 1.00 0.00 N ATOM 1292 CA CYS A 84 3.360 8.225 -1.144 1.00 0.00 C ATOM 1293 C CYS A 84 3.308 9.612 -1.650 1.00 0.00 C ATOM 1294 O CYS A 84 3.228 10.474 -0.822 1.00 0.00 O ATOM 1295 CB CYS A 84 2.915 7.112 -2.150 1.00 0.00 C ATOM 1296 SG CYS A 84 3.853 6.987 -3.705 1.00 0.00 S ATOM 0 H CYS A 84 1.810 9.080 -0.444 1.00 0.00 H new ATOM 0 HA CYS A 84 4.339 7.799 -0.926 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.973 6.150 -1.640 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.867 7.278 -2.398 1.00 0.00 H new ATOM 0 HG CYS A 84 4.360 5.795 -3.811 1.00 0.00 H new ATOM 1302 N LEU A 85 3.348 9.834 -2.918 1.00 0.00 N ATOM 1303 CA LEU A 85 3.897 11.069 -3.612 1.00 0.00 C ATOM 1304 C LEU A 85 3.713 12.540 -3.009 1.00 0.00 C ATOM 1305 O LEU A 85 4.163 13.497 -3.585 1.00 0.00 O ATOM 1306 CB LEU A 85 3.735 11.023 -5.172 1.00 0.00 C ATOM 1307 CG LEU A 85 2.409 11.466 -5.810 1.00 0.00 C ATOM 1308 CD1 LEU A 85 1.215 10.748 -5.238 1.00 0.00 C ATOM 1309 CD2 LEU A 85 2.254 12.955 -5.728 1.00 0.00 C ATOM 0 H LEU A 85 2.990 9.151 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 85 4.939 10.931 -3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.525 11.640 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.923 9.997 -5.490 1.00 0.00 H new ATOM 0 HG LEU A 85 2.450 11.184 -6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.308 11.103 -5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.321 9.676 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.150 10.945 -4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.309 13.248 -6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.263 13.265 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.077 13.436 -6.256 1.00 0.00 H new ATOM 1321 N ASN A 86 3.155 12.681 -1.876 1.00 0.00 N ATOM 1322 CA ASN A 86 3.264 13.906 -1.136 1.00 0.00 C ATOM 1323 C ASN A 86 4.515 13.788 -0.220 1.00 0.00 C ATOM 1324 O ASN A 86 5.078 14.789 0.241 1.00 0.00 O ATOM 1325 CB ASN A 86 1.963 14.301 -0.381 1.00 0.00 C ATOM 1326 CG ASN A 86 1.373 13.227 0.523 1.00 0.00 C ATOM 1327 OD1 ASN A 86 2.068 12.394 1.067 1.00 0.00 O ATOM 1328 ND2 ASN A 86 0.070 13.246 0.672 1.00 0.00 N ATOM 0 H ASN A 86 2.602 11.957 -1.417 1.00 0.00 H new ATOM 0 HA ASN A 86 3.397 14.739 -1.826 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.169 15.185 0.222 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.210 14.585 -1.116 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.386 12.547 1.259 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.487 13.959 0.201 1.00 0.00 H new ATOM 1335 N ILE A 87 4.950 12.526 0.037 1.00 0.00 N ATOM 1336 CA ILE A 87 6.276 12.259 0.643 1.00 0.00 C ATOM 1337 C ILE A 87 7.321 12.377 -0.458 1.00 0.00 C ATOM 1338 O ILE A 87 8.429 12.864 -0.244 1.00 0.00 O ATOM 1339 CB ILE A 87 6.405 10.837 1.412 1.00 0.00 C ATOM 1340 CG1 ILE A 87 5.859 10.929 2.853 1.00 0.00 C ATOM 1341 CG2 ILE A 87 7.854 10.289 1.439 1.00 0.00 C ATOM 1342 CD1 ILE A 87 4.388 11.225 2.962 1.00 0.00 C ATOM 0 H ILE A 87 4.406 