USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 893 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 107 TYR OH : rot 180:sc= -0.193 USER MOD Set 1.2: A 111 CYS SG : rot 154:sc= 1.09 USER MOD Set 2.1: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 104 LYS NZ :NH3+ -136:sc= -1.01 (180deg=-2.32!) USER MOD Single : A 9 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.8!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -5.04! K(o=-5!,f=-2.1) USER MOD Single : A 15 GLN : amide:sc= -2.75! C(o=-2.8!,f=-4.4!) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.178 USER MOD Single : A 20 ASN : amide:sc= -3.61! C(o=-3.6!,f=-6.2!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 113:sc= 1.24 USER MOD Single : A 36 MET CE :methyl -133:sc= -2.54 (180deg=-5.64!) USER MOD Single : A 37 GLN : amide:sc= -4.01! C(o=-4!,f=-5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.0555 USER MOD Single : A 60 TYR OH : rot -170:sc= -3.01 USER MOD Single : A 61 ASN : amide:sc= -0.0952 K(o=-0.095,f=-3.5!) USER MOD Single : A 74 ASN : amide:sc= -0.196 K(o=-0.2,f=-1.8!) USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.426) USER MOD Single : A 76 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0629) USER MOD Single : A 79 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.35) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -2.02! C(o=-2!,f=-4.1!) USER MOD Single : A 102 TYR OH : rot 149:sc= 0.171 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 152:sc= -0.186 (180deg=-0.993) USER MOD Single : A 115 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.76) USER MOD Single : A 117 SER OG : rot -178:sc= -2.03! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 8 111.188 -12.917 14.389 1.00 0.00 N ATOM 79 CA GLU A 8 110.672 -13.477 13.110 1.00 0.00 C ATOM 80 C GLU A 8 111.452 -12.852 11.950 1.00 0.00 C ATOM 81 O GLU A 8 111.855 -13.529 11.030 1.00 0.00 O ATOM 82 CB GLU A 8 109.180 -13.152 12.974 1.00 0.00 C ATOM 83 CG GLU A 8 108.634 -13.730 11.663 1.00 0.00 C ATOM 84 CD GLU A 8 107.145 -13.399 11.540 1.00 0.00 C ATOM 85 OE1 GLU A 8 106.579 -12.930 12.514 1.00 0.00 O ATOM 86 OE2 GLU A 8 106.595 -13.622 10.473 1.00 0.00 O ATOM 0 HA GLU A 8 110.799 -14.559 13.096 1.00 0.00 H new ATOM 0 HB2 GLU A 8 108.631 -13.566 13.820 1.00 0.00 H new ATOM 0 HB3 GLU A 8 109.031 -12.072 12.995 1.00 0.00 H new ATOM 0 HG2 GLU A 8 109.181 -13.316 10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 8 108.780 -14.810 11.640 1.00 0.00 H new ATOM 93 N GLN A 9 111.685 -11.569 11.995 1.00 0.00 N ATOM 94 CA GLN A 9 112.454 -10.912 10.897 1.00 0.00 C ATOM 95 C GLN A 9 113.913 -11.371 10.963 1.00 0.00 C ATOM 96 O GLN A 9 114.595 -11.475 9.963 1.00 0.00 O ATOM 97 CB GLN A 9 112.414 -9.394 11.082 1.00 0.00 C ATOM 98 CG GLN A 9 111.004 -8.868 10.814 1.00 0.00 C ATOM 99 CD GLN A 9 110.928 -7.397 11.232 1.00 0.00 C ATOM 100 OE1 GLN A 9 111.782 -6.914 11.948 1.00 0.00 O ATOM 101 NE2 GLN A 9 109.935 -6.661 10.814 1.00 0.00 N ATOM 0 H GLN A 9 111.377 -10.947 12.743 1.00 0.00 H new ATOM 0 HA GLN A 9 112.014 -11.181 9.937 1.00 0.00 H new ATOM 0 HB2 GLN A 9 112.720 -9.135 12.096 1.00 0.00 H new ATOM 0 HB3 GLN A 9 113.123 -8.919 10.404 1.00 0.00 H new ATOM 0 HG2 GLN A 9 110.759 -8.971 9.757 1.00 0.00 H new ATOM 0 HG3 GLN A 9 110.272 -9.455 11.369 1.00 0.00 H new ATOM 0 HE21 GLN A 9 109.218 -7.066 10.213 1.00 0.00 H new ATOM 0 HE22 GLN A 9 109.876 -5.680 11.089 1.00 0.00 H new ATOM 110 N PHE A 10 114.398 -11.610 12.151 1.00 0.00 N ATOM 111 CA PHE A 10 115.820 -12.023 12.336 1.00 0.00 C ATOM 112 C PHE A 10 116.122 -13.344 11.615 1.00 0.00 C ATOM 113 O PHE A 10 117.070 -13.435 10.856 1.00 0.00 O ATOM 114 CB PHE A 10 116.061 -12.174 13.841 1.00 0.00 C ATOM 115 CG PHE A 10 117.479 -12.596 14.108 1.00 0.00 C ATOM 116 CD1 PHE A 10 118.489 -11.634 14.221 1.00 0.00 C ATOM 117 CD2 PHE A 10 117.781 -13.954 14.255 1.00 0.00 C ATOM 118 CE1 PHE A 10 119.805 -12.031 14.478 1.00 0.00 C ATOM 119 CE2 PHE A 10 119.098 -14.352 14.512 1.00 0.00 C ATOM 120 CZ PHE A 10 120.110 -13.391 14.623 1.00 0.00 C ATOM 0 H PHE A 10 113.861 -11.536 13.015 1.00 0.00 H new ATOM 0 HA PHE A 10 116.481 -11.270 11.907 1.00 0.00 H new ATOM 0 HB2 PHE A 10 115.856 -11.229 14.345 1.00 0.00 H new ATOM 0 HB3 PHE A 10 115.372 -12.911 14.253 1.00 0.00 H new ATOM 0 HD1 PHE A 10 118.252 -10.586 14.110 1.00 0.00 H new ATOM 0 HD2 PHE A 10 116.999 -14.694 14.170 1.00 0.00 H new ATOM 0 HE1 PHE A 10 120.586 -11.290 14.565 1.00 0.00 H new ATOM 0 HE2 PHE A 10 119.333 -15.400 14.625 1.00 0.00 H new ATOM 0 HZ PHE A 10 121.126 -13.698 14.821 1.00 0.00 H new ATOM 130 N LYS A 11 115.342 -14.366 11.824 1.00 0.00 N ATOM 131 CA LYS A 11 115.628 -15.649 11.122 1.00 0.00 C ATOM 132 C LYS A 11 115.475 -15.453 9.612 1.00 0.00 C ATOM 133 O LYS A 11 116.153 -16.083 8.826 1.00 0.00 O ATOM 134 CB LYS A 11 114.690 -16.749 11.625 1.00 0.00 C ATOM 135 CG LYS A 11 113.231 -16.318 11.459 1.00 0.00 C ATOM 136 CD LYS A 11 112.310 -17.504 11.774 1.00 0.00 C ATOM 137 CE LYS A 11 112.528 -17.969 13.219 1.00 0.00 C ATOM 138 NZ LYS A 11 111.338 -18.741 13.677 1.00 0.00 N ATOM 0 H LYS A 11 114.530 -14.371 12.441 1.00 0.00 H new ATOM 0 HA LYS A 11 116.652 -15.955 11.334 1.00 0.00 H new ATOM 0 HB2 LYS A 11 114.869 -17.671 11.072 1.00 0.00 H new ATOM 0 HB3 LYS A 11 114.897 -16.961 12.674 1.00 0.00 H new ATOM 0 HG2 LYS A 11 113.009 -15.484 12.125 1.00 0.00 H new ATOM 0 HG3 LYS A 11 113.057 -15.969 10.441 1.00 0.00 H new ATOM 0 HD2 LYS A 11 111.269 -17.215 11.630 1.00 0.00 H new ATOM 0 HD3 LYS A 11 112.511 -18.324 11.085 1.00 0.00 H new ATOM 0 HE2 LYS A 11 113.423 -18.588 13.282 1.00 0.00 H new ATOM 0 HE3 LYS A 11 112.689 -17.109 13.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 111.485 -19.057 14.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 110.493 -18.136 13.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 111.204 -19.570 13.063 1.00 0.00 H new ATOM 152 N GLN A 12 114.602 -14.575 9.200 1.00 0.00 N ATOM 153 CA GLN A 12 114.431 -14.337 7.740 1.00 0.00 C ATOM 154 C GLN A 12 115.742 -13.786 7.170 1.00 0.00 C ATOM 155 O GLN A 12 116.071 -13.990 6.021 1.00 0.00 O ATOM 156 CB GLN A 12 113.291 -13.345 7.509 1.00 0.00 C ATOM 157 CG GLN A 12 111.965 -14.024 7.858 1.00 0.00 C ATOM 158 CD GLN A 12 110.811 -13.046 7.645 1.00 0.00 C ATOM 159 OE1 GLN A 12 109.663 -13.444 7.594 1.00 0.00 O ATOM 160 NE2 GLN A 12 111.065 -11.772 7.522 1.00 0.00 N ATOM 0 H GLN A 12 114.003 -14.015 9.807 1.00 0.00 H new ATOM 0 HA GLN A 12 114.183 -15.272 7.236 1.00 0.00 H new ATOM 0 HB2 GLN A 12 113.433 -12.457 8.125 1.00 0.00 H new ATOM 0 HB3 GLN A 12 113.283 -13.015 6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 12 111.824 -14.908 7.236 1.00 0.00 H new ATOM 0 HG3 GLN A 12 111.981 -14.362 8.894 1.00 0.00 H new ATOM 0 HE21 GLN A 12 112.028 -11.437 7.565 1.00 0.00 H new ATOM 0 HE22 GLN A 12 110.301 -11.111 7.383 1.00 0.00 H new ATOM 169 N VAL A 13 116.503 -13.094 7.968 1.00 0.00 N ATOM 170 CA VAL A 13 117.798 -12.560 7.466 1.00 0.00 C ATOM 171 C VAL A 13 118.741 -13.737 7.219 1.00 0.00 C ATOM 172 O VAL A 13 119.483 -13.760 6.261 1.00 0.00 O ATOM 173 CB VAL A 13 118.408 -11.598 8.491 1.00 0.00 C ATOM 174 CG1 VAL A 13 119.842 -11.247 8.087 1.00 0.00 C ATOM 175 CG2 VAL A 13 117.574 -10.320 8.545 1.00 0.00 C ATOM 0 H VAL A 13 116.287 -12.876 8.941 1.00 0.00 H new ATOM 0 HA VAL A 13 117.639 -12.010 6.539 1.00 0.00 H new ATOM 0 HB VAL A 13 118.416 -12.076 9.470 1.00 0.00 H new ATOM 0 HG11 VAL A 13 120.269 -10.563 8.820 1.00 0.00 H new ATOM 0 HG12 VAL A 13 120.442 -12.156 8.047 1.00 0.00 H new ATOM 0 HG13 VAL A 13 119.838 -10.771 7.106 1.00 0.00 H new ATOM 0 HG21 VAL A 13 118.006 -9.634 9.274 1.00 0.00 H new ATOM 0 HG22 VAL A 13 117.567 -9.848 7.562 1.00 0.00 H new ATOM 0 HG23 VAL A 13 116.553 -10.564 8.838 1.00 0.00 H new ATOM 185 N ARG A 14 118.730 -14.718 8.075 1.00 0.00 N ATOM 186 CA ARG A 14 119.639 -15.875 7.855 1.00 0.00 C ATOM 187 C ARG A 14 119.383 -16.465 6.469 1.00 0.00 C ATOM 188 O ARG A 14 120.308 -16.707 5.718 1.00 0.00 O ATOM 189 CB ARG A 14 119.387 -16.940 8.926 1.00 0.00 C ATOM 190 CG ARG A 14 120.403 -18.072 8.767 1.00 0.00 C ATOM 191 CD ARG A 14 120.156 -19.137 9.836 1.00 0.00 C ATOM 192 NE ARG A 14 120.557 -18.602 11.167 1.00 0.00 N ATOM 193 CZ ARG A 14 121.811 -18.338 11.412 1.00 0.00 C ATOM 194 NH1 ARG A 14 122.750 -18.953 10.744 1.00 0.00 N ATOM 195 NH2 ARG A 14 122.128 -17.459 12.323 1.00 0.00 N ATOM 0 H ARG A 14 118.140 -14.770 8.906 1.00 0.00 H new ATOM 0 HA ARG A 14 120.675 -15.541 7.921 1.00 0.00 H new ATOM 0 HB2 ARG A 14 119.470 -16.499 9.919 1.00 0.00 H new ATOM 0 HB3 ARG A 14 118.374 -17.331 8.834 1.00 0.00 H new ATOM 0 HG2 ARG A 14 120.319 -18.513 7.774 1.00 0.00 H new ATOM 0 HG3 ARG A 14 121.416 -17.680 8.857 1.00 0.00 H new ATOM 0 HD2 ARG A 14 119.103 -19.420 9.847 1.00 0.00 H new ATOM 0 HD3 ARG A 14 120.726 -20.038 9.607 1.00 0.00 H new ATOM 0 HE ARG A 14 119.852 -18.442 11.886 1.00 0.00 H new ATOM 0 HH11 ARG A 14 122.503 -19.639 10.031 1.00 0.00 H new ATOM 0 HH12 ARG A 14 123.730 -18.747 10.935 1.00 0.00 H new ATOM 0 HH21 ARG A 14 121.395 -16.978 12.844 1.00 0.00 H new ATOM 0 HH22 ARG A 14 123.109 -17.253 12.514 1.00 0.00 H new ATOM 209 N GLN A 15 118.150 -16.701 6.104 1.00 0.00 N ATOM 210 CA GLN A 15 117.904 -17.273 4.755 1.00 0.00 C ATOM 211 C GLN A 15 118.379 -16.286 3.672 1.00 0.00 C ATOM 212 O GLN A 15 118.700 -16.693 2.572 1.00 0.00 O ATOM 213 CB GLN A 15 116.426 -17.652 4.571 1.00 0.00 C ATOM 214 CG GLN A 15 115.527 -16.499 4.954 1.00 0.00 C ATOM 215 CD GLN A 15 114.067 -16.951 4.863 1.00 0.00 C ATOM 216 OE1 GLN A 15 113.187 -16.323 5.415 1.00 0.00 O ATOM 217 NE2 GLN A 15 113.773 -18.027 4.185 1.00 0.00 N ATOM 0 H GLN A 15 117.320 -16.526 6.671 1.00 0.00 H new ATOM 0 HA GLN A 15 118.480 -18.193 4.654 1.00 0.00 H new ATOM 0 HB2 GLN A 15 116.244 -17.933 3.534 1.00 0.00 H new ATOM 0 HB3 GLN A 15 116.190 -18.523 5.183 1.00 0.00 H new ATOM 0 HG2 GLN A 15 115.755 -16.165 5.966 1.00 0.00 H new ATOM 0 HG3 GLN A 15 115.700 -15.651 4.292 1.00 0.00 H new ATOM 0 HE21 GLN A 15 114.512 -18.555 3.721 1.00 0.00 H new ATOM 0 HE22 GLN A 15 112.804 -18.340 4.119 1.00 0.00 H new ATOM 226 N LEU A 16 118.471 -15.000 3.960 1.00 0.00 N ATOM 227 CA LEU A 16 118.977 -14.066 2.900 1.00 0.00 C ATOM 228 C LEU A 16 120.442 -14.422 2.621 1.00 0.00 C ATOM 229 O LEU A 16 120.867 -14.502 1.486 1.00 0.00 O ATOM 230 CB LEU A 16 118.874 -12.582 3.346 1.00 0.00 C ATOM 231 CG LEU A 16 117.546 -11.958 2.883 1.00 0.00 C ATOM 232 CD1 LEU A 16 116.377 -12.574 3.649 1.00 0.00 C ATOM 233 CD2 LEU A 16 117.580 -10.446 3.139 1.00 0.00 C ATOM 0 H LEU A 16 118.226 -14.572 4.853 1.00 0.00 H new ATOM 0 HA LEU A 16 118.367 -14.178 2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 16 118.951 -12.519 4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 16 119.709 -12.016 2.934 1.00 0.00 H new ATOM 0 HG LEU A 16 117.414 -12.152 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 16 115.443 -12.124 3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 16 116.348 -13.648 3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 16 116.504 -12.390 4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 16 116.640 -10.000 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 16 117.718 -10.260 4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 16 118.405 -10.001 2.583 1.00 0.00 H new ATOM 245 N TYR A 17 121.212 -14.656 3.647 1.00 0.00 N ATOM 246 CA TYR A 17 122.637 -15.032 3.435 1.00 0.00 C ATOM 247 C TYR A 17 122.686 -16.372 2.693 1.00 0.00 C ATOM 248 O TYR A 17 123.509 -16.587 1.825 1.00 0.00 O ATOM 249 CB TYR A 17 123.344 -15.175 4.791 1.00 0.00 C ATOM 250 CG TYR A 17 123.713 -13.813 5.332 1.00 0.00 C ATOM 251 CD1 TYR A 17 124.923 -13.220 4.957 1.00 0.00 C ATOM 252 CD2 TYR A 17 122.852 -13.150 6.214 1.00 0.00 C ATOM 253 CE1 TYR A 17 125.275 -11.964 5.461 1.00 0.00 C ATOM 254 CE2 TYR A 17 123.204 -11.893 6.722 1.00 0.00 C ATOM 255 CZ TYR A 17 124.416 -11.301 6.346 1.00 0.00 C ATOM 256 OH TYR A 17 124.762 -10.061 6.847 1.00 0.00 O ATOM 0 H TYR A 17 120.916 -14.603 4.622 1.00 0.00 H new ATOM 0 HA TYR A 17 123.139 -14.260 2.851 1.00 0.00 H new ATOM 0 HB2 TYR A 17 122.693 -15.691 5.497 1.00 0.00 H new ATOM 0 HB3 TYR A 17 124.240 -15.785 4.680 1.00 0.00 H new ATOM 0 HD1 TYR A 17 125.587 -13.733 4.277 1.00 0.00 H new ATOM 0 HD2 TYR A 17 121.917 -13.607 6.503 1.00 0.00 H new ATOM 0 HE1 TYR A 17 126.208 -11.506 5.168 1.00 0.00 H new ATOM 0 HE2 TYR A 17 122.541 -11.381 7.403 1.00 0.00 H new ATOM 0 HH TYR A 17 124.055 -9.741 7.445 1.00 0.00 H new ATOM 266 N GLU A 18 121.814 -17.279 3.049 1.00 0.00 N ATOM 267 CA GLU A 18 121.808 -18.623 2.389 1.00 0.00 C ATOM 268 C GLU A 18 121.458 -18.502 0.900 1.00 0.00 C ATOM 269 O GLU A 18 121.534 -19.466 0.165 1.00 0.00 O ATOM 270 CB GLU A 18 120.772 -19.524 3.061 1.00 0.00 C ATOM 271 CG GLU A 18 121.134 -19.722 4.534 1.00 0.00 C ATOM 272 CD GLU A 18 122.388 -20.593 4.638 1.00 0.00 C ATOM 273 OE1 GLU A 18 122.556 -21.458 3.796 1.00 0.00 O ATOM 274 OE2 GLU A 18 123.158 -20.380 5.561 1.00 0.00 O ATOM 0 H GLU A 18 121.104 -17.149 3.769 1.00 0.00 H new ATOM 0 HA GLU A 18 122.805 -19.051 2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 18 119.781 -19.079 2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.732 -20.488 2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 18 121.308 -18.757 5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 18 120.306 -20.193 5.063 1.00 0.00 H new ATOM 281 N ILE A 19 121.065 -17.343 0.442 1.00 0.00 N ATOM 282 CA ILE A 19 120.707 -17.216 -1.004 1.00 0.00 C ATOM 283 C ILE A 19 121.854 -17.757 -1.859 1.00 0.00 C ATOM 284 O ILE A 19 121.631 -18.447 -2.831 1.00 0.00 O ATOM 285 CB ILE A 19 120.451 -15.744 -1.352 1.00 0.00 C ATOM 286 CG1 ILE A 19 119.149 -15.289 -0.687 1.00 0.00 C ATOM 287 CG2 ILE A 19 120.329 -15.577 -2.873 1.00 0.00 C ATOM 288 CD1 ILE A 19 119.048 -13.763 -0.752 1.00 0.00 C ATOM 0 H ILE A 19 120.977 -16.490 0.995 1.00 0.00 H new ATOM 0 HA ILE A 19 119.802 -17.789 -1.204 1.00 0.00 H new ATOM 0 HB ILE A 19 121.284 -15.140 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 19 118.294 -15.742 -1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 19 119.123 -15.622 0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 19 120.147 -14.529 -3.111 1.00 0.00 H new ATOM 0 HG22 ILE A 19 121.254 -15.902 -3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 19 119.499 -16.181 -3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 19 118.121 -13.439 -0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 19 119.896 -13.320 -0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 19 119.055 -13.442 -1.794 1.00 0.00 H new ATOM 300 N ASN A 20 123.075 -17.462 -1.502 1.00 0.00 N ATOM 301 CA ASN A 20 124.230 -17.966 -2.293 1.00 0.00 C ATOM 302 C ASN A 20 125.514 -17.749 -1.493 1.00 0.00 C ATOM 303 O ASN A 20 125.551 -16.996 -0.542 1.00 0.00 O ATOM 304 CB ASN A 20 124.330 -17.200 -3.624 1.00 0.00 C ATOM 305 CG ASN A 20 123.347 -17.779 -4.645 1.00 0.00 C ATOM 306 OD1 ASN A 20 123.066 -18.961 -4.633 1.00 0.00 O ATOM 307 ND2 ASN A 20 122.814 -16.990 -5.537 1.00 0.00 N ATOM 0 H ASN A 20 123.321 -16.891 -0.693 1.00 0.00 H new ATOM 0 HA ASN A 20 124.090 -19.027 -2.499 1.00 0.00 H new ATOM 0 HB2 ASN A 20 124.115 -16.144 -3.461 1.00 0.00 H new ATOM 0 HB3 ASN A 20 125.347 -17.262 -4.012 1.00 0.00 H new ATOM 0 HD21 ASN A 20 122.161 -17.365 -6.225 1.00 0.00 H new ATOM 0 HD22 ASN A 20 123.050 -15.998 -5.547 1.00 0.00 H new ATOM 314 N ASP A 21 126.569 -18.406 -1.884 1.00 0.00 N ATOM 315 CA ASP A 21 127.866 -18.252 -1.170 1.00 0.00 C ATOM 316 C ASP A 21 128.666 -17.142 -1.850 1.00 0.00 C ATOM 317 O ASP A 21 129.861 -17.021 -1.667 1.00 0.00 O ATOM 318 CB ASP A 21 128.644 -19.566 -1.257 1.00 0.00 C ATOM 319 CG ASP A 21 128.898 -19.906 -2.726 1.00 0.00 C ATOM 320 OD1 ASP A 21 128.124 -19.463 -3.559 1.00 0.00 O ATOM 321 OD2 ASP A 21 129.860 -20.607 -2.995 1.00 0.00 O ATOM 0 H ASP A 21 126.588 -19.049 -2.675 1.00 0.00 H new ATOM 0 HA ASP A 21 127.694 -18.000 -0.123 1.00 0.00 H new ATOM 0 HB2 ASP A 21 129.590 -19.478 -0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 21 128.081 -20.368 -0.778 1.00 0.00 H new ATOM 326 N ASP A 22 128.013 -16.340 -2.646 1.00 0.00 N ATOM 327 CA ASP A 22 128.733 -15.244 -3.354 1.00 0.00 C ATOM 328 C ASP A 22 129.405 -14.313 -2.318 1.00 0.00 C ATOM 329 O ASP A 22 128.728 -13.794 -1.451 1.00 0.00 O ATOM 330 CB ASP A 22 127.725 -14.432 -4.170 1.00 0.00 C ATOM 331 CG ASP A 22 126.983 -15.360 -5.133 1.00 0.00 C ATOM 332 OD1 ASP A 22 127.423 -16.486 -5.295 1.00 0.00 O ATOM 333 OD2 ASP A 22 125.988 -14.928 -5.690 1.00 0.00 O ATOM 0 H ASP A 22 127.013 -16.396 -2.837 1.00 0.00 H new ATOM 0 HA ASP A 22 129.492 -15.670 -4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 22 127.016 -13.938 -3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 22 128.239 -13.648 -4.727 1.00 0.00 H new ATOM 338 N PRO A 23 130.709 -14.076 -2.379 1.00 0.00 N ATOM 339 CA PRO A 23 131.351 -13.168 -1.384 1.00 0.00 C ATOM 340 C PRO A 23 130.785 -11.738 -1.448 1.00 0.00 C ATOM 341 O PRO A 23 130.624 -11.079 -0.441 1.00 0.00 O ATOM 342 CB PRO A 23 132.840 -13.192 -1.799 1.00 0.00 C ATOM 343 CG PRO A 23 132.997 -14.106 -3.032 1.00 0.00 C ATOM 344 CD PRO A 23 131.617 -14.680 -3.402 1.00 0.00 C ATOM 0 HA PRO A 23 131.177 -13.489 -0.357 1.00 0.00 H new ATOM 0 HB2 PRO A 23 133.184 -12.184 -2.030 1.00 0.00 H new ATOM 0 HB3 PRO A 23 133.455 -13.558 -0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 23 133.409 -13.543 -3.870 1.00 0.00 H new ATOM 0 HG3 PRO A 23 133.697 -14.914 -2.817 1.00 0.00 H new ATOM 0 HD2 PRO A 23 131.324 -14.402 -4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 23 131.608 -15.769 -3.355 1.00 0.00 H new ATOM 352 N LYS A 24 130.511 -11.249 -2.627 1.00 0.00 N ATOM 353 CA LYS A 24 129.988 -9.858 -2.758 1.00 0.00 C ATOM 354 C LYS A 24 128.665 -9.706 -1.999 1.00 0.00 C ATOM 355 O LYS A 24 128.493 -8.790 -1.219 1.00 0.00 O ATOM 356 CB LYS A 24 129.771 -9.542 -4.240 1.00 0.00 C ATOM 357 CG LYS A 24 129.436 -8.058 -4.402 1.00 0.00 C ATOM 358 CD LYS A 24 129.231 -7.736 -5.884 1.00 0.00 C ATOM 359 CE LYS A 24 129.105 -6.221 -6.061 1.00 0.00 C ATOM 360 NZ LYS A 24 128.561 -5.921 -7.416 1.00 0.00 N ATOM 0 H LYS A 24 130.627 -11.753 -3.506 1.00 0.00 H new ATOM 0 HA LYS A 24 130.712 -9.164 -2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 24 130.667 -9.788 -4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 24 128.962 -10.154 -4.639 1.00 0.00 H new ATOM 0 HG2 LYS A 24 128.535 -7.815 -3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 24 130.241 -7.447 -3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 24 130.070 -8.113 -6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 24 128.334 -8.233 -6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 24 128.449 -5.808 -5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 24 130.079 -5.748 -5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 128.476 -4.891 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 129.203 -6.302 -8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 127.624 -6.360 -7.519 1.00 0.00 H new ATOM 374 N ARG A 25 127.729 -10.589 -2.215 1.00 0.00 N ATOM 375 CA ARG A 25 126.425 -10.478 -1.496 1.00 0.00 C ATOM 376 C ARG A 25 126.647 -10.618 0.011 1.00 0.00 C ATOM 377 O ARG A 25 126.121 -9.857 0.799 1.00 0.00 O ATOM 378 CB ARG A 25 125.484 -11.580 -1.992 1.00 0.00 C ATOM 379 CG ARG A 25 124.142 -11.514 -1.253 1.00 0.00 C ATOM 380 CD ARG A 25 123.226 -12.625 -1.768 1.00 0.00 C ATOM 381 NE ARG A 25 122.845 -12.340 -3.182 1.00 0.00 N ATOM 382 CZ ARG A 25 121.828 -11.565 -3.444 1.00 0.00 C ATOM 383 NH1 ARG A 25 121.395 -10.729 -2.540 1.00 0.00 N ATOM 384 NH2 ARG A 25 121.244 -11.627 -4.609 1.00 0.00 N ATOM 0 H ARG A 25 127.808 -11.379 -2.855 1.00 0.00 H new ATOM 0 HA ARG A 25 125.980 -9.503 -1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.321 -11.472 -3.064 1.00 0.00 H new ATOM 0 HB3 ARG A 25 125.944 -12.556 -1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 25 124.299 -11.624 -0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 25 123.676 -10.541 -1.408 1.00 0.00 H new ATOM 0 HD2 ARG A 25 123.733 -13.588 -1.704 1.00 0.00 H new ATOM 0 HD3 ARG A 25 122.333 -12.693 -1.146 1.00 0.00 H new ATOM 0 HE ARG A 25 123.381 -12.752 -3.946 1.00 0.00 H new ATOM 0 HH11 ARG A 25 121.851 -10.681 -1.629 1.00 0.00 H new ATOM 0 HH12 ARG A 25 120.600 -10.123 -2.745 1.00 0.00 H new ATOM 0 HH21 ARG A 25 121.582 -12.281 -5.315 1.00 0.00 H new ATOM 0 HH22 ARG A 25 120.449 -11.021 -4.814 1.00 0.00 H new ATOM 398 N LYS A 26 127.414 -11.589 0.421 1.00 0.00 N ATOM 399 CA LYS A 26 127.660 -11.781 1.877 1.00 0.00 C ATOM 400 C LYS A 26 128.315 -10.526 2.453 1.00 0.00 C ATOM 401 O LYS A 26 127.916 -10.022 3.486 1.00 0.00 O ATOM 402 CB LYS A 26 128.590 -12.983 2.072 1.00 0.00 C ATOM 403 CG LYS A 26 128.824 -13.229 3.566 1.00 0.00 C ATOM 404 CD LYS A 26 129.753 -14.431 3.742 1.00 0.00 C ATOM 405 CE LYS A 26 129.840 -14.800 5.224 1.00 0.00 C ATOM 406 NZ LYS A 26 130.503 -16.127 5.363 1.00 0.00 N ATOM 0 H LYS A 26 127.882 -12.259 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 26 126.716 -11.961 2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 26 128.152 -13.870 1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 26 129.541 -12.802 1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 26 129.264 -12.345 4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 26 127.875 -13.412 4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 26 129.380 -15.279 3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 26 130.745 -14.196 3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 26 130.403 -14.041 5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 26 128.842 -14.831 5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 130.564 -16.381 6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 129.948 -16.847 4.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 131.460 -16.081 4.959 1.00 0.00 H new ATOM 420 N GLU A 27 129.321 -10.023 1.799 1.00 0.00 N ATOM 421 CA GLU A 27 130.010 -8.807 2.310 1.00 0.00 C ATOM 422 C GLU A 27 129.020 -7.640 2.389 1.00 0.00 C ATOM 423 O GLU A 27 129.000 -6.903 3.354 1.00 0.00 O ATOM 424 CB GLU A 27 131.169 -8.449 1.371 1.00 0.00 C ATOM 425 CG GLU A 27 131.907 -7.219 1.906 1.00 0.00 C ATOM 426 CD GLU A 27 133.105 -6.909 1.006 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.413 -7.733 0.160 1.00 0.00 O ATOM 428 OE2 GLU A 27 133.695 -5.855 1.178 1.00 0.00 O ATOM 0 H GLU A 27 129.698 -10.402 0.930 1.00 0.00 H new ATOM 0 HA GLU A 27 130.400 -9.003 3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 27 131.857 -9.291 1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 27 130.789 -8.250 0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 27 131.233 -6.363 1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 27 132.243 -7.399 2.927 1.00 0.00 H new ATOM 435 N PHE A 28 128.203 -7.454 1.384 1.00 0.00 N ATOM 436 CA PHE A 28 127.233 -6.320 1.428 1.00 0.00 C ATOM 437 C PHE A 28 126.299 -6.466 2.636 1.00 0.00 C ATOM 438 O PHE A 28 126.135 -5.546 3.414 1.00 0.00 O ATOM 439 CB PHE A 28 126.394 -6.294 0.143 1.00 0.00 C ATOM 440 CG PHE A 28 125.288 -5.275 0.301 1.00 0.00 C ATOM 441 CD1 PHE A 28 124.069 -5.663 0.863 1.00 0.00 C ATOM 442 CD2 PHE A 28 125.490 -3.944 -0.079 1.00 0.00 C ATOM 443 CE1 PHE A 28 123.048 -4.729 1.042 1.00 0.00 C ATOM 444 CE2 PHE A 28 124.469 -3.004 0.103 1.00 0.00 C ATOM 445 CZ PHE A 28 123.248 -3.398 0.663 1.00 0.00 C ATOM 0 H PHE A 28 128.165 -8.031 0.544 1.00 0.00 H new ATOM 0 HA PHE A 28 127.794 -5.390 1.516 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.021 -6.040 -0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 28 125.973 -7.280 -0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 28 123.916 -6.690 1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.432 -3.642 -0.512 1.00 0.00 H new ATOM 0 HE1 PHE A 28 122.105 -5.033 1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.623 -1.976 -0.188 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.460 -2.673 0.802 1.00 0.00 H new ATOM 455 N LEU A 29 125.681 -7.603 2.798 1.00 0.00 N ATOM 456 CA LEU A 29 124.759 -7.777 3.954 1.00 0.00 C ATOM 457 C LEU A 29 125.552 -7.576 5.241 1.00 0.00 C ATOM 458 O LEU A 29 125.117 -6.910 6.158 1.00 0.00 O ATOM 459 CB LEU A 29 124.161 -9.189 3.937 1.00 0.00 C ATOM 460 CG LEU A 29 123.205 -9.354 2.739 1.00 0.00 C ATOM 461 CD1 LEU A 29 123.040 -10.840 2.414 1.00 0.00 C ATOM 462 CD2 LEU A 29 121.823 -8.763 3.070 1.00 0.00 C ATOM 0 H LEU A 29 125.773 -8.413 2.185 1.00 0.00 H new ATOM 0 HA LEU A 29 123.949 -7.050 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 29 124.960 -9.928 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 29 123.624 -9.374 4.867 1.00 0.00 H new ATOM 0 HG LEU A 29 123.628 -8.827 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 29 122.364 -10.954 1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 29 124.011 -11.268 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 29 122.628 -11.358 3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.160 -8.887 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.403 -9.280 3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 29 121.926 -7.702 3.298 1.00 0.00 H new ATOM 474 N ASP A 30 126.719 -8.141 5.313 1.00 0.00 N ATOM 475 CA ASP A 30 127.543 -7.976 6.535 1.00 0.00 C ATOM 476 C ASP A 30 127.826 -6.487 6.749 1.00 0.00 C ATOM 477 O ASP A 30 127.814 -5.998 7.857 1.00 0.00 O ATOM 478 CB ASP A 30 128.863 -8.732 6.360 1.00 0.00 C ATOM 479 CG ASP A 30 129.707 -8.602 7.631 1.00 0.00 C ATOM 480 OD1 ASP A 30 129.437 -7.703 8.411 1.00 0.00 O ATOM 481 OD2 ASP A 30 130.606 -9.407 7.803 1.00 0.00 O ATOM 0 H ASP A 30 127.138 -8.710 4.578 1.00 0.00 H new ATOM 0 HA ASP A 30 127.011 -8.374 7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 30 128.666 -9.783 6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 30 129.411 -8.333 5.506 1.00 0.00 H new ATOM 486 N ASP A 31 128.094 -5.768 5.692 1.00 0.00 N ATOM 487 CA ASP A 31 128.397 -4.313 5.833 1.00 0.00 C ATOM 488 C ASP A 31 127.124 -3.516 6.153 1.00 0.00 C ATOM 489 O ASP A 31 127.084 -2.758 7.102 1.00 0.00 O ATOM 490 CB ASP A 31 128.997 -3.798 4.524 1.00 0.00 C ATOM 491 CG ASP A 31 130.361 -4.455 4.295 1.00 0.00 C ATOM 492 OD1 ASP A 31 130.905 -4.992 5.246 1.00 0.00 O ATOM 493 OD2 ASP A 31 130.833 -4.416 3.171 1.00 0.00 O ATOM 0 H ASP A 31 128.116 -6.125 4.737 1.00 0.00 H new ATOM 0 HA ASP A 31 129.103 -4.182 6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 31 128.329 -4.022 3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 31 129.105 -2.714 4.563 1.00 0.00 H new ATOM 498 N LEU