USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=15 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 16 TYR OH : rot -130:sc= -1.12 USER MOD Set 1.2: A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 1.01 USER MOD Set 2.2: A 11 GLN : amide:sc= 1.16 X(o=2.2,f=1.7) USER MOD Single : A 7 TYR OH : rot 171:sc= 1.2 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= 0.0315 K(o=0.031,f=-1.9) USER MOD Single : A 29 ASN : amide:sc= -0.508 K(o=-0.51,f=-6.7!) USER MOD Single : A 33 SER OG : rot 80:sc= 0.704 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 168:sc= 0.874 (180deg=0.0359) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -2.93! C(o=-2.9!,f=-3.3!) USER MOD Single : A 61 LYS NZ :NH3+ -114:sc= 0.782 (180deg=-0.0739) USER MOD Single : A 64 MET CE :methyl 156:sc= 0 (180deg=-0.627) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0411 USER MOD Single : A 73 ASN : amide:sc= -0.264 X(o=-0.26,f=-0.22) USER MOD Single : A 75 THR OG1 : rot -153:sc= 1.76 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -141:sc= -1.01 (180deg=-2.31) USER MOD Single : A 84 ASN : amide:sc= -0.212 K(o=-0.21,f=-1) USER MOD Single : A 85 TYR OH : rot -148:sc= 2.06 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.13) USER MOD Single : A 94 TYR OH : rot 30:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.712 K(o=-0.71,f=0) USER MOD ----------------------------------------------------------------- ATOM 91 N TYR A 7 3.080 -12.227 8.747 1.00 31.53 N ATOM 92 CA TYR A 7 2.520 -11.016 8.169 1.00 11.42 C ATOM 93 C TYR A 7 2.367 -11.122 6.659 1.00 30.41 C ATOM 94 O TYR A 7 3.349 -11.133 5.917 1.00 5.31 O ATOM 95 CB TYR A 7 3.387 -9.805 8.504 1.00 12.05 C ATOM 96 CG TYR A 7 3.098 -9.188 9.852 1.00 13.05 C ATOM 97 CD1 TYR A 7 3.582 -9.755 11.023 1.00 52.13 C ATOM 98 CD2 TYR A 7 2.352 -8.020 9.947 1.00 61.42 C ATOM 99 CE1 TYR A 7 3.330 -9.174 12.251 1.00 35.33 C ATOM 100 CE2 TYR A 7 2.102 -7.430 11.170 1.00 21.25 C ATOM 101 CZ TYR A 7 2.593 -8.011 12.317 1.00 51.30 C ATOM 102 OH TYR A 7 2.353 -7.424 13.536 1.00 45.11 O ATOM 0 HA TYR A 7 1.529 -10.889 8.605 1.00 11.42 H new ATOM 0 HB2 TYR A 7 4.435 -10.103 8.471 1.00 12.05 H new ATOM 0 HB3 TYR A 7 3.246 -9.048 7.733 1.00 12.05 H new ATOM 0 HD1 TYR A 7 4.164 -10.663 10.973 1.00 52.13 H new ATOM 0 HD2 TYR A 7 1.961 -7.566 9.049 1.00 61.42 H new ATOM 0 HE1 TYR A 7 3.709 -9.629 13.155 1.00 35.33 H new ATOM 0 HE2 TYR A 7 1.525 -6.519 11.226 1.00 21.25 H new ATOM 0 HH TYR A 7 1.947 -6.542 13.400 1.00 45.11 H new ATOM 112 N THR A 8 1.129 -11.230 6.222 1.00 4.45 N ATOM 113 CA THR A 8 0.797 -11.097 4.819 1.00 24.53 C ATOM 114 C THR A 8 0.711 -9.608 4.489 1.00 3.34 C ATOM 115 O THR A 8 0.438 -8.805 5.382 1.00 34.41 O ATOM 116 CB THR A 8 -0.554 -11.776 4.530 1.00 42.13 C ATOM 117 OG1 THR A 8 -0.743 -12.864 5.445 1.00 34.00 O ATOM 118 CG2 THR A 8 -0.619 -12.297 3.105 1.00 55.33 C ATOM 0 H THR A 8 0.328 -11.412 6.827 1.00 4.45 H new ATOM 0 HA THR A 8 1.561 -11.576 4.206 1.00 24.53 H new ATOM 0 HB THR A 8 -1.343 -11.035 4.656 1.00 42.13 H new ATOM 0 HG1 THR A 8 -1.603 -13.297 5.265 1.00 34.00 H new ATOM 0 HG21 THR A 8 -1.586 -12.770 2.934 1.00 55.33 H new ATOM 0 HG22 THR A 8 -0.493 -11.468 2.408 1.00 55.33 H new ATOM 0 HG23 THR A 8 0.175 -13.027 2.948 1.00 55.33 H new ATOM 126 N VAL A 9 0.943 -9.226 3.237 1.00 41.31 N ATOM 127 CA VAL A 9 0.914 -7.810 2.876 1.00 23.52 C ATOM 128 C VAL A 9 -0.476 -7.222 3.135 1.00 44.24 C ATOM 129 O VAL A 9 -0.612 -6.063 3.529 1.00 52.14 O ATOM 130 CB VAL A 9 1.342 -7.571 1.404 1.00 42.34 C ATOM 131 CG1 VAL A 9 0.358 -8.191 0.426 1.00 14.02 C ATOM 132 CG2 VAL A 9 1.518 -6.084 1.124 1.00 51.43 C ATOM 0 H VAL A 9 1.150 -9.862 2.467 1.00 41.31 H new ATOM 0 HA VAL A 9 1.640 -7.299 3.508 1.00 23.52 H new ATOM 0 HB VAL A 9 2.303 -8.064 1.260 1.00 42.34 H new ATOM 0 HG11 VAL A 9 0.692 -8.003 -0.594 1.00 14.02 H new ATOM 0 HG12 VAL A 9 0.303 -9.266 0.597 1.00 14.02 H new ATOM 0 HG13 VAL A 9 -0.628 -7.750 0.573 1.00 14.02 H new ATOM 0 HG21 VAL A 9 1.818 -5.942 0.086 1.00 51.43 H new ATOM 0 HG22 VAL A 9 0.576 -5.566 1.303 1.00 51.43 H new ATOM 0 HG23 VAL A 9 2.286 -5.678 1.782 1.00 51.43 H new ATOM 142 N ALA A 10 -1.505 -8.046 2.952 1.00 43.10 N ATOM 143 CA ALA A 10 -2.866 -7.645 3.258 1.00 73.11 C ATOM 144 C ALA A 10 -3.027 -7.388 4.751 1.00 32.53 C ATOM 145 O ALA A 10 -3.602 -6.378 5.155 1.00 61.43 O ATOM 146 CB ALA A 10 -3.849 -8.708 2.792 1.00 73.23 C ATOM 0 H ALA A 10 -1.417 -8.996 2.592 1.00 43.10 H new ATOM 0 HA ALA A 10 -3.079 -6.718 2.726 1.00 73.11 H new ATOM 0 HB1 ALA A 10 -4.865 -8.393 3.029 1.00 73.23 H new ATOM 0 HB2 ALA A 10 -3.753 -8.845 1.715 1.00 73.23 H new ATOM 0 HB3 ALA A 10 -3.634 -9.649 3.298 1.00 73.23 H new ATOM 152 N GLN A 11 -2.484 -8.295 5.560 1.00 43.11 N ATOM 153 CA GLN A 11 -2.595 -8.205 7.011 1.00 14.42 C ATOM 154 C GLN A 11 -1.820 -7.014 7.557 1.00 72.12 C ATOM 155 O GLN A 11 -2.284 -6.328 8.467 1.00 32.51 O ATOM 156 CB GLN A 11 -2.110 -9.486 7.666 1.00 74.11 C ATOM 157 CG GLN A 11 -3.050 -10.648 7.434 1.00 65.24 C ATOM 158 CD GLN A 11 -2.779 -11.784 8.381 1.00 51.33 C ATOM 159 OE1 GLN A 11 -3.350 -11.853 9.468 1.00 71.42 O ATOM 160 NE2 GLN A 11 -1.910 -12.682 7.982 1.00 24.44 N ATOM 0 H GLN A 11 -1.960 -9.105 5.231 1.00 43.11 H new ATOM 0 HA GLN A 11 -3.649 -8.062 7.250 1.00 14.42 H new ATOM 0 HB2 GLN A 11 -1.123 -9.738 7.277 1.00 74.11 H new ATOM 0 HB3 GLN A 11 -1.998 -9.322 8.738 1.00 74.11 H new ATOM 0 HG2 GLN A 11 -4.080 -10.312 7.555 1.00 65.24 H new ATOM 0 HG3 GLN A 11 -2.948 -10.999 6.407 1.00 65.24 H new ATOM 0 HE21 GLN A 11 -1.459 -12.586 7.072 1.00 24.44 H new ATOM 0 HE22 GLN A 11 -1.685 -13.476 8.582 1.00 24.44 H new ATOM 169 N LEU A 12 -0.640 -6.774 6.991 1.00 10.14 N ATOM 170 CA LEU A 12 0.198 -5.645 7.390 1.00 53.14 C ATOM 171 C LEU A 12 -0.564 -4.332 7.227 1.00 74.00 C ATOM 172 O LEU A 12 -0.556 -3.479 8.117 1.00 15.22 O ATOM 173 CB LEU A 12 1.481 -5.615 6.549 1.00 71.33 C ATOM 174 CG LEU A 12 2.455 -4.480 6.874 1.00 3.14 C ATOM 175 CD1 LEU A 12 2.996 -4.621 8.289 1.00 63.52 C ATOM 176 CD2 LEU A 12 3.593 -4.457 5.867 1.00 0.22 C ATOM 0 H LEU A 12 -0.240 -7.350 6.250 1.00 10.14 H new ATOM 0 HA LEU A 12 0.465 -5.766 8.440 1.00 53.14 H new ATOM 0 HB2 LEU A 12 2.001 -6.564 6.677 1.00 71.33 H new ATOM 0 HB3 LEU A 12 1.204 -5.543 5.497 1.00 71.33 H new ATOM 0 HG LEU A 12 1.915 -3.535 6.810 1.00 3.14 H new ATOM 0 HD11 LEU A 12 3.686 -3.804 8.498 1.00 63.52 H new ATOM 0 HD12 LEU A 12 2.170 -4.589 8.999 1.00 63.52 H new ATOM 0 HD13 LEU A 12 3.520 -5.572 8.385 1.00 63.52 H new ATOM 0 HD21 LEU A 12 4.278 -3.645 6.110 1.00 0.22 H new ATOM 0 HD22 LEU A 12 4.128 -5.406 5.901 1.00 0.22 H new ATOM 0 HD23 LEU A 12 3.190 -4.304 4.866 1.00 0.22 H new ATOM 188 N ALA A 13 -1.236 -4.194 6.092 1.00 62.34 N ATOM 189 CA ALA A 13 -2.014 -3.000 5.796 1.00 71.41 C ATOM 190 C ALA A 13 -3.149 -2.823 6.798 1.00 24.22 C ATOM 191 O ALA A 13 -3.374 -1.724 7.314 1.00 24.35 O ATOM 192 CB ALA A 13 -2.574 -3.076 4.383 1.00 54.20 C ATOM 0 H ALA A 13 -1.257 -4.900 5.357 1.00 62.34 H new ATOM 0 HA ALA A 13 -1.353 -2.137 5.874 1.00 71.41 H new ATOM 0 HB1 ALA A 13 -3.154 -2.178 4.173 1.00 54.20 H new ATOM 0 HB2 ALA A 13 -1.753 -3.153 3.670 1.00 54.20 H new ATOM 0 HB3 ALA A 13 -3.216 -3.952 4.293 1.00 54.20 H new ATOM 198 N ASP A 14 -3.848 -3.913 7.085 1.00 43.10 N ATOM 199 CA ASP A 14 -5.016 -3.864 7.955 1.00 34.43 C ATOM 200 C ASP A 14 -4.635 -3.653 9.417 1.00 43.52 C ATOM 201 O ASP A 14 -5.423 -3.108 10.191 1.00 52.40 O ATOM 202 CB ASP A 14 -5.872 -5.121 7.796 1.00 42.25 C ATOM 203 CG ASP A 14 -6.799 -5.031 6.599 1.00 32.32 C ATOM 204 OD1 ASP A 14 -6.388 -5.421 5.489 1.00 2.54 O ATOM 205 OD2 ASP A 14 -7.944 -4.567 6.765 1.00 12.03 O ATOM 0 H ASP A 14 -3.627 -4.842 6.728 1.00 43.10 H new ATOM 0 HA ASP A 14 -5.607 -3.002 7.646 1.00 34.43 H new ATOM 0 HB2 ASP A 14 -5.223 -5.990 7.687 1.00 42.25 H new ATOM 0 HB3 ASP A 14 -6.461 -5.275 8.700 1.00 42.25 H new ATOM 210 N GLU A 15 -3.441 -4.077 9.808 1.00 33.41 N ATOM 211 CA GLU A 15 -2.971 -3.800 11.158 1.00 13.21 C ATOM 212 C GLU A 15 -2.496 -2.355 11.255 1.00 63.14 C ATOM 213 O GLU A 15 -2.793 -1.662 12.228 1.00 43.33 O ATOM 214 CB GLU A 15 -1.847 -4.754 11.579 1.00 60.31 C ATOM 215 CG GLU A 15 -1.432 -4.570 13.033 1.00 2.21 C ATOM 216 CD GLU A 15 -0.386 -5.564 13.490 1.00 35.50 C ATOM 217 OE1 GLU A 15 -0.741 -6.729 13.761 1.00 61.21 O ATOM 218 OE2 GLU A 15 0.797 -5.179 13.609 1.00 34.11 O ATOM 0 H GLU A 15 -2.792 -4.603 9.223 1.00 33.41 H new ATOM 0 HA GLU A 15 -3.807 -3.957 11.840 1.00 13.21 H new ATOM 0 HB2 GLU A 15 -2.173 -5.783 11.426 1.00 60.31 H new ATOM 0 HB3 GLU A 15 -0.982 -4.595 10.936 1.00 60.31 H new ATOM 0 HG2 GLU A 15 -1.046 -3.560 13.168 1.00 2.21 H new ATOM 0 HG3 GLU A 15 -2.312 -4.662 13.669 1.00 2.21 H new ATOM 225 N TYR A 16 -1.783 -1.899 10.232 1.00 1.34 N ATOM 226 CA TYR A 16 -1.249 -0.543 10.217 1.00 10.31 C ATOM 227 C TYR A 16 -2.364 0.500 10.264 1.00 54.13 C ATOM 228 O TYR A 16 -2.339 1.404 11.104 1.00 71.35 O ATOM 229 CB TYR A 16 -0.377 -0.309 8.978 1.00 52.22 C ATOM 230 CG TYR A 16 0.123 1.115 8.864 1.00 71.41 C ATOM 231 CD1 TYR A 16 1.152 1.574 9.674 1.00 43.24 C ATOM 232 CD2 TYR A 16 -0.450 2.003 7.965 1.00 21.01 C ATOM 233 CE1 TYR A 16 1.598 2.876 9.590 1.00 71.22 C ATOM 234 CE2 TYR A 16 -0.012 3.310 7.879 1.00 64.23 C ATOM 235 CZ TYR A 16 1.011 3.740 8.692 1.00 73.34 C ATOM 236 OH TYR A 16 1.441 5.044 8.619 1.00 61.42 O ATOM 0 H TYR A 16 -1.561 -2.449 9.402 1.00 1.34 H new ATOM 0 HA TYR A 16 -0.635 -0.432 11.110 1.00 10.31 H new ATOM 0 HB2 TYR A 16 0.477 -0.986 9.009 1.00 52.22 H new ATOM 0 HB3 TYR A 16 -0.950 -0.559 8.085 1.00 52.22 H new ATOM 0 HD1 TYR A 16 1.611 0.900 10.382 1.00 43.24 H new ATOM 0 HD2 TYR A 16 -1.251 1.667 7.323 1.00 21.01 H new ATOM 0 HE1 TYR A 16 2.403 3.216 10.225 1.00 71.22 H new ATOM 0 HE2 TYR A 16 -0.470 3.991 7.177 1.00 64.23 H new ATOM 0 HH TYR A 16 0.669 5.646 8.662 1.00 61.42 H new ATOM 246 N PHE A 17 -3.341 0.379 9.369 1.00 61.53 N ATOM 247 CA PHE A 17 -4.395 1.383 9.279 1.00 61.20 C ATOM 248 C PHE A 17 -5.238 1.384 10.546 1.00 50.30 C ATOM 249 O PHE A 17 -5.663 2.429 11.005 1.00 51.50 O ATOM 250 CB PHE A 17 -5.275 1.175 8.032 1.00 15.43 C ATOM 251 CG PHE A 17 -6.540 0.383 8.261 1.00 54.42 C ATOM 252 CD1 PHE A 17 -6.543 -0.994 8.142 1.00 43.11 C ATOM 253 CD2 PHE A 17 -7.728 1.025 8.587 1.00 14.45 C ATOM 254 CE1 PHE A 17 -7.703 -1.719 8.342 1.00 1.23 C ATOM 255 CE2 PHE A 17 -8.890 0.305 8.787 1.00 24.55 C ATOM 256 CZ PHE A 17 -8.876 -1.070 8.665 1.00 15.21 C ATOM 0 H PHE A 17 -3.424 -0.392 8.706 1.00 61.53 H new ATOM 0 HA PHE A 17 -3.918 2.358 9.179 1.00 61.20 H new ATOM 0 HB2 PHE A 17 -5.545 2.152 7.631 1.00 15.43 H new ATOM 0 HB3 PHE A 17 -4.682 0.670 7.269 1.00 15.43 H new ATOM 0 HD1 PHE A 17 -5.628 -1.510 7.890 1.00 43.11 H new ATOM 0 HD2 PHE A 17 -7.743 2.100 8.685 1.00 14.45 H new ATOM 0 HE1 PHE A 17 -7.690 -2.795 8.245 1.00 1.23 H new ATOM 0 HE2 PHE A 17 -9.807 0.817 9.038 1.00 24.55 H new ATOM 0 HZ PHE A 17 -9.782 -1.636 8.822 1.00 15.21 H new ATOM 266 N GLU A 18 -5.436 0.210 11.131 1.00 20.21 N ATOM 267 CA GLU A 18 -6.257 0.072 12.329 1.00 0.21 C ATOM 268 C GLU A 18 -5.689 0.901 13.476 1.00 