11.687 -0.165 1.00 0.00 H new ATOM 0 HA ILE A 87 6.430 12.999 1.429 1.00 0.00 H new ATOM 0 HB ILE A 87 5.800 10.135 0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.063 9.987 3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.410 11.705 3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.873 9.336 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.208 10.145 0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.503 11.000 1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.103 11.269 4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.173 12.182 2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.821 10.438 2.465 1.00 0.00 H new ATOM 1354 N LYS A 88 6.917 11.996 -1.651 1.00 0.00 N ATOM 1355 CA LYS A 88 7.777 12.045 -2.808 1.00 0.00 C ATOM 1356 C LYS A 88 7.780 13.376 -3.433 1.00 0.00 C ATOM 1357 O LYS A 88 6.760 14.003 -3.561 1.00 0.00 O ATOM 1358 CB LYS A 88 7.278 11.148 -3.942 1.00 0.00 C ATOM 1359 CG LYS A 88 7.392 9.664 -3.751 1.00 0.00 C ATOM 1360 CD LYS A 88 8.605 9.156 -4.512 1.00 0.00 C ATOM 1361 CE LYS A 88 9.882 9.804 -4.015 1.00 0.00 C ATOM 1362 NZ LYS A 88 11.003 9.589 -4.923 1.00 0.00 N ATOM 0 H LYS A 88 5.980 11.643 -1.844 1.00 0.00 H new ATOM 0 HA LYS A 88 8.751 11.744 -2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.229 11.385 -4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.824 11.414 -4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.487 9.428 -2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.489 9.169 -4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.678 8.074 -4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.481 9.361 -5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.719 10.874 -3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.131 9.403 -3.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.877 9.469 -4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.831 8.735 -5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.101 10.410 -5.554 1.00 0.00 H new ATOM 1586 N SER B 12 5.270 -1.624 9.586 1.00 0.00 N ATOM 1587 CA SER B 12 5.188 -2.808 8.759 1.00 0.00 C ATOM 1588 C SER B 12 4.116 -2.725 7.641 1.00 0.00 C ATOM 1589 O SER B 12 2.912 -2.839 7.903 1.00 0.00 O ATOM 1590 CB SER B 12 4.996 -4.039 9.643 1.00 0.00 C ATOM 1591 OG SER B 12 3.926 -3.843 10.566 1.00 0.00 O ATOM 0 HA SER B 12 6.134 -2.890 8.224 1.00 0.00 H new ATOM 0 HB2 SER B 12 4.789 -4.910 9.021 1.00 0.00 H new ATOM 0 HB3 SER B 12 5.917 -4.248 10.187 1.00 0.00 H new ATOM 0 HG SER B 12 3.218 -4.498 10.390 1.00 0.00 H new ATOM 1597 N PRO B 13 4.549 -2.494 6.368 1.00 0.00 N ATOM 1598 CA PRO B 13 3.669 -2.498 5.181 1.00 0.00 C ATOM 1599 C PRO B 13 3.179 -3.902 4.866 1.00 0.00 C ATOM 1600 O PRO B 13 2.289 -4.114 4.061 1.00 0.00 O ATOM 1601 CB PRO B 13 4.586 -2.019 4.069 1.00 0.00 C ATOM 1602 CG PRO B 13 5.705 -1.350 4.752 1.00 0.00 C ATOM 1603 CD PRO B 13 5.930 -2.177 5.967 1.00 0.00 C ATOM 0 HA PRO B 13 2.779 -1.884 5.319 1.00 0.00 H new ATOM 0 HB2 PRO B 13 4.938 -2.853 3.462 1.00 0.00 