USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 664 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 51 MET CE :methyl -164:sc= -4.76! (180deg=-5.19!) USER MOD Set 1.2: A 52 SER OG : rot -150:sc= -3.78! USER MOD Set 2.1: A 43 ASN : amide:sc= -2.81! C(o=-1.6!,f=-7!) USER MOD Set 2.2: A 46 SER OG : rot 100:sc= 1.19 USER MOD Set 3.1: A 30 THR OG1 : rot -79:sc= -2.93! USER MOD Set 3.2: A 31 SER OG : rot 140:sc= 0.178 USER MOD Set 4.1: A 5 LYS NZ :NH3+ 178:sc= -3.35! (180deg=-3.54!) USER MOD Set 4.2: A 62 THR OG1 : rot -64:sc= 0.0629 USER MOD Set 5.1: A 3 GLN : amide:sc= -4.72! C(o=-5.9!,f=-7.4!) USER MOD Set 5.2: A 66 GLN : amide:sc= -1.15! K(o=-5.9!,f=-6.8) USER MOD Single : A 4 GLN : amide:sc= 0.384 K(o=0.38,f=-0.36) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= -1.51 (180deg=-3.38!) USER MOD Single : A 12 THR OG1 : rot -80:sc= 0.198 USER MOD Single : A 15 GLN : amide:sc= 1.06 K(o=1.1,f=-0.03) USER MOD Single : A 24 GLN : amide:sc= -1.66! C(o=-1.7!,f=-6.2!) USER MOD Single : A 27 ASN :FLIP amide:sc= -4.18! C(o=-4.9!,f=-4.2!) USER MOD Single : A 37 LYS NZ :NH3+ -120:sc= -1.51 (180deg=-3.66!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= -0.859! (180deg=-1.57!) USER MOD Single : A 48 MET CE :methyl -157:sc= -0.202 (180deg=-0.952) USER MOD Single : A 56 SER OG : rot 76:sc= -1.84! USER MOD Single : A 57 THR OG1 : rot 180:sc= -4.34! USER MOD Single : A 59 THR OG1 : rot 69:sc= -0.869! USER MOD Single : A 71 GLN :FLIP amide:sc= -1.82! C(o=-5.1!,f=-1.8!) USER MOD Single : A 76 LYS NZ :NH3+ 158:sc= -0.369 (180deg=-0.584!) USER MOD Single : A 80 TYR OH : rot -162:sc= -1.08 USER MOD Single : A 82 GLN : amide:sc= -5.28! C(o=-5.3!,f=-9.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 -17.323 5.773 -2.361 1.00 0.00 N ATOM 2 CA VAL A 2 -18.005 5.041 -1.296 1.00 0.00 C ATOM 3 C VAL A 2 -16.994 4.148 -0.580 1.00 0.00 C ATOM 4 O VAL A 2 -16.194 3.487 -1.238 1.00 0.00 O ATOM 5 CB VAL A 2 -19.155 4.215 -1.878 1.00 0.00 C ATOM 6 CG1 VAL A 2 -20.204 5.144 -2.484 1.00 0.00 C ATOM 7 CG2 VAL A 2 -18.652 3.257 -2.958 1.00 0.00 C ATOM 0 HA VAL A 2 -18.429 5.741 -0.577 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.595 3.632 -1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -21.020 4.551 -2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -20.592 5.808 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -19.750 5.738 -3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -19.490 2.683 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -18.190 3.827 -3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -17.917 2.577 -2.527 1.00 0.00 H new ATOM 19 N GLN A 3 -16.983 4.137 0.753 1.00 0.00 N ATOM 20 CA GLN A 3 -15.950 3.385 1.427 1.00 0.00 C ATOM 21 C GLN A 3 -16.436 2.140 2.154 1.00 0.00 C ATOM 22 O GLN A 3 -17.378 2.193 2.941 1.00 0.00 O ATOM 23 CB GLN A 3 -15.198 4.286 2.401 1.00 0.00 C ATOM 24 CG GLN A 3 -13.748 3.821 2.350 1.00 0.00 C ATOM 25 CD GLN A 3 -12.918 4.221 3.554 1.00 0.00 C ATOM 26 OE1 GLN A 3 -11.816 4.732 3.383 1.00 0.00 O ATOM 27 NE2 GLN A 3 -13.415 3.980 4.764 1.00 0.00 N ATOM 0 H GLN A 3 -17.649 4.620 1.356 1.00 0.00 H new ATOM 0 HA GLN A 3 -15.291 3.028 0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -15.284 5.334 2.113 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -15.603 4.198 3.409 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.731 2.735 2.257 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.281 4.225 1.452 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.336 3.553 4.861 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.875 4.222 5.595 1.00 0.00 H new ATOM 36 N GLN A 4 -15.738 1.029 1.920 1.00 0.00 N ATOM 37 CA GLN A 4 -15.912 -0.222 2.639 1.00 0.00 C ATOM 38 C GLN A 4 -14.510 -0.801 2.817 1.00 0.00 C ATOM 39 O GLN A 4 -13.628 -0.554 1.988 1.00 0.00 O ATOM 40 CB GLN A 4 -16.852 -1.196 1.912 1.00 0.00 C ATOM 41 CG GLN A 4 -18.300 -0.715 1.983 1.00 0.00 C ATOM 42 CD GLN A 4 -18.863 -0.895 3.382 1.00 0.00 C ATOM 43 OE1 GLN A 4 -19.396 -1.949 3.709 1.00 0.00 O ATOM 44 NE2 GLN A 4 -18.735 0.123 4.223 1.00 0.00 N ATOM 0 H GLN A 4 -15.015 0.979 1.202 1.00 0.00 H new ATOM 0 HA GLN A 4 -16.394 -0.050 3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -16.547 -1.291 0.870 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.772 -2.187 2.359 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -18.353 0.336 1.698 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.907 -1.270 1.268 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -18.285 0.985 3.915 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -19.086 