USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 801 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 80 LYS NZ :NH3+ -150:sc= 0.763 (180deg=0) USER MOD Set 1.2: A 84 ASN : amide:sc= 0.248! C(o=1!,f=-4.9!) USER MOD Single : A 7 TYR OH : rot 110:sc= -0.613 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00261 USER MOD Single : A 11 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.071) USER MOD Single : A 16 TYR OH : rot 158:sc= 0.19 USER MOD Single : A 20 MET CE :methyl 162:sc= 0 (180deg=-0.245) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.39 K(o=-0.39,f=-6.3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -172:sc= -0.0176 (180deg=-0.104) USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 1.57 (180deg=1.53) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 159:sc= -0.0591 (180deg=-0.363) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -3.06! K(o=-3.1!,f=-0.31) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -172:sc= -0.268 (180deg=-0.428) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0248 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 71:sc= 0.201 USER MOD Single : A 82 MET CE :methyl 166:sc= -0.368 (180deg=-0.783) USER MOD Single : A 85 TYR OH : rot -145:sc= 1.95 USER MOD Single : A 88 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0261) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.844 K(o=-0.84,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 91 N TYR A 7 1.002 -13.617 8.794 1.00 43.33 N ATOM 92 CA TYR A 7 0.685 -12.199 8.798 1.00 54.34 C ATOM 93 C TYR A 7 1.028 -11.597 7.441 1.00 2.45 C ATOM 94 O TYR A 7 2.196 -11.356 7.137 1.00 32.33 O ATOM 95 CB TYR A 7 1.459 -11.493 9.918 1.00 3.24 C ATOM 96 CG TYR A 7 0.900 -10.142 10.303 1.00 33.12 C ATOM 97 CD1 TYR A 7 -0.421 -10.007 10.715 1.00 71.34 C ATOM 98 CD2 TYR A 7 1.694 -9.004 10.268 1.00 74.10 C ATOM 99 CE1 TYR A 7 -0.935 -8.778 11.079 1.00 53.33 C ATOM 100 CE2 TYR A 7 1.187 -7.771 10.633 1.00 51.44 C ATOM 101 CZ TYR A 7 -0.127 -7.664 11.037 1.00 71.21 C ATOM 102 OH TYR A 7 -0.636 -6.438 11.400 1.00 34.25 O ATOM 0 HA TYR A 7 -0.381 -12.064 8.981 1.00 54.34 H new ATOM 0 HB2 TYR A 7 1.467 -12.135 10.799 1.00 3.24 H new ATOM 0 HB3 TYR A 7 2.496 -11.369 9.605 1.00 3.24 H new ATOM 0 HD1 TYR A 7 -1.057 -10.879 10.751 1.00 71.34 H new ATOM 0 HD2 TYR A 7 2.723 -9.083 9.951 1.00 74.10 H new ATOM 0 HE1 TYR A 7 -1.964 -8.691 11.395 1.00 53.33 H new ATOM 0 HE2 TYR A 7 1.818 -6.895 10.602 1.00 51.44 H new ATOM 0 HH TYR A 7 -0.237 -6.157 12.250 1.00 34.25 H new ATOM 112 N THR A 8 0.014 -11.401 6.614 1.00 1.12 N ATOM 113 CA THR A 8 0.211 -10.876 5.274 1.00 24.32 C ATOM 114 C THR A 8 0.033 -9.362 5.251 1.00 72.30 C ATOM 115 O THR A 8 -0.399 -8.767 6.240 1.00 23.22 O ATOM 116 CB THR A 8 -0.780 -11.519 4.288 1.00 32.15 C ATOM 117 OG1 THR A 8 -2.113 -11.420 4.807 1.00 65.32 O ATOM 118 CG2 THR A 8 -0.433 -12.981 4.039 1.00 22.22 C ATOM 0 H THR A 8 -0.958 -11.599 6.849 1.00 1.12 H new ATOM 0 HA THR A 8 1.230 -11.119 4.971 1.00 24.32 H new ATOM 0 HB THR A 8 -0.715 -10.985 3.340 1.00 32.15 H new ATOM 0 HG1 THR A 8 -2.741 -11.829 4.176 1.00 65.32 H new ATOM 0 HG21 THR A 8 -1.149 -13.411 3.339 1.00 22.22 H new ATOM 0 HG22 THR A 8 0.571 -13.050 3.620 1.00 22.22 H new ATOM 0 HG23 THR A 8 -0.472 -13.530 4.980 1.00 22.22 H new ATOM 126 N VAL A 9 0.353 -8.745 4.116 1.00 15.34 N ATOM 127 CA VAL A 9 0.194 -7.303 3.954 1.00 23.55 C ATOM 128 C VAL A 9 -1.275 -6.895 4.064 1.00 52.42 C ATOM 129 O VAL A 9 -1.589 -5.752 4.401 1.00 3.11 O ATOM 130 CB VAL A 9 0.774 -6.812 2.609 1.00 41.32 C ATOM 131 CG1 VAL A 9 2.288 -6.972 2.593 1.00 24.23 C ATOM 132 CG2 VAL A 9 0.150 -7.560 1.441 1.00 41.33 C ATOM 0 H VAL A 9 0.724 -9.222 3.294 1.00 15.34 H new ATOM 0 HA VAL A 9 0.753 -6.830 4.761 1.00 23.55 H new ATOM 0 HB VAL A 9 0.533 -5.754 2.502 1.00 41.32 H new ATOM 0 HG11 VAL A 9 2.681 -6.622 1.639 1.00 24.23 H new ATOM 0 HG12 VAL A 9 2.724 -6.386 3.402 1.00 24.23 H new ATOM 0 HG13 VAL A 9 2.544 -8.023 2.727 1.00 24.23 H new ATOM 0 HG21 VAL A 9 0.576 -7.195 0.506 1.00 41.33 H new ATOM 0 HG22 VAL A 9 0.354 -8.626 1.541 1.00 41.33 H new ATOM 0 HG23 VAL A 9 -0.928 -7.396 1.438 1.00 41.33 H new ATOM 142 N ALA A 10 -2.173 -7.837 3.779 1.00 11.33 N ATOM 143 CA ALA A 10 -3.602 -7.606 3.936 1.00 22.40 C ATOM 144 C ALA A 10 -3.960 -7.474 5.412 1.00 70.13 C ATOM 145 O ALA A 10 -4.699 -6.574 5.806 1.00 20.34 O ATOM 146 CB ALA A 10 -4.398 -8.737 3.299 1.00 31.42 C ATOM 0 H ALA A 10 -1.932 -8.768 3.438 1.00 11.33 H new ATOM 0 HA ALA A 10 -3.858 -6.675 3.431 1.00 22.40 H new ATOM 0 HB1 ALA A 10 -5.464 -8.548 3.426 1.00 31.42 H new ATOM 0 HB2 ALA A 10 -4.163 -8.793 2.236 1.00 31.42 H new ATOM 0 HB3 ALA A 10 -4.137 -9.680 3.779 1.00 31.42 H new ATOM 152 N GLN A 11 -3.417 -8.376 6.226 1.00 65.42 N ATOM 153 CA GLN A 11 -3.644 -8.347 7.667 1.00 24.23 C ATOM 154 C GLN A 11 -2.954 -7.139 8.291 1.00 72.43 C ATOM 155 O GLN A 11 -3.466 -6.532 9.231 1.00 44.55 O ATOM 156 CB GLN A 11 -3.140 -9.641 8.312 1.00 13.22 C ATOM 157 CG GLN A 11 -3.957 -10.868 7.939 1.00 71.03 C ATOM 158 CD GLN A 11 -5.353 -10.840 8.531 1.00 33.14 C ATOM 159 OE1 GLN A 11 -5.577 -11.331 9.636 1.00 2.02 O ATOM 160 NE2 GLN A 11 -6.297 -10.264 7.805 1.00 63.43 N ATOM 0 H GLN A 11 -2.816 -9.137 5.911 1.00 65.42 H new ATOM 0 HA GLN A 11 -4.716 -8.264 7.847 1.00 24.23 H new ATOM 0 HB2 GLN A 11 -2.103 -9.803 8.018 1.00 13.22 H new ATOM 0 HB3 GLN A 11 -3.150 -9.524 9.396 1.00 13.22 H new ATOM 0 HG2 GLN A 11 -4.028 -10.937 6.853 1.00 71.03 H new ATOM 0 HG3 GLN A 11 -3.439 -11.763 8.282 1.00 71.03 H new ATOM 0 HE21 GLN A 11 -6.069 -9.869 6.893 1.00 63.43 H new ATOM 0 HE22 GLN A 11 -7.253 -10.215 8.157 1.00 63.43 H new ATOM 169 N LEU A 12 -1.792 -6.796 7.745 1.00 71.33 N ATOM 170 CA LEU A 12 -1.049 -5.617 8.175 1.00 14.03 C ATOM 171 C LEU A 12 -1.918 -4.370 8.022 1.00 54.15 C ATOM 172 O LEU A 12 -1.989 -3.536 8.924 1.00 74.12 O ATOM 173 CB LEU A 12 0.247 -5.496 7.346 1.00 24.03 C ATOM 174 CG LEU A 12 1.288 -4.460 7.817 1.00 24.32 C ATOM 175 CD1 LEU A 12 0.856 -3.040 7.493 1.00 5.15 C ATOM 176 CD2 LEU A 12 1.550 -4.601 9.306 1.00 22.24 C ATOM 0 H LEU A 12 -1.341 -7.323 6.997 1.00 71.33 H new ATOM 0 HA LEU A 12 -0.780 -5.714 9.227 1.00 14.03 H new ATOM 0 HB2 LEU A 12 0.728 -6.474 7.326 1.00 24.03 H new ATOM 0 HB3 LEU A 12 -0.029 -5.255 6.319 1.00 24.03 H new ATOM 0 HG LEU A 12 2.212 -4.660 7.274 1.00 24.32 H new ATOM 0 HD11 LEU A 12 1.616 -2.340 7.841 1.00 5.15 H new ATOM 0 HD12 LEU A 12 0.732 -2.935 6.415 1.00 5.15 H new ATOM 0 HD13 LEU A 12 -0.090 -2.825 7.990 1.00 5.15 H new ATOM 0 HD21 LEU A 12 2.287 -3.861 9.617 1.00 22.24 H new ATOM 0 HD22 LEU A 12 0.622 -4.442 9.855 1.00 22.24 H new ATOM 0 HD23 LEU A 12 1.929 -5.601 9.516 1.00 22.24 H new ATOM 188 N ALA A 13 -2.597 -4.272 6.885 1.00 34.03 N ATOM 189 CA ALA A 13 -3.434 -3.118 6.577 1.00 62.05 C ATOM 190 C ALA A 13 -4.599 -2.988 7.554 1.00 70.15 C ATOM 191 O ALA A 13 -5.096 -1.886 7.798 1.00 61.44 O ATOM 192 CB ALA A 13 -3.951 -3.216 5.153 1.00 44.11 C ATOM 0 H ALA A 13 -2.584 -4.985 6.155 1.00 34.03 H new ATOM 0 HA ALA A 13 -2.819 -2.224 6.677 1.00 62.05 H new ATOM 0 HB1 ALA A 13 -4.575 -2.350 4.932 1.00 44.11 H new ATOM 0 HB2 ALA A 13 -3.109 -3.243 4.461 1.00 44.11 H new ATOM 0 HB3 ALA A 13 -4.541 -4.126 5.042 1.00 44.11 H new ATOM 198 N ASP A 14 -5.020 -4.109 8.123 1.00 22.32 N ATOM 199 CA ASP A 14 -6.152 -4.115 9.039 1.00 44.22 C ATOM 200 C ASP A 14 -5.765 -3.501 10.380 1.00 43.15 C ATOM 201 O ASP A 14 -6.542 -2.766 10.982 1.00 13.23 O ATOM 202 CB ASP A 14 -6.681 -5.539 9.235 1.00 71.01 C ATOM 203 CG ASP A 14 -7.984 -5.569 10.011 1.00 12.42 C ATOM 204 OD1 ASP A 14 -8.995 -5.049 9.490 1.00 40.35 O ATOM 205 OD2 ASP A 14 -8.009 -6.130 11.127 1.00 32.44 O ATOM 0 H ASP A 14 -4.596 -5.024 7.967 1.00 22.32 H new ATOM 0 HA ASP A 14 -6.946 -3.510 8.601 1.00 44.22 H new ATOM 0 HB2 ASP A 14 -6.830 -6.006 8.261 1.00 71.01 H new ATOM 0 HB3 ASP A 14 -5.934 -6.132 9.762 1.00 71.01 H new ATOM 210 N GLU A 15 -4.561 -3.791 10.848 1.00 31.21 N ATOM 211 CA GLU A 15 -4.063 -3.153 12.060 1.00 30.13 C ATOM 212 C GLU A 15 -3.610 -1.732 11.735 1.00 33.44 C ATOM 213 O GLU A 15 -3.695 -0.824 12.565 1.00 24.42 O ATOM 214 CB GLU A 15 -2.914 -3.959 12.672 1.00 62.21 C ATOM 215 CG GLU A 15 -2.499 -3.463 14.048 1.00 14.33 C ATOM 216 CD GLU A 15 -1.405 -4.302 14.673 1.00 42.25 C ATOM 217 OE1 GLU A 15 -1.715 -5.382 15.217 1.00 24.14 O ATOM 218 OE2 GLU A 15 -0.232 -3.876 14.633 1.00 62.41 O ATOM 0 H GLU A 15 -3.917 -4.454 10.416 1.00 31.21 H new ATOM 0 HA GLU A 15 -4.867 -3.115 12.795 1.00 30.13 H new ATOM 0 HB2 GLU A 15 -3.211 -5.005 12.745 1.00 62.21 H new ATOM 0 HB3 GLU A 15 -2.054 -3.918 12.004 1.00 62.21 H new ATOM 0 HG2 GLU A 15 -2.157 -2.431 13.969 1.00 14.33 H new ATOM 0 HG3 GLU A 15 -3.369 -3.461 14.705 1.00 14.33 H new ATOM 225 N TYR A 16 -3.147 -1.552 10.503 1.00 15.21 N ATOM 226 CA TYR A 16 -2.685 -0.257 10.016 1.00 10.51 C ATOM 227 C TYR A 16 -3.781 0.804 10.091 1.00 25.13 C ATOM 228 O TYR A 16 -3.533 1.920 10.551 1.00 20.00 O ATOM 229 CB TYR A 16 -2.171 -0.390 8.576 1.00 1.14 C ATOM 230 CG TYR A 16 -1.993 0.929 7.855 1.00 14.42 C ATOM 231 CD1 TYR A 16 -0.968 1.805 8.194 1.00 33.21 C ATOM 232 CD2 TYR A 16 -2.859 1.296 6.834 1.00 54.54 C ATOM 233 CE1 TYR A 16 -0.815 3.010 7.532 1.00 14.41 C ATOM 234 CE2 TYR A 16 -2.713 2.496 6.169 1.00 72.02 C ATOM 235 CZ TYR A 16 -1.690 3.350 6.521 1.00 45.45 C ATOM 236 OH TYR A 16 -1.548 4.550 5.863 1.00 61.50 O ATOM 0 H TYR A 16 -3.081 -2.300 9.813 1.00 15.21 H new ATOM 0 HA TYR A 16 -1.870 0.069 10.663 1.00 10.51 H new ATOM 0 HB2 TYR A 16 -1.216 -0.915 8.590 1.00 1.14 H new ATOM 0 HB3 TYR A 16 -2.867 -1.009 8.010 1.00 1.14 H new ATOM 0 HD1 TYR A 16 -0.282 1.541 8.985 1.00 33.21 H new ATOM 0 HD2 TYR A 16 -3.662 0.630 6.555 1.00 54.54 H new ATOM 0 HE1 TYR A 16 -0.014 3.681 7.805 1.00 14.41 H new ATOM 0 HE2 TYR A 16 -3.396 2.765 5.377 1.00 72.02 H new ATOM 0 HH TYR A 16 -1.981 4.495 4.985 1.00 61.50 H new ATOM 246 N PHE A 17 -4.994 0.465 9.657 1.00 42.12 N ATOM 247 CA PHE A 17 -6.066 1.456 9.623 1.00 5.11 C ATOM 248 C PHE A 17 -6.480 1.820 11.047 1.00 73.32 C ATOM 249 O PHE A 17 -6.881 2.945 11.318 1.00 3.42 O ATOM 250 CB PHE A 17 -7.273 0.969 8.793 1.00 13.44 C ATOM 251 CG PHE A 17 -8.404 0.362 9.583 1.00 10.23 C ATOM 252 CD1 PHE A 17 -9.434 1.160 10.063 1.00 32.52 C ATOM 253 CD2 PHE A 17 -8.452 -0.997 9.831 1.00 32.15 C ATOM 254 CE1 PHE A 17 -10.484 0.613 10.775 1.00 31.14 C ATOM 255 CE2 PHE A 17 -9.499 -1.552 10.545 1.00 73.42 C ATOM 256 CZ PHE A 17 -10.514 -0.746 11.017 1.00 32.15 C ATOM 0 H PHE A 17 -5.255 -0.466 9.331 1.00 42.12 H new ATOM 0 HA PHE A 17 -5.688 2.351 9.128 1.00 5.11 H new ATOM 0 HB2 PHE A 17 -7.663 1.812 8.223 1.00 13.44 H new ATOM 0 HB3 PHE A 17 -6.921 0.232 8.071 1.00 13.44 H new ATOM 0 HD1 PHE A 17 -9.414 2.224 9.877 1.00 32.52 H new ATOM 0 HD2 PHE A 17 -7.662 -1.634 9.462 1.00 32.15 H new ATOM 0 HE1 PHE A 17 -11.279 1.246 11.141 1.00 31.14 H new ATOM 0 HE2 PHE A 17 -9.522 -2.615 10.733 1.00 73.42 H new ATOM 0 HZ PHE A 17 -11.332 -1.178 11.575 1.00 32.15 H new ATOM 266 N GLU A 18 -6.343 0.865 11.960 1.00 62.51 N ATOM 267 CA GLU A 18 -6.675 1.091 13.363 