USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 915 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 25 HIS : no HD1:sc= -0.579 K(o=0.72,f=-7.4!) USER MOD Set 1.2: A 114 SER OG : rot 68:sc= 1.3 USER MOD Set 2.1: A 87 ASN : amide:sc= -2.6 K(o=-7.3,f=-11!) USER MOD Set 2.2: A 90 LYS NZ :NH3+ -176:sc= -4.69! (180deg=-2.47!) USER MOD Set 3.1: A 60 HIS :FLIP no HE2:sc= -2.07 F(o=-3.9!,f=-2.4) USER MOD Set 3.2: A 73 THR OG1 : rot 143:sc= -0.339 USER MOD Set 4.1: A 48 ASN : amide:sc= -0.713 K(o=0.076,f=-2.1) USER MOD Set 4.2: A 61 TYR OH : rot -25:sc= 0.79 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.000224) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 36 THR OG1 : rot 176:sc= 0.516 USER MOD Single : A 38 GLN : amide:sc= -0.0842 X(o=-0.084,f=-0.084) USER MOD Single : A 42 LYS NZ :NH3+ -100:sc= -0.928 (180deg=-1.97!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.71 K(o=-0.71,f=-5.8!) USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0575) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 24:sc= 0.861 USER MOD Single : A 54 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.24) USER MOD Single : A 56 ASN : amide:sc= -0.0943 K(o=-0.094,f=-0.86) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -175:sc= 0.214 USER MOD Single : A 64 GLN : amide:sc= -4.85! C(o=-4.8!,f=-5.5!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 24:sc= -2.42! USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0841 K(o=-0.084,f=-0.69) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN :FLIP amide:sc= -0.0194 F(o=-0.92,f=-0.019) USER MOD Single : A 95 THR OG1 : rot 75:sc= 1.23 USER MOD Single : A 96 THR OG1 : rot 98:sc= 1.13 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.1) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 107 TYR OH : rot 180:sc= -0.0132 USER MOD Single : A 109 MET CE :methyl -163:sc= -1.38! (180deg=-1.87!) USER MOD Single : A 110 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.14) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.306 K(o=-0.31,f=-3!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.0629 X(o=-0.063,f=0) USER MOD Single : A 124 HIS : no HD1:sc= -0.146 X(o=-0.15,f=0.028) USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 10 -2.857 6.509 6.793 1.00 0.00 N ATOM 94 CA ILE A 10 -2.531 6.234 5.399 1.00 0.00 C ATOM 95 C ILE A 10 -3.628 6.738 4.468 1.00 0.00 C ATOM 96 O ILE A 10 -4.817 6.562 4.739 1.00 0.00 O ATOM 97 CB ILE A 10 -2.319 4.728 5.157 1.00 0.00 C ATOM 98 CG1 ILE A 10 -1.203 4.196 6.059 1.00 0.00 C ATOM 99 CG2 ILE A 10 -1.995 4.467 3.694 1.00 0.00 C ATOM 100 CD1 ILE A 10 -1.694 3.708 7.404 1.00 0.00 C ATOM 0 HA ILE A 10 -1.603 6.763 5.182 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.241 4.202 5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.693 3.379 5.549 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.466 4.984 6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.848 3.398 3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.820 4.814 3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.085 5.002 3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.849 3.345 7.990 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.178 4.528 7.934 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.409 2.898 7.258 1.00 0.00 H new ATOM 112 N LEU A 11 -3.222 7.363 3.368 1.00 0.00 N ATOM 113 CA LEU A 11 -4.170 7.891 2.394 1.00 0.00 C ATOM 114 C LEU A 11 -4.252 6.986 1.168 1.00 0.00 C ATOM 115 O LEU A 11 -5.334 6.750 0.630 1.00 0.00 O ATOM 116 CB LEU A 11 -3.765 9.304 1.972 1.00 0.00 C ATOM 117 CG LEU A 11 -4.038 10.413 2.989 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.328 11.695 2.586 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.535 10.651 3.128 1.00 0.00 C ATOM 0 H LEU A 11 -2.242 7.516 3.129 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.153 7.927 2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.699 9.302 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.288 9.549 1.048 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.648 10.096 3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.534 12.472 3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.254 11.516 2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.686 12.017 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.711 11.443 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.948 10.946 2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.019 9.735 3.465 1.00 0.00 H new ATOM 131 N PHE A 12 -3.102 6.481 0.734 1.00 0.00 N ATOM 132 CA PHE A 12 -3.044 5.601 -0.428 1.00 0.00 C ATOM 133 C PHE A 12 -2.377 4.276 -0.073 1.00 0.00 C ATOM 134 O PHE A 12 -1.319 4.250 0.556 1.00 0.00 O ATOM 135 CB PHE A 12 -2.284 6.279 -1.570 1.00 0.00 C ATOM 136 CG PHE A 12 -2.314 5.501 -2.854 1.00 0.00 C ATOM 137 CD1 PHE A 12 -1.462 4.426 -3.049 1.00 0.00 C ATOM 138 CD2 PHE A 12 -3.195 5.845 -3.867 1.00 0.00 C ATOM 139 CE1 PHE A 12 -1.487 3.708 -4.230 1.00 0.00 C ATOM 140 CE2 PHE A 12 -3.226 5.130 -5.049 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.370 4.061 -5.232 1.00 0.00 C ATOM 0 H PHE A 12 -2.198 6.666 1.169 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.065 5.398 -0.751 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.710 7.267 -1.743 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.247 6.427 -1.268 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.770 4.146 -2.269 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.865 6.681 -3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.817 2.872 -4.369 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.919 5.407 -5.830 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.391 3.503 -6.156 1.00 0.00 H new ATOM 151 N ALA A 13 -3.003 3.177 -0.480 1.00 0.00 N ATOM 152 CA ALA A 13 -2.470 1.848 -0.207 1.00 0.00 C ATOM 153 C ALA A 13 -2.983 0.832 -1.222 1.00 0.00 C ATOM 154 O ALA A 13 -4.189 0.629 -1.357 1.00 0.00 O ATOM 155 CB ALA A 13 -2.832 1.414 1.206 1.00 0.00 C ATOM 0 H ALA A 13 -3.880 3.181 -1.000 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.384 1.894 -0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.428 0.420 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.412 2.120 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.916 1.391 1.313 1.00 0.00 H new ATOM 161 N VAL A 14 -2.058 0.195 -1.934 1.00 0.00 N ATOM 162 CA VAL A 14 -2.417 -0.801 -2.937 1.00 0.00 C ATOM 163 C VAL A 14 -1.406 -1.942 -2.964 1.00 0.00 C ATOM 164 O VAL A 14 -0.221 -1.743 -2.695 1.00 0.00 O ATOM 165 CB VAL A 14 -2.507 -0.176 -4.341 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.177 1.188 -4.277 1.00 0.00 C ATOM 167 CG2 VAL A 14 -1.124 -0.070 -4.967 1.00 0.00 C ATOM 0 H VAL A 14 -1.055 0.351 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.395 -1.193 -2.659 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.117 -0.825 -4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.232 1.614 -5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.184 1.080 -3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.597 1.849 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.207 0.374 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.488 0.556 -4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.685 -1.064 -5.050 1.00 0.00 H new ATOM 177 N VAL A 15 -1.882 -3.139 -3.291 1.00 0.00 N ATOM 178 CA VAL A 15 -1.020 -4.313 -3.355 1.00 0.00 C ATOM 179 C VAL A 15 -0.714 -4.692 -4.800 1.00 0.00 C ATOM 180 O VAL A 15 -1.623 -4.930 -5.595 1.00 0.00 O ATOM 181 CB VAL A 15 -1.660 -5.520 -2.644 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.993 -6.814 -3.082 1.00 0.00 C ATOM 183 CG2 VAL A 15 -1.579 -5.352 -1.134 1.00 0.00 C ATOM 0 H VAL A 15 -2.860 -3.321 -3.516 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.092 -4.052 -2.846 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.712 -5.570 -2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.459 -7.655 -2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.109 -6.937 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.068 -6.779 -2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.036 -6.214 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.534 -5.276 -0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.109 -4.446 -0.840 1.00 0.00 H new ATOM 193 N ALA A 16 0.571 -4.746 -5.133 1.00 0.00 N ATOM 194 CA ALA A 16 0.997 -5.099 -6.481 1.00 0.00 C ATOM 195 C ALA A 16 2.243 -5.978 -6.452 1.00 0.00 C ATOM 196 O ALA A 16 3.176 -5.723 -5.691 1.00 0.00 O ATOM 197 CB ALA A 16 1.255 -3.842 -7.299 1.00 0.00 C ATOM 0 H ALA A 16 1.336 -4.550 -4.487 1.00 0.00 H new ATOM 0 HA ALA A 16 0.195 -5.668 -6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.573 -4.121 -8.304 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.340 -3.252 -7.358 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.037 -3.252 -6.822 1.00 0.00 H new ATOM 203 N ARG A 17 2.250 -7.014 -7.283 1.00 0.00 N ATOM 204 CA ARG A 17 3.380 -7.932 -7.350 1.00 0.00 C ATOM 205 C ARG A 17 4.359 -7.511 -8.443 1.00 0.00 C ATOM 206 O ARG A 17 4.193 -7.865 -9.609 1.00 0.00 O ATOM 207 CB ARG A 17 2.892 -9.359 -7.611 1.00 0.00 C ATOM 208 CG ARG A 17 1.877 -9.458 -8.738 1.00 0.00 C ATOM 209 CD ARG A 17 1.488 -10.903 -9.011 1.00 0.00 C ATOM 210 NE ARG A 17 0.765 -11.046 -10.271 1.00 0.00 N ATOM 211 CZ ARG A 17 0.516 -12.217 -10.847 1.00 0.00 C ATOM 212 NH1 ARG A 17 0.930 -13.341 -10.278 1.00 0.00 N ATOM 213 NH2 ARG A 17 -0.149 -12.266 -11.995 1.00 0.00 N ATOM 0 H ARG A 17 1.486 -7.239 -7.920 1.00 0.00 H new ATOM 0 HA ARG A 17 3.897 -7.902 -6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.749 -9.989 -7.849 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.448 -9.755 -6.698 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.988 -8.883 -8.480 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.292 -9.014 -9.643 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.385 -11.521 -9.036 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.869 -11.272 -8.194 1.00 0.00 H new ATOM 0 HE ARG A 17 0.433 -10.200 -10.735 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.441 -13.308 -9.396 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.737 -14.239 -10.722 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.469 -11.404 -12.436 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.339 -13.166 -12.436 1.00 0.00 H new ATOM 227 N GLY A 18 5.379 -6.751 -8.056 1.00 0.00 N ATOM 228 CA GLY A 18 6.369 -6.294 -9.013 1.00 0.00 C ATOM 229 C GLY A 18 5.883 -5.111 -9.828 1.00 0.00 C ATOM 230 O GLY A 18 6.163 -3.959 -9.493 1.00 0.00 O ATOM 0 H GLY A 18 5.537 -6.444 -7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.281 -6.017 -8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.626 -7.113 -9.685 1.00 0.00 H new ATOM 234 N THR A 19 5.155 -5.394 -10.903 1.00 0.00 N ATOM 235 CA THR A 19 4.632 -4.345 -11.770 1.00 0.00 C ATOM 236 C THR A 19 3.143 -4.540 -12.032 1.00 0.00 C ATOM 237 O THR A 19 2.497 -3.701 -12.661 1.00 0.00 O ATOM 238 CB THR A 19 5.378 -4.305 -13.116 1.00 0.00 C ATOM 239 OG1 THR A 19 5.540 -5.633 -13.626 1.00 0.00 O ATOM 240 CG2 THR A 19 6.741 -3.646 -12.960 1.00 0.00 C ATOM 0 H THR A 19 4.914 -6.341 -11.195 1.00 0.00 H new ATOM 0 HA THR A 19 4.786 -3.399 -11.250 1.00 0.00 H new ATOM 0 HB THR A 19 4.786 -3.717 -13.817 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.014 -5.599 -14.483 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.249 -3.629 -13.924 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.613 -2.625 -12.600 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.339 -4.211 -12.244 1.00 0.00 H new ATOM 248 N THR A 20 2.602 -5.654 -11.547 1.00 0.00 N ATOM 249 CA THR A 20 1.189 -5.959 -11.730 1.00 0.00 C ATOM 250 C THR A 20 0.380 -5.581 -10.495 1.00 0.00 C ATOM 251 O THR A 20 0.718 -5.970 -9.377 1.00 0.00 O ATOM 252 CB THR A 20 0.972 -7.454 -12.034 1.00 0.00 C ATOM 253 OG1 THR A 20 1.636 -7.807 -13.253 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.511 -7.773 -12.147 1.00 0.00 C ATOM 0 H THR A 20 3.122 -6.359 -11.025 1.00 0.00 H new ATOM 0 HA THR A 20 0.846 -5.369 -12.580 1.00 0.00 H new ATOM 0 HB THR A 20 1.390 -8.034 -11.212 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.495 -8.759 -13.439 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.640 -8.834 -12.362 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.008 -7.530 -11.208 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.950 -7.184 -12.952 1.00 0.00 H new ATOM 262 N ILE A 21 -0.690 -4.821 -10.704 1.00 0.00 N ATOM 263 CA ILE A 21 -1.548 -4.392 -9.606 1.00 0.00 C ATOM 264 C ILE A 21 -2.769 -5.295 -9.478 1.00 0.00 C ATOM 265 O ILE A 21 -3.562 -5.423 -10.412 1.00 0.00 O ATOM 266 CB ILE A 21 -2.017 -2.937 -9.794 1.00 0.00 C ATOM 267 CG1 ILE A 21 -0.812 -2.004 -9.937 1.00 0.00 C ATOM 268 CG2 ILE A 21 -2.891 -2.507 -8.625 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.180 -0.607 -10.385 1.00 0.00 C ATOM 0 H ILE A 21 -0.983 -4.490 -11.623 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.953 -4.459 -8.695 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.610 -2.877 -10.707 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.293 -1.945 -8.980 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.112 -2.434 -10.654 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.215 -1.477 -8.772 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.764 -3.157 -8.565 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.321 -2.579 -7.699 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.278 -0.001 -10.465 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.673 -0.654 -11.356 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.855 -0.158 -9.657 1.00 0.00 H new ATOM 281 N LEU A 22 -2.916 -5.920 -8.314 1.00 0.00 N ATOM 282 CA LEU A 22 -4.043 -6.811 -8.062 1.00 0.00 C ATOM 283 C LEU A 22 -5.254 -6.030 -7.561 1.00 0.00 C ATOM 284 O LEU A 22 -6.221 -5.827 -8.295 1.00 0.00 O ATOM 285 CB LEU A 22 -3.654 -7.880 -7.039 1.00 0.00 C ATOM 286 CG LEU A 22 -2.701 -8.968 -7.536 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.857 -9.503 -6.389 1.00 0.00 C ATOM 288 CD2 LEU A 22 -3.477 -10.096 -8.200 1.00 0.00 C ATOM 0 H LEU A 22 -2.269 -5.826 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.309 -7.295 -9.002 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.195 -7.386 -6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.565 -8.359 