0.043 5.177 1.00 0.00 H new ATOM 53 N LYS A 5 -14.298 -1.526 3.912 1.00 0.00 N ATOM 54 CA LYS A 5 -13.031 -2.126 4.243 1.00 0.00 C ATOM 55 C LYS A 5 -13.262 -3.399 5.041 1.00 0.00 C ATOM 56 O LYS A 5 -14.217 -3.480 5.812 1.00 0.00 O ATOM 57 CB LYS A 5 -12.255 -1.115 5.069 1.00 0.00 C ATOM 58 CG LYS A 5 -13.031 -0.675 6.310 1.00 0.00 C ATOM 59 CD LYS A 5 -12.434 0.650 6.771 1.00 0.00 C ATOM 60 CE LYS A 5 -12.895 1.002 8.186 1.00 0.00 C ATOM 61 NZ LYS A 5 -12.305 0.100 9.192 1.00 0.00 N ATOM 0 H LYS A 5 -15.026 -1.710 4.602 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.473 -2.388 3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.302 -1.549 5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.028 -0.243 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.090 -0.560 6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.955 -1.425 7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.346 0.590 6.745 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.727 1.443 6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.618 2.031 8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.982 0.945 8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.613 0.390 10.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.617 -0.875 9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.268 0.148 9.135 1.00 0.00 H new ATOM 75 N VAL A 6 -12.403 -4.391 4.848 1.00 0.00 N ATOM 76 CA VAL A 6 -12.427 -5.591 5.660 1.00 0.00 C ATOM 77 C VAL A 6 -11.172 -5.524 6.523 1.00 0.00 C ATOM 78 O VAL A 6 -10.234 -4.804 6.194 1.00 0.00 O ATOM 79 CB VAL A 6 -12.445 -6.840 4.779 1.00 0.00 C ATOM 80 CG1 VAL A 6 -12.708 -8.083 5.624 1.00 0.00 C ATOM 81 CG2 VAL A 6 -13.532 -6.730 3.712 1.00 0.00 C ATOM 0 H VAL A 6 -11.678 -4.384 4.130 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.323 -5.650 6.278 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.471 -6.923 4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -12.718 -8.964 4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.922 -8.188 6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -13.672 -7.987 6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -13.529 -7.629 3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.504 -6.624 4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -13.340 -5.859 3.085 1.00 0.00 H new ATOM 91 N GLU A 7 -11.115 -6.225 7.646 1.00 0.00 N ATOM 92 CA GLU A 7 -9.902 -6.117 8.434 1.00 0.00 C ATOM 93 C GLU A 7 -9.014 -7.323 8.200 1.00 0.00 C ATOM 94 O GLU A 7 -9.524 -8.434 8.057 1.00 0.00 O ATOM 95 CB GLU A 7 -10.236 -6.002 9.923 1.00 0.00 C ATOM 96 CG GLU A 7 -11.428 -5.082 10.191 1.00 0.00 C ATOM 97 CD GLU A 7 -11.109 -3.634 9.866 1.00 0.00 C ATOM 98 OE1 GLU A 7 -9.929 -3.259 10.038 1.00 0.00 O ATOM 99 OE2 GLU A 7 -12.053 -2.929 9.446 1.00 0.00 O ATOM 0 H GLU A 7 -11.844 -6.837 8.013 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.372 -5.217 8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.451 -6.994 10.321 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.364 -5.626 10.459 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.280 -5.409 9.595 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.721 -5.163 11.238 1.00 0.00 H new ATOM 106 N VAL A 8 -7.697 -7.121 8.170 1.00 0.00 N ATOM 107 CA VAL A 8 -6.806 -8.217 7.860 1.00 0.00 C ATOM 108 C VAL A 8 -5.540 -8.187 8.697 1.00 0.00 C ATOM 109 O VAL A 8 -4.971 -7.122 8.914 1.00 0.00 O ATOM 110 CB VAL A 8 -6.414 -8.143 6.371 1.00 0.00 C ATOM 111 CG1 VAL A 8 -7.416 -7.319 5.572 1.00 0.00 C ATOM 112 CG2 VAL A 8 -5.044 -7.504 6.141 1.00 0.00 C ATOM 0 H VAL A 8 -7.240 -6.228 8.353 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.335 -9.143 8.084 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.396 -9.181 6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.109 -7.287 4.526 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.403 -7.774 5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.453 -6.305 5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.827 -7.482 5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.047 -6.486 6.532 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.280 -8.087 6.654 1.00 0.00 H new ATOM 122 N ARG A 9 -5.048 -9.335 9.152 1.00 0.00 N ATOM 123 CA ARG A 9 -3.675 -9.288 9.612 1.00 0.00 C ATOM 124 C ARG A 9 -2.864 -9.417 8.340 1.00 0.00 C ATOM 125 O ARG A 9 -2.830 -10.486 7.736 1.00 0.00 O ATOM 126 CB ARG A 9 -3.299 -10.385 10.596 1.00 0.00 C ATOM 127 CG ARG A 9 -1.778 -10.476 10.711 1.00 0.00 C ATOM 128 CD ARG A 9 -1.377 -11.950 10.737 1.00 0.00 C ATOM 129 NE