1.00 34.53 C ATOM 268 C GLU A 18 -5.628 1.996 14.017 1.00 64.13 C ATOM 269 O GLU A 18 -5.885 2.637 15.038 1.00 22.14 O ATOM 270 CB GLU A 18 -6.766 -0.251 14.098 1.00 2.31 C ATOM 271 CG GLU A 18 -7.304 -0.144 15.516 1.00 52.33 C ATOM 272 CD GLU A 18 -7.368 -1.484 16.220 1.00 53.31 C ATOM 273 OE1 GLU A 18 -8.409 -2.170 16.121 1.00 21.54 O ATOM 274 OE2 GLU A 18 -6.380 -1.859 16.882 1.00 65.04 O ATOM 0 H GLU A 18 -6.004 -0.075 11.754 1.00 62.51 H new ATOM 0 HA GLU A 18 -7.642 1.590 13.425 1.00 34.53 H new ATOM 0 HB2 GLU A 18 -7.406 -0.924 13.527 1.00 2.31 H new ATOM 0 HB3 GLU A 18 -5.775 -0.704 14.129 1.00 2.31 H new ATOM 0 HG2 GLU A 18 -6.672 0.533 16.090 1.00 52.33 H new ATOM 0 HG3 GLU A 18 -8.301 0.296 15.490 1.00 52.33 H new ATOM 281 N ARG A 19 -4.445 2.036 13.418 1.00 64.20 N ATOM 282 CA ARG A 19 -3.357 2.874 13.905 1.00 12.11 C ATOM 283 C ARG A 19 -3.404 4.267 13.280 1.00 13.12 C ATOM 284 O ARG A 19 -3.563 5.269 13.980 1.00 61.44 O ATOM 285 CB ARG A 19 -2.001 2.232 13.596 1.00 40.03 C ATOM 286 CG ARG A 19 -1.392 1.449 14.749 1.00 10.32 C ATOM 287 CD ARG A 19 -2.227 0.242 15.139 1.00 11.02 C ATOM 288 NE ARG A 19 -1.520 -0.598 16.100 1.00 75.33 N ATOM 289 CZ ARG A 19 -2.112 -1.320 17.051 1.00 31.34 C ATOM 290 NH1 ARG A 19 -3.435 -1.343 17.157 1.00 73.01 N ATOM 291 NH2 ARG A 19 -1.373 -2.036 17.887 1.00 5.44 N ATOM 0 H ARG A 19 -4.213 1.493 12.587 1.00 64.20 H new ATOM 0 HA ARG A 19 -3.480 2.968 14.984 1.00 12.11 H new ATOM 0 HB2 ARG A 19 -2.116 1.565 12.742 1.00 40.03 H new ATOM 0 HB3 ARG A 19 -1.303 3.014 13.297 1.00 40.03 H new ATOM 0 HG2 ARG A 19 -0.391 1.119 14.471 1.00 10.32 H new ATOM 0 HG3 ARG A 19 -1.283 2.106 15.612 1.00 10.32 H new ATOM 0 HD2 ARG A 19 -3.173 0.573 15.568 1.00 11.02 H new ATOM 0 HD3 ARG A 19 -2.467 -0.341 14.250 1.00 11.02 H new ATOM 0 HE ARG A 19 -0.502 -0.635 16.040 1.00 75.33 H new ATOM 0 HH11 ARG A 19 -4.008 -0.805 16.507 1.00 73.01 H new ATOM 0 HH12 ARG A 19 -3.878 -1.899 17.888 1.00 73.01 H new ATOM 0 HH21 ARG A 19 -0.357 -2.032 17.800 1.00 5.44 H new ATOM 0 HH22 ARG A 19 -1.821 -2.590 18.617 1.00 5.44 H new ATOM 305 N MET A 20 -3.280 4.325 11.957 1.00 12.13 N ATOM 306 CA MET A 20 -3.094 5.594 11.257 1.00 25.24 C ATOM 307 C MET A 20 -4.428 6.263 10.930 1.00 44.14 C ATOM 308 O MET A 20 -4.509 7.487 10.836 1.00 71.40 O ATOM 309 CB MET A 20 -2.299 5.368 9.967 1.00 54.14 C ATOM 310 CG MET A 20 -1.751 6.646 9.353 1.00 32.45 C ATOM 311 SD MET A 20 -0.500 7.424 10.392 1.00 45.22 S ATOM 312 CE MET A 20 -0.082 8.860 9.403 1.00 13.30 C ATOM 0 H MET A 20 -3.305 3.508 11.347 1.00 12.13 H new ATOM 0 HA MET A 20 -2.540 6.259 11.920 1.00 25.24 H new ATOM 0 HB2 MET A 20 -1.470 4.692 10.176 1.00 54.14 H new ATOM 0 HB3 MET A 20 -2.940 4.871 9.238 1.00 54.14 H new ATOM 0 HG2 MET A 20 -1.321 6.422 8.377 1.00 32.45 H new ATOM 0 HG3 MET A 20 -2.569 7.347 9.187 1.00 32.45 H new ATOM 0 HE1 MET A 20 0.423 9.597 10.027 1.00 13.30 H new ATOM 0 HE2 MET A 20 0.578 8.561 8.588 1.00 13.30 H new ATOM 0 HE3 MET A 20 -0.992 9.296 8.992 1.00 13.30 H new ATOM 322 N ILE A 21 -5.471 5.464 10.772 1.00 14.43 N ATOM 323 CA ILE A 21 -6.787 5.979 10.406 1.00 11.44 C ATOM 324 C ILE A 21 -7.674 6.037 11.650 1.00 21.22 C ATOM 325 O ILE A 21 -8.884 5.843 11.596 1.00 14.24 O ATOM 326 CB ILE A 21 -7.442 5.103 9.310 1.00 12.33 C ATOM 327 CG1 ILE A 21 -6.421 4.760 8.216 1.00 12.34 C ATOM 328 CG2 ILE A 21 -8.639 5.814 8.693 1.00 42.34 C ATOM 329 CD1 ILE A 21 -5.879 5.965 7.473 1.00 63.53 C ATOM 0 H ILE A 21 -5.434 4.452 10.891 1.00 14.43 H new ATOM 0 HA ILE A 21 -6.671 6.984 9.999 1.00 11.44 H new ATOM 0 HB ILE A 21 -7.786 4.180 9.777 1.00 12.33 H new ATOM 0 HG12 ILE A 21 -5.588 4.221 8.668 1.00 12.34 H new ATOM 0 HG13 ILE A 21 -6.887 4.084 7.499 1.00 12.34 H new ATOM 0 HG21 ILE A 21 -9.083 5.180 7.926 1.00 42.34 H new ATOM 0 HG22 ILE A 21 -9.379 6.019 9.467 1.00 42.34 H new ATOM 0 HG23 ILE A 21 -8.313 6.752 8.244 1.00 42.34 H new ATOM 0 HD11 ILE A 21 -5.165 5.636 6.718 1.00 63.53 H new ATOM 0 HD12 ILE A 21 -6.700 6.494 6.989 1.00 63.53 H new ATOM 0 HD13 ILE A 21 -5.382 6.633 8.176 1.00 63.53 H new ATOM 341 N ALA A 22 -7.041 6.309 12.779 1.00 61.14 N ATOM 342 CA ALA A 22 -7.747 6.462 14.038 1.00 73.02 C ATOM 343 C ALA A 22 -7.773 7.929 14.453 1.00 52.21 C ATOM 344 O ALA A 22 -7.254 8.790 13.742 1.00 40.35 O ATOM 345 CB ALA A 22 -7.091 5.613 15.111 1.00 34.25 C ATOM 0 H ALA A 22 -6.030 6.429 12.848 1.00 61.14 H new ATOM 0 HA ALA A 22 -8.775 6.123 13.910 1.00 73.02 H new ATOM 0 HB1 ALA A 22 -7.629 5.735 16.051 1.00 34.25 H new ATOM 0 HB2 ALA A 22 -7.117 4.565 14.812 1.00 34.25 H new ATOM 0 HB3 ALA A 22 -6.056 5.928 15.242 1.00 34.25 H new ATOM 351 N GLY A 23 -8.378 8.212 15.599 1.00 73.12 N ATOM 352 CA GLY A 23 -8.443 9.578 16.086 1.00 60.25 C ATOM 353 C GLY A 23 -9.611 10.340 15.495 1.00 21.51 C ATOM 354 O GLY A 23 -10.677 10.427 16.105 1.00 32.53 O ATOM 0 H GLY A 23 -8.825 7.521 16.201 1.00 73.12 H new ATOM 0 HA2 GLY A 23 -8.528 9.571 17.173 1.00 60.25 H new ATOM 0 HA3 GLY A 23 -7.514 10.094 15.842 1.00 60.25 H new ATOM 358 N ARG A 24 -9.420 10.881 14.303 1.00 12.42 N ATOM 359 CA ARG A 24 -10.464 11.634 13.632 1.00 20.50 C ATOM 360 C ARG A 24 -10.404 11.354 12.136 1.00 64.23 C ATOM 361 O ARG A 24 -9.535 11.866 11.435 1.00 64.24 O ATOM 362 CB ARG A 24 -10.301 13.133 13.921 1.00 74.31 C ATOM 363 CG ARG A 24 -11.546 13.970 13.662 1.00 24.54 C ATOM 364 CD ARG A 24 -11.766 14.251 12.185 1.00 34.12 C ATOM 365 NE ARG A 24 -12.937 15.098 11.967 1.00 20.33 N ATOM 366 CZ ARG A 24 -12.968 16.125 11.121 1.00 52.13 C ATOM 367 NH1 ARG A 24 -11.889 16.441 10.416 1.00 35.14 N ATOM 368 NH2 ARG A 24 -14.083 16.836 10.991 1.00 13.31 N ATOM 0 H ARG A 24 -8.547 10.812 13.779 1.00 12.42 H new ATOM 0 HA ARG A 24 -11.440 11.325 14.006 1.00 20.50 H new ATOM 0 HB2 ARG A 24 -10.006 13.258 14.963 1.00 74.31 H new ATOM 0 HB3 ARG A 24 -9.486 13.520 13.310 1.00 74.31 H new ATOM 0 HG2 ARG A 24 -12.417 13.452 14.063 1.00 24.54 H new ATOM 0 HG3 ARG A 24 -11.462 14.915 14.199 1.00 24.54 H new ATOM 0 HD2 ARG A 24 -10.883 14.737 11.771 1.00 34.12 H new ATOM 0 HD3 ARG A 24 -11.892 13.310 11.650 1.00 34.12 H new ATOM 0 HE ARG A 24 -13.783 14.889 12.496 1.00 20.33 H new ATOM 0 HH11 ARG A 24 -11.033 15.896 10.522 1.00 35.14 H new ATOM 0 HH12 ARG A 24 -11.916 17.229 9.768 1.00 35.14 H new ATOM 0 HH21 ARG A 24 -14.909 16.594 11.538 1.00 13.31 H new ATOM 0 HH22 ARG A 24 -14.113 17.624 10.344 1.00 13.31 H new ATOM 382 N TRP A 25 -11.309 10.512 11.667 1.00 5.32 N ATOM 383 CA TRP A 25 -11.335 10.122 10.263 1.00 1.21 C ATOM 384 C TRP A 25 -12.771 10.086 9.743 1.00 73.42 C ATOM 385 O TRP A 25 -13.062 10.616 8.670 1.00 20.23 O ATOM 386 CB TRP A 25 -10.653 8.751 10.083 1.00 24.32 C ATOM 387 CG TRP A 25 -11.393 7.603 10.703 1.00 3.23 C ATOM 388 CD1 TRP A 25 -12.082 6.640 10.039 1.00 71.34 C ATOM 389 CD2 TRP A 25 -11.548 7.314 12.103 1.00 40.41 C ATOM 390 NE1 TRP A 25 -12.643 5.763 10.929 1.00 64.34 N ATOM 391 CE2 TRP A 25 -12.333 6.152 12.200 1.00 32.22 C ATOM 392 CE3 TRP A 25 -11.099 7.915 13.280 1.00 53.05 C ATOM 393 CZ2 TRP A 25 -12.678 5.580 13.421 1.00 74.41 C ATOM 394 CZ3 TRP A 25 -11.443 7.350 14.493 1.00 41.12 C ATOM 395 CH2 TRP A 25 -12.224 6.192 14.555 1.00 14.42 C ATOM 0 H TRP A 25 -12.038 10.083 12.237 1.00 5.32 H new ATOM 0 HA TRP A 25 -10.785 10.862 9.682 1.00 1.21 H new ATOM 0 HB2 TRP A 25 -10.532 8.556 9.017 1.00 24.32 H new ATOM 0 HB3 TRP A 25 -9.653 8.797 10.514 1.00 24.32 H new ATOM 0 HD1 TRP A 25 -12.174 6.575 8.965 1.00 71.34 H new ATOM 0 HE1 TRP A 25 -13.204 4.948 10.681 1.00 64.34 H new ATOM 0 HE3 TRP A 25 -10.492 8.808 13.243 1.00 53.05 H new ATOM 0 HZ2 TRP A 25 -13.282 4.686 13.470 1.00 74.41 H new ATOM 0 HZ3 TRP A 25 -11.103 7.811 15.409 1.00 41.12 H new ATOM 0 HH2 TRP A 25 -12.473 5.773 15.519 1.00 14.42 H new ATOM 406 N LYS A 26 -13.657 9.480 10.540 1.00 3.35 N ATOM 407 CA LYS A 26 -15.074 9.325 10.207 1.00 44.31 C ATOM 408 C LYS A 26 -15.279 8.384 9.020 1.00 51.00 C ATOM 409 O LYS A 26 -14.717 8.584 7.942 1.00 45.34 O ATOM 410 CB LYS A 26 -15.739 10.675 9.940 1.00 32.32 C ATOM 411 CG LYS A 26 -15.717 11.606 11.142 1.00 23.51 C ATOM 412 CD LYS A 26 -16.555 12.846 10.900 1.00 14.15 C ATOM 413 CE LYS A 26 -18.018 12.493 10.703 1.00 12.13 C ATOM 414 NZ LYS A 26 -18.851 13.702 10.488 1.00 64.11 N ATOM 0 H LYS A 26 -13.406 9.079 11.444 1.00 3.35 H new ATOM 0 HA LYS A 26 -15.553 8.876 11.077 1.00 44.31 H new ATOM 0 HB2 LYS A 26 -15.236 11.161 9.104 1.00 32.32 H new ATOM 0 HB3 LYS A 26 -16.773 10.509 9.637 1.00 32.32 H new ATOM 0 HG2 LYS A 26 -16.091 11.078 12.019 1.00 23.51 H new ATOM 0 HG3 LYS A 26 -14.689 11.897 11.359 1.00 23.51 H new ATOM 0 HD2 LYS A 26 -16.454 13.527 11.745 1.00 14.15 H new ATOM 0 HD3 LYS A 26 -16.184 13.372 10.021 1.00 14.15 H new ATOM 0 HE2 LYS A 26 -18.119 11.825 9.848 1.00 12.13 H new ATOM 0 HE3 LYS A 26 -18.382 11.951 11.576 1.00 12.13 H new ATOM 0 HZ1 LYS A 26 -19.844 13.421 10.357 1.00 64.11 H new ATOM 0 HZ2 LYS A 26 -18.774 14.328 11.315 1.00 64.11 H new ATOM 0 HZ3 LYS A 26 -18.520 14.206 9.641 1.00 64.11 H new ATOM 428 N HIS A 27 -16.097 7.358 9.244 1.00 53.13 N ATOM 429 CA HIS A 27 -16.396 6.341 8.233 1.00 51.10 C ATOM 430 C HIS A 27 -15.130 5.585 7.835 1.00 73.24 C ATOM 431 O HIS A 27 -14.520 5.868 6.800 1.00 61.42 O ATOM 432 CB HIS A 27 -17.059 6.947 6.985 1.00 22.13 C ATOM 433 CG HIS A 27 -18.336 7.683 7.258 1.00 4.21 C ATOM 434 ND1 HIS A 27 -18.654 8.879 6.655 1.00 13.33 N ATOM 435 CD2 HIS A 27 -19.382 7.386 8.063 1.00 70.11 C ATOM 436 CE1 HIS A 27 -19.833 9.284 7.079 1.00 2.34 C ATOM 437 NE2 HIS A 27 -20.300 8.398 7.933 1.00 74.11 N ATOM 0 H HIS A 27 -16.573 7.206 10.133 1.00 53.13 H new ATOM 0 HA HIS A 27 -17.103 5.644 8.682 1.00 51.10 H new ATOM 0 HB2 HIS A 27 -16.355 7.630 6.510 1.00 22.13 H new ATOM 0 HB3 HIS A 27 -17.260 6.148 6.271 1.00 22.13 H new ATOM 0 HD2 HIS A 27 -19.477 6.513 8.692 1.00 70.11 H new ATOM 0 HE1 HIS A 27 -20.333 10.192 6.776 1.00 2.34 H new ATOM 0 HE2 HIS A 27 -21.196 8.454 8.418 1.00 74.11 H new ATOM 446 N PRO A 28 -14.714 4.609 8.660 1.00 25.42 N ATOM 447 CA PRO A 28 -13.502 3.823 8.405 1.00 14.12 C ATOM 448 C PRO A 28 -13.661 2.901 7.199 1.00 13.34 C ATOM 449 O PRO A 28 -12.680 2.456 6.610 1.00 51.35 O ATOM 450 CB PRO A 28 -13.341 2.986 9.677 1.00 63.55 C ATOM 451 CG PRO A 28 -14.710 2.901 10.256 1.00 13.42 C ATOM 452 CD PRO A 28 -15.393 4.191 9.901 1.00 44.15 C ATOM 0 HA PRO A 28 -12.646 4.461 8.183 1.00 14.12 H new ATOM 0 HB2 PRO A 28 -12.946 1.996 9.451 1.00 63.55 H new ATOM 0 HB3 PRO A 28 -12.646 3.455 10.373 1.00 63.55 H new ATOM 0 HG2 PRO A 28 -15.253 2.048 9.849 1.00 13.42 H new ATOM 0 HG3 PRO A 28 -14.668 2.767 11.337 1.00 13.42 H new ATOM 0 HD2 PRO A 28 -16.463 4.049 9.745 1.00 44.15 H new ATOM 0 HD3 PRO A 28 -15.281 4.935 10.690 1.00 44.15 H new ATOM 460 N ASN A 29 -14.908 2.629 6.835 1.00 35.54 N ATOM 461 CA ASN A 29 -15.209 1.694 5.758 1.00 61.33 C ATOM 462 C ASN A 29 -14.859 2.284 4.396 1.00 1.34 C ATOM 463 O ASN A 29 -14.364 1.578 3.518 1.00 74.43 O ATOM 464 CB ASN A 29 -16.688 1.274 5.796 1.00 62.03 C ATOM 465 CG ASN A 29 -17.659 2.427 5.582 1.00 75.41 C ATOM 466 OD1 ASN A 29 -17.377 3.573 5.937 1.00 24.51 O ATOM 467 ND2 ASN A 29 -18.813 2.127 5.006 1.00 31.23 N ATOM 0 H ASN A 29 -15.731 3.045 7.272 1.00 35.54 H new ATOM 0 HA ASN A 29 -14.592 0.808 5.910 1.00 61.33 H new ATOM 0 HB2 ASN A 29 -16.861 0.518 5.030 1.00 62.03 H new ATOM 0 HB3 ASN A 29 -16.899 0.807 6.758 1.00 62.03 H new ATOM 0 HD21 ASN A 29 -19.506 2.857 4.842 1.00 31.23 H new ATOM 0 HD22 ASN A 29 -19.009 1.166 4.726 1.00 31.23 H new ATOM 474 N ILE A 30 -15.098 3.580 4.232 1.00 51.42 N ATOM 475 CA ILE A 30 -14.828 4.254 2.967 1.00 21.31 C ATOM 476 C ILE A 30 -13.326 4.338 2.711 1.00 10.10 C ATOM 477 O ILE A 30 -12.855 4.071 1.606 1.00 61.15 O ATOM 478 CB ILE A 30 -15.441 5.674 2.940 1.00 71.54 C ATOM 479 CG1 ILE A 30 -16.955 5.599 3.163 1.00 54.52 C ATOM 480 CG2 ILE A 30 -15.134 6.366 1.618 1.00 34.55 C ATOM 481 CD1 ILE A 30 -17.637 6.950 3.186 1.00 52.32 C ATOM 0 H ILE A 30 -15.478 4.186 4.959 1.00 51.42 H new ATOM 0 HA ILE A 30 -15.294 3.663 2.178 1.00 21.31 H new ATOM 0 HB ILE A 30 -14.995 6.259 3.744 1.00 71.54 H new ATOM 0 HG12 ILE A 30 -17.399 4.992 2.374 1.00 54.52 H new ATOM 0 HG13 ILE A 30 -17.149 5.088 4.106 1.00 54.52 H new ATOM 0 HG21 ILE A 30 -15.574 7.363 1.619 1.00 34.55 H new ATOM 0 HG22 ILE A 30 -14.054 6.445 1.491 1.00 34.55 H new ATOM 0 HG23 ILE A 30 -15.554 5.785 0.797 1.00 34.55 H new ATOM 0 HD11 ILE A 30 -18.706 6.815 3.348 1.00 52.32 H new ATOM 0 HD12 ILE A 30 -17.221 7.554 3.993 1.00 52.32 H new ATOM 0 HD13 ILE A 30 -17.475 7.455 2.234 1.00 52.32 H new ATOM 493 N VAL A 31 -12.572 4.690 3.744 1.00 73.43 N ATOM 494 CA VAL A 31 -11.124 4.780 3.622 1.00 74.44 C ATOM 495 C VAL A 31 -10.506 3.384 3.523 1.00 13.33 C ATOM 496 O VAL A 31 -9.458 3.202 2.900 1.00 63.41 O ATOM 497 CB VAL A 31 -10.488 5.558 4.797 1.00 52.24 C ATOM 498 CG1 VAL A 31 -10.933 7.013 4.781 1.00 75.14 C ATOM 499 CG2 VAL A 31 -10.834 4.918 6.130 1.00 52.43 C ATOM 0 H VAL A 31 -12.936 4.916 4.669 1.00 73.43 H new ATOM 0 HA VAL A 31 -10.913 5.333 2.707 1.00 74.44 H new ATOM 0 HB VAL A 31 -9.406 5.521 4.672 1.00 52.24 H new ATOM 0 HG11 VAL A 31 -10.474 7.543 5.616 1.00 75.14 H new ATOM 0 HG12 VAL A 31 -10.626 7.477 3.844 1.00 75.14 H new ATOM 0 HG13 VAL A 31 -12.018 7.063 4.872 1.00 75.14 H new ATOM 0 HG21 VAL A 31 -10.373 5.487 6.937 1.00 52.43 H new ATOM 0 HG22 VAL A 31 -11.916 4.913 6.261 1.00 52.43 H new ATOM 0 HG23 VAL A 31 -10.462 3.894 6.149 1.00 52.43 H new ATOM 509 N ARG A 32 -11.179 2.402 4.122 1.00 42.41 N ATOM 510 CA ARG A 32 -10.750 1.007 4.055 1.00 23.40 C ATOM 511 C ARG A 32 -10.695 0.526 2.610 1.00 34.41 C ATOM 512 O ARG A 32 -9.748 -0.156 2.221 1.00 42.40 O ATOM 513 CB ARG A 32 -11.699 0.123 4.874 1.00 32.02 C ATOM 514 CG ARG A 32 -11.478 -1.378 4.714 1.00 53.12 C ATOM 515 CD ARG A 32 -10.087 -1.811 5.151 1.00 24.34 C ATOM 516 NE ARG A 32 -9.990 -3.265 5.293 1.00 71.30 N ATOM 517 CZ ARG A 32 -9.606 -3.881 6.417 1.00 44.33 C ATOM 518 NH1 ARG A 32 -9.293 -3.174 7.493 1.00 31.24 N ATOM 519 NH2 ARG A 32 -9.538 -5.205 6.473 1.00 13.45 N ATOM 0 H ARG A 32 -12.031 2.550 4.663 1.00 42.41 H new ATOM 0 HA ARG A 32 -9.747 0.935 4.477 1.00 23.40 H new ATOM 0 HB2 ARG A 32 -11.593 0.381 5.928 1.00 32.02 H new ATOM 0 HB3 ARG A 32 -12.725 0.357 4.590 1.00 32.02 H new ATOM 0 HG2 ARG A 32 -12.223 -1.916 5.299 1.00 53.12 H new ATOM 0 HG3 ARG A 32 -11.631 -1.655 3.671 1.00 53.12 H new ATOM 0 HD2 ARG A 32 -9.353 -1.467 4.422 1.00 24.34 H new ATOM 0 HD3 ARG A 32 -9.840 -1.336 6.100 1.00 24.34 H new ATOM 0 HE ARG A 32 -10.229 -3.843 4.487 1.00 71.30 H new ATOM 0 HH11 ARG A 32 -9.344 -2.156 7.467 1.00 31.24 H new ATOM 0 HH12 ARG A 32 -9.001 -3.648 8.348 1.00 31.24 H new ATOM 0 HH21 ARG A 32 -9.780 -5.763 5.654 1.00 13.45 H new ATOM 0 HH22 ARG A 32 -9.244 -5.665 7.335 1.00 13.45 H new ATOM 533 N SER A 33 -11.696 0.909 1.821 1.00 64.12 N ATOM 534 CA SER A 33 -11.790 0.489 0.427 1.00 22.00 C ATOM 535 C SER A 33 -10.502 0.798 -0.328 1.00 40.51 C ATOM 536 O SER A 33 -10.039 -0.005 -1.135 1.00 74.41 O ATOM 537 CB SER A 33 -12.975 1.185 -0.243 1.00 62.24 C ATOM 538 OG SER A 33 -14.163 0.993 0.504 1.00 44.31 O ATOM 0 H SER A 33 -12.458 1.514 2.127 1.00 64.12 H new ATOM 0 HA SER A 33 -11.943 -0.590 0.402 1.00 22.00 H new ATOM 0 HB2 SER A 33 -12.769 2.251 -0.338 1.00 62.24 H new ATOM 0 HB3 SER A 33 -13.108 0.795 -1.252 1.00 62.24 H new ATOM 0 HG SER A 33 -14.907 1.448 0.058 1.00 44.31 H new ATOM 544 N ARG A 34 -9.913 1.951 -0.049 1.00 24.52 N ATOM 545 CA ARG A 34 -8.659 2.328 -0.682 1.00 15.40 C ATOM 546 C ARG A 34 -7.500 1.537 -0.088 1.00 61.41 C ATOM 547 O ARG A 34 -6.661 1.008 -0.813 1.00 32.41 O ATOM 548 CB ARG A 34 -8.396 3.826 -0.522 1.00 4.00 C ATOM 549 CG ARG A 34 -9.327 4.711 -1.336 1.00 44.25 C ATOM 550 CD ARG A 34 -9.045 6.182 -1.080 1.00 62.55 C ATOM 551 NE ARG A 34 -9.840 7.064 -1.935 1.00 21.44 N ATOM 552 CZ ARG A 34 -10.842 7.820 -1.496 1.00 21.52 C ATOM 553 NH1 ARG A 34 -11.235 7.740 -0.228 1.00 42.13 N ATOM 554 NH2 ARG A 34 -11.456 8.645 -2.332 1.00 0.12 N ATOM 0 H ARG A 34 -10.281 2.639 0.608 1.00 24.52 H new ATOM 0 HA ARG A 34 -8.739 2.098 -1.744 1.00 15.40 H new ATOM 0 HB2 ARG A 34 -8.490 4.090 0.531 1.00 4.00 H new ATOM 0 HB3 ARG A 34 -7.367 4.036 -0.812 1.00 4.00 H new ATOM 0 HG2 ARG A 34 -9.205 4.493 -2.397 1.00 44.25 H new ATOM 0 HG3 ARG A 34 -10.363 4.486 -1.081 1.00 44.25 H new ATOM 0 HD2 ARG A 34 -9.252 6.411 -0.035 1.00 62.55 H new ATOM 0 HD3 ARG A 34 -7.986 6.379 -1.246 1.00 62.55 H new ATOM 0 HE ARG A 34 -9.612 7.101 -2.928 1.00 21.44 H new ATOM 0 HH11 ARG A 34 -10.767 7.097 0.411 1.00 42.13 H new ATOM 0 HH12 ARG A 34 -12.004 8.321 0.105 1.00 42.13 H new ATOM 0 HH21 ARG A 34 -11.159 8.698 -3.306 1.00 0.12 H new ATOM 0 HH22 ARG A 34 -12.225 9.227 -2.001 1.00 0.12 H new ATOM 568 N ILE A 35 -7.483 1.436 1.237 1.00 72.31 N ATOM 569 CA ILE A 35 -6.380 0.804 1.955 1.00 62.02 C ATOM 570 C ILE A 35 -6.200 -0.664 1.563 1.00 64.13 C ATOM 571 O ILE A 35 -5.071 -1.129 1.386 1.00 23.24 O ATOM 572 CB ILE A 35 -6.580 0.910 3.484 1.00 12.12 C ATOM 573 CG1 ILE A 35 -6.631 2.381 3.905 1.00 12.42 C ATOM 574 CG2 ILE A 35 -5.461 0.189 4.223 1.00 12.04 C ATOM 575 CD1 ILE A 35 -6.897 2.583 5.381 1.00 42.34 C ATOM 0 H ILE A 35 -8.227 1.787 1.840 1.00 72.31 H new ATOM 0 HA ILE A 35 -5.476 1.343 1.671 1.00 62.02 H new ATOM 0 HB ILE A 35 -7.525 0.434 3.744 1.00 12.12 H new ATOM 0 HG12 ILE A 35 -5.685 2.856 3.647 1.00 12.42 H new ATOM 0 HG13 ILE A 35 -7.408 2.887 3.332 1.00 12.42 H new ATOM 0 HG21 ILE A 35 -5.620 0.275 5.298 1.00 12.04 H new ATOM 0 HG22 ILE A 35 -5.457 -0.864 3.940 1.00 12.04 H new ATOM 0 HG23 ILE A 35 -4.503 0.638 3.961 1.00 12.04 H new ATOM 0 HD11 ILE A 35 -6.919 3.650 5.604 1.00 42.34 H new ATOM 0 HD12 ILE A 35 -7.857 2.138 5.642 1.00 42.34 H new ATOM 0 HD13 ILE A 35 -6.107 2.107 5.962 1.00 42.34 H new ATOM 587 N GLU A 36 -7.295 -1.398 1.430 1.00 35.14 N ATOM 588 CA GLU A 36 -7.199 -2.812 1.089 1.00 73.43 C ATOM 589 C GLU A 36 -7.198 -3.045 -0.423 1.00 73.52 C ATOM 590 O GLU A 36 -6.317 -3.727 -0.943 1.00 74.22 O ATOM 591 CB GLU A 36 -8.302 -3.639 1.770 1.00 73.12 C ATOM 592 CG GLU A 36 -9.708 -3.090 1.616 1.00 32.44 C ATOM 593 CD GLU A 36 -10.761 -4.146 1.878 1.00 24.51 C ATOM 594 OE1 GLU A 36 -11.128 -4.871 0.932 1.00 42.43 O ATOM 595 OE2 GLU A 36 -11.219 -4.264 3.035 1.00 12.23 O ATOM 0 H GLU A 36 -8.245 -1.047 1.550 1.00 35.14 H new ATOM 0 HA GLU A 36 -6.238 -3.156 1.472 1.00 73.43 H new ATOM 0 HB2 GLU A 36 -8.278 -4.651 1.365 1.00 73.12 H new ATOM 0 HB3 GLU A 36 -8.073 -3.715 2.833 1.00 73.12 H new ATOM 0 HG2 GLU A 36 -9.850 -2.258 2.305 1.00 32.44 H new ATOM 0 HG3 GLU A 36 -9.834 -2.694 0.608 1.00 32.44 H new ATOM 602 N LYS A 37 -8.160 -2.467 -1.130 1.00 32.23 N ATOM 603 CA LYS A 37 -8.335 -2.741 -2.538 1.00 72.33 C ATOM 604 C LYS A 37 -7.294 -2.007 -3.383 1.00 71.44 C ATOM 605 O LYS A 37 -6.549 -2.630 -4.130 1.00 44.34 O ATOM 606 CB LYS A 37 -9.743 -2.311 -2.951 1.00 45.53 C ATOM 607 CG LYS A 37 -10.329 -3.088 -4.117 1.00 13.53 C ATOM 608 CD LYS A 37 -9.478 -2.992 -5.372 1.00 25.34 C ATOM 609 CE LYS A 37 -9.333 -1.560 -5.884 1.00 35.03 C ATOM 610 NZ LYS A 37 -10.643 -0.901 -6.134 1.00 14.43 N ATOM 0 H LYS A 37 -8.831 -1.803 -0.743 1.00 32.23 H new ATOM 0 HA LYS A 37 -8.202 -3.809 -2.708 1.00 72.33 H new ATOM 0 HB2 LYS A 37 -10.406 -2.416 -2.092 1.00 45.53 H new ATOM 0 HB3 LYS A 37 -9.723 -1.253 -3.211 1.00 45.53 H new ATOM 0 HG2 LYS A 37 -10.435 -4.135 -3.834 1.00 13.53 H new ATOM 0 HG3 LYS A 37 -11.330 -2.713 -4.332 1.00 13.53 H new ATOM 0 HD2 LYS A 37 -8.489 -3.401 -5.166 1.00 25.34 H new ATOM 0 HD3 LYS A 37 -9.921 -3.609 -6.154 1.00 25.34 H new ATOM 0 HE2 LYS A 37 -8.770 -0.975 -5.157 1.00 35.03 H new ATOM 0 HE3 LYS A 37 -8.753 -1.566 -6.807 1.00 35.03 H new ATOM 0 HZ1 LYS A 37 -10.487 0.013 -6.605 1.00 14.43 H new ATOM 0 HZ2 LYS A 37 -11.227 -1.509 -6.743 1.00 14.43 H new ATOM 0 HZ3 LYS A 37 -11.132 -0.745 -5.229 1.00 14.43 H new ATOM 624 N ASP A 38 -7.249 -0.686 -3.268 1.00 70.13 N ATOM 625 CA ASP A 38 -6.433 0.123 -4.176 1.00 13.34 C ATOM 626 C ASP A 38 -4.951 0.037 -3.827 1.00 5.42 C ATOM 627 O ASP A 38 -4.101 -0.023 -4.715 1.00 12.34 O ATOM 628 CB ASP A 38 -6.890 1.585 -4.169 1.00 60.34 C ATOM 629 CG ASP A 38 -8.311 1.760 -4.671 1.00 32.21 C ATOM 630 OD1 ASP A 38 -8.562 1.543 -5.876 1.00 21.33 O ATOM 631 OD2 ASP A 38 -9.192 2.114 -3.860 1.00 1.14 O ATOM 0 H ASP A 38 -7.760 -0.153 -2.565 1.00 70.13 H new ATOM 0 HA ASP A 38 -6.570 -0.283 -5.178 1.00 13.34 H new ATOM 0 HB2 ASP A 38 -6.817 1.979 -3.155 1.00 60.34 H new ATOM 0 HB3 ASP A 38 -6.215 2.175 -4.790 1.00 60.34 H new ATOM 636 N ILE A 39 -4.645 0.024 -2.538 1.00 65.32 N ATOM 637 CA ILE A 39 -3.262 -0.079 -2.085 1.00 34.11 C ATOM 638 C ILE A 39 -2.718 -1.489 -2.340 1.00 13.52 C ATOM 639 O ILE A 39 -1.513 -1.690 -2.483 1.00 11.10 O ATOM 640 CB ILE A 39 -3.136 0.280 -0.584 1.00 23.40 C ATOM 641 CG1 ILE A 39 -3.663 1.697 -0.327 1.00 31.31 C ATOM 642 CG2 ILE A 39 -1.695 0.161 -0.103 1.00 52.15 C ATOM 643 CD1 ILE A 39 -2.934 2.775 -1.103 1.00 71.02 C ATOM 0 H ILE A 39 -5.333 0.083 -1.787 1.00 65.32 H new ATOM 0 HA ILE A 39 -2.669 0.636 -2.655 1.00 34.11 H new ATOM 0 HB ILE A 39 -3.739 -0.432 -0.021 1.00 23.40 H new ATOM 0 HG12 ILE A 39 -4.722 1.732 -0.583 1.00 31.31 H new ATOM 0 HG13 ILE A 39 -3.586 1.915 0.738 1.00 31.31 H new ATOM 0 HG21 ILE A 39 -1.642 0.420 0.954 1.00 52.15 H new ATOM 0 HG22 ILE A 39 -1.348 -0.863 -0.244 1.00 52.15 H new ATOM 0 HG23 ILE A 39 -1.063 0.840 -0.675 1.00 52.15 H new ATOM 0 HD11 ILE A 39 -3.365 3.748 -0.867 1.00 71.02 H new ATOM 0 HD12 ILE A 39 -1.879 2.770 -0.830 1.00 71.02 H new ATOM 0 HD13 ILE A 39 -3.033 2.584 -2.172 1.00 71.02 H new ATOM 655 N LYS A 40 -3.618 -2.463 -2.402 1.00 32.14 N ATOM 656 CA LYS A 40 -3.244 -3.833 -2.739 1.00 74.25 C ATOM 657 C LYS A 40 -4.162 -4.392 -3.824 1.00 21.13 C ATOM 658 O LYS A 40 -5.061 -5.187 -3.546 1.00 64.43 O ATOM 659 CB LYS A 40 -3.271 -4.722 -1.503 1.00 32.33 C ATOM 660 CG LYS A 40 -2.045 -4.559 -0.624 1.00 23.12 C ATOM 661 CD LYS A 40 -2.320 -5.046 0.779 1.00 52.31 C ATOM 662 CE LYS A 40 -3.400 -4.209 1.428 1.00 72.52 C ATOM 663 NZ LYS A 40 -2.971 -2.797 1.607 1.00 3.22 N ATOM 0 H LYS A 40 -4.613 -2.330 -2.223 1.00 32.14 H new ATOM 0 HA LYS A 40 -2.225 -3.820 -3.126 1.00 74.25 H new ATOM 0 HB2 LYS A 40 -4.162 -4.494 -0.919 1.00 32.33 H new ATOM 0 HB3 LYS A 40 -3.352 -5.764 -1.814 1.00 32.33 H new ATOM 0 HG2 LYS A 40 -1.211 -5.116 -1.050 1.00 23.12 H new ATOM 0 HG3 LYS A 40 -1.748 -3.511 -0.598 1.00 23.12 H new ATOM 0 HD2 LYS A 40 -2.628 -6.091 0.754 1.00 52.31 H new ATOM 0 HD3 LYS A 40 -1.407 -4.997 1.373 1.00 52.31 H new ATOM 0 HE2 LYS A 40 -4.301 -4.240 0.816 1.00 72.52 H new ATOM 0 HE3 LYS A 40 -3.658 -4.636 2.397 1.00 72.52 H new ATOM 0 HZ1 LYS A 40 -3.761 -2.240 1.992 1.00 3.22 H new ATOM 0 HZ2 LYS A 40 -2.167 -2.759 2.266 1.00 3.22 H new ATOM 0 HZ3 LYS A 40 -2.684 -2.402 0.689 1.00 3.22 H new ATOM 677 N PRO A 41 -3.951 -3.968 -5.081 1.00 4.10 N ATOM 678 CA PRO A 41 -4.843 -4.305 -6.193 1.00 65.32 C ATOM 679 C PRO A 41 -4.696 -5.748 -6.662 1.00 22.01 C ATOM 680 O PRO A 41 -5.639 -6.335 -7.190 1.00 24.34 O ATOM 681 CB PRO A 41 -4.413 -3.336 -7.296 1.00 4.12 C ATOM 682 CG PRO A 41 -2.981 -3.045 -7.009 1.00 41.44 C ATOM 683 CD PRO A 41 -2.827 -3.116 -5.513 1.00 31.41 C ATOM 0 HA PRO A 41 -5.891 -4.217 -5.907 1.00 65.32 H new ATOM 0 HB2 PRO A 41 -4.536 -3.781 -8.283 1.00 4.12 H new ATOM 0 HB3 PRO A 41 -5.013 -2.426 -7.279 1.00 4.12 H new ATOM 0 HG2 PRO A 41 -2.331 -3.768 -7.502 1.00 41.44 H new ATOM 0 HG3 PRO A 41 -2.702 -2.060 -7.382 1.00 41.44 H new ATOM 0 HD2 PRO A 41 -1.867 -3.548 -5.230 1.00 31.41 H new ATOM 0 HD3 PRO A 41 -2.878 -2.127 -5.059 1.00 31.41 H new ATOM 691 N ALA A 42 -3.515 -6.313 -6.463 1.00 60.14 N ATOM 692 CA ALA A 42 -3.242 -7.677 -6.887 1.00 50.22 C ATOM 693 C ALA A 42 -2.259 -8.346 -5.940 1.00 34.24 C ATOM 694 O ALA A 42 -1.611 -9.335 -6.289 1.00 42.15 O ATOM 695 CB ALA A 42 -2.693 -7.680 -8.306 1.00 13.13 C ATOM 0 H ALA A 42 -2.729 -5.847 -6.010 1.00 60.14 H new ATOM 0 HA ALA A 42 -4.174 -8.241 -6.866 1.00 50.22 H new ATOM 0 HB1 ALA A 42 -2.491 -8.705 -8.616 1.00 13.13 H new ATOM 0 HB2 ALA A 42 -3.425 -7.235 -8.980 1.00 13.13 H new ATOM 0 HB3 ALA A 42 -1.769 -7.102 -8.340 1.00 13.13 H new ATOM 701 N ILE A 43 -2.172 -7.812 -4.731 1.00 3.00 N ATOM 702 CA ILE A 43 -1.187 -8.267 -3.761 1.00 44.24 C ATOM 703 C ILE A 43 -1.800 -8.424 -2.372 1.00 14.40 C ATOM 704 O ILE A 43 -1.123 -8.251 -1.364 1.00 33.42 O ATOM 705 CB ILE A 43 0.012 -7.296 -3.689 1.00 31.11 C ATOM 706 CG1 ILE A 43 -0.470 -5.842 -3.661 1.00 60.42 C ATOM 707 CG2 ILE A 43 0.955 -7.528 -4.863 1.00 5.15 C ATOM 708 CD1 ILE A 43 0.634 -4.836 -3.401 1.00 0.45 C ATOM 0 H ILE A 43 -2.774 -7.060 -4.397 1.00 3.00 H new ATOM 0 HA ILE A 43 -0.836 -9.242 -4.098 1.00 44.24 H new ATOM 0 HB ILE A 43 0.558 -7.490 -2.766 1.00 31.11 H new ATOM 0 HG12 ILE A 43 -0.945 -5.608 -4.614 1.00 60.42 H new ATOM 0 HG13 ILE A 43 -1.233 -5.737 -2.890 1.00 60.42 H new ATOM 0 HG21 ILE A 43 1.795 -6.836 -4.798 1.00 5.15 H new ATOM 0 HG22 ILE A 43 1.326 -8.552 -4.835 1.00 5.15 H new ATOM 0 HG23 ILE A 43 0.420 -7.362 -5.798 1.00 5.15 H new ATOM 0 HD11 ILE A 43 0.215 -3.830 -3.396 1.00 0.45 H new ATOM 0 HD12 ILE A 43 1.094 -5.042 -2.435 1.00 0.45 H new ATOM 0 HD13 ILE A 43 1.387 -4.912 -4.185 1.00 0.45 H new ATOM 720 N GLY A 44 -3.078 -8.773 -2.323 1.00 12.23 N ATOM 721 CA GLY A 44 -3.731 -9.013 -1.047 1.00 12.13 C ATOM 722 C GLY A 44 -3.212 -10.265 -0.360 1.00 31.14 C ATOM 723 O GLY A 44 -3.126 -10.323 0.864 1.00 11.45 O ATOM 0 H GLY A 44 -3.675 -8.895 -3.141 1.00 12.23 H new ATOM 0 HA2 GLY A 44 -3.577 -8.153 -0.395 1.00 12.13 H new ATOM 0 HA3 GLY A 44 -4.806 -9.106 -1.203 1.00 12.13 H new ATOM 727 N SER A 45 -2.848 -11.263 -1.155 1.00 30.35 N ATOM 728 CA SER A 45 -2.329 -12.521 -0.629 1.00 41.22 C ATOM 729 C SER A 45 -0.800 -12.497 -0.583 1.00 30.43 C ATOM 730 O SER A 45 -0.148 -13.533 -0.423 1.00 15.14 O ATOM 731 CB SER A 45 -2.807 -13.678 -1.509 1.00 60.32 C ATOM 732 OG SER A 45 -4.185 -13.545 -1.816 1.00 11.15 O ATOM 0 H SER A 45 -2.903 -11.226 -2.173 1.00 30.35 H new ATOM 0 HA SER A 45 -2.701 -12.658 0.387 1.00 41.22 H new ATOM 0 HB2 SER A 45 -2.226 -13.703 -2.431 1.00 60.32 H new ATOM 0 HB3 SER A 45 -2.634 -14.625 -0.997 1.00 60.32 H new ATOM 0 HG SER A 45 -4.468 -14.294 -2.381 1.00 11.15 H new ATOM 738 N LEU A 46 -0.237 -11.304 -0.709 1.00 63.00 N ATOM 739 CA LEU A 46 1.206 -11.135 -0.796 1.00 43.13 C ATOM 740 C LEU A 46 1.866 -11.221 0.578 1.00 54.44 C ATOM 741 O LEU A 46 1.388 -10.630 1.553 1.00 60.40 O ATOM 742 CB LEU A 46 1.533 -9.786 -1.440 1.00 12.01 C ATOM 743 CG LEU A 46 3.019 -9.481 -1.623 1.00 4.41 C ATOM 744 CD1 LEU A 46 3.628 -10.390 -2.676 1.00 13.05 C ATOM 745 CD2 LEU A 46 3.219 -8.020 -1.994 1.00 43.54 C ATOM 0 H LEU A 46 -0.763 -10.431 -0.754 1.00 63.00 H new ATOM 0 HA LEU A 46 1.600 -11.944 -1.411 1.00 43.13 H new ATOM 0 HB2 LEU A 46 1.050 -9.744 -2.416 1.00 12.01 H new ATOM 0 HB3 LEU A 46 1.091 -8.997 -0.831 1.00 12.01 H new ATOM 0 HG LEU A 46 3.528 -9.669 -0.678 1.00 4.41 H new ATOM 0 HD11 LEU A 46 4.686 -10.156 -2.791 1.00 13.05 H new ATOM 0 HD12 LEU A 46 3.517 -11.430 -2.367 1.00 13.05 H new ATOM 0 HD13 LEU A 46 3.118 -10.238 -3.627 1.00 13.05 H new ATOM 0 HD21 LEU A 46 4.283 -7.819 -2.121 1.00 43.54 H new ATOM 0 HD22 LEU A 46 2.696 -7.806 -2.926 1.00 43.54 H new ATOM 0 HD23 LEU A 46 2.822 -7.386 -1.201 1.00 43.54 H new ATOM 757 N LYS A 47 2.946 -11.988 0.650 1.00 41.10 N ATOM 758 CA LYS A 47 3.787 -12.019 1.825 1.00 25.43 C ATOM 759 C LYS A 47 4.559 -10.707 1.938 1.00 23.33 C ATOM 760 O LYS A 47 4.821 -10.049 0.931 1.00 71.43 O ATOM 761 CB LYS A 47 4.760 -13.195 1.736 1.00 23.03 C ATOM 762 CG LYS A 47 5.505 -13.437 3.026 1.00 64.41 C ATOM 763 CD LYS A 47 4.538 -13.783 4.139 1.00 75.14 C ATOM 764 CE LYS A 47 4.078 -15.225 4.041 1.00 61.35 C ATOM 765 NZ LYS A 47 5.187 -16.170 4.331 1.00 63.02 N ATOM 0 H LYS A 47 3.257 -12.601 -0.104 1.00 41.10 H new ATOM 0 HA LYS A 47 3.164 -12.143 2.711 1.00 25.43 H new ATOM 0 HB2 LYS A 47 4.210 -14.096 1.465 1.00 23.03 H new ATOM 0 HB3 LYS A 47 5.477 -13.007 0.937 1.00 23.03 H new ATOM 0 HG2 LYS A 47 6.221 -14.248 2.893 1.00 64.41 H new ATOM 0 HG3 LYS A 47 6.076 -12.549 3.295 1.00 64.41 H new ATOM 0 HD2 LYS A 47 5.016 -13.616 5.104 1.00 75.14 H new ATOM 0 HD3 LYS A 47 3.674 -13.120 4.093 1.00 75.14 H new ATOM 0 HE2 LYS A 47 3.260 -15.396 4.741 1.00 61.35 H new ATOM 0 HE3 LYS A 47 3.687 -15.416 3.042 1.00 61.35 H new ATOM 0 HZ1 LYS A 47 4.794 -17.093 4.606 1.00 63.02 H new ATOM 0 HZ2 LYS A 47 5.777 -16.284 3.482 1.00 63.02 H new ATOM 0 HZ3 LYS A 47 5.768 -15.796 5.108 1.00 63.02 H new ATOM 779 N VAL A 48 4.942 -10.343 3.152 1.00 53.32 N ATOM 780 CA VAL A 48 5.593 -9.064 3.397 1.00 24.50 C ATOM 781 C VAL A 48 6.998 -9.039 2.793 1.00 41.51 C ATOM 782 O VAL A 48 7.418 -8.036 2.221 1.00 44.44 O ATOM 783 CB VAL A 48 5.671 -8.756 4.910 1.00 60.55 C ATOM 784 CG1 VAL A 48 6.124 -7.328 5.149 1.00 51.31 C ATOM 785 CG2 VAL A 48 4.331 -9.008 5.582 1.00 41.10 C ATOM 0 H VAL A 48 4.813 -10.917 3.986 1.00 53.32 H new ATOM 0 HA VAL A 48 4.988 -8.296 2.915 1.00 24.50 H new ATOM 0 HB VAL A 48 6.408 -9.427 5.351 1.00 60.55 H new ATOM 0 HG11 VAL A 48 6.171 -7.136 6.221 1.00 51.31 H new ATOM 0 HG12 VAL A 48 7.111 -7.181 4.710 1.00 51.31 H new ATOM 0 HG13 VAL A 48 5.416 -6.640 4.688 1.00 51.31 H new ATOM 0 HG21 VAL A 48 4.410 -8.785 6.646 1.00 41.10 H new ATOM 0 HG22 VAL A 48 3.572 -8.368 5.132 1.00 41.10 H new ATOM 0 HG23 VAL A 48 4.049 -10.053 5.451 1.00 41.10 H new ATOM 795 N GLU A 49 7.718 -10.148 2.908 1.00 21.33 N ATOM 796 CA GLU A 49 9.072 -10.235 2.368 1.00 61.05 C ATOM 797 C GLU A 49 9.052 -10.631 0.892 1.00 43.14 C ATOM 798 O GLU A 49 10.100 -10.726 0.249 1.00 2.30 O ATOM 799 CB GLU A 49 9.915 -11.255 3.144 1.00 4.23 C ATOM 800 CG GLU A 49 9.640 -11.302 4.638 1.00 5.34 C ATOM 801 CD GLU A 49 8.531 -12.272 4.991 1.00 11.02 C ATOM 802 OE1 GLU A 49 7.351 -11.872 4.960 1.00 12.23 O ATOM 803 OE2 GLU A 49 8.838 -13.449 5.285 1.00 15.41 O ATOM 0 H GLU A 49 7.390 -10.997 3.368 1.00 21.33 H new ATOM 0 HA GLU A 49 9.519 -9.246 2.471 1.00 61.05 H new ATOM 0 HB2 GLU A 49 9.739 -12.246 2.725 1.00 4.23 H new ATOM 0 HB3 GLU A 49 10.970 -11.027 2.990 1.00 4.23 H new ATOM 0 HG2 GLU A 49 10.551 -11.589 5.163 1.00 5.34 H new ATOM 0 HG3 GLU A 49 9.371 -10.305 4.987 1.00 5.34 H new ATOM 810 N ASP A 50 7.860 -10.861 0.358 1.00 74.21 N ATOM 811 CA ASP A 50 7.716 -11.343 -1.015 1.00 1.00 C ATOM 812 C ASP A 50 7.416 -10.189 -1.970 1.00 33.53 C ATOM 813 O ASP A 50 7.171 -10.383 -3.164 1.00 33.34 O ATOM 814 CB ASP A 50 6.613 -12.404 -1.086 1.00 43.43 C ATOM 815 CG ASP A 50 6.526 -13.081 -2.439 1.00 22.30 C ATOM 816 OD1 ASP A 50 7.569 -13.555 -2.938 1.00 42.01 O ATOM 817 OD2 ASP A 50 5.411 -13.165 -2.999 1.00 23.44 O ATOM 0 H ASP A 50 6.978 -10.723 0.851 1.00 74.21 H new ATOM 0 HA ASP A 50 8.659 -11.795 -1.323 1.00 1.00 H new ATOM 0 HB2 ASP A 50 6.793 -13.158 -0.320 1.00 43.43 H new ATOM 0 HB3 ASP A 50 5.654 -11.939 -0.857 1.00 43.43 H new ATOM 822 N VAL A 51 7.460 -8.976 -1.447 1.00 31.23 N ATOM 823 CA VAL A 51 7.215 -7.804 -2.263 1.00 41.21 C ATOM 824 C VAL A 51 8.515 -7.299 -2.895 1.00 64.12 C ATOM 825 O VAL A 51 9.550 -7.203 -2.238 1.00 4.43 O ATOM 826 CB VAL A 51 6.532 -6.673 -1.453 1.00 3.01 C ATOM 827 CG1 VAL A 51 7.410 -6.211 -0.302 1.00 41.04 C ATOM 828 CG2 VAL A 51 6.166 -5.501 -2.355 1.00 60.42 C ATOM 0 H VAL A 51 7.662 -8.779 -0.467 1.00 31.23 H new ATOM 0 HA VAL A 51 6.532 -8.101 -3.059 1.00 41.21 H new ATOM 0 HB VAL A 51 5.613 -7.079 -1.031 1.00 3.01 H new ATOM 0 HG11 VAL A 51 6.903 -5.417 0.247 1.00 41.04 H new ATOM 0 HG12 VAL A 51 7.603 -7.049 0.368 1.00 41.04 H new ATOM 0 HG13 VAL A 51 8.355 -5.835 -0.694 1.00 41.04 H new ATOM 0 HG21 VAL A 51 5.688 -4.721 -1.762 1.00 60.42 H new ATOM 0 HG22 VAL A 51 7.069 -5.103 -2.819 1.00 60.42 H new ATOM 0 HG23 VAL A 51 5.479 -5.839 -3.131 1.00 60.42 H new ATOM 838 N LYS A 52 8.451 -7.021 -4.188 1.00 3.14 N ATOM 839 CA LYS A 52 9.573 -6.453 -4.923 1.00 13.11 C ATOM 840 C LYS A 52 9.127 -5.164 -5.607 1.00 13.44 C ATOM 841 O LYS A 52 7.924 -4.924 -5.731 1.00 74.33 O ATOM 842 CB LYS A 52 10.107 -7.457 -5.961 1.00 13.41 C ATOM 843 CG LYS A 52 9.033 -8.075 -6.845 1.00 54.52 C ATOM 844 CD LYS A 52 8.750 -9.518 -6.448 1.00 42.52 C ATOM 845 CE LYS A 52 9.939 -10.424 -6.737 1.00 40.22 C ATOM 846 NZ LYS A 52 9.678 -11.830 -6.331 1.00 50.51 N ATOM 0 H LYS A 52 7.621 -7.182 -4.758 1.00 3.14 H new ATOM 0 HA LYS A 52 10.381 -6.230 -4.226 1.00 13.11 H new ATOM 0 HB2 LYS A 52 10.837 -6.953 -6.595 1.00 13.41 H new ATOM 0 HB3 LYS A 52 10.635 -8.255 -5.439 1.00 13.41 H new ATOM 0 HG2 LYS A 52 8.117 -7.489 -6.771 1.00 54.52 H new ATOM 0 HG3 LYS A 52 9.351 -8.038 -7.887 1.00 54.52 H new ATOM 0 HD2 LYS A 52 8.508 -9.563 -5.386 1.00 42.52 H new ATOM 0 HD3 LYS A 52 7.876 -9.880 -6.990 1.00 42.52 H new ATOM 0 HE2 LYS A 52 10.170 -10.391 -7.802 1.00 40.22 H new ATOM 0 HE3 LYS A 52 10.816 -10.051 -6.209 1.00 40.22 H new ATOM 0 HZ1 LYS A 52 10.512 -12.414 -6.545 1.00 50.51 H new ATOM 0 HZ2 LYS A 52 9.483 -11.866 -5.310 1.00 50.51 H new ATOM 0 HZ3 LYS A 52 8.857 -12.195 -6.854 1.00 50.51 H new ATOM 860 N PRO A 53 10.078 -4.313 -6.047 1.00 23.21 N ATOM 861 CA PRO A 53 9.768 -3.043 -6.729 1.00 2.43 C ATOM 862 C PRO A 53 8.807 -3.217 -7.905 1.00 63.33 C ATOM 863 O PRO A 53 8.041 -2.311 -8.232 1.00 3.44 O ATOM 864 CB PRO A 53 11.133 -2.561 -7.219 1.00 34.50 C ATOM 865 CG