A 32 126.086 -3.666 5.369 1.00 0.00 N ATOM 499 CA LEU A 32 124.834 -2.895 5.642 1.00 0.00 C ATOM 500 C LEU A 32 124.289 -3.238 7.024 1.00 0.00 C ATOM 501 O LEU A 32 124.059 -2.366 7.833 1.00 0.00 O ATOM 502 CB LEU A 32 123.792 -3.219 4.558 1.00 0.00 C ATOM 503 CG LEU A 32 122.414 -2.665 4.944 1.00 0.00 C ATOM 504 CD1 LEU A 32 122.515 -1.174 5.273 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.469 -2.855 3.764 1.00 0.00 C ATOM 0 H LEU A 32 126.050 -4.284 4.558 1.00 0.00 H new ATOM 0 HA LEU A 32 125.056 -1.828 5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.107 -2.792 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.729 -4.298 4.419 1.00 0.00 H new ATOM 0 HG LEU A 32 122.042 -3.194 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 32 121.530 -0.794 5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.202 -1.031 6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.884 -0.633 4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.484 -2.466 4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 32 121.856 -2.319 2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.390 -3.916 3.528 1.00 0.00 H new ATOM 517 N PHE A 33 124.093 -4.489 7.319 1.00 0.00 N ATOM 518 CA PHE A 33 123.574 -4.834 8.669 1.00 0.00 C ATOM 519 C PHE A 33 124.563 -4.328 9.724 1.00 0.00 C ATOM 520 O PHE A 33 124.170 -3.830 10.756 1.00 0.00 O ATOM 521 CB PHE A 33 123.375 -6.352 8.803 1.00 0.00 C ATOM 522 CG PHE A 33 122.063 -6.762 8.157 1.00 0.00 C ATOM 523 CD1 PHE A 33 121.960 -6.846 6.763 1.00 0.00 C ATOM 524 CD2 PHE A 33 120.947 -7.071 8.957 1.00 0.00 C ATOM 525 CE1 PHE A 33 120.757 -7.239 6.169 1.00 0.00 C ATOM 526 CE2 PHE A 33 119.744 -7.459 8.358 1.00 0.00 C ATOM 527 CZ PHE A 33 119.650 -7.547 6.965 1.00 0.00 C ATOM 0 H PHE A 33 124.266 -5.278 6.696 1.00 0.00 H new ATOM 0 HA PHE A 33 122.605 -4.357 8.817 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.203 -6.879 8.330 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.376 -6.636 9.855 1.00 0.00 H new ATOM 0 HD1 PHE A 33 122.813 -6.606 6.145 1.00 0.00 H new ATOM 0 HD2 PHE A 33 121.019 -7.009 10.033 1.00 0.00 H new ATOM 0 HE1 PHE A 33 120.683 -7.305 5.094 1.00 0.00 H new ATOM 0 HE2 PHE A 33 118.886 -7.691 8.972 1.00 0.00 H new ATOM 0 HZ PHE A 33 118.722 -7.853 6.505 1.00 0.00 H new ATOM 537 N SER A 34 125.843 -4.453 9.472 1.00 0.00 N ATOM 538 CA SER A 34 126.863 -3.994 10.469 1.00 0.00 C ATOM 539 C SER A 34 126.663 -2.513 10.827 1.00 0.00 C ATOM 540 O SER A 34 126.639 -2.150 11.983 1.00 0.00 O ATOM 541 CB SER A 34 128.266 -4.189 9.886 1.00 0.00 C ATOM 542 OG SER A 34 128.635 -5.557 10.001 1.00 0.00 O ATOM 0 H SER A 34 126.227 -4.854 8.617 1.00 0.00 H new ATOM 0 HA SER A 34 126.746 -4.586 11.377 1.00 0.00 H new ATOM 0 HB2 SER A 34 128.284 -3.882 8.840 1.00 0.00 H new ATOM 0 HB3 SER A 34 128.983 -3.561 10.415 1.00 0.00 H new ATOM 0 HG SER A 34 128.693 -5.956 9.108 1.00 0.00 H new ATOM 548 N PHE A 35 126.536 -1.644 9.867 1.00 0.00 N ATOM 549 CA PHE A 35 126.353 -0.206 10.220 1.00 0.00 C ATOM 550 C PHE A 35 125.116 -0.054 11.110 1.00 0.00 C ATOM 551 O PHE A 35 125.190 0.440 12.218 1.00 0.00 O ATOM 552 CB PHE A 35 126.171 0.610 8.939 1.00 0.00 C ATOM 553 CG PHE A 35 126.180 2.083 9.270 1.00 0.00 C ATOM 554 CD1 PHE A 35 124.987 2.728 9.617 1.00 0.00 C ATOM 555 CD2 PHE A 35 127.380 2.801 9.231 1.00 0.00 C ATOM 556 CE1 PHE A 35 124.996 4.095 9.925 1.00 0.00 C ATOM 557 CE2 PHE A 35 127.390 4.166 9.539 1.00 0.00 C ATOM 558 CZ PHE A 35 126.198 4.813 9.886 1.00 0.00 C ATOM 0 H PHE A 35 126.550 -1.858 8.870 1.00 0.00 H new ATOM 0 HA PHE A 35 127.230 0.155 10.757 1.00 0.00 H new ATOM 0 HB2 PHE A 35 126.970 0.381 8.234 1.00 0.00 H new ATOM 0 HB3 PHE A 35 125.232 0.342 8.455 1.00 0.00 H new ATOM 0 HD1 PHE A 35 124.061 2.173 9.647 1.00 0.00 H new ATOM 0 HD2 PHE A 35 128.299 2.301 8.963 1.00 0.00 H new ATOM 0 HE1 PHE A 35 124.077 4.595 10.192 1.00 0.00 H new ATOM 0 HE2 PHE A 35 128.317 4.720 9.509 1.00 0.00 H new ATOM 0 HZ PHE A 35 126.205 5.866 10.124 1.00 0.00 H new ATOM 568 N MET A 36 123.982 -0.482 10.632 1.00 0.00 N ATOM 569 CA MET A 36 122.724 -0.376 11.442 1.00 0.00 C ATOM 570 C MET A 36 122.756 -1.352 12.633 1.00 0.00 C ATOM 571 O MET A 36 121.941 -1.268 13.530 1.00 0.00 O ATOM 572 CB MET A 36 121.518 -0.690 10.551 1.00 0.00 C ATOM 573 CG MET A 36 121.687 -2.071 9.904 1.00 0.00 C ATOM 574 SD MET A 36 121.013 -3.339 11.007 1.00 0.00 S ATOM 575 CE MET A 36 119.268 -3.138 10.562 1.00 0.00 C ATOM 0 H MET A 36 123.866 -0.904 9.711 1.00 0.00 H new ATOM 0 HA MET A 36 122.643 0.639 11.831 1.00 0.00 H new ATOM 0 HB2 MET A 36 120.603 -0.666 11.143 1.00 0.00 H new ATOM 0 HB3 MET A 36 121.418 0.073 9.779 1.00 0.00 H new ATOM 0 HG2 MET A 36 121.174 -2.100 8.943 1.00 0.00 H new ATOM 0 HG3 MET A 36 122.741 -2.267 9.709 1.00 0.00 H new ATOM 0 HE1 MET A 36 118.665 -3.089 11.468 1.00 0.00 H new ATOM 0 HE2 MET A 36 119.142 -2.218 9.992 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.947 -3.986 9.958 1.00 0.00 H new ATOM 585 N GLN A 37 123.672 -2.284 12.643 1.00 0.00 N ATOM 586 CA GLN A 37 123.736 -3.274 13.771 1.00 0.00 C ATOM 587 C GLN A 37 123.794 -2.532 15.106 1.00 0.00 C ATOM 588 O GLN A 37 123.663 -3.125 16.157 1.00 0.00 O ATOM 589 CB GLN A 37 124.981 -4.170 13.625 1.00 0.00 C ATOM 590 CG GLN A 37 125.071 -5.178 14.785 1.00 0.00 C ATOM 591 CD GLN A 37 125.803 -4.552 15.979 1.00 0.00 C ATOM 592 OE1 GLN A 37 126.736 -3.794 15.804 1.00 0.00 O ATOM 593 NE2 GLN A 37 125.412 -4.839 17.190 1.00 0.00 N ATOM 0 H GLN A 37 124.381 -2.407 11.921 1.00 0.00 H new ATOM 0 HA GLN A 37 122.844 -3.899 13.740 1.00 0.00 H new ATOM 0 HB2 GLN A 37 124.940 -4.704 12.676 1.00 0.00 H new ATOM 0 HB3 GLN A 37 125.879 -3.552 13.604 1.00 0.00 H new ATOM 0 HG2 GLN A 37 124.070 -5.488 15.085 1.00 0.00 H new ATOM 0 HG3 GLN A 37 125.597 -6.075 14.457 1.00 0.00 H new ATOM 0 HE21 GLN A 37 124.628 -5.476 17.336 1.00 0.00 H new ATOM 0 HE22 GLN A 37 125.890 -4.427 17.991 1.00 0.00 H new ATOM 602 N LYS A 38 123.989 -1.239 15.080 1.00 0.00 N ATOM 603 CA LYS A 38 124.063 -0.473 16.360 1.00 0.00 C ATOM 604 C LYS A 38 122.915 -0.908 17.279 1.00 0.00 C ATOM 605 O LYS A 38 123.131 -1.259 18.423 1.00 0.00 O ATOM 606 CB LYS A 38 123.934 1.025 16.055 1.00 0.00 C ATOM 607 CG LYS A 38 124.191 1.859 17.332 1.00 0.00 C ATOM 608 CD LYS A 38 125.694 2.172 17.473 1.00 0.00 C ATOM 609 CE LYS A 38 126.036 3.447 16.697 1.00 0.00 C ATOM 610 NZ LYS A 38 127.495 3.720 16.804 1.00 0.00 N ATOM 0 H LYS A 38 124.100 -0.683 14.232 1.00 0.00 H new ATOM 0 HA LYS A 38 125.016 -0.667 16.853 1.00 0.00 H new ATOM 0 HB2 LYS A 38 124.646 1.307 15.279 1.00 0.00 H new ATOM 0 HB3 LYS A 38 122.938 1.239 15.667 1.00 0.00 H new ATOM 0 HG2 LYS A 38 123.622 2.788 17.289 1.00 0.00 H new ATOM 0 HG3 LYS A 38 123.843 1.312 18.208 1.00 0.00 H new ATOM 0 HD2 LYS A 38 125.951 2.296 18.525 1.00 0.00 H new ATOM 0 HD3 LYS A 38 126.285 1.337 17.097 1.00 0.00 H new ATOM 0 HE2 LYS A 38 125.752 3.335 15.650 1.00 0.00 H new ATOM 0 HE3 LYS A 38 125.468 4.289 17.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 127.726 4.586 16.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 127.752 3.845 17.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 128.028 2.920 16.406 1.00 0.00 H new ATOM 624 N ARG A 39 121.707 -0.924 16.791 1.00 0.00 N ATOM 625 CA ARG A 39 120.582 -1.379 17.651 1.00 0.00 C ATOM 626 C ARG A 39 120.722 -2.887 17.876 1.00 0.00 C ATOM 627 O ARG A 39 120.415 -3.399 18.933 1.00 0.00 O ATOM 628 CB ARG A 39 119.241 -1.053 16.989 1.00 0.00 C ATOM 629 CG ARG A 39 119.034 0.464 17.015 1.00 0.00 C ATOM 630 CD ARG A 39 117.700 0.824 16.360 1.00 0.00 C ATOM 631 NE ARG A 39 117.489 2.300 16.471 1.00 0.00 N ATOM 632 CZ ARG A 39 116.945 2.971 15.489 1.00 0.00 C ATOM 633 NH1 ARG A 39 115.650 3.123 15.441 1.00 0.00 N ATOM 634 NH2 ARG A 39 117.698 3.492 14.560 1.00 0.00 N ATOM 0 H ARG A 39 121.452 -0.645 15.844 1.00 0.00 H new ATOM 0 HA ARG A 39 120.613 -0.862 18.610 1.00 0.00 H new ATOM 0 HB2 ARG A 39 119.228 -1.418 15.962 1.00 0.00 H new ATOM 0 HB3 ARG A 39 118.429 -1.554 17.515 1.00 0.00 H new ATOM 0 HG2 ARG A 39 119.052 0.824 18.044 1.00 0.00 H new ATOM 0 HG3 ARG A 39 119.851 0.959 16.490 1.00 0.00 H new ATOM 0 HD2 ARG A 39 117.700 0.521 15.313 1.00 0.00 H new ATOM 0 HD3 ARG A 39 116.885 0.289 16.847 1.00 0.00 H new ATOM 0 HE ARG A 39 117.772 2.788 17.321 1.00 0.00 H new ATOM 0 HH11 ARG A 39 115.062 2.718 16.169 1.00 0.00 H new ATOM 0 HH12 ARG A 39 115.226 3.646 14.675 1.00 0.00 H new ATOM 0 HH21 ARG A 39 118.711 3.376 14.600 1.00 0.00 H new ATOM 0 HH22 ARG A 39 117.274 4.015 13.794 1.00 0.00 H new ATOM 648 N GLY A 40 121.212 -3.599 16.890 1.00 0.00 N ATOM 649 CA GLY A 40 121.405 -5.075 17.041 1.00 0.00 C ATOM 650 C GLY A 40 120.215 -5.836 16.455 1.00 0.00 C ATOM 651 O GLY A 40 120.170 -7.048 16.510 1.00 0.00 O ATOM 0 H GLY A 40 121.487 -3.220 15.984 1.00 0.00 H new ATOM 0 HA2 GLY A 40 122.322 -5.381 16.538 1.00 0.00 H new ATOM 0 HA3 GLY A 40 121.521 -5.326 18.095 1.00 0.00 H new ATOM 655 N THR A 41 119.248 -5.138 15.908 1.00 0.00 N ATOM 656 CA THR A 41 118.043 -5.820 15.328 1.00 0.00 C ATOM 657 C THR A 41 118.015 -5.653 13.797 1.00 0.00 C ATOM 658 O THR A 41 118.614 -4.743 13.259 1.00 0.00 O ATOM 659 CB THR A 41 116.785 -5.191 15.962 1.00 0.00 C ATOM 660 OG1 THR A 41 117.076 -3.848 16.321 1.00 0.00 O ATOM 661 CG2 THR A 41 116.389 -5.976 17.218 1.00 0.00 C ATOM 0 H THR A 41 119.240 -4.120 15.837 1.00 0.00 H new ATOM 0 HA THR A 41 118.077 -6.888 15.544 1.00 0.00 H new ATOM 0 HB THR A 41 115.962 -5.219 15.248 1.00 0.00 H new ATOM 0 HG1 THR A 41 116.282 -3.438 16.724 1.00 0.00 H new ATOM 0 HG21 THR A 41 115.500 -5.528 17.662 1.00 0.00 H new ATOM 0 HG22 THR A 41 116.178 -7.011 16.949 1.00 0.00 H new ATOM 0 HG23 THR A 41 117.207 -5.948 17.938 1.00 0.00 H new ATOM 669 N PRO A 42 117.321 -6.533 13.096 1.00 0.00 N ATOM 670 CA PRO A 42 117.235 -6.453 11.610 1.00 0.00 C ATOM 671 C PRO A 42 116.804 -5.067 11.110 1.00 0.00 C ATOM 672 O PRO A 42 116.566 -4.156 11.878 1.00 0.00 O ATOM 673 CB PRO A 42 116.153 -7.509 11.277 1.00 0.00 C ATOM 674 CG PRO A 42 115.650 -8.125 12.596 1.00 0.00 C ATOM 675 CD PRO A 42 116.582 -7.671 13.723 1.00 0.00 C ATOM 0 HA PRO A 42 118.199 -6.628 11.133 1.00 0.00 H new ATOM 0 HB2 PRO A 42 115.327 -7.048 10.735 1.00 0.00 H new ATOM 0 HB3 PRO A 42 116.566 -8.283 10.630 1.00 0.00 H new ATOM 0 HG2 PRO A 42 114.627 -7.808 12.798 1.00 0.00 H new ATOM 0 HG3 PRO A 42 115.639 -9.213 12.527 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.026 -7.356 14.606 1.00 0.00 H new ATOM 0 HD3 PRO A 42 117.256 -8.468 14.038 1.00 0.00 H new ATOM 683 N ILE A 43 116.676 -4.929 9.820 1.00 0.00 N ATOM 684 CA ILE A 43 116.233 -3.636 9.235 1.00 0.00 C ATOM 685 C ILE A 43 114.817 -3.341 9.741 1.00 0.00 C ATOM 686 O ILE A 43 114.483 -3.655 10.866 1.00 0.00 O ATOM 687 CB ILE A 43 116.264 -3.765 7.696 1.00 0.00 C ATOM 688 CG1 ILE A 43 116.162 -2.357 7.023 1.00 0.00 C ATOM 689 CG2 ILE A 43 115.112 -4.682 7.216 1.00 0.00 C ATOM 690 CD1 ILE A 43 117.440 -2.053 6.226 1.00 0.00 C ATOM 0 H ILE A 43 116.862 -5.666 9.140 1.00 0.00 H new ATOM 0 HA ILE A 43 116.887 -2.815 9.529 1.00 0.00 H new ATOM 0 HB ILE A 43 117.213 -4.213 7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 43 115.296 -2.325 6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 43 116.010 -1.592 7.785 1.00 0.00 H new ATOM 0 HG21 ILE A 43 115.143 -4.766 6.130 1.00 0.00 H new ATOM 0 HG22 ILE A 43 115.225 -5.671 7.660 1.00 0.00 H new ATOM 0 HG23 ILE A 43 114.156 -4.255 7.520 1.00 0.00 H new ATOM 0 HD11 ILE A 43 117.355 -1.070 5.763 1.00 0.00 H new ATOM 0 HD12 ILE A 43 118.299 -2.065 6.897 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.574 -2.808 5.452 1.00 0.00 H new ATOM 702 N ASN A 44 113.976 -2.761 8.936 1.00 0.00 N ATOM 703 CA ASN A 44 112.589 -2.478 9.406 1.00 0.00 C ATOM 704 C ASN A 44 111.771 -3.764 9.284 1.00 0.00 C ATOM 705 O ASN A 44 111.069 -4.158 10.193 1.00 0.00 O ATOM 706 CB ASN A 44 111.959 -1.395 8.532 1.00 0.00 C ATOM 707 CG ASN A 44 110.645 -0.926 9.160 1.00 0.00 C ATOM 708 OD1 ASN A 44 109.579 -1.291 8.708 1.00 0.00 O ATOM 709 ND2 ASN A 44 110.676 -0.123 10.189 1.00 0.00 N ATOM 0 H ASN A 44 114.183 -2.471 7.980 1.00 0.00 H new ATOM 0 HA ASN A 44 112.608 -2.134 10.440 1.00 0.00 H new ATOM 0 HB2 ASN A 44 112.644 -0.554 8.428 1.00 0.00 H new ATOM 0 HB3 ASN A 44 111.776 -1.783 7.530 1.00 0.00 H new ATOM 0 HD21 ASN A 44 109.805 0.197 10.612 1.00 0.00 H new ATOM 0 HD22 ASN A 44 111.571 0.184 10.569 1.00 0.00 H new ATOM 716 N ARG A 45 111.876 -4.431 8.167 1.00 0.00 N ATOM 717 CA ARG A 45 111.130 -5.705 7.980 1.00 0.00 C ATOM 718 C ARG A 45 111.657 -6.431 6.743 1.00 0.00 C ATOM 719 O ARG A 45 112.239 -5.833 5.859 1.00 0.00 O ATOM 720 CB ARG A 45 109.634 -5.426 7.814 1.00 0.00 C ATOM 721 CG ARG A 45 108.897 -6.755 7.607 1.00 0.00 C ATOM 722 CD ARG A 45 107.394 -6.559 7.823 1.00 0.00 C ATOM 723 NE ARG A 45 106.836 -5.698 6.744 1.00 0.00 N ATOM 724 CZ ARG A 45 105.585 -5.331 6.789 1.00 0.00 C ATOM 725 NH1 ARG A 45 104.896 -5.499 7.885 1.00 0.00 N ATOM 726 NH2 ARG A 45 105.020 -4.798 5.740 1.00 0.00 N ATOM 0 H ARG A 45 112.449 -4.146 7.373 1.00 0.00 H new ATOM 0 HA ARG A 45 111.276 -6.331 8.860 1.00 0.00 H new ATOM 0 HB2 ARG A 45 109.247 -4.914 8.695 1.00 0.00 H new ATOM 0 HB3 ARG A 45 109.466 -4.766 6.963 1.00 0.00 H new ATOM 0 HG2 ARG A 45 109.082 -7.130 6.601 1.00 0.00 H new