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.034 -8.528 -8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.185 -10.276 -6.762 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.272 -8.691 -5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.509 -9.926 -5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.782 -10.861 -8.547 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.169 -10.534 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.037 -9.702 -9.048 1.00 0.00 H new ATOM 300 N ALA A 23 -5.192 -5.591 -6.308 1.00 0.00 N ATOM 301 CA ALA A 23 -6.281 -4.829 -5.711 1.00 0.00 C ATOM 302 C ALA A 23 -5.798 -3.463 -5.234 1.00 0.00 C ATOM 303 O ALA A 23 -4.932 -3.368 -4.364 1.00 0.00 O ATOM 304 CB ALA A 23 -6.899 -5.605 -4.557 1.00 0.00 C ATOM 0 H ALA A 23 -4.399 -5.750 -5.687 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.042 -4.670 -6.475 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.711 -5.023 -4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.289 -6.554 -4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.140 -5.794 -3.798 1.00 0.00 H new ATOM 310 N LYS A 24 -6.362 -2.407 -5.810 1.00 0.00 N ATOM 311 CA LYS A 24 -5.990 -1.045 -5.445 1.00 0.00 C ATOM 312 C LYS A 24 -7.186 -0.288 -4.877 1.00 0.00 C ATOM 313 O LYS A 24 -8.310 -0.433 -5.358 1.00 0.00 O ATOM 314 CB LYS A 24 -5.433 -0.303 -6.661 1.00 0.00 C ATOM 315 CG LYS A 24 -6.306 -0.421 -7.898 1.00 0.00 C ATOM 316 CD LYS A 24 -5.812 0.479 -9.018 1.00 0.00 C ATOM 317 CE LYS A 24 -6.931 0.830 -9.987 1.00 0.00 C ATOM 318 NZ LYS A 24 -7.684 2.038 -9.551 1.00 0.00 N ATOM 0 H LYS A 24 -7.079 -2.468 -6.532 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.219 -1.099 -4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.314 0.751 -6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.440 -0.690 -6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.316 -1.456 -8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.333 -0.158 -7.646 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.396 1.393 -8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.006 -0.018 -9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.512 1.002 -10.979 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.616 -0.014 -10.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.499 2.185 -10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.019 1.905 -8.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.061 2.869 -9.592 1.00 0.00 H new ATOM 332 N HIS A 25 -6.937 0.521 -3.852 1.00 0.00 N ATOM 333 CA HIS A 25 -7.993 1.303 -3.221 1.00 0.00 C ATOM 334 C HIS A 25 -7.414 2.512 -2.493 1.00 0.00 C ATOM 335 O HIS A 25 -6.721 2.369 -1.486 1.00 0.00 O ATOM 336 CB HIS A 25 -8.784 0.435 -2.242 1.00 0.00 C ATOM 337 CG HIS A 25 -9.881 1.172 -1.537 1.00 0.00 C ATOM 338 ND1 HIS A 25 -11.206 1.083 -1.907 1.00 0.00 N ATOM 339 CD2 HIS A 25 -9.842 2.015 -0.479 1.00 0.00 C ATOM 340 CE1 HIS A 25 -11.936 1.840 -1.107 1.00 0.00 C ATOM 341 NE2 HIS A 25 -11.132 2.416 -0.231 1.00 0.00 N ATOM 0 H HIS A 25 -6.013 0.652 -3.441 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.663 1.659 -4.003 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.214 -0.408 -2.783 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.100 0.023 -1.500 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.961 2.316 0.068 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.007 1.966 -1.160 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.422 3.055 0.509 1.00 0.00 H new ATOM 350 N ALA A 26 -7.702 3.702 -3.010 1.00 0.00 N ATOM 351 CA ALA A 26 -7.210 4.935 -2.408 1.00 0.00 C ATOM 352 C ALA A 26 -8.354 5.906 -2.134 1.00 0.00 C ATOM 353 O ALA A 26 -9.462 5.733 -2.641 1.00 0.00 O ATOM 354 CB ALA A 26 -6.169 5.583 -3.308 1.00 0.00 C ATOM 0 H ALA A 26 -8.273 3.838 -3.844 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.744 4.685 -1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.810 6.503 -2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.333 4.898 -3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.617 5.813 -4.275 1.00 0.00 H new ATOM 360 N TRP A 27 -8.077 6.927 -1.331 1.00 0.00 N ATOM 361 CA TRP A 27 -9.084 7.925 -0.989 1.00 0.00 C ATOM 362 C TRP A 27 -9.366 8.842 -2.175 1.00 0.00 C ATOM 363 O TRP A 27 -8.494 9.073 -3.013 1.00 0.00 O ATOM 364 CB TRP A 27 -8.625 8.753 0.212 1.00 0.00 C ATOM 365 CG TRP A 27 -8.882 8.082 1.528 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.272 6.959 2.009 1.00 0.00 C ATOM 367 CD2 TRP A 27 -9.819 8.493 2.530 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.773 6.646 3.250 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.723 7.572 3.592 1.00 0.00 C ATOM 370 CE3 TRP A 27 -10.728 9.549 2.634 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.503 7.677 4.741 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.502 9.652 3.775 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.385 8.721 4.816 1.00 0.00 C ATOM 0 H TRP A 27 -7.164 7.086 -0.905 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.004 7.402 -0.730 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.558 8.956 0.118 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -9.136 9.716 0.197 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.508 6.399 1.490 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.484 5.853 3.823 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -10.824 10.272 1.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.415 6.960 5.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.209 10.464 3.866 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.003 8.829 5.695 1.00 0.00 H new ATOM 384 N CYS A 28 -10.587 9.360 -2.239 1.00 0.00 N ATOM 385 CA CYS A 28 -10.983 10.252 -3.324 1.00 0.00 C ATOM 386 C CYS A 28 -10.368 11.635 -3.142 1.00 0.00 C ATOM 387 O CYS A 28 -10.849 12.440 -2.346 1.00 0.00 O ATOM 388 CB CYS A 28 -12.507 10.362 -3.390 1.00 0.00 C ATOM 389 SG CYS A 28 -13.316 8.953 -4.183 1.00 0.00 S ATOM 0 H CYS A 28 -11.320 9.178 -1.553 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.616 9.832 -4.260 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.897 10.468 -2.378 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.772 11.271 -3.931 1.00 0.00 H new ATOM 0 HG CYS A 28 -14.603 9.138 -4.188 1.00 0.00 H new ATOM 395 N GLY A 29 -9.299 11.905 -3.887 1.00 0.00 N ATOM 396 CA GLY A 29 -8.635 13.191 -3.792 1.00 0.00 C ATOM 397 C GLY A 29 -7.741 13.472 -4.984 1.00 0.00 C ATOM 398 O GLY A 29 -8.023 14.363 -5.784 1.00 0.00 O ATOM 0 H GLY A 29 -8.882 11.256 -4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.385 13.978 -3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.039 13.222 -2.880 1.00 0.00 H new ATOM 402 N GLY A 30 -6.658 12.709 -5.102 1.00 0.00 N ATOM 403 CA GLY A 30 -5.736 12.897 -6.207 1.00 0.00 C ATOM 404 C GLY A 30 -5.243 11.583 -6.780 1.00 0.00 C ATOM 405 O GLY A 30 -5.290 10.551 -6.113 1.00 0.00 O ATOM 0 H GLY A 30 -6.403 11.965 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.227 13.471 -6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.883 13.485 -5.869 1.00 0.00 H new ATOM 409 N ASN A 31 -4.769 11.621 -8.021 1.00 0.00 N ATOM 410 CA ASN A 31 -4.266 10.424 -8.685 1.00 0.00 C ATOM 411 C ASN A 31 -2.905 10.023 -8.125 1.00 0.00 C ATOM 412 O ASN A 31 -1.891 10.658 -8.416 1.00 0.00 O ATOM 413 CB ASN A 31 -4.162 10.657 -10.193 1.00 0.00 C ATOM 414 CG ASN A 31 -5.492 10.479 -10.899 1.00 0.00 C ATOM 415 OD1 ASN A 31 -5.646 9.598 -11.745 1.00 0.00 O ATOM 416 ND2 ASN A 31 -6.462 11.318 -10.553 1.00 0.00 N ATOM 0 H ASN A 31 -4.723 12.468 -8.587 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.969 9.612 -8.498 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.788 11.664 -10.377 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.434 9.964 -10.615 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.379 11.247 -10.994 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.290 12.033 -9.847 1.00 0.00 H new ATOM 423 N PHE A 32 -2.889 8.964 -7.322 1.00 0.00 N ATOM 424 CA PHE A 32 -1.653 8.478 -6.721 1.00 0.00 C ATOM 425 C PHE A 32 -1.143 7.240 -7.453 1.00 0.00 C ATOM 426 O PHE A 32 0.065 7.041 -7.593 1.00 0.00 O ATOM 427 CB PHE A 32 -1.872 8.156 -5.242 1.00 0.00 C ATOM 428 CG PHE A 32 -1.610 9.320 -4.330 1.00 0.00 C ATOM 429 CD1 PHE A 32 -0.441 10.056 -4.442 1.00 0.00 C ATOM 430 CD2 PHE A 32 -2.532 9.679 -3.360 1.00 0.00 C ATOM 431 CE1 PHE A 32 -0.198 11.128 -3.604 1.00 0.00 C ATOM 432 CE2 PHE A 32 -2.294 10.749 -2.519 1.00 0.00 C ATOM 433 CZ PHE A 32 -1.126 11.475 -2.641 1.00 0.00 C ATOM 0 H PHE A 32 -3.719 8.426 -7.073 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.903 9.264 -6.807 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.898 7.817 -5.100 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.221 7.329 -4.958 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.288 9.789 -5.192 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.448 9.116 -3.260 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.717 11.694 -3.702 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.021 11.017 -1.767 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.938 12.312 -1.985 1.00 0.00 H new ATOM 443 N LEU A 33 -2.071 6.411 -7.918 1.00 0.00 N ATOM 444 CA LEU A 33 -1.717 5.191 -8.635 1.00 0.00 C ATOM 445 C LEU A 33 -0.652 5.470 -9.691 1.00 0.00 C ATOM 446 O LEU A 33 0.057 4.562 -10.124 1.00 0.00 O ATOM 447 CB LEU A 33 -2.958 4.585 -9.293 1.00 0.00 C ATOM 448 CG LEU A 33 -2.837 3.127 -9.738 1.00 0.00 C ATOM 449 CD1 LEU A 33 -2.748 2.206 -8.530 1.00 0.00 C ATOM 450 CD2 LEU A 33 -4.014 2.739 -10.621 1.00 0.00 C ATOM 0 H LEU A 33 -3.074 6.561 -7.811 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.311 4.480 -7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.790 4.663 -8.593 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.215 5.189 -10.163 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.922 3.020 -10.320 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.662 1.173 -8.866 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.872 2.468 -7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.645 2.317 -7.921 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.911 1.698 -10.928 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.943 2.863 -10.064 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.032 3.378 -11.504 1.00 0.00 H new ATOM 462 N GLU A 34 -0.545 6.731 -10.098 1.00 0.00 N ATOM 463 CA GLU A 34 0.435 7.128 -11.102 1.00 0.00 C ATOM 464 C GLU A 34 1.854 7.006 -10.555 1.00 0.00 C ATOM 465 O GLU A 34 2.626 6.149 -10.986 1.00 0.00 O ATOM 466 CB GLU A 34 0.175 8.565 -11.560 1.00 0.00 C ATOM 467 CG GLU A 34 0.784 8.892 -12.913 1.00 0.00 C ATOM 468 CD GLU A 34 0.103 10.066 -13.590 1.00 0.00 C ATOM 469 OE1 GLU A 34 -1.133 10.189 -13.461 1.00 0.00 O ATOM 470 OE2 GLU A 34 0.806 10.860 -14.249 1.00 0.00 O ATOM 0 H GLU A 34 -1.124 7.494 -9.748 1.00 0.00 H new ATOM 0 HA GLU A 34 0.334 6.458 -11.956 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.901 8.734 -11.605 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.575 9.253 -10.815 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.843 9.115 -12.786 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.717 8.016 -13.559 1.00 0.00 H new ATOM 477 N VAL A 35 2.192 7.869 -9.603 1.00 0.00 N ATOM 478 CA VAL A 35 3.517 7.859 -8.996 1.00 0.00 C ATOM 479 C VAL A 35 3.869 6.472 -8.469 1.00 0.00 C ATOM 480 O VAL A 35 4.994 5.999 -8.635 1.00 0.00 O ATOM 481 CB VAL A 35 3.614 8.874 -7.842 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.931 8.333 -6.595 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.068 9.219 -7.556 1.00 0.00 C ATOM 0 H VAL A 35 1.566 8.585 -9.235 1.00 0.00 H new ATOM 0 HA VAL A 35 4.225 8.139 -9.776 1.00 0.00 H new ATOM 0 HB VAL A 35 3.100 9.787 -8.141 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.010 9.064 -5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.880 8.142 -6.810 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.413 7.404 -6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.117 9.937 -6.738 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.609 8.314 -7.278 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.521 9.653 -8.447 1.00 0.00 H new ATOM 493 N THR A 36 2.900 5.823 -7.832 1.00 0.00 N ATOM 494 CA THR A 36 3.107 4.490 -7.280 1.00 0.00 C ATOM 495 C THR A 36 3.595 3.521 -8.351 1.00 0.00 C ATOM 496 O THR A 36 4.614 2.854 -8.178 1.00 0.00 O ATOM 497 CB THR A 36 1.814 3.935 -6.652 1.00 0.00 C ATOM 498 OG1 THR A 36 1.418 4.751 -5.544 1.00 0.00 O ATOM 499 CG2 THR A 36 2.011 2.500 -6.187 1.00 0.00 C ATOM 0 H THR A 36 1.963 6.199 -7.685 1.00 0.00 H new ATOM 0 HA THR A 36 3.868 4.583 -6.505 1.00 0.00 H new ATOM 0 HB THR A 36 1.032 3.950 -7.411 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.560 4.433 -5.194 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.085 2.130 -5.747 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.284 1.876 -7.038 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.806 2.465 -5.442 1.00 0.00 H new ATOM 507 N GLU A 37 2.861 3.450 -9.457 1.00 0.00 N ATOM 508 CA GLU A 37 3.221 2.561 -10.555 1.00 0.00 C ATOM 509 C GLU A 37 4.663 2.798 -10.997 1.00 0.00 C ATOM 510 O GLU A 37 5.462 1.865 -11.064 1.00 0.00 O ATOM 511 CB GLU A 37 2.274 2.768 -11.739 1.00 0.00 C ATOM 512 CG GLU A 37 0.997 1.949 -11.647 1.00 0.00 C ATOM 513 CD GLU A 37 0.432 1.593 -13.008 1.00 0.00 C ATOM 514 OE1 GLU A 37 1.099 0.837 -13.746 1.00 0.00 O ATOM 515 OE2 GLU A 37 -0.675 2.069 -13.335 1.00 0.00 O ATOM 0 H GLU A 37 2.015 3.997 -9.616 1.00 0.00 H new ATOM 0 HA GLU A 37 3.131 1.534 -10.201 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.014 3.825 -11.805 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.796 2.510 -12.660 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.197 1.034 -11.090 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.251 2.509 -11.083 1.00 0.00 H new ATOM 522 N GLN A 38 4.985 4.052 -11.296 1.00 0.00 N ATOM 523 CA GLN A 38 6.330 4.411 -11.732 1.00 0.00 C ATOM 524 C GLN A 38 7.380 3.834 -10.788 1.00 0.00 C ATOM 525 O GLN A 38 8.411 3.325 -11.228 1.00 0.00 O ATOM 526 CB GLN A 38 6.475 5.931 -11.808 1.00 0.00 C ATOM 527 CG GLN A 38 5.648 6.567 -12.913 1.00 0.00 C ATOM 528 CD GLN A 38 6.111 6.159 -14.297 1.00 0.00 C ATOM 529 OE1 GLN A 38 7.255 6.406 -14.680 1.00 0.00 O ATOM 530 NE2 GLN A 38 5.222 5.529 -15.057 1.00 0.00 N ATOM 0 H GLN