PRO A 53 12.107 -3.168 -6.272 1.00 62.41 C ATOM 866 CD PRO A 53 11.536 -4.508 -5.900 1.00 31.14 C ATOM 0 HA PRO A 53 9.264 -2.343 -6.063 1.00 2.43 H new ATOM 0 HB2 PRO A 53 11.323 -2.882 -8.243 1.00 34.50 H new ATOM 0 HB3 PRO A 53 11.196 -1.473 -7.209 1.00 34.50 H new ATOM 0 HG2 PRO A 53 13.088 -3.276 -6.735 1.00 62.41 H new ATOM 0 HG3 PRO A 53 12.238 -2.541 -5.390 1.00 62.41 H new ATOM 0 HD2 PRO A 53 11.904 -5.297 -6.556 1.00 31.14 H new ATOM 0 HD3 PRO A 53 11.803 -4.790 -4.881 1.00 31.14 H new ATOM 874 N ARG A 54 8.849 -4.390 -8.526 1.00 42.20 N ATOM 875 CA ARG A 54 7.938 -4.727 -9.616 1.00 22.31 C ATOM 876 C ARG A 54 6.480 -4.576 -9.166 1.00 73.13 C ATOM 877 O ARG A 54 5.629 -4.126 -9.929 1.00 23.21 O ATOM 878 CB ARG A 54 8.197 -6.164 -10.078 1.00 22.32 C ATOM 879 CG ARG A 54 8.136 -6.367 -11.586 1.00 61.41 C ATOM 880 CD ARG A 54 6.782 -5.994 -12.167 1.00 45.44 C ATOM 881 NE ARG A 54 6.624 -6.497 -13.528 1.00 74.41 N ATOM 882 CZ ARG A 54 5.822 -5.961 -14.443 1.00 51.10 C ATOM 883 NH1 ARG A 54 5.154 -4.839 -14.187 1.00 23.41 N ATOM 884 NH2 ARG A 54 5.708 -6.545 -15.628 1.00 75.22 N ATOM 0 H ARG A 54 9.510 -5.130 -8.291 1.00 42.20 H new ATOM 0 HA ARG A 54 8.115 -4.043 -10.446 1.00 22.31 H new ATOM 0 HB2 ARG A 54 9.180 -6.474 -9.723 1.00 22.32 H new ATOM 0 HB3 ARG A 54 7.466 -6.820 -9.607 1.00 22.32 H new ATOM 0 HG2 ARG A 54 8.911 -5.766 -12.062 1.00 61.41 H new ATOM 0 HG3 ARG A 54 8.353 -7.409 -11.819 1.00 61.41 H new ATOM 0 HD2 ARG A 54 5.991 -6.398 -11.535 1.00 45.44 H new ATOM 0 HD3 ARG A 54 6.670 -4.910 -12.164 1.00 45.44 H new ATOM 0 HE ARG A 54 7.167 -7.318 -13.796 1.00 74.41 H new ATOM 0 HH11 ARG A 54 5.254 -4.381 -13.281 1.00 23.41 H new ATOM 0 HH12 ARG A 54 4.542 -4.437 -14.897 1.00 23.41 H new ATOM 0 HH21 ARG A 54 6.233 -7.396 -15.830 1.00 75.22 H new ATOM 0 HH22 ARG A 54 5.096 -6.143 -16.338 1.00 75.22 H new ATOM 898 N HIS A 55 6.207 -4.941 -7.916 1.00 63.43 N ATOM 899 CA HIS A 55 4.857 -4.825 -7.369 1.00 12.42 C ATOM 900 C HIS A 55 4.496 -3.361 -7.167 1.00 13.25 C ATOM 901 O HIS A 55 3.348 -2.970 -7.356 1.00 4.44 O ATOM 902 CB HIS A 55 4.706 -5.587 -6.045 1.00 63.31 C ATOM 903 CG HIS A 55 4.782 -7.080 -6.176 1.00 55.40 C ATOM 904 ND1 HIS A 55 4.241 -7.780 -7.232 1.00 44.42 N ATOM 905 CD2 HIS A 55 5.346 -8.008 -5.368 1.00 62.13 C ATOM 906 CE1 HIS A 55 4.470 -9.068 -7.068 1.00 70.14 C ATOM 907 NE2 HIS A 55 5.138 -9.235 -5.945 1.00 3.23 N ATOM 0 H HIS A 55 6.897 -5.317 -7.266 1.00 63.43 H new ATOM 0 HA HIS A 55 4.174 -5.274 -8.090 1.00 12.42 H new ATOM 0 HB2 HIS A 55 5.484 -5.255 -5.358 1.00 63.31 H new ATOM 0 HB3 HIS A 55 3.749 -5.322 -5.595 1.00 63.31 H new ATOM 0 HD2 HIS A 55 5.864 -7.817 -4.440 1.00 62.13 H new ATOM 0 HE1 HIS A 55 4.162 -9.854 -7.741 1.00 70.14 H new ATOM 0 HE2 HIS A 55 5.449 -10.130 -5.567 1.00 3.23 H new ATOM 916 N ILE A 56 5.486 -2.559 -6.778 1.00 52.42 N ATOM 917 CA ILE A 56 5.288 -1.122 -6.603 1.00 45.30 C ATOM 918 C ILE A 56 4.875 -0.488 -7.929 1.00 1.22 C ATOM 919 O ILE A 56 4.024 0.399 -7.973 1.00 44.12 O ATOM 920 CB ILE A 56 6.569 -0.428 -6.077 1.00 45.03 C ATOM 921 CG1 ILE A 56 7.047 -1.085 -4.776 1.00 52.14 C ATOM 922 CG2 ILE A 56 6.327 1.062 -5.861 1.00 62.50 C ATOM 923 CD1 ILE A 56 6.032 -1.036 -3.650 1.00 71.43 C ATOM 0 H ILE A 56 6.433 -2.880 -6.578 1.00 52.42 H new ATOM 0 HA ILE A 56 4.499 -0.985 -5.863 1.00 45.30 H new ATOM 0 HB ILE A 56 7.349 -0.545 -6.829 1.00 45.03 H new ATOM 0 HG12 ILE A 56 7.300 -2.126 -4.978 1.00 52.14 H new ATOM 0 HG13 ILE A 56 7.962 -0.593 -4.448 1.00 52.14 H new ATOM 0 HG21 ILE A 56 7.240 1.529 -5.491 1.00 62.50 H new ATOM 0 HG22 ILE A 56 6.039 1.525 -6.805 1.00 62.50 H new ATOM 0 HG23 ILE A 56 5.529 1.199 -5.132 1.00 62.50 H new ATOM 0 HD11 ILE A 56 6.446 -1.521 -2.766 1.00 71.43 H new ATOM 0 HD12 ILE A 56 5.796 0.003 -3.417 1.00 71.43 H new ATOM 0 HD13 ILE A 56 5.123 -1.554 -3.956 1.00 71.43 H new ATOM 935 N ASP A 57 5.473 -0.967 -9.010 1.00 65.50 N ATOM 936 CA ASP A 57 5.099 -0.529 -10.347 1.00 0.33 C ATOM 937 C ASP A 57 3.679 -0.970 -10.665 1.00 3.32 C ATOM 938 O ASP A 57 2.850 -0.168 -11.093 1.00 62.35 O ATOM 939 CB ASP A 57 6.071 -1.101 -11.387 1.00 22.15 C ATOM 940 CG ASP A 57 5.568 -0.956 -12.814 1.00 74.10 C ATOM 941 OD1 ASP A 57 5.677 0.153 -13.383 1.00 52.42 O ATOM 942 OD2 ASP A 57 5.075 -1.957 -13.380 1.00 20.32 O ATOM 0 H ASP A 57 6.221 -1.660 -8.987 1.00 65.50 H new ATOM 0 HA ASP A 57 5.148 0.559 -10.382 1.00 0.33 H new ATOM 0 HB2 ASP A 57 7.033 -0.596 -11.294 1.00 22.15 H new ATOM 0 HB3 ASP A 57 6.243 -2.156 -11.174 1.00 22.15 H new ATOM 947 N ASP A 58 3.403 -2.245 -10.410 1.00 13.51 N ATOM 948 CA ASP A 58 2.112 -2.847 -10.742 1.00 62.33 C ATOM 949 C ASP A 58 0.956 -2.175 -9.998 1.00 24.34 C ATOM 950 O ASP A 58 -0.136 -2.022 -10.549 1.00 34.54 O ATOM 951 CB ASP A 58 2.136 -4.349 -10.441 1.00 3.30 C ATOM 952 CG ASP A 58 0.851 -5.050 -10.840 1.00 4.43 C ATOM 953 OD1 ASP A 58 0.516 -5.058 -12.042 1.00 53.32 O ATOM 954 OD2 ASP A 58 0.170 -5.603 -9.950 1.00 30.53 O ATOM 0 H ASP A 58 4.062 -2.888 -9.970 1.00 13.51 H new ATOM 0 HA ASP A 58 1.945 -2.695 -11.808 1.00 62.33 H new ATOM 0 HB2 ASP A 58 2.973 -4.807 -10.968 1.00 3.30 H new ATOM 0 HB3 ASP A 58 2.310 -4.498 -9.375 1.00 3.30 H new ATOM 959 N VAL A 59 1.184 -1.767 -8.753 1.00 44.32 N ATOM 960 CA VAL A 59 0.142 -1.088 -7.989 1.00 41.43 C ATOM 961 C VAL A 59 -0.051 0.347 -8.482 1.00 3.13 C ATOM 962 O VAL A 59 -1.181 0.797 -8.674 1.00 21.24 O ATOM 963 CB VAL A 59 0.418 -1.103 -6.459 1.00 2.10 C ATOM 964 CG1 VAL A 59 1.777 -0.509 -6.125 1.00 31.21 C ATOM 965 CG2 VAL A 59 -0.675 -0.363 -5.702 1.00 11.43 C ATOM 0 H VAL A 59 2.067 -1.892 -8.258 1.00 44.32 H new ATOM 0 HA VAL A 59 -0.779 -1.646 -8.156 1.00 41.43 H new ATOM 0 HB VAL A 59 0.420 -2.147 -6.145 1.00 2.10 H new ATOM 0 HG11 VAL A 59 1.932 -0.538 -5.046 1.00 31.21 H new ATOM 0 HG12 VAL A 59 2.558 -1.087 -6.619 1.00 31.21 H new ATOM 0 HG13 VAL A 59 1.817 0.524 -6.470 1.00 31.21 H new ATOM 0 HG21 VAL A 59 -0.459 -0.388 -4.634 1.00 11.43 H new ATOM 0 HG22 VAL A 59 -0.715 0.672 -6.040 1.00 11.43 H new ATOM 0 HG23 VAL A 59 -1.636 -0.843 -5.889 1.00 11.43 H new ATOM 975 N LEU A 60 1.050 1.049 -8.725 1.00 23.13 N ATOM 976 CA LEU A 60 0.986 2.440 -9.162 1.00 4.24 C ATOM 977 C LEU A 60 0.403 2.550 -10.567 1.00 30.25 C ATOM 978 O LEU A 60 -0.382 3.453 -10.847 1.00 40.14 O ATOM 979 CB LEU A 60 2.371 3.091 -9.117 1.00 74.45 C ATOM 980 CG LEU A 60 2.964 3.276 -7.719 1.00 22.11 C ATOM 981 CD1 LEU A 60 4.329 3.939 -7.806 1.00 51.11 C ATOM 982 CD2 LEU A 60 2.033 4.097 -6.840 1.00 30.42 C ATOM 0 H LEU A 60 1.996 0.680 -8.627 1.00 23.13 H new ATOM 0 HA LEU A 60 0.328 2.970 -8.473 1.00 4.24 H new ATOM 0 HB2 LEU A 60 3.058 2.485 -9.707 1.00 74.45 H new ATOM 0 HB3 LEU A 60 2.311 4.066 -9.600 1.00 74.45 H new ATOM 0 HG LEU A 60 3.081 2.291 -7.266 1.00 22.11 H new ATOM 0 HD11 LEU A 60 4.738 4.064 -6.803 1.00 51.11 H new ATOM 0 HD12 LEU A 60 5.000 3.315 -8.396 1.00 51.11 H new ATOM 0 HD13 LEU A 60 4.230 4.915 -8.281 1.00 51.11 H new ATOM 0 HD21 LEU A 60 2.476 4.215 -5.851 1.00 30.42 H new ATOM 0 HD22 LEU A 60 1.880 5.079 -7.289 1.00 30.42 H new ATOM 0 HD23 LEU A 60 1.074 3.587 -6.749 1.00 30.42 H new ATOM 994 N LYS A 61 0.776 1.635 -11.448 1.00 1.12 N ATOM 995 CA LYS A 61 0.246 1.650 -12.802 1.00 10.03 C ATOM 996 C LYS A 61 -1.245 1.330 -12.793 1.00 13.54 C ATOM 997 O LYS A 61 -2.000 1.819 -13.629 1.00 52.12 O ATOM 998 CB LYS A 61 1.011 0.682 -13.706 1.00 43.35 C ATOM 999 CG LYS A 61 0.842 -0.786 -13.352 1.00 34.42 C ATOM 1000 CD LYS A 61 1.722 -1.663 -14.224 1.00 25.21 C ATOM 1001 CE LYS A 61 1.443 -1.427 -15.697 1.00 23.04 C ATOM 1002 NZ LYS A 61 2.384 -2.174 -16.568 1.00 32.03 N ATOM 0 H LYS A 61 1.435 0.881 -11.254 1.00 1.12 H new ATOM 0 HA LYS A 61 0.379 2.653 -13.209 1.00 10.03 H new ATOM 0 HB2 LYS A 61 0.685 0.833 -14.735 1.00 43.35 H new ATOM 0 HB3 LYS A 61 2.071 0.931 -13.667 1.00 43.35 H new ATOM 0 HG2 LYS A 61 1.094 -0.942 -12.303 1.00 34.42 H new ATOM 0 HG3 LYS A 61 -0.202 -1.075 -13.476 1.00 34.42 H new ATOM 0 HD2 LYS A 61 2.771 -1.456 -14.012 1.00 25.21 H new ATOM 0 HD3 LYS A 61 1.549 -2.712 -13.982 1.00 25.21 H new ATOM 0 HE2 LYS A 61 0.421 -1.729 -15.925 1.00 23.04 H new ATOM 0 HE3 LYS A 61 1.517 -0.361 -15.914 1.00 23.04 H new ATOM 0 HZ1 LYS A 61 2.158 -1.985 -17.565 1.00 32.03 H new ATOM 0 HZ2 LYS A 61 3.358 -1.868 -16.369 1.00 32.03 H new ATOM 0 HZ3 LYS A 61 2.296 -3.193 -16.380 1.00 32.03 H new ATOM 1016 N ALA A 62 -1.665 0.509 -11.835 1.00 55.53 N ATOM 1017 CA ALA A 62 -3.072 0.177 -11.675 1.00 15.42 C ATOM 1018 C ALA A 62 -3.862 1.389 -11.190 1.00 12.04 C ATOM 1019 O ALA A 62 -4.869 1.767 -11.796 1.00 44.13 O ATOM 1020 CB ALA A 62 -3.239 -0.984 -10.708 1.00 61.10 C ATOM 0 H ALA A 62 -1.047 0.062 -11.158 1.00 55.53 H new ATOM 0 HA ALA A 62 -3.464 -0.121 -12.648 1.00 15.42 H new ATOM 0 HB1 ALA A 62 -4.298 -1.219 -10.601 1.00 61.10 H new ATOM 0 HB2 ALA A 62 -2.711 -1.857 -11.093 1.00 61.10 H new ATOM 0 HB3 ALA A 62 -2.828 -0.710 -9.736 1.00 61.10 H new ATOM 1026 N VAL A 63 -3.388 2.010 -10.112 1.00 3.03 N ATOM 1027 CA VAL A 63 -4.084 3.146 -9.511 1.00 25.41 C ATOM 1028 C VAL A 63 -4.131 4.350 -10.453 1.00 64.53 C ATOM 1029 O VAL A 63 -5.087 5.122 -10.436 1.00 43.11 O ATOM 1030 CB VAL A 63 -3.461 3.560 -8.153 1.00 64.12 C ATOM 1031 CG1 VAL A 63 -3.609 2.444 -7.133 1.00 34.31 C ATOM 1032 CG2 VAL A 63 -2.002 3.953 -8.306 1.00 2.35 C ATOM 0 H VAL A 63 -2.525 1.746 -9.637 1.00 3.03 H new ATOM 0 HA VAL A 63 -5.105 2.812 -9.329 1.00 25.41 H new ATOM 0 HB VAL A 63 -4.004 4.434 -7.794 1.00 64.12 H new ATOM 0 HG11 VAL A 63 -3.165 2.755 -6.187 1.00 34.31 H new ATOM 0 HG12 VAL A 63 -4.666 2.225 -6.984 1.00 34.31 H new ATOM 0 HG13 VAL A 63 -3.102 1.550 -7.496 1.00 34.31 H new ATOM 0 HG21 VAL A 63 -1.598 4.237 -7.334 1.00 2.35 H new ATOM 0 HG22 VAL A 63 -1.437 3.109 -8.701 1.00 2.35 H new ATOM 0 HG23 VAL A 63 -1.922 4.796 -8.993 1.00 2.35 H new ATOM 1042 N MET A 64 -3.109 4.505 -11.285 1.00 55.40 N ATOM 1043 CA MET A 64 -3.086 5.598 -12.249 1.00 51.20 C ATOM 1044 C MET A 64 -3.982 5.297 -13.443 1.00 63.32 C ATOM 1045 O MET A 64 -4.440 6.210 -14.127 1.00 12.10 O ATOM 1046 CB MET A 64 -1.663 5.878 -12.732 1.00 14.12 C ATOM 1047 CG MET A 64 -0.754 6.454 -11.660 1.00 31.24 C ATOM 1048 SD MET A 64 0.853 6.949 -12.312 1.00 1.25 S ATOM 1049 CE MET A 64 1.484 5.383 -12.914 1.00 73.00 C ATOM 0 H MET A 64 -2.292 3.894 -11.313 1.00 55.40 H new ATOM 0 HA MET A 64 -3.465 6.484 -11.740 1.00 51.20 H new ATOM 0 HB2 MET A 64 -1.227 4.951 -13.105 1.00 14.12 H new ATOM 0 HB3 MET A 64 -1.704 6.572 -13.572 1.00 14.12 H new ATOM 0 HG2 MET A 64 -1.238 7.317 -11.202 1.00 31.24 H new ATOM 0 HG3 MET A 64 -0.611 5.714 -10.873 1.00 31.24 H new ATOM 0 HE1 MET A 64 2.525 5.502 -13.216 1.00 73.00 H new ATOM 0 HE2 MET A 64 1.418 4.636 -12.123 1.00 73.00 H new ATOM 0 HE3 MET A 64 0.893 5.058 -13.770 1.00 73.00 H new ATOM 1059 N LYS A 65 -4.235 4.019 -13.689 1.00 21.10 N ATOM 1060 CA LYS A 65 -5.036 3.608 -14.819 1.00 42.11 C ATOM 1061 C LYS A 65 -6.521 3.736 -14.486 1.00 50.12 C ATOM 1062 O LYS A 65 -7.293 4.313 -15.252 1.00 51.33 O ATOM 1063 CB LYS A 65 -4.661 2.170 -15.192 1.00 43.11 C ATOM 1064 CG LYS A 65 -5.273 1.684 -16.487 