ATOM 0 HG3 ARG A 45 109.278 -7.504 8.301 1.00 0.00 H new ATOM 0 HD2 ARG A 45 106.889 -7.525 7.827 1.00 0.00 H new ATOM 0 HD3 ARG A 45 107.214 -6.101 8.796 1.00 0.00 H new ATOM 0 HE ARG A 45 107.430 -5.396 5.972 1.00 0.00 H new ATOM 0 HH11 ARG A 45 105.336 -5.917 8.705 1.00 0.00 H new ATOM 0 HH12 ARG A 45 103.918 -5.212 7.921 1.00 0.00 H new ATOM 0 HH21 ARG A 45 105.557 -4.668 4.883 1.00 0.00 H new ATOM 0 HH22 ARG A 45 104.042 -4.512 5.778 1.00 0.00 H new ATOM 740 N LEU A 46 111.453 -7.723 6.680 1.00 0.00 N ATOM 741 CA LEU A 46 111.929 -8.528 5.512 1.00 0.00 C ATOM 742 C LEU A 46 110.749 -9.409 5.028 1.00 0.00 C ATOM 743 O LEU A 46 110.551 -10.498 5.528 1.00 0.00 O ATOM 744 CB LEU A 46 113.111 -9.412 5.986 1.00 0.00 C ATOM 745 CG LEU A 46 114.186 -9.561 4.883 1.00 0.00 C ATOM 746 CD1 LEU A 46 113.533 -9.918 3.535 1.00 0.00 C ATOM 747 CD2 LEU A 46 115.000 -8.259 4.741 1.00 0.00 C ATOM 0 H LEU A 46 110.970 -8.262 7.399 1.00 0.00 H new ATOM 0 HA LEU A 46 112.264 -7.892 4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 46 113.561 -8.973 6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 46 112.739 -10.397 6.269 1.00 0.00 H new ATOM 0 HG LEU A 46 114.859 -10.368 5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 46 114.305 -10.019 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 46 112.992 -10.860 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 46 112.839 -9.129 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 46 115.751 -8.383 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 46 114.332 -7.440 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 46 115.493 -8.033 5.687 1.00 0.00 H new ATOM 759 N PRO A 47 109.943 -8.945 4.089 1.00 0.00 N ATOM 760 CA PRO A 47 108.774 -9.750 3.626 1.00 0.00 C ATOM 761 C PRO A 47 109.176 -11.075 2.959 1.00 0.00 C ATOM 762 O PRO A 47 110.328 -11.301 2.640 1.00 0.00 O ATOM 763 CB PRO A 47 108.068 -8.795 2.636 1.00 0.00 C ATOM 764 CG PRO A 47 108.857 -7.469 2.584 1.00 0.00 C ATOM 765 CD PRO A 47 110.133 -7.619 3.432 1.00 0.00 C ATOM 0 HA PRO A 47 108.138 -10.069 4.452 1.00 0.00 H new ATOM 0 HB2 PRO A 47 108.020 -9.246 1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 47 107.041 -8.612 2.953 1.00 0.00 H new ATOM 0 HG2 PRO A 47 109.115 -7.223 1.554 1.00 0.00 H new ATOM 0 HG3 PRO A 47 108.245 -6.650 2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 47 111.032 -7.599 2.816 1.00 0.00 H new ATOM 0 HD3 PRO A 47 110.229 -6.816 4.163 1.00 0.00 H new ATOM 773 N ILE A 48 108.220 -11.952 2.755 1.00 0.00 N ATOM 774 CA ILE A 48 108.500 -13.273 2.118 1.00 0.00 C ATOM 775 C ILE A 48 107.557 -13.465 0.936 1.00 0.00 C ATOM 776 O ILE A 48 106.377 -13.187 1.025 1.00 0.00 O ATOM 777 CB ILE A 48 108.254 -14.403 3.126 1.00 0.00 C ATOM 778 CG1 ILE A 48 108.984 -14.121 4.456 1.00 0.00 C ATOM 779 CG2 ILE A 48 108.742 -15.726 2.531 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.503 -14.305 4.314 1.00 0.00 C ATOM 0 H ILE A 48 107.243 -11.802 3.008 1.00 0.00 H new ATOM 0 HA ILE A 48 109.538 -13.297 1.787 1.00 0.00 H new ATOM 0 HB ILE A 48 107.185 -14.465 3.332 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.768 -13.103 4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 48 108.606 -14.790 5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 48 108.569 -16.532 3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 48 108.197 -15.934 1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 48 109.808 -15.656 2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 48 110.985 -14.098 5.269 1.00 0.00 H new ATOM 0 HD12 ILE A 48 110.719 -15.330 4.013 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.884 -13.617 3.559 1.00 0.00 H new ATOM 841 N SER A 52 110.243 -17.627 -1.357 1.00 0.00 N ATOM 842 CA SER A 52 111.411 -16.749 -1.672 1.00 0.00 C ATOM 843 C SER A 52 111.359 -15.537 -0.745 1.00 0.00 C ATOM 844 O SER A 52 110.348 -15.270 -0.126 1.00 0.00 O ATOM 845 CB SER A 52 111.343 -16.303 -3.140 1.00 0.00 C ATOM 846 OG SER A 52 112.665 -16.173 -3.648 1.00 0.00 O ATOM 0 HA SER A 52 112.346 -17.289 -1.522 1.00 0.00 H new ATOM 0 HB2 SER A 52 110.784 -17.030 -3.729 1.00 0.00 H new ATOM 0 HB3 SER A 52 110.814 -15.353 -3.220 1.00 0.00 H new ATOM 0 HG SER A 52 112.629 -15.890 -4.586 1.00 0.00 H new ATOM 852 N VAL A 53 112.440 -14.809 -0.638 1.00 0.00 N ATOM 853 CA VAL A 53 112.464 -13.614 0.262 1.00 0.00 C ATOM 854 C VAL A 53 112.828 -12.368 -0.539 1.00 0.00 C ATOM 855 O VAL A 53 113.573 -12.424 -1.496 1.00 0.00 O ATOM 856 CB VAL A 53 113.489 -13.838 1.374 1.00 0.00 C ATOM 857 CG1 VAL A 53 113.110 -15.094 2.190 1.00 0.00 C ATOM 858 CG2 VAL A 53 114.881 -14.015 0.755 1.00 0.00 C ATOM 0 H VAL A 53 113.311 -14.990 -1.137 1.00 0.00 H new ATOM 0 HA VAL A 53 111.477 -13.472 0.703 1.00 0.00 H new ATOM 0 HB VAL A 53 113.498 -12.975 2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 53 113.844 -15.249 2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 53 112.123 -14.957 2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 53 113.095 -15.964 1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 53 115.613 -14.175 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 53 114.875 -14.876 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 53 115.145 -13.120 0.192 1.00 0.00 H new ATOM 868 N LEU A 54 112.294 -11.242 -0.154 1.00 0.00 N ATOM 869 CA LEU A 54 112.594 -9.988 -0.895 1.00 0.00 C ATOM 870 C LEU A 54 114.079 -9.664 -0.740 1.00 0.00 C ATOM 871 O LEU A 54 114.544 -9.332 0.333 1.00 0.00 O ATOM 872 CB LEU A 54 111.754 -8.843 -0.310 1.00 0.00 C ATOM 873 CG LEU A 54 111.991 -7.542 -1.097 1.00 0.00 C ATOM 874 CD1 LEU A 54 111.424 -7.671 -2.521 1.00 0.00 C ATOM 875 CD2 LEU A 54 111.295 -6.384 -0.373 1.00 0.00 C ATOM 0 H LEU A 54 111.664 -11.137 0.641 1.00 0.00 H new ATOM 0 HA LEU A 54 112.354 -10.111 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 54 110.697 -9.107 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 54 112.013 -8.693 0.738 1.00 0.00 H new ATOM 0 HG LEU A 54 113.062 -7.351 -1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.598 -6.744 -3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 54 111.919 -8.494 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 54 110.353 -7.866 -2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.459 -5.459 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 54 110.225 -6.585 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.705 -6.284 0.632 1.00 0.00 H new ATOM 887 N ASP A 55 114.828 -9.750 -1.805 1.00 0.00 N ATOM 888 CA ASP A 55 116.279 -9.438 -1.715 1.00 0.00 C ATOM 889 C ASP A 55 116.459 -7.931 -1.515 1.00 0.00 C ATOM 890 O ASP A 55 116.170 -7.140 -2.391 1.00 0.00 O ATOM 891 CB ASP A 55 116.975 -9.876 -3.005 1.00 0.00 C ATOM 892 CG ASP A 55 118.484 -9.664 -2.869 1.00 0.00 C ATOM 893 OD1 ASP A 55 118.875 -8.832 -2.067 1.00 0.00 O ATOM 894 OD2 ASP A 55 119.222 -10.336 -3.570 1.00 0.00 O ATOM 0 H ASP A 55 114.497 -10.022 -2.731 1.00 0.00 H new ATOM 0 HA ASP A 55 116.719 -9.971 -0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 55 116.761 -10.926 -3.207 1.00 0.00 H new ATOM 0 HB3 ASP A 55 116.591 -9.304 -3.850 1.00 0.00 H new ATOM 899 N LEU A 56 116.936 -7.529 -0.369 1.00 0.00 N ATOM 900 CA LEU A 56 117.139 -6.074 -0.107 1.00 0.00 C ATOM 901 C LEU A 56 118.105 -5.496 -1.145 1.00 0.00 C ATOM 902 O LEU A 56 118.033 -4.336 -1.503 1.00 0.00 O ATOM 903 CB LEU A 56 117.734 -5.882 1.293 1.00 0.00 C ATOM 904 CG LEU A 56 116.708 -6.271 2.368 1.00 0.00 C ATOM 905 CD1 LEU A 56 117.378 -6.203 3.745 1.00 0.00 C ATOM 906 CD2 LEU A 56 115.498 -5.314 2.329 1.00 0.00 C ATOM 0 H LEU A 56 117.195 -8.147 0.400 1.00 0.00 H new ATOM 0 HA LEU A 56 116.180 -5.561 -0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 56 118.632 -6.491 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 56 118.036 -4.843 1.428 1.00 0.00 H new ATOM 0 HG LEU A 56 116.354 -7.284 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 56 116.657 -6.478 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 56 118.221 -6.894 3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 56 117.734 -5.189 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 56 114.780 -5.603 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 56 115.835 -4.294 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 56 115.023 -5.368 1.349 1.00 0.00 H new ATOM 918 N TYR A 57 119.022 -6.295 -1.608 1.00 0.00 N ATOM 919 CA TYR A 57 120.023 -5.812 -2.601 1.00 0.00 C ATOM 920 C TYR A 57 119.307 -5.280 -3.859 1.00 0.00 C ATOM 921 O TYR A 57 119.688 -4.273 -4.421 1.00 0.00 O ATOM 922 CB TYR A 57 120.927 -7.008 -2.976 1.00 0.00 C ATOM 923 CG TYR A 57 122.329 -6.549 -3.342 1.00 0.00 C ATOM 924 CD1 TYR A 57 122.522 -5.607 -4.360 1.00 0.00 C ATOM 925 CD2 TYR A 57 123.438 -7.080 -2.666 1.00 0.00 C ATOM 926 CE1 TYR A 57 123.811 -5.191 -4.697 1.00 0.00 C ATOM 927 CE2 TYR A 57 124.731 -6.665 -3.004 1.00 0.00 C ATOM 928 CZ TYR A 57 124.919 -5.718 -4.019 1.00 0.00 C ATOM 929 OH TYR A 57 126.193 -5.306 -4.355 1.00 0.00 O ATOM 0 H TYR A 57 119.123 -7.274 -1.339 1.00 0.00 H new ATOM 0 HA TYR A 57 120.616 -5.001 -2.179 1.00 0.00 H new ATOM 0 HB2 TYR A 57 120.977 -7.705 -2.139 1.00 0.00 H new ATOM 0 HB3 TYR A 57 120.489 -7.549 -3.815 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.671 -5.201 -4.886 1.00 0.00 H new ATOM 0 HD2 TYR A 57 123.293 -7.810 -1.884 1.00 0.00 H new ATOM 0 HE1 TYR A 57 123.955 -4.462 -5.481 1.00 0.00 H new ATOM 0 HE2 TYR A 57 125.584 -7.075 -2.483 1.00 0.00 H new ATOM 0 HH TYR A 57 126.846 -5.767 -3.789 1.00 0.00 H new ATOM 939 N GLU A 58 118.287 -5.951 -4.311 1.00 0.00 N ATOM 940 CA GLU A 58 117.586 -5.491 -5.547 1.00 0.00 C ATOM 941 C GLU A 58 117.020 -4.079 -5.363 1.00 0.00 C ATOM 942 O GLU A 58 117.087 -3.262 -6.262 1.00 0.00 O ATOM 943 CB GLU A 58 116.450 -6.462 -5.864 1.00 0.00 C ATOM 944 CG GLU A 58 117.043 -7.793 -6.329 1.00 0.00 C ATOM 945 CD GLU A 58 115.921 -8.807 -6.557 1.00 0.00 C ATOM 946 OE1 GLU A 58 114.773 -8.447 -6.354 1.00 0.00 O ATOM 947 OE2 GLU A 58 116.229 -9.927 -6.932 1.00 0.00 O ATOM 0 H GLU A 58 117.907 -6.795 -3.883 1.00 0.00 H new ATOM 0 HA GLU A 58 118.301 -5.466 -6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 58 115.829 -6.615 -4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 58 115.806 -6.047 -6.639 1.00 0.00 H new ATOM 0 HG2 GLU A 58 117.608 -7.648 -7.250 1.00 0.00 H new ATOM 0 HG3 GLU A 58 117.742 -8.171 -5.583 1.00 0.00 H new ATOM 954 N LEU A 59 116.477 -3.768 -4.223 1.00 0.00 N ATOM 955 CA LEU A 59 115.930 -2.395 -4.022 1.00 0.00 C ATOM 956 C LEU A 59 117.059 -1.379 -4.201 1.00 0.00 C ATOM 957 O LEU A 59 116.917 -0.389 -4.891 1.00 0.00 O ATOM 958 CB LEU A 59 115.348 -2.275 -2.602 1.00 0.00 C ATOM 959 CG LEU A 59 114.809 -0.852 -2.343 1.00 0.00 C ATOM 960 CD1 LEU A 59 113.609 -0.563 -3.255 1.00 0.00 C ATOM 961 CD2 LEU A 59 114.378 -0.738 -0.875 1.00 0.00 C ATOM 0 H LEU A 59 116.387 -4.397 -3.425 1.00 0.00 H new ATOM 0 HA LEU A 59 115.142 -2.202 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 59 114.545 -3.001 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 59 116.117 -2.515 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 59 115.594 -0.127 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 59 113.239 0.444 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 59 113.917 -0.642 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 59 112.817 -1.285 -3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 59 113.996 0.265 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 59 113.597 -1.469 -0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 59 115.235 -0.929 -0.228 1.00 0.00 H new ATOM 973 N TYR A 60 118.167 -1.602 -3.553 1.00 0.00 N ATOM 974 CA TYR A 60 119.296 -0.637 -3.645 1.00 0.00 C ATOM 975 C TYR A 60 119.789 -0.473 -5.096 1.00 0.00 C ATOM 976 O TYR A 60 119.934 0.635 -5.574 1.00 0.00 O ATOM 977 CB TYR A 60 120.434 -1.128 -2.745 1.00 0.00 C ATOM 978 CG TYR A 60 121.455 -0.030 -2.608 1.00 0.00 C ATOM 979 CD1 TYR A 60 121.093 1.178 -2.002 1.00 0.00 C ATOM 980 CD2 TYR A 60 122.753 -0.203 -3.106 1.00 0.00 C ATOM 981 CE1 TYR A 60 122.016 2.208 -1.897 1.00 0.00 C ATOM 982 CE2 TYR A 60 123.683 0.833 -2.989 1.00 0.00 C ATOM 983 CZ TYR A 60 123.311 2.040 -2.386 1.00 0.00 C ATOM 984 OH TYR A 60 124.208 3.073 -2.287 1.00 0.00 O ATOM 0 H TYR A 60 118.340 -2.415 -2.961 1.00 0.00 H new ATOM 0 HA TYR A 60 118.951 0.342 -3.313 1.00 0.00 H new ATOM 0 HB2 TYR A 60 120.046 -1.407 -1.765 1.00 0.00 H new ATOM 0 HB3 TYR A 60 120.894 -2.020 -3.171 1.00 0.00 H new ATOM 0 HD1 TYR A 60 120.093 1.309 -1.615 1.00 0.00 H new ATOM 0 HD2 TYR A 60 123.033 -1.133 -3.578 1.00 0.00 H new ATOM 0 HE1 TYR A 60 121.731 3.142 -1.436 1.00 0.00 H new ATOM 0 HE2 TYR A 60 124.688 0.703 -3.363 1.00 0.00 H new ATOM 0 HH TYR A 60 125.010 2.861 -2.810 1.00 0.00 H new ATOM 994 N ASN A 61 120.056 -1.542 -5.807 1.00 0.00 N ATOM 995 CA ASN A 61 120.544 -1.381 -7.215 1.00 0.00 C ATOM 996 C ASN A 61 119.507 -0.640 -8.070 1.00 0.00 C ATOM 997 O ASN A 61 119.852 0.186 -8.892 1.00 0.00 O ATOM 998 CB ASN A 61 120.813 -2.751 -7.842 1.00 0.00 C ATOM 999 CG ASN A 61 122.043 -3.384 -7.192 1.00 0.00 C ATOM 1000 OD1 ASN A 61 122.842 -2.701 -6.583 1.00 0.00 O ATOM 1001 ND2 ASN A 61 122.243 -4.668 -7.319 1.00 0.00 N ATOM 0 H ASN A 61 119.960 -2.504 -5.482 1.00 0.00 H new ATOM 0 HA ASN A 61 121.466 -0.800 -7.184 1.00 0.00 H new