A 38 4.334 4.836 -11.245 1.00 0.00 H new ATOM 0 HA GLN A 38 6.489 3.988 -12.724 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.182 6.364 -10.851 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.525 6.180 -11.962 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.602 6.286 -12.786 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.700 7.652 -12.822 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.285 5.345 -14.699 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.477 5.229 -15.998 1.00 0.00 H new ATOM 539 N ILE A 39 7.111 3.917 -9.490 1.00 0.00 N ATOM 540 CA ILE A 39 8.033 3.403 -8.485 1.00 0.00 C ATOM 541 C ILE A 39 8.098 1.880 -8.526 1.00 0.00 C ATOM 542 O ILE A 39 9.167 1.289 -8.369 1.00 0.00 O ATOM 543 CB ILE A 39 7.627 3.849 -7.067 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.596 5.377 -6.980 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.586 3.274 -6.036 1.00 0.00 C ATOM 546 CD1 ILE A 39 8.967 6.013 -7.037 1.00 0.00 C ATOM 0 H ILE A 39 6.262 4.335 -9.109 1.00 0.00 H new ATOM 0 HA ILE A 39 9.015 3.813 -8.720 1.00 0.00 H new ATOM 0 HB ILE A 39 6.627 3.471 -6.855 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.989 5.767 -7.797 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.107 5.670 -6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.286 3.598 -5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.564 2.185 -6.086 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.597 3.626 -6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.869 7.096 -6.970 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.571 5.651 -6.205 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.451 5.750 -7.977 1.00 0.00 H new ATOM 558 N LEU A 40 6.948 1.250 -8.741 1.00 0.00 N ATOM 559 CA LEU A 40 6.874 -0.206 -8.806 1.00 0.00 C ATOM 560 C LEU A 40 7.779 -0.748 -9.908 1.00 0.00 C ATOM 561 O LEU A 40 8.542 -1.689 -9.690 1.00 0.00 O ATOM 562 CB LEU A 40 5.431 -0.652 -9.049 1.00 0.00 C ATOM 563 CG LEU A 40 4.479 -0.521 -7.861 1.00 0.00 C ATOM 564 CD1 LEU A 40 3.060 -0.883 -8.271 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.943 -1.397 -6.706 1.00 0.00 C ATOM 0 H LEU A 40 6.055 1.724 -8.873 1.00 0.00 H new ATOM 0 HA LEU A 40 7.216 -0.606 -7.851 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.027 -0.071 -9.878 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.443 -1.695 -9.366 1.00 0.00 H new ATOM 0 HG LEU A 40 4.485 0.517 -7.528 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.397 -0.784 -7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.729 -0.213 -9.065 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.036 -1.912 -8.631 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.253 -1.291 -5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.967 -2.439 -7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.941 -1.090 -6.395 1.00 0.00 H new ATOM 577 N ALA A 41 7.689 -0.148 -11.090 1.00 0.00 N ATOM 578 CA ALA A 41 8.502 -0.568 -12.224 1.00 0.00 C ATOM 579 C ALA A 41 9.987 -0.368 -11.939 1.00 0.00 C ATOM 580 O ALA A 41 10.841 -0.787 -12.720 1.00 0.00 O ATOM 581 CB ALA A 41 8.096 0.195 -13.477 1.00 0.00 C ATOM 0 H ALA A 41 7.061 0.631 -11.287 1.00 0.00 H new ATOM 0 HA ALA A 41 8.330 -1.632 -12.388 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.712 -0.129 -14.316 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.047 -0.002 -13.699 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.238 1.263 -13.314 1.00 0.00 H new ATOM 587 N LYS A 42 10.287 0.275 -10.816 1.00 0.00 N ATOM 588 CA LYS A 42 11.669 0.530 -10.426 1.00 0.00 C ATOM 589 C LYS A 42 12.088 -0.383 -9.279 1.00 0.00 C ATOM 590 O LYS A 42 13.252 -0.772 -9.177 1.00 0.00 O ATOM 591 CB LYS A 42 11.843 1.994 -10.017 1.00 0.00 C ATOM 592 CG LYS A 42 11.624 2.974 -11.157 1.00 0.00 C ATOM 593 CD LYS A 42 11.924 4.402 -10.730 1.00 0.00 C ATOM 594 CE LYS A 42 10.836 4.951 -9.821 1.00 0.00 C ATOM 595 NZ LYS A 42 10.950 6.426 -9.648 1.00 0.00 N ATOM 0 H LYS A 42 9.592 0.629 -10.159 1.00 0.00 H new ATOM 0 HA LYS A 42 12.307 0.321 -11.285 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.144 2.223 -9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.847 2.134 -9.617 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.262 2.703 -11.998 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.593 2.906 -11.504 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.883 4.435 -10.213 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.016 5.035 -11.612 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.858 4.709 -10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.897 4.465 -8.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.412 6.634 -8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.516 6.824 -10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.001 6.851 -9.659 1.00 0.00 H new ATOM 609 N ILE A 43 11.134 -0.721 -8.419 1.00 0.00 N ATOM 610 CA ILE A 43 11.405 -1.590 -7.281 1.00 0.00 C ATOM 611 C ILE A 43 11.556 -3.042 -7.721 1.00 0.00 C ATOM 612 O ILE A 43 10.719 -3.589 -8.440 1.00 0.00 O ATOM 613 CB ILE A 43 10.287 -1.500 -6.225 1.00 0.00 C ATOM 614 CG1 ILE A 43 10.134 -0.058 -5.735 1.00 0.00 C ATOM 615 CG2 ILE A 43 10.583 -2.432 -5.059 1.00 0.00 C ATOM 616 CD1 ILE A 43 8.794 0.222 -5.092 1.00 0.00 C ATOM 0 H ILE A 43 10.166 -0.406 -8.489 1.00 0.00 H new ATOM 0 HA ILE A 43 12.341 -1.247 -6.839 1.00 0.00 H new ATOM 0 HB ILE A 43 9.348 -1.810 -6.684 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.925 0.159 -5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.273 0.620 -6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.784 -2.357 -4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.648 -3.458 -5.421 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.530 -2.149 -4.599 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.756 1.262 -4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.998 0.037 -5.814 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.661 -0.431 -4.230 1.00 0.00 H new ATOM 628 N PRO A 44 12.647 -3.685 -7.279 1.00 0.00 N ATOM 629 CA PRO A 44 12.933 -5.083 -7.614 1.00 0.00 C ATOM 630 C PRO A 44 11.969 -6.050 -6.934 1.00 0.00 C ATOM 631 O PRO A 44 11.182 -5.655 -6.074 1.00 0.00 O ATOM 632 CB PRO A 44 14.356 -5.290 -7.089 1.00 0.00 C ATOM 633 CG PRO A 44 14.509 -4.283 -6.002 1.00 0.00 C ATOM 634 CD PRO A 44 13.686 -3.095 -6.419 1.00 0.00 C ATOM 0 HA PRO A 44 12.825 -5.277 -8.681 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.495 -6.303 -6.712 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.094 -5.138 -7.876 1.00 0.00 H new ATOM 0 HG2 PRO A 44 14.163 -4.682 -5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.555 -4.006 -5.871 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.253 -2.584 -5.559 1.00 0.00 H new ATOM 0 HD3 PRO A 44 14.285 -2.361 -6.958 1.00 0.00 H new ATOM 642 N SER A 45 12.037 -7.318 -7.325 1.00 0.00 N ATOM 643 CA SER A 45 11.168 -8.341 -6.756 1.00 0.00 C ATOM 644 C SER A 45 11.818 -8.991 -5.539 1.00 0.00 C ATOM 645 O SER A 45 11.152 -9.659 -4.748 1.00 0.00 O ATOM 646 CB SER A 45 10.843 -9.407 -7.805 1.00 0.00 C ATOM 647 OG SER A 45 10.479 -8.813 -9.039 1.00 0.00 O ATOM 0 H SER A 45 12.685 -7.662 -8.034 1.00 0.00 H new ATOM 0 HA SER A 45 10.243 -7.860 -6.439 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.708 -10.054 -7.950 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.029 -10.038 -7.447 1.00 0.00 H new ATOM 0 HG SER A 45 10.278 -9.515 -9.693 1.00 0.00 H new ATOM 653 N GLU A 46 13.125 -8.790 -5.396 1.00 0.00 N ATOM 654 CA GLU A 46 13.866 -9.358 -4.276 1.00 0.00 C ATOM 655 C GLU A 46 13.210 -8.991 -2.948 1.00 0.00 C ATOM 656 O GLU A 46 12.769 -7.859 -2.753 1.00 0.00 O ATOM 657 CB GLU A 46 15.316 -8.867 -4.294 1.00 0.00 C ATOM 658 CG GLU A 46 16.137 -9.438 -5.437 1.00 0.00 C ATOM 659 CD GLU A 46 17.607 -9.077 -5.337 1.00 0.00 C ATOM 660 OE1 GLU A 46 17.996 -8.017 -5.870 1.00 0.00 O ATOM 661 OE2 GLU A 46 18.367 -9.856 -4.724 1.00 0.00 O ATOM 0 H GLU A 46 13.691 -8.239 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 46 13.856 -10.443 -4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.322 -7.779 -4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.792 -9.130 -3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.033 -10.523 -5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.740 -9.071 -6.383 1.00 0.00 H new ATOM 668 N ASN A 47 13.149 -9.958 -2.037 1.00 0.00 N ATOM 669 CA ASN A 47 12.547 -9.738 -0.728 1.00 0.00 C ATOM 670 C ASN A 47 13.367 -8.744 0.089 1.00 0.00 C ATOM 671 O ASN A 47 14.238 -9.134 0.866 1.00 0.00 O ATOM 672 CB ASN A 47 12.426 -11.061 0.030 1.00 0.00 C ATOM 673 CG ASN A 47 13.771 -11.726 0.251 1.00 0.00 C ATOM 674 OD1 ASN A 47 14.650 -11.675 -0.610 1.00 0.00 O ATOM 675 ND2 ASN A 47 13.937 -12.354 1.409 1.00 0.00 N ATOM 0 H ASN A 47 13.509 -10.901 -2.182 1.00 0.00 H new ATOM 0 HA ASN A 47 11.551 -9.322 -0.880 1.00 0.00 H new ATOM 0 HB2 ASN A 47 11.950 -10.882 0.994 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.776 -11.737 -0.526 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.821 -12.820 1.614 1.00 0.00 H new ATOM 0 HD22 ASN A 47 13.181 -12.371 2.093 1.00 0.00 H new ATOM 682 N ASN A 48 13.082 -7.459 -0.092 1.00 0.00 N ATOM 683 CA ASN A 48 13.793 -6.409 0.628 1.00 0.00 C ATOM 684 C ASN A 48 13.033 -5.088 0.555 1.00 0.00 C ATOM 685 O ASN A 48 12.565 -4.686 -0.510 1.00 0.00 O ATOM 686 CB ASN A 48 15.201 -6.232 0.055 1.00 0.00 C ATOM 687 CG ASN A 48 15.183 -5.791 -1.396 1.00 0.00 C ATOM 688 OD1 ASN A 48 15.171 -6.618 -2.308 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.180 -4.482 -1.617 1.00 0.00 N ATOM 0 H ASN A 48 12.363 -7.119 -0.731 1.00 0.00 H new ATOM 0 HA ASN A 48 13.868 -6.707 1.674 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.742 -5.496 0.649 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.746 -7.172 0.139 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.167 -4.126 -2.573 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.190 -3.832 -0.831 1.00 0.00 H new ATOM 696 N LYS A 49 12.913 -4.417 1.696 1.00 0.00 N ATOM 697 CA LYS A 49 12.212 -3.141 1.763 1.00 0.00 C ATOM 698 C LYS A 49 13.199 -1.983 1.871 1.00 0.00 C ATOM 699 O LYS A 49 14.383 -2.186 2.142 1.00 0.00 O ATOM 700 CB LYS A 49 11.256 -3.123 2.958 1.00 0.00 C ATOM 701 CG LYS A 49 11.912 -3.523 4.268 1.00 0.00 C ATOM 702 CD LYS A 49 11.805 -5.020 4.510 1.00 0.00 C ATOM 703 CE LYS A 49 12.879 -5.506 5.472 1.00 0.00 C ATOM 704 NZ LYS A 49 14.215 -5.582 4.820 1.00 0.00 N ATOM 0 H LYS A 49 13.293 -4.736 2.587 1.00 0.00 H new ATOM 0 HA LYS A 49 11.638 -3.022 0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.837 -2.122 3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.424 -3.798 2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.962 -3.230 4.255 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.441 -2.986 5.091 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.820 -5.255 4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.896 -5.551 3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.931 -4.833 6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.605 -6.489 5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.877 -6.088 5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.132 -6.090 3.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.571 -4.621 4.645 1.00 0.00 H new ATOM 718 N LEU A 50 12.704 -0.768 1.659 1.00 0.00 N ATOM 719 CA LEU A 50 13.542 0.423 1.735 1.00 0.00 C ATOM 720 C LEU A 50 12.690 1.683 1.845 1.00 0.00 C ATOM 721 O LEU A 50 11.627 1.783 1.230 1.00 0.00 O ATOM 722 CB LEU A 50 14.448 0.513 0.505 1.00 0.00 C ATOM 723 CG LEU A 50 15.122 1.864 0.264 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.447 1.678 -0.458 1.00 0.00 C ATOM 725 CD2 LEU A 50 14.205 2.784 -0.528 1.00 0.00 C ATOM 0 H LEU A 50 11.727 -0.582 1.433 1.00 0.00 H new ATOM 0 HA LEU A 50 14.160 0.345 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.224 -0.247 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.857 0.262 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 50 15.321 2.327 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.912 2.650 -0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 50 17.107 1.057 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.273 1.194 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.701 3.741 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.974 2.327 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.281 2.944 0.028 1.00 0.00 H new ATOM 737 N THR A 51 13.163 2.645 2.631 1.00 0.00 N ATOM 738 CA THR A 51 12.445 3.899 2.821 1.00 0.00 C ATOM 739 C THR A 51 12.725 4.871 1.681 1.00 0.00 C ATOM 740 O THR A 51 13.820 5.424 1.578 1.00 0.00 O ATOM 741 CB THR A 51 12.826 4.568 4.156 1.00 0.00 C ATOM 742 OG1 THR A 51 12.706 3.626 5.227 1.00 0.00 O ATOM 743 CG2 THR A 51 11.937 5.772 4.431 1.00 0.00 C ATOM 0 H THR A 51 14.041 2.579 3.146 1.00 0.00 H new ATOM 0 HA THR A 51 11.383 3.656 2.835 1.00 0.00 H new ATOM 0 HB THR A 51 13.859 4.908 4.085 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.951 4.058 6.072 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.225 6.228 5.378 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.052 6.500 3.628 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.896 5.452 4.484 1.00 0.00 H new ATOM 751 N TYR A 52 11.728 5.076 0.826 1.00 0.00 N ATOM 752 CA TYR A 52 11.868 5.981 -0.308 1.00 0.00 C ATOM 753 C TYR A 52 11.164 7.307 -0.038 1.00 0.00 C ATOM 754 O TYR A 52 9.950 7.348 0.162 1.00 0.00 O ATOM 755 CB TYR A 52 11.300 5.337 -1.574 1.00 0.00 C ATOM 756 CG TYR A 52 11.984 5.791 -2.844 1.00 0.00 C ATOM 757 CD1 TYR A 52 11.986 7.130 -3.214 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.627 4.881 -3.674 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.609 7.549 -4.374 1.00 0.00 C ATOM 760 CE2 TYR A 52 13.253 5.291 -4.834 1.00 0.00 C ATOM 761 CZ TYR A 52 13.242 6.626 -5.180 1.00 0.00 C ATOM 762 OH TYR A 52 13.863 7.039 -6.336 1.00 0.00 O ATOM 0 H TYR A 52 10.815 4.627 0.897 1.00 0.00 H new ATOM 0 HA TYR A 52 12.930 6.178 -0.454 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.388 4.254 -1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.237 5.566 -1.642 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.492 7.856 -2.584 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.637 3.835 -3.407 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.600 