1.00 41.43 C ATOM 1065 CD LYS A 65 -6.664 1.126 -16.276 1.00 15.00 C ATOM 1066 CE LYS A 65 -6.628 -0.276 -15.691 1.00 31.23 C ATOM 1067 NZ LYS A 65 -7.923 -0.981 -15.876 1.00 53.35 N ATOM 0 H LYS A 65 -3.892 3.250 -13.114 1.00 21.10 H new ATOM 0 HA LYS A 65 -4.840 4.253 -15.675 1.00 42.11 H new ATOM 0 HB2 LYS A 65 -3.576 2.097 -15.267 1.00 43.11 H new ATOM 0 HB3 LYS A 65 -4.970 1.505 -14.385 1.00 43.11 H new ATOM 0 HG2 LYS A 65 -5.316 2.507 -17.200 1.00 41.43 H new ATOM 0 HG3 LYS A 65 -4.636 0.916 -16.925 1.00 41.43 H new ATOM 0 HD2 LYS A 65 -7.222 1.784 -15.609 1.00 15.00 H new ATOM 0 HD3 LYS A 65 -7.197 1.109 -17.227 1.00 15.00 H new ATOM 0 HE2 LYS A 65 -5.831 -0.848 -16.166 1.00 31.23 H new ATOM 0 HE3 LYS A 65 -6.392 -0.221 -14.628 1.00 31.23 H new ATOM 0 HZ1 LYS A 65 -7.861 -1.934 -15.465 1.00 53.35 H new ATOM 0 HZ2 LYS A 65 -8.679 -0.448 -15.402 1.00 53.35 H new ATOM 0 HZ3 LYS A 65 -8.136 -1.055 -16.891 1.00 53.35 H new ATOM 1081 N ARG A 66 -6.911 3.198 -13.336 1.00 35.12 N ATOM 1082 CA ARG A 66 -8.294 3.295 -12.873 1.00 42.45 C ATOM 1083 C ARG A 66 -8.564 4.659 -12.237 1.00 71.41 C ATOM 1084 O ARG A 66 -9.714 5.023 -11.988 1.00 4.11 O ATOM 1085 CB ARG A 66 -8.610 2.184 -11.866 1.00 72.44 C ATOM 1086 CG ARG A 66 -7.733 2.209 -10.624 1.00 22.50 C ATOM 1087 CD ARG A 66 -8.177 1.170 -9.611 1.00 53.31 C ATOM 1088 NE ARG A 66 -9.438 1.534 -8.960 1.00 51.42 N ATOM 1089 CZ ARG A 66 -10.622 0.996 -9.259 1.00 32.34 C ATOM 1090 NH1 ARG A 66 -10.719 0.046 -10.177 1.00 35.22 N ATOM 1091 NH2 ARG A 66 -11.707 1.395 -8.616 1.00 21.13 N ATOM 0 H ARG A 66 -6.291 2.690 -12.706 1.00 35.12 H new ATOM 0 HA ARG A 66 -8.941 3.179 -13.742 1.00 42.45 H new ATOM 0 HB2 ARG A 66 -9.654 2.268 -11.563 1.00 72.44 H new ATOM 0 HB3 ARG A 66 -8.498 1.218 -12.359 1.00 72.44 H new ATOM 0 HG2 ARG A 66 -6.696 2.025 -10.905 1.00 22.50 H new ATOM 0 HG3 ARG A 66 -7.769 3.200 -10.171 1.00 22.50 H new ATOM 0 HD2 ARG A 66 -8.292 0.207 -10.108 1.00 53.31 H new ATOM 0 HD3 ARG A 66 -7.402 1.048 -8.855 1.00 53.31 H new ATOM 0 HE ARG A 66 -9.409 2.246 -8.230 1.00 51.42 H new ATOM 0 HH11 ARG A 66 -9.884 -0.281 -10.663 1.00 35.22 H new ATOM 0 HH12 ARG A 66 -11.629 -0.359 -10.398 1.00 35.22 H new ATOM 0 HH21 ARG A 66 -11.637 2.112 -7.894 1.00 21.13 H new ATOM 0 HH22 ARG A 66 -12.613 0.986 -8.842 1.00 21.13 H new ATOM 1105 N GLY A 67 -7.504 5.406 -11.970 1.00 63.35 N ATOM 1106 CA GLY A 67 -7.650 6.716 -11.369 1.00 61.21 C ATOM 1107 C GLY A 67 -6.804 7.762 -12.062 1.00 40.31 C ATOM 1108 O GLY A 67 -6.992 8.032 -13.248 1.00 64.11 O ATOM 0 H GLY A 67 -6.541 5.128 -12.159 1.00 63.35 H new ATOM 0 HA2 GLY A 67 -8.697 7.016 -11.406 1.00 61.21 H new ATOM 0 HA3 GLY A 67 -7.370 6.664 -10.317 1.00 61.21 H new ATOM 1112 N ALA A 68 -5.862 8.334 -11.327 1.00 15.01 N ATOM 1113 CA ALA A 68 -5.018 9.396 -11.846 1.00 30.53 C ATOM 1114 C ALA A 68 -3.645 9.361 -11.178 1.00 61.23 C ATOM 1115 O ALA A 68 -3.512 8.871 -10.055 1.00 64.22 O ATOM 1116 CB ALA A 68 -5.685 10.749 -11.624 1.00 34.32 C ATOM 0 H ALA A 68 -5.663 8.076 -10.360 1.00 15.01 H new ATOM 0 HA ALA A 68 -4.882 9.244 -12.917 1.00 30.53 H new ATOM 0 HB1 ALA A 68 -5.045 11.539 -12.016 1.00 34.32 H new ATOM 0 HB2 ALA A 68 -6.645 10.770 -12.140 1.00 34.32 H new ATOM 0 HB3 ALA A 68 -5.843 10.906 -10.557 1.00 34.32 H new ATOM 1122 N PRO A 69 -2.604 9.881 -11.857 1.00 45.45 N ATOM 1123 CA PRO A 69 -1.237 9.930 -11.314 1.00 34.14 C ATOM 1124 C PRO A 69 -1.148 10.748 -10.028 1.00 5.41 C ATOM 1125 O PRO A 69 -0.237 10.560 -9.219 1.00 34.23 O ATOM 1126 CB PRO A 69 -0.419 10.598 -12.429 1.00 62.23 C ATOM 1127 CG PRO A 69 -1.421 11.277 -13.298 1.00 12.14 C ATOM 1128 CD PRO A 69 -2.669 10.447 -13.216 1.00 73.15 C ATOM 0 HA PRO A 69 -0.879 8.936 -11.046 1.00 34.14 H new ATOM 0 HB2 PRO A 69 0.295 11.313 -12.019 1.00 62.23 H new ATOM 0 HB3 PRO A 69 0.155 9.861 -12.991 1.00 62.23 H new ATOM 0 HG2 PRO A 69 -1.607 12.296 -12.957 1.00 12.14 H new ATOM 0 HG3 PRO A 69 -1.064 11.345 -14.326 1.00 12.14 H new ATOM 0 HD2 PRO A 69 -3.565 11.051 -13.359 1.00 73.15 H new ATOM 0 HD3 PRO A 69 -2.685 9.667 -13.977 1.00 73.15 H new ATOM 1136 N SER A 70 -2.107 11.646 -9.845 1.00 52.55 N ATOM 1137 CA SER A 70 -2.180 12.470 -8.650 1.00 72.54 C ATOM 1138 C SER A 70 -2.324 11.594 -7.403 1.00 33.53 C ATOM 1139 O SER A 70 -1.774 11.904 -6.344 1.00 41.20 O ATOM 1140 CB SER A 70 -3.369 13.426 -8.772 1.00 41.23 C ATOM 1141 OG SER A 70 -3.438 13.973 -10.081 1.00 42.14 O ATOM 0 H SER A 70 -2.852 11.822 -10.519 1.00 52.55 H new ATOM 0 HA SER A 70 -1.260 13.047 -8.552 1.00 72.54 H new ATOM 0 HB2 SER A 70 -4.294 12.896 -8.544 1.00 41.23 H new ATOM 0 HB3 SER A 70 -3.274 14.229 -8.041 1.00 41.23 H new ATOM 0 HG SER A 70 -4.205 14.580 -10.142 1.00 42.14 H new ATOM 1147 N ILE A 71 -3.037 10.479 -7.551 1.00 2.14 N ATOM 1148 CA ILE A 71 -3.273 9.559 -6.444 1.00 54.54 C ATOM 1149 C ILE A 71 -2.015 8.755 -6.134 1.00 35.21 C ATOM 1150 O ILE A 71 -1.723 8.467 -4.976 1.00 21.23 O ATOM 1151 CB ILE A 71 -4.426 8.581 -6.770 1.00 72.43 C ATOM 1152 CG1 ILE A 71 -5.685 9.351 -7.177 1.00 72.22 C ATOM 1153 CG2 ILE A 71 -4.719 7.679 -5.578 1.00 10.44 C ATOM 1154 CD1 ILE A 71 -6.837 8.458 -7.594 1.00 22.43 C ATOM 0 H ILE A 71 -3.463 10.191 -8.432 1.00 2.14 H new ATOM 0 HA ILE A 71 -3.546 10.158 -5.576 1.00 54.54 H new ATOM 0 HB ILE A 71 -4.116 7.956 -7.607 1.00 72.43 H new ATOM 0 HG12 ILE A 71 -6.004 9.975 -6.342 1.00 72.22 H new ATOM 0 HG13 ILE A 71 -5.440 10.021 -8.001 1.00 72.22 H new ATOM 0 HG21 ILE A 71 -5.533 6.999 -5.828 1.00 10.44 H new ATOM 0 HG22 ILE A 71 -3.828 7.103 -5.330 1.00 10.44 H new ATOM 0 HG23 ILE A 71 -5.006 8.289 -4.722 1.00 10.44 H new ATOM 0 HD11 ILE A 71 -7.694 9.074 -7.868 1.00 22.43 H new ATOM 0 HD12 ILE A 71 -6.537 7.852 -8.449 1.00 22.43 H new ATOM 0 HD13 ILE A 71 -7.110 7.805 -6.765 1.00 22.43 H new ATOM 1166 N ALA A 72 -1.259 8.431 -7.181 1.00 62.32 N ATOM 1167 CA ALA A 72 -0.081 7.569 -7.060 1.00 34.52 C ATOM 1168 C ALA A 72 0.911 8.085 -6.022 1.00 62.23 C ATOM 1169 O ALA A 72 1.538 7.298 -5.313 1.00 24.32 O ATOM 1170 CB ALA A 72 0.603 7.424 -8.408 1.00 70.23 C ATOM 0 H ALA A 72 -1.442 8.755 -8.131 1.00 62.32 H new ATOM 0 HA ALA A 72 -0.429 6.594 -6.720 1.00 34.52 H new ATOM 0 HB1 ALA A 72 1.477 6.781 -8.305 1.00 70.23 H new ATOM 0 HB2 ALA A 72 -0.091 6.981 -9.122 1.00 70.23 H new ATOM 0 HB3 ALA A 72 0.915 8.405 -8.765 1.00 70.23 H new ATOM 1176 N ASN A 73 1.048 9.404 -5.932 1.00 3.23 N ATOM 1177 CA ASN A 73 1.946 10.015 -4.954 1.00 52.10 C ATOM 1178 C ASN A 73 1.541 9.620 -3.540 1.00 62.31 C ATOM 1179 O ASN A 73 2.378 9.215 -2.734 1.00 43.33 O ATOM 1180 CB ASN A 73 1.942 11.543 -5.083 1.00 12.45 C ATOM 1181 CG ASN A 73 2.527 12.028 -6.396 1.00 4.42 C ATOM 1182 OD1 ASN A 73 3.737 12.229 -6.517 1.00 15.45 O ATOM 1183 ND2 ASN A 73 1.670 12.244 -7.382 1.00 12.22 N ATOM 0 H ASN A 73 0.550 10.071 -6.522 1.00 3.23 H new ATOM 0 HA ASN A 73 2.954 9.651 -5.154 1.00 52.10 H new ATOM 0 HB2 ASN A 73 0.919 11.907 -4.991 1.00 12.45 H new ATOM 0 HB3 ASN A 73 2.509 11.973 -4.258 1.00 12.45 H new ATOM 0 HD21 ASN A 73 2.004 12.589 -8.282 1.00 12.22 H new ATOM 0 HD22 ASN A 73 0.676 12.065 -7.242 1.00 12.22 H new ATOM 1190 N ASP A 74 0.249 9.712 -3.254 1.00 23.35 N ATOM 1191 CA ASP A 74 -0.268 9.350 -1.940 1.00 63.42 C ATOM 1192 C ASP A 74 -0.306 7.839 -1.771 1.00 22.31 C ATOM 1193 O ASP A 74 -0.135 7.333 -0.665 1.00 75.40 O ATOM 1194 CB ASP A 74 -1.655 9.949 -1.710 1.00 63.13 C ATOM 1195 CG ASP A 74 -1.584 11.406 -1.305 1.00 41.30 C ATOM 1196 OD1 ASP A 74 -1.031 11.701 -0.224 1.00 22.33 O ATOM 1197 OD2 ASP A 74 -2.081 12.268 -2.062 1.00 34.41 O ATOM 0 H ASP A 74 -0.460 10.034 -3.913 1.00 23.35 H new ATOM 0 HA ASP A 74 0.408 9.763 -1.192 1.00 63.42 H new ATOM 0 HB2 ASP A 74 -2.246 9.854 -2.621 1.00 63.13 H new ATOM 0 HB3 ASP A 74 -2.171 9.382 -0.935 1.00 63.13 H new ATOM 1202 N THR A 75 -0.519 7.123 -2.870 1.00 15.04 N ATOM 1203 CA THR A 75 -0.462 5.667 -2.850 1.00 24.54 C ATOM 1204 C THR A 75 0.922 5.203 -2.400 1.00 64.12 C ATOM 1205 O THR A 75 1.047 4.309 -1.565 1.00 32.24 O ATOM 1206 CB THR A 75 -0.783 5.071 -4.236 1.00 21.55 C ATOM 1207 OG1 THR A 75 -2.049 5.561 -4.694 1.00 21.11 O ATOM 1208 CG2 THR A 75 -0.820 3.550 -4.187 1.00 11.41 C ATOM 0 H THR A 75 -0.732 7.526 -3.782 1.00 15.04 H new ATOM 0 HA THR A 75 -1.214 5.314 -2.145 1.00 24.54 H new ATOM 0 HB THR A 75 0.005 5.376 -4.924 1.00 21.55 H new ATOM 0 HG1 THR A 75 -1.968 6.509 -4.928 1.00 21.11 H new ATOM 0 HG21 THR A 75 -1.049 3.159 -5.179 1.00 11.41 H new ATOM 0 HG22 THR A 75 0.150 3.173 -3.863 1.00 11.41 H new ATOM 0 HG23 THR A 75 -1.588 3.227 -3.484 1.00 11.41 H new ATOM 1216 N LEU A 76 1.957 5.838 -2.942 1.00 62.11 N ATOM 1217 CA LEU A 76 3.333 5.535 -2.564 1.00 25.42 C ATOM 1218 C LEU A 76 3.553 5.876 -1.093 1.00 63.53 C ATOM 1219 O LEU A 76 4.219 5.139 -0.368 1.00 71.43 O ATOM 1220 CB LEU A 76 4.309 6.307 -3.468 1.00 73.25 C ATOM 1221 CG LEU A 76 5.791 5.918 -3.349 1.00 53.32 C ATOM 1222 CD1 LEU A 76 6.528 6.259 -4.632 1.00 1.40 C ATOM 1223 CD2 LEU A 76 6.452 6.629 -2.178 1.00 53.14 C ATOM 0 H LEU A 76 1.868 6.569 -3.648 1.00 62.11 H new ATOM 0 HA LEU A 76 3.521 4.470 -2.698 1.00 25.42 H new ATOM 0 HB2 LEU A 76 4.000 6.168 -4.504 1.00 73.25 H new ATOM 0 HB3 LEU A 76 4.214 7.370 -3.246 1.00 73.25 H new ATOM 0 HG LEU A 76 5.841 4.843 -3.175 1.00 53.32 H new ATOM 0 HD11 LEU A 76 7.577 5.979 -4.535 1.00 1.40 H new ATOM 0 HD12 LEU A 76 6.082 5.713 -5.464 1.00 1.40 H new ATOM 0 HD13 LEU A 76 6.455 7.330 -4.820 1.00 1.40 H new ATOM 0 HD21 LEU A 76 7.500 6.335 -2.118 1.00 53.14 H new ATOM 0 HD22 LEU A 76 6.386 7.707 -2.323 1.00 53.14 H new ATOM 0 HD23 LEU A 76 5.945 6.355 -1.253 1.00 53.14 H new ATOM 1235 N ARG A 77 2.972 6.990 -0.658 1.00 11.31 N ATOM 1236 CA ARG A 77 3.042 7.400 0.742 1.00 34.52 C ATOM 1237 C ARG A 77 2.415 6.342 1.646 1.00 34.33 C ATOM 1238 O ARG A 77 2.967 5.997 2.693 1.00 42.02 O ATOM 1239 CB ARG A 77 2.343 8.748 0.946 1.00 45.34 C ATOM 1240 CG ARG A 77 3.032 9.899 0.234 1.00 65.55 C ATOM 1241 CD ARG A 77 2.213 11.177 0.306 1.00 34.32 C ATOM 1242 NE ARG A 77 2.888 12.287 -0.364 1.00 35.32 N ATOM 1243 CZ ARG A 77 2.261 13.343 -0.882 1.00 12.31 C ATOM 1244 NH1 ARG A 77 0.935 13.423 -0.844 1.00 70.22 N ATOM 1245 NH2 ARG A 77 2.964 14.308 -1.460 1.00 52.31 N ATOM 0 H ARG A 77 2.446 7.627 -1.256 1.00 11.31 H new ATOM 0 HA ARG A 77 4.093 7.508 1.010 1.00 34.52 H new ATOM 0 HB2 ARG A 77 1.315 8.673 0.590 1.00 45.34 H new ATOM 0 HB3 ARG A 77 2.296 8.967 2.013 1.00 45.34 H new ATOM 0 HG2 ARG A 77 4.011 10.069 0.681 1.00 65.55 H new ATOM 0 HG3 ARG A 77 3.200 9.633 -0.810 1.00 65.55 H new ATOM 0 HD2 ARG A 77 1.239 11.012 -0.154 1.00 34.32 H new ATOM 0 HD3 ARG A 77 2.033 11.436 1.349 1.00 34.32 H new ATOM 0 HE ARG A 77 3.905 12.251 -0.440 1.00 35.32 H new ATOM 0 HH11 ARG A 77 0.391 12.674 -0.417 1.00 70.22 H new ATOM 0 HH12 ARG A 77 0.461 14.234 -1.242 1.00 70.22 H new ATOM 0 HH21 ARG A 77 3.981 14.240 -1.507 1.00 52.31 H new ATOM 0 HH22 ARG A 77 2.488 15.118 -1.858 1.00 52.31 H new ATOM 1259 N TRP A 78 1.263 5.828 1.228 1.00 74.13 N ATOM 1260 CA TRP A 78 0.579 4.768 1.959 1.00 21.14 C ATOM 1261 C TRP A 78 1.404 3.488 1.958 1.00 35.30 C ATOM 1262 O TRP A 78 