34.04 C ATOM 269 O GLU A 18 -6.422 1.348 14.355 1.00 74.40 O ATOM 270 CB GLU A 18 -6.333 -1.402 12.723 1.00 1.21 C ATOM 271 CG GLU A 18 -7.266 -1.689 13.883 1.00 43.45 C ATOM 272 CD GLU A 18 -6.568 -2.395 15.023 1.00 55.24 C ATOM 273 OE1 GLU A 18 -6.078 -3.523 14.813 1.00 62.35 O ATOM 274 OE2 GLU A 18 -6.522 -1.824 16.134 1.00 12.40 O ATOM 0 H GLU A 18 -5.037 -0.666 10.794 1.00 20.21 H new ATOM 0 HA GLU A 18 -7.260 0.442 12.115 1.00 0.21 H new ATOM 0 HB2 GLU A 18 -6.658 -1.981 11.859 1.00 1.21 H new ATOM 0 HB3 GLU A 18 -5.333 -1.749 12.982 1.00 1.21 H new ATOM 0 HG2 GLU A 18 -7.690 -0.752 14.245 1.00 43.45 H new ATOM 0 HG3 GLU A 18 -8.097 -2.302 13.534 1.00 43.45 H new ATOM 281 N ARG A 19 -4.386 1.125 13.444 1.00 44.30 N ATOM 282 CA ARG A 19 -3.721 1.883 14.491 1.00 70.34 C ATOM 283 C ARG A 19 -3.787 3.379 14.203 1.00 60.33 C ATOM 284 O ARG A 19 -4.002 4.191 15.102 1.00 1.20 O ATOM 285 CB ARG A 19 -2.266 1.434 14.618 1.00 43.12 C ATOM 286 CG ARG A 19 -2.117 -0.071 14.762 1.00 32.22 C ATOM 287 CD ARG A 19 -3.000 -0.603 15.874 1.00 40.32 C ATOM 288 NE ARG A 19 -2.968 -2.063 15.953 1.00 41.43 N ATOM 289 CZ ARG A 19 -3.093 -2.753 17.087 1.00 43.10 C ATOM 290 NH1 ARG A 19 -3.223 -2.119 18.246 1.00 53.43 N ATOM 291 NH2 ARG A 19 -3.096 -4.080 17.060 1.00 53.32 N ATOM 0 H ARG A 19 -3.767 0.793 12.704 1.00 44.30 H new ATOM 0 HA ARG A 19 -4.236 1.694 15.433 1.00 70.34 H new ATOM 0 HB2 ARG A 19 -1.712 1.766 13.740 1.00 43.12 H new ATOM 0 HB3 ARG A 19 -1.816 1.922 15.482 1.00 43.12 H new ATOM 0 HG2 ARG A 19 -2.378 -0.557 13.822 1.00 32.22 H new ATOM 0 HG3 ARG A 19 -1.076 -0.318 14.970 1.00 32.22 H new ATOM 0 HD2 ARG A 19 -2.676 -0.182 16.826 1.00 40.32 H new ATOM 0 HD3 ARG A 19 -4.026 -0.272 15.711 1.00 40.32 H new ATOM 0 HE ARG A 19 -2.842 -2.586 15.086 1.00 41.43 H new ATOM 0 HH11 ARG A 19 -3.228 -1.099 18.272 1.00 53.43 H new ATOM 0 HH12 ARG A 19 -3.318 -2.652 19.111 1.00 53.43 H new ATOM 0 HH21 ARG A 19 -3.003 -4.572 16.172 1.00 53.32 H new ATOM 0 HH22 ARG A 19 -3.192 -4.608 17.928 1.00 53.32 H new ATOM 305 N MET A 20 -3.615 3.734 12.940 1.00 75.53 N ATOM 306 CA MET A 20 -3.592 5.141 12.535 1.00 4.03 C ATOM 307 C MET A 20 -5.005 5.691 12.355 1.00 34.54 C ATOM 308 O MET A 20 -5.251 6.880 12.554 1.00 3.01 O ATOM 309 CB MET A 20 -2.797 5.305 11.236 1.00 0.51 C ATOM 310 CG MET A 20 -1.333 4.913 11.365 1.00 21.24 C ATOM 311 SD MET A 20 -0.446 5.932 12.563 1.00 54.53 S ATOM 312 CE MET A 20 1.183 5.183 12.511 1.00 54.21 C ATOM 0 H MET A 20 -3.489 3.072 12.174 1.00 75.53 H new ATOM 0 HA MET A 20 -3.106 5.709 13.328 1.00 4.03 H new ATOM 0 HB2 MET A 20 -3.260 4.698 10.458 1.00 0.51 H new ATOM 0 HB3 MET A 20 -2.859 6.343 10.910 1.00 0.51 H new ATOM 0 HG2 MET A 20 -1.265 3.867 11.663 1.00 21.24 H new ATOM 0 HG3 MET A 20 -0.850 4.999 10.392 1.00 21.24 H new ATOM 0 HE1 MET A 20 1.846 5.705 13.201 1.00 54.21 H new ATOM 0 HE2 MET A 20 1.111 4.135 12.801 1.00 54.21 H new ATOM 0 HE3 MET A 20 1.584 5.253 11.500 1.00 54.21 H new ATOM 322 N ILE A 21 -5.930 4.812 12.005 1.00 71.14 N ATOM 323 CA ILE A 21 -7.337 5.169 11.840 1.00 20.44 C ATOM 324 C ILE A 21 -8.049 5.055 13.193 1.00 72.43 C ATOM 325 O ILE A 21 -9.252 5.277 13.318 1.00 52.40 O ATOM 326 CB ILE A 21 -7.999 4.258 10.761 1.00 3.34 C ATOM 327 CG1 ILE A 21 -7.303 4.455 9.411 1.00 42.51 C ATOM 328 CG2 ILE A 21 -9.494 4.517 10.613 1.00 61.43 C ATOM 329 CD1 ILE A 21 -7.359 5.877 8.894 1.00 43.11 C ATOM 0 H ILE A 21 -5.730 3.828 11.826 1.00 71.14 H new ATOM 0 HA ILE A 21 -7.422 6.199 11.494 1.00 20.44 H new ATOM 0 HB ILE A 21 -7.880 3.227 11.096 1.00 3.34 H new ATOM 0 HG12 ILE A 21 -6.260 4.153 9.504 1.00 42.51 H new ATOM 0 HG13 ILE A 21 -7.762 3.793 8.677 1.00 42.51 H new ATOM 0 HG21 ILE A 21 -9.904 3.856 9.849 1.00 61.43 H new ATOM 0 HG22 ILE A 21 -9.992 4.326 11.563 1.00 61.43 H new ATOM 0 HG23 ILE A 21 -9.656 5.554 10.320 1.00 61.43 H new ATOM 0 HD11 ILE A 21 -6.845 5.936 7.935 1.00 43.11 H new ATOM 0 HD12 ILE A 21 -8.399 6.177 8.767 1.00 43.11 H new ATOM 0 HD13 ILE A 21 -6.873 6.543 9.607 1.00 43.11 H new ATOM 341 N ALA A 22 -7.276 4.730 14.220 1.00 51.43 N ATOM 342 CA ALA A 22 -7.797 4.671 15.574 1.00 42.20 C ATOM 343 C ALA A 22 -7.640 6.025 16.266 1.00 13.13 C ATOM 344 O ALA A 22 -8.054 6.204 17.413 1.00 74.43 O ATOM 345 CB ALA A 22 -7.090 3.587 16.372 1.00 24.12 C ATOM 0 H ALA A 22 -6.285 4.503 14.139 1.00 51.43 H new ATOM 0 HA ALA A 22 -8.858 4.427 15.522 1.00 42.20 H new ATOM 0 HB1 ALA A 22 -7.494 3.558 17.384 1.00 24.12 H new ATOM 0 HB2 ALA A 22 -7.246 2.621 15.891 1.00 24.12 H new ATOM 0 HB3 ALA A 22 -6.023 3.804 16.414 1.00 24.12 H new ATOM 351 N GLY A 23 -7.028 6.973 15.562 1.00 72.44 N ATOM 352 CA GLY A 23 -6.822 8.299 16.113 1.00 71.34 C ATOM 353 C GLY A 23 -7.793 9.310 15.540 1.00 75.54 C ATOM 354 O GLY A 23 -8.912 9.456 16.031 1.00 41.12 O ATOM 0 H GLY A 23 -6.670 6.845 14.616 1.00 72.44 H new ATOM 0 HA2 GLY A 23 -6.934 8.263 17.197 1.00 71.34 H new ATOM 0 HA3 GLY A 23 -5.801 8.621 15.909 1.00 71.34 H new ATOM 358 N ARG A 24 -7.367 10.011 14.500 1.00 33.11 N ATOM 359 CA ARG A 24 -8.209 10.963 13.818 1.00 12.24 C ATOM 360 C ARG A 24 -8.317 10.581 12.348 1.00 61.43 C ATOM 361 O ARG A 24 -7.427 10.862 11.542 1.00 33.42 O ATOM 362 CB ARG A 24 -7.642 12.371 13.969 1.00 72.22 C ATOM 363 CG ARG A 24 -8.339 13.399 13.102 1.00 43.23 C ATOM 364 CD ARG A 24 -7.336 14.189 12.287 1.00 61.43 C ATOM 365 NE ARG A 24 -6.594 15.155 13.100 1.00 22.41 N ATOM 366 CZ ARG A 24 -5.613 15.930 12.630 1.00 64.34 C ATOM 367 NH1 ARG A 24 -5.291 15.893 11.341 1.00 61.44 N ATOM 368 NH2 ARG A 24 -4.973 16.766 13.446 1.00 33.13 N ATOM 0 H ARG A 24 -6.428 9.931 14.111 1.00 33.11 H new ATOM 0 HA ARG A 24 -9.205 10.949 14.261 1.00 12.24 H new ATOM 0 HB2 ARG A 24 -7.719 12.675 15.013 1.00 72.22 H new ATOM 0 HB3 ARG A 24 -6.581 12.356 13.719 1.00 72.22 H new ATOM 0 HG2 ARG A 24 -9.043 12.901 12.436 1.00 43.23 H new ATOM 0 HG3 ARG A 24 -8.918 14.077 13.729 1.00 43.23 H new ATOM 0 HD2 ARG A 24 -6.635 13.502 11.814 1.00 61.43 H new ATOM 0 HD3 ARG A 24 -7.856 14.715 11.487 1.00 61.43 H new ATOM 0 HE ARG A 24 -6.842 15.241 14.086 1.00 22.41 H new ATOM 0 HH11 ARG A 24 -5.794 15.271 10.707 1.00 61.44 H new ATOM 0 HH12 ARG A 24 -4.541 16.486 10.985 1.00 61.44 H new ATOM 0 HH21 ARG A 24 -5.232 16.815 14.431 1.00 33.13 H new ATOM 0 HH22 ARG A 24 -4.224 17.357 13.085 1.00 33.13 H new ATOM 382 N TRP A 25 -9.396 9.908 12.020 1.00 41.42 N ATOM 383 CA TRP A 25 -9.614 9.426 10.668 1.00 21.41 C ATOM 384 C TRP A 25 -10.691 10.247 9.963 1.00 2.32 C ATOM 385 O TRP A 25 -10.542 10.588 8.792 1.00 64.32 O ATOM 386 CB TRP A 25 -9.972 7.935 10.692 1.00 55.04 C ATOM 387 CG TRP A 25 -11.275 7.611 11.367 1.00 42.54 C ATOM 388 CD1 TRP A 25 -12.438 7.256 10.755 1.00 23.34 C ATOM 389 CD2 TRP A 25 -11.551 7.614 12.776 1.00 54.54 C ATOM 390 NE1 TRP A 25 -13.419 7.045 11.689 1.00 53.41 N ATOM 391 CE2 TRP A 25 -12.900 7.256 12.936 1.00 52.11 C ATOM 392 CE3 TRP A 25 -10.789 7.884 13.917 1.00 4.45 C ATOM 393 CZ2 TRP A 25 -13.505 7.162 14.185 1.00 22.42 C ATOM 394 CZ3 TRP A 25 -11.391 7.789 15.157 1.00 42.21 C ATOM 395 CH2 TRP A 25 -12.736 7.430 15.281 1.00 13.23 C ATOM 0 H TRP A 25 -10.144 9.679 12.674 1.00 41.42 H new ATOM 0 HA TRP A 25 -8.691 9.546 10.100 1.00 21.41 H new ATOM 0 HB2 TRP A 25 -10.009 7.568 9.666 1.00 55.04 H new ATOM 0 HB3 TRP A 25 -9.173 7.392 11.196 1.00 55.04 H new ATOM 0 HD1 TRP A 25 -12.569 7.155 9.688 1.00 23.34 H new ATOM 0 HE1 TRP A 25 -14.381 6.774 11.486 1.00 53.41 H new ATOM 0 HE3 TRP A 25 -9.749 8.162 13.831 1.00 4.45 H new ATOM 0 HZ2 TRP A 25 -14.545 6.887 14.284 1.00 22.42 H new ATOM 0 HZ3 TRP A 25 -10.813 7.996 16.045 1.00 42.21 H new ATOM 0 HH2 TRP A 25 -13.177 7.363 16.265 1.00 13.23 H new ATOM 406 N LYS A 26 -11.782 10.544 10.680 1.00 21.11 N ATOM 407 CA LYS A 26 -12.843 11.441 10.190 1.00 74.02 C ATOM 408 C LYS A 26 -13.632 10.864 9.004 1.00 31.15 C ATOM 409 O LYS A 26 -14.650 11.430 8.608 1.00 74.43 O ATOM 410 CB LYS A 26 -12.257 12.807 9.798 1.00 20.04 C ATOM 411 CG LYS A 26 -11.617 13.578 10.951 1.00 61.10 C ATOM 412 CD LYS A 26 -12.635 14.365 11.774 1.00 22.32 C ATOM 413 CE LYS A 26 -13.610 13.459 12.506 1.00 22.14 C ATOM 414 NZ LYS A 26 -14.491 14.217 13.435 1.00 1.41 N ATOM 0 H LYS A 26 -11.956 10.172 11.614 1.00 21.11 H new ATOM 0 HA LYS A 26 -13.544 11.555 11.017 1.00 74.02 H new ATOM 0 HB2 LYS A 26 -11.509 12.657 9.019 1.00 20.04 H new ATOM 0 HB3 LYS A 26 -13.050 13.417 9.366 1.00 20.04 H new ATOM 0 HG2 LYS A 26 -11.092 12.879 11.602 1.00 61.10 H new ATOM 0 HG3 LYS A 26 -10.870 14.265 10.553 1.00 61.10 H new ATOM 0 HD2 LYS A 26 -12.110 14.989 12.497 1.00 22.32 H new ATOM 0 HD3 LYS A 26 -13.189 15.036 11.117 1.00 22.32 H new ATOM 0 HE2 LYS A 26 -14.224 12.926 11.780 1.00 22.14 H new ATOM 0 HE3 LYS A 26 -13.054 12.707 13.067 1.00 22.14 H new ATOM 0 HZ1 LYS A 26 -15.140 13.559 13.913 1.00 1.41 H new ATOM 0 HZ2 LYS A 26 -13.909 14.705 14.145 1.00 1.41 H new ATOM 0 HZ3 LYS A 26 -15.041 14.917 12.898 1.00 1.41 H new ATOM 428 N HIS A 27 -13.173 9.754 8.436 1.00 4.44 N ATOM 429 CA HIS A 27 -13.821 9.154 7.265 1.00 60.43 C ATOM 430 C HIS A 27 -13.458 7.673 7.130 1.00 62.13 C ATOM 431 O HIS A 27 -12.500 7.314 6.443 1.00 50.11 O ATOM 432 CB HIS A 27 -13.476 9.920 5.969 1.00 43.53 C ATOM 433 CG HIS A 27 -12.028 10.298 5.824 1.00 3.13 C ATOM 434 ND1 HIS A 27 -11.041 9.405 5.471 1.00 41.23 N ATOM 435 CD2 HIS A 27 -11.409 11.490 5.991 1.00 5.40 C ATOM 436 CE1 HIS A 27 -9.879 10.032 5.427 1.00 1.23 C ATOM 437 NE2 HIS A 27 -10.073 11.297 5.738 1.00 45.24 N ATOM 0 H HIS A 27 -12.352 9.247 8.766 1.00 4.44 H new ATOM 0 HA HIS A 27 -14.898 9.228 7.419 1.00 60.43 H new ATOM 0 HB2 HIS A 27 -13.764 9.308 5.115 1.00 43.53 H new ATOM 0 HB3 HIS A 27 -14.079 10.827 5.929 1.00 43.53 H new ATOM 0 HD1 HIS A 27 -11.185 8.415 5.274 1.00 41.23 H new ATOM 0 HD2 HIS A 27 -11.879 12.421 6.271 1.00 5.40 H new ATOM 0 HE1 HIS A 27 -8.929 9.583 5.178 1.00 1.23 H new ATOM 446 N PRO A 28 -14.218 6.798 7.804 1.00 11.42 N ATOM 447 CA PRO A 28 -13.925 5.360 7.864 1.00 73.23 C ATOM 448 C PRO A 28 -14.180 4.650 6.538 1.00 40.45 C ATOM 449 O PRO A 28 -13.324 3.923 6.032 1.00 75.11 O ATOM 450 CB PRO A 28 -14.890 4.829 8.940 1.00 24.10 C ATOM 451 CG PRO A 28 -15.519 6.036 9.565 1.00 10.00 C ATOM 452 CD PRO A 28 -15.441 7.133 8.547 1.00 65.44 C ATOM 0 HA PRO A 28 -12.873 5.181 8.088 1.00 73.23 H new ATOM 0 HB2 PRO A 28 -15.646 4.180 8.499 1.00 24.10 H new ATOM 0 HB3 PRO A 28 -14.357 4.238 9.684 1.00 24.10 H new ATOM 0 HG2 PRO A 28 -16.554 5.835 9.840 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -14.995 6.317 10.479 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -16.317 7.147 7.899 1.00 65.44 H new ATOM 0 HD3 PRO A 28 -15.374 8.115 9.015 1.00 65.44 H new ATOM 460 N ASN A 29 -15.358 4.881 5.977 1.00 61.34 N ATOM 461 CA ASN A 29 -15.770 4.239 4.733 1.00 51.45 C ATOM 462 C ASN A 29 -14.790 4.539 3.601 1.00 31.03 C ATOM 463 O ASN A 29 -14.330 3.631 2.912 1.00 73.40 O ATOM 464 CB ASN A 29 -17.191 4.681 4.339 1.00 73.22 C ATOM 465 CG ASN A 29 -17.336 6.190 4.160 1.00 24.53 C ATOM 466 OD1 ASN A 29 -16.660 6.982 4.824 1.00 70.35 O ATOM 467 ND2 ASN A 29 -18.213 6.598 3.257 1.00 4.00 N ATOM 0 H ASN A 29 -16.054 5.516 6.368 1.00 61.34 H new ATOM 0 HA ASN A 29 -15.771 3.162 4.902 1.00 51.45 H new ATOM 0 HB2 ASN A 29 -17.472 4.185 3.410 1.00 73.22 H new ATOM 0 HB3 ASN A 29 -17.892 4.346 5.104 1.00 73.22 H new ATOM 0 HD21 ASN A 29 -18.348 7.595 3.091 1.00 4.00 H new ATOM 0 HD22 ASN A 29 -18.754 5.915 2.727 1.00 4.00 H new ATOM 474 N ILE A 30 -14.448 5.813 3.445 1.00 30.44 N ATOM 475 CA ILE A 30 -13.589 6.261 2.355 1.00 30.21 C ATOM 476 C ILE A 30 -12.219 5.584 2.395 1.00 41.24 C ATOM 477 O ILE A 30 -11.704 5.149 1.363 1.00 73.43 O ATOM 478 CB ILE A 30 -13.408 7.795 2.385 1.00 43.32 C ATOM 479 CG1 ILE A 30 -14.767 8.489 2.259 1.00 43.53 C ATOM 480 CG2 ILE A 30 -12.468 8.252 1.274 1.00 31.22 C ATOM 481 CD1 ILE A 30 -14.687 10.000 2.290 1.00 32.03 C ATOM 0 H ILE A 30 -14.756 6.561 4.067 1.00 30.44 H new ATOM 0 HA ILE A 30 -14.085 5.977 1.427 1.00 30.21 H new ATOM 0 HB ILE A 30 -12.961 8.071 3.340 1.00 43.32 H new ATOM 0 HG12 ILE A 30 -15.238 8.179 1.326 1.00 43.53 H new ATOM 0 HG13 ILE A 30 -15.413 8.152 3.070 1.00 43.53 H new ATOM 0 HG21 ILE A 30 -12.356 9.335 1.315 1.00 31.22 H new ATOM 0 HG22 ILE A 30 -11.494 7.781 1.405 1.00 31.22 H new ATOM 0 HG23 ILE A 30 -12.882 7.966 0.307 1.00 31.22 H new ATOM 0 HD11 ILE A 30 -15.689 10.419 2.196 1.00 32.03 H new ATOM 0 HD12 ILE A 30 -14.246 10.322 3.234 1.00 32.03 H new ATOM 0 HD13 ILE A 30 -14.068 10.349 1.463 1.00 32.03 H new ATOM 493 N VAL A 31 -11.636 5.475 3.584 1.00 22.25 N ATOM 494 CA VAL A 31 -10.297 4.916 3.702 1.00 51.40 C ATOM 495 C VAL A 31 -10.330 3.392 3.577 1.00 54.23 C ATOM 496 O VAL A 31 -9.453 2.802 2.949 1.00 10.34 O ATOM 497 CB VAL A 31 -9.595 5.344 5.018 1.00 64.30 C ATOM 498 CG1 VAL A 31 -10.295 4.776 6.244 1.00 23.32 C ATOM 499 CG2 VAL A 31 -8.126 4.937 5.003 1.00 33.34 C ATOM 0 H VAL A 31 -12.062 5.761 4.465 1.00 22.25 H new ATOM 0 HA VAL A 31 -9.709 5.321 2.878 1.00 51.40 H new ATOM 0 HB VAL A 31 -9.656 6.431 5.080 1.00 64.30 H new ATOM 0 HG11 VAL A 31 -9.772 5.099 7.144 1.00 23.32 H new ATOM 0 HG12 VAL A 31 -11.324 5.134 6.274 1.00 23.32 H new ATOM 0 HG13 VAL A 31 -10.291 3.687 6.193 1.00 23.32 H new ATOM 0 HG21 VAL A 31 -7.653 5.247 5.935 1.00 33.34 H new ATOM 0 HG22 VAL A 31 -8.049 3.855 4.899 1.00 33.34 H new ATOM 0 HG23 VAL A 31 -7.624 5.418 4.164 1.00 33.34 H new ATOM 509 N ARG A 32 -11.365 2.765 4.132 1.00 63.34 N ATOM 510 CA ARG A 32 -11.492 1.311 4.097 1.00 24.32 C ATOM 511 C ARG A 32 -11.623 0.835 2.653 1.00 41.43 C ATOM 512 O ARG A 32 -10.917 -0.082 2.228 1.00 22.32 O ATOM 513 CB ARG A 32 -12.713 0.860 4.907 1.00 1.42 C ATOM 514 CG ARG A 32 -12.518 -0.440 5.687 1.00 34.30 C ATOM 515 CD ARG A 32 -12.130 -1.615 4.798 1.00 13.11 C ATOM 516 NE ARG A 32 -12.186 -2.886 5.525 1.00 31.14 N ATOM 517 CZ ARG A 32 -11.118 -3.569 5.945 1.00 51.04 C ATOM 518 NH1 ARG A 32 -9.892 -3.109 5.716 1.00 73.31 N ATOM 519 NH2 ARG A 32 -11.279 -4.719 6.588 1.00 41.22 N ATOM 0 H ARG A 32 -12.128 3.242 4.612 1.00 63.34 H new ATOM 0 HA ARG A 32 -10.598 0.873 4.540 1.00 24.32 H new ATOM 0 HB2 ARG A 32 -12.980 1.651 5.607 1.00 1.42 H new ATOM 0 HB3 ARG A 32 -13.557 0.737 4.228 1.00 1.42 H new ATOM 0 HG2 ARG A 32 -11.746 -0.292 6.442 1.00 34.30 H new ATOM 0 HG3 ARG A 32 -13.440 -0.681 6.217 1.00 34.30 H new ATOM 0 HD2 ARG A 32 -12.799 -1.658 3.939 1.00 13.11 H new ATOM 0 HD3 ARG A 32 -11.123 -1.461 4.411 1.00 13.11 H new ATOM 0 HE ARG A 32 -13.107 -3.277 5.725 1.00 31.14 H new ATOM 0 HH11 ARG A 32 -9.762 -2.229 5.217 1.00 73.31 H new ATOM 0 HH12 ARG A 32 -9.081 -3.636 6.040 1.00 73.31 H new ATOM 0 HH21 ARG A 32 -12.217 -5.080 6.761 1.00 41.22 H new ATOM 0 HH22 ARG A 32 -10.464 -5.242 6.909 1.00 41.22 H new ATOM 533 N SER A 33 -12.513 1.484 1.908 1.00 5.34 N ATOM 534 CA SER A 33 -12.768 1.132 0.515 1.00 61.11 C ATOM 535 C SER A 33 -11.508 1.268 -0.339 1.00 63.11 C ATOM 536 O SER A 33 -11.348 0.569 -1.337 1.00 63.04 O ATOM 537 CB SER A 33 -13.889 2.006 -0.047 1.00 70.24 C ATOM 538 OG SER A 33 -15.063 1.879 0.737 1.00 23.21 O ATOM 0 H SER A 33 -13.074 2.264 2.250 1.00 5.34 H new ATOM 0 HA SER A 33 -13.076 0.087 0.482 1.00 61.11 H new ATOM 0 HB2 SER A 33 -13.570 3.048 -0.067 1.00 70.24 H new ATOM 0 HB3 SER A 33 -14.100 1.718 -1.077 1.00 70.24 H new ATOM 0 HG SER A 33 -14.985 2.441 1.536 1.00 23.21 H new ATOM 544 N ARG A 34 -10.611 2.163 0.052 1.00 32.23 N ATOM 545 CA ARG A 34 -9.356 2.320 -0.664 1.00 23.31 C ATOM 546 C ARG A 34 -8.419 1.162 -0.357 1.00 4.23 C ATOM 547 O ARG A 34 -7.803 0.602 -1.255 1.00 51.24 O ATOM 548 CB ARG A 34 -8.664 3.631 -0.303 1.00 35.52 C ATOM 549 CG ARG A 34 -7.351 3.813 -1.043 1.00 72.15 C ATOM 550 CD ARG A 34 -6.570 5.005 -0.537 1.00 62.01 C ATOM 551 NE ARG A 34 -5.305 5.148 -1.247 1.00 74.34 N ATOM 552 CZ ARG A 34 -4.517 6.212 -1.156 1.00 5.14 C ATOM 553 NH1 ARG A 34 -4.815 7.198 -0.318 1.00 70.13 N ATOM 554 NH2 ARG A 34 -3.425 6.283 -1.893 1.00 44.31 N ATOM 0 H ARG A 34 -10.728 2.784 0.852 1.00 32.23 H new ATOM 0 HA ARG A 34 -9.592 2.332 -1.728 1.00 23.31 H new ATOM 0 HB2 ARG A 34 -9.327 4.465 -0.534 1.00 35.52 H new ATOM 0 HB3 ARG A 34 -8.480 3.658 0.771 1.00 35.52 H new ATOM 0 HG2 ARG A 34 -6.747 2.912 -0.934 1.00 72.15 H new ATOM 0 HG3 ARG A 34 -7.550 3.937 -2.108 1.00 72.15 H new ATOM 0 HD2 ARG A 34 -7.164 5.911 -0.661 1.00 62.01 H new ATOM 0 HD3 ARG A 34 -6.380 4.892 0.530 1.00 62.01 H new ATOM 0 HE ARG A 34 -5.007 4.382 -1.852 1.00 74.34 H new ATOM 0 HH11 ARG A 34 -5.653 7.140 0.260 1.00 70.13 H new ATOM 0 HH12 ARG A 34 -4.206 8.013 -0.252 1.00 70.13 H new ATOM 0 HH21 ARG A 34 -3.189 5.522 -2.530 1.00 44.31 H new ATOM 0 HH22 ARG A 34 -2.817 7.099 -1.826 1.00 44.31 H new ATOM 568 N ILE A 35 -8.331 0.803 0.915 1.00 51.22 N ATOM 569 CA ILE A 35 -7.418 -0.243 1.362 1.00 42.40 C ATOM 570 C ILE A 35 -7.696 -1.561 0.646 1.00 14.04 C ATOM 571 O ILE A 35 -6.774 -2.273 0.252 1.00 42.34 O ATOM 572 CB ILE A 35 -7.528 -0.446 2.888 1.00 41.12 C ATOM 573 CG1 ILE A 35 -7.247 0.869 3.609 1.00 25.10 C ATOM 574 CG2 ILE A 35 -6.566 -1.523 3.366 1.00 42.11 C ATOM 575 CD1 ILE A 35 -7.585 0.830 5.079 1.00 5.31 C ATOM 0 H ILE A 35 -8.884 1.223 1.662 1.00 51.22 H new ATOM 0 HA ILE A 35 -6.405 0.078 1.117 1.00 42.40 H new ATOM 0 HB ILE A 35 -8.542 -0.772 3.119 1.00 41.12 H new ATOM 0 HG12 ILE A 35 -6.193 1.121 3.493 1.00 25.10 H new ATOM 0 HG13 ILE A 35 -7.819 1.665 3.133 1.00 25.10 H new ATOM 0 HG21 ILE A 35 -6.664 -1.646 4.445 1.00 42.11 H new ATOM 0 HG22 ILE A 35 -6.800 -2.465 2.871 1.00 42.11 H new ATOM 0 HG23 ILE A 35 -5.544 -1.231 3.126 1.00 42.11 H new ATOM 0 HD11 ILE A 35 -7.361 1.797 5.530 1.00 5.31 H new ATOM 0 HD12 ILE A 35 -8.645 0.609 5.203 1.00 5.31 H new ATOM 0 HD13 ILE A 35 -6.994 0.056 5.568 1.00 5.31 H new ATOM 587 N GLU A 36 -8.971 -1.862 0.456 1.00 1.42 N ATOM 588 CA GLU A 36 -9.381 -3.111 -0.173 1.00 30.51 C ATOM 589 C GLU A 36 -9.311 -3.028 -1.702 1.00 5.44 C ATOM 590 O GLU A 36 -9.428 -4.042 -2.388 1.00 34.41 O ATOM 591 CB GLU A 36 -10.802 -3.471 0.277 1.00 21.22 C ATOM 592 CG GLU A 36 -11.799 -2.337 0.091 1.00 54.14 C ATOM 593 CD GLU A 36 -13.142 -2.607 0.741 1.00 42.03 C ATOM 594 OE1 GLU A 36 -13.167 -3.199 1.839 1.00 52.31 O ATOM 595 OE2 GLU A 36 -14.180 -2.204 0.167 1.00 31.43 O ATOM 0 H GLU A 36 -9.745 -1.256 0.729 1.00 1.42 H new ATOM 0 HA GLU A 36 -8.689 -3.892 0.141 1.00 30.51 H new ATOM 0 HB2 GLU A 36 -11.144 -4.341 -0.284 1.00 21.22 H new ATOM 0 HB3 GLU A 36 -10.781 -3.758 1.328 1.00 21.22 H new ATOM 0 HG2 GLU A 36 -11.379 -1.421 0.507 1.00 54.14 H new ATOM 0 HG3 GLU A 36 -11.947 -2.164 -0.975 1.00 54.14 H new ATOM 602 N LYS A 37 -9.127 -1.826 -2.234 1.00 32.33 N ATOM 603 CA LYS A 37 -9.099 -1.627 -3.665 1.00 13.44 C ATOM 604 C LYS A 37 -7.696 -1.297 -4.183 1.00 4.22 C ATOM 605 O LYS A 37 -7.142 -2.016 -5.010 1.00 74.21 O ATOM 606 CB LYS A 37 -10.035 -0.473 -3.991 1.00 3.43 C ATOM 607 CG LYS A 37 -10.146 -0.167 -5.462 1.00 14.02 C ATOM 608 CD LYS A 37 -10.921 -1.241 -6.188 1.00 72.10 C ATOM 609 CE LYS A 37 -10.066 -2.451 -6.538 1.00 15.32 C ATOM 610 NZ LYS A 37 -10.845 -3.475 -7.282 1.00 14.33 N ATOM 0 H LYS A 37 -8.995 -0.975 -1.687 1.00 32.33 H new ATOM 0 HA LYS A 37 -9.410 -2.552 -4.149 1.00 13.44 H new ATOM 0 HB2 LYS A 37 -11.027 -0.703 -3.603 1.00 3.43 H new ATOM 0 HB3 LYS A 37 -9.689 0.420 -3.470 1.00 3.43 H new ATOM 0 HG2 LYS A 37 -10.638 0.796 -5.599 1.00 14.02 H new ATOM 0 HG3 LYS A 37 -9.149 -0.080 -5.894 1.00 14.02 H new ATOM 0 HD2 LYS A 37 -11.758 -1.561 -5.568 1.00 72.10 H new ATOM 0 HD3 LYS A 37 -11.343 -0.823 -7.102 1.00 72.10 H new ATOM 0 HE2 LYS A 37 -9.214 -2.133 -7.139 1.00 15.32 H new ATOM 0 HE3 LYS A 37 -9.665 -2.891 -5.625 1.00 15.32 H new ATOM 0 HZ1 LYS A 37 -10.231 -4.285 -7.504 1.00 14.33 H new ATOM 0 HZ2 LYS A 37 -11.644 -3.796 -6.698 1.00 14.33 H new ATOM 0 HZ3 LYS A 37 -11.206 -3.062 -8.166 1.00 14.33 H new ATOM 624 N ASP A 38 -7.147 -0.207 -3.678 1.00 54.43 N ATOM 625 CA ASP A 38 -5.873 0.335 -4.151 1.00 4.40 C ATOM 626 C ASP A 38 -4.685 -0.330 -3.460 1.00 32.32 C ATOM 627 O ASP A 38 -3.699 -0.678 -4.105 1.00 31.41 O ATOM 628 CB ASP A 38 -5.877 1.863 -3.943 1.00 70.03 C ATOM 629 CG ASP A 38 -4.509 2.480 -3.688 1.00 31.12 C ATOM 630 OD1 ASP A 38 -3.678 2.518 -4.615 1.00 62.11 O ATOM 631 OD2 ASP A 38 -4.294 2.978 -2.560 1.00 64.40 O ATOM 0 H ASP A 38 -7.570 0.335 -2.924 1.00 54.43 H new ATOM 0 HA ASP A 38 -5.762 0.119 -5.214 1.00 4.40 H new ATOM 0 HB2 ASP A 38 -6.313 2.334 -4.824 1.00 70.03 H new ATOM 0 HB3 ASP A 38 -6.528 2.098 -3.101 1.00 70.03 H new ATOM 636 N ILE A 39 -4.794 -0.546 -2.157 1.00 42.43 N ATOM 637 CA ILE A 39 -3.699 -1.147 -1.401 1.00 53.45 C ATOM 638 C ILE A 39 -3.627 -2.658 -1.639 1.00 73.41 C ATOM 639 O ILE A 39 -2.542 -3.229 -1.760 1.00 2.44 O ATOM 640 CB ILE A 39 -3.819 -0.849 0.108 1.00 10.00 C ATOM 641 CG1 ILE A 39 -3.863 0.666 0.333 1.00 33.42 C ATOM 642 CG2 ILE A 39 -2.655 -1.467 0.871 1.00 61.45 C ATOM 643 CD1 ILE A 39 -3.961 1.073 1.787 1.00 53.22 C ATOM 0 H ILE A 39 -5.620 -0.318 -1.604 1.00 42.43 H new ATOM 0 HA ILE A 39 -2.775 -0.695 -1.762 1.00 53.45 H new ATOM 0 HB ILE A 39 -4.742 -1.291 0.483 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -2.967 1.113 -0.098 1.00 33.42 H new ATOM 0 HG13 ILE A 39 -4.716 1.078 -0.207 1.00 33.42 H new ATOM 0 HG21 ILE A 39 -2.758 -1.246 1.933 1.00 61.45 H new ATOM 0 HG22 ILE A 39 -2.656 -2.547 0.724 1.00 61.45 H new ATOM 0 HG23 ILE A 39 -1.717 -1.051 0.503 1.00 61.45 H new ATOM 0 HD11 ILE A 39 -3.987 2.160 1.860 1.00 53.22 H new ATOM 0 HD12 ILE A 39 -4.871 0.658 2.220 1.00 53.22 H new ATOM 0 HD13 ILE A 39 -3.095 0.694 2.330 1.00 53.22 H new ATOM 655 N LYS A 40 -4.784 -3.310 -1.711 1.00 11.40 N ATOM 656 CA LYS A 40 -4.835 -4.733 -2.049 1.00 23.31 C ATOM 657 C LYS A 40 -5.654 -4.961 -3.320 1.00 55.41 C ATOM 658 O LYS A 40 -6.817 -5.356 -3.251 1.00 4.35 O ATOM 659 CB LYS A 40 -5.416 -5.579 -0.902 1.00 33.42 C ATOM 660 CG LYS A 40 -4.449 -5.826 0.249 1.00 60.30 C ATOM 661 CD LYS A 40 -4.344 -4.628 1.176 1.00 2.53 C ATOM 662 CE LYS A 40 -5.557 -4.505 2.084 1.00 41.50 C ATOM 663 NZ LYS A 40 -5.667 -5.649 3.027 1.00 60.52 N ATOM 0 H LYS A 40 -5.694 -2.881 -1.542 1.00 11.40 H new ATOM 0 HA LYS A 40 -3.807 -5.053 -2.219 1.00 23.31 H new ATOM 0 HB2 LYS A 40 -6.305 -5.081 -0.514 1.00 33.42 H new ATOM 0 