ATOM 0 HB2 ASN A 61 119.946 -3.399 -7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 61 120.971 -2.645 -8.915 1.00 0.00 H new ATOM 0 HD21 ASN A 61 123.071 -5.098 -6.907 1.00 0.00 H new ATOM 0 HD22 ASN A 61 121.572 -5.241 -7.831 1.00 0.00 H new ATOM 1008 N LEU A 62 118.245 -0.926 -7.897 1.00 0.00 N ATOM 1009 CA LEU A 62 117.207 -0.232 -8.720 1.00 0.00 C ATOM 1010 C LEU A 62 117.278 1.276 -8.478 1.00 0.00 C ATOM 1011 O LEU A 62 117.134 2.068 -9.387 1.00 0.00 O ATOM 1012 CB LEU A 62 115.814 -0.741 -8.329 1.00 0.00 C ATOM 1013 CG LEU A 62 115.628 -2.196 -8.801 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.462 -2.833 -8.038 1.00 0.00 C ATOM 1015 CD2 LEU A 62 115.318 -2.239 -10.308 1.00 0.00 C ATOM 0 H LEU A 62 117.887 -1.606 -7.226 1.00 0.00 H new ATOM 0 HA LEU A 62 117.390 -0.440 -9.774 1.00 0.00 H new ATOM 0 HB2 LEU A 62 115.688 -0.683 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.048 -0.106 -8.774 1.00 0.00 H new ATOM 0 HG LEU A 62 116.550 -2.744 -8.609 1.00 0.00 H new ATOM 0 HD11 LEU A 62 114.329 -3.862 -8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.677 -2.822 -6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 62 113.550 -2.269 -8.230 1.00 0.00 H new ATOM 0 HD21 LEU A 62 115.190 -3.274 -10.624 1.00 0.00 H new ATOM 0 HD22 LEU A 62 114.402 -1.683 -10.507 1.00 0.00 H new ATOM 0 HD23 LEU A 62 116.142 -1.790 -10.862 1.00 0.00 H new ATOM 1027 N VAL A 63 117.488 1.676 -7.260 1.00 0.00 N ATOM 1028 CA VAL A 63 117.555 3.129 -6.950 1.00 0.00 C ATOM 1029 C VAL A 63 118.751 3.769 -7.675 1.00 0.00 C ATOM 1030 O VAL A 63 118.578 4.603 -8.540 1.00 0.00 O ATOM 1031 CB VAL A 63 117.678 3.281 -5.422 1.00 0.00 C ATOM 1032 CG1 VAL A 63 118.290 4.639 -5.054 1.00 0.00 C ATOM 1033 CG2 VAL A 63 116.279 3.150 -4.781 1.00 0.00 C ATOM 0 H VAL A 63 117.617 1.057 -6.460 1.00 0.00 H new ATOM 0 HA VAL A 63 116.656 3.640 -7.295 1.00 0.00 H new ATOM 0 HB VAL A 63 118.334 2.496 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 63 118.366 4.722 -3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 63 119.283 4.722 -5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.656 5.439 -5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 63 116.363 3.257 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 63 115.625 3.929 -5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 63 115.861 2.172 -5.017 1.00 0.00 H new ATOM 1043 N ILE A 64 119.957 3.397 -7.336 1.00 0.00 N ATOM 1044 CA ILE A 64 121.132 4.008 -8.025 1.00 0.00 C ATOM 1045 C ILE A 64 121.077 3.710 -9.526 1.00 0.00 C ATOM 1046 O ILE A 64 121.432 4.542 -10.336 1.00 0.00 O ATOM 1047 CB ILE A 64 122.439 3.485 -7.420 1.00 0.00 C ATOM 1048 CG1 ILE A 64 122.590 4.063 -6.012 1.00 0.00 C ATOM 1049 CG2 ILE A 64 123.627 3.925 -8.283 1.00 0.00 C ATOM 1050 CD1 ILE A 64 123.776 3.409 -5.303 1.00 0.00 C ATOM 0 H ILE A 64 120.178 2.705 -6.620 1.00 0.00 H new ATOM 0 HA ILE A 64 121.098 5.088 -7.883 1.00 0.00 H new ATOM 0 HB ILE A 64 122.417 2.396 -7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 64 122.738 5.142 -6.067 1.00 0.00 H new ATOM 0 HG13 ILE A 64 121.677 3.895 -5.441 1.00 0.00 H new ATOM 0 HG21 ILE A 64 124.553 3.550 -7.847 1.00 0.00 H new ATOM 0 HG22 ILE A 64 123.513 3.525 -9.291 1.00 0.00 H new ATOM 0 HG23 ILE A 64 123.662 5.014 -8.326 1.00 0.00 H new ATOM 0 HD11 ILE A 64 123.876 3.826 -4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 64 123.610 2.334 -5.233 1.00 0.00 H new ATOM 0 HD13 ILE A 64 124.688 3.600 -5.868 1.00 0.00 H new ATOM 1062 N ALA A 65 120.651 2.535 -9.910 1.00 0.00 N ATOM 1063 CA ALA A 65 120.594 2.211 -11.368 1.00 0.00 C ATOM 1064 C ALA A 65 119.939 3.375 -12.119 1.00 0.00 C ATOM 1065 O ALA A 65 120.046 3.486 -13.324 1.00 0.00 O ATOM 1066 CB ALA A 65 119.771 0.938 -11.582 1.00 0.00 C ATOM 0 H ALA A 65 120.342 1.791 -9.284 1.00 0.00 H new ATOM 0 HA ALA A 65 121.605 2.053 -11.745 1.00 0.00 H new ATOM 0 HB1 ALA A 65 119.732 0.705 -12.646 1.00 0.00 H new ATOM 0 HB2 ALA A 65 120.235 0.110 -11.046 1.00 0.00 H new ATOM 0 HB3 ALA A 65 118.759 1.091 -11.206 1.00 0.00 H new ATOM 1072 N ARG A 66 119.273 4.253 -11.406 1.00 0.00 N ATOM 1073 CA ARG A 66 118.619 5.431 -12.058 1.00 0.00 C ATOM 1074 C ARG A 66 119.428 6.697 -11.754 1.00 0.00 C ATOM 1075 O ARG A 66 119.475 7.614 -12.549 1.00 0.00 O ATOM 1076 CB ARG A 66 117.206 5.606 -11.508 1.00 0.00 C ATOM 1077 CG ARG A 66 116.314 4.469 -12.005 1.00 0.00 C ATOM 1078 CD ARG A 66 114.906 4.662 -11.448 1.00 0.00 C ATOM 1079 NE ARG A 66 114.976 4.734 -9.958 1.00 0.00 N ATOM 1080 CZ ARG A 66 114.075 4.140 -9.223 1.00 0.00 C ATOM 1081 NH1 ARG A 66 112.847 4.581 -9.215 1.00 0.00 N ATOM 1082 NH2 ARG A 66 114.408 3.109 -8.500 1.00 0.00 N ATOM 0 H ARG A 66 119.154 4.203 -10.394 1.00 0.00 H new ATOM 0 HA ARG A 66 118.577 5.265 -13.134 1.00 0.00 H new ATOM 0 HB2 ARG A 66 117.228 5.614 -10.418 1.00 0.00 H new ATOM 0 HB3 ARG A 66 116.798 6.566 -11.825 1.00 0.00 H new ATOM 0 HG2 ARG A 66 116.290 4.458 -13.095 1.00 0.00 H new ATOM 0 HG3 ARG A 66 116.717 3.508 -11.686 1.00 0.00 H new ATOM 0 HD2 ARG A 66 114.465 5.575 -11.848 1.00 0.00 H new ATOM 0 HD3 ARG A 66 114.264 3.837 -11.755 1.00 0.00 H new ATOM 0 HE ARG A 66 115.733 5.251 -9.511 1.00 0.00 H new ATOM 0 HH11 ARG A 66 112.592 5.389 -9.783 1.00 0.00 H new ATOM 0 HH12 ARG A 66 112.142 4.118 -8.641 1.00 0.00 H new ATOM 0 HH21 ARG A 66 115.369 2.769 -8.509 1.00 0.00 H new ATOM 0 HH22 ARG A 66 113.707 2.642 -7.924 1.00 0.00 H new ATOM 1096 N GLY A 67 120.065 6.761 -10.610 1.00 0.00 N ATOM 1097 CA GLY A 67 120.865 7.979 -10.278 1.00 0.00 C ATOM 1098 C GLY A 67 121.036 8.123 -8.759 1.00 0.00 C ATOM 1099 O GLY A 67 122.070 8.553 -8.287 1.00 0.00 O ATOM 0 H GLY A 67 120.066 6.030 -9.899 1.00 0.00 H new ATOM 0 HA2 GLY A 67 121.844 7.918 -10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.371 8.864 -10.678 1.00 0.00 H new ATOM 1103 N GLY A 68 120.037 7.782 -7.985 1.00 0.00 N ATOM 1104 CA GLY A 68 120.171 7.920 -6.501 1.00 0.00 C ATOM 1105 C GLY A 68 118.787 8.020 -5.854 1.00 0.00 C ATOM 1106 O GLY A 68 117.817 8.370 -6.495 1.00 0.00 O ATOM 0 H GLY A 68 119.142 7.417 -8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 68 120.709 7.063 -6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 68 120.758 8.807 -6.262 1.00 0.00 H new ATOM 1110 N LEU A 69 118.686 7.721 -4.584 1.00 0.00 N ATOM 1111 CA LEU A 69 117.361 7.812 -3.906 1.00 0.00 C ATOM 1112 C LEU A 69 116.848 9.248 -3.999 1.00 0.00 C ATOM 1113 O LEU A 69 115.716 9.492 -4.368 1.00 0.00 O ATOM 1114 CB LEU A 69 117.492 7.408 -2.430 1.00 0.00 C ATOM 1115 CG LEU A 69 116.155 7.614 -1.685 1.00 0.00 C ATOM 1116 CD1 LEU A 69 114.984 7.022 -2.487 1.00 0.00 C ATOM 1117 CD2 LEU A 69 116.227 6.901 -0.331 1.00 0.00 C ATOM 0 H LEU A 69 119.460 7.420 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 69 116.660 7.136 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 69 117.796 6.364 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 69 118.274 8.000 -1.954 1.00 0.00 H new ATOM 0 HG LEU A 69 115.991 8.684 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 69 114.053 7.179 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 69 114.923 7.513 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 69 115.144 5.953 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 69 115.287 7.040 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 69 116.400 5.837 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 69 117.044 7.318 0.257 1.00 0.00 H new ATOM 1129 N VAL A 70 117.671 10.206 -3.675 1.00 0.00 N ATOM 1130 CA VAL A 70 117.214 11.617 -3.752 1.00 0.00 C ATOM 1131 C VAL A 70 116.812 11.904 -5.199 1.00 0.00 C ATOM 1132 O VAL A 70 115.823 12.560 -5.459 1.00 0.00 O ATOM 1133 CB VAL A 70 118.344 12.565 -3.318 1.00 0.00 C ATOM 1134 CG1 VAL A 70 117.837 14.011 -3.384 1.00 0.00 C ATOM 1135 CG2 VAL A 70 118.803 12.234 -1.870 1.00 0.00 C ATOM 0 H VAL A 70 118.633 10.073 -3.363 1.00 0.00 H new ATOM 0 HA VAL A 70 116.366 11.776 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 70 119.195 12.440 -3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 70 118.633 14.690 -3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 70 117.534 14.244 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 70 116.983 14.128 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 70 119.603 12.914 -1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 70 117.962 12.349 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 70 119.166 11.207 -1.829 1.00 0.00 H new ATOM 1145 N ASP A 71 117.560 11.404 -6.145 1.00 0.00 N ATOM 1146 CA ASP A 71 117.198 11.638 -7.570 1.00 0.00 C ATOM 1147 C ASP A 71 115.817 11.035 -7.835 1.00 0.00 C ATOM 1148 O ASP A 71 115.002 11.604 -8.533 1.00 0.00 O ATOM 1149 CB ASP A 71 118.233 10.965 -8.478 1.00 0.00 C ATOM 1150 CG ASP A 71 119.547 11.747 -8.430 1.00 0.00 C ATOM 1151 OD1 ASP A 71 119.506 12.915 -8.085 1.00 0.00 O ATOM 1152 OD2 ASP A 71 120.572 11.162 -8.742 1.00 0.00 O ATOM 0 H ASP A 71 118.401 10.847 -5.993 1.00 0.00 H new ATOM 0 HA ASP A 71 117.181 12.708 -7.777 1.00 0.00 H new ATOM 0 HB2 ASP A 71 118.399 9.937 -8.157 1.00 0.00 H new ATOM 0 HB3 ASP A 71 117.861 10.923 -9.502 1.00 0.00 H new ATOM 1157 N VAL A 72 115.549 9.885 -7.280 1.00 0.00 N ATOM 1158 CA VAL A 72 114.221 9.236 -7.492 1.00 0.00 C ATOM 1159 C VAL A 72 113.105 10.083 -6.862 1.00 0.00 C ATOM 1160 O VAL A 72 112.090 10.335 -7.479 1.00 0.00 O ATOM 1161 CB VAL A 72 114.240 7.837 -6.854 1.00 0.00 C ATOM 1162 CG1 VAL A 72 112.811 7.276 -6.754 1.00 0.00 C ATOM 1163 CG2 VAL A 72 115.090 6.901 -7.720 1.00 0.00 C ATOM 0 H VAL A 72 116.194 9.364 -6.686 1.00 0.00 H new ATOM 0 HA VAL A 72 114.027 9.152 -8.561 1.00 0.00 H new ATOM 0 HB VAL A 72 114.663 7.909 -5.852 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.840 6.285 -6.301 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.202 7.939 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.377 7.206 -7.751 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.107 5.907 -7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 72 114.661 6.841 -8.720 1.00 0.00 H new ATOM 0 HG23 VAL A 72 116.107 7.288 -7.784 1.00 0.00 H new ATOM 1173 N ILE A 73 113.268 10.498 -5.635 1.00 0.00 N ATOM 1174 CA ILE A 73 112.193 11.298 -4.975 1.00 0.00 C ATOM 1175 C ILE A 73 111.923 12.589 -5.753 1.00 0.00 C ATOM 1176 O ILE A 73 110.795 12.895 -6.085 1.00 0.00 O ATOM 1177 CB ILE A 73 112.625 11.645 -3.551 1.00 0.00 C ATOM 1178 CG1 ILE A 73 112.855 10.351 -2.766 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.531 12.469 -2.870 1.00 0.00 C ATOM 1180 CD1 ILE A 73 113.523 10.669 -1.427 1.00 0.00 C ATOM 0 H ILE A 73 114.093 10.320 -5.063 1.00 0.00 H new ATOM 0 HA ILE A 73 111.278 10.706 -4.955 1.00 0.00 H new ATOM 0 HB ILE A 73 113.547 12.225 -3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 73 111.905 9.843 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.482 9.671 -3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 73 111.840 12.716 -1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.365 13.388 -3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 73 110.607 11.891 -2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 73 113.684 9.745 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.481 11.157 -1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 73 112.880 11.332 -0.848 1.00 0.00 H new ATOM 1192 N ASN A 74 112.941 13.349 -6.049 1.00 0.00 N ATOM 1193 CA ASN A 74 112.724 14.614 -6.808 1.00 0.00 C ATOM 1194 C ASN A 74 112.090 14.289 -8.161 1.00 0.00 C ATOM 1195 O ASN A 74 111.106 14.879 -8.559 1.00 0.00 O ATOM 1196 CB ASN A 74 114.062 15.323 -7.016 1.00 0.00 C ATOM 1197 CG ASN A 74 113.840 16.621 -7.794 1.00 0.00 C ATOM 1198 OD1 ASN A 74 112.726 17.093 -7.907 1.00 0.00 O ATOM 1199 ND2 ASN A 74 114.862 17.223 -8.338 1.00 0.00 N ATOM 0 H ASN A 74 113.910 13.151 -5.800 1.00 0.00 H new ATOM 0 HA ASN A 74 112.058 15.269 -6.246 1.00 0.00 H new ATOM 0 HB2 ASN A 74 114.524 15.539 -6.053 1.00 0.00 H new ATOM 0 HB3 ASN A 74 114.748 14.674 -7.560 1.00 0.00 H new ATOM 0 HD21 ASN A 74 114.726 18.090 -8.858 1.00 0.00 H new ATOM 0 HD22 ASN A 74 115.797 16.827 -8.243 1.00 0.00 H new ATOM 1206 N LYS A 75 112.646 13.341 -8.865 1.00 0.00 N ATOM 1207 CA LYS A 75 112.080 12.959 -10.188 1.00 0.00 C ATOM 1208 C LYS A 75 110.741 12.254 -9.968 1.00 0.00 C ATOM 1209 O LYS A 75 109.896 12.218 -10.841 1.00 0.00 O ATOM 1210 CB LYS A 75 113.051 12.013 -10.904 1.00 0.00 C ATOM 1211 CG LYS A 75 114.389 12.719 -11.172 1.00 0.00 C ATOM 1212 CD LYS A 75 114.228 13.800 -12.252 1.00 0.00 C ATOM 1213 CE LYS A 75 115.603 14.179 -12.807 1.00 0.00 C ATOM 1214 NZ LYS A 75 116.523 14.490 -11.677 1.00 0.00 N ATOM 0 H LYS A 75 113.471 12.813 -8.579 1.00 0.00 H new ATOM 0 HA LYS A 75 111.931 13.848 -10.800 1.00 0.00 H new ATOM 0 HB2 LYS A 75 113.217 11.124 -10.296 1.00 0.00 H new ATOM 0 HB3 LYS A 75 112.615 11.678 -11.845 1.00 0.00 H new ATOM 0 HG2 LYS A 75 114.758 13.171 -10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 75 115.133 11.989 -11.490 1.00 0.00 H new ATOM 0 HD2 LYS A 75 113.589 13.434 -13.055 1.00 0.00 H new ATOM 0 HD3 LYS A 75 113.739 14.679 -11.831 1.00 0.00 H new ATOM 0 HE2 LYS A 75 116.005 13.360 -13.403 1.00 0.00 H new ATOM 0 HE3 LYS A 75 115.516 15.042 -13.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 117.321 15.059 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 116.009 15.025 -10.