1.549 2.841 2.992 1.00 41.42 O ATOM 1263 CB TRP A 78 -0.802 4.512 1.355 1.00 71.54 C ATOM 1264 CG TRP A 78 -1.923 5.071 2.175 1.00 50.43 C ATOM 1265 CD1 TRP A 78 -2.966 4.372 2.714 1.00 30.13 C ATOM 1266 CD2 TRP A 78 -2.113 6.439 2.564 1.00 62.30 C ATOM 1267 NE1 TRP A 78 -3.798 5.220 3.405 1.00 63.41 N ATOM 1268 CE2 TRP A 78 -3.295 6.494 3.327 1.00 24.35 C ATOM 1269 CE3 TRP A 78 -1.404 7.623 2.335 1.00 63.14 C ATOM 1270 CZ2 TRP A 78 -3.779 7.683 3.866 1.00 1.51 C ATOM 1271 CZ3 TRP A 78 -1.886 8.802 2.873 1.00 74.32 C ATOM 1272 CH2 TRP A 78 -3.065 8.824 3.629 1.00 20.25 C ATOM 0 H TRP A 78 0.781 6.131 0.381 1.00 74.13 H new ATOM 0 HA TRP A 78 0.455 5.092 2.992 1.00 21.14 H new ATOM 0 HB2 TRP A 78 -0.840 4.947 0.356 1.00 71.54 H new ATOM 0 HB3 TRP A 78 -0.947 3.438 1.240 1.00 71.54 H new ATOM 0 HD1 TRP A 78 -3.115 3.307 2.612 1.00 30.13 H new ATOM 0 HE1 TRP A 78 -4.650 4.947 3.895 1.00 63.41 H new ATOM 0 HE3 TRP A 78 -0.497 7.616 1.749 1.00 63.14 H new ATOM 0 HZ2 TRP A 78 -4.687 7.703 4.451 1.00 1.51 H new ATOM 0 HZ3 TRP A 78 -1.344 9.722 2.708 1.00 74.32 H new ATOM 0 HH2 TRP A 78 -3.417 9.762 4.033 1.00 20.25 H new ATOM 1283 N LEU A 79 1.956 3.135 0.800 1.00 11.12 N ATOM 1284 CA LEU A 79 2.822 1.965 0.685 1.00 30.13 C ATOM 1285 C LEU A 79 4.002 2.081 1.641 1.00 24.13 C ATOM 1286 O LEU A 79 4.326 1.138 2.363 1.00 21.22 O ATOM 1287 CB LEU A 79 3.343 1.815 -0.748 1.00 42.11 C ATOM 1288 CG LEU A 79 2.283 1.508 -1.807 1.00 51.32 C ATOM 1289 CD1 LEU A 79 2.893 1.558 -3.199 1.00 24.42 C ATOM 1290 CD2 LEU A 79 1.654 0.148 -1.551 1.00 74.05 C ATOM 0 H LEU A 79 1.819 3.644 -0.073 1.00 11.12 H new ATOM 0 HA LEU A 79 2.233 1.085 0.943 1.00 30.13 H new ATOM 0 HB2 LEU A 79 3.855 2.736 -1.028 1.00 42.11 H new ATOM 0 HB3 LEU A 79 4.088 1.019 -0.764 1.00 42.11 H new ATOM 0 HG LEU A 79 1.503 2.266 -1.744 1.00 51.32 H new ATOM 0 HD11 LEU A 79 2.125 1.337 -3.941 1.00 24.42 H new ATOM 0 HD12 LEU A 79 3.300 2.553 -3.383 1.00 24.42 H new ATOM 0 HD13 LEU A 79 3.692 0.820 -3.273 1.00 24.42 H new ATOM 0 HD21 LEU A 79 0.902 -0.054 -2.314 1.00 74.05 H new ATOM 0 HD22 LEU A 79 2.425 -0.622 -1.588 1.00 74.05 H new ATOM 0 HD23 LEU A 79 1.184 0.144 -0.568 1.00 74.05 H new ATOM 1302 N LYS A 80 4.629 3.253 1.647 1.00 71.42 N ATOM 1303 CA LYS A 80 5.785 3.515 2.467 1.00 43.30 C ATOM 1304 C LYS A 80 5.458 3.292 3.940 1.00 13.43 C ATOM 1305 O LYS A 80 6.153 2.546 4.624 1.00 62.41 O ATOM 1306 CB LYS A 80 6.243 4.955 2.212 1.00 32.55 C ATOM 1307 CG LYS A 80 7.691 5.223 2.568 1.00 5.04 C ATOM 1308 CD LYS A 80 7.920 5.249 4.064 1.00 5.45 C ATOM 1309 CE LYS A 80 7.197 6.412 4.724 1.00 10.21 C ATOM 1310 NZ LYS A 80 7.587 6.574 6.150 1.00 44.42 N ATOM 0 H LYS A 80 4.340 4.047 1.076 1.00 71.42 H new ATOM 0 HA LYS A 80 6.591 2.828 2.208 1.00 43.30 H new ATOM 0 HB2 LYS A 80 6.091 5.191 1.159 1.00 32.55 H new ATOM 0 HB3 LYS A 80 5.609 5.632 2.785 1.00 32.55 H new ATOM 0 HG2 LYS A 80 8.321 4.455 2.120 1.00 5.04 H new ATOM 0 HG3 LYS A 80 7.998 6.177 2.139 1.00 5.04 H new ATOM 0 HD2 LYS A 80 7.576 4.312 4.501 1.00 5.45 H new ATOM 0 HD3 LYS A 80 8.988 5.322 4.267 1.00 5.45 H new ATOM 0 HE2 LYS A 80 7.418 7.331 4.181 1.00 10.21 H new ATOM 0 HE3 LYS A 80 6.121 6.254 4.658 1.00 10.21 H new ATOM 0 HZ1 LYS A 80 6.790 6.974 6.685 1.00 44.42 H new ATOM 0 HZ2 LYS A 80 7.841 5.647 6.548 1.00 44.42 H new ATOM 0 HZ3 LYS A 80 8.404 7.215 6.216 1.00 44.42 H new ATOM 1324 N ARG A 81 4.389 3.921 4.415 1.00 2.55 N ATOM 1325 CA ARG A 81 4.024 3.843 5.827 1.00 52.20 C ATOM 1326 C ARG A 81 3.451 2.473 6.185 1.00 40.10 C ATOM 1327 O ARG A 81 3.591 2.015 7.319 1.00 12.42 O ATOM 1328 CB ARG A 81 3.045 4.963 6.198 1.00 70.45 C ATOM 1329 CG ARG A 81 1.749 4.954 5.404 1.00 30.54 C ATOM 1330 CD ARG A 81 1.006 6.272 5.547 1.00 61.43 C ATOM 1331 NE ARG A 81 1.797 7.401 5.053 1.00 60.51 N ATOM 1332 CZ ARG A 81 1.491 8.681 5.260 1.00 20.51 C ATOM 1333 NH1 ARG A 81 0.387 9.012 5.915 1.00 11.31 N ATOM 1334 NH2 ARG A 81 2.290 9.636 4.808 1.00 21.30 N ATOM 0 H ARG A 81 3.761 4.489 3.846 1.00 2.55 H new ATOM 0 HA ARG A 81 4.934 3.978 6.411 1.00 52.20 H new ATOM 0 HB2 ARG A 81 2.807 4.884 7.259 1.00 70.45 H new ATOM 0 HB3 ARG A 81 3.539 5.924 6.053 1.00 70.45 H new ATOM 0 HG2 ARG A 81 1.966 4.768 4.352 1.00 30.54 H new ATOM 0 HG3 ARG A 81 1.115 4.137 5.748 1.00 30.54 H new ATOM 0 HD2 ARG A 81 0.066 6.220 4.998 1.00 61.43 H new ATOM 0 HD3 ARG A 81 0.755 6.435 6.595 1.00 61.43 H new ATOM 0 HE ARG A 81 2.638 7.194 4.515 1.00 60.51 H new ATOM 0 HH11 ARG A 81 -0.236 8.284 6.265 1.00 11.31 H new ATOM 0 HH12 ARG A 81 0.161 9.995 6.069 1.00 11.31 H new ATOM 0 HH21 ARG A 81 3.141 9.392 4.301 1.00 21.30 H new ATOM 0 HH22 ARG A 81 2.055 10.616 4.967 1.00 21.30 H new ATOM 1348 N MET A 82 2.825 1.814 5.214 1.00 62.31 N ATOM 1349 CA MET A 82 2.284 0.476 5.427 1.00 4.43 C ATOM 1350 C MET A 82 3.415 -0.517 5.674 1.00 31.15 C ATOM 1351 O MET A 82 3.409 -1.247 6.664 1.00 11.01 O ATOM 1352 CB MET A 82 1.446 0.033 4.222 1.00 61.42 C ATOM 1353 CG MET A 82 0.774 -1.321 4.401 1.00 21.01 C ATOM 1354 SD MET A 82 -0.194 -1.826 2.961 1.00 22.50 S ATOM 1355 CE MET A 82 1.092 -1.924 1.717 1.00 22.12 C ATOM 0 H MET A 82 2.680 2.184 4.274 1.00 62.31 H new ATOM 0 HA MET A 82 1.639 0.502 6.305 1.00 4.43 H new ATOM 0 HB2 MET A 82 0.681 0.785 4.028 1.00 61.42 H new ATOM 0 HB3 MET A 82 2.086 -0.004 3.341 1.00 61.42 H new ATOM 0 HG2 MET A 82 1.536 -2.074 4.602 1.00 21.01 H new ATOM 0 HG3 MET A 82 0.123 -1.285 5.275 1.00 21.01 H new ATOM 0 HE1 MET A 82 0.714 -2.456 0.844 1.00 22.12 H new ATOM 0 HE2 MET A 82 1.394 -0.918 1.426 1.00 22.12 H new ATOM 0 HE3 MET A 82 1.951 -2.458 2.123 1.00 22.12 H new ATOM 1365 N PHE A 83 4.404 -0.520 4.784 1.00 12.31 N ATOM 1366 CA PHE A 83 5.553 -1.403 4.933 1.00 35.44 C ATOM 1367 C PHE A 83 6.431 -0.952 6.094 1.00 60.10 C ATOM 1368 O PHE A 83 7.098 -1.766 6.728 1.00 73.25 O ATOM 1369 CB PHE A 83 6.376 -1.466 3.643 1.00 54.44 C ATOM 1370 CG PHE A 83 5.679 -2.181 2.516 1.00 13.23 C ATOM 1371 CD1 PHE A 83 5.361 -3.526 2.624 1.00 61.20 C ATOM 1372 CD2 PHE A 83 5.348 -1.510 1.349 1.00 34.44 C ATOM 1373 CE1 PHE A 83 4.725 -4.186 1.589 1.00 70.44 C ATOM 1374 CE2 PHE A 83 4.710 -2.165 0.312 1.00 13.51 C ATOM 1375 CZ PHE A 83 4.398 -3.505 0.432 1.00 10.41 C ATOM 0 H PHE A 83 4.432 0.076 3.957 1.00 12.31 H new ATOM 0 HA PHE A 83 5.176 -2.403 5.145 1.00 35.44 H new ATOM 0 HB2 PHE A 83 6.615 -0.451 3.325 1.00 54.44 H new ATOM 0 HB3 PHE A 83 7.322 -1.967 3.850 1.00 54.44 H new ATOM 0 HD1 PHE A 83 5.613 -4.064 3.526 1.00 61.20 H new ATOM 0 HD2 PHE A 83 5.592 -0.463 1.249 1.00 34.44 H new ATOM 0 HE1 PHE A 83 4.484 -5.234 1.685 1.00 70.44 H new ATOM 0 HE2 PHE A 83 4.456 -1.629 -0.591 1.00 13.51 H new ATOM 0 HZ PHE A 83 3.900 -4.019 -0.376 1.00 10.41 H new ATOM 1385 N ASN A 84 6.407 0.346 6.376 1.00 60.12 N ATOM 1386 CA ASN A 84 7.197 0.926 7.462 1.00 23.13 C ATOM 1387 C ASN A 84 6.810 0.294 8.797 1.00 51.03 C ATOM 1388 O ASN A 84 7.666 0.010 9.630 1.00 73.55 O ATOM 1389 CB ASN A 84 6.972 2.442 7.523 1.00 31.33 C ATOM 1390 CG ASN A 84 8.096 3.206 8.207 1.00 34.34 C ATOM 1391 OD1 ASN A 84 8.401 4.337 7.825 1.00 60.03 O ATOM 1392 ND2 ASN A 84 8.715 2.611 9.215 1.00 41.33 N ATOM 0 H ASN A 84 5.844 1.024 5.863 1.00 60.12 H new ATOM 0 HA ASN A 84 8.251 0.726 7.269 1.00 23.13 H new ATOM 0 HB2 ASN A 84 6.852 2.823 6.509 1.00 31.33 H new ATOM 0 HB3 ASN A 84 6.039 2.640 8.050 1.00 31.33 H new ATOM 0 HD21 ASN A 84 9.472 3.090 9.703 1.00 41.33 H new ATOM 0 HD22 ASN A 84 8.435 1.674 9.504 1.00 41.33 H new ATOM 1399 N TYR A 85 5.515 0.073 8.985 1.00 62.00 N ATOM 1400 CA TYR A 85 4.998 -0.535 10.208 1.00 13.15 C ATOM 1401 C TYR A 85 5.449 -1.996 10.301 1.00 43.52 C ATOM 1402 O TYR A 85 5.698 -2.517 11.389 1.00 61.44 O ATOM 1403 CB TYR A 85 3.468 -0.416 10.226 1.00 21.42 C ATOM 1404 CG TYR A 85 2.812 -0.719 11.557 1.00 1.24 C ATOM 1405 CD1 TYR A 85 3.504 -0.586 12.756 1.00 4.02 C ATOM 1406 CD2 TYR A 85 1.482 -1.116 11.608 1.00 65.40 C ATOM 1407 CE1 TYR A 85 2.890 -0.856 13.966 1.00 12.01 C ATOM 1408 CE2 TYR A 85 0.863 -1.386 12.812 1.00 13.32 C ATOM 1409 CZ TYR A 85 1.569 -1.253 13.987 1.00 10.15 C ATOM 1410 OH TYR A 85 0.956 -1.535 15.186 1.00 54.52 O ATOM 0 H TYR A 85 4.796 0.308 8.300 1.00 62.00 H new ATOM 0 HA TYR A 85 5.394 -0.012 11.078 1.00 13.15 H new ATOM 0 HB2 TYR A 85 3.195 0.596 9.927 1.00 21.42 H new ATOM 0 HB3 TYR A 85 3.058 -1.092 9.475 1.00 21.42 H new ATOM 0 HD1 TYR A 85 4.536 -0.267 12.742 1.00 4.02 H new ATOM 0 HD2 TYR A 85 0.922 -1.215 10.690 1.00 65.40 H new ATOM 0 HE1 TYR A 85 3.442 -0.757 14.889 1.00 12.01 H new ATOM 0 HE2 TYR A 85 -0.170 -1.700 12.832 1.00 13.32 H new ATOM 0 HH TYR A 85 0.313 -2.264 15.061 1.00 54.52 H new ATOM 1420 N ALA A 86 5.564 -2.650 9.149 1.00 64.12 N ATOM 1421 CA ALA A 86 6.054 -4.024 9.090 1.00 15.21 C ATOM 1422 C ALA A 86 7.556 -4.079 9.372 1.00 72.52 C ATOM 1423 O ALA A 86 8.041 -5.006 10.024 1.00 70.34 O ATOM 1424 CB ALA A 86 5.745 -4.644 7.736 1.00 51.41 C ATOM 0 H ALA A 86 5.324 -2.250 8.242 1.00 64.12 H new ATOM 0 HA ALA A 86 5.541 -4.600 9.860 1.00 15.21 H new ATOM 0 HB1 ALA A 86 6.118 -5.668 7.711 1.00 51.41 H new ATOM 0 HB2 ALA A 86 4.667 -4.646 7.574 1.00 51.41 H new ATOM 0 HB3 ALA A 86 6.228 -4.063 6.951 1.00 51.41 H new ATOM 1430 N ILE A 87 8.288 -3.091 8.864 1.00 22.13 N ATOM 1431 CA ILE A 87 9.713 -2.946 9.164 1.00 52.35 C ATOM 1432 C ILE A 87 9.899 -2.679 10.653 1.00 63.44 C ATOM 1433 O ILE A 87 10.770 -3.251 11.307 1.00 64.34 O ATOM 1434 CB ILE A 87 10.346 -1.776 8.371 1.00 64.25 C ATOM 1435 CG1 ILE A 87 10.173 -1.986 6.867 1.00 41.13 C ATOM 1436 CG2 ILE A 87 11.824 -1.626 8.718 1.00 12.12 C ATOM 1437 CD1 ILE A 87 10.612 -0.803 6.033 1.00 44.44 C ATOM 0 H ILE A 87 7.917 -2.375 8.240 1.00 22.13 H new ATOM 0 HA ILE A 87 10.207 -3.873 8.874 1.00 52.35 H new ATOM 0 HB ILE A 87 9.830 -0.858 8.653 1.00 64.25 H new ATOM 0 HG12 ILE A 87 10.743 -2.864 6.564 1.00 41.13 H new ATOM 0 HG13 ILE A 87 9.125 -2.198 6.657 1.00 41.13 H new ATOM 0 HG21 ILE A 87 12.249 -0.799 8.150 1.00 12.12 H new ATOM 0 HG22 ILE A 87 11.929 -1.426 9.784 1.00 12.12 H new ATOM 0 HG23 ILE A 87 12.352 -2.546 8.468 1.00 12.12 H new ATOM 0 HD11 ILE A 87 10.460 -1.026 4.977 1.00 44.44 H new ATOM 0 HD12 ILE A 87 10.025 0.073 6.307 1.00 44.44 H new ATOM 0 HD13 ILE A 87 11.668 -0.603 6.213 1.00 44.44 H new ATOM 1449 N LYS A 88 9.046 -1.807 11.166 1.00 50.23 N ATOM 1450 CA LYS A 88 9.055 -1.411 12.565 1.00 61.45 C ATOM 1451 C LYS A 88 8.852 -2.615 13.487 1.00 60.42 C ATOM 1452 O LYS A 88 9.576 -2.776 14.469 1.00 20.21 O ATOM 1453 CB LYS A 88 7.973 -0.341 12.769 1.00 21.32 C ATOM 1454 CG LYS A 88 7.728 0.085 14.206 1.00 31.52 C ATOM 1455 CD LYS A 88 6.707 -0.812 14.882 1.00 45.45 C ATOM 1456 CE LYS A 88 6.158 -0.176 16.137 1.00 74.41 C ATOM 1457 NZ LYS A 88 7.217 0.065 17.156 1.00 34.42 N ATOM 0 H LYS A 88 8.319 -1.349 10.616 1.00 50.23 H new ATOM 0 HA LYS A 88 10.027 -0.993 12.826 1.00 61.45 H new ATOM 0 HB2 LYS A 88 8.247 0.541 12.190 1.00 21.32 H new ATOM 0 HB3 LYS A 88 7.036 -0.715 12.356 1.00 21.32 H new ATOM 0 HG2 LYS A 88 8.666 0.055 14.761 1.00 31.52 H new ATOM 0 HG3 LYS A 88 7.378 1.117 14.227 1.00 31.52 H new ATOM 0 HD2 LYS A 88 5.890 -1.021 14.191 1.00 45.45 H