ARG A 9 -1.778 -12.629 9.495 1.00 0.00 N ATOM 130 CZ ARG A 9 -1.593 -13.939 9.279 1.00 0.00 C ATOM 131 NH1 ARG A 9 -0.968 -14.681 10.199 1.00 0.00 N ATOM 132 NH2 ARG A 9 -2.028 -14.512 8.151 1.00 0.00 N ATOM 0 H ARG A 9 -5.531 -10.232 9.210 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.495 -8.370 10.171 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.735 -10.176 11.573 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.706 -11.340 10.263 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.304 -9.970 9.870 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.437 -9.975 11.617 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.298 -12.035 10.870 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.843 -12.442 11.591 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.219 -12.075 8.761 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.634 -14.250 11.061 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.825 -15.678 10.039 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.506 -13.951 7.445 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.882 -15.510 7.997 1.00 0.00 H new ATOM 146 N LEU A 10 -2.280 -8.293 7.941 1.00 0.00 N ATOM 147 CA LEU A 10 -1.428 -8.054 6.794 1.00 0.00 C ATOM 148 C LEU A 10 -0.284 -9.067 6.736 1.00 0.00 C ATOM 149 O LEU A 10 0.873 -8.734 6.962 1.00 0.00 O ATOM 150 CB LEU A 10 -0.930 -6.624 6.990 1.00 0.00 C ATOM 151 CG LEU A 10 0.150 -6.173 6.023 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.356 -6.211 4.584 1.00 0.00 C ATOM 153 CD2 LEU A 10 0.509 -4.759 6.460 1.00 0.00 C ATOM 0 H LEU A 10 -2.410 -7.435 8.477 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.951 -8.171 5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.779 -5.946 6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.548 -6.526 8.006 1.00 0.00 H new ATOM 0 HG LEU A 10 1.021 -6.828 6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.436 -5.883 3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.651 -7.229 4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.215 -5.548 4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.286 -4.363 5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.375 -4.124 6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.873 -4.777 7.487 1.00 0.00 H new ATOM 165 N LYS A 11 -0.605 -10.312 6.410 1.00 0.00 N ATOM 166 CA LYS A 11 0.335 -11.410 6.373 1.00 0.00 C ATOM 167 C LYS A 11 1.252 -11.255 5.175 1.00 0.00 C ATOM 168 O LYS A 11 2.414 -11.639 5.253 1.00 0.00 O ATOM 169 CB LYS A 11 -0.470 -12.695 6.310 1.00 0.00 C ATOM 170 CG LYS A 11 0.241 -13.742 5.480 1.00 0.00 C ATOM 171 CD LYS A 11 -0.848 -14.136 4.508 1.00 0.00 C ATOM 172 CE LYS A 11 -1.186 -13.031 3.525 1.00 0.00 C ATOM 173 NZ LYS A 11 -2.247 -13.481 2.623 1.00 0.00 N ATOM 0 H LYS A 11 -1.554 -10.587 6.158 1.00 0.00 H new ATOM 0 HA LYS A 11 0.969 -11.426 7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.634 -13.075 7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.452 -12.492 5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.118 -13.340 4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.579 -14.585 6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.534 -15.023 3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.745 -14.408 5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.506 -12.138 4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.300 -12.757 2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.753 -12.656 2.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.830 -14.023 1.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.913 -14.085 3.145 1.00 0.00 H new ATOM 187 N THR A 12 0.716 -10.753 4.062 1.00 0.00 N ATOM 188 CA THR A 12 1.536 -10.389 2.919 1.00 0.00 C ATOM 189 C THR A 12 2.707 -9.544 3.441 1.00 0.00 C ATOM 190 O THR A 12 3.876 -9.859 3.241 1.00 0.00 O ATOM 191 CB THR A 12 0.717 -9.559 1.918 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.099 -8.615 2.594 1.00 0.00 O ATOM 193 CG2 THR A 12 -0.200 -10.419 1.055 1.00 0.00 C ATOM 0 H THR A 12 -0.283 -10.591 3.933 1.00 0.00 H new ATOM 0 HA THR A 12 1.893 -11.285 2.412 1.00 0.00 H new ATOM 0 HB THR A 12 1.447 -9.061 1.280 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.901 -9.062 2.936 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.755 -9.782 0.366 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.398 -11.132 0.488 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.900 -10.959 1.693 1.00 0.00 H new ATOM 201 N GLY A 13 2.370 -8.474 4.165 1.00 0.00 N ATOM 202 CA GLY A 13 3.340 -7.535 4.712 1.00 0.00 C ATOM 203 