H new ATOM 0 HB3 PRO B 13 4.067 -1.333 3.399 1.00 0.00 H new ATOM 0 HG2 PRO B 13 6.594 -1.316 4.122 1.00 0.00 H new ATOM 0 HG3 PRO B 13 5.457 -0.320 5.010 1.00 0.00 H new ATOM 0 HD2 PRO B 13 6.510 -3.074 5.751 1.00 0.00 H new ATOM 0 HD3 PRO B 13 6.467 -1.630 6.742 1.00 0.00 H new ATOM 1611 N ASP B 14 3.829 -4.831 5.483 1.00 0.00 N ATOM 1612 CA ASP B 14 3.573 -6.274 5.365 1.00 0.00 C ATOM 1613 C ASP B 14 2.089 -6.584 5.635 1.00 0.00 C ATOM 1614 O ASP B 14 1.495 -7.461 5.028 1.00 0.00 O ATOM 1615 CB ASP B 14 4.449 -6.982 6.408 1.00 0.00 C ATOM 1616 CG ASP B 14 4.473 -8.491 6.304 1.00 0.00 C ATOM 1617 OD1 ASP B 14 3.574 -9.166 6.858 1.00 0.00 O ATOM 1618 OD2 ASP B 14 5.448 -9.032 5.740 1.00 0.00 O ATOM 0 H ASP B 14 4.596 -4.620 6.121 1.00 0.00 H new ATOM 0 HA ASP B 14 3.809 -6.618 4.358 1.00 0.00 H new ATOM 0 HB2 ASP B 14 5.469 -6.610 6.316 1.00 0.00 H new ATOM 0 HB3 ASP B 14 4.098 -6.707 7.403 1.00 0.00 H new ATOM 1623 N ASP B 15 1.497 -5.794 6.506 1.00 0.00 N ATOM 1624 CA ASP B 15 0.118 -5.974 6.949 1.00 0.00 C ATOM 1625 C ASP B 15 -0.927 -5.598 5.885 1.00 0.00 C ATOM 1626 O ASP B 15 -2.041 -6.110 5.912 1.00 0.00 O ATOM 1627 CB ASP B 15 -0.142 -5.157 8.225 1.00 0.00 C ATOM 1628 CG ASP B 15 0.690 -5.590 9.415 1.00 0.00 C ATOM 1629 OD1 ASP B 15 1.887 -5.233 9.502 1.00 0.00 O ATOM 1630 OD2 ASP B 15 0.155 -6.261 10.319 1.00 0.00 O ATOM 0 H ASP B 15 1.962 -4.995 6.936 1.00 0.00 H new ATOM 0 HA ASP B 15 0.004 -7.040 7.145 1.00 0.00 H new ATOM 0 HB2 ASP B 15 0.058 -4.106 8.018 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -1.198 -5.235 8.485 1.00 0.00 H new ATOM 1635 N ILE B 16 -0.576 -4.706 4.948 1.00 0.00 N ATOM 1636 CA ILE B 16 -1.466 -4.184 3.955 1.00 0.00 C ATOM 1637 C ILE B 16 -1.886 -5.246 2.966 1.00 0.00 C ATOM 1638 O ILE B 16 -2.853 -5.130 2.246 1.00 0.00 O ATOM 1639 CB ILE B 16 -0.914 -2.942 3.281 1.00 0.00 C ATOM 1640 CG1 ILE B 16 0.092 -2.197 4.153 1.00 0.00 C ATOM 1641 CG2 ILE B 16 -2.031 -2.052 3.111 1.00 0.00 C ATOM 1642 CD1 ILE B 16 -0.444 -1.851 5.462 1.00 0.00 C ATOM 0 H ILE B 16 0.369 -4.329 4.876 1.00 0.00 H new ATOM 0 HA ILE B 16 -2.370 -3.866 4.473 1.00 0.00 H new ATOM 0 HB ILE B 16 -0.419 -3.239 2.357 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.982 -2.813 4.281 1.00 0.00 H new ATOM 0 HG13 ILE B 16 0.406 -1.287 3.642 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -1.695 -1.134 2.628 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -2.788 -2.532 2.491 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -2.458 -1.814 4.085 1.00 0.00 H new ATOM 0 HD11 ILE B 16 0.316 -1.323 6.038 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -1.317 -1.210 5.340 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -0.732 -2.760 5.989 1.00 0.00 H new ATOM 1654 N GLU B 17 -1.083 -6.212 2.929 1.00 0.00 N ATOM 1655 CA GLU B 17 -1.371 -7.510 2.296 1.00 0.00 C ATOM 1656 C GLU B 17 -2.719 -8.043 2.698 1.00 0.00 C ATOM 1657 O GLU B 17 -3.412 -8.607 1.864 1.00 0.00 O ATOM 1658 CB GLU B 17 -0.354 -8.563 2.686 1.00 0.00 