8.594 -4.648 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.749 4.570 -5.467 1.00 0.00 H new ATOM 0 HH TYR A 52 14.261 6.266 -6.788 1.00 0.00 H new ATOM 772 N SER A 53 11.935 8.389 -0.034 1.00 0.00 N ATOM 773 CA SER A 53 11.387 9.717 0.214 1.00 0.00 C ATOM 774 C SER A 53 11.169 10.469 -1.095 1.00 0.00 C ATOM 775 O SER A 53 12.124 10.839 -1.778 1.00 0.00 O ATOM 776 CB SER A 53 12.322 10.516 1.124 1.00 0.00 C ATOM 777 OG SER A 53 13.534 10.831 0.460 1.00 0.00 O ATOM 0 H SER A 53 12.941 8.372 -0.200 1.00 0.00 H new ATOM 0 HA SER A 53 10.423 9.598 0.709 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.828 11.434 1.441 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.536 9.941 2.025 1.00 0.00 H new ATOM 0 HG SER A 53 13.388 10.823 -0.509 1.00 0.00 H new ATOM 783 N HIS A 54 9.904 10.691 -1.440 1.00 0.00 N ATOM 784 CA HIS A 54 9.559 11.399 -2.667 1.00 0.00 C ATOM 785 C HIS A 54 8.789 12.679 -2.358 1.00 0.00 C ATOM 786 O HIS A 54 7.802 12.659 -1.624 1.00 0.00 O ATOM 787 CB HIS A 54 8.729 10.499 -3.584 1.00 0.00 C ATOM 788 CG HIS A 54 8.682 10.972 -5.004 1.00 0.00 C ATOM 789 ND1 HIS A 54 9.788 11.447 -5.676 1.00 0.00 N ATOM 790 CD2 HIS A 54 7.653 11.040 -5.881 1.00 0.00 C ATOM 791 CE1 HIS A 54 9.442 11.787 -6.905 1.00 0.00 C ATOM 792 NE2 HIS A 54 8.151 11.550 -7.055 1.00 0.00 N ATOM 0 H HIS A 54 9.101 10.391 -0.887 1.00 0.00 H new ATOM 0 HA HIS A 54 10.485 11.667 -3.175 1.00 0.00 H new ATOM 0 HB2 HIS A 54 9.141 9.490 -3.559 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.712 10.438 -3.196 1.00 0.00 H new ATOM 0 HD2 HIS A 54 6.631 10.748 -5.693 1.00 0.00 H new ATOM 0 HE1 HIS A 54 10.102 12.190 -7.659 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.612 11.718 -7.904 1.00 0.00 H new ATOM 801 N GLY A 55 9.249 13.792 -2.922 1.00 0.00 N ATOM 802 CA GLY A 55 8.592 15.066 -2.694 1.00 0.00 C ATOM 803 C GLY A 55 8.281 15.303 -1.229 1.00 0.00 C ATOM 804 O GLY A 55 9.160 15.190 -0.376 1.00 0.00 O ATOM 0 H GLY A 55 10.065 13.834 -3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.228 15.871 -3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.667 15.103 -3.269 1.00 0.00 H new ATOM 808 N ASN A 56 7.028 15.636 -0.938 1.00 0.00 N ATOM 809 CA ASN A 56 6.605 15.893 0.434 1.00 0.00 C ATOM 810 C ASN A 56 5.768 14.736 0.971 1.00 0.00 C ATOM 811 O ASN A 56 4.765 14.945 1.653 1.00 0.00 O ATOM 812 CB ASN A 56 5.802 17.194 0.507 1.00 0.00 C ATOM 813 CG ASN A 56 6.528 18.358 -0.139 1.00 0.00 C ATOM 814 OD1 ASN A 56 6.700 18.399 -1.357 1.00 0.00 O ATOM 815 ND2 ASN A 56 6.960 19.312 0.678 1.00 0.00 N ATOM 0 H ASN A 56 6.288 15.734 -1.633 1.00 0.00 H new ATOM 0 HA ASN A 56 7.498 15.989 1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.839 17.052 0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.595 17.432 1.550 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.456 20.120 0.302 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.795 19.237 1.682 1.00 0.00 H new ATOM 822 N TYR A 57 6.189 13.515 0.659 1.00 0.00 N ATOM 823 CA TYR A 57 5.478 12.324 1.109 1.00 0.00 C ATOM 824 C TYR A 57 6.430 11.139 1.241 1.00 0.00 C ATOM 825 O TYR A 57 7.401 11.021 0.493 1.00 0.00 O ATOM 826 CB TYR A 57 4.350 11.980 0.135 1.00 0.00 C ATOM 827 CG TYR A 57 3.150 12.893 0.250 1.00 0.00 C ATOM 828 CD1 TYR A 57 3.083 14.079 -0.470 1.00 0.00 C ATOM 829 CD2 TYR A 57 2.084 12.570 1.081 1.00 0.00 C ATOM 830 CE1 TYR A 57 1.990 14.916 -0.367 1.00 0.00 C ATOM 831 CE2 TYR A 57 0.986 13.401 1.189 1.00 0.00 C ATOM 832 CZ TYR A 57 0.943 14.573 0.463 1.00 0.00 C ATOM 833 OH TYR A 57 -0.148 15.404 0.569 1.00 0.00 O ATOM 0 H TYR A 57 7.018 13.324 0.097 1.00 0.00 H new ATOM 0 HA TYR A 57 5.051 12.535 2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.735 12.026 -0.884 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.032 10.952 0.309 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.900 14.351 -1.122 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.115 11.654 1.652 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.955 15.835 -0.933 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.165 13.134 1.839 1.00 0.00 H new ATOM 0 HH TYR A 57 -0.796 15.016 1.194 1.00 0.00 H new ATOM 843 N LEU A 58 6.144 10.263 2.198 1.00 0.00 N ATOM 844 CA LEU A 58 6.973 9.086 2.430 1.00 0.00 C ATOM 845 C LEU A 58 6.421 7.875 1.685 1.00 0.00 C ATOM 846 O LEU A 58 5.212 7.641 1.670 1.00 0.00 O ATOM 847 CB LEU A 58 7.055 8.783 3.928 1.00 0.00 C ATOM 848 CG LEU A 58 7.620 9.898 4.808 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.442 9.558 6.280 1.00 0.00 C ATOM 850 CD2 LEU A 58 9.087 10.140 4.488 1.00 0.00 C ATOM 0 H LEU A 58 5.344 10.346 2.826 1.00 0.00 H new ATOM 0 HA LEU A 58 7.973 9.297 2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.054 8.538 4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.669 7.893 4.065 1.00 0.00 H new ATOM 0 HG LEU A 58 7.068 10.814 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.850 10.363 6.891 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.381 9.437 6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.967 8.630 6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.472 10.937 5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.654 9.227 4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.188 10.430 3.442 1.00 0.00 H new ATOM 862 N PHE A 59 7.314 7.108 1.069 1.00 0.00 N ATOM 863 CA PHE A 59 6.916 5.920 0.322 1.00 0.00 C ATOM 864 C PHE A 59 7.467 4.657 0.976 1.00 0.00 C ATOM 865 O PHE A 59 8.623 4.288 0.766 1.00 0.00 O ATOM 866 CB PHE A 59 7.405 6.014 -1.125 1.00 0.00 C ATOM 867 CG PHE A 59 6.496 6.811 -2.015 1.00 0.00 C ATOM 868 CD1 PHE A 59 6.151 8.113 -1.688 1.00 0.00 C ATOM 869 CD2 PHE A 59 5.986 6.259 -3.179 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.314 8.848 -2.505 1.00 0.00 C ATOM 871 CE2 PHE A 59 5.148 6.991 -4.000 1.00 0.00 C ATOM 872 CZ PHE A 59 4.813 8.287 -3.663 1.00 0.00 C ATOM 0 H PHE A 59 8.318 7.287 1.072 1.00 0.00 H new ATOM 0 HA PHE A 59 5.827 5.865 0.327 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.397 6.465 -1.136 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.507 5.008 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.541 8.558 -0.784 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.246 5.246 -3.448 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.052 9.861 -2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.756 6.549 -4.904 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.160 8.861 -4.304 1.00 0.00 H new ATOM 882 N HIS A 60 6.630 3.997 1.772 1.00 0.00 N ATOM 883 CA HIS A 60 7.032 2.774 2.458 1.00 0.00 C ATOM 884 C HIS A 60 6.561 1.541 1.692 1.00 0.00 C ATOM 885 O HIS A 60 5.361 1.285 1.587 1.00 0.00 O ATOM 886 CB HIS A 60 6.469 2.752 3.879 1.00 0.00 C ATOM 887 CG HIS A 60 6.409 4.105 4.519 1.00 0.00 C ATOM 888 ND1 HIS A 60 5.351 4.892 4.827 1.00 0.00 N flip ATOM 889 CD2 HIS A 60 7.531 4.799 4.920 1.00 0.00 C flip ATOM 890 CE1 HIS A 60 5.849 6.035 5.403 1.00 0.00 C flip ATOM 891 NE2 HIS A 60 7.167 5.954 5.448 1.00 0.00 N flip ATOM 0 H HIS A 60 5.670 4.289 1.957 1.00 0.00 H new ATOM 0 HA HIS A 60 8.121 2.756 2.507 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.467 2.324 3.858 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.083 2.095 4.494 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.368 4.676 4.662 1.00 0.00 H new ATOM 0 HD2 HIS A 60 8.549 4.452 4.818 1.00 0.00 H new ATOM 0 HE1 HIS A 60 5.259 6.866 5.761 1.00 0.00 H new ATOM 900 N TYR A 61 7.512 0.782 1.159 1.00 0.00 N ATOM 901 CA TYR A 61 7.193 -0.422 0.400 1.00 0.00 C ATOM 902 C TYR A 61 7.808 -1.656 1.054 1.00 0.00 C ATOM 903 O TYR A 61 8.973 -1.645 1.453 1.00 0.00 O ATOM 904 CB TYR A 61 7.694 -0.290 -1.039 1.00 0.00 C ATOM 905 CG TYR A 61 9.105 -0.794 -1.238 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.376 -2.155 -1.300 1.00 0.00 C ATOM 907 CD2 TYR A 61 10.168 0.092 -1.364 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.664 -2.620 -1.481 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.460 -0.363 -1.546 1.00 0.00 C ATOM 910 CZ TYR A 61 11.703 -1.720 -1.604 1.00 0.00 C ATOM 911 OH TYR A 61 12.987 -2.179 -1.785 1.00 0.00 O ATOM 0 H TYR A 61 8.510 0.979 1.238 1.00 0.00 H new ATOM 0 HA TYR A 61 6.109 -0.540 0.391 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.024 -0.840 -1.700 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.646 0.757 -1.337 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.565 -2.862 -1.205 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.981 1.155 -1.319 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.857 -3.682 -1.526 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.275 0.339 -1.642 1.00 0.00 H new ATOM 0 HH TYR A 61 13.067 -3.082 -1.413 1.00 0.00 H new ATOM 921 N ILE A 62 7.016 -2.718 1.158 1.00 0.00 N ATOM 922 CA ILE A 62 7.482 -3.961 1.761 1.00 0.00 C ATOM 923 C ILE A 62 7.336 -5.130 0.792 1.00 0.00 C ATOM 924 O ILE A 62 6.248 -5.388 0.275 1.00 0.00 O ATOM 925 CB ILE A 62 6.712 -4.281 3.055 1.00 0.00 C ATOM 926 CG1 ILE A 62 6.939 -3.182 4.095 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.141 -5.634 3.605 1.00 0.00 C ATOM 928 CD1 ILE A 62 6.212 -3.424 5.399 1.00 0.00 C ATOM 0 H ILE A 62 6.050 -2.743 0.833 1.00 0.00 H new ATOM 0 HA ILE A 62 8.536 -3.821 2.001 1.00 0.00 H new ATOM 0 HB ILE A 62 5.647 -4.324 2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.007 -3.097 4.294 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.615 -2.228 3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.588 -5.847 4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.934 -6.409 2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.209 -5.616 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.419 -2.605 6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.139 -3.479 5.213 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.553 -4.362 5.837 1.00 0.00 H new ATOM 940 N CYS A 63 8.436 -5.834 0.553 1.00 0.00 N ATOM 941 CA CYS A 63 8.431 -6.977 -0.352 1.00 0.00 C ATOM 942 C CYS A 63 8.205 -8.276 0.414 1.00 0.00 C ATOM 943 O CYS A 63 8.716 -8.453 1.519 1.00 0.00 O ATOM 944 CB CYS A 63 9.749 -7.049 -1.125 1.00 0.00 C ATOM 945 SG CYS A 63 9.665 -8.035 -2.638 1.00 0.00 S ATOM 0 H CYS A 63 9.343 -5.633 0.974 1.00 0.00 H new ATOM 0 HA CYS A 63 7.611 -6.846 -1.058 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.064 -6.037 -1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.517 -7.467 -0.474 1.00 0.00 H new ATOM 0 HG CYS A 63 10.850 -8.125 -3.164 1.00 0.00 H new ATOM 951 N GLN A 64 7.434 -9.182 -0.181 1.00 0.00 N ATOM 952 CA GLN A 64 7.139 -10.464 0.447 1.00 0.00 C ATOM 953 C GLN A 64 6.373 -11.374 -0.507 1.00 0.00 C ATOM 954 O GLN A 64 5.331 -10.994 -1.040 1.00 0.00 O ATOM 955 CB GLN A 64 6.331 -10.254 1.729 1.00 0.00 C ATOM 956 CG GLN A 64 6.260 -11.489 2.613 1.00 0.00 C ATOM 957 CD GLN A 64 5.452 -12.608 1.987 1.00 0.00 C ATOM 958 OE1 GLN A 64 5.878 -13.763 1.970 1.00 0.00 O ATOM 959 NE2 GLN A 64 4.276 -12.271 1.468 1.00 0.00 N ATOM 0 H GLN A 64 7.003 -9.051 -1.096 1.00 0.00 H new ATOM 0 HA GLN A 64 8.085 -10.944 0.697 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.773 -9.436 2.297 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.319 -9.948 1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.270 -11.845 2.816 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.818 -11.220 3.572 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.962 -11.301 1.504 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.688 -12.982 1.034 1.00 0.00 H new ATOM 968 N ASP A 65 6.896 -12.577 -0.718 1.00 0.00 N ATOM 969 CA ASP A 65 6.261 -13.542 -1.607 1.00 0.00 C ATOM 970 C ASP A 65 6.032 -12.938 -2.989 1.00 0.00 C ATOM 971 O ASP A 65 5.034 -13.231 -3.647 1.00 0.00 O ATOM 972 CB ASP A 65 4.932 -14.014 -1.017 1.00 0.00 C ATOM 973 CG ASP A 65 4.325 -15.161 -1.801 1.00 0.00 C ATOM 974 OD1 ASP A 65 4.717 -16.321 -1.553 1.00 0.00 O ATOM 975 OD2 ASP A 65 3.460 -14.900 -2.662 1.00 0.00 O ATOM 0 H ASP A 65 7.759 -12.907 -0.285 1.00 0.00 H new ATOM 0 HA ASP A 65 6.928 -14.398 -1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.087 -14.326 0.016 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.230 -13.180 -0.997 1.00 0.00 H new ATOM 980 N ARG A 66 6.962 -12.094 -3.422 1.00 0.00 N ATOM 981 CA ARG A 66 6.860 -11.447 -4.725 1.00 0.00 C ATOM 982 C ARG A 66 5.709 -10.446 -4.746 1.00 0.00 C ATOM 983 O ARG A 66 5.154 -10.146 -5.804 1.00 0.00 O ATOM 984 CB ARG A 66 6.662 -12.493 -5.823 1.00 0.00 C ATOM 985 CG ARG A 66 7.677 -13.623 -5.778 1.00 0.00 C ATOM 986 CD ARG A 66 9.014 -13.196 -6.364 1.00 0.00 C ATOM 987 NE ARG A 66 10.008 -14.263 -6.292 1.00 0.00 N ATOM 988 CZ ARG A 66 11.318 -14.053 -6.367 1.00 0.00 C ATOM 989 NH1 ARG A 66 11.788 -12.821 -6.514 1.00 0.00 N ATOM 990 NH2 ARG A 66 12.161 -15.075 -6.293 1.00 0.00 N ATOM 0 H ARG A 66 7.795 -11.842 -2.890 1.00 0.00 H new ATOM 0 HA ARG A 66 7.790 -10.909 -4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.660 -12.913 -5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.720 -12.003 -6.795 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.817 -13.946 -4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.293 -14.480 -6.331 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.876 -12.899 -7.404 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.382 -12.321 -5.828 1.00 0.00 H new ATOM 0 HE ARG A 66 9.679 -15.222 -6.178 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.143 -12.032 -6.570 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.794 -12.662 -6.571 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.804 -16.023 -6.178 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.166 -14.912 -6.351 1.00 0.00 H new ATOM 1004 N ILE A 67 5.354 -9.935 -3.572 1.00 0.00 N ATOM 1005 CA ILE A 67 4.269 -8.968 -3.457 1.00 0.00 C ATOM 1006 C ILE A 67 4.736 -7.699 -2.751 1.00 0.00 C ATOM 1007 O ILE A 67 5.216 -7.747 -1.619 1.00 0.00 O ATOM 1008 CB ILE A 67 3.070 -9.557 -2.690 1.00 0.00 C ATOM 1009 CG1 ILE A 67 2.784 -10.983 -3.164 1.00 0.00 C ATOM 1010 CG2 ILE A 67 1.842 -8.677 -2.871 1.00 0.00 C ATOM 1011 CD1 ILE A 67 2.185 -11.050 -4.552 1.00 0.00 C ATOM 0 H ILE A 67 5.802 -10.174 -2.687 1.00 0.00 H new ATOM 0 HA ILE A 67 3.956 -8.722 -4.472 1.00 0.00 H new ATOM 0 HB ILE A 67 3.317 -9.590 -1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.712 -11.555 -3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.103 -11.462 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.003 -9.106 -2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.051 -7.678 -2.490 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.591 -8.616 -3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.009 -12.091 -4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.240 -10.506 -4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.874 -10.601 -5.268 1.00 0.00 H new ATOM 1023 N VAL A 68 4.590 -6.565 -3.428 1.00 0.00 N ATOM 1024 CA VAL A 68 4.994 -5.282 -2.866 1.00 0.00 C ATOM 1025 C VAL A 68 3.786 -4.497 -2.365 1.00 0.00 C ATOM 1026 O VAL A 68 2.724 -4.507 -2.988 1.00 0.00 O ATOM 1027 CB VAL A 68 5.753 -4.429 -3.900 1.00 0.00 C ATOM 1028 CG1 VAL A 68 6.161 -3.094 -3.296 1.00 0.00 C ATOM 1029 CG2 VAL A 68 6.969 -5.182 -4.420 1.00 0.00 C ATOM 0 H VAL A 68 4.195 -6.509 -4.367 1.00 0.00 H new ATOM 0 HA VAL A 68 5.657 -5.499 -2.028 1.00 0.00 H new ATOM 0 HB VAL A 68 5.088 -4.231 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.696 -2.506 -4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.271 -2.552 -2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.809 -3.266 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.494 -4.566 -5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.638 -5.411 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.647 -6.110 -4.893 1.00 0.00 H new ATOM 1039 N TYR A 69 3.957 -3.816 -1.237 1.00 0.00 N ATOM 1040 CA TYR A 69 2.880 -3.027 -0.651 1.00 0.00 C ATOM 1041 C TYR A 69 3.322 -1.584 -0.428 1.00 0.00 C ATOM 1042 O TYR A 69 3.973 -1.268 0.570 1.00 0.00 O ATOM 1043 CB TYR A 69 2.429 -3.644 0.674 1.00 0.00 C ATOM 1044 CG TYR A 69 2.093 -5.115 0.573 1.00 0.00 C ATOM 1045 CD1 TYR A 69 3.069 -6.050 0.251 1.00 0.00 C ATOM 1046 CD2 TYR A 69 0.800 -5.570 0.798 1.00 0.00 C ATOM 1047 CE1 TYR A 69 2.767 -7.395 0.156 1.00 0.00 C ATOM 1048 CE2 TYR A 69 0.489 -6.913 0.708 1.00 0.00 C ATOM 1049 CZ TYR A 69 1.475 -7.821 0.386 1.00 0.00 C ATOM 1050 OH TYR A 69 1.169 -9.160 0.294 1.00 0.00 O ATOM 0 H TYR A 69 4.830 -3.795 -0.711 1.00 0.00 H new ATOM 0 HA TYR A 69 2.042 -3.029 -1.348 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.217 -3.510 1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.555 -3.104 1.038 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.082 -5.720 0.072 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.024 -4.861 1.048 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.537 -8.108 -0.097 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.521 -7.250 0.889 1.00 0.00 H new ATOM 0 HH TYR A 69 0.217 -9.292 0.486 1.00 0.00 H new ATOM 1060 N LEU A 70 2.964 -0.711 -1.363 1.00 0.00 N ATOM 1061 CA LEU A 70 3.322 0.700 -1.270 1.00 0.00 C ATOM 1062 C LEU A 70 2.174 1.516 -0.683 1.00 0.00 C ATOM 1063 O LEU A 70 1.003 1.188 -0.878 1.00 0.00 O ATOM 1064 CB LEU A 70 3.695 1.244 -2.650 1.00 0.00 C ATOM 1065 CG LEU A 70 4.312 2.643 -2.675 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.255 2.789 -3.860 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.223 3.705 -2.724 1.00 0.00 C ATOM 0 H LEU A 70 2.426 -0.955 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 70 4.182 0.788 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.396 0.551 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.798 1.253 -3.270 1.00 0.00 H new ATOM 0 HG LEU A 70 4.887 2.782 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.685 3.791 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.054 2.052 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.703 2.629 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.680 4.694 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.621 3.568 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.587 3.615 -1.844 1.00 0.00 H new ATOM 1079 N CYS A 71 2.518 2.580 0.034 1.00 0.00 N ATOM 1080 CA CYS A 71 1.516 3.444 0.648 1.00 0.00 C ATOM 1081 C CYS A 71 2.062 4.854 0.847 1.00 0.00 C ATOM 1082 O CYS A 71 3.183 5.035 1.324 1.00 0.00 O ATOM 1083 CB CYS A 71 1.066 2.865 1.990 1.00 0.00 C ATOM 1084 SG CYS A 71 2.351 2.865 3.262 1.00 0.00 S ATOM 0 H CYS A 71 3.482 2.865 0.204 1.00 0.00 H new ATOM 0 HA CYS A 71 0.658 3.497 -0.023 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.211 3.437 2.352 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.723 1.842 1.835 1.00 0.00 H new ATOM 0 HG CYS A 71 3.228 3.787 2.993 1.00 0.00 H new ATOM 1090 N ILE A 72 1.264 5.850 0.476 1.00 0.00 N ATOM 1091 CA ILE A 72 1.668 7.243 0.613 1.00 0.00 C ATOM 1092 C ILE A 72 1.149 7.841 1.916 1.00 0.00 C ATOM 1093 O ILE A 72 -0.044 7.769 2.214 1.00 0.00 O ATOM 1094 CB ILE A 72 1.161 8.095 -0.567 1.00 0.00 C ATOM 1095 CG1 ILE A 72 1.752 7.585 -1.883 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.515 9.559 -0.353 1.00 0.00 C ATOM 1097 CD1 ILE A 72 0.867 7.840 -3.082 1.00 0.00 C ATOM 0 H ILE A 72 0.334 5.718 0.078 1.00 0.00 H new ATOM 0 HA ILE A 72 2.758 7.256 0.619 1.00 0.00 H new ATOM 0 HB ILE A 72 0.076 8.008 -0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.718 8.062 -2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.936 6.514 -1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.151 10.148 -1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.051 9.915 0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.597 9.664 -0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.349 7.452 -3.979 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.091 7.340 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.704 8.912 -3.192 1.00 0.00 H new ATOM 1109 N THR A 73 2.052 8.433 2.691 1.00 0.00 N ATOM 1110 CA THR A 73 1.686 9.045 3.962 1.00 0.00 C ATOM 1111 C THR A 73 2.387 10.386 4.149 1.00 0.00 C ATOM 1112 O THR A 73 3.294 10.734 3.394 1.00 0.00 O ATOM 1113 CB THR A 73 2.035 8.126 5.148 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.457 8.029 5.291 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.445 6.738 4.950 1.00 0.00 C ATOM 0 H THR A 73 3.043 8.502 2.460 1.00 0.00 H new ATOM 0 HA THR A 73 0.608 9.203 3.938 1.00 0.00 H new ATOM 0 HB THR A 73 1.608 8.559 6.052 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.689 7.997 6.243 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.705 6.107 5.800 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.360 6.812 4.871 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.846 6.299 4.037 1.00 0.00 H new ATOM 1123 N ASP A 74 1.960 11.134 5.161 1.00 0.00 N ATOM 1124 CA ASP A 74 2.549 12.437 5.448 1.00 0.00 C ATOM 1125 C ASP A 74 3.867 12.284 6.200 1.00 0.00 C ATOM 1126 O ASP A 74 4.009 11.408 7.052 1.00 0.00 O ATOM 1127 CB ASP A 74 1.577 13.289 6.267 1.00 0.00 C ATOM 1128 CG ASP A 74 0.950 12.516 7.410 1.00 0.00 C ATOM 1129 OD1 ASP A 74 0.003 11.743 7.153 1.00 0.00 O ATOM 1130 OD2 ASP A 74 1.405 12.684 8.561 1.00 0.00 O ATOM 0 H ASP A 74 1.209 10.861 5.795 1.00 0.00 H new ATOM 0 HA ASP A 74 2.749 12.935 4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.105 14.156 6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.791 13.667 5.614 1.00 0.00 H new ATOM 1135 N ASP A 75 4.829 13.142 5.877 1.00 0.00 N ATOM 1136 CA ASP A 75 6.137 13.102 6.521 1.00 0.00 C ATOM 1137 C ASP A 75 5.994 12.988 8.035 1.00 0.00 C ATOM 1138 O ASP A 75 6.527 12.065 8.652 1.00 0.00 O ATOM 1139 CB ASP A 75 6.943 14.352 6.165 1.00 0.00 C ATOM 1140 CG ASP A 75 6.977 14.613 4.672 1.00 0.00 C ATOM 1141 OD1 ASP A 75 7.445 13.727 3.926 1.00 0.00 O ATOM 1142 OD2 ASP A 75 6.538 15.703 4.249 1.00 0.00 O ATOM 0 H ASP A 75 4.728 13.873 5.173 1.00 0.00 H new ATOM 0 HA ASP A 75 6.667 12.222 6.157 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.512 15.215 6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.962 14.241 6.535 1.00 0.00 H new ATOM 1147 N ASP A 76 5.271 13.932 8.628 1.00 0.00 N ATOM 1148 CA ASP A 76 5.058 13.938 10.071 1.00 0.00 C ATOM 1149 C ASP A 76 4.880 12.518 10.600 1.00 0.00 C ATOM 1150 O ASP A 76 5.596 12.087 11.503 1.00 0.00 O ATOM 1151 CB ASP A 76 3.833 14.784 10.423 1.00 0.00 C ATOM 1152 CG ASP A 76 3.929 15.394 11.808 1.00 0.00 C ATOM 1153 OD1 ASP A 76 3.648 14.678 12.792 1.00 0.00 O ATOM 1154 OD2 ASP A 76 4.285 16.587 11.908 1.00 0.00 O ATOM 0 H ASP A 76 4.823 14.702 8.132 1.00 0.00 H new ATOM 0 HA ASP A 76 5.939 14.374 10.542 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.720 15.579 9.686 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.938 14.165 10.363 1.00 0.00 H new ATOM 1159 N PHE A 77 3.919 11.797 10.032 1.00 0.00 N ATOM 1160 CA PHE A 77 3.645 10.426 10.447 1.00 0.00 C ATOM 1161 C PHE A 77 4.943 9.669 10.715 1.00 0.00 C ATOM 1162 O PHE A 77 5.963 9.920 10.074 1.00 0.00 O ATOM 1163 CB PHE A 77 2.830 9.699 9.376 1.00 0.00 C ATOM 1164 CG PHE A 77 1.978 8.589 9.921 1.00 0.00 C ATOM 1165 CD1 PHE A 77 0.998 8.850 10.866 1.00 0.00 C ATOM 1166 CD2 PHE A 77 2.157 7.285 9.490 1.00 0.00 C ATOM 1167 CE1 PHE A 77 0.212 7.831 11.370 1.00 0.00 C ATOM 1168 CE2 PHE A 77 1.373 6.262 9.990 1.00 0.00 C ATOM 1169 CZ PHE A 77 0.401 6.535 10.932 1.00 0.00 C ATOM 0 H PHE A 77 3.317 12.139 9.283 1.00 0.00 H new ATOM 0 HA PHE A 77 3.068 10.462 11.371 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.191 10.420 8.866 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.510 9.291 8.628 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.847 9.862 11.213 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.917 7.065 8.755 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.549 8.048 12.105 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.521 5.250 9.644 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.210 5.736 11.326 1.00 0.00 H new ATOM 1179 N GLU A 78 4.895 8.743 11.667 1.00 0.00 N ATOM 1180 CA GLU A 78 6.067 7.951 12.021 1.00 0.00 C ATOM 1181 C GLU A 78 6.191 6.728 11.117 1.00 0.00 C ATOM 1182 O GLU A 78 5.189 6.126 10.729 1.00 0.00 O ATOM 1183 CB GLU A 78 5.990 7.511 13.485 1.00 0.00 C ATOM 1184 CG GLU A 78 7.333 7.108 14.071 1.00 0.00 C ATOM 1185 CD GLU A 78 7.196 6.369 15.388 1.00 0.00 C ATOM 1186 OE1 GLU A 78 6.239 6.659 16.135 1.00 0.00 O ATOM 1187 OE2 GLU A 78 8.047 5.499 15.669 1.00 0.00 O ATOM 0 H GLU A 78 4.058 8.523 12.207 1.00 0.00 H new ATOM 0 HA GLU A 78 6.950 8.575 11.882 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.574 8.325 14.079 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.300 6.671 13.567 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.862 6.476 13.357 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.942 7.999 14.220 1.00 0.00 H new ATOM 1194 N ARG A 79 7.426 6.367 10.785 1.00 0.00 N ATOM 1195 CA ARG A 79 7.681 5.218 9.925 1.00 0.00 C ATOM 1196 C ARG A 79 7.126 3.940 10.547 1.00 0.00 C ATOM 1197 O ARG A 79 6.477 3.140 9.872 1.00 0.00 O ATOM 1198 CB ARG A 79 9.182 5.065 9.674 1.00 0.00 C ATOM 1199 CG ARG A 79 9.718 5.995 8.598 1.00 0.00 C ATOM 1200 CD ARG A 79 10.101 7.350 9.174 1.00 0.00 C ATOM 1201 NE ARG A 79 10.459 8.306 8.130 1.00 0.00 N ATOM 1202 CZ ARG A 79 11.236 9.364 8.337 1.00 0.00 C ATOM 1203 NH1 ARG A 79 11.734 9.598 9.544 1.00 0.00 N ATOM 1204 NH2 ARG A 79 11.518 10.189 7.337 1.00 0.00 N ATOM 0 H ARG A 79 8.266 6.854 11.099 1.00 0.00 H new ATOM 0 HA ARG A 79 7.176 5.388 8.974 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.718 5.253 10.604 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.391 4.034 9.388 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.588 5.541 8.123 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.964 6.128 7.822 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.269 7.745 9.757 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.941 7.229 9.858 1.00 0.00 H new ATOM 0 HE ARG A 79 10.093 8.153 7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.521 8.965 10.315 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.330 10.411 9.701 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.138 10.012 6.407 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.115 11.000 7.498 1.00 0.00 H new ATOM 1218 N SER A 80 7.386 3.754 11.837 1.00 0.00 N ATOM 1219 CA SER A 80 6.916 2.571 12.549 1.00 0.00 C ATOM 1220 C SER A 80 5.428 2.342 12.300 1.00 0.00 C ATOM 1221 O SER A 80 5.004 1.229 11.989 1.00 0.00 O ATOM 1222 CB SER A 80 7.177 2.716 14.050 1.00 0.00 C ATOM 1223 OG SER A 80 7.365 1.451 14.659 1.00 0.00 O ATOM 0 H SER A 80 7.920 4.407 12.411 1.00 0.00 H new ATOM 0 HA SER A 80 7.466 1.709 12.173 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.059 3.335 14.211 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.338 3.229 14.520 1.00 0.00 H new ATOM 0 HG SER A 80 7.532 1.571 15.617 1.00 0.00 H new ATOM 1229 N ARG A 81 4.641 3.404 12.438 1.00 0.00 N ATOM 1230 CA ARG A 81 3.201 3.320 12.229 1.00 0.00 C ATOM 1231 C ARG A 81 2.883 2.845 10.814 1.00 0.00 C ATOM 1232 O ARG A 81 2.142 1.881 10.624 1.00 0.00 O ATOM 1233 CB ARG A 81 2.547 4.680 12.481 1.00 0.00 C ATOM 1234 CG ARG A 81 2.882 5.275 13.838 1.00 0.00 C ATOM 1235 CD ARG A 81 2.244 4.481 14.967 1.00 0.00 C ATOM 1236 NE ARG A 81 1.933 5.322 16.120 1.00 0.00 N ATOM 1237 CZ ARG A 81 0.933 6.197 16.143 1.00 0.00 C ATOM 1238 NH1 ARG A 81 0.152 6.343 15.082 1.00 0.00 N ATOM 1239 NH2 ARG A 81 0.713 6.926 17.230 1.00 0.00 N ATOM 0 H ARG A 81 4.977 4.333 12.694 1.00 0.00 H new ATOM 0 HA ARG A 81 2.799 2.594 12.936 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.861 5.375 11.702 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.465 4.575 12.397 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.964 5.294 13.971 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.538 6.308 13.879 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.331 4.008 14.606 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.918 3.681 15.273 1.00 0.00 H new ATOM 0 HE ARG A 81 2.515 5.233 16.953 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.318 5.783 14.246 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.615 7.015 15.102 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.312 6.815 18.048 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.055 7.597 17.247 1.00 0.00 H new ATOM 1253 N ALA A 82 3.449 3.529 9.825 1.00 0.00 N ATOM 1254 CA ALA A 82 3.228 3.177 8.428 1.00 0.00 C ATOM 1255 C ALA A 82 3.498 1.695 8.186 1.00 0.00 C ATOM 1256 O ALA A 82 2.681 0.994 7.590 1.00 0.00 O ATOM 1257 CB ALA A 82 4.105 4.029 7.523 1.00 0.00 C ATOM 0 H ALA A 82 4.064 4.330 9.966 1.00 0.00 H new ATOM 0 HA ALA A 82 2.182 3.373 8.191 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.929 