C GLY A 13 4.158 -6.878 3.603 1.00 0.00 C ATOM 204 O GLY A 13 5.278 -6.436 3.824 1.00 0.00 O ATOM 0 H GLY A 13 1.403 -8.237 4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.823 -6.768 5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.007 -8.056 5.399 1.00 0.00 H new ATOM 208 N LEU A 14 3.604 -6.891 2.394 1.00 0.00 N ATOM 209 CA LEU A 14 4.054 -6.201 1.204 1.00 0.00 C ATOM 210 C LEU A 14 5.565 -6.168 1.069 1.00 0.00 C ATOM 211 O LEU A 14 6.209 -5.121 1.103 1.00 0.00 O ATOM 212 CB LEU A 14 3.360 -4.862 1.047 1.00 0.00 C ATOM 213 CG LEU A 14 1.841 -5.079 1.128 1.00 0.00 C ATOM 214 CD1 LEU A 14 1.092 -4.022 0.330 1.00 0.00 C ATOM 215 CD2 LEU A 14 1.415 -6.412 0.526 1.00 0.00 C ATOM 0 H LEU A 14 2.758 -7.432 2.214 1.00 0.00 H new ATOM 0 HA LEU A 14 3.742 -6.788 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.685 -4.175 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.626 -4.409 0.092 1.00 0.00 H new ATOM 0 HG LEU A 14 1.604 -5.036 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.019 -4.201 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.324 -3.034 0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.395 -4.073 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.333 -6.519 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.705 -6.446 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.901 -7.226 1.064 1.00 0.00 H new ATOM 227 N GLN A 15 6.098 -7.366 0.913 1.00 0.00 N ATOM 228 CA GLN A 15 7.500 -7.630 0.721 1.00 0.00 C ATOM 229 C GLN A 15 7.839 -7.272 -0.717 1.00 0.00 C ATOM 230 O GLN A 15 8.847 -6.612 -0.960 1.00 0.00 O ATOM 231 CB GLN A 15 7.764 -9.104 1.025 1.00 0.00 C ATOM 232 CG GLN A 15 7.396 -9.391 2.482 1.00 0.00 C ATOM 233 CD GLN A 15 7.301 -10.885 2.741 1.00 0.00 C ATOM 234 OE1 GLN A 15 8.190 -11.648 2.374 1.00 0.00 O ATOM 235 NE2 GLN A 15 6.196 -11.319 3.334 1.00 0.00 N ATOM 0 H GLN A 15 5.534 -8.216 0.918 1.00 0.00 H new ATOM 0 HA GLN A 15 8.127 -7.038 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.178 -9.736 0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.813 -9.342 0.849 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.144 -8.952 3.142 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.444 -8.917 2.719 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.479 -10.655 3.625 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.064 -12.317 3.499 1.00 0.00 H new ATOM 244 N ALA A 16 7.007 -7.697 -1.675 1.00 0.00 N ATOM 245 CA ALA A 16 7.245 -7.311 -3.056 1.00 0.00 C ATOM 246 C ALA A 16 6.116 -7.687 -4.012 1.00 0.00 C ATOM 247 O ALA A 16 5.136 -6.963 -4.153 1.00 0.00 O ATOM 248 CB ALA A 16 8.586 -7.880 -3.524 1.00 0.00 C ATOM 0 H ALA A 16 6.191 -8.289 -1.521 1.00 0.00 H new ATOM 0 HA ALA A 16 7.278 -6.222 -3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.763 -7.590 -4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.386 -7.489 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.565 -8.967 -3.450 1.00 0.00 H new ATOM 254 N ARG A 17 6.281 -8.813 -4.700 1.00 0.00 N ATOM 255 CA ARG A 17 5.413 -9.286 -5.767 1.00 0.00 C ATOM 256 C ARG A 17 3.959 -9.467 -5.344 1.00 0.00 C ATOM 257 O ARG A 17 3.083 -8.794 -5.879 1.00 0.00 O ATOM 258 CB ARG A 17 5.991 -10.583 -6.331 1.00 0.00 C ATOM 259 CG ARG A 17 7.411 -10.332 -6.834 1.00 0.00 C ATOM 260 CD ARG A 17 8.384 -11.331 -6.207 1.00 0.00 C ATOM 261 NE ARG A 17 8.436 -11.179 -4.748 1.00 0.00 N ATOM 262 CZ ARG A 17 7.732 -11.925 -3.885 1.00 0.00 C ATOM 263 NH1 ARG A 17 6.945 -12.916 -4.315 1.00 0.00 N ATOM 264 NH2 ARG A 17 7.800 -11.682 -2.576 1.00 0.00 N ATOM 0 H ARG A 17 7.059 -9.447 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 17 5.387 -8.515 -6.537 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.998 -11.355 -5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.365 -10.949 -7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.440 -10.420 -7.920 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.716 -9.315 -6.588 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.078 -12.347 -6.459 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.380 -11.185 -6.626 1.00 0.00 H new ATOM 0 HE ARG A 17 9.048 -10.458 -4.366 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.874 -13.114 -5.313 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.416 -13.474 -3.645 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.389 -10.926 -2.228 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.263 -12.252 -1.923 1.00 0.00 H new ATOM 278 N PRO A 18 3.681 -10.376 -4.405 1.00 0.00 N ATOM 279 CA PRO A 18 2.338 -10.650 -3.922 1.00 0.00 C ATOM 280 