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 116.882 13.604 -11.268 1.00 0.00 H new ATOM 1228 N LYS A 76 110.542 11.688 -8.809 1.00 0.00 N ATOM 1229 CA LYS A 76 109.259 10.982 -8.537 1.00 0.00 C ATOM 1230 C LYS A 76 109.181 9.738 -9.429 1.00 0.00 C ATOM 1231 O LYS A 76 108.220 9.529 -10.142 1.00 0.00 O ATOM 1232 CB LYS A 76 108.086 11.941 -8.839 1.00 0.00 C ATOM 1233 CG LYS A 76 106.902 11.662 -7.902 1.00 0.00 C ATOM 1234 CD LYS A 76 106.312 10.287 -8.214 1.00 0.00 C ATOM 1235 CE LYS A 76 105.050 10.072 -7.377 1.00 0.00 C ATOM 1236 NZ LYS A 76 105.434 9.832 -5.956 1.00 0.00 N ATOM 0 H LYS A 76 111.212 11.684 -8.040 1.00 0.00 H new ATOM 0 HA LYS A 76 109.203 10.674 -7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 76 108.414 12.974 -8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 76 107.771 11.823 -9.876 1.00 0.00 H new ATOM 0 HG2 LYS A 76 107.231 11.700 -6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 76 106.140 12.432 -8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 76 106.074 10.214 -9.275 1.00 0.00 H new ATOM 0 HD3 LYS A 76 107.043 9.508 -7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 76 104.400 10.944 -7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 76 104.486 9.222 -7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 104.593 9.552 -5.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 106.144 9.073 -5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 105.833 10.703 -5.552 1.00 0.00 H new ATOM 1250 N LEU A 77 110.200 8.917 -9.398 1.00 0.00 N ATOM 1251 CA LEU A 77 110.215 7.685 -10.246 1.00 0.00 C ATOM 1252 C LEU A 77 109.827 6.462 -9.408 1.00 0.00 C ATOM 1253 O LEU A 77 110.043 5.336 -9.811 1.00 0.00 O ATOM 1254 CB LEU A 77 111.623 7.485 -10.815 1.00 0.00 C ATOM 1255 CG LEU A 77 111.939 8.594 -11.829 1.00 0.00 C ATOM 1256 CD1 LEU A 77 113.421 8.518 -12.209 1.00 0.00 C ATOM 1257 CD2 LEU A 77 111.064 8.440 -13.092 1.00 0.00 C ATOM 0 H LEU A 77 111.028 9.048 -8.818 1.00 0.00 H new ATOM 0 HA LEU A 77 109.497 7.800 -11.058 1.00 0.00 H new ATOM 0 HB2 LEU A 77 112.356 7.498 -10.008 1.00 0.00 H new ATOM 0 HB3 LEU A 77 111.695 6.509 -11.296 1.00 0.00 H new ATOM 0 HG LEU A 77 111.722 9.562 -11.378 1.00 0.00 H new ATOM 0 HD11 LEU A 77 113.653 9.303 -12.929 1.00 0.00 H new ATOM 0 HD12 LEU A 77 114.033 8.652 -11.317 1.00 0.00 H new ATOM 0 HD13 LEU A 77 113.634 7.545 -12.652 1.00 0.00 H new ATOM 0 HD21 LEU A 77 111.302 9.235 -13.799 1.00 0.00 H new ATOM 0 HD22 LEU A 77 111.260 7.473 -13.554 1.00 0.00 H new ATOM 0 HD23 LEU A 77 110.012 8.504 -12.816 1.00 0.00 H new ATOM 1269 N TRP A 78 109.250 6.664 -8.254 1.00 0.00 N ATOM 1270 CA TRP A 78 108.848 5.495 -7.418 1.00 0.00 C ATOM 1271 C TRP A 78 107.983 4.560 -8.268 1.00 0.00 C ATOM 1272 O TRP A 78 107.883 3.378 -8.006 1.00 0.00 O ATOM 1273 CB TRP A 78 108.013 5.968 -6.219 1.00 0.00 C ATOM 1274 CG TRP A 78 108.882 6.577 -5.162 1.00 0.00 C ATOM 1275 CD1 TRP A 78 108.912 7.894 -4.851 1.00 0.00 C ATOM 1276 CD2 TRP A 78 109.825 5.923 -4.259 1.00 0.00 C ATOM 1277 NE1 TRP A 78 109.808 8.088 -3.814 1.00 0.00 N ATOM 1278 CE2 TRP A 78 110.398 6.906 -3.420 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.235 4.588 -4.090 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 111.343 6.579 -2.446 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.187 4.255 -3.110 1.00 0.00 C ATOM 1282 CH2 TRP A 78 111.739 5.249 -2.289 1.00 0.00 C ATOM 0 H TRP A 78 109.041 7.580 -7.856 1.00 0.00 H new ATOM 0 HA TRP A 78 109.742 4.983 -7.062 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.275 6.698 -6.552 1.00 0.00 H new ATOM 0 HB3 TRP A 78 107.463 5.125 -5.800 1.00 0.00 H new ATOM 0 HD1 TRP A 78 108.332 8.667 -5.333 1.00 0.00 H new ATOM 0 HE1 TRP A 78 110.007 8.995 -3.393 1.00 0.00 H new ATOM 0 HE3 TRP A 78 109.816 3.814 -4.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 111.765 7.350 -1.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.495 3.227 -2.989 1.00 0.00 H new ATOM 0 HH2 TRP A 78 112.469 4.987 -1.537 1.00 0.00 H new ATOM 1293 N GLN A 79 107.342 5.090 -9.274 1.00 0.00 N ATOM 1294 CA GLN A 79 106.463 4.247 -10.132 1.00 0.00 C ATOM 1295 C GLN A 79 107.279 3.125 -10.782 1.00 0.00 C ATOM 1296 O GLN A 79 106.836 1.997 -10.862 1.00 0.00 O ATOM 1297 CB GLN A 79 105.837 5.124 -11.222 1.00 0.00 C ATOM 1298 CG GLN A 79 104.798 4.320 -12.011 1.00 0.00 C ATOM 1299 CD GLN A 79 103.637 3.933 -11.093 1.00 0.00 C ATOM 1300 OE1 GLN A 79 103.064 4.774 -10.430 1.00 0.00 O ATOM 1301 NE2 GLN A 79 103.264 2.685 -11.025 1.00 0.00 N ATOM 0 H GLN A 79 107.390 6.074 -9.539 1.00 0.00 H new ATOM 0 HA GLN A 79 105.680 3.802 -9.518 1.00 0.00 H new ATOM 0 HB2 GLN A 79 105.367 5.998 -10.771 1.00 0.00 H new ATOM 0 HB3 GLN A 79 106.612 5.491 -11.895 1.00 0.00 H new ATOM 0 HG2 GLN A 79 104.429 4.910 -12.850 1.00 0.00 H new ATOM 0 HG3 GLN A 79 105.258 3.424 -12.428 1.00 0.00 H new ATOM 0 HE21 GLN A 79 103.745 1.978 -11.581 1.00 0.00 H new ATOM 0 HE22 GLN A 79 102.492 2.416 -10.415 1.00 0.00 H new ATOM 1310 N GLU A 80 108.461 3.417 -11.253 1.00 0.00 N ATOM 1311 CA GLU A 80 109.278 2.350 -11.897 1.00 0.00 C ATOM 1312 C GLU A 80 109.544 1.226 -10.889 1.00 0.00 C ATOM 1313 O GLU A 80 109.466 0.058 -11.218 1.00 0.00 O ATOM 1314 CB GLU A 80 110.605 2.935 -12.387 1.00 0.00 C ATOM 1315 CG GLU A 80 111.422 1.837 -13.074 1.00 0.00 C ATOM 1316 CD GLU A 80 112.671 2.448 -13.712 1.00 0.00 C ATOM 1317 OE1 GLU A 80 112.818 3.657 -13.641 1.00 0.00 O ATOM 1318 OE2 GLU A 80 113.458 1.696 -14.264 1.00 0.00 O ATOM 0 H GLU A 80 108.893 4.340 -11.220 1.00 0.00 H new ATOM 0 HA GLU A 80 108.733 1.946 -12.750 1.00 0.00 H new ATOM 0 HB2 GLU A 80 110.420 3.754 -13.082 1.00 0.00 H new ATOM 0 HB3 GLU A 80 111.164 3.349 -11.548 1.00 0.00 H new ATOM 0 HG2 GLU A 80 111.708 1.075 -12.349 1.00 0.00 H new ATOM 0 HG3 GLU A 80 110.818 1.343 -13.835 1.00 0.00 H new ATOM 1325 N ILE A 81 109.848 1.560 -9.661 1.00 0.00 N ATOM 1326 CA ILE A 81 110.106 0.500 -8.645 1.00 0.00 C ATOM 1327 C ILE A 81 108.828 -0.319 -8.431 1.00 0.00 C ATOM 1328 O ILE A 81 108.862 -1.532 -8.360 1.00 0.00 O ATOM 1329 CB ILE A 81 110.544 1.149 -7.324 1.00 0.00 C ATOM 1330 CG1 ILE A 81 111.949 1.746 -7.487 1.00 0.00 C ATOM 1331 CG2 ILE A 81 110.570 0.096 -6.211 1.00 0.00 C ATOM 1332 CD1 ILE A 81 112.272 2.659 -6.300 1.00 0.00 C ATOM 0 H ILE A 81 109.928 2.518 -9.320 1.00 0.00 H new ATOM 0 HA ILE A 81 110.900 -0.160 -8.995 1.00 0.00 H new ATOM 0 HB ILE A 81 109.837 1.936 -7.062 1.00 0.00 H new ATOM 0 HG12 ILE A 81 112.687 0.947 -7.553 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.007 2.311 -8.417 1.00 0.00 H new ATOM 0 HG21 ILE A 81 110.881 0.562 -5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 81 109.574 -0.330 -6.090 1.00 0.00 H new ATOM 0 HG23 ILE A 81 111.273 -0.694 -6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 81 113.271 3.078 -6.424 1.00 0.00 H new ATOM 0 HD12 ILE A 81 111.542 3.468 -6.254 1.00 0.00 H new ATOM 0 HD13 ILE A 81 112.233 2.082 -5.376 1.00 0.00 H new ATOM 1344 N ILE A 82 107.700 0.332 -8.328 1.00 0.00 N ATOM 1345 CA ILE A 82 106.426 -0.415 -8.122 1.00 0.00 C ATOM 1346 C ILE A 82 106.198 -1.370 -9.299 1.00 0.00 C ATOM 1347 O ILE A 82 105.860 -2.522 -9.120 1.00 0.00 O ATOM 1348 CB ILE A 82 105.262 0.580 -8.027 1.00 0.00 C ATOM 1349 CG1 ILE A 82 105.367 1.361 -6.711 1.00 0.00 C ATOM 1350 CG2 ILE A 82 103.928 -0.174 -8.065 1.00 0.00 C ATOM 1351 CD1 ILE A 82 104.382 2.534 -6.723 1.00 0.00 C ATOM 0 H ILE A 82 107.606 1.346 -8.378 1.00 0.00 H new ATOM 0 HA ILE A 82 106.484 -0.991 -7.198 1.00 0.00 H new ATOM 0 HB ILE A 82 105.309 1.270 -8.870 1.00 0.00 H new ATOM 0 HG12 ILE A 82 105.153 0.703 -5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 82 106.384 1.730 -6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 82 103.106 0.538 -7.997 1.00 0.00 H new ATOM 0 HG22 ILE A 82 103.851 -0.730 -8.999 1.00 0.00 H new ATOM 0 HG23 ILE A 82 103.878 -0.867 -7.225 1.00 0.00 H new ATOM 0 HD11 ILE A 82 104.461 3.085 -5.786 1.00 0.00 H new ATOM 0 HD12 ILE A 82 104.617 3.198 -7.555 1.00 0.00 H new ATOM 0 HD13 ILE A 82 103.366 2.155 -6.837 1.00 0.00 H new ATOM 1537 N ALA A 95 105.222 1.857 -2.491 1.00 0.00 N ATOM 1538 CA ALA A 95 106.188 2.992 -2.539 1.00 0.00 C ATOM 1539 C ALA A 95 106.232 3.678 -1.172 1.00 0.00 C ATOM 1540 O ALA A 95 107.289 3.993 -0.666 1.00 0.00 O ATOM 1541 CB ALA A 95 105.752 3.998 -3.612 1.00 0.00 C ATOM 0 HA ALA A 95 107.180 2.615 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 95 106.460 4.826 -3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 95 105.726 3.505 -4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 95 104.759 4.379 -3.372 1.00 0.00 H new ATOM 1547 N PHE A 96 105.100 3.905 -0.566 1.00 0.00 N ATOM 1548 CA PHE A 96 105.101 4.564 0.770 1.00 0.00 C ATOM 1549 C PHE A 96 105.893 3.708 1.761 1.00 0.00 C ATOM 1550 O PHE A 96 106.670 4.207 2.549 1.00 0.00 O ATOM 1551 CB PHE A 96 103.667 4.721 1.278 1.00 0.00 C ATOM 1552 CG PHE A 96 103.695 5.390 2.632 1.00 0.00 C ATOM 1553 CD1 PHE A 96 103.790 4.614 3.793 1.00 0.00 C ATOM 1554 CD2 PHE A 96 103.636 6.787 2.726 1.00 0.00 C ATOM 1555 CE1 PHE A 96 103.823 5.233 5.048 1.00 0.00 C ATOM 1556 CE2 PHE A 96 103.672 7.405 3.982 1.00 0.00 C ATOM 1557 CZ PHE A 96 103.765 6.627 5.143 1.00 0.00 C ATOM 0 H PHE A 96 104.180 3.665 -0.935 1.00 0.00 H new ATOM 0 HA PHE A 96 105.561 5.548 0.679 1.00 0.00 H new ATOM 0 HB2 PHE A 96 103.082 5.316 0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 96 103.184 3.746 1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 96 103.838 3.537 3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 96 103.563 7.386 1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 96 103.893 4.634 5.944 1.00 0.00 H new ATOM 0 HE2 PHE A 96 103.628 8.482 4.056 1.00 0.00 H new ATOM 0 HZ PHE A 96 103.792 7.104 6.112 1.00 0.00 H new ATOM 1567 N THR A 97 105.698 2.421 1.737 1.00 0.00 N ATOM 1568 CA THR A 97 106.445 1.547 2.681 1.00 0.00 C ATOM 1569 C THR A 97 107.930 1.531 2.308 1.00 0.00 C ATOM 1570 O THR A 97 108.791 1.533 3.158 1.00 0.00 O ATOM 1571 CB THR A 97 105.888 0.123 2.612 1.00 0.00 C ATOM 1572 OG1 THR A 97 104.513 0.138 2.969 1.00 0.00 O ATOM 1573 CG2 THR A 97 106.659 -0.776 3.581 1.00 0.00 C ATOM 0 H THR A 97 105.057 1.938 1.108 1.00 0.00 H new ATOM 0 HA THR A 97 106.331 1.934 3.693 1.00 0.00 H new ATOM 0 HB THR A 97 105.997 -0.262 1.598 1.00 0.00 H new ATOM 0 HG1 THR A 97 104.153 -0.773 2.924 1.00 0.00 H new ATOM 0 HG21 THR A 97 106.262 -1.790 3.531 1.00 0.00 H new ATOM 0 HG22 THR A 97 107.714 -0.786 3.307 1.00 0.00 H new ATOM 0 HG23 THR A 97 106.551 -0.394 4.596 1.00 0.00 H new ATOM 1581 N LEU A 98 108.236 1.491 1.041 1.00 0.00 N ATOM 1582 CA LEU A 98 109.668 1.451 0.617 1.00 0.00 C ATOM 1583 C LEU A 98 110.409 2.725 1.052 1.00 0.00 C ATOM 1584 O LEU A 98 111.479 2.662 1.622 1.00 0.00 O ATOM 1585 CB LEU A 98 109.736 1.325 -0.910 1.00 0.00 C ATOM 1586 CG LEU A 98 109.263 -0.070 -1.356 1.00 0.00 C ATOM 1587 CD1 LEU A 98 109.100 -0.077 -2.880 1.00 0.00 C ATOM 1588 CD2 LEU A 98 110.290 -1.149 -0.947 1.00 0.00 C ATOM 0 H LEU A 98 107.558 1.484 0.279 1.00 0.00 H new ATOM 0 HA LEU A 98 110.146 0.594 1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 98 109.114 2.092 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.758 1.495 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 98 108.312 -0.293 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 98 108.765 -1.062 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 98 108.363 0.671 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.056 0.154 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 98 109.938 -2.128 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 98 111.250 -0.935 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 98 110.408 -1.146 0.137 1.00 0.00 H new ATOM 1600 N ARG A 99 109.866 3.877 0.767 1.00 0.00 N ATOM 1601 CA ARG A 99 110.562 5.146 1.142 1.00 0.00 C ATOM 1602 C ARG A 99 110.761 5.260 2.662 1.00 0.00 C ATOM 1603 O ARG A 99 111.734 5.827 3.117 1.00 0.00 O ATOM 1604 CB ARG A 99 109.762 6.353 0.633 1.00 0.00 C ATOM 1605 CG ARG A 99 108.383 6.379 1.285 1.00 0.00 C ATOM 1606 CD ARG A 99 107.581 7.560 0.740 1.00 0.00 C ATOM 1607 NE ARG A 99 107.391 7.387 -0.729 1.00 0.00 N ATOM 1608 CZ ARG A 99 106.407 7.990 -1.336 1.00 0.00 C ATOM 1609 NH1 ARG A 99 106.434 9.284 -1.496 1.00 0.00 N ATOM 1610 NH2 ARG A 99 105.396 7.296 -1.786 1.00 0.00 N ATOM 0 H ARG A 99 108.972 3.997 0.291 1.00 0.00 H new ATOM 0 HA ARG A 99 111.547 5.132 0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.297 7.275 0.859 1.00 0.00 H new ATOM 0 HB3 ARG A 99 109.660 6.301 -0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 99 107.857 5.446 1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.483 6.462 2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 99 106.614 7.620 1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 99 108.103 8.495 0.944 1.00 0.00 H new ATOM 0 HE ARG A 99 108.031 6.796 -1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 99 107.225 9.825 -1.146 1.00 0.00 H new ATOM 0 HH12 ARG A 99 105.664 9.755 -1.971 1.00 0.00 H new ATOM 0 HH21 ARG A 99 105.377 6.284 -1.662 1.00 0.00 H new ATOM 0 HH22 ARG A 99 104.626 7.766 -2.261 1.00 0.00 H new ATOM 1624 N THR A 100 109.843 4.770 3.459 1.00 0.00 N ATOM 1625 CA THR A 100 110.007 4.915 4.940 1.00 0.00 C ATOM 1626 C THR