new ATOM 0 HD3 LYS A 88 7.168 -1.768 15.129 1.00 45.45 H new ATOM 0 HE2 LYS A 88 5.679 0.769 15.883 1.00 74.41 H new ATOM 0 HE3 LYS A 88 5.388 -0.820 16.561 1.00 74.41 H new ATOM 0 HZ1 LYS A 88 6.784 0.439 18.025 1.00 34.42 H new ATOM 0 HZ2 LYS A 88 7.704 -0.829 17.369 1.00 34.42 H new ATOM 0 HZ3 LYS A 88 7.904 0.753 16.787 1.00 34.42 H new ATOM 1471 N ARG A 89 7.878 -3.466 13.167 1.00 60.33 N ATOM 1472 CA ARG A 89 7.630 -4.665 13.966 1.00 62.55 C ATOM 1473 C ARG A 89 8.622 -5.776 13.601 1.00 40.24 C ATOM 1474 O ARG A 89 8.488 -6.918 14.048 1.00 74.43 O ATOM 1475 CB ARG A 89 6.186 -5.156 13.798 1.00 72.04 C ATOM 1476 CG ARG A 89 5.914 -5.862 12.484 1.00 64.11 C ATOM 1477 CD ARG A 89 4.511 -6.444 12.456 1.00 72.42 C ATOM 1478 NE ARG A 89 3.487 -5.418 12.264 1.00 3.34 N ATOM 1479 CZ ARG A 89 2.426 -5.255 13.060 1.00 22.41 C ATOM 1480 NH1 ARG A 89 2.282 -5.976 14.167 1.00 41.53 N ATOM 1481 NH2 ARG A 89 1.509 -4.353 12.756 1.00 14.34 N ATOM 0 H ARG A 89 7.254 -3.350 12.369 1.00 60.33 H new ATOM 0 HA ARG A 89 7.776 -4.402 15.014 1.00 62.55 H new ATOM 0 HB2 ARG A 89 5.948 -5.835 14.617 1.00 72.04 H new ATOM 0 HB3 ARG A 89 5.513 -4.303 13.885 1.00 72.04 H new ATOM 0 HG2 ARG A 89 6.037 -5.161 11.659 1.00 64.11 H new ATOM 0 HG3 ARG A 89 6.644 -6.658 12.337 1.00 64.11 H new ATOM 0 HD2 ARG A 89 4.441 -7.178 11.654 1.00 72.42 H new ATOM 0 HD3 ARG A 89 4.321 -6.973 13.390 1.00 72.42 H new ATOM 0 HE ARG A 89 3.589 -4.785 11.471 1.00 3.34 H new ATOM 0 HH11 ARG A 89 2.988 -6.667 14.421 1.00 41.53 H new ATOM 0 HH12 ARG A 89 1.466 -5.838 14.763 1.00 41.53 H new ATOM 0 HH21 ARG A 89 1.612 -3.784 11.916 1.00 14.34 H new ATOM 0 HH22 ARG A 89 0.698 -4.226 13.361 1.00 14.34 H new ATOM 1495 N HIS A 90 9.603 -5.423 12.769 1.00 74.42 N ATOM 1496 CA HIS A 90 10.732 -6.293 12.442 1.00 2.12 C ATOM 1497 C HIS A 90 10.298 -7.529 11.652 1.00 33.44 C ATOM 1498 O HIS A 90 10.538 -8.662 12.071 1.00 25.30 O ATOM 1499 CB HIS A 90 11.473 -6.708 13.719 1.00 12.13 C ATOM 1500 CG HIS A 90 12.959 -6.833 13.549 1.00 71.31 C ATOM 1501 ND1 HIS A 90 13.854 -6.500 14.541 1.00 3.02 N ATOM 1502 CD2 HIS A 90 13.706 -7.258 12.501 1.00 34.51 C ATOM 1503 CE1 HIS A 90 15.085 -6.712 14.111 1.00 0.14 C ATOM 1504 NE2 HIS A 90 15.022 -7.171 12.878 1.00 74.10 N ATOM 0 H HIS A 90 9.636 -4.518 12.300 1.00 74.42 H new ATOM 0 HA HIS A 90 11.408 -5.722 11.805 1.00 2.12 H new ATOM 0 HB2 HIS A 90 11.267 -5.976 14.500 1.00 12.13 H new ATOM 0 HB3 HIS A 90 11.075 -7.663 14.064 1.00 12.13 H new ATOM 0 HD2 HIS A 90 13.334 -7.601 11.547 1.00 34.51 H new ATOM 0 HE1 HIS A 90 15.990 -6.538 14.675 1.00 0.14 H new ATOM 0 HE2 HIS A 90 15.822 -7.421 12.297 1.00 74.10 H new ATOM 1513 N ILE A 91 9.639 -7.306 10.523 1.00 0.23 N ATOM 1514 CA ILE A 91 9.357 -8.388 9.583 1.00 61.45 C ATOM 1515 C ILE A 91 10.259 -8.247 8.364 1.00 33.23 C ATOM 1516 O ILE A 91 10.930 -9.194 7.952 1.00 5.23 O ATOM 1517 CB ILE A 91 7.877 -8.407 9.132 1.00 54.44 C ATOM 1518 CG1 ILE A 91 6.958 -8.669 10.329 1.00 31.32 C ATOM 1519 CG2 ILE A 91 7.662 -9.464 8.055 1.00 42.22 C ATOM 1520 CD1 ILE A 91 5.488 -8.754 9.967 1.00 34.32 C ATOM 0 H ILE A 91 9.290 -6.392 10.235 1.00 0.23 H new ATOM 0 HA ILE A 91 9.553 -9.329 10.097 1.00 61.45 H new ATOM 0 HB ILE A 91 7.630 -7.432 8.713 1.00 54.44 H new ATOM 0 HG12 ILE A 91 7.259 -9.601 10.808 1.00 31.32 H new ATOM 0 HG13 ILE A 91 7.096 -7.874 11.062 1.00 31.32 H new ATOM 0 HG21 ILE A 91 6.616 -9.464 7.749 1.00 42.22 H new ATOM 0 HG22 ILE A 91 8.292 -9.240 7.194 1.00 42.22 H new ATOM 0 HG23 ILE A 91 7.924 -10.445 8.451 1.00 42.22 H new ATOM 0 HD11 ILE A 91 4.902 -8.941 10.867 1.00 34.32 H new ATOM 0 HD12 ILE A 91 5.170 -7.814 9.515 1.00 34.32 H new ATOM 0 HD13 ILE A 91 5.334 -9.568 9.258 1.00 34.32 H new ATOM 1532 N ILE A 92 10.268 -7.052 7.796 1.00 75.41 N ATOM 1533 CA ILE A 92 11.167 -6.729 6.701 1.00 13.11 C ATOM 1534 C ILE A 92 12.148 -5.654 7.140 1.00 11.23 C ATOM 1535 O ILE A 92 11.899 -4.940 8.110 1.00 71.30 O ATOM 1536 CB ILE A 92 10.411 -6.251 5.445 1.00 13.11 C ATOM 1537 CG1 ILE A 92 9.375 -5.183 5.810 1.00 62.32 C ATOM 1538 CG2 ILE A 92 9.751 -7.431 4.751 1.00 41.43 C ATOM 1539 CD1 ILE A 92 8.651 -4.598 4.616 1.00 61.32 C ATOM 0 H ILE A 92 9.658 -6.285 8.078 1.00 75.41 H new ATOM 0 HA ILE A 92 11.700 -7.643 6.439 1.00 13.11 H new ATOM 0 HB ILE A 92 11.127 -5.802 4.757 1.00 13.11 H new ATOM 0 HG12 ILE A 92 8.642 -5.619 6.489 1.00 62.32 H new ATOM 0 HG13 ILE A 92 9.872 -4.378 6.351 1.00 62.32 H new ATOM 0 HG21 ILE A 92 9.220 -7.082 3.865 1.00 41.43 H new ATOM 0 HG22 ILE A 92 10.513 -8.152 4.456 1.00 41.43 H new ATOM 0 HG23 ILE A 92 9.046 -7.906 5.433 1.00 41.43 H new ATOM 0 HD11 ILE A 92 7.935 -3.850 4.956 1.00 61.32 H new ATOM 0 HD12 ILE A 92 9.373 -4.131 3.946 1.00 61.32 H new ATOM 0 HD13 ILE A 92 8.124 -5.391 4.086 1.00 61.32 H new ATOM 1551 N GLU A 93 13.262 -5.545 6.434 1.00 62.50 N ATOM 1552 CA GLU A 93 14.297 -4.591 6.809 1.00 65.22 C ATOM 1553 C GLU A 93 14.266 -3.351 5.921 1.00 62.03 C ATOM 1554 O GLU A 93 14.985 -2.386 6.174 1.00 3.15 O ATOM 1555 CB GLU A 93 15.674 -5.250 6.728 1.00 62.41 C ATOM 1556 CG GLU A 93 15.844 -6.432 7.667 1.00 1.11 C ATOM 1557 CD GLU A 93 17.216 -7.058 7.555 1.00 3.44 C ATOM 1558 OE1 GLU A 93 18.161 -6.545 8.188 1.00 11.42 O ATOM 1559 OE2 GLU A 93 17.363 -8.060 6.831 1.00 50.15 O ATOM 0 H GLU A 93 13.473 -6.100 5.604 1.00 62.50 H new ATOM 0 HA GLU A 93 14.102 -4.277 7.834 1.00 65.22 H new ATOM 0 HB2 GLU A 93 15.848 -5.583 5.705 1.00 62.41 H new ATOM 0 HB3 GLU A 93 16.437 -4.505 6.955 1.00 62.41 H new ATOM 0 HG2 GLU A 93 15.678 -6.105 8.694 1.00 1.11 H new ATOM 0 HG3 GLU A 93 15.085 -7.182 7.445 1.00 1.11 H new ATOM 1566 N TYR A 94 13.437 -3.380 4.886 1.00 72.13 N ATOM 1567 CA TYR A 94 13.351 -2.270 3.947 1.00 20.04 C ATOM 1568 C TYR A 94 12.073 -2.370 3.127 1.00 30.53 C ATOM 1569 O TYR A 94 11.415 -3.410 3.119 1.00 20.30 O ATOM 1570 CB TYR A 94 14.569 -2.254 3.011 1.00 0.13 C ATOM 1571 CG TYR A 94 14.655 -3.454 2.090 1.00 4.14 C ATOM 1572 CD1 TYR A 94 15.148 -4.671 2.542 1.00 74.33 C ATOM 1573 CD2 TYR A 94 14.243 -3.364 0.768 1.00 4.31 C ATOM 1574 CE1 TYR A 94 15.224 -5.767 1.703 1.00 52.50 C ATOM 1575 CE2 TYR A 94 14.314 -4.455 -0.078 1.00 73.03 C ATOM 1576 CZ TYR A 94 14.806 -5.654 0.395 1.00 74.34 C ATOM 1577 OH TYR A 94 14.878 -6.744 -0.442 1.00 10.13 O ATOM 0 H TYR A 94 12.815 -4.160 4.676 1.00 72.13 H new ATOM 0 HA TYR A 94 13.337 -1.342 4.519 1.00 20.04 H new ATOM 0 HB2 TYR A 94 14.538 -1.347 2.407 1.00 0.13 H new ATOM 0 HB3 TYR A 94 15.476 -2.205 3.613 1.00 0.13 H new ATOM 0 HD1 TYR A 94 15.478 -4.763 3.566 1.00 74.33 H new ATOM 0 HD2 TYR A 94 13.860 -2.426 0.394 1.00 4.31 H new ATOM 0 HE1 TYR A 94 15.609 -6.707 2.071 1.00 52.50 H new ATOM 0 HE2 TYR A 94 13.986 -4.369 -1.103 1.00 73.03 H new ATOM 0 HH TYR A 94 14.543 -6.498 -1.330 1.00 10.13 H new ATOM 1587 N ASN A 95 11.730 -1.288 2.446 1.00 44.33 N ATOM 1588 CA ASN A 95 10.585 -1.279 1.552 1.00 30.32 C ATOM 1589 C ASN A 95 11.052 -1.119 0.108 1.00 30.40 C ATOM 1590 O ASN A 95 12.021 -0.409 -0.163 1.00 34.33 O ATOM 1591 CB ASN A 95 9.603 -0.154 1.926 1.00 20.33 C ATOM 1592 CG ASN A 95 10.201 1.240 1.794 1.00 1.01 C ATOM 1593 OD1 ASN A 95 11.392 1.447 2.015 1.00 21.10 O ATOM 1594 ND2 ASN A 95 9.371 2.209 1.434 1.00 44.43 N ATOM 0 H ASN A 95 12.231 -0.401 2.497 1.00 44.33 H new ATOM 0 HA ASN A 95 10.062 -2.230 1.653 1.00 30.32 H new ATOM 0 HB2 ASN A 95 8.721 -0.225 1.289 1.00 20.33 H new ATOM 0 HB3 ASN A 95 9.267 -0.301 2.952 1.00 20.33 H new ATOM 0 HD21 ASN A 95 9.715 3.164 1.332 1.00 44.43 H new ATOM 0 HD22 ASN A 95 8.388 2.000 1.259 1.00 44.43 H new ATOM 1601 N PRO A 96 10.372 -1.777 -0.841 1.00 21.32 N ATOM 1602 CA PRO A 96 10.743 -1.726 -2.262 1.00 61.03 C ATOM 1603 C PRO A 96 10.559 -0.337 -2.865 1.00 53.21 C ATOM 1604 O PRO A 96 11.119 -0.024 -3.912 1.00 32.11 O ATOM 1605 CB PRO A 96 9.784 -2.719 -2.927 1.00 72.42 C ATOM 1606 CG PRO A 96 9.225 -3.539 -1.816 1.00 52.35 C ATOM 1607 CD PRO A 96 9.208 -2.644 -0.612 1.00 14.23 C ATOM 0 HA PRO A 96 11.796 -1.966 -2.407 1.00 61.03 H new ATOM 0 HB2 PRO A 96 8.993 -2.199 -3.467 1.00 72.42 H new ATOM 0 HB3 PRO A 96 10.307 -3.344 -3.651 1.00 72.42 H new ATOM 0 HG2 PRO A 96 8.221 -3.890 -2.056 1.00 52.35 H new ATOM 0 HG3 PRO A 96 9.837 -4.423 -1.637 1.00 52.35 H new ATOM 0 HD2 PRO A 96 8.283 -2.071 -0.546 1.00 14.23 H new ATOM 0 HD3 PRO A 96 9.300 -3.210 0.315 1.00 14.23 H new ATOM 1615 N ALA A 97 9.779 0.497 -2.187 1.00 2.50 N ATOM 1616 CA ALA A 97 9.496 1.843 -2.662 1.00 22.03 C ATOM 1617 C ALA A 97 10.708 2.755 -2.495 1.00 1.22 C ATOM 1618 O ALA A 97 10.750 3.850 -3.055 1.00 21.43 O ATOM 1619 CB ALA A 97 8.293 2.418 -1.927 1.00 40.13 C ATOM 0 H ALA A 97 9.330 0.261 -1.302 1.00 2.50 H new ATOM 0 HA ALA A 97 9.266 1.785 -3.726 1.00 22.03 H new ATOM 0 HB1 ALA A 97 8.091 3.425 -2.291 1.00 40.13 H new ATOM 0 HB2 ALA A 97 7.422 1.787 -2.105 1.00 40.13 H new ATOM 0 HB3 ALA A 97 8.503 2.454 -0.858 1.00 40.13 H new ATOM 1625 N ALA A 98 11.699 2.293 -1.738 1.00 44.21 N ATOM 1626 CA ALA A 98 12.905 3.076 -1.488 1.00 32.42 C ATOM 1627 C ALA A 98 13.807 3.112 -2.719 1.00 52.34 C ATOM 1628 O ALA A 98 14.818 3.814 -2.740 1.00 23.33 O ATOM 1629 CB ALA A 98 13.663 2.516 -0.294 1.00 44.53 C ATOM 0 H ALA A 98 11.690 1.379 -1.286 1.00 44.21 H new ATOM 0 HA ALA A 98 12.600 4.098 -1.264 1.00 32.42 H new ATOM 0 HB1 ALA A 98 14.560 3.111 -0.121 1.00 44.53 H new ATOM 0 HB2 ALA A 98 13.027 2.552 0.590 1.00 44.53 H new ATOM 0 HB3 ALA A 98 13.946 1.483 -0.495 1.00 44.53 H new ATOM 1635 N ALA A 99 13.437 2.352 -3.743 1.00 62.35 N ATOM 1636 CA ALA A 99 14.190 2.326 -4.991 1.00 50.11 C ATOM 1637 C ALA A 99 13.715 3.429 -5.930 1.00 51.51 C ATOM 1638 O ALA A 99 14.212 3.569 -7.049 1.00 73.41 O ATOM 1639 CB ALA A 99 14.059 0.966 -5.661 1.00 4.33 C ATOM 0 H ALA A 99 12.618 1.744 -3.733 1.00 62.35 H new ATOM 0 HA ALA A 99 15.241 2.501 -4.761 1.00 50.11 H new ATOM 0 HB1 ALA A 99 14.627 0.963 -6.591 1.00 4.33 H new ATOM 0 HB2 ALA A 99 14.447 0.194 -4.996 1.00 4.33 H new ATOM 0 HB3 ALA A 99 13.009 0.766 -5.876 1.00 4.33 H new ATOM 1645 N PHE A 100 12.748 4.207 -5.468 1.00 2.30 N ATOM 1646 CA PHE A 100 12.187 5.282 -6.269 1.00 42.10 C ATOM 1647 C PHE A 100 12.322 6.618 -5.549 1.00 1.34 C ATOM 1648 O PHE A 100 11.796 6.803 -4.449 1.00 30.32 O ATOM 1649 CB PHE A 100 10.718 5.000 -6.585 1.00 22.22 C ATOM 1650 CG PHE A 100 10.504 3.718 -7.338 1.00 2.32 C ATOM 1651 CD1 PHE A 100 10.744 3.651 -8.701 1.00 51.10 C ATOM 1652 CD2 PHE A 100 10.060 2.582 -6.685 1.00 0.23 C ATOM 1653 CE1 PHE A 100 10.551 2.474 -9.397 1.00 0.22 C ATOM 1654 CE2 PHE A 100 9.864 1.400 -7.374 1.00 3.33 C ATOM 1655 CZ PHE A 100 10.107 1.347 -8.733 1.00 55.04 C ATOM 0 H PHE A 100 12.335 4.113 -4.540 1.00 2.30 H new ATOM 0 HA PHE A 100 12.744 5.336 -7.205 1.00 42.10 H new ATOM 0 HB2 PHE A 100 10.154 4.963 -5.653 1.00 22.22 H new ATOM 0 HB3 PHE A 100 10.315 5.827 -7.169 1.00 22.22 H new ATOM 0 HD1 PHE A 100 11.086 4.531 -9.226 1.00 51.10 H new ATOM 0 HD2 PHE A 100 9.864 2.619 -5.624 1.00 0.23 H new ATOM 0 HE1 PHE A 100 10.747 2.435 -10.458 1.00 0.22 H new ATOM 0 HE2 PHE A 100 9.521 0.519 -6.851 1.00 3.33 H new ATOM 0 HZ PHE A 100 9.950 0.426 -9.275 1.00 55.04 H new