HB3 LYS A 40 -5.738 -6.540 -1.303 1.00 33.42 H new ATOM 0 HG2 LYS A 40 -4.778 -6.696 0.818 1.00 60.30 H new ATOM 0 HG3 LYS A 40 -3.463 -6.061 -0.151 1.00 60.30 H new ATOM 0 HD2 LYS A 40 -3.443 -4.717 1.784 1.00 2.53 H new ATOM 0 HD3 LYS A 40 -4.240 -3.719 0.584 1.00 2.53 H new ATOM 0 HE2 LYS A 40 -5.494 -3.575 2.649 1.00 41.50 H new ATOM 0 HE3 LYS A 40 -6.460 -4.448 1.476 1.00 41.50 H new ATOM 0 HZ1 LYS A 40 -6.377 -5.432 3.755 1.00 60.52 H new ATOM 0 HZ2 LYS A 40 -5.955 -6.502 2.506 1.00 60.52 H new ATOM 0 HZ3 LYS A 40 -4.746 -5.815 3.481 1.00 60.52 H new ATOM 677 N PRO A 41 -5.057 -4.708 -4.498 1.00 44.15 N ATOM 678 CA PRO A 41 -5.744 -4.870 -5.782 1.00 64.23 C ATOM 679 C PRO A 41 -6.010 -6.335 -6.109 1.00 51.30 C ATOM 680 O PRO A 41 -7.151 -6.727 -6.349 1.00 51.01 O ATOM 681 CB PRO A 41 -4.769 -4.267 -6.806 1.00 64.42 C ATOM 682 CG PRO A 41 -3.741 -3.540 -6.005 1.00 33.31 C ATOM 683 CD PRO A 41 -3.682 -4.230 -4.676 1.00 51.42 C ATOM 0 HA PRO A 41 -6.722 -4.388 -5.777 1.00 64.23 H new ATOM 0 HB2 PRO A 41 -4.311 -5.045 -7.416 1.00 64.42 H new ATOM 0 HB3 PRO A 41 -5.285 -3.590 -7.487 1.00 64.42 H new ATOM 0 HG2 PRO A 41 -2.771 -3.567 -6.501 1.00 33.31 H new ATOM 0 HG3 PRO A 41 -4.010 -2.490 -5.887 1.00 33.31 H new ATOM 0 HD2 PRO A 41 -2.965 -5.051 -4.678 1.00 51.42 H new ATOM 0 HD3 PRO A 41 -3.384 -3.549 -3.879 1.00 51.42 H new ATOM 691 N ALA A 42 -4.947 -7.138 -6.113 1.00 42.12 N ATOM 692 CA ALA A 42 -5.064 -8.565 -6.396 1.00 21.21 C ATOM 693 C ALA A 42 -3.808 -9.313 -5.965 1.00 52.14 C ATOM 694 O ALA A 42 -3.546 -10.425 -6.418 1.00 62.32 O ATOM 695 CB ALA A 42 -5.325 -8.787 -7.879 1.00 0.23 C ATOM 0 H ALA A 42 -3.996 -6.823 -5.923 1.00 42.12 H new ATOM 0 HA ALA A 42 -5.905 -8.957 -5.825 1.00 21.21 H new ATOM 0 HB1 ALA A 42 -5.410 -9.855 -8.077 1.00 0.23 H new ATOM 0 HB2 ALA A 42 -6.252 -8.290 -8.164 1.00 0.23 H new ATOM 0 HB3 ALA A 42 -4.499 -8.375 -8.459 1.00 0.23 H new ATOM 701 N ILE A 43 -3.046 -8.707 -5.068 1.00 23.51 N ATOM 702 CA ILE A 43 -1.778 -9.273 -4.627 1.00 74.42 C ATOM 703 C ILE A 43 -1.663 -9.241 -3.108 1.00 20.23 C ATOM 704 O ILE A 43 -0.568 -9.311 -2.555 1.00 4.32 O ATOM 705 CB ILE A 43 -0.576 -8.519 -5.240 1.00 74.04 C ATOM 706 CG1 ILE A 43 -0.798 -7.006 -5.152 1.00 42.22 C ATOM 707 CG2 ILE A 43 -0.354 -8.947 -6.684 1.00 61.15 C ATOM 708 CD1 ILE A 43 0.416 -6.183 -5.521 1.00 1.23 C ATOM 0 H ILE A 43 -3.284 -7.818 -4.628 1.00 23.51 H new ATOM 0 HA ILE A 43 -1.758 -10.307 -4.970 1.00 74.42 H new ATOM 0 HB ILE A 43 0.319 -8.771 -4.671 1.00 74.04 H new ATOM 0 HG12 ILE A 43 -1.623 -6.732 -5.809 1.00 42.22 H new ATOM 0 HG13 ILE A 43 -1.101 -6.752 -4.136 1.00 42.22 H new ATOM 0 HG21 ILE A 43 0.496 -8.405 -7.098 1.00 61.15 H new ATOM 0 HG22 ILE A 43 -0.154 -10.018 -6.719 1.00 61.15 H new ATOM 0 HG23 ILE A 43 -1.246 -8.725 -7.270 1.00 61.15 H new ATOM 0 HD11 ILE A 43 0.177 -5.123 -5.433 1.00 1.23 H new ATOM 0 HD12 ILE A 43 1.239 -6.426 -4.849 1.00 1.23 H new ATOM 0 HD13 ILE A 43 0.708 -6.405 -6.547 1.00 1.23 H new ATOM 720 N GLY A 44 -2.805 -9.164 -2.435 1.00 75.24 N ATOM 721 CA GLY A 44 -2.807 -9.086 -0.987 1.00 20.01 C ATOM 722 C GLY A 44 -2.459 -10.410 -0.331 1.00 10.22 C ATOM 723 O GLY A 44 -2.141 -10.456 0.856 1.00 54.44 O ATOM 0 H GLY A 44 -3.729 -9.154 -2.866 1.00 75.24 H new ATOM 0 HA2 GLY A 44 -2.093 -8.327 -0.667 1.00 20.01 H new ATOM 0 HA3 GLY A 44 -3.790 -8.763 -0.646 1.00 20.01 H new ATOM 727 N SER A 45 -2.501 -11.480 -1.110 1.00 41.02 N ATOM 728 CA SER A 45 -2.226 -12.818 -0.602 1.00 43.41 C ATOM 729 C SER A 45 -0.720 -13.098 -0.562 1.00 3.24 C ATOM 730 O SER A 45 -0.287 -14.194 -0.204 1.00 31.55 O ATOM 731 CB SER A 45 -2.931 -13.839 -1.489 1.00 14.30 C ATOM 732 OG SER A 45 -4.252 -13.410 -1.784 1.00 64.11 O ATOM 0 H SER A 45 -2.725 -11.448 -2.105 1.00 41.02 H new ATOM 0 HA SER A 45 -2.601 -12.892 0.419 1.00 43.41 H new ATOM 0 HB2 SER A 45 -2.371 -13.975 -2.414 1.00 14.30 H new ATOM 0 HB3 SER A 45 -2.959 -14.807 -0.989 1.00 14.30 H new ATOM 0 HG SER A 45 -4.692 -14.074 -2.355 1.00 64.11 H new ATOM 738 N LEU A 46 0.070 -12.097 -0.922 1.00 20.21 N ATOM 739 CA LEU A 46 1.520 -12.226 -0.925 1.00 31.35 C ATOM 740 C LEU A 46 2.091 -11.837 0.431 1.00 51.42 C ATOM 741 O LEU A 46 1.516 -11.014 1.148 1.00 51.10 O ATOM 742 CB LEU A 46 2.145 -11.347 -2.015 1.00 13.12 C ATOM 743 CG LEU A 46 2.121 -11.920 -3.437 1.00 53.32 C ATOM 744 CD1 LEU A 46 0.698 -12.112 -3.941 1.00 0.12 C ATOM 745 CD2 LEU A 46 2.892 -11.011 -4.375 1.00 51.42 C ATOM 0 H LEU A 46 -0.271 -11.182 -1.217 1.00 20.21 H new ATOM 0 HA LEU A 46 1.762 -13.268 -1.132 1.00 31.35 H new ATOM 0 HB2 LEU A 46 1.627 -10.388 -2.022 1.00 13.12 H new ATOM 0 HB3 LEU A 46 3.181 -11.147 -1.743 1.00 13.12 H new ATOM 0 HG LEU A 46 2.597 -12.900 -3.411 1.00 53.32 H new ATOM 0 HD11 LEU A 46 0.722 -12.520 -4.952 1.00 0.12 H new ATOM 0 HD12 LEU A 46 0.169 -12.802 -3.284 1.00 0.12 H new ATOM 0 HD13 LEU A 46 0.182 -11.152 -3.949 1.00 0.12 H new ATOM 0 HD21 LEU A 46 2.870 -11.425 -5.383 1.00 51.42 H new ATOM 0 HD22 LEU A 46 2.435 -10.021 -4.379 1.00 51.42 H new ATOM 0 HD23 LEU A 46 3.925 -10.932 -4.038 1.00 51.42 H new ATOM 757 N LYS A 47 3.211 -12.441 0.790 1.00 41.54 N ATOM 758 CA LYS A 47 3.894 -12.096 2.026 1.00 23.15 C ATOM 759 C LYS A 47 4.627 -10.773 1.854 1.00 23.41 C ATOM 760 O LYS A 47 4.804 -10.296 0.734 1.00 62.14 O ATOM 761 CB LYS A 47 4.890 -13.188 2.413 1.00 74.40 C ATOM 762 CG LYS A 47 4.883 -13.526 3.895 1.00 15.51 C ATOM 763 CD LYS A 47 3.612 -14.266 4.285 1.00 51.10 C ATOM 764 CE LYS A 47 3.486 -15.579 3.527 1.00 61.41 C ATOM 765 NZ LYS A 47 2.302 -16.368 3.960 1.00 53.14 N ATOM 0 H LYS A 47 3.667 -13.172 0.244 1.00 41.54 H new ATOM 0 HA LYS A 47 3.152 -12.003 2.819 1.00 23.15 H new ATOM 0 HB2 LYS A 47 4.666 -14.090 1.843 1.00 74.40 H new ATOM 0 HB3 LYS A 47 5.893 -12.871 2.127 1.00 74.40 H new ATOM 0 HG2 LYS A 47 5.752 -14.139 4.135 1.00 15.51 H new ATOM 0 HG3 LYS A 47 4.968 -12.610 4.480 1.00 15.51 H new ATOM 0 HD2 LYS A 47 3.616 -14.461 5.357 1.00 51.10 H new ATOM 0 HD3 LYS A 47 2.745 -13.639 4.078 1.00 51.10 H new ATOM 0 HE2 LYS A 47 3.413 -15.374 2.459 1.00 61.41 H new ATOM 0 HE3 LYS A 47 4.389 -16.171 3.677 1.00 61.41 H new ATOM 0 HZ1 LYS A 47 2.257 -17.254 3.416 1.00 53.14 H new ATOM 0 HZ2 LYS A 47 2.383 -16.587 4.973 1.00 53.14 H new ATOM 0 HZ3 LYS A 47 1.437 -15.815 3.793 1.00 53.14 H new ATOM 779 N VAL A 48 5.076 -10.197 2.960 1.00 44.13 N ATOM 780 CA VAL A 48 5.785 -8.918 2.924 1.00 41.42 C ATOM 781 C VAL A 48 7.113 -9.056 2.170 1.00 53.04 C ATOM 782 O VAL A 48 7.642 -8.087 1.632 1.00 74.45 O ATOM 783 CB VAL A 48 6.042 -8.371 4.349 1.00 2.32 C ATOM 784 CG1 VAL A 48 6.585 -6.952 4.296 1.00 20.20 C ATOM 785 CG2 VAL A 48 4.771 -8.419 5.182 1.00 41.21 C ATOM 0 H VAL A 48 4.964 -10.591 3.894 1.00 44.13 H new ATOM 0 HA VAL A 48 5.148 -8.208 2.397 1.00 41.42 H new ATOM 0 HB VAL A 48 6.790 -9.007 4.822 1.00 2.32 H new ATOM 0 HG11 VAL A 48 6.757 -6.590 5.310 1.00 20.20 H new ATOM 0 HG12 VAL A 48 7.524 -6.942 3.743 1.00 20.20 H new ATOM 0 HG13 VAL A 48 5.863 -6.305 3.798 1.00 20.20 H new ATOM 0 HG21 VAL A 48 4.975 -8.030 6.180 1.00 41.21 H new ATOM 0 HG22 VAL A 48 4.001 -7.812 4.706 1.00 41.21 H new ATOM 0 HG23 VAL A 48 4.425 -9.450 5.258 1.00 41.21 H new ATOM 795 N GLU A 49 7.638 -10.273 2.127 1.00 63.23 N ATOM 796 CA GLU A 49 8.868 -10.560 1.396 1.00 51.43 C ATOM 797 C GLU A 49 8.595 -10.653 -0.103 1.00 12.22 C ATOM 798 O GLU A 49 9.452 -10.332 -0.931 1.00 55.01 O ATOM 799 CB GLU A 49 9.451 -11.888 1.867 1.00 42.14 C ATOM 800 CG GLU A 49 9.576 -12.010 3.373 1.00 74.11 C ATOM 801 CD GLU A 49 9.754 -13.449 3.801 1.00 20.22 C ATOM 802 OE1 GLU A 49 8.753 -14.191 3.795 1.00 15.44 O ATOM 803 OE2 GLU A 49 10.895 -13.854 4.111 1.00 63.15 O ATOM 0 H GLU A 49 7.229 -11.083 2.593 1.00 63.23 H new ATOM 0 HA GLU A 49 9.572 -9.750 1.586 1.00 51.43 H new ATOM 0 HB2 GLU A 49 8.823 -12.699 1.498 1.00 42.14 H new ATOM 0 HB3 GLU A 49 10.436 -12.019 1.420 1.00 42.14 H new ATOM 0 HG2 GLU A 49 10.425 -11.420 3.717 1.00 74.11 H new ATOM 0 HG3 GLU A 49 8.686 -11.596 3.847 1.00 74.11 H new ATOM 810 N ASP A 50 7.389 -11.090 -0.439 1.00 74.44 N ATOM 811 CA ASP A 50 7.032 -11.375 -1.822 1.00 34.02 C ATOM 812 C ASP A 50 6.533 -10.129 -2.535 1.00 63.43 C ATOM 813 O ASP A 50 6.540 -10.067 -3.765 1.00 4.50 O ATOM 814 CB ASP A 50 5.973 -12.474 -1.891 1.00 44.34 C ATOM 815 CG ASP A 50 6.503 -13.825 -1.458 1.00 43.23 C ATOM 816 OD1 ASP A 50 7.163 -14.500 -2.273 1.00 5.52 O ATOM 817 OD2 ASP A 50 6.252 -14.228 -0.300 1.00 33.32 O ATOM 0 H ASP A 50 6.638 -11.256 0.231 1.00 74.44 H new ATOM 0 HA ASP A 50 7.934 -11.719 -2.328 1.00 34.02 H new ATOM 0 HB2 ASP A 50 5.129 -12.200 -1.258 1.00 44.34 H new ATOM 0 HB3 ASP A 50 5.596 -12.546 -2.911 1.00 44.34 H new ATOM 822 N VAL A 51 6.088 -9.137 -1.771 1.00 21.14 N ATOM 823 CA VAL A 51 5.666 -7.876 -2.359 1.00 2.14 C ATOM 824 C VAL A 51 6.893 -7.033 -2.727 1.00 64.44 C ATOM 825 O VAL A 51 7.301 -6.108 -2.025 1.00 41.43 O ATOM 826 CB VAL A 51 4.674 -7.098 -1.450 1.00 71.15 C ATOM 827 CG1 VAL A 51 5.252 -6.850 -0.065 1.00 12.11 C ATOM 828 CG2 VAL A 51 4.248 -5.791 -2.107 1.00 24.43 C ATOM 0 H VAL A 51 6.011 -9.182 -0.755 1.00 21.14 H new ATOM 0 HA VAL A 51 5.115 -8.099 -3.273 1.00 2.14 H new ATOM 0 HB VAL A 51 3.789 -7.721 -1.324 1.00 71.15 H new ATOM 0 HG11 VAL A 51 4.528 -6.304 0.539 1.00 12.11 H new ATOM 0 HG12 VAL A 51 5.476 -7.804 0.412 1.00 12.11 H new ATOM 0 HG13 VAL A 51 6.167 -6.264 -0.152 1.00 12.11 H new ATOM 0 HG21 VAL A 51 3.554 -5.264 -1.452 1.00 24.43 H new ATOM 0 HG22 VAL A 51 5.126 -5.169 -2.282 1.00 24.43 H new ATOM 0 HG23 VAL A 51 3.759 -6.004 -3.058 1.00 24.43 H new ATOM 838 N LYS A 52 7.501 -7.426 -3.835 1.00 23.54 N ATOM 839 CA LYS A 52 8.698 -6.790 -4.364 1.00 13.21 C ATOM 840 C LYS A 52 8.410 -5.350 -4.783 1.00 30.13 C ATOM 841 O LYS A 52 7.257 -5.000 -5.044 1.00 53.04 O ATOM 842 CB LYS A 52 9.177 -7.589 -5.581 1.00 62.14 C ATOM 843 CG LYS A 52 9.138 -9.095 -5.366 1.00 31.43 C ATOM 844 CD LYS A 52 9.439 -9.875 -6.634 1.00 74.44 C ATOM 845 CE LYS A 52 9.465 -11.372 -6.359 1.00 63.14 C ATOM 846 NZ LYS A 52 9.658 -12.163 -7.598 1.00 64.43 N ATOM 0 H LYS A 52 7.172 -8.208 -4.401 1.00 23.54 H new ATOM 0 HA LYS A 52 9.465 -6.773 -3.590 1.00 13.21 H new ATOM 0 HB2 LYS A 52 8.556 -7.336 -6.440 1.00 62.14 H new ATOM 0 HB3 LYS A 52 10.196 -7.290 -5.825 1.00 62.14 H new ATOM 0 HG2 LYS A 52 9.861 -9.367 -4.597 1.00 31.43 H new ATOM 0 HG3 LYS A 52 8.154 -9.380 -4.994 1.00 31.43 H new ATOM 0 HD2 LYS A 52 8.685 -9.653 -7.389 1.00 74.44 H new ATOM 0 HD3 LYS A 52 10.400 -9.559 -7.040 1.00 74.44 H new ATOM 0 HE2 LYS A 52 10.268 -11.597 -5.657 1.00 63.14 H new ATOM 0 HE3 LYS A 52 8.531 -11.669 -5.882 1.00 63.14 H new ATOM 0 HZ1 LYS A 52 9.669 -13.176 -7.365 1.00 64.43 H new ATOM 0 HZ2 LYS A 52 8.879 -11.969 -8.259 1.00 64.43 H new ATOM 0 HZ3 LYS A 52 10.561 -11.900 -8.041 1.00 64.43 H new ATOM 860 N PRO A 53 9.451 -4.502 -4.873 1.00 13.01 N ATOM 861 CA PRO A 53 9.316 -3.131 -5.391 1.00 13.44 C ATOM 862 C PRO A 53 8.701 -3.126 -6.789 1.00 23.22 C ATOM 863 O PRO A 53 8.042 -2.168 -7.192 1.00 55.04 O ATOM 864 CB PRO A 53 10.757 -2.618 -5.434 1.00 34.24 C ATOM 865 CG PRO A 53 11.484 -3.443 -4.431 1.00 32.02 C ATOM 866 CD PRO A 53 10.837 -4.798 -4.463 1.00 42.14 C ATOM 0 HA PRO A 53 8.660 -2.515 -4.776 1.00 13.44 H new ATOM 0 HB2 PRO A 53 11.188 -2.733 -6.428 1.00 34.24 H new ATOM 0 HB3 PRO A 53 10.807 -1.558 -5.185 1.00 34.24 H new ATOM 0 HG2 PRO A 53 12.544 -3.511 -4.676 1.00 32.02 H new ATOM 0 HG3 PRO A 53 11.414 -3.001 -3.437 1.00 32.02 H new ATOM 0 HD2 PRO A 53 11.332 -5.464 -5.170 1.00 42.14 H new ATOM 0 HD3 PRO A 53 10.873 -5.284 -3.488 1.00 42.14 H new ATOM 874 N ARG A 54 8.925 -4.216 -7.511 1.00 73.43 N ATOM 875 CA ARG A 54 8.306 -4.437 -8.808 1.00 53.32 C ATOM 876 C ARG A 54 6.786 -4.349 -8.698 1.00 73.40 C ATOM 877 O ARG A 54 6.127 -3.797 -9.569 1.00 52.43 O ATOM 878 CB ARG A 54 8.709 -5.812 -9.342 1.00 52.11 C ATOM 879 CG ARG A 54 8.083 -6.171 -10.679 1.00 41.15 C ATOM 880 CD ARG A 54 8.375 -7.615 -11.037 1.00 32.45 C ATOM 881 NE ARG A 54 7.760 -8.013 -12.301 1.00 0.42 N ATOM 882 CZ ARG A 54 6.703 -8.820 -12.390 1.00 74.22 C ATOM 883 NH1 ARG A 54 6.105 -9.256 -11.289 1.00 4.41 N ATOM 884 NH2 ARG A 54 6.247 -9.190 -13.578 1.00 41.21 N ATOM 0 H ARG A 54 9.542 -4.972 -7.212 1.00 73.43 H new ATOM 0 HA ARG A 54 8.649 -3.665 -9.497 1.00 53.32 H new ATOM 0 HB2 ARG A 54 9.794 -5.847 -9.441 1.00 52.11 H new ATOM 0 HB3 ARG A 54 8.431 -6.569 -8.609 1.00 52.11 H new ATOM 0 HG2 ARG A 54 7.005 -6.013 -10.636 1.00 41.15 H new ATOM 0 HG3 ARG A 54 8.471 -5.513 -11.456 1.00 41.15 H new ATOM 0 HD2 ARG A 54 9.454 -7.759 -11.100 1.00 32.45 H new ATOM 0 HD3 ARG A 54 8.012 -8.264 -10.240 1.00 32.45 H new ATOM 0 HE ARG A 54 8.163 -7.652 -13.166 1.00 0.42 H new ATOM 0 HH11 ARG A 54 6.454 -8.974 -10.373 1.00 4.41 H new ATOM 0 HH12 ARG A 54 5.296 -9.874 -11.358 1.00 4.41 H new ATOM 0 HH21 ARG A 54 6.705 -8.857 -14.426 1.00 41.21 H new ATOM 0 HH22 ARG A 54 5.438 -9.808 -13.644 1.00 41.21 H new ATOM 898 N HIS A 55 6.244 -4.873 -7.604 1.00 63.34 N ATOM 899 CA HIS A 55 4.797 -4.879 -7.388 1.00 43.51 C ATOM 900 C HIS A 55 4.309 -3.485 -7.046 1.00 55.42 C ATOM 901 O HIS A 55 3.194 -3.106 -7.395 1.00 32.45 O ATOM 902 CB HIS A 55 4.395 -5.866 -6.292 1.00 1.23 C ATOM 903 CG HIS A 55 4.809 -7.270 -6.582 1.00 20.11 C ATOM 904 ND1 HIS A 55 5.139 -7.714 -7.846 1.00 24.22 N ATOM 905 CD2 HIS A 55 5.008 -8.317 -5.754 1.00 51.24 C ATOM 906 CE1 HIS A 55 5.533 -8.972 -7.773 1.00 34.44 C ATOM 907 NE2 HIS A 55 5.459 -9.360 -6.518 1.00 22.31 N ATOM 0 H HIS A 55 6.783 -5.300 -6.851 1.00 63.34 H new ATOM 0 HA HIS A 55 4.325 -5.203 -8.316 1.00 43.51 H new ATOM 0 HB2 HIS A 55 4.840 -5.551 -5.348 1.00 1.23 H new ATOM 0 HB3 HIS A 55 3.313 -5.833 -6.162 1.00 1.23 H new ATOM 0 HD1 HIS A 55 5.087 -7.159 -8.700 1.00 24.22 H new ATOM 0 HD2 HIS A 55 4.842 -8.330 -4.687 1.00 51.24 H new ATOM 0 HE1 HIS A 55 5.861 -9.580 -8.603 1.00 34.44 H new ATOM 916 N ILE A 56 5.142 -2.734 -6.338 1.00 62.40 N ATOM 917 CA ILE A 56 4.859 -1.333 -6.067 1.00 61.13 C ATOM 918 C ILE A 56 4.722 -0.586 -7.393 1.00 72.41 C ATOM 919 O ILE A 56 3.868 0.283 -7.550 1.00 33.32 O ATOM 920 CB ILE A 56 5.970 -0.688 -5.209 1.00 33.31 C ATOM 921 CG1 ILE A 56 6.220 -1.515 -3.943 1.00 62.23 C ATOM 922 CG2 ILE A 56 5.607 0.744 -4.841 1.00 41.12 C ATOM 923 CD1 ILE A 56 4.992 -1.687 -3.070 1.00 70.14 C ATOM 0 H ILE A 56 6.019 -3.072 -5.941 1.00 62.40 H new ATOM 0 HA ILE A 56 3.928 -1.269 -5.504 1.00 61.13 H new ATOM 0 HB ILE A 56 6.886 -0.669 -5.800 1.00 33.31 H new ATOM 0 HG12 ILE A 56 6.590 -2.499 -4.231 1.00 62.23 H new ATOM 0 HG13 ILE A 56 7.006 -1.037 -3.358 1.00 62.23 H new ATOM 0 HG21 ILE A 56 6.404 1.178 -4.237 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.480 1.332 -5.750 1.00 41.12 H new ATOM 0 HG23 ILE A 56 4.677 0.749 -4.272 1.00 41.12 H new ATOM 0 HD11 ILE A 56 5.249 -2.283 -2.194 1.00 70.14 H new ATOM 0 HD12 ILE A 56 4.633 -0.709 -2.751 1.00 70.14 H new ATOM 0 HD13 ILE A 56 4.211 -2.193 -3.637 1.00 70.14 H new ATOM 935 N ASP A 57 5.558 -0.963 -8.353 1.00 52.22 N ATOM 936 CA ASP A 57 5.470 -0.438 -9.711 1.00 54.45 C ATOM 937 C ASP A 57 4.226 -0.989 -10.410 1.00 53.54 C ATOM 938 O ASP A 57 3.522 -0.261 -11.111 1.00 14.50 O ATOM 939 CB ASP A 57 6.735 -0.807 -10.495 1.00 44.15 C ATOM 940 CG ASP A 57 6.701 -0.342 -11.937 1.00 4.23 C ATOM 941 OD1 ASP A 57 6.923 0.861 -12.183 1.00 3.21 O ATOM 942 OD2 ASP A 57 6.486 -1.188 -12.834 1.00 53.01 O ATOM 0 H ASP A 57 6.311 -1.637 -8.214 1.00 52.22 H new ATOM 0 HA ASP A 57 5.389 0.648 -9.669 1.00 54.45 H new ATOM 0 HB2 ASP A 57 7.602 -0.370 -10.000 1.00 44.15 H new ATOM 0 HB3 ASP A 57 6.866 -1.889 -10.472 1.00 44.15 H new ATOM 947 N ASP A 58 3.953 -2.276 -10.185 1.00 42.50 N ATOM 948 CA ASP A 58 2.786 -2.948 -10.767 1.00 62.14 C ATOM 949 C ASP A 58 1.491 -2.238 -10.391 1.00 65.41 C ATOM 950 O ASP A 58 0.643 -1.981 -11.247 1.00 70.24 O ATOM 951 CB ASP A 58 2.687 -4.417 -10.310 1.00 1.54 C ATOM 952 CG ASP A 58 3.775 -5.320 -10.867 1.00 11.53 C ATOM 953 OD1 ASP A 58 4.020 -5.276 -12.091 1.00 10.54 O ATOM 954 OD2 ASP A 58 4.378 -6.094 -10.082 1.00 61.23 O ATOM 0 H ASP A 58 4.529 -2.880 -9.599 1.00 42.50 H new ATOM 0 HA ASP A 58 2.922 -2.915 -11.848 1.00 62.14 H new ATOM 0 HB2 ASP A 58 2.726 -4.450 -9.221 1.00 1.54 H new ATOM 0 HB3 ASP A 58 1.716 -4.813 -10.606 1.00 1.54 H new ATOM 959 N VAL A 59 1.329 -1.926 -9.112 1.00 64.44 N ATOM 960 CA VAL A 59 0.114 -1.273 -8.654 1.00 25.32 C ATOM 961 C VAL A 59 0.026 0.155 -9.197 1.00 40.22 C ATOM 962 O VAL A 59 -1.042 0.589 -9.624 1.00 32.44 O ATOM 963 CB VAL A 59 -0.017 -1.282 -7.107 1.00 44.11 C ATOM 964 CG1 VAL A 59 1.125 -0.536 -6.438 1.00 64.32 C ATOM 965 CG2 VAL A 59 -1.359 -0.702 -6.680 1.00 51.33 C ATOM 0 H VAL A 59 2.016 -2.113 -8.382 1.00 64.44 H new ATOM 0 HA VAL A 59 -0.723 -1.850 -9.048 1.00 25.32 H new ATOM 0 HB VAL A 59 0.036 -2.321 -6.781 1.00 44.11 H new ATOM 0 HG11 VAL A 59 0.995 -0.566 -5.356 1.00 64.32 H new ATOM 0 HG12 VAL A 59 2.072 -1.007 -6.703 1.00 64.32 H new ATOM 0 HG13 VAL A 59 1.129 0.501 -6.774 1.00 64.32 H new ATOM 0 HG21 VAL A 59 -1.432 -0.717 -5.593 1.00 51.33 H new ATOM 0 HG22 VAL A 59 -1.441 0.325 -7.035 1.00 51.33 H new ATOM 0 HG23 VAL A 59 -2.165 -1.299 -7.106 1.00 51.33 H new ATOM 975 N LEU A 60 1.156 0.862 -9.226 1.00 71.24 N ATOM 976 CA LEU A 60 1.188 2.239 -9.713 1.00 51.22 C ATOM 977 C LEU A 60 0.737 2.325 -11.162 1.00 41.24 C ATOM 978 O LEU A 60 -0.185 3.072 -11.488 1.00 54.04 O ATOM 979 CB LEU A 60 2.594 2.828 -9.590 1.00 70.45 C ATOM 980 CG LEU A 60 3.067 3.105 -8.167 1.00 10.10 C ATOM 981 CD1 LEU A 60 4.486 3.653 -8.188 1.00 65.43 C ATOM 982 CD2 LEU A 60 2.120 4.074 -7.473 1.00 12.44 C ATOM 0 H LEU A 60 2.060 0.503 -8.918 1.00 71.24 H new ATOM 0 HA LEU A 60 0.499 2.814 -9.094 1.00 51.22 H new ATOM 0 HB2 LEU A 60 3.299 2.143 -10.062 1.00 70.45 H new ATOM 0 HB3 LEU A 60 2.629 3.760 -10.154 1.00 70.45 H new ATOM 0 HG LEU A 60 3.066 2.171 -7.605 1.00 10.10 H new ATOM 0 HD11 LEU A 60 4.816 3.848 -7.168 1.00 65.43 H new ATOM 0 HD12 LEU A 60 5.151 2.924 -8.651 1.00 65.43 H new ATOM 0 HD13 LEU A 60 4.509 4.580 -8.760 1.00 65.43 H new ATOM 0 HD21 LEU A 60 2.471 4.262 -6.458 1.00 12.44 H new ATOM 0 HD22 LEU A 60 2.090 5.013 -8.026 1.00 12.44 H new ATOM 0 HD23 LEU A 60 1.120 3.642 -7.437 1.00 12.44 H new ATOM 994 N LYS A 61 1.369 1.537 -12.022 1.00 11.15 N ATOM 995 CA LYS A 61 1.090 1.581 -13.452 1.00 22.34 C ATOM 996 C LYS A 61 -0.383 1.275 -13.738 1.00 14.12 C ATOM 997 O LYS A 61 -0.974 1.823 -14.670 1.00 10.45 O ATOM 998 CB LYS A 61 2.008 0.601 -14.199 1.00 4.41 C ATOM 999 CG LYS A 61 1.821 -0.854 -13.808 1.00 73.02 C ATOM 1000 CD LYS A 61 2.870 -1.744 -14.454 1.00 54.52 C ATOM 1001 CE LYS A 61 2.606 -3.213 -14.172 1.00 41.01 C ATOM 1002 NZ LYS A 61 3.699 -4.081 -14.678 1.00 35.45 N ATOM 0 H LYS A 61 2.081 0.857 -11.753 1.00 11.15 H new ATOM 0 HA LYS A 61 1.291 2.590 -13.810 1.00 22.34 H new ATOM 0 HB2 LYS A 61 1.833 0.702 -15.270 1.00 4.41 H new ATOM 0 HB3 LYS A 61 3.045 0.883 -14.018 1.00 4.41 H new ATOM 0 HG2 LYS A 61 1.878 -0.951 -12.724 1.00 73.02 H new ATOM 0 HG3 LYS A 61 0.827 -1.187 -14.106 1.00 73.02 H new ATOM 0 HD2 LYS A 61 2.878 -1.575 -15.531 1.00 54.52 H new ATOM 0 HD3 LYS A 61 3.858 -1.473 -14.081 1.00 54.52 H new ATOM 0 HE2 LYS A 61 2.493 -3.361 -13.098 1.00 41.01 H new ATOM 0 HE3 LYS A 61 1.665 -3.508 -14.636 1.00 41.01 H new ATOM 0 HZ1 LYS A 61 3.338 -4.680 -15.447 1.00 35.45 H new ATOM 0 HZ2 LYS A 61 4.475 -3.489 -15.036 1.00 35.45 H new ATOM 0 HZ3 LYS A 61 4.050 -4.683 -13.906 1.00 35.45 H new ATOM 1016 N ALA A 62 -0.975 0.410 -12.924 1.00 74.44 N ATOM 1017 CA ALA A 62 -2.367 0.023 -13.101 1.00 13.41 C ATOM 1018 C ALA A 62 -3.330 1.033 -12.481 1.00 41.34 C ATOM 1019 O ALA A 62 -4.384 1.313 -13.049 1.00 23.53 O ATOM 1020 CB ALA A 62 -2.609 -1.364 -12.524 1.00 33.11 C ATOM 0 H ALA A 62 -0.511 -0.037 -12.133 1.00 74.44 H new ATOM 0 HA ALA A 62 -2.564 0.004 -14.173 1.00 13.41 H new ATOM 0 HB1 ALA A 62 -3.654 -1.639 -12.664 1.00 33.11 H new ATOM 0 HB2 ALA A 62 -1.972 -2.087 -13.034 1.00 33.11 H new ATOM 0 HB3 ALA A 62 -2.374 -1.361 -11.460 1.00 33.11 H new ATOM 1026 N VAL A 63 -2.986 1.581 -11.322 1.00 42.13 N ATOM 1027 CA VAL A 63 -3.897 2.487 -10.633 1.00 73.12 C ATOM 1028 C VAL A 63 -3.864 3.884 -11.259 1.00 24.32 C ATOM 1029 O VAL A 63 -4.853 4.616 -11.211 1.00 54.34 O ATOM 1030 CB VAL A 63 -3.615 2.561 -9.109 1.00 12.25 C ATOM 1031 CG1 VAL A 63 -2.340 3.331 -8.802 1.00 44.22 C ATOM 1032 CG2 VAL A 63 -4.800 3.164 -8.373 1.00 60.23 C ATOM 0 H VAL A 63 -2.099 1.418 -10.846 1.00 42.13 H new ATOM 0 HA VAL A 63 -4.900 2.077 -10.755 1.00 73.12 H new ATOM 0 HB VAL A 63 -3.468 1.540 -8.756 1.00 12.25 H new ATOM 0 HG11 VAL A 63 -2.182 3.358 -7.724 1.00 44.22 H new ATOM 0 HG12 VAL A 63 -1.493 2.839 -9.281 1.00 44.22 H new ATOM 0 HG13 VAL A 63 -2.430 4.349 -9.181 1.00 44.22 H new ATOM 0 HG21 VAL A 63 -4.582 3.207 -7.306 1.00 60.23 H new ATOM 0 HG22 VAL A 63 -4.986 4.171 -8.746 1.00 60.23 H new ATOM 0 HG23 VAL A 63 -5.683 2.547 -8.538 1.00 60.23 H new ATOM 1042 N MET A 64 -2.737 4.240 -11.875 1.00 24.12 N ATOM 1043 CA MET A 64 -2.621 5.521 -12.569 1.00 14.41 C ATOM 1044 C MET A 64 -3.562 5.574 -13.763 1.00 54.40 C ATOM 1045 O MET A 64 -4.215 6.589 -14.003 1.00 51.51 O ATOM 1046 CB MET A 64 -1.188 5.771 -13.048 1.00 42.43 C ATOM 1047 CG MET A 64 -0.204 6.072 -11.933 1.00 43.33 C ATOM 1048 SD MET A 64 1.452 6.432 -12.550 1.00 14.20 S ATOM 1049 CE MET A 64 2.341 6.685 -11.016 1.00 25.31 C ATOM 0 H MET A 64 -1.896 3.663 -11.907 1.00 24.12 H new ATOM 0 HA MET A 64 -2.893 6.298 -11.855 1.00 14.41 H new ATOM 0 HB2 MET A 64 -0.842 4.895 -13.596 1.00 42.43 H new ATOM 0 HB3 MET A 64 -1.191 6.605 -13.750 1.00 42.43 H new ATOM 0 HG2 MET A 64 -0.565 6.922 -11.354 1.00 43.33 H new ATOM 0 HG3 MET A 64 -0.158 5.221 -11.254 1.00 43.33 H new ATOM 0 HE1 MET A 64 3.402 6.494 -11.175 1.00 25.31 H new ATOM 0 HE2 MET A 64 2.203 7.713 -10.681 1.00 25.31 H new ATOM 0 HE3 MET A 64 1.959 6.002 -10.257 1.00 25.31 H new ATOM 1059 N LYS A 65 -3.636 4.475 -14.503 1.00 11.14 N ATOM 1060 CA LYS A 65 -4.456 4.424 -15.706 1.00 23.41 C ATOM 1061 C LYS A 65 -5.942 4.340 -15.370 1.00 61.40 C ATOM 1062 O LYS A 65 -6.744 5.121 -15.873 1.00 1.04 O ATOM 1063 CB LYS A 65 -4.047 3.243 -16.596 1.00 41.40 C ATOM 1064 CG LYS A 65 -4.029 1.897 -15.896 1.00 