A 100 111.045 3.923 5.489 1.00 0.00 C ATOM 1627 O THR A 100 111.933 4.302 6.226 1.00 0.00 O ATOM 1628 CB THR A 100 108.641 4.735 5.643 1.00 0.00 C ATOM 1629 OG1 THR A 100 108.616 5.534 6.816 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.386 3.271 6.027 1.00 0.00 C ATOM 0 H THR A 100 109.000 4.283 3.155 1.00 0.00 H new ATOM 0 HA THR A 100 110.378 5.919 5.148 1.00 0.00 H new ATOM 0 HB THR A 100 107.859 5.042 4.948 1.00 0.00 H new ATOM 0 HG1 THR A 100 107.752 5.427 7.267 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.417 3.187 6.518 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.393 2.653 5.129 1.00 0.00 H new ATOM 0 HG23 THR A 100 109.168 2.932 6.707 1.00 0.00 H new ATOM 1638 N GLN A 101 110.946 2.662 5.160 1.00 0.00 N ATOM 1639 CA GLN A 101 111.941 1.697 5.704 1.00 0.00 C ATOM 1640 C GLN A 101 113.321 2.031 5.154 1.00 0.00 C ATOM 1641 O GLN A 101 114.320 1.907 5.837 1.00 0.00 O ATOM 1642 CB GLN A 101 111.559 0.260 5.331 1.00 0.00 C ATOM 1643 CG GLN A 101 111.594 0.070 3.815 1.00 0.00 C ATOM 1644 CD GLN A 101 111.020 -1.308 3.473 1.00 0.00 C ATOM 1645 OE1 GLN A 101 110.787 -1.615 2.322 1.00 0.00 O ATOM 1646 NE2 GLN A 101 110.780 -2.159 4.436 1.00 0.00 N ATOM 0 H GLN A 101 110.232 2.265 4.549 1.00 0.00 H new ATOM 0 HA GLN A 101 111.953 1.775 6.791 1.00 0.00 H new ATOM 0 HB2 GLN A 101 112.246 -0.440 5.807 1.00 0.00 H new ATOM 0 HB3 GLN A 101 110.562 0.034 5.708 1.00 0.00 H new ATOM 0 HG2 GLN A 101 111.015 0.852 3.324 1.00 0.00 H new ATOM 0 HG3 GLN A 101 112.617 0.153 3.448 1.00 0.00 H new ATOM 0 HE21 GLN A 101 110.975 -1.902 5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 101 110.398 -3.079 4.220 1.00 0.00 H new ATOM 1655 N TYR A 102 113.394 2.463 3.928 1.00 0.00 N ATOM 1656 CA TYR A 102 114.719 2.806 3.360 1.00 0.00 C ATOM 1657 C TYR A 102 115.349 3.917 4.202 1.00 0.00 C ATOM 1658 O TYR A 102 116.479 3.833 4.634 1.00 0.00 O ATOM 1659 CB TYR A 102 114.539 3.310 1.928 1.00 0.00 C ATOM 1660 CG TYR A 102 115.885 3.431 1.250 1.00 0.00 C ATOM 1661 CD1 TYR A 102 116.740 4.497 1.564 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.278 2.477 0.303 1.00 0.00 C ATOM 1663 CE1 TYR A 102 117.983 4.606 0.929 1.00 0.00 C ATOM 1664 CE2 TYR A 102 117.522 2.588 -0.330 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.374 3.653 -0.017 1.00 0.00 C ATOM 1666 OH TYR A 102 119.599 3.762 -0.642 1.00 0.00 O ATOM 0 H TYR A 102 112.600 2.592 3.301 1.00 0.00 H new ATOM 0 HA TYR A 102 115.360 1.925 3.363 1.00 0.00 H new ATOM 0 HB2 TYR A 102 113.902 2.624 1.370 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.037 4.278 1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.440 5.233 2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 102 115.621 1.655 0.061 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.641 5.428 1.170 1.00 0.00 H new ATOM 0 HE2 TYR A 102 117.824 1.852 -1.060 1.00 0.00 H new ATOM 0 HH TYR A 102 119.938 2.868 -0.856 1.00 0.00 H new ATOM 1676 N MET A 103 114.623 4.965 4.440 1.00 0.00 N ATOM 1677 CA MET A 103 115.181 6.082 5.242 1.00 0.00 C ATOM 1678 C MET A 103 115.469 5.616 6.669 1.00 0.00 C ATOM 1679 O MET A 103 116.337 6.143 7.338 1.00 0.00 O ATOM 1680 CB MET A 103 114.186 7.243 5.260 1.00 0.00 C ATOM 1681 CG MET A 103 114.122 7.877 3.869 1.00 0.00 C ATOM 1682 SD MET A 103 112.944 9.251 3.885 1.00 0.00 S ATOM 1683 CE MET A 103 112.974 9.600 2.109 1.00 0.00 C ATOM 0 H MET A 103 113.666 5.098 4.114 1.00 0.00 H new ATOM 0 HA MET A 103 116.116 6.415 4.791 1.00 0.00 H new ATOM 0 HB2 MET A 103 113.199 6.886 5.555 1.00 0.00 H new ATOM 0 HB3 MET A 103 114.490 7.986 5.997 1.00 0.00 H new ATOM 0 HG2 MET A 103 115.109 8.234 3.575 1.00 0.00 H new ATOM 0 HG3 MET A 103 113.819 7.133 3.132 1.00 0.00 H new ATOM 0 HE1 MET A 103 112.304 10.431 1.890 1.00 0.00 H new ATOM 0 HE2 MET A 103 113.988 9.862 1.807 1.00 0.00 H new ATOM 0 HE3 MET A 103 112.649 8.717 1.559 1.00 0.00 H new ATOM 1693 N LYS A 104 114.736 4.655 7.154 1.00 0.00 N ATOM 1694 CA LYS A 104 114.960 4.192 8.550 1.00 0.00 C ATOM 1695 C LYS A 104 116.402 3.664 8.730 1.00 0.00 C ATOM 1696 O LYS A 104 117.015 3.906 9.752 1.00 0.00 O ATOM 1697 CB LYS A 104 113.936 3.093 8.893 1.00 0.00 C ATOM 1698 CG LYS A 104 113.660 3.069 10.412 1.00 0.00 C ATOM 1699 CD LYS A 104 112.554 4.080 10.776 1.00 0.00 C ATOM 1700 CE LYS A 104 111.194 3.644 10.190 1.00 0.00 C ATOM 1701 NZ LYS A 104 110.962 4.347 8.895 1.00 0.00 N ATOM 0 H LYS A 104 113.995 4.172 6.647 1.00 0.00 H new ATOM 0 HA LYS A 104 114.827 5.034 9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 104 113.007 3.271 8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 104 114.313 2.123 8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 104 113.359 2.067 10.717 1.00 0.00 H new ATOM 0 HG3 LYS A 104 114.573 3.308 10.957 1.00 0.00 H new ATOM 0 HD2 LYS A 104 112.477 4.166 11.860 1.00 0.00 H new ATOM 0 HD3 LYS A 104 112.819 5.067 10.396 1.00 0.00 H new ATOM 0 HE2 LYS A 104 111.181 2.565 10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 104 110.392 3.877 10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 109.981 4.692 8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 111.615 5.152 8.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 111.127 3.688 8.108 1.00 0.00 H new ATOM 1715 N TYR A 105 116.957 2.942 7.772 1.00 0.00 N ATOM 1716 CA TYR A 105 118.364 2.418 7.957 1.00 0.00 C ATOM 1717 C TYR A 105 119.174 2.425 6.650 1.00 0.00 C ATOM 1718 O TYR A 105 120.312 2.001 6.649 1.00 0.00 O ATOM 1719 CB TYR A 105 118.326 0.971 8.461 1.00 0.00 C ATOM 1720 CG TYR A 105 117.663 0.898 9.813 1.00 0.00 C ATOM 1721 CD1 TYR A 105 118.402 1.153 10.977 1.00 0.00 C ATOM 1722 CD2 TYR A 105 116.309 0.570 9.903 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.778 1.078 12.228 1.00 0.00 C ATOM 1724 CE2 TYR A 105 115.686 0.496 11.150 1.00 0.00 C ATOM 1725 CZ TYR A 105 116.419 0.750 12.315 1.00 0.00 C ATOM 1726 OH TYR A 105 115.803 0.677 13.547 1.00 0.00 O ATOM 0 H TYR A 105 116.510 2.696 6.889 1.00 0.00 H new ATOM 0 HA TYR A 105 118.843 3.082 8.677 1.00 0.00 H new ATOM 0 HB2 TYR A 105 117.785 0.347 7.750 1.00 0.00 H new ATOM 0 HB3 TYR A 105 119.340 0.576 8.525 1.00 0.00 H new ATOM 0 HD1 TYR A 105 119.450 1.407 10.909 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.742 0.373 9.005 1.00 0.00 H new ATOM 0 HE1 TYR A 105 118.345 1.273 13.126 1.00 0.00 H new ATOM 0 HE2 TYR A 105 114.638 0.243 11.216 1.00 0.00 H new ATOM 0 HH TYR A 105 114.860 0.439 13.428 1.00 0.00 H new ATOM 1736 N LEU A 106 118.625 2.866 5.538 1.00 0.00 N ATOM 1737 CA LEU A 106 119.418 2.842 4.251 1.00 0.00 C ATOM 1738 C LEU A 106 119.815 4.260 3.810 1.00 0.00 C ATOM 1739 O LEU A 106 120.690 4.420 2.983 1.00 0.00 O ATOM 1740 CB LEU A 106 118.591 2.161 3.144 1.00 0.00 C ATOM 1741 CG LEU A 106 118.636 0.621 3.320 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.383 -0.028 2.705 1.00 0.00 C ATOM 1743 CD2 LEU A 106 119.891 0.049 2.636 1.00 0.00 C ATOM 0 H LEU A 106 117.678 3.237 5.461 1.00 0.00 H new ATOM 0 HA LEU A 106 120.333 2.276 4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 106 117.559 2.510 3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 106 118.983 2.435 2.165 1.00 0.00 H new ATOM 0 HG LEU A 106 118.667 0.398 4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 106 117.431 -1.109 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.492 0.359 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 106 117.337 0.206 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 106 119.914 -1.033 2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 106 119.866 0.287 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.782 0.487 3.086 1.00 0.00 H new ATOM 1755 N TYR A 107 119.217 5.296 4.344 1.00 0.00 N ATOM 1756 CA TYR A 107 119.640 6.662 3.908 1.00 0.00 C ATOM 1757 C TYR A 107 121.046 6.977 4.451 1.00 0.00 C ATOM 1758 O TYR A 107 121.829 7.607 3.767 1.00 0.00 O ATOM 1759 CB TYR A 107 118.627 7.742 4.338 1.00 0.00 C ATOM 1760 CG TYR A 107 119.215 9.114 4.090 1.00 0.00 C ATOM 1761 CD1 TYR A 107 119.993 9.734 5.074 1.00 0.00 C ATOM 1762 CD2 TYR A 107 118.983 9.761 2.870 1.00 0.00 C ATOM 1763 CE1 TYR A 107 120.539 11.001 4.840 1.00 0.00 C ATOM 1764 CE2 TYR A 107 119.529 11.029 2.636 1.00 0.00 C ATOM 1765 CZ TYR A 107 120.307 11.649 3.621 1.00 0.00 C ATOM 1766 OH TYR A 107 120.846 12.898 3.389 1.00 0.00 O ATOM 0 H TYR A 107 118.475 5.260 5.043 1.00 0.00 H new ATOM 0 HA TYR A 107 119.672 6.672 2.819 1.00 0.00 H new ATOM 0 HB2 TYR A 107 117.698 7.627 3.780 1.00 0.00 H new ATOM 0 HB3 TYR A 107 118.381 7.625 5.394 1.00 0.00 H new ATOM 0 HD1 TYR A 107 120.172 9.234 6.015 1.00 0.00 H new ATOM 0 HD2 TYR A 107 118.383 9.282 2.110 1.00 0.00 H new ATOM 0 HE1 TYR A 107 121.139 11.479 5.600 1.00 0.00 H new ATOM 0 HE2 TYR A 107 119.350 11.529 1.695 1.00 0.00 H new ATOM 0 HH TYR A 107 120.589 13.204 2.494 1.00 0.00 H new ATOM 1776 N PRO A 108 121.403 6.540 5.646 1.00 0.00 N ATOM 1777 CA PRO A 108 122.769 6.817 6.159 1.00 0.00 C ATOM 1778 C PRO A 108 123.782 5.938 5.423 1.00 0.00 C ATOM 1779 O PRO A 108 124.865 6.363 5.076 1.00 0.00 O ATOM 1780 CB PRO A 108 122.655 6.436 7.653 1.00 0.00 C ATOM 1781 CG PRO A 108 121.215 5.948 7.917 1.00 0.00 C ATOM 1782 CD PRO A 108 120.520 5.760 6.558 1.00 0.00 C ATOM 0 HA PRO A 108 123.107 7.844 6.016 1.00 0.00 H new ATOM 0 HB2 PRO A 108 123.373 5.655 7.902 1.00 0.00 H new ATOM 0 HB3 PRO A 108 122.887 7.295 8.283 1.00 0.00 H new ATOM 0 HG2 PRO A 108 121.226 5.010 8.472 1.00 0.00 H new ATOM 0 HG3 PRO A 108 120.673 6.672 8.525 1.00 0.00 H new ATOM 0 HD2 PRO A 108 120.463 4.710 6.271 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.500 6.144 6.565 1.00 0.00 H new ATOM 1790 N TYR A 109 123.410 4.711 5.174 1.00 0.00 N ATOM 1791 CA TYR A 109 124.313 3.780 4.450 1.00 0.00 C ATOM 1792 C TYR A 109 124.511 4.302 3.023 1.00 0.00 C ATOM 1793 O TYR A 109 125.622 4.444 2.551 1.00 0.00 O ATOM 1794 CB TYR A 109 123.660 2.393 4.421 1.00 0.00 C ATOM 1795 CG TYR A 109 124.694 1.340 4.103 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.706 1.064 5.027 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.633 0.630 2.895 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.661 0.083 4.748 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.591 -0.350 2.615 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.605 -0.623 3.540 1.00 0.00 C ATOM 1801 OH TYR A 109 127.545 -1.594 3.263 1.00 0.00 O ATOM 0 H TYR A 109 122.511 4.314 5.445 1.00 0.00 H new ATOM 0 HA TYR A 109 125.282 3.713 4.945 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.197 2.180 5.385 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.866 2.372 3.674 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.750 1.610 5.958 1.00 0.00 H new ATOM 0 HD2 TYR A 109 123.848 0.839 2.183 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.442 -0.131 5.463 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.548 -0.896 1.684 1.00 0.00 H new ATOM 0 HH TYR A 109 127.360 -1.987 2.384 1.00 0.00 H new ATOM 1811 N GLU A 110 123.438 4.616 2.341 1.00 0.00 N ATOM 1812 CA GLU A 110 123.558 5.158 0.963 1.00 0.00 C ATOM 1813 C GLU A 110 124.457 6.395 1.009 1.00 0.00 C ATOM 1814 O GLU A 110 125.394 6.532 0.250 1.00 0.00 O ATOM 1815 CB GLU A 110 122.160 5.554 0.468 1.00 0.00 C ATOM 1816 CG GLU A 110 122.257 6.342 -0.845 1.00 0.00 C ATOM 1817 CD GLU A 110 123.117 5.577 -1.848 1.00 0.00 C ATOM 1818 OE1 GLU A 110 124.328 5.607 -1.705 1.00 0.00 O ATOM 1819 OE2 GLU A 110 122.552 4.972 -2.744 1.00 0.00 O ATOM 0 H GLU A 110 122.483 4.518 2.685 1.00 0.00 H new ATOM 0 HA GLU A 110 123.986 4.415 0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.554 4.660 0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 110 121.657 6.157 1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 110 121.261 6.504 -1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 110 122.689 7.325 -0.658 1.00 0.00 H new ATOM 1826 N CYS A 111 124.164 7.296 1.908 1.00 0.00 N ATOM 1827 CA CYS A 111 124.977 8.537 2.036 1.00 0.00 C ATOM 1828 C CYS A 111 126.386 8.217 2.552 1.00 0.00 C ATOM 1829 O CYS A 111 127.360 8.801 2.129 1.00 0.00 O ATOM 1830 CB CYS A 111 124.286 9.490 3.013 1.00 0.00 C ATOM 1831 SG CYS A 111 122.772 10.135 2.259 1.00 0.00 S ATOM 0 H CYS A 111 123.388 7.223 2.565 1.00 0.00 H new ATOM 0 HA CYS A 111 125.065 9.000 1.053 1.00 0.00 H new ATOM 0 HB2 CYS A 111 124.049 8.968 3.940 1.00 0.00 H new ATOM 0 HB3 CYS A 111 124.955 10.311 3.271 1.00 0.00 H new ATOM 0 HG CYS A 111 121.927 10.461 3.192 1.00 0.00 H new ATOM 1837 N GLU A 112 126.511 7.318 3.485 1.00 0.00 N ATOM 1838 CA GLU A 112 127.866 7.015 4.025 1.00 0.00 C ATOM 1839 C GLU A 112 128.752 6.423 2.924 1.00 0.00 C ATOM 1840 O GLU A 112 129.871 6.851 2.722 1.00 0.00 O ATOM 1841 CB GLU A 112 127.737 6.010 5.178 1.00 0.00 C ATOM 1842 CG GLU A 112 129.107 5.768 5.826 1.00 0.00 C ATOM 1843 CD GLU A 112 129.600 7.060 6.482 1.00 0.00 C ATOM 1844 OE1 GLU A 112 128.777 7.927 6.727 1.00 0.00 O ATOM 1845 OE2 GLU A 112 130.790 7.159 6.727 1.00 0.00 O ATOM 0 H GLU A 112 125.744 6.784 3.894 1.00 0.00 H new ATOM 0 HA GLU A 112 128.323 7.936 4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 112 127.036 6.388 5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.331 5.069 4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 112 129.033 4.975 6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 112 129.822 5.434 5.074 1.00 0.00 H new ATOM 1852 N LYS A 113 128.273 5.432 2.225 1.00 0.00 N ATOM 1853 CA LYS A 113 129.101 4.803 1.156 1.00 0.00 C ATOM 1854 C LYS A 113 129.278 5.729 -0.058 1.00 0.00 C ATOM 1855 O LYS A 113 130.339 5.763 -0.650 1.00 0.00 O ATOM 1856 CB LYS A 113 128.444 3.495 0.703 1.00 0.00 C ATOM 1857 CG LYS A 113 128.343 2.515 1.883 1.00 0.00 C ATOM 1858 CD LYS A 113 129.741 2.014 2.287 1.00 0.00 C ATOM 1859 CE LYS A 113 129.613 0.714 3.085 1.00 0.00 C ATOM 1860 NZ LYS A 113 130.969 0.250 3.495 1.00 0.00 N ATOM 0 H LYS A 113 127.344 5.030 2.347 1.00 0.00 H new ATOM 0 HA LYS A 113 130.088 4.609 1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 113 127.450 3.698 0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 113 129.026 3.047 -0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 113 127.867 3.006 2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 113 127.712 1.669 1.609 1.00 0.00 H new ATOM 0 HD2 LYS A 113 130.349 1.848 1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 113 130.250 2.770 2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 113 128.990 0.874 3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 113 129.122 -0.049 2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 130.884 -0.633 4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 131.549 0.082 2.