3.755 6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.862 5.082 7.667 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.153 3.862 7.770 1.00 0.00 H new ATOM 1263 N PHE A 83 4.650 1.225 8.653 1.00 0.00 N ATOM 1264 CA PHE A 83 5.029 -0.173 8.485 1.00 0.00 C ATOM 1265 C PHE A 83 4.023 -1.095 9.170 1.00 0.00 C ATOM 1266 O PHE A 83 3.692 -2.162 8.655 1.00 0.00 O ATOM 1267 CB PHE A 83 6.429 -0.416 9.053 1.00 0.00 C ATOM 1268 CG PHE A 83 7.532 0.065 8.154 1.00 0.00 C ATOM 1269 CD1 PHE A 83 7.663 -0.433 6.868 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.437 1.017 8.595 1.00 0.00 C ATOM 1271 CE1 PHE A 83 8.677 0.007 6.040 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.454 1.462 7.771 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.573 0.957 6.491 1.00 0.00 C ATOM 0 H PHE A 83 5.337 1.792 9.151 1.00 0.00 H new ATOM 0 HA PHE A 83 5.033 -0.397 7.418 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.513 0.084 10.018 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.559 -1.483 9.235 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.964 -1.174 6.509 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.347 1.416 9.594 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.769 -0.391 5.040 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.154 2.203 8.128 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.365 1.304 5.844 1.00 0.00 H new ATOM 1283 N ASN A 84 3.542 -0.674 10.335 1.00 0.00 N ATOM 1284 CA ASN A 84 2.575 -1.461 11.092 1.00 0.00 C ATOM 1285 C ASN A 84 1.345 -1.773 10.244 1.00 0.00 C ATOM 1286 O ASN A 84 1.014 -2.936 10.016 1.00 0.00 O ATOM 1287 CB ASN A 84 2.158 -0.713 12.360 1.00 0.00 C ATOM 1288 CG ASN A 84 1.156 -1.494 13.189 1.00 0.00 C ATOM 1289 OD1 ASN A 84 -0.029 -1.548 12.861 1.00 0.00 O ATOM 1290 ND2 ASN A 84 1.630 -2.103 14.269 1.00 0.00 N ATOM 0 H ASN A 84 3.806 0.207 10.775 1.00 0.00 H new ATOM 0 HA ASN A 84 3.049 -2.401 11.373 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.042 -0.506 12.964 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.727 0.250 12.085 1.00 0.00 H new ATOM 0 HD21 ASN A 84 1.004 -2.643 14.866 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.620 -2.031 14.502 1.00 0.00 H new ATOM 1297 N PHE A 85 0.672 -0.725 9.780 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.521 -0.887 8.957 1.00 0.00 C ATOM 1299 C PHE A 85 -0.236 -1.780 7.754 1.00 0.00 C ATOM 1300 O PHE A 85 -0.976 -2.725 7.478 1.00 0.00 O ATOM 1301 CB PHE A 85 -1.030 0.477 8.486 1.00 0.00 C ATOM 1302 CG PHE A 85 -2.021 0.391 7.360 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -3.365 0.174 7.619 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -1.609 0.527 6.045 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -4.279 0.093 6.585 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -2.519 0.448 5.007 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.855 0.232 5.278 1.00 0.00 C ATOM 0 H PHE A 85 0.932 0.245 9.960 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.290 -1.364 9.565 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.492 0.994 9.327 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.181 1.082 8.167 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.702 0.067 8.640 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.565 0.697 5.828 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.324 -0.079 6.799 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.185 0.555 3.986 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.568 0.172 4.469 1.00 0.00 H new ATOM 1317 N LEU A 86 0.842 -1.474 7.040 1.00 0.00 N ATOM 1318 CA LEU A 86 1.227 -2.247 5.865 1.00 0.00 C ATOM 1319 C LEU A 86 1.314 -3.734 6.196 1.00 0.00 C ATOM 1320 O LEU A 86 0.745 -4.570 5.496 1.00 0.00 O ATOM 1321 CB LEU A 86 2.569 -1.755 5.322 1.00 0.00 C ATOM 1322 CG LEU A 86 2.530 -0.460 4.510 1.00 0.00 C ATOM 1323 CD1 LEU A 86 3.940 0.034 4.224 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.762 -0.667 3.212 1.00 0.00 C ATOM 0 H LEU A 86 1.465 -0.695 7.255 1.00 0.00 H new ATOM 0 HA LEU A 86 0.461 -2.107 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.248 -1.613 6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.995 -2.540 4.697 1.00 0.00 H new ATOM 0 HG LEU A 86 2.013 0.299 5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.892 0.956 3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.457 0.222 5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.482 -0.722 3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.744 0.265 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.250 -1.441 2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.741 -0.973 3.438 1.00 0.00 H new ATOM 1336 N ASN A 87 2.029 -4.055 7.270 1.00 0.00 N ATOM 1337 CA ASN A 87 2.189 -5.440 7.695 1.00 0.00 C ATOM 1338 C ASN A 87 0.833 -6.086 7.966 1.00 0.00 C ATOM 1339 O ASN A 87 0.592 -7.230 7.582 1.00 0.00 O ATOM 1340 CB ASN A 87 3.061 -5.513 8.950 1.00 0.00 C ATOM 1341 CG ASN A 87 3.561 -6.917 9.226 1.00 0.00 C ATOM 1342 OD1 ASN A 87 2.901 -7.901 8.890 1.00 0.00 O ATOM 1343 ND2 ASN A 87 4.733 -7.018 9.843 1.00 0.00 N ATOM 0 H ASN A 87 2.506 -3.375 7.861 1.00 0.00 H new ATOM 0 HA ASN A 87 2.678 -5.987 6.889 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.913 -4.843 8.836 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.489 -5.159 9.808 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.120 -7.938 10.056 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.246 -6.176 10.104 1.00 0.00 H new ATOM 1350 N GLU A 88 -0.047 -5.344 8.631 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.378 -5.846 8.953 1.00 0.00 C ATOM 1352 C GLU A 88 -2.085 -6.356 7.701 1.00 0.00 C ATOM 1353 O GLU A 88 -2.355 -7.551 7.571 1.00 0.00 O ATOM 1354 CB GLU A 88 -2.215 -4.747 9.613 1.00 0.00 C ATOM 1355 CG GLU A 88 -2.024 -4.658 11.118 1.00 0.00 C ATOM 1356 CD GLU A 88 -3.185 -3.974 11.813 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -3.909 -3.207 11.145 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -3.368 -4.205 13.027 1.00 0.00 O ATOM 0 H GLU A 88 0.137 -4.395 8.957 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.267 -6.677 9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.957 -3.787 9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.269 -4.926 9.399 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.902 -5.662 11.525 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.105 -4.113 11.332 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.383 -5.443 6.783 1.00 0.00 N ATOM 1366 CA ILE A 89 -3.059 -5.800 5.542 1.00 0.00 C ATOM 1367 C ILE A 89 -2.195 -6.727 4.694 1.00 0.00 C ATOM 1368 O ILE A 89 -2.708 -7.552 3.937 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.416 -4.550 4.716 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -2.201 -3.628 4.593 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.586 -3.813 5.350 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.412 -2.474 3.638 1.00 0.00 C ATOM 0 H ILE A 89 -2.167 -4.450 6.875 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.978 -6.316 5.819 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.710 -4.866 3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.954 -3.233 5.578 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.344 -4.213 4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.827 -2.932 4.755 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.453 -4.472 5.389 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.318 -3.506 6.361 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.510 -1.863 3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.629 -2.861 2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.249 -1.866 3.982 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.880 -6.586 4.825 1.00 0.00 N ATOM 1385 CA LYS A 90 0.057 -7.412 4.073 1.00 0.00 C ATOM 1386 C LYS A 90 -0.118 -8.887 4.421 1.00 0.00 C ATOM 1387 O LYS A 90 -0.120 -9.748 3.541 1.00 0.00 O ATOM 1388 CB LYS A 90 1.496 -6.977 4.359 1.00 0.00 C ATOM 1389 CG LYS A 90 2.540 -7.834 3.666 1.00 0.00 C ATOM 1390 CD LYS A 90 3.949 -7.436 4.074 1.00 0.00 C ATOM 1391 CE LYS A 90 4.470 -8.309 5.205 1.00 0.00 C ATOM 1392 NZ LYS A 90 3.984 -7.844 6.534 1.00 0.00 N ATOM 0 H LYS A 90 -0.439 -5.907 5.445 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.152 -7.280 3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.622 -5.941 4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.669 -7.008 5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.372 -8.883 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.432 -7.738 2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.614 -7.517 3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.957 -6.392 4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.154 -9.340 5.043 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.560 -8.304 5.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.415 -8.423 7.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.248 -6.848 6.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.949 -7.937 6.577 1.00 0.00 H new ATOM 1406 N LYS A 91 -0.265 -9.173 5.711 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.443 -10.543 6.176 1.00 0.00 C ATOM 1408 C LYS A 91 -1.814 -11.080 5.776 1.00 0.00 C ATOM 1409 O LYS A 91 -1.927 -12.180 5.237 1.00 0.00 O ATOM 1410 CB LYS A 91 -0.280 -10.613 7.696 1.00 0.00 C ATOM 1411 CG LYS A 91 1.148 -10.869 8.143 1.00 0.00 C ATOM 1412 CD LYS A 91 1.588 -12.287 7.821 1.00 0.00 C ATOM 1413 CE LYS A 91 1.129 -13.269 8.888 1.00 0.00 C ATOM 1414 NZ LYS A 91 1.396 -14.680 8.495 1.00 0.00 N ATOM 0 H LYS A 91 -0.264 -8.473 6.453 1.00 0.00 H new ATOM 0 HA LYS A 91 0.321 -11.162 5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.627 -9.677 8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.921 -11.404 8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.816 -10.160 7.654 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.231 -10.696 9.216 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.183 -12.584 6.854 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.674 -12.322 7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.639 -13.051 9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.062 -13.138 9.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.069 -15.318 9.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.889 -14.897 7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.417 -14.812 8.348 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.853 -10.294 6.042 1.00 0.00 N ATOM 1429 CA ARG A 92 -4.216 -10.691 5.710 1.00 0.00 C ATOM 1430 C ARG A 92 -4.317 -11.114 4.247 1.00 0.00 C ATOM 1431 O ARG A 92 -5.024 -12.064 3.913 1.00 0.00 O ATOM 1432 CB ARG A 92 -5.186 -9.541 5.988 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.688 -9.501 7.422 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.818 -8.498 7.589 1.00 0.00 C ATOM 1435 NE ARG A 92 -7.495 -8.645 8.875 1.00 0.00 N ATOM 1436 CZ ARG A 92 -8.334 -9.636 9.155 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -8.598 -10.562 8.244 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -8.911 -9.701 10.348 1.00 0.00 N ATOM 0 H ARG A 92 -2.776 -9.379 6.486 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.484 -11.542 6.336 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.692 -8.597 5.758 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.040 -9.626 5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.034 -10.492 7.715 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.867 -9.240 8.089 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.421 -7.487 7.502 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.540 -8.627 6.783 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.314 -7.948 9.598 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.157 -10.515 7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.243 -11.322 8.461 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.710 -8.990 11.051 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.555 -10.462 10.562 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.606 -10.401 3.380 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.617 -10.701 1.953 1.00 0.00 C ATOM 1454 C PHE A 93 -2.804 -11.957 1.655 1.00 0.00 C ATOM 1455 O PHE A 93 -3.337 -12.951 1.162 1.00 0.00 O ATOM 1456 CB PHE A 93 -3.061 -9.519 1.157 1.00 0.00 C ATOM 1457 CG PHE A 93 -3.180 -9.688 -0.331 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -4.326 -9.285 -0.997 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -2.147 -10.251 -1.062 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -4.439 -9.439 -2.366 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -2.254 -10.407 -2.431 1.00 0.00 C ATOM 1462 CZ PHE A 93 -3.402 -10.002 -3.084 1.00 0.00 C ATOM 0 H PHE A 93 -3.015 -9.612 3.641 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.650 -10.878 1.653 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.587 -8.612 1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.011 -9.379 1.416 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -5.140 -8.845 -0.440 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.248 -10.572 -0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.337 -9.119 -2.874 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.441 -10.845 -2.990 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.488 -10.125 -4.153 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.511 -11.903 1.958 1.00 0.00 N ATOM 1473 CA GLN A 94 -0.624 -13.036 1.722 1.00 0.00 C ATOM 1474 C GLN A 94 -1.173 -14.303 2.369 1.00 0.00 C ATOM 1475 O GLN A 94 -0.861 -15.416 1.945 1.00 0.00 O ATOM 1476 CB GLN A 94 0.775 -12.737 2.265 1.00 0.00 C ATOM 1477 CG GLN A 94 0.951 -13.108 3.728 1.00 0.00 C ATOM 1478 CD GLN A 94 2.314 -12.721 4.268 1.00 0.00 C ATOM 1479 OE1 GLN A 94 2.653 -11.442 4.159 1.00 0.00 O flip ATOM 1480 NE2 GLN A 94 3.054 -13.562 4.778 1.00 0.00 N flip ATOM 0 H GLN A 94 -1.055 -11.088 2.367 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.562 -13.198 0.646 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.510 -13.279 1.670 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.985 -11.675 2.140 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.178 -12.617 4.319 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.809 -14.182 3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.753 -14.535 4.841 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.968 -13.286 5.137 1.00 0.00 H new ATOM 1489 N THR A 95 -1.994 -14.126 3.400 1.00 0.00 N ATOM 1490 CA THR A 95 -2.586 -15.255 4.107 1.00 0.00 C ATOM 1491 C THR A 95 -3.963 -15.593 3.548 1.00 0.00 C ATOM 1492 O THR A 95 -4.407 -16.740 3.611 1.00 0.00 O ATOM 1493 CB THR A 95 -2.713 -14.968 5.615 1.00 0.00 C ATOM 1494 OG1 THR A 95 -1.439 -14.599 6.153 1.00 0.00 O ATOM 1495 CG2 THR A 95 -3.248 -16.186 6.354 1.00 0.00 C ATOM 0 H THR A 95 -2.264 -13.212 3.764 1.00 0.00 H new ATOM 0 HA THR A 95 -1.919 -16.105 3.961 1.00 0.00 H new ATOM 0 HB THR A 95 -3.415 -14.144 5.748 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.220 -13.684 5.878 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.329 -15.960 7.417 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.231 -16.446 5.962 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.567 -17.025 6.213 1.00 0.00 H new ATOM 1503 N THR A 96 -4.637 -14.587 2.998 1.00 0.00 N ATOM 1504 CA THR A 96 -5.964 -14.778 2.427 1.00 0.00 C ATOM 1505 C THR A 96 -5.892 -14.962 0.916 1.00 0.00 C ATOM 1506 O THR A 96 -6.262 -16.013 0.390 1.00 0.00 O ATOM 1507 CB THR A 96 -6.888 -13.586 2.744 1.00 0.00 C ATOM 1508 OG1 THR A 96 -7.045 -13.451 4.160 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.251 -13.771 2.093 1.00 0.00 C ATOM 0 H THR A 96 -4.285 -13.632 2.936 1.00 0.00 H new ATOM 0 HA THR A 96 -6.376 -15.680 2.880 1.00 0.00 H new ATOM 0 HB THR A 96 -6.430 -12.682 2.342 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.432 -12.763 4.493 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.886 -12.918 2.330 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.131 -13.845 1.012 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.713 -14.683 2.470 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.413 -13.936 0.222 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.293 -13.985 -1.231 1.00 0.00 C ATOM 1519 C TYR A 97 -3.830 -14.075 -1.654 1.00 0.00 C ATOM 1520 O TYR A 97 -3.435 -13.529 -2.684 1.00 0.00 O ATOM 1521 CB TYR A 97 -5.942 -12.751 -1.859 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.315 -12.441 -1.305 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.342 -13.374 -1.377 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.584 -11.215 -0.709 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -9.597 -13.094 -0.873 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -8.837 -10.927 -0.202 1.00 0.00 C ATOM 1527 CZ TYR A 97 -9.840 -11.870 -0.286 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.089 -11.588 0.218 1.00 0.00 O ATOM 0 H TYR A 97 -5.101 -13.060 0.642 1.00 0.00 H new ATOM 0 HA TYR A 97 -5.810 -14.878 -1.583 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.293 -11.890 -1.702 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.019 -12.900 -2.936 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.156 -14.334 -1.835 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.801 -10.475 -0.641 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.384 -13.830 -0.938 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.030 -9.969 0.257 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.092 -10.685 0.598 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.030 -14.770 -0.851 1.00 0.00 N ATOM 1539 CA GLY A 98 -1.620 -14.921 -1.159 1.00 0.00 C ATOM 1540 C GLY A 98 -1.373 -15.915 -2.276 1.00 0.00 C ATOM 1541 O GLY A 98 -0.900 -15.546 -3.351 1.00 0.00 O ATOM 0 H GLY A 98 -3.333 -15.231 0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.207 -13.952 -1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.089 -15.245 -0.264 1.00 0.00 H new ATOM 1545 N SER A 99 -1.691 -17.180 -2.021 1.00 0.00 N ATOM 1546 CA SER A 99 -1.496 -18.232 -3.012 1.00 0.00 C ATOM 1547 C SER A 99 -2.136 -17.850 -4.343 1.00 0.00 C ATOM 1548 O SER A 99 -1.533 -18.012 -5.404 1.00 0.00 O ATOM 1549 CB SER A 99 -2.086 -19.551 -2.510 1.00 0.00 C ATOM 1550 OG SER A 99 -1.163 -20.241 -1.685 1.00 0.00 O ATOM 0 H SER A 99 -2.085 -17.501 -1.137 1.00 0.00 H new ATOM 0 HA SER A 99 -0.424 -18.357 -3.166 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.001 -19.355 -1.952 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.359 -20.178 -3.359 1.00 0.00 H new ATOM 0 HG SER A 99 -1.564 -21.080 -1.376 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.363 -17.341 -4.279 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.086 -16.937 -5.478 1.00 0.00 C ATOM 1558 C ARG A 100 -3.371 -15.789 -6.184 1.00 0.00 C ATOM 1559 O ARG A 100 -3.393 -15.691 -7.410 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.514 -16.519 -5.121 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.430 -17.690 -4.804 1.00 0.00 C ATOM 1562 CD ARG A 100 -6.484 -17.967 -3.310 1.00 0.00 C ATOM 1563 NE ARG A 100 -7.562 -17.232 -2.656 1.00 0.00 N ATOM 1564 CZ ARG A 100 -8.840 -17.590 -2.718 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -9.197 -18.668 -3.403 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -9.764 -16.869 -2.096 1.00 0.00 N ATOM 0 H ARG A 100 -3.876 -17.199 -3.409 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.122 -17.791 -6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.483 -15.849 -4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.936 -15.953 -5.951 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.434 -17.478 -5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.080 -18.579 -5.328 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.621 -19.036 -3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.531 -17.694 -2.856 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.321 -16.397 -2.122 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.490 -19.224 -3.884 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -10.179 -18.941 -3.449 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.494 -16.038 -1.569 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.745 -17.145 -2.145 1.00 0.00 H new ATOM 1580 N ALA A 101 -2.736 -14.923 -5.400 1.00 0.00 N ATOM 1581 CA ALA A 101 -2.013 -13.783 -5.950 1.00 0.00 C ATOM 1582 C ALA A 101 -0.853 -14.241 -6.828 1.00 0.00 C ATOM 1583 O ALA A 101 -0.262 -13.444 -7.555 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.508 -12.888 -4.828 1.00 0.00 C ATOM 0 H ALA A 101 -2.708 -14.990 -4.383 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.702 -13.212 -6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.970 -12.041 -5.253 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.353 -12.525 -4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.838 -13.456 -4.183 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.532 -15.529 -6.753 1.00 0.00 N ATOM 1591 CA GLN A 102 0.559 -16.091 -7.540 1.00 0.00 C ATOM 1592 C GLN A 102 0.071 -16.513 -8.922 1.00 0.00 C ATOM 1593 O GLN A 102 0.824 -16.477 -9.896 1.00 0.00 O ATOM 1594 CB GLN A 102 1.174 -17.289 -6.815 1.00 0.00 C ATOM 1595 CG GLN A 102 1.685 -16.960 -5.422 1.00 0.00 C ATOM 1596 CD GLN A 102 2.760 -15.891 -5.432 1.00 0.00 C ATOM 1597 OE1 GLN A 102 3.949 -16.190 -5.545 1.00 0.00 O ATOM 1598 NE2 GLN A 102 2.346 -14.635 -5.313 1.00 0.00 N ATOM 0 H GLN A 102 -1.012 -16.202 -6.156 1.00 0.00 H new ATOM 0 HA GLN A 102 1.320 -15.320 -7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.428 -18.081 -6.742 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.998 -17.681 -7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.852 -16.626 -4.803 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.082 -17.865 -4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.350 -14.433 -5.222 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.024 -13.873 -5.313 1.00 0.00 H new ATOM 1607 N THR A 103 -1.194 -16.914 -9.001 1.00 0.00 N ATOM 1608 CA THR A 103 -1.782 -17.345 -10.264 1.00 0.00 C ATOM 1609 C THR A 103 -2.941 -16.440 -10.667 1.00 0.00 C ATOM 1610 O THR A 103 -2.899 -15.790 -11.711 1.00 0.00 O ATOM 1611 CB THR A 103 -2.284 -18.799 -10.182 1.00 0.00 C ATOM 1612 OG1 THR A 103 -3.216 -18.935 -9.104 1.00 0.00 O ATOM 1613 CG2 THR A 103 -1.123 -19.761 -9.982 1.00 0.00 C ATOM 0 H THR A 103 -1.831 -16.949 -8.205 1.00 0.00 H new ATOM 0 HA THR A 103 -0.997 -17.282 -11.017 1.00 0.00 H new ATOM 0 HB THR A 103 -2.779 -19.044 -11.122 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.532 -19.862 -9.060 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.502 -20.782 -9.927 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.431 -19.675 -10.820 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.603 -19.516 -9.056 1.00 0.00 H new ATOM 1621 N ALA A 104 -3.975 -16.404 -9.833 1.00 0.00 N ATOM 1622 CA ALA A 104 -5.145 -15.577 -10.102 1.00 0.00 C ATOM 1623 C ALA A 104 -4.747 -14.266 -10.773 1.00 0.00 C ATOM 1624 O ALA A 104 -3.632 -13.770 -10.609 1.00 0.00 O ATOM 1625 CB ALA A 104 -5.905 -15.303 -8.813 1.00 0.00 C ATOM 0 H ALA A 104 -4.026 -16.938 -8.965 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.796 -16.122 -10.785 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.776 -14.684 -9.029 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.230 -16.247 -8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.255 -14.781 -8.111 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.680 -13.690 -11.546 1.00 0.00 N ATOM 1632 CA PRO A 105 -5.449 -12.429 -12.257 1.00 0.00 C ATOM 1633 C PRO A 105 -5.359 -11.237 -11.310 1.00 0.00 C ATOM 1634 O PRO A 105 -5.644 -11.339 -10.116 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.678 -12.301 -13.161 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.738 -13.089 -12.472 1.00 0.00 C ATOM 1637 CD PRO A 105 -7.030 -14.225 -11.786 1.00 0.00 C ATOM 0 HA PRO A 105 -4.503 -12.434 -12.798 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.974 -11.259 -13.281 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.478 -12.693 -14.158 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.276 -12.473 -11.752 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.473 -13.461 -13.185 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.524 -14.502 -10.855 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.003 -15.118 -12.411 1.00 0.00 H new ATOM 1645 N PRO A 106 -4.954 -10.079 -11.851 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.818 -8.845 -11.071 1.00 0.00 C ATOM 1647 C PRO A 106 -6.166 -8.283 -10.636 1.00 0.00 C ATOM 1648 O PRO A 106 -6.349 -7.910 -9.477 1.00 0.00 O ATOM 1649 CB PRO A 106 -4.127 -7.886 -12.043 1.00 0.00 C ATOM 1650 CG PRO A 106 -4.491 -8.390 -13.397 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.598 -9.884 -13.267 1.00 0.00 C ATOM 0 HA PRO A 106 -4.266 -9.007 -10.145 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.468 -6.861 -11.897 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -3.047 -7.886 -11.898 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.434 -7.959 -13.733 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.735 -8.115 -14.132 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.359 -10.292 -13.932 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.659 -10.377 -13.517 1.00 0.00 H new ATOM 1659 N TYR A 107 -7.108 -8.225 -11.571 1.00 0.00 N ATOM 1660 CA TYR A 107 -8.440 -7.706 -11.284 1.00 0.00 C ATOM 1661 C TYR A 107 -9.410 -8.841 -10.969 1.00 0.00 C ATOM 1662 O TYR A 107 -10.459 -8.969 -11.600 1.00 0.00 O ATOM 1663 CB TYR A 107 -8.959 -6.891 -12.470 1.00 0.00 C ATOM 1664 CG TYR A 107 -8.602 -5.423 -12.398 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -7.277 -5.015 -12.299 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -9.588 -4.446 -12.428 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -6.946 -3.675 -12.233 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -9.266 -3.104 -12.364 1.00 0.00 C ATOM 1669 CZ TYR A 107 -7.944 -2.724 -12.266 1.00 0.00 C ATOM 1670 OH TYR A 107 -7.619 -1.388 -12.200 1.00 0.00 O ATOM 0 H TYR A 107 -6.974 -8.531 -12.535 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.370 -7.059 -10.410 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.556 -7.310 -13.392 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -10.043 -6.991 -12.522 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.493 -5.758 -12.273 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -10.624 -4.740 -12.503 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.912 -3.374 -12.156 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.045 -2.357 -12.391 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.437 -0.850 -12.236 1.00 0.00 H new ATOM 1680 N ALA A 108 -9.051 -9.661 -9.987 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.890 -10.783 -9.585 1.00 0.00 C ATOM 1682 C ALA A 108 -10.547 -10.522 -8.234 1.00 0.00 C ATOM 1683 O ALA A 108 -11.731 -10.797 -8.045 1.00 0.00 O ATOM 1684 CB ALA A 108 -9.070 -12.064 -9.536 1.00 0.00 C ATOM 0 H ALA A 108 -8.185 -9.569 -9.455 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.680 -10.898 -10.327 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.709 -12.894 -9.234 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.653 -12.267 -10.522 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -8.260 -11.950 -8.816 1.00 0.00 H new ATOM 1690 N MET A 109 -9.769 -9.989 -7.297 1.00 0.00 N ATOM 1691 CA MET A 109 -10.276 -9.690 -5.962 1.00 0.00 C ATOM 1692 C MET A 109 -10.082 -8.215 -5.625 1.00 0.00 C ATOM 1693 O MET A 109 -9.818 -7.861 -4.477 1.00 0.00 O ATOM 1694 CB MET A 109 -9.573 -10.561 -4.919 1.00 0.00 C ATOM 1695 CG MET A 109 -9.372 -12.000 -5.365 1.00 0.00 C ATOM 1696 SD MET A 109 -8.249 -12.910 -4.287 1.00 0.00 S ATOM 1697 CE MET A 109 -6.759 -12.920 -5.280 1.00 0.00 C ATOM 0 H MET A 109 -8.786 -9.755 -7.437 1.00 0.00 H new ATOM 0 HA MET A 109 -11.343 -9.910 -5.948 1.00 0.00 H new ATOM 0 HB2 MET A 109 -8.603 -10.123 -4.686 1.00 0.00 H new ATOM 0 HB3 MET A 109 -10.156 -10.553 -3.998 1.00 0.00 H new ATOM 0 HG2 MET A 109 -10.337 -12.507 -5.389 1.00 0.00 H new ATOM 0 HG3 MET A 109 -8.981 -12.010 -6.382 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.077 -13.684 -4.906 1.00 0.00 H new ATOM 0 HE2 MET A 109 -7.014 -13.138 -6.317 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.277 -11.944 -5.222 1.00 0.00 H new ATOM 1707 N ASN A 110 -10.213 -7.359 -6.633 1.00 0.00 N ATOM 1708 CA ASN A 110 -10.051 -5.923 -6.443 1.00 0.00 C ATOM 1709 C ASN A 110 -11.214 -5.345 -5.642 1.00 0.00 C ATOM 1710 O ASN A 110 -11.058 -4.356 -4.926 1.00 0.00 O ATOM 1711 CB ASN A 110 -9.949 -5.216 -7.796 1.00 0.00 