2.34 C ATOM 1065 CD LYS A 65 -4.275 0.763 -16.875 1.00 64.02 C ATOM 1066 CE LYS A 65 -5.678 0.835 -17.461 1.00 43.30 C ATOM 1067 NZ LYS A 65 -5.926 -0.243 -18.449 1.00 21.04 N ATOM 0 H LYS A 65 -3.140 3.609 -14.292 1.00 11.14 H new ATOM 0 HA LYS A 65 -4.286 5.351 -16.253 1.00 23.41 H new ATOM 0 HB2 LYS A 65 -4.733 3.188 -17.441 1.00 41.40 H new ATOM 0 HB3 LYS A 65 -3.055 3.439 -17.003 1.00 41.40 H new ATOM 0 HG2 LYS A 65 -3.067 1.753 -15.404 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -4.791 1.880 -15.117 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -3.540 0.807 -17.679 1.00 64.02 H new ATOM 0 HD3 LYS A 65 -4.138 -0.193 -16.370 1.00 64.02 H new ATOM 0 HE2 LYS A 65 -6.410 0.765 -16.657 1.00 43.30 H new ATOM 0 HE3 LYS A 65 -5.822 1.804 -17.939 1.00 43.30 H new ATOM 0 HZ1 LYS A 65 -6.893 -0.156 -18.822 1.00 21.04 H new ATOM 0 HZ2 LYS A 65 -5.244 -0.161 -19.230 1.00 21.04 H new ATOM 0 HZ3 LYS A 65 -5.815 -1.169 -17.988 1.00 21.04 H new ATOM 1081 N ARG A 66 -6.297 3.400 -14.507 1.00 42.44 N ATOM 1082 CA ARG A 66 -7.703 3.140 -14.199 1.00 11.11 C ATOM 1083 C ARG A 66 -8.281 4.203 -13.265 1.00 60.43 C ATOM 1084 O ARG A 66 -9.494 4.407 -13.223 1.00 24.24 O ATOM 1085 CB ARG A 66 -7.874 1.744 -13.588 1.00 24.33 C ATOM 1086 CG ARG A 66 -7.287 1.598 -12.193 1.00 4.42 C ATOM 1087 CD ARG A 66 -7.347 0.159 -11.709 1.00 31.12 C ATOM 1088 NE ARG A 66 -6.492 -0.725 -12.505 1.00 24.14 N ATOM 1089 CZ ARG A 66 -6.655 -2.048 -12.579 1.00 71.22 C ATOM 1090 NH1 ARG A 66 -7.660 -2.628 -11.939 1.00 75.25 N ATOM 1091 NH2 ARG A 66 -5.820 -2.786 -13.302 1.00 25.21 N ATOM 0 H ARG A 66 -5.637 2.804 -14.007 1.00 42.44 H new ATOM 0 HA ARG A 66 -8.257 3.184 -15.137 1.00 11.11 H new ATOM 0 HB2 ARG A 66 -8.937 1.504 -13.550 1.00 24.33 H new ATOM 0 HB3 ARG A 66 -7.405 1.012 -14.246 1.00 24.33 H new ATOM 0 HG2 ARG A 66 -6.252 1.939 -12.196 1.00 4.42 H new ATOM 0 HG3 ARG A 66 -7.832 2.239 -11.500 1.00 4.42 H new ATOM 0 HD2 ARG A 66 -7.040 0.115 -10.664 1.00 31.12 H new ATOM 0 HD3 ARG A 66 -8.377 -0.196 -11.754 1.00 31.12 H new ATOM 0 HE ARG A 66 -5.727 -0.305 -13.034 1.00 24.14 H new ATOM 0 HH11 ARG A 66 -8.309 -2.064 -11.390 1.00 75.25 H new ATOM 0 HH12 ARG A 66 -7.785 -3.639 -11.995 1.00 75.25 H new ATOM 0 HH21 ARG A 66 -5.051 -2.342 -13.803 1.00 25.21 H new ATOM 0 HH22 ARG A 66 -5.948 -3.796 -13.356 1.00 25.21 H new ATOM 1105 N GLY A 67 -7.415 4.880 -12.528 1.00 21.03 N ATOM 1106 CA GLY A 67 -7.872 5.893 -11.604 1.00 44.23 C ATOM 1107 C GLY A 67 -7.319 7.260 -11.934 1.00 14.31 C ATOM 1108 O GLY A 67 -7.804 7.929 -12.850 1.00 34.31 O ATOM 0 H GLY A 67 -6.404 4.746 -12.554 1.00 21.03 H new ATOM 0 HA2 GLY A 67 -8.961 5.931 -11.619 1.00 44.23 H new ATOM 0 HA3 GLY A 67 -7.576 5.618 -10.591 1.00 44.23 H new ATOM 1112 N ALA A 68 -6.296 7.667 -11.195 1.00 51.00 N ATOM 1113 CA ALA A 68 -5.678 8.971 -11.374 1.00 73.42 C ATOM 1114 C ALA A 68 -4.296 8.991 -10.735 1.00 52.43 C ATOM 1115 O ALA A 68 -4.072 8.339 -9.719 1.00 53.51 O ATOM 1116 CB ALA A 68 -6.555 10.057 -10.764 1.00 23.33 C ATOM 0 H ALA A 68 -5.873 7.104 -10.457 1.00 51.00 H new ATOM 0 HA ALA A 68 -5.573 9.164 -12.442 1.00 73.42 H new ATOM 0 HB1 ALA A 68 -6.081 11.029 -10.904 1.00 23.33 H new ATOM 0 HB2 ALA A 68 -7.530 10.054 -11.252 1.00 23.33 H new ATOM 0 HB3 ALA A 68 -6.682 9.866 -9.698 1.00 23.33 H new ATOM 1122 N PRO A 69 -3.350 9.741 -11.317 1.00 44.42 N ATOM 1123 CA PRO A 69 -1.988 9.853 -10.779 1.00 42.42 C ATOM 1124 C PRO A 69 -1.967 10.506 -9.396 1.00 53.23 C ATOM 1125 O PRO A 69 -1.111 10.198 -8.566 1.00 22.32 O ATOM 1126 CB PRO A 69 -1.263 10.735 -11.803 1.00 72.40 C ATOM 1127 CG PRO A 69 -2.344 11.458 -12.530 1.00 62.50 C ATOM 1128 CD PRO A 69 -3.522 10.528 -12.551 1.00 73.03 C ATOM 0 HA PRO A 69 -1.523 8.877 -10.642 1.00 42.42 H new ATOM 0 HB2 PRO A 69 -0.584 11.432 -11.312 1.00 72.40 H new ATOM 0 HB3 PRO A 69 -0.663 10.134 -12.486 1.00 72.40 H new ATOM 0 HG2 PRO A 69 -2.594 12.393 -12.028 1.00 62.50 H new ATOM 0 HG3 PRO A 69 -2.030 11.713 -13.542 1.00 62.50 H new ATOM 0 HD2 PRO A 69 -4.466 11.073 -12.553 1.00 73.03 H new ATOM 0 HD3 PRO A 69 -3.519 9.894 -13.437 1.00 73.03 H new ATOM 1136 N SER A 70 -2.938 11.379 -9.154 1.00 34.13 N ATOM 1137 CA SER A 70 -3.026 12.132 -7.907 1.00 41.21 C ATOM 1138 C SER A 70 -3.188 11.199 -6.702 1.00 73.42 C ATOM 1139 O SER A 70 -2.512 11.355 -5.687 1.00 60.34 O ATOM 1140 CB SER A 70 -4.209 13.095 -7.992 1.00 21.33 C ATOM 1141 OG SER A 70 -4.339 13.610 -9.310 1.00 53.10 O ATOM 0 H SER A 70 -3.686 11.585 -9.816 1.00 34.13 H new ATOM 0 HA SER A 70 -2.100 12.690 -7.767 1.00 41.21 H new ATOM 0 HB2 SER A 70 -5.126 12.580 -7.705 1.00 21.33 H new ATOM 0 HB3 SER A 70 -4.069 13.915 -7.287 1.00 21.33 H new ATOM 0 HG SER A 70 -5.102 14.224 -9.348 1.00 53.10 H new ATOM 1147 N ILE A 71 -4.092 10.237 -6.809 1.00 41.34 N ATOM 1148 CA ILE A 71 -4.282 9.272 -5.735 1.00 20.51 C ATOM 1149 C ILE A 71 -3.161 8.235 -5.741 1.00 62.32 C ATOM 1150 O ILE A 71 -2.796 7.693 -4.700 1.00 65.31 O ATOM 1151 CB ILE A 71 -5.676 8.591 -5.792 1.00 52.22 C ATOM 1152 CG1 ILE A 71 -5.972 7.991 -7.175 1.00 21.02 C ATOM 1153 CG2 ILE A 71 -6.762 9.589 -5.405 1.00 13.25 C ATOM 1154 CD1 ILE A 71 -5.477 6.569 -7.353 1.00 63.23 C ATOM 0 H ILE A 71 -4.699 10.104 -7.618 1.00 41.34 H new ATOM 0 HA ILE A 71 -4.242 9.822 -4.795 1.00 20.51 H new ATOM 0 HB ILE A 71 -5.668 7.768 -5.078 1.00 52.22 H new ATOM 0 HG12 ILE A 71 -7.048 8.013 -7.346 1.00 21.02 H new ATOM 0 HG13 ILE A 71 -5.515 8.621 -7.938 1.00 21.02 H new ATOM 0 HG21 ILE A 71 -7.736 9.102 -5.448 1.00 13.25 H new ATOM 0 HG22 ILE A 71 -6.581 9.949 -4.392 1.00 13.25 H new ATOM 0 HG23 ILE A 71 -6.746 10.431 -6.098 1.00 13.25 H new ATOM 0 HD11 ILE A 71 -5.726 6.220 -8.355 1.00 63.23 H new ATOM 0 HD12 ILE A 71 -4.396 6.540 -7.216 1.00 63.23 H new ATOM 0 HD13 ILE A 71 -5.953 5.923 -6.615 1.00 63.23 H new ATOM 1166 N ALA A 72 -2.597 7.997 -6.923 1.00 42.04 N ATOM 1167 CA ALA A 72 -1.552 6.994 -7.098 1.00 11.41 C ATOM 1168 C ALA A 72 -0.285 7.360 -6.329 1.00 51.25 C ATOM 1169 O ALA A 72 0.306 6.515 -5.658 1.00 62.42 O ATOM 1170 CB ALA A 72 -1.235 6.816 -8.574 1.00 40.45 C ATOM 0 H ALA A 72 -2.850 8.490 -7.779 1.00 42.04 H new ATOM 0 HA ALA A 72 -1.926 6.053 -6.695 1.00 11.41 H new ATOM 0 HB1 ALA A 72 -0.454 6.065 -8.690 1.00 40.45 H new ATOM 0 HB2 ALA A 72 -2.132 6.492 -9.102 1.00 40.45 H new ATOM 0 HB3 ALA A 72 -0.892 7.764 -8.989 1.00 40.45 H new ATOM 1176 N ASN A 73 0.142 8.620 -6.421 1.00 53.31 N ATOM 1177 CA ASN A 73 1.338 9.052 -5.706 1.00 33.22 C ATOM 1178 C ASN A 73 1.078 9.049 -4.205 1.00 24.22 C ATOM 1179 O ASN A 73 1.994 8.873 -3.401 1.00 10.21 O ATOM 1180 CB ASN A 73 1.824 10.441 -6.164 1.00 61.52 C ATOM 1181 CG ASN A 73 0.911 11.582 -5.740 1.00 53.05 C ATOM 1182 OD1 ASN A 73 0.054 12.023 -6.500 1.00 13.04 O ATOM 1183 ND2 ASN A 73 1.101 12.077 -4.525 1.00 42.40 N ATOM 0 H ASN A 73 -0.314 9.346 -6.974 1.00 53.31 H new ATOM 0 HA ASN A 73 2.132 8.343 -5.939 1.00 33.22 H new ATOM 0 HB2 ASN A 73 2.821 10.617 -5.761 1.00 61.52 H new ATOM 0 HB3 ASN A 73 1.914 10.444 -7.250 1.00 61.52 H new ATOM 0 HD21 ASN A 73 0.525 12.851 -4.194 1.00 42.40 H new ATOM 0 HD22 ASN A 73 1.823 11.684 -3.921 1.00 42.40 H new ATOM 1190 N ASP A 74 -0.183 9.220 -3.831 1.00 64.42 N ATOM 1191 CA ASP A 74 -0.568 9.228 -2.428 1.00 52.13 C ATOM 1192 C ASP A 74 -0.442 7.824 -1.840 1.00 54.42 C ATOM 1193 O ASP A 74 -0.157 7.656 -0.658 1.00 25.11 O ATOM 1194 CB ASP A 74 -1.992 9.761 -2.264 1.00 44.04 C ATOM 1195 CG ASP A 74 -2.360 9.996 -0.815 1.00 24.22 C ATOM 1196 OD1 ASP A 74 -1.886 11.000 -0.233 1.00 63.21 O ATOM 1197 OD2 ASP A 74 -3.127 9.187 -0.259 1.00 45.05 O ATOM 0 H ASP A 74 -0.957 9.355 -4.481 1.00 64.42 H new ATOM 0 HA ASP A 74 0.105 9.892 -1.884 1.00 52.13 H new ATOM 0 HB2 ASP A 74 -2.093 10.695 -2.817 1.00 44.04 H new ATOM 0 HB3 ASP A 74 -2.694 9.053 -2.704 1.00 44.04 H new ATOM 1202 N THR A 75 -0.640 6.813 -2.677 1.00 24.31 N ATOM 1203 CA THR A 75 -0.468 5.433 -2.252 1.00 71.51 C ATOM 1204 C THR A 75 0.975 5.187 -1.800 1.00 51.14 C ATOM 1205 O THR A 75 1.215 4.547 -0.780 1.00 64.31 O ATOM 1206 CB THR A 75 -0.843 4.453 -3.385 1.00 61.31 C ATOM 1207 OG1 THR A 75 -2.169 4.738 -3.850 1.00 42.31 O ATOM 1208 CG2 THR A 75 -0.779 3.011 -2.906 1.00 21.15 C ATOM 0 H THR A 75 -0.919 6.924 -3.652 1.00 24.31 H new ATOM 0 HA THR A 75 -1.137 5.256 -1.410 1.00 71.51 H new ATOM 0 HB THR A 75 -0.126 4.582 -4.196 1.00 61.31 H new ATOM 0 HG1 THR A 75 -2.571 3.921 -4.214 1.00 42.31 H new ATOM 0 HG21 THR A 75 -1.048 2.343 -3.725 1.00 21.15 H new ATOM 0 HG22 THR A 75 0.233 2.784 -2.570 1.00 21.15 H new ATOM 0 HG23 THR A 75 -1.476 2.871 -2.080 1.00 21.15 H new ATOM 1216 N LEU A 76 1.930 5.746 -2.543 1.00 60.32 N ATOM 1217 CA LEU A 76 3.350 5.573 -2.241 1.00 22.41 C ATOM 1218 C LEU A 76 3.705 6.106 -0.854 1.00 34.14 C ATOM 1219 O LEU A 76 4.371 5.430 -0.070 1.00 74.53 O ATOM 1220 CB LEU A 76 4.205 6.276 -3.296 1.00 14.01 C ATOM 1221 CG LEU A 76 4.116 5.683 -4.699 1.00 15.40 C ATOM 1222 CD1 LEU A 76 4.964 6.492 -5.668 1.00 71.32 C ATOM 1223 CD2 LEU A 76 4.559 4.228 -4.677 1.00 62.11 C ATOM 0 H LEU A 76 1.744 6.325 -3.362 1.00 60.32 H new ATOM 0 HA LEU A 76 3.557 4.503 -2.254 1.00 22.41 H new ATOM 0 HB2 LEU A 76 3.910 7.324 -3.342 1.00 14.01 H new ATOM 0 HB3 LEU A 76 5.246 6.252 -2.973 1.00 14.01 H new ATOM 0 HG LEU A 76 3.081 5.724 -5.038 1.00 15.40 H new ATOM 0 HD11 LEU A 76 4.891 6.058 -6.665 1.00 71.32 H new ATOM 0 HD12 LEU A 76 4.606 7.521 -5.693 1.00 71.32 H new ATOM 0 HD13 LEU A 76 6.004 6.478 -5.341 1.00 71.32 H new ATOM 0 HD21 LEU A 76 4.492 3.812 -5.682 1.00 62.11 H new ATOM 0 HD22 LEU A 76 5.589 4.167 -4.326 1.00 62.11 H new ATOM 0 HD23 LEU A 76 3.913 3.661 -4.006 1.00 62.11 H new ATOM 1235 N ARG A 77 3.241 7.313 -0.548 1.00 62.22 N ATOM 1236 CA ARG A 77 3.534 7.940 0.742 1.00 71.44 C ATOM 1237 C ARG A 77 2.898 7.148 1.888 1.00 11.23 C ATOM 1238 O ARG A 77 3.422 7.114 3.000 1.00 31.23 O ATOM 1239 CB ARG A 77 3.083 9.407 0.758 1.00 73.25 C ATOM 1240 CG ARG A 77 1.595 9.601 0.552 1.00 10.34 C ATOM 1241 CD ARG A 77 1.247 11.049 0.258 1.00 3.12 C ATOM 1242 NE ARG A 77 1.547 11.936 1.377 1.00 72.34 N ATOM 1243 CZ ARG A 77 0.630 12.690 1.982 1.00 62.05 C ATOM 1244 NH1 ARG A 77 -0.648 12.610 1.621 1.00 43.11 N ATOM 1245 NH2 ARG A 77 0.986 13.509 2.963 1.00 41.32 N ATOM 0 H ARG A 77 2.663 7.877 -1.171 1.00 62.22 H new ATOM 0 HA ARG A 77 4.614 7.928 0.887 1.00 71.44 H new ATOM 0 HB2 ARG A 77 3.368 9.853 1.711 1.00 73.25 H new ATOM 0 HB3 ARG A 77 3.620 9.949 -0.020 1.00 73.25 H new ATOM 0 HG2 ARG A 77 1.258 8.972 -0.272 1.00 10.34 H new ATOM 0 HG3 ARG A 77 1.060 9.273 1.443 1.00 10.34 H new ATOM 0 HD2 ARG A 77 1.799 11.380 -0.622 1.00 3.12 H new ATOM 0 HD3 ARG A 77 0.187 11.122 0.015 1.00 3.12 H new ATOM 0 HE ARG A 77 2.509 11.981 1.714 1.00 72.34 H new ATOM 0 HH11 ARG A 77 -0.929 11.970 0.878 1.00 43.11 H new ATOM 0 HH12 ARG A 77 -1.347 13.189 2.087 1.00 43.11 H new ATOM 0 HH21 ARG A 77 1.962 13.562 3.254 1.00 41.32 H new ATOM 0 HH22 ARG A 77 0.284 14.086 3.426 1.00 41.32 H new ATOM 1259 N TRP A 78 1.759 6.528 1.617 1.00 1.44 N ATOM 1260 CA TRP A 78 1.094 5.692 2.606 1.00 14.15 C ATOM 1261 C TRP A 78 1.829 4.351 2.753 1.00 33.01 