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 131.421 0.977 4.086 1.00 0.00 H new ATOM 1874 N LYS A 114 128.250 6.446 -0.468 1.00 0.00 N ATOM 1875 CA LYS A 114 128.374 7.327 -1.686 1.00 0.00 C ATOM 1876 C LYS A 114 128.129 8.809 -1.358 1.00 0.00 C ATOM 1877 O LYS A 114 128.472 9.674 -2.138 1.00 0.00 O ATOM 1878 CB LYS A 114 127.347 6.872 -2.730 1.00 0.00 C ATOM 1879 CG LYS A 114 127.619 5.419 -3.156 1.00 0.00 C ATOM 1880 CD LYS A 114 128.843 5.345 -4.082 1.00 0.00 C ATOM 1881 CE LYS A 114 128.903 3.964 -4.739 1.00 0.00 C ATOM 1882 NZ LYS A 114 127.695 3.761 -5.586 1.00 0.00 N ATOM 0 H LYS A 114 127.336 6.460 -0.016 1.00 0.00 H new ATOM 0 HA LYS A 114 129.392 7.234 -2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 114 126.341 6.954 -2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 114 127.390 7.527 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 114 127.786 4.801 -2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 114 126.745 5.015 -3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 114 128.782 6.120 -4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 114 129.754 5.529 -3.513 1.00 0.00 H new ATOM 0 HE2 LYS A 114 129.804 3.878 -5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 114 128.958 3.189 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 127.921 3.108 -6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 126.929 3.360 -5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 127.390 4.674 -5.980 1.00 0.00 H new ATOM 1896 N ASN A 115 127.546 9.127 -0.236 1.00 0.00 N ATOM 1897 CA ASN A 115 127.309 10.572 0.075 1.00 0.00 C ATOM 1898 C ASN A 115 126.607 11.237 -1.112 1.00 0.00 C ATOM 1899 O ASN A 115 127.023 12.272 -1.594 1.00 0.00 O ATOM 1900 CB ASN A 115 128.654 11.259 0.322 1.00 0.00 C ATOM 1901 CG ASN A 115 128.420 12.674 0.854 1.00 0.00 C ATOM 1902 OD1 ASN A 115 128.580 13.639 0.135 1.00 0.00 O ATOM 1903 ND2 ASN A 115 128.049 12.838 2.094 1.00 0.00 N ATOM 0 H ASN A 115 127.227 8.465 0.471 1.00 0.00 H new ATOM 0 HA ASN A 115 126.683 10.661 0.963 1.00 0.00 H new ATOM 0 HB2 ASN A 115 129.241 10.684 1.038 1.00 0.00 H new ATOM 0 HB3 ASN A 115 129.229 11.298 -0.603 1.00 0.00 H new ATOM 0 HD21 ASN A 115 127.893 13.777 2.460 1.00 0.00 H new ATOM 0 HD22 ASN A 115 127.915 12.027 2.698 1.00 0.00 H new ATOM 1910 N LEU A 116 125.549 10.640 -1.591 1.00 0.00 N ATOM 1911 CA LEU A 116 124.814 11.218 -2.754 1.00 0.00 C ATOM 1912 C LEU A 116 124.293 12.618 -2.426 1.00 0.00 C ATOM 1913 O LEU A 116 124.296 13.498 -3.264 1.00 0.00 O ATOM 1914 CB LEU A 116 123.614 10.331 -3.094 1.00 0.00 C ATOM 1915 CG LEU A 116 124.083 8.931 -3.500 1.00 0.00 C ATOM 1916 CD1 LEU A 116 122.852 8.049 -3.750 1.00 0.00 C ATOM 1917 CD2 LEU A 116 124.940 9.009 -4.781 1.00 0.00 C ATOM 0 H LEU A 116 125.160 9.771 -1.225 1.00 0.00 H new ATOM 0 HA LEU A 116 125.504 11.274 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 116 122.948 10.263 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 116 123.041 10.779 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 116 124.689 8.503 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.174 7.049 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.257 7.989 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.250 8.482 -4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 116 125.268 8.008 -5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 116 124.347 9.436 -5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 116 125.811 9.639 -4.598 1.00 0.00 H new ATOM 1929 N SER A 117 123.804 12.826 -1.235 1.00 0.00 N ATOM 1930 CA SER A 117 123.240 14.168 -0.895 1.00 0.00 C ATOM 1931 C SER A 117 123.253 14.385 0.625 1.00 0.00 C ATOM 1932 O SER A 117 123.853 13.626 1.362 1.00 0.00 O ATOM 1933 CB SER A 117 121.806 14.233 -1.440 1.00 0.00 C ATOM 1934 OG SER A 117 121.779 15.109 -2.559 1.00 0.00 O ATOM 0 H SER A 117 123.769 12.134 -0.487 1.00 0.00 H new ATOM 0 HA SER A 117 123.845 14.956 -1.345 1.00 0.00 H new ATOM 0 HB2 SER A 117 121.468 13.239 -1.731 1.00 0.00 H new ATOM 0 HB3 SER A 117 121.124 14.588 -0.667 1.00 0.00 H new ATOM 0 HG SER A 117 120.860 15.187 -2.892 1.00 0.00 H new ATOM 1940 N THR A 118 122.601 15.431 1.097 1.00 0.00 N ATOM 1941 CA THR A 118 122.578 15.718 2.568 1.00 0.00 C ATOM 1942 C THR A 118 121.121 15.948 3.005 1.00 0.00 C ATOM 1943 O THR A 118 120.298 16.350 2.212 1.00 0.00 O ATOM 1944 CB THR A 118 123.407 16.989 2.819 1.00 0.00 C ATOM 1945 OG1 THR A 118 123.147 17.925 1.782 1.00 0.00 O ATOM 1946 CG2 THR A 118 124.905 16.649 2.831 1.00 0.00 C ATOM 0 H THR A 118 122.084 16.097 0.522 1.00 0.00 H new ATOM 0 HA THR A 118 122.995 14.886 3.135 1.00 0.00 H new ATOM 0 HB THR A 118 123.131 17.413 3.784 1.00 0.00 H new ATOM 0 HG1 THR A 118 123.671 18.739 1.937 1.00 0.00 H new ATOM 0 HG21 THR A 118 125.483 17.556 3.009 1.00 0.00 H new ATOM 0 HG22 THR A 118 125.108 15.928 3.623 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.189 16.222 1.869 1.00 0.00 H new ATOM 1954 N PRO A 119 120.778 15.700 4.248 1.00 0.00 N ATOM 1955 CA PRO A 119 119.374 15.914 4.693 1.00 0.00 C ATOM 1956 C PRO A 119 118.873 17.312 4.306 1.00 0.00 C ATOM 1957 O PRO A 119 117.687 17.562 4.222 1.00 0.00 O ATOM 1958 CB PRO A 119 119.477 15.743 6.226 1.00 0.00 C ATOM 1959 CG PRO A 119 120.949 15.439 6.586 1.00 0.00 C ATOM 1960 CD PRO A 119 121.729 15.203 5.281 1.00 0.00 C ATOM 0 HA PRO A 119 118.661 15.229 4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 119 119.142 16.649 6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 119 118.830 14.933 6.561 1.00 0.00 H new ATOM 0 HG2 PRO A 119 121.383 16.270 7.142 1.00 0.00 H new ATOM 0 HG3 PRO A 119 121.009 14.560 7.228 1.00 0.00 H new ATOM 0 HD2 PRO A 119 122.670 15.752 5.265 1.00 0.00 H new ATOM 0 HD3 PRO A 119 121.972 14.150 5.137 1.00 0.00 H new ATOM 1968 N ALA A 120 119.779 18.219 4.073 1.00 0.00 N ATOM 1969 CA ALA A 120 119.383 19.604 3.694 1.00 0.00 C ATOM 1970 C ALA A 120 118.771 19.618 2.296 1.00 0.00 C ATOM 1971 O ALA A 120 117.638 20.017 2.097 1.00 0.00 O ATOM 1972 CB ALA A 120 120.621 20.492 3.688 1.00 0.00 C ATOM 0 H ALA A 120 120.785 18.059 4.129 1.00 0.00 H new ATOM 0 HA ALA A 120 118.650 19.969 4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.339 21.508 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 120 121.069 20.498 4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 120 121.342 20.107 2.967 1.00 0.00 H new ATOM 1978 N GLU A 121 119.526 19.199 1.321 1.00 0.00 N ATOM 1979 CA GLU A 121 119.016 19.204 -0.068 1.00 0.00 C ATOM 1980 C GLU A 121 117.930 18.134 -0.204 1.00 0.00 C ATOM 1981 O GLU A 121 117.095 18.195 -1.084 1.00 0.00 O ATOM 1982 CB GLU A 121 120.188 18.955 -1.029 1.00 0.00 C ATOM 1983 CG GLU A 121 120.722 17.537 -0.861 1.00 0.00 C ATOM 1984 CD GLU A 121 119.838 16.569 -1.649 1.00 0.00 C ATOM 1985 OE1 GLU A 121 119.901 16.608 -2.867 1.00 0.00 O ATOM 1986 OE2 GLU A 121 119.117 15.812 -1.024 1.00 0.00 O ATOM 0 H GLU A 121 120.479 18.852 1.431 1.00 0.00 H new ATOM 0 HA GLU A 121 118.572 20.168 -0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 121 119.862 19.108 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 121 120.983 19.675 -0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 121 121.751 17.479 -1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 121 120.732 17.262 0.194 1.00 0.00 H new ATOM 1993 N LEU A 122 117.910 17.171 0.682 1.00 0.00 N ATOM 1994 CA LEU A 122 116.847 16.127 0.617 1.00 0.00 C ATOM 1995 C LEU A 122 115.496 16.819 0.813 1.00 0.00 C ATOM 1996 O LEU A 122 114.544 16.559 0.103 1.00 0.00 O ATOM 1997 CB LEU A 122 117.073 15.088 1.723 1.00 0.00 C ATOM 1998 CG LEU A 122 115.972 14.013 1.694 1.00 0.00 C ATOM 1999 CD1 LEU A 122 115.993 13.255 0.359 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.217 13.025 2.839 1.00 0.00 C ATOM 0 H LEU A 122 118.581 17.064 1.443 1.00 0.00 H new ATOM 0 HA LEU A 122 116.871 15.615 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 122 118.049 14.620 1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 122 117.081 15.581 2.695 1.00 0.00 H new ATOM 0 HG LEU A 122 115.000 14.494 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 122 115.208 12.499 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 122 115.825 13.955 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 122 116.962 12.772 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 122 115.443 12.258 2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.193 12.557 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 122 116.189 13.556 3.790 1.00 0.00 H new ATOM 2012 N GLN A 123 115.414 17.720 1.759 1.00 0.00 N ATOM 2013 CA GLN A 123 114.134 18.449 1.979 1.00 0.00 C ATOM 2014 C GLN A 123 113.786 19.193 0.699 1.00 0.00 C ATOM 2015 O GLN A 123 112.656 19.192 0.252 1.00 0.00 O ATOM 2016 CB GLN A 123 114.304 19.452 3.125 1.00 0.00 C ATOM 2017 CG GLN A 123 114.365 18.707 4.460 1.00 0.00 C ATOM 2018 CD GLN A 123 112.980 18.151 4.798 1.00 0.00 C ATOM 2019 OE1 GLN A 123 112.831 16.972 5.050 1.00 0.00 O ATOM 2020 NE2 GLN A 123 111.954 18.958 4.816 1.00 0.00 N ATOM 0 H GLN A 123 116.176 17.980 2.385 1.00 0.00 H new ATOM 0 HA GLN A 123 113.340 17.748 2.238 1.00 0.00 H new ATOM 0 HB2 GLN A 123 115.215 20.033 2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 123 113.473 20.158 3.129 1.00 0.00 H new ATOM 0 HG2 GLN A 123 115.090 17.895 4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 123 114.701 19.380 5.249 1.00 0.00 H new ATOM 0 HE21 GLN A 123 112.080 19.948 4.604 1.00 0.00 H new ATOM 0 HE22 GLN A 123 111.026 18.599 5.042 1.00 0.00 H new ATOM 2029 N ALA A 124 114.760 19.801 0.084 1.00 0.00 N ATOM 2030 CA ALA A 124 114.491 20.512 -1.188 1.00 0.00 C ATOM 2031 C ALA A 124 114.081 19.463 -2.218 1.00 0.00 C ATOM 2032 O ALA A 124 113.302 19.719 -3.115 1.00 0.00 O ATOM 2033 CB ALA A 124 115.754 21.238 -1.653 1.00 0.00 C ATOM 0 H ALA A 124 115.727 19.835 0.408 1.00 0.00 H new ATOM 0 HA ALA A 124 113.701 21.252 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 124 115.551 21.759 -2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 124 116.059 21.959 -0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 124 116.554 20.514 -1.807 1.00 0.00 H new ATOM 2039 N ALA A 125 114.601 18.271 -2.079 1.00 0.00 N ATOM 2040 CA ALA A 125 114.248 17.182 -3.028 1.00 0.00 C ATOM 2041 C ALA A 125 112.783 16.788 -2.819 1.00 0.00 C ATOM 2042 O ALA A 125 112.059 16.545 -3.764 1.00 0.00 O ATOM 2043 CB ALA A 125 115.157 15.968 -2.779 1.00 0.00 C ATOM 0 H ALA A 125 115.258 18.007 -1.344 1.00 0.00 H new ATOM 0 HA ALA A 125 114.388 17.526 -4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 125 114.897 15.170 -3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 125 116.198 16.256 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 125 115.021 15.616 -1.756 1.00 0.00 H new ATOM 2049 N ILE A 126 112.332 16.733 -1.590 1.00 0.00 N ATOM 2050 CA ILE A 126 110.909 16.363 -1.348 1.00 0.00 C ATOM 2051 C ILE A 126 110.022 17.497 -1.858 1.00 0.00 C ATOM 2052 O ILE A 126 108.986 17.274 -2.449 1.00 0.00 O ATOM 2053 CB ILE A 126 110.666 16.159 0.154 1.00 0.00 C ATOM 2054 CG1 ILE A 126 111.430 14.919 0.633 1.00 0.00 C ATOM 2055 CG2 ILE A 126 109.169 15.964 0.413 1.00 0.00 C ATOM 2056 CD1 ILE A 126 111.392 14.842 2.164 1.00 0.00 C ATOM 0 H ILE A 126 112.883 16.927 -0.754 1.00 0.00 H new ATOM 0 HA ILE A 126 110.675 15.435 -1.870 1.00 0.00 H new ATOM 0 HB ILE A 126 111.017 17.037 0.697 1.00 0.00 H new ATOM 0 HG12 ILE A 126 110.987 14.020 0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 126 112.463 14.962 0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 126 109.000 15.819 1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 126 108.624 16.845 0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 126 108.817 15.088 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 126 111.937 13.959 2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 126 111.855 15.734 2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 126 110.357 14.778 2.500 1.00 0.00 H new