C PRO A 18 1.745 -9.421 -3.255 1.00 0.00 C ATOM 281 O PRO A 18 0.540 -9.183 -3.318 1.00 0.00 O ATOM 282 CB PRO A 18 2.515 -11.769 -2.900 1.00 0.00 C ATOM 283 CG PRO A 18 3.870 -11.384 -2.317 1.00 0.00 C ATOM 284 CD PRO A 18 4.659 -11.032 -3.567 1.00 0.00 C ATOM 0 HA PRO A 18 1.661 -10.925 -4.731 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.725 -11.776 -2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.525 -12.757 -3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.795 -10.541 -1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.325 -12.206 -1.764 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.499 -10.376 -3.341 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.069 -11.921 -4.047 1.00 0.00 H new ATOM 292 N ALA A 19 2.611 -8.652 -2.618 1.00 0.00 N ATOM 293 CA ALA A 19 2.329 -7.399 -1.985 1.00 0.00 C ATOM 294 C ALA A 19 1.770 -6.398 -2.989 1.00 0.00 C ATOM 295 O ALA A 19 0.731 -5.771 -2.775 1.00 0.00 O ATOM 296 CB ALA A 19 3.696 -6.976 -1.518 1.00 0.00 C ATOM 0 H ALA A 19 3.593 -8.915 -2.530 1.00 0.00 H new ATOM 0 HA ALA A 19 1.586 -7.462 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.625 -6.015 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.093 -7.723 -0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.361 -6.882 -2.377 1.00 0.00 H new ATOM 302 N ALA A 20 2.474 -6.253 -4.107 1.00 0.00 N ATOM 303 CA ALA A 20 2.033 -5.404 -5.195 1.00 0.00 C ATOM 304 C ALA A 20 0.830 -6.069 -5.841 1.00 0.00 C ATOM 305 O ALA A 20 -0.002 -5.373 -6.397 1.00 0.00 O ATOM 306 CB ALA A 20 3.170 -5.233 -6.198 1.00 0.00 C ATOM 0 H ALA A 20 3.363 -6.722 -4.279 1.00 0.00 H new ATOM 0 HA ALA A 20 1.753 -4.414 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.840 -4.594 -7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.026 -4.774 -5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.458 -6.208 -6.591 1.00 0.00 H new ATOM 312 N LEU A 21 0.715 -7.397 -5.767 1.00 0.00 N ATOM 313 CA LEU A 21 -0.472 -8.107 -6.220 1.00 0.00 C ATOM 314 C LEU A 21 -1.667 -7.541 -5.457 1.00 0.00 C ATOM 315 O LEU A 21 -2.636 -7.119 -6.082 1.00 0.00 O ATOM 316 CB LEU A 21 -0.303 -9.601 -5.968 1.00 0.00 C ATOM 317 CG LEU A 21 -1.254 -10.428 -6.831 1.00 0.00 C ATOM 318 CD1 LEU A 21 -0.880 -11.899 -6.692 1.00 0.00 C ATOM 319 CD2 LEU A 21 -2.701 -10.249 -6.378 1.00 0.00 C ATOM 0 H LEU A 21 1.443 -8.005 -5.391 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.629 -7.974 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.726 -9.892 -6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.486 -9.816 -4.915 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.167 -10.095 -7.865 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.550 -12.504 -7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.147 -12.046 -7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.969 -12.200 -5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.357 -10.849 -7.009 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.800 -10.572 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.980 -9.199 -6.459 1.00 0.00 H new ATOM 331 N PHE A 22 -1.544 -7.508 -4.122 1.00 0.00 N ATOM 332 CA PHE A 22 -2.442 -6.877 -3.152 1.00 0.00 C ATOM 333 C PHE A 22 -2.807 -5.497 -3.684 1.00 0.00 C ATOM 334 O PHE A 22 -3.955 -5.267 -4.073 1.00 0.00 O ATOM 335 CB PHE A 22 -1.660 -6.810 -1.827 1.00 0.00 C ATOM 336 CG PHE A 22 -2.176 -6.008 -0.644 1.00 0.00 C ATOM 337 CD1 PHE A 22 -2.964 -4.853 -0.804 1.00 0.00 C ATOM 338 CD2 PHE A 22 -1.637 -6.298 0.623 1.00 0.00 C ATOM 339 CE1 PHE A 22 -3.247 -4.024 0.295 1.00 0.00 C ATOM 340 CE2 PHE A 22 -1.910 -5.467 1.724 1.00 0.00 C ATOM 341 CZ PHE A 22 -2.727 -4.335 1.562 1.00 0.00 C ATOM 0 H PHE A 22 -0.753 -7.957 -3.660 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.371 -7.424 -2.993 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.530 -7.836 -1.483 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.668 -6.425 -2.063 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.354 -4.602 -1.779 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.008 -7.167 0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.865 -3.148 0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.492 -5.698 2.693 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.954 -3.706 2.410 1.00 0.00 H new ATOM 351 N VAL A 23 -1.829 -4.585 -3.710 1.00 0.00 N ATOM 352 CA VAL A 23 -2.058 -3.222 -4.164 1.00 0.00 C ATOM 353 C VAL A 23 -2.769 -3.212 -5.517 1.00 0.00 C ATOM 354 O VAL A 23 -3.644 -2.393 -5.775 1.00 0.00 O ATOM 355 CB VAL A 23 -0.734 -2.450 -4.276 1.00 0.00 C ATOM 356 CG1 VAL