C ATOM 1262 O TRP A 78 1.994 3.841 3.862 1.00 54.20 O ATOM 1263 CB TRP A 78 -0.369 5.471 2.205 1.00 43.40 C ATOM 1264 CG TRP A 78 -1.213 4.862 3.286 1.00 51.20 C ATOM 1265 CD1 TRP A 78 -1.789 3.626 3.280 1.00 50.14 C ATOM 1266 CD2 TRP A 78 -1.575 5.467 4.535 1.00 14.55 C ATOM 1267 NE1 TRP A 78 -2.497 3.429 4.442 1.00 10.24 N ATOM 1268 CE2 TRP A 78 -2.378 4.542 5.227 1.00 31.42 C ATOM 1269 CE3 TRP A 78 -1.299 6.700 5.133 1.00 63.30 C ATOM 1270 CZ2 TRP A 78 -2.907 4.812 6.487 1.00 71.34 C ATOM 1271 CZ3 TRP A 78 -1.826 6.966 6.384 1.00 44.52 C ATOM 1272 CH2 TRP A 78 -2.621 6.026 7.048 1.00 4.11 C ATOM 0 H TRP A 78 1.276 6.588 0.721 1.00 1.44 H new ATOM 0 HA TRP A 78 1.116 6.198 3.571 1.00 14.15 H new ATOM 0 HB2 TRP A 78 -0.804 6.427 1.914 1.00 43.40 H new ATOM 0 HB3 TRP A 78 -0.401 4.826 1.327 1.00 43.40 H new ATOM 0 HD1 TRP A 78 -1.702 2.907 2.479 1.00 50.14 H new ATOM 0 HE1 TRP A 78 -3.025 2.589 4.680 1.00 10.24 H new ATOM 0 HE3 TRP A 78 -0.686 7.431 4.628 1.00 63.30 H new ATOM 0 HZ2 TRP A 78 -3.521 4.088 7.002 1.00 71.34 H new ATOM 0 HZ3 TRP A 78 -1.620 7.915 6.856 1.00 44.52 H new ATOM 0 HH2 TRP A 78 -3.017 6.264 8.024 1.00 4.11 H new ATOM 1283 N LEU A 79 2.291 3.802 1.629 1.00 62.22 N ATOM 1284 CA LEU A 79 2.993 2.516 1.623 1.00 21.31 C ATOM 1285 C LEU A 79 4.345 2.603 2.322 1.00 33.54 C ATOM 1286 O LEU A 79 4.724 1.689 3.054 1.00 20.14 O ATOM 1287 CB LEU A 79 3.201 2.009 0.194 1.00 4.44 C ATOM 1288 CG LEU A 79 1.926 1.661 -0.567 1.00 75.31 C ATOM 1289 CD1 LEU A 79 2.260 1.169 -1.967 1.00 4.05 C ATOM 1290 CD2 LEU A 79 1.116 0.618 0.189 1.00 75.04 C ATOM 0 H LEU A 79 2.192 4.229 0.708 1.00 62.22 H new ATOM 0 HA LEU A 79 2.362 1.815 2.170 1.00 21.31 H new ATOM 0 HB2 LEU A 79 3.744 2.769 -0.368 1.00 4.44 H new ATOM 0 HB3 LEU A 79 3.836 1.124 0.229 1.00 4.44 H new ATOM 0 HG LEU A 79 1.321 2.564 -0.654 1.00 75.31 H new ATOM 0 HD11 LEU A 79 1.339 0.925 -2.496 1.00 4.05 H new ATOM 0 HD12 LEU A 79 2.794 1.949 -2.509 1.00 4.05 H new ATOM 0 HD13 LEU A 79 2.887 0.280 -1.900 1.00 4.05 H new ATOM 0 HD21 LEU A 79 0.211 0.384 -0.371 1.00 75.04 H new ATOM 0 HD22 LEU A 79 1.711 -0.287 0.311 1.00 75.04 H new ATOM 0 HD23 LEU A 79 0.845 1.009 1.170 1.00 75.04 H new ATOM 1302 N LYS A 80 5.078 3.689 2.088 1.00 51.14 N ATOM 1303 CA LYS A 80 6.388 3.863 2.720 1.00 22.44 C ATOM 1304 C LYS A 80 6.252 3.794 4.241 1.00 61.32 C ATOM 1305 O LYS A 80 7.119 3.255 4.927 1.00 1.02 O ATOM 1306 CB LYS A 80 7.051 5.187 2.306 1.00 51.33 C ATOM 1307 CG LYS A 80 6.301 6.421 2.774 1.00 53.12 C ATOM 1308 CD LYS A 80 7.160 7.674 2.721 1.00 64.43 C ATOM 1309 CE LYS A 80 7.518 8.072 1.299 1.00 55.14 C ATOM 1310 NZ LYS A 80 8.296 9.337 1.273 1.00 51.51 N ATOM 0 H LYS A 80 4.795 4.453 1.475 1.00 51.14 H new ATOM 0 HA LYS A 80 7.030 3.052 2.378 1.00 22.44 H new ATOM 0 HB2 LYS A 80 8.064 5.216 2.706 1.00 51.33 H new ATOM 0 HB3 LYS A 80 7.136 5.216 1.220 1.00 51.33 H new ATOM 0 HG2 LYS A 80 5.417 6.563 2.153 1.00 53.12 H new ATOM 0 HG3 LYS A 80 5.952 6.266 3.795 1.00 53.12 H new ATOM 0 HD2 LYS A 80 6.629 8.495 3.202 1.00 64.43 H new ATOM 0 HD3 LYS A 80 8.075 7.508 3.290 1.00 64.43 H new ATOM 0 HE2 LYS A 80 8.098 7.276 0.831 1.00 55.14 H new ATOM 0 HE3 LYS A 80 6.607 8.190 0.712 1.00 55.14 H new ATOM 0 HZ1 LYS A 80 8.526 9.583 0.289 1.00 51.51 H new ATOM 0 HZ2 LYS A 80 7.732 10.100 1.698 1.00 51.51 H new ATOM 0 HZ3 LYS A 80 9.176 9.215 1.814 1.00 51.51 H new ATOM 1324 N ARG A 81 5.142 4.320 4.751 1.00 53.33 N ATOM 1325 CA ARG A 81 4.843 4.271 6.177 1.00 52.42 C ATOM 1326 C ARG A 81 4.485 2.848 6.596 1.00 20.35 C ATOM 1327 O ARG A 81 4.902 2.370 7.654 1.00 34.12 O ATOM 1328 CB ARG A 81 3.674 5.202 6.505 1.00 10.21 C ATOM 1329 CG ARG A 81 3.961 6.683 6.321 1.00 13.44 C ATOM 1330 CD ARG A 81 2.688 7.501 6.477 1.00 30.14 C ATOM 1331 NE ARG A 81 2.946 8.939 6.544 1.00 23.10 N ATOM 1332 CZ ARG A 81 2.056 9.875 6.211 1.00 13.34 C ATOM 1333 NH1 ARG A 81 0.873 9.530 5.717 1.00 23.24 N ATOM 1334 NH2 ARG A 81 2.349 11.159 6.377 1.00 14.42 N ATOM 0 H ARG A 81 4.430 4.789 4.191 1.00 53.33 H new ATOM 0 HA ARG A 81 5.729 4.595 6.723 1.00 52.42 H new ATOM 0 HB2 ARG A 81 2.826 4.931 5.876 1.00 10.21 H new ATOM 0 HB3 ARG A 81 3.372 5.031 7.538 1.00 10.21 H new ATOM 0 HG2 ARG A 81 4.700 7.009 7.053 1.00 13.44 H new ATOM 0 HG3 ARG A 81 4.391 6.855 5.334 1.00 13.44 H new ATOM 0 HD2 ARG A 81 2.023 7.294 5.639 1.00 30.14 H new ATOM 0 HD3 ARG A 81 2.168 7.187 7.382 1.00 30.14 H new ATOM 0 HE ARG A 81 3.864 9.245 6.866 1.00 23.10 H new ATOM 0 HH11 ARG A 81 0.641 8.545 5.590 1.00 23.24 H new ATOM 0 HH12 ARG A 81 0.196 10.250 5.464 1.00 23.24 H new ATOM 0 HH21 ARG A 81 3.255 11.430 6.759 1.00 14.42 H new ATOM 0 HH22 ARG A 81 1.668 11.875 6.122 1.00 14.42 H new ATOM 1348 N MET A 82 3.712 2.184 5.747 1.00 61.04 N ATOM 1349 CA MET A 82 3.236 0.831 6.009 1.00 61.11 C ATOM 1350 C MET A 82 4.393 -0.161 6.084 1.00 22.04 C ATOM 1351 O MET A 82 4.460 -0.981 6.999 1.00 62.22 O ATOM 1352 CB MET A 82 2.261 0.415 4.909 1.00 4.52 C ATOM 1353 CG MET A 82 1.614 -0.940 5.133 1.00 21.33 C ATOM 1354 SD MET A 82 0.512 -1.396 3.784 1.00 52.34 S ATOM 1355 CE MET A 82 -0.597 0.009 3.771 1.00 52.53 C ATOM 0 H MET A 82 3.397 2.568 4.856 1.00 61.04 H new ATOM 0 HA MET A 82 2.729 0.825 6.974 1.00 61.11 H new ATOM 0 HB2 MET A 82 1.479 1.170 4.827 1.00 4.52 H new ATOM 0 HB3 MET A 82 2.790 0.400 3.956 1.00 4.52 H new ATOM 0 HG2 MET A 82 2.390 -1.698 5.239 1.00 21.33 H new ATOM 0 HG3 MET A 82 1.054 -0.924 6.068 1.00 21.33 H new ATOM 0 HE1 MET A 82 -1.614 -0.332 3.580 1.00 52.53 H new ATOM 0 HE2 MET A 82 -0.558 0.512 4.737 1.00 52.53 H new ATOM 0 HE3 MET A 82 -0.295 0.704 2.988 1.00 52.53 H new ATOM 1365 N PHE A 83 5.301 -0.082 5.123 1.00 53.22 N ATOM 1366 CA PHE A 83 6.465 -0.959 5.110 1.00 24.32 C ATOM 1367 C PHE A 83 7.429 -0.602 6.234 1.00 1.13 C ATOM 1368 O PHE A 83 8.081 -1.474 6.792 1.00 62.44 O ATOM 1369 CB PHE A 83 7.170 -0.908 3.754 1.00 23.42 C ATOM 1370 CG PHE A 83 6.431 -1.654 2.677 1.00 11.34 C ATOM 1371 CD1 PHE A 83 6.582 -3.026 2.542 1.00 35.21 C ATOM 1372 CD2 PHE A 83 5.581 -0.990 1.809 1.00 21.25 C ATOM 1373 CE1 PHE A 83 5.898 -3.718 1.561 1.00 40.31 C ATOM 1374 CE2 PHE A 83 4.897 -1.678 0.823 1.00 10.44 C ATOM 1375 CZ PHE A 83 5.056 -3.044 0.701 1.00 73.54 C ATOM 0 H PHE A 83 5.256 0.576 4.345 1.00 53.22 H new ATOM 0 HA PHE A 83 6.118 -1.979 5.274 1.00 24.32 H new ATOM 0 HB2 PHE A 83 7.288 0.132 3.451 1.00 23.42 H new ATOM 0 HB3 PHE A 83 8.171 -1.326 3.856 1.00 23.42 H new ATOM 0 HD1 PHE A 83 7.241 -3.559 3.211 1.00 35.21 H new ATOM 0 HD2 PHE A 83 5.450 0.078 1.903 1.00 21.25 H new ATOM 0 HE1 PHE A 83 6.023 -4.787 1.468 1.00 40.31 H new ATOM 0 HE2 PHE A 83 4.240 -1.148 0.150 1.00 10.44 H new ATOM 0 HZ PHE A 83 4.522 -3.584 -0.067 1.00 73.54 H new ATOM 1385 N ASN A 84 7.509 0.680 6.571 1.00 2.35 N ATOM 1386 CA ASN A 84 8.328 1.120 7.698 1.00 45.43 C ATOM 1387 C ASN A 84 7.839 0.467 8.985 1.00 25.15 C ATOM 1388 O ASN A 84 8.631 0.028 9.820 1.00 13.23 O ATOM 1389 CB ASN A 84 8.286 2.646 7.820 1.00 11.32 C ATOM 1390 CG ASN A 84 8.823 3.144 9.150 1.00 2.43 C ATOM 1391 OD1 ASN A 84 8.063 3.383 10.091 1.00 44.20 O ATOM 1392 ND2 ASN A 84 10.133 3.287 9.243 1.00 2.41 N ATOM 0 H ASN A 84 7.020 1.431 6.084 1.00 2.35 H new ATOM 0 HA ASN A 84 9.361 0.817 7.524 1.00 45.43 H new ATOM 0 HB2 ASN A 84 8.867 3.087 7.010 1.00 11.32 H new ATOM 0 HB3 ASN A 84 7.258 2.988 7.697 1.00 11.32 H new ATOM 0 HD21 ASN A 84 10.550 3.606 10.117 1.00 2.41 H new ATOM 0 HD22 ASN A 84 10.727 3.078 8.440 1.00 2.41 H new ATOM 1399 N TYR A 85 6.523 0.392 9.108 1.00 11.04 N ATOM 1400 CA TYR A 85 5.863 -0.269 10.227 1.00 63.03 C ATOM 1401 C TYR A 85 6.348 -1.715 10.372 1.00 55.24 C ATOM 1402 O TYR A 85 6.467 -2.232 11.484 1.00 12.12 O ATOM 1403 CB TYR A 85 4.348 -0.218 10.008 1.00 25.11 C ATOM 1404 CG TYR A 85 3.514 -0.870 11.090 1.00 65.55 C ATOM 1405 CD1 TYR A 85 3.535 -0.400 12.396 1.00 43.41 C ATOM 1406 CD2 TYR A 85 2.682 -1.941 10.790 1.00 1.41 C ATOM 1407 CE1 TYR A 85 2.749 -0.981 13.373 1.00 51.33 C ATOM 1408 CE2 TYR A 85 1.899 -2.529 11.763 1.00 12.00 C ATOM 1409 CZ TYR A 85 1.936 -2.045 13.051 1.00 12.24 C ATOM 1410 OH TYR A 85 1.149 -2.621 14.021 1.00 24.31 O ATOM 0 H TYR A 85 5.876 0.791 8.429 1.00 11.04 H new ATOM 0 HA TYR A 85 6.112 0.250 11.153 1.00 63.03 H new ATOM 0 HB2 TYR A 85 4.046 0.825 9.919 1.00 25.11 H new ATOM 0 HB3 TYR A 85 4.119 -0.699 9.057 1.00 25.11 H new ATOM 0 HD1 TYR A 85 4.175 0.432 12.652 1.00 43.41 H new ATOM 0 HD2 TYR A 85 2.647 -2.320 9.779 1.00 1.41 H new ATOM 0 HE1 TYR A 85 2.772 -0.602 14.384 1.00 51.33 H new ATOM 0 HE2 TYR A 85 1.261 -3.364 11.515 1.00 12.00 H new ATOM 0 HH TYR A 85 1.041 -3.576 13.830 1.00 24.31 H new ATOM 1420 N ALA A 86 6.642 -2.355 9.242 1.00 3.03 N ATOM 1421 CA ALA A 86 7.133 -3.727 9.241 1.00 10.21 C ATOM 1422 C ALA A 86 8.525 -3.820 9.865 1.00 45.10 C ATOM 1423 O ALA A 86 8.821 -4.768 10.592 1.00 3.44 O ATOM 1424 CB ALA A 86 7.151 -4.287 7.827 1.00 74.44 C ATOM 0 H ALA A 86 6.548 -1.942 8.314 1.00 3.03 H new ATOM 0 HA ALA A 86 6.451 -4.324 9.847 1.00 10.21 H new ATOM 0 HB1 ALA A 86 7.521 -5.312 7.846 1.00 74.44 H new ATOM 0 HB2 ALA A 86 6.141 -4.273 7.417 1.00 74.44 H new ATOM 0 HB3 ALA A 86 7.804 -3.678 7.203 1.00 74.44 H new ATOM 1430 N ILE A 87 9.372 -2.834 9.582 1.00 53.21 N ATOM 1431 CA ILE A 87 10.722 -2.790 10.151 1.00 64.44 C ATOM 1432 C ILE A 87 10.650 -2.584 11.662 1.00 22.25 C ATOM 1433 O ILE A 87 11.419 -3.175 12.422 1.00 51.22 O ATOM 1434 CB ILE A 87 11.596 -1.673 9.508 1.00 60.42 C ATOM 1435 CG1 ILE A 87 12.076 -2.067 8.105 1.00 20.13 C ATOM 1436 CG2 ILE A 87 12.801 -1.350 10.382 1.00 53.21 C ATOM 1437 CD1 ILE A 87 10.979 -2.230 7.080 1.00 43.04 C ATOM 0 H ILE A 87 9.151 -2.054 8.963 1.00 53.21 H new ATOM 0 HA ILE A 87 11.196 -3.747 9.932 1.00 64.44 H new ATOM 0 HB ILE A 87 10.966 -0.788 9.424 1.00 60.42 H new ATOM 0 HG12 ILE A 87 12.775 -1.310 7.750 1.00 20.13 H new ATOM 0 HG13 ILE A 87 12.629 -3.004 8.176 1.00 20.13 H new ATOM 0 HG21 ILE A 87 13.394 -0.567 9.909 1.00 53.21 H new ATOM 0 HG22 ILE A 87 12.460 -1.007 11.359 1.00 53.21 H new ATOM 0 HG23 ILE A 87 13.412 -2.244 10.504 1.00 53.21 H new ATOM 0 HD11 ILE A 87 11.416 -2.509 6.121 1.00 43.04 H new ATOM 0 HD12 ILE A 87 10.290 -3.010 7.405 1.00 43.04 H new ATOM 0 HD13 ILE A 87 10.438 -1.290 6.973 1.00 43.04 H new ATOM 1449 N LYS A 88 9.709 -1.752 12.089 1.00 60.23 N ATOM 1450 CA LYS A 88 9.475 -1.505 13.510 1.00 20.31 C ATOM 1451 C LYS A 88 9.061 -2.786 14.207 1.00 12.14 C ATOM 1452 O LYS A 88 9.567 -3.131 15.273 1.00 3.53 O ATOM 1453 CB LYS A 88 8.368 -0.482 13.678 1.00 43.41 C ATOM 1454 CG LYS A 88 8.594 0.783 12.885 1.00 71.20 C ATOM 1455 CD LYS A 88 7.341 1.626 12.835 1.00 1.44 C ATOM 1456 CE LYS A 88 6.837 1.944 14.226 1.00 12.34 C ATOM 1457 NZ LYS A 88 5.902 3.096 14.229 1.00 75.42 N ATOM 0 H LYS A 88 9.090 -1.232 11.467 1.00 60.23 H new ATOM 0 HA LYS A 88 10.400 -1.133 13.951 1.00 20.31 H new ATOM 0 HB2 LYS A 88 7.422 -0.929 13.373 1.00 43.41 H new ATOM 0 HB3 LYS A 88 8.275 -0.228 14.734 1.00 43.41 H new ATOM 0 HG2 LYS A 88 9.404 1.357 13.334 1.00 71.20 H new ATOM 0 HG3 LYS A 88 8.906 0.530 11.872 1.00 71.20 H new ATOM 0 HD2 LYS A 88 7.545 2.553 12.299 1.00 