C ATOM 1659 CG GLU B 17 0.852 -8.640 1.800 1.00 0.00 C ATOM 1660 CD GLU B 17 0.993 -10.027 1.196 1.00 0.00 C ATOM 1661 OE1 GLU B 17 0.429 -10.292 0.134 1.00 0.00 O ATOM 1662 OE2 GLU B 17 1.653 -10.893 1.792 1.00 0.00 O ATOM 0 H GLU B 17 -0.152 -6.167 3.344 1.00 0.00 H new ATOM 0 HA GLU B 17 -1.338 -7.321 1.223 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.024 -8.367 3.706 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -0.845 -9.536 2.691 1.00 0.00 H new ATOM 0 HG2 GLU B 17 0.772 -7.899 1.005 1.00 0.00 H new ATOM 0 HG3 GLU B 17 1.746 -8.396 2.374 1.00 0.00 H new ATOM 1669 N GLN B 18 -3.125 -7.825 3.928 1.00 0.00 N ATOM 1670 CA GLN B 18 -4.452 -8.245 4.325 1.00 0.00 C ATOM 1671 C GLN B 18 -5.462 -7.417 3.580 1.00 0.00 C ATOM 1672 O GLN B 18 -6.489 -7.948 3.051 1.00 0.00 O ATOM 1673 CB GLN B 18 -4.711 -8.061 5.815 1.00 0.00 C ATOM 1674 CG GLN B 18 -3.867 -8.888 6.753 1.00 0.00 C ATOM 1675 CD GLN B 18 -3.978 -10.378 6.502 1.00 0.00 C ATOM 1676 OE1 GLN B 18 -3.193 -10.956 5.753 1.00 0.00 O ATOM 1677 NE2 GLN B 18 -4.955 -11.008 7.100 1.00 0.00 N ATOM 0 H GLN B 18 -2.573 -7.371 4.656 1.00 0.00 H new ATOM 0 HA GLN B 18 -4.535 -9.307 4.095 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -4.562 -7.009 6.060 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -5.759 -8.288 6.009 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -2.824 -8.586 6.654 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -4.164 -8.676 7.780 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -5.589 -10.499 7.716 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -5.083 -12.009 6.951 1.00 0.00 H new ATOM 1686 N TRP B 19 -5.112 -6.128 3.459 1.00 0.00 N ATOM 1687 CA TRP B 19 -5.938 -5.134 2.926 1.00 0.00 C ATOM 1688 C TRP B 19 -5.893 -5.069 1.431 1.00 0.00 C ATOM 1689 O TRP B 19 -6.388 -4.140 0.862 1.00 0.00 O ATOM 1690 CB TRP B 19 -5.646 -3.797 3.571 1.00 0.00 C ATOM 1691 CG TRP B 19 -5.880 -3.858 5.039 1.00 0.00 C ATOM 1692 CD1 TRP B 19 -6.974 -4.360 5.653 1.00 0.00 C ATOM 1693 CD2 TRP B 19 -5.023 -3.398 6.079 1.00 0.00 C ATOM 1694 NE1 TRP B 19 -6.822 -4.299 6.992 1.00 0.00 N ATOM 1695 CE2 TRP B 19 -5.647 -3.693 7.280 1.00 0.00 C ATOM 1696 CE3 TRP B 19 -3.799 -2.779 6.111 1.00 0.00 C ATOM 1697 CZ2 TRP B 19 -5.081 -3.392 8.493 1.00 0.00 C ATOM 1698 CZ3 TRP B 19 -3.231 -2.473 7.323 1.00 0.00 C ATOM 1699 CH2 TRP B 19 -3.874 -2.779 8.502 1.00 0.00 C ATOM 0 H TRP B 19 -4.201 -5.777 3.753 1.00 0.00 H new ATOM 0 HA TRP B 19 -6.965 -5.407 3.167 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -4.613 -3.511 3.374 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -6.280 -3.028 3.129 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -7.843 -4.753 5.146 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -7.488 -4.654 7.679 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -3.287 -2.535 5.192 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -5.585 -3.638 9.416 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -2.267 -1.986 7.352 