C ATOM 1712 CG ASN A 110 -11.303 -4.787 -8.328 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -11.714 -3.639 -8.158 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -12.003 -5.711 -8.976 1.00 0.00 N ATOM 0 H ASN A 110 -10.431 -7.635 -7.590 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.130 -5.758 -5.884 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.306 -4.341 -7.698 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -9.473 -5.882 -8.516 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -12.921 -5.482 -9.357 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.623 -6.650 -9.093 1.00 0.00 H new ATOM 1721 N SER A 111 -12.380 -5.971 -5.767 1.00 0.00 N ATOM 1722 CA SER A 111 -13.571 -5.518 -5.057 1.00 0.00 C ATOM 1723 C SER A 111 -13.500 -5.897 -3.581 1.00 0.00 C ATOM 1724 O SER A 111 -13.459 -5.030 -2.708 1.00 0.00 O ATOM 1725 CB SER A 111 -14.827 -6.118 -5.691 1.00 0.00 C ATOM 1726 OG SER A 111 -15.301 -5.307 -6.751 1.00 0.00 O ATOM 0 H SER A 111 -12.525 -6.793 -6.353 1.00 0.00 H new ATOM 0 HA SER A 111 -13.619 -4.432 -5.133 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.607 -7.118 -6.065 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.605 -6.224 -4.935 1.00 0.00 H new ATOM 0 HG SER A 111 -16.103 -5.713 -7.140 1.00 0.00 H new ATOM 1732 N GLU A 112 -13.487 -7.199 -3.311 1.00 0.00 N ATOM 1733 CA GLU A 112 -13.423 -7.693 -1.941 1.00 0.00 C ATOM 1734 C GLU A 112 -12.374 -6.930 -1.136 1.00 0.00 C ATOM 1735 O GLU A 112 -12.671 -6.373 -0.079 1.00 0.00 O ATOM 1736 CB GLU A 112 -13.102 -9.189 -1.929 1.00 0.00 C ATOM 1737 CG GLU A 112 -14.226 -10.057 -2.469 1.00 0.00 C ATOM 1738 CD GLU A 112 -15.557 -9.767 -1.805 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -15.592 -9.675 -0.560 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -16.565 -9.633 -2.530 1.00 0.00 O ATOM 0 H GLU A 112 -13.520 -7.929 -4.022 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.397 -7.534 -1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.203 -9.364 -2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.876 -9.495 -0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.318 -9.899 -3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.972 -11.107 -2.322 1.00 0.00 H new ATOM 1747 N PHE A 113 -11.146 -6.911 -1.643 1.00 0.00 N ATOM 1748 CA PHE A 113 -10.053 -6.218 -0.972 1.00 0.00 C ATOM 1749 C PHE A 113 -10.362 -4.732 -0.820 1.00 0.00 C ATOM 1750 O PHE A 113 -10.253 -4.173 0.271 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.749 -6.403 -1.752 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.524 -6.398 -0.882 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -7.435 -7.237 0.216 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.463 -5.553 -1.163 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -6.309 -7.235 1.018 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -5.334 -5.547 -0.365 1.00 0.00 C ATOM 1757 CZ PHE A 113 -5.258 -6.388 0.728 1.00 0.00 C ATOM 0 H PHE A 113 -10.883 -7.368 -2.516 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.938 -6.650 0.022 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.793 -7.345 -2.299 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.662 -5.608 -2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.255 -7.901 0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.518 -4.892 -2.015 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.252 -7.895 1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.512 -4.885 -0.596 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.378 -6.383 1.354 1.00 0.00 H new ATOM 1767 N SER A 114 -10.747 -4.098 -1.923 1.00 0.00 N ATOM 1768 CA SER A 114 -11.068 -2.675 -1.914 1.00 0.00 C ATOM 1769 C SER A 114 -11.845 -2.301 -0.656 1.00 0.00 C ATOM 1770 O SER A 114 -11.535 -1.311 0.007 1.00 0.00 O ATOM 1771 CB SER A 114 -11.880 -2.307 -3.157 1.00 0.00 C ATOM 1772 OG SER A 114 -12.548 -1.069 -2.981 1.00 0.00 O ATOM 0 H SER A 114 -10.844 -4.547 -2.834 1.00 0.00 H new ATOM 0 HA SER A 114 -10.132 -2.116 -1.921 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.220 -2.248 -4.022 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.608 -3.091 -3.365 1.00 0.00 H new ATOM 0 HG SER A 114 -11.890 -0.344 -2.948 1.00 0.00 H new ATOM 1778 N SER A 115 -12.856 -3.101 -0.332 1.00 0.00 N ATOM 1779 CA SER A 115 -13.681 -2.853 0.844 1.00 0.00 C ATOM 1780 C SER A 115 -12.880 -3.071 2.125 1.00 0.00 C ATOM 1781 O SER A 115 -12.859 -2.216 3.010 1.00 0.00 O ATOM 1782 CB SER A 115 -14.908 -3.767 0.835 1.00 0.00 C ATOM 1783 OG SER A 115 -15.844 -3.374 1.823 1.00 0.00 O ATOM 0 H SER A 115 -13.123 -3.927 -0.868 1.00 0.00 H new ATOM 0 HA SER A 115 -14.010 -1.814 0.814 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.379 -3.739 -0.148 1.00 0.00 H new ATOM 0 HB3 SER A 115 -14.599 -4.797 1.012 1.00 0.00 H new ATOM 0 HG SER A 115 -16.619 -3.973 1.796 1.00 0.00 H new ATOM 1789 N VAL A 116 -12.222 -4.223 2.215 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.419 -4.554 3.386 1.00 0.00 C ATOM 1791 C VAL A 116 -10.434 -3.437 3.711 1.00 0.00 C ATOM 1792 O VAL A 116 -10.388 -2.944 4.839 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.640 -5.867 3.178 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.744 -6.151 4.374 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.598 -7.022 2.933 1.00 0.00 C ATOM 0 H VAL A 116 -12.229 -4.942 1.491 1.00 0.00 H new ATOM 0 HA VAL A 116 -12.110 -4.678 4.220 1.00 0.00 H new ATOM 0 HB VAL A 116 -10.007 -5.758 2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -9.202 -7.082 4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -9.033 -5.334 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -10.354 -6.241 5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -11.030 -7.941 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -12.259 -7.135 3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -12.193 -6.819 2.042 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.648 -3.041 2.716 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.663 -1.980 2.895 1.00 0.00 C ATOM 1807 C LEU A 117 -9.326 -0.700 3.392 1.00 0.00 C ATOM 1808 O LEU A 117 -8.845 -0.063 4.329 1.00 0.00 O ATOM 1809 CB LEU A 117 -7.929 -1.711 1.580 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.821 -2.700 1.215 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.373 -2.492 -0.223 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.644 -2.558 2.169 1.00 0.00 C ATOM 0 H LEU A 117 -9.674 -3.439 1.777 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.943 -2.309 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.662 -1.703 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.496 -0.712 1.627 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.217 -3.711 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.584 -3.204 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.219 -2.645 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.994 -1.477 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.865 -3.269 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.247 -1.545 2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.975 -2.758 3.188 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.434 -0.329 2.759 1.00 0.00 N ATOM 1825 CA ALA A 118 -11.166 0.873 3.139 1.00 0.00 C ATOM 1826 C ALA A 118 -11.408 0.915 4.644 1.00 0.00 C ATOM 1827 O ALA A 118 -11.190 1.940 5.289 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.487 0.946 2.388 1.00 0.00 C ATOM 0 H ALA A 118 -10.845 -0.844 1.980 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.560 1.738 2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -13.023 1.849 2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.295 0.971 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -13.091 0.071 2.628 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.861 -0.206 5.197 1.00 0.00 N ATOM 1835 CA ALA A 119 -12.132 -0.297 6.627 1.00 0.00 C ATOM 1836 C ALA A 119 -10.859 -0.090 7.441 1.00 0.00 C ATOM 1837 O ALA A 119 -10.851 0.662 8.415 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.762 -1.641 6.960 1.00 0.00 C ATOM 0 H ALA A 119 -12.048 -1.063 4.677 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.833 0.495 6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.959 -1.695 8.031 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.698 -1.749 6.413 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -12.081 -2.443 6.675 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.788 -0.763 7.035 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.510 -0.654 7.729 1.00 0.00 C ATOM 1846 C GLN A 120 -8.025 0.792 7.753 1.00 0.00 C ATOM 1847 O GLN A 120 -7.558 1.284 8.781 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.463 -1.544 7.057 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.854 -3.012 7.008 1.00 0.00 C ATOM 1850 CD GLN A 120 -7.701 -3.703 8.348 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -8.257 -3.261 9.354 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -6.944 -4.794 8.370 1.00 0.00 N ATOM 0 H GLN A 120 -9.779 -1.389 6.230 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.654 -0.987 8.757 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.293 -1.188 6.041 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.518 -1.446 7.591 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.889 -3.097 6.676 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -7.238 -3.523 6.268 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -6.502 -5.125 7.513 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -6.805 -5.301 9.244 1.00 0.00 H new ATOM 1861 N LEU A 121 -8.139 1.467 6.615 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.712 2.858 6.504 1.00 0.00 C ATOM 1863 C LEU A 121 -8.475 3.741 7.486 1.00 0.00 C ATOM 1864 O LEU A 121 -7.889 4.328 8.396 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.920 3.364 5.076 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.867 2.939 4.053 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -7.460 2.918 2.653 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.663 3.868 4.110 1.00 0.00 C ATOM 0 H LEU A 121 -8.523 1.074 5.756 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.651 2.908 6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.894 3.020 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -7.956 4.453 5.100 1.00 0.00 H new ATOM 0 HG LEU A 121 -6.535 1.930 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -6.695 2.613 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -8.290 2.212 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.821 3.914 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.923 3.551 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -5.979 4.888 3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.223 3.832 5.106 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.787 3.830 7.296 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.633 4.639 8.166 1.00 0.00 C ATOM 1882 C LYS A 122 -10.361 4.326 9.634 1.00 0.00 C ATOM 1883 O LYS A 122 -10.284 5.228 10.468 1.00 0.00 O ATOM 1884 CB LYS A 122 -12.110 4.394 7.847 1.00 0.00 C ATOM 1885 CG LYS A 122 -13.009 5.571 8.187 1.00 0.00 C ATOM 1886 CD LYS A 122 -14.465 5.268 7.876 1.00 0.00 C ATOM 1887 CE LYS A 122 -14.799 5.566 6.423 1.00 0.00 C ATOM 1888 NZ LYS A 122 -16.246 5.367 6.134 1.00 0.00 N ATOM 0 H LYS A 122 -10.288 3.352 6.547 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.398 5.688 7.986 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.211 4.165 6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.451 3.516 8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.905 5.816 9.244 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -12.690 6.448 7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.673 4.220 8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.108 5.860 8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -14.520 6.594 6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -14.207 4.920 5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -16.433 5.580 5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -16.507 4.380 6.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -16.810 6.002 6.734 1.00 0.00 H new ATOM 1902 N HIS A 123 -10.216 3.041 9.943 1.00 0.00 N ATOM 1903 CA HIS A 123 -9.950 2.609 11.311 1.00 0.00 C ATOM 1904 C HIS A 123 -8.723 3.318 11.876 1.00 0.00 C ATOM 1905 O HIS A 123 -8.835 4.159 12.768 1.00 0.00 O ATOM 1906 CB HIS A 123 -9.746 1.095 11.359 1.00 0.00 C ATOM 1907 CG HIS A 123 -10.036 0.494 12.700 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -10.744 -0.678 12.862 1.00 0.00 N ATOM 1909 CD2 HIS A 123 -9.707 0.909 13.946 1.00 0.00 C ATOM 1910 CE1 HIS A 123 -10.841 -0.957 14.150 1.00 0.00 C ATOM 1911 NE2 HIS A 123 -10.219 -0.010 14.829 1.00 0.00 N ATOM 0 H HIS A 123 -10.278 2.281 9.265 1.00 0.00 H new ATOM 0 HA HIS A 123 -10.813 2.871 11.923 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -10.388 0.626 10.613 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -8.717 0.866 11.082 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -9.147 1.797 14.198 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -11.343 -1.813 14.575 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -10.133 0.032 15.844 1.00 0.00 H new ATOM 1920 N HIS A 124 -7.551 2.973 11.350 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.303 3.577 11.802 1.00 0.00 C ATOM 1922 C HIS A 124 -6.407 5.099 11.810 1.00 0.00 C ATOM 1923 O HIS A 124 -6.086 5.748 12.806 1.00 0.00 O ATOM 1924 CB HIS A 124 -5.145 3.138 10.905 1.00 0.00 C ATOM 1925 CG HIS A 124 -4.502 1.857 11.341 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -5.206 0.685 11.519 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -3.213 1.568 11.632 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -4.377 -0.270 11.903 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -3.161 0.241 11.979 1.00 0.00 N ATOM 0 H HIS A 124 -7.440 2.279 10.611 1.00 0.00 H new ATOM 0 HA HIS A 124 -6.113 3.238 12.820 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.510 3.023 9.884 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -4.392 3.925 10.887 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -2.380 2.254 11.598 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -4.647 -1.293 12.118 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -2.320 -0.268 12.251 1.00 0.00 H new