A 23 0.298 -2.797 -3.210 1.00 0.00 C ATOM 357 CG2 VAL A 23 -0.176 -2.498 -5.694 1.00 0.00 C ATOM 0 H VAL A 23 -0.870 -4.774 -3.419 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.692 -2.732 -3.425 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.982 -1.411 -4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.199 -2.204 -3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.111 -2.579 -2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.545 -3.857 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.760 -1.942 -5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.005 -3.534 -5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.894 -2.052 -6.383 1.00 0.00 H new ATOM 367 N GLN A 24 -2.352 -4.116 -6.397 1.00 0.00 N ATOM 368 CA GLN A 24 -2.774 -4.233 -7.765 1.00 0.00 C ATOM 369 C GLN A 24 -4.206 -4.709 -7.847 1.00 0.00 C ATOM 370 O GLN A 24 -4.892 -4.273 -8.750 1.00 0.00 O ATOM 371 CB GLN A 24 -1.791 -5.130 -8.514 1.00 0.00 C ATOM 372 CG GLN A 24 -2.274 -5.380 -9.938 1.00 0.00 C ATOM 373 CD GLN A 24 -3.057 -6.662 -10.083 1.00 0.00 C ATOM 374 OE1 GLN A 24 -3.585 -6.940 -11.155 1.00 0.00 O ATOM 375 NE2 GLN A 24 -3.205 -7.414 -9.002 1.00 0.00 N ATOM 0 H GLN A 24 -1.666 -4.827 -6.145 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.762 -3.257 -8.250 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.806 -4.663 -8.535 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.683 -6.079 -7.989 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.896 -4.544 -10.256 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.414 -5.409 -10.607 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.749 -7.148 -8.129 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.775 -8.259 -9.043 1.00 0.00 H new ATOM 384 N GLU A 25 -4.671 -5.572 -6.948 1.00 0.00 N ATOM 385 CA GLU A 25 -6.057 -6.007 -6.930 1.00 0.00 C ATOM 386 C GLU A 25 -6.895 -4.846 -6.426 1.00 0.00 C ATOM 387 O GLU A 25 -7.957 -4.561 -6.972 1.00 0.00 O ATOM 388 CB GLU A 25 -6.189 -7.208 -6.005 1.00 0.00 C ATOM 389 CG GLU A 25 -5.285 -8.336 -6.473 1.00 0.00 C ATOM 390 CD GLU A 25 -5.861 -9.025 -7.700 1.00 0.00 C ATOM 391 OE1 GLU A 25 -7.104 -9.152 -7.749 1.00 0.00 O ATOM 392 OE2 GLU A 25 -5.050 -9.399 -8.574 1.00 0.00 O ATOM 0 H GLU A 25 -4.096 -5.986 -6.215 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.395 -6.302 -7.924 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.927 -6.922 -4.986 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.225 -7.548 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.296 -7.941 -6.704 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.159 -9.062 -5.670 1.00 0.00 H new ATOM 399 N ALA A 26 -6.398 -4.159 -5.398 1.00 0.00 N ATOM 400 CA ALA A 26 -7.025 -2.927 -4.944 1.00 0.00 C ATOM 401 C ALA A 26 -7.169 -1.980 -6.143 1.00 0.00 C ATOM 402 O ALA A 26 -8.221 -1.389 -6.374 1.00 0.00 O ATOM 403 CB ALA A 26 -6.137 -2.304 -3.874 1.00 0.00 C ATOM 0 H ALA A 26 -5.570 -4.435 -4.870 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.012 -3.119 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.589 -1.378 -3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.030 -2.998 -3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.155 -2.090 -4.296 1.00 0.00 H new ATOM 409 N ASN A 27 -6.089 -1.881 -6.922 1.00 0.00 N ATOM 410 CA ASN A 27 -5.986 -1.111 -8.149 1.00 0.00 C ATOM 411 C ASN A 27 -6.962 -1.590 -9.209 1.00 0.00 C ATOM 412 O ASN A 27 -7.582 -0.803 -9.916 1.00 0.00 O ATOM 413 CB ASN A 27 -4.626 -1.429 -8.763 1.00 0.00 C ATOM 414 CG ASN A 27 -3.598 -0.331 -8.555 1.00 0.00 C ATOM 415 OD1 ASN A 27 -2.675 -0.564 -7.632 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 -3.632 0.702 -9.213 1.00 0.00 N flip ATOM 0 H ASN A 27 -5.220 -2.365 -6.695 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.162 -0.066 -7.895 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.249 -2.356 -8.331 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.750 -1.602 -9.832 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.362 0.837 -9.913 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.931 1.427 -9.061 1.00 0.00 H new ATOM 423 N ARG A 28 -7.035 -2.915 -9.295 1.00 0.00 N ATOM 424 CA ARG A 28 -7.697 -3.758 -10.266 1.00 0.00 C ATOM 425 C ARG A 28 -9.122 -3.324 -10.530 1.00 0.00 C ATOM 426 O ARG A 28 -9.631 -3.511 -11.632 1.00 0.00 O ATOM 427 CB ARG A 28 -7.628 -5.177 -9.708 1.00 0.00 C ATOM 428 CG ARG A 28 -6.405 -5.917 -10.240 1.00 0.00 C ATOM 429 CD ARG A 28 -6.629 -6.418 -11.665 1.00 0.00 C ATOM 430 NE ARG A 28 -6.872 -5.293 -12.570 1.00 0.00 N ATOM 431 CZ ARG A 