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -3.410 -2.527 9.444 1.00 0.00 H new ATOM 1710 N PHE B 20 -5.214 -5.971 0.791 1.00 0.00 N ATOM 1711 CA PHE B 20 -5.517 -6.195 -0.490 1.00 0.00 C ATOM 1712 C PHE B 20 -6.189 -7.493 -0.542 1.00 0.00 C ATOM 1713 O PHE B 20 -7.337 -7.564 -0.904 1.00 0.00 O ATOM 1714 CB PHE B 20 -4.344 -6.079 -1.413 1.00 0.00 C ATOM 1715 CG PHE B 20 -3.417 -7.188 -1.615 1.00 0.00 C ATOM 1716 CD1 PHE B 20 -2.386 -7.336 -0.797 1.00 0.00 C ATOM 1717 CD2 PHE B 20 -3.575 -8.051 -2.688 1.00 0.00 C ATOM 1718 CE1 PHE B 20 -1.485 -8.344 -0.997 1.00 0.00 C ATOM 1719 CE2 PHE B 20 -2.693 -9.064 -2.901 1.00 0.00 C ATOM 1720 CZ PHE B 20 -1.639 -9.212 -2.053 1.00 0.00 C ATOM 0 H PHE B 20 -4.458 -6.535 1.179 1.00 0.00 H new ATOM 0 HA PHE B 20 -6.184 -5.417 -0.862 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -4.738 -5.814 -2.394 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -3.752 -5.231 -1.068 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -2.257 -6.657 0.032 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -4.408 -7.917 -3.362 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -0.649 -8.460 -0.323 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -2.827 -9.741 -3.731 1.00 0.00 H new ATOM 0 HZ PHE B 20 -0.926 -10.008 -2.209 1.00 0.00 H new ATOM 1730 N THR B 21 -5.527 -8.515 -0.103 1.00 0.00 N ATOM 1731 CA THR B 21 -6.108 -9.726 -0.139 1.00 0.00 C ATOM 1732 C THR B 21 -5.642 -10.671 0.938 1.00 0.00 C ATOM 1733 O THR B 21 -4.468 -11.107 1.008 1.00 0.00 O ATOM 1734 CB THR B 21 -6.149 -10.350 -1.576 1.00 0.00 C ATOM 1735 OG1 THR B 21 -7.381 -11.043 -1.762 1.00 0.00 O ATOM 1736 CG2 THR B 21 -5.050 -11.310 -1.803 1.00 0.00 C ATOM 0 H THR B 21 -4.581 -8.488 0.278 1.00 0.00 H new ATOM 0 HA THR B 21 -7.152 -9.545 0.117 1.00 0.00 H new ATOM 0 HB THR B 21 -6.044 -9.526 -2.282 1.00 0.00 H new ATOM 0 HG1 THR B 21 -7.468 -11.743 -1.082 1.00 0.00 H new ATOM 0 HG21 THR B 21 -5.123 -11.714 -2.813 1.00 0.00 H new ATOM 0 HG22 THR B 21 -4.093 -10.802 -1.683 1.00 0.00 H new ATOM 0 HG23 THR B 21 -5.122 -12.123 -1.081 1.00 0.00 H new ATOM 1744 N GLU B 22 -6.511 -10.870 1.860 1.00 0.00 N ATOM 1745 CA GLU B 22 -6.492 -12.115 2.518 1.00 0.00 C ATOM 1746 C GLU B 22 -7.405 -12.960 1.580 1.00 0.00 C ATOM 1747 O GLU B 22 -7.415 -12.705 0.367 1.00 0.00 O ATOM 1748 CB GLU B 22 -6.968 -12.039 4.006 1.00 0.00 C ATOM 1749 CG GLU B 22 -8.444 -11.756 4.268 1.00 0.00 C ATOM 1750 CD GLU B 22 -8.892 -10.398 3.883 1.00 0.00 C ATOM 1751 OE1 GLU B 22 -8.834 -9.471 4.723 1.00 0.00 O ATOM 1752 OE2 GLU B 22 -9.356 -10.228 2.744 1.00 0.00 O ATOM 0 H GLU B 22 -7.223 -10.207 2.167 1.00 0.00 H new ATOM 0 HA GLU B 22 -5.498 -12.544 2.648 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -6.718 -12.985 4.486 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -6.385 -11.265 4.505 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -9.042 -12.488 3.726 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -8.645 -11.903 5.329 1.00 0.00 H new