1.44 H new ATOM 0 HD3 LYS A 88 6.567 1.099 12.277 1.00 1.44 H new ATOM 0 HE2 LYS A 88 6.335 1.069 14.639 1.00 12.34 H new ATOM 0 HE3 LYS A 88 7.683 2.162 14.877 1.00 12.34 H new ATOM 0 HZ1 LYS A 88 5.581 3.280 15.201 1.00 75.42 H new ATOM 0 HZ2 LYS A 88 6.388 3.938 13.860 1.00 75.42 H new ATOM 0 HZ3 LYS A 88 5.081 2.878 13.629 1.00 75.42 H new ATOM 1471 N ARG A 89 8.124 -3.480 13.584 1.00 24.43 N ATOM 1472 CA ARG A 89 7.655 -4.777 14.078 1.00 70.52 C ATOM 1473 C ARG A 89 8.728 -5.858 13.928 1.00 75.31 C ATOM 1474 O ARG A 89 8.552 -6.980 14.405 1.00 60.23 O ATOM 1475 CB ARG A 89 6.393 -5.209 13.331 1.00 54.55 C ATOM 1476 CG ARG A 89 5.180 -4.343 13.614 1.00 10.12 C ATOM 1477 CD ARG A 89 4.789 -4.401 15.079 1.00 21.40 C ATOM 1478 NE ARG A 89 3.571 -3.646 15.351 1.00 13.34 N ATOM 1479 CZ ARG A 89 3.199 -3.242 16.562 1.00 3.11 C ATOM 1480 NH1 ARG A 89 3.952 -3.518 17.619 1.00 41.53 N ATOM 1481 NH2 ARG A 89 2.064 -2.568 16.710 1.00 34.33 N ATOM 0 H ARG A 89 7.666 -3.169 12.727 1.00 24.43 H new ATOM 0 HA ARG A 89 7.430 -4.658 15.138 1.00 70.52 H new ATOM 0 HB2 ARG A 89 6.595 -5.195 12.260 1.00 54.55 H new ATOM 0 HB3 ARG A 89 6.161 -6.240 13.598 1.00 54.55 H new ATOM 0 HG2 ARG A 89 5.394 -3.312 13.333 1.00 10.12 H new ATOM 0 HG3 ARG A 89 4.343 -4.674 12.999 1.00 10.12 H new ATOM 0 HD2 ARG A 89 4.645 -5.440 15.375 1.00 21.40 H new ATOM 0 HD3 ARG A 89 5.603 -4.007 15.687 1.00 21.40 H new ATOM 0 HE ARG A 89 2.967 -3.413 14.563 1.00 13.34 H new ATOM 0 HH11 ARG A 89 4.820 -4.042 17.504 1.00 41.53 H new ATOM 0 HH12 ARG A 89 3.663 -3.206 18.546 1.00 41.53 H new ATOM 0 HH21 ARG A 89 1.483 -2.363 15.897 1.00 34.33 H new ATOM 0 HH22 ARG A 89 1.773 -2.256 17.636 1.00 34.33 H new ATOM 1495 N HIS A 90 9.824 -5.507 13.258 1.00 5.25 N ATOM 1496 CA HIS A 90 10.969 -6.401 13.063 1.00 42.13 C ATOM 1497 C HIS A 90 10.591 -7.579 12.167 1.00 42.31 C ATOM 1498 O HIS A 90 11.176 -8.658 12.251 1.00 31.41 O ATOM 1499 CB HIS A 90 11.512 -6.898 14.411 1.00 64.14 C ATOM 1500 CG HIS A 90 12.915 -7.429 14.340 1.00 34.32 C ATOM 1501 ND1 HIS A 90 13.268 -8.697 14.749 1.00 71.52 N ATOM 1502 CD2 HIS A 90 14.060 -6.839 13.923 1.00 20.53 C ATOM 1503 CE1 HIS A 90 14.570 -8.860 14.589 1.00 31.43 C ATOM 1504 NE2 HIS A 90 15.071 -7.749 14.090 1.00 34.32 N ATOM 0 H HIS A 90 9.946 -4.589 12.831 1.00 5.25 H new ATOM 0 HA HIS A 90 11.758 -5.835 12.568 1.00 42.13 H new ATOM 0 HB2 HIS A 90 11.479 -6.079 15.130 1.00 64.14 H new ATOM 0 HB3 HIS A 90 10.856 -7.681 14.790 1.00 64.14 H new ATOM 0 HD2 HIS A 90 14.158 -5.837 13.531 1.00 20.53 H new ATOM 0 HE1 HIS A 90 15.128 -9.753 14.827 1.00 31.43 H new ATOM 0 HE2 HIS A 90 16.053 -7.591 13.864 1.00 34.32 H new ATOM 1513 N ILE A 91 9.616 -7.354 11.300 1.00 71.04 N ATOM 1514 CA ILE A 91 9.206 -8.358 10.328 1.00 63.05 C ATOM 1515 C ILE A 91 10.291 -8.501 9.271 1.00 43.41 C ATOM 1516 O ILE A 91 10.838 -9.582 9.056 1.00 64.13 O ATOM 1517 CB ILE A 91 7.886 -7.958 9.640 1.00 41.23 C ATOM 1518 CG1 ILE A 91 6.842 -7.572 10.689 1.00 34.54 C ATOM 1519 CG2 ILE A 91 7.373 -9.099 8.766 1.00 61.44 C ATOM 1520 CD1 ILE A 91 5.634 -6.873 10.110 1.00 42.12 C ATOM 0 H ILE A 91 9.091 -6.481 11.249 1.00 71.04 H new ATOM 0 HA ILE A 91 9.053 -9.302 10.851 1.00 63.05 H new ATOM 0 HB ILE A 91 8.072 -7.095 9.000 1.00 41.23 H new ATOM 0 HG12 ILE A 91 6.515 -8.471 11.213 1.00 34.54 H new ATOM 0 HG13 ILE A 91 7.307 -6.922 11.431 1.00 34.54 H new ATOM 0 HG21 ILE A 91 6.440 -8.800 8.288 1.00 61.44 H new ATOM 0 HG22 ILE A 91 8.114 -9.333 8.002 1.00 61.44 H new ATOM 0 HG23 ILE A 91 7.198 -9.980 9.384 1.00 61.44 H new ATOM 0 HD11 ILE A 91 4.936 -6.629 10.911 1.00 42.12 H new ATOM 0 HD12 ILE A 91 5.948 -5.956 9.611 1.00 42.12 H new ATOM 0 HD13 ILE A 91 5.145 -7.529 9.390 1.00 42.12 H new ATOM 1532 N ILE A 92 10.591 -7.384 8.626 1.00 53.44 N ATOM 1533 CA ILE A 92 11.669 -7.300 7.658 1.00 55.21 C ATOM 1534 C ILE A 92 12.435 -6.008 7.898 1.00 31.55 C ATOM 1535 O ILE A 92 12.039 -5.209 8.743 1.00 55.32 O ATOM 1536 CB ILE A 92 11.152 -7.304 6.199 1.00 4.41 C ATOM 1537 CG1 ILE A 92 10.284 -6.069 5.935 1.00 71.11 C ATOM 1538 CG2 ILE A 92 10.366 -8.574 5.901 1.00 62.30 C ATOM 1539 CD1 ILE A 92 9.857 -5.930 4.491 1.00 43.44 C ATOM 0 H ILE A 92 10.089 -6.506 8.762 1.00 53.44 H new ATOM 0 HA ILE A 92 12.305 -8.175 7.789 1.00 55.21 H new ATOM 0 HB ILE A 92 12.016 -7.275 5.535 1.00 4.41 H new ATOM 0 HG12 ILE A 92 9.396 -6.117 6.565 1.00 71.11 H new ATOM 0 HG13 ILE A 92 10.836 -5.177 6.230 1.00 71.11 H new ATOM 0 HG21 ILE A 92 10.014 -8.551 4.870 1.00 62.30 H new ATOM 0 HG22 ILE A 92 11.009 -9.442 6.046 1.00 62.30 H new ATOM 0 HG23 ILE A 92 9.511 -8.639 6.574 1.00 62.30 H new ATOM 0 HD11 ILE A 92 9.246 -5.035 4.377 1.00 43.44 H new ATOM 0 HD12 ILE A 92 10.740 -5.850 3.857 1.00 43.44 H new ATOM 0 HD13 ILE A 92 9.277 -6.805 4.197 1.00 43.44 H new ATOM 1551 N GLU A 93 13.518 -5.801 7.172 1.00 20.45 N ATOM 1552 CA GLU A 93 14.251 -4.548 7.258 1.00 24.13 C ATOM 1553 C GLU A 93 14.547 -4.015 5.863 1.00 1.30 C ATOM 1554 O GLU A 93 15.547 -3.334 5.632 1.00 43.44 O ATOM 1555 CB GLU A 93 15.529 -4.734 8.073 1.00 15.10 C ATOM 1556 CG GLU A 93 15.258 -4.959 9.554 1.00 15.02 C ATOM 1557 CD GLU A 93 16.516 -5.190 10.362 1.00 71.22 C ATOM 1558 OE1 GLU A 93 17.232 -4.209 10.654 1.00 64.33 O ATOM 1559 OE2 GLU A 93 16.786 -6.356 10.725 1.00 35.22 O ATOM 0 H GLU A 93 13.909 -6.480 6.519 1.00 20.45 H new ATOM 0 HA GLU A 93 13.636 -3.810 7.773 1.00 24.13 H new ATOM 0 HB2 GLU A 93 16.086 -5.583 7.677 1.00 15.10 H new ATOM 0 HB3 GLU A 93 16.162 -3.854 7.954 1.00 15.10 H new ATOM 0 HG2 GLU A 93 14.730 -4.094 9.956 1.00 15.02 H new ATOM 0 HG3 GLU A 93 14.597 -5.818 9.669 1.00 15.02 H new ATOM 1566 N TYR A 94 13.638 -4.322 4.947 1.00 41.42 N ATOM 1567 CA TYR A 94 13.715 -3.854 3.573 1.00 10.43 C ATOM 1568 C TYR A 94 12.464 -3.034 3.266 1.00 52.44 C ATOM 1569 O TYR A 94 11.367 -3.398 3.681 1.00 4.34 O ATOM 1570 CB TYR A 94 13.826 -5.056 2.622 1.00 54.41 C ATOM 1571 CG TYR A 94 14.061 -4.695 1.169 1.00 14.13 C ATOM 1572 CD1 TYR A 94 15.349 -4.560 0.667 1.00 32.14 C ATOM 1573 CD2 TYR A 94 12.997 -4.502 0.298 1.00 70.21 C ATOM 1574 CE1 TYR A 94 15.568 -4.244 -0.662 1.00 14.32 C ATOM 1575 CE2 TYR A 94 13.208 -4.182 -1.029 1.00 43.30 C ATOM 1576 CZ TYR A 94 14.493 -4.056 -1.506 1.00 4.21 C ATOM 1577 OH TYR A 94 14.702 -3.741 -2.832 1.00 73.12 O ATOM 0 H TYR A 94 12.824 -4.905 5.139 1.00 41.42 H new ATOM 0 HA TYR A 94 14.597 -3.229 3.435 1.00 10.43 H new ATOM 0 HB2 TYR A 94 14.642 -5.695 2.960 1.00 54.41 H new ATOM 0 HB3 TYR A 94 12.911 -5.644 2.693 1.00 54.41 H new ATOM 0 HD1 TYR A 94 16.193 -4.704 1.325 1.00 32.14 H new ATOM 0 HD2 TYR A 94 11.986 -4.604 0.665 1.00 70.21 H new ATOM 0 HE1 TYR A 94 16.576 -4.145 -1.037 1.00 14.32 H new ATOM 0 HE2 TYR A 94 12.367 -4.031 -1.690 1.00 43.30 H new ATOM 0 HH TYR A 94 15.548 -4.135 -3.132 1.00 73.12 H new ATOM 1587 N ASN A 95 12.621 -1.925 2.564 1.00 1.11 N ATOM 1588 CA ASN A 95 11.488 -1.057 2.263 1.00 33.10 C ATOM 1589 C ASN A 95 11.266 -0.937 0.756 1.00 62.23 C ATOM 1590 O ASN A 95 11.782 -0.020 0.118 1.00 23.02 O ATOM 1591 CB ASN A 95 11.684 0.333 2.877 1.00 51.33 C ATOM 1592 CG ASN A 95 11.617 0.329 4.394 1.00 22.23 C ATOM 1593 OD1 ASN A 95 12.624 0.141 5.075 1.00 24.51 O ATOM 1594 ND2 ASN A 95 10.429 0.553 4.936 1.00 4.44 N ATOM 0 H ASN A 95 13.515 -1.603 2.192 1.00 1.11 H new ATOM 0 HA ASN A 95 10.602 -1.513 2.705 1.00 33.10 H new ATOM 0 HB2 ASN A 95 12.650 0.729 2.563 1.00 51.33 H new ATOM 0 HB3 ASN A 95 10.921 1.007 2.487 1.00 51.33 H new ATOM 0 HD21 ASN A 95 10.327 0.574 5.951 1.00 4.44 H new ATOM 0 HD22 ASN A 95 9.616 0.705 4.339 1.00 4.44 H new ATOM 1601 N PRO A 96 10.499 -1.875 0.165 1.00 43.11 N ATOM 1602 CA PRO A 96 10.248 -1.910 -1.284 1.00 11.30 C ATOM 1603 C PRO A 96 9.608 -0.622 -1.804 1.00 51.23 C ATOM 1604 O PRO A 96 9.952 -0.139 -2.881 1.00 74.44 O ATOM 1605 CB PRO A 96 9.279 -3.090 -1.460 1.00 63.32 C ATOM 1606 CG PRO A 96 9.471 -3.931 -0.248 1.00 53.43 C ATOM 1607 CD PRO A 96 9.815 -2.979 0.862 1.00 63.13 C ATOM 0 HA PRO A 96 11.177 -2.014 -1.845 1.00 11.30 H new ATOM 0 HB2 PRO A 96 8.248 -2.745 -1.542 1.00 63.32 H new ATOM 0 HB3 PRO A 96 9.501 -3.650 -2.368 1.00 63.32 H new ATOM 0 HG2 PRO A 96 8.566 -4.493 -0.015 1.00 53.43 H new ATOM 0 HG3 PRO A 96 10.268 -4.659 -0.400 1.00 53.43 H new ATOM 0 HD2 PRO A 96 8.924 -2.633 1.385 1.00 63.13 H new ATOM 0 HD3 PRO A 96 10.460 -3.446 1.606 1.00 63.13 H new ATOM 1615 N ALA A 97 8.692 -0.060 -1.025 1.00 10.40 N ATOM 1616 CA ALA A 97 7.956 1.127 -1.448 1.00 74.51 C ATOM 1617 C ALA A 97 8.728 2.411 -1.160 1.00 52.31 C ATOM 1618 O ALA A 97 8.342 3.485 -1.606 1.00 15.13 O ATOM 1619 CB ALA A 97 6.595 1.171 -0.775 1.00 1.24 C ATOM 0 H ALA A 97 8.441 -0.405 -0.099 1.00 10.40 H new ATOM 0 HA ALA A 97 7.822 1.060 -2.528 1.00 74.51 H new ATOM 0 HB1 ALA A 97 6.057 2.062 -1.100 1.00 1.24 H new ATOM 0 HB2 ALA A 97 6.025 0.283 -1.048 1.00 1.24 H new ATOM 0 HB3 ALA A 97 6.725 1.200 0.307 1.00 1.24 H new ATOM 1625 N ALA A 98 9.830 2.299 -0.424 1.00 0.12 N ATOM 1626 CA ALA A 98 10.634 3.471 -0.087 1.00 12.13 C ATOM 1627 C ALA A 98 11.481 3.903 -1.275 1.00 60.14 C ATOM 1628 O ALA A 98 12.006 5.018 -1.307 1.00 5.33 O ATOM 1629 CB ALA A 98 11.518 3.199 1.120 1.00 34.24 C ATOM 0 H ALA A 98 10.185 1.418 -0.052 1.00 0.12 H new ATOM 0 HA ALA A 98 9.951 4.282 0.166 1.00 12.13 H new ATOM 0 HB1 ALA A 98 12.105 4.088 1.349 1.00 34.24 H new ATOM 0 HB2 ALA A 98 10.895 2.945 1.978 1.00 34.24 H new ATOM 0 HB3 ALA A 98 12.188 2.368 0.900 1.00 34.24 H new ATOM 1635 N ALA A 99 11.606 3.012 -2.254 1.00 22.05 N ATOM 1636 CA ALA A 99 12.345 3.308 -3.471 1.00 60.00 C ATOM 1637 C ALA A 99 11.486 4.123 -4.430 1.00 20.14 C ATOM 1638 O ALA A 99 11.960 4.594 -5.465 1.00 63.13 O ATOM 1639 CB ALA A 99 12.814 2.023 -4.135 1.00 2.21 C ATOM 0 H ALA A 99 11.202 2.076 -2.225 1.00 22.05 H new ATOM 0 HA ALA A 99 13.223 3.898 -3.208 1.00 60.00 H new ATOM 0 HB1 ALA A 99 13.365 2.263 -5.044 1.00 2.21 H new ATOM 0 HB2 ALA A 99 13.463 1.476 -3.451 1.00 2.21 H new ATOM 0 HB3 ALA A 99 11.950 1.407 -4.386 1.00 2.21 H new ATOM 1645 N PHE A 100 10.218 4.281 -4.077 1.00 70.42 N ATOM 1646 CA PHE A 100 9.293 5.068 -4.869 1.00 65.43 C ATOM 1647 C PHE A 100 8.764 6.226 -4.035 1.00 0.42 C ATOM 1648 O PHE A 100 7.761 6.094 -3.334 1.00 64.54 O ATOM 1649 CB PHE A 100 8.126 4.207 -5.365 1.00 1.43 C ATOM 1650 CG PHE A 100 8.533 3.071 -6.261 1.00 73.53 C ATOM 1651 CD1 PHE A 100 8.946 1.860 -5.727 1.00 41.14 C ATOM 1652 CD2 PHE A 100 8.496 3.213 -7.638 1.00 53.20 C ATOM 1653 CE1 PHE A 100 9.315 0.815 -6.551 1.00 51.31 C ATOM 1654 CE2 PHE A 100 8.863 2.171 -8.466 1.00 23.11 C ATOM 1655 CZ PHE A 100 9.275 0.970 -7.922 1.00 61.24 C ATOM 0 H PHE A 100 9.807 3.869 -3.239 1.00 70.42 H new ATOM 0 HA PHE A 100 9.824 5.456 -5.738 1.00 65.43 H new ATOM 0 HB2 PHE A 100 7.596 3.802 -4.503 1.00 1.43 H new ATOM 0 HB3 PHE A 100 7.422 4.844 -5.902 1.00 1.43 H new ATOM 0 HD1 PHE A 100 8.980 1.733 -4.655 1.00 41.14 H new ATOM 0 HD2 PHE A 100 8.176 4.150 -8.069 1.00 53.20 H new ATOM 0 HE1 PHE A 100 9.635 -0.123 -6.123 1.00 51.31 H new ATOM 0 HE2 PHE A 100 8.828 2.295 -9.538 1.00 23.11 H new ATOM 0 HZ PHE A 100 9.565 0.154 -8.568 1.00 61.24 H new