28 -5.905 -4.463 -12.980 1.00 0.00 C ATOM 432 NH1 ARG A 28 -4.625 -4.738 -12.703 1.00 0.00 N ATOM 433 NH2 ARG A 28 -6.234 -3.358 -13.653 1.00 0.00 N ATOM 0 H ARG A 28 -6.569 -3.488 -8.592 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.203 -3.691 -11.236 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.590 -5.142 -8.619 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.533 -5.722 -9.978 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.540 -5.254 -10.218 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.177 -6.761 -9.588 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.758 -6.981 -12.000 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.478 -7.101 -11.688 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.823 -5.134 -12.904 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.386 -5.580 -12.179 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.888 -4.106 -13.015 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.214 -3.153 -13.850 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.506 -2.718 -13.970 1.00 0.00 H new ATOM 447 N PHE A 29 -9.760 -2.750 -9.518 1.00 0.00 N ATOM 448 CA PHE A 29 -11.083 -2.229 -9.702 1.00 0.00 C ATOM 449 C PHE A 29 -11.013 -0.750 -10.060 1.00 0.00 C ATOM 450 O PHE A 29 -10.881 -0.410 -11.231 1.00 0.00 O ATOM 451 CB PHE A 29 -11.904 -2.538 -8.460 1.00 0.00 C ATOM 452 CG PHE A 29 -12.203 -4.012 -8.351 1.00 0.00 C ATOM 453 CD1 PHE A 29 -12.730 -4.701 -9.457 1.00 0.00 C ATOM 454 CD2 PHE A 29 -11.841 -4.719 -7.196 1.00 0.00 C ATOM 455 CE1 PHE A 29 -12.934 -6.088 -9.390 1.00 0.00 C ATOM 456 CE2 PHE A 29 -12.135 -6.091 -7.094 1.00 0.00 C ATOM 457 CZ PHE A 29 -12.646 -6.784 -8.203 1.00 0.00 C ATOM 0 H PHE A 29 -9.379 -2.640 -8.578 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.589 -2.707 -10.541 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.363 -2.208 -7.573 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.838 -1.977 -8.490 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.978 -4.162 -10.360 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.338 -4.212 -6.386 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.312 -6.620 -10.250 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.968 -6.611 -6.162 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.817 -7.849 -8.144 1.00 0.00 H new ATOM 467 N THR A 30 -11.133 0.131 -9.069 1.00 0.00 N ATOM 468 CA THR A 30 -11.154 1.570 -9.303 1.00 0.00 C ATOM 469 C THR A 30 -10.859 2.320 -8.009 1.00 0.00 C ATOM 470 O THR A 30 -9.951 3.142 -7.933 1.00 0.00 O ATOM 471 CB THR A 30 -12.552 1.960 -9.785 1.00 0.00 C ATOM 472 OG1 THR A 30 -13.522 1.243 -9.040 1.00 0.00 O ATOM 473 CG2 THR A 30 -12.738 1.670 -11.270 1.00 0.00 C ATOM 0 H THR A 30 -11.218 -0.132 -8.087 1.00 0.00 H new ATOM 0 HA THR A 30 -10.399 1.827 -10.046 1.00 0.00 H new ATOM 0 HB THR A 30 -12.674 3.033 -9.634 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.594 0.330 -9.390 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.743 1.961 -11.574 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.006 2.237 -11.846 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.597 0.605 -11.453 1.00 0.00 H new ATOM 481 N SER A 31 -11.695 2.007 -7.018 1.00 0.00 N ATOM 482 CA SER A 31 -11.778 2.461 -5.655 1.00 0.00 C ATOM 483 C SER A 31 -10.514 3.032 -5.033 1.00 0.00 C ATOM 484 O SER A 31 -9.413 2.521 -5.231 1.00 0.00 O ATOM 485 CB SER A 31 -12.233 1.236 -4.867 1.00 0.00 C ATOM 486 OG SER A 31 -13.260 0.560 -5.582 1.00 0.00 O ATOM 0 H SER A 31 -12.433 1.326 -7.197 1.00 0.00 H new ATOM 0 HA SER A 31 -12.457 3.314 -5.630 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.390 0.565 -4.701 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.598 1.538 -3.885 1.00 0.00 H new ATOM 0 HG SER A 31 -13.127 -0.408 -5.508 1.00 0.00 H new ATOM 492 N ASP A 32 -10.707 4.058 -4.197 1.00 0.00 N ATOM 493 CA ASP A 32 -9.640 4.620 -3.392 1.00 0.00 C ATOM 494 C ASP A 32 -9.369 3.575 -2.321 1.00 0.00 C ATOM 495 O ASP A 32 -9.944 3.614 -1.237 1.00 0.00 O ATOM 496 CB ASP A 32 -10.093 5.940 -2.768 1.00 0.00 C ATOM 497 CG ASP A 32 -10.412 7.002 -3.808 1.00 0.00 C ATOM 498 OD1 ASP A 32 -9.446 7.595 -4.331 1.00 0.00 O ATOM 499 OD2 ASP A 32 -11.623 7.198 -4.059 1.00 0.00 O ATOM 0 H ASP A 32 -11.609 4.515 -4.066 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.746 4.841 -3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.976 5.763 -2.153 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.312 6.310 -2.104 1.00 0.00 H new ATOM 504 N VAL A 33 -8.602 2.557 -2.683 1.00 0.00 N ATOM 505 CA VAL A 33 -8.338 1.438 -1.812 1.00 0.00 C ATOM 506 C VAL A 33 -7.352 1.841 -0.738 1.00 0.00 C ATOM 507 O VAL A 33 -6.461 2.661 -0.957 1.00 0.00 O ATOM 508 CB VAL A 33 -7.838 0.262 -2.636 1.00 0.00 C ATOM 509 CG1 VAL A 33 -8.864 0.012 -3.738 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.476 0.636 -3.207 1.00 0.00 C ATOM 0 H VAL A 33 -8.147 2.490 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.255 1.129 -1.311 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.724 -0.647 -2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.540 -0.827 -4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -9.831 -0.218 -3.290 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.955 0.903 -4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.092 -0.191 -3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.575 1.521 -3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.785 0.846 -2.391 1.00 0.00 H new ATOM 520 N PHE A 34 -7.482 1.229 0.423 1.00 0.00 N ATOM 521 CA PHE A 34 -6.636 1.588 1.533 1.00 0.00 C ATOM 522 C PHE A 34 -6.252 0.384 2.366 1.00 0.00 C ATOM 523 O PHE A 34 -6.873 -0.671 2.288 1.00 0.00 O ATOM 524 CB PHE A 34 -7.347 2.619 2.417 1.00 0.00 C ATOM 525 CG PHE A 34 -7.633 3.945 1.745 1.00 0.00 C ATOM 526 CD1 PHE A 34 -6.584 4.641 1.122 1.00 0.00 C ATOM 527 CD2 PHE A 34 -8.943 4.453 1.683 1.00 0.00 C ATOM 528 CE1 PHE A 34 -6.841 5.817 0.399 1.00 0.00 C ATOM 529 CE2 PHE A 34 -9.202 5.627 0.950 1.00 0.00 C ATOM 530 CZ PHE A 34 -8.153 6.310 0.313 1.00 0.00 C ATOM 0 H PHE A 34 -8.158 0.490 0.617 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.721 2.015 1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.289 2.192 2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.736 2.801 3.301 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.573 4.269 1.200 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.747 3.945 2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.032 6.341 -0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.212 6.004 0.877 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.355 7.214 -0.243 1.00 0.00 H new ATOM 540 N LEU A 35 -5.199 0.555 3.151 1.00 0.00 N ATOM 541 CA LEU A 35 -4.816 -0.406 4.156 1.00 0.00 C ATOM 542 C LEU A 35 -4.595 0.413 5.413 1.00 0.00 C ATOM 543 O LEU A 35 -3.890 1.417 5.356 1.00 0.00 O ATOM 544 CB LEU A 35 -3.573 -1.182 3.747 1.00 0.00 C ATOM 545 CG LEU A 35 -3.451 -2.385 4.676 1.00 0.00 C ATOM 546 CD1 LEU A 35 -4.587 -3.358 4.365 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.102 -3.073 4.487 1.00 0.00 C ATOM 0 H LEU A 35 -4.588 1.370 3.103 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.580 -1.169 4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.649 -1.506 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.687 -0.551 3.820 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.518 -2.054 5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.514 -4.225 5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.545 -2.862 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.514 -3.682 3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.033 -3.929 5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.008 -3.412 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.300 -2.370 4.712 1.00 0.00 H new ATOM 559 N GLU A 36 -5.254 0.029 6.501 1.00 0.00 N ATOM 560 CA GLU A 36 -5.266 0.790 7.738 1.00 0.00 C ATOM 561 C GLU A 36 -4.734 -0.059 8.891 1.00 0.00 C ATOM 562 O GLU A 36 -5.528 -0.721 9.553 1.00 0.00 O ATOM 563 CB GLU A 36 -6.714 1.200 8.020 1.00 0.00 C ATOM 564 CG GLU A 36 -7.404 1.642 6.732 1.00 0.00 C ATOM 565 CD GLU A 36 -8.776 2.223 7.021 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.707 1.414 7.217 1.00 0.00 O ATOM 567 OE2 GLU A 36 -8.874 3.467 7.022 1.00 0.00 O ATOM 0 H GLU A 36 -5.801 -0.831 6.546 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.628 1.669 7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.256 0.364 8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.733 2.012 8.747 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.790 2.385 6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.500 0.792 6.057 1.00 0.00 H new ATOM 574 N LYS A 37 -3.426 -0.044 9.155 1.00 0.00 N ATOM 575 CA LYS A 37 -2.781 -0.810 10.216 1.00 0.00 C ATOM 576 C LYS A 37 -3.369 -0.431 11.564 1.00 0.00 C ATOM 577 O LYS A 37 -2.904 0.527 12.181 1.00 0.00 O ATOM 578 CB LYS A 37 -1.294 -0.476 10.232 1.00 0.00 C ATOM 579 CG LYS A 37 -0.588 -0.902 8.950 1.00 0.00 C ATOM 580 CD LYS A 37 0.913 -0.632 9.053 1.00 0.00 C ATOM 581 CE LYS A 37 1.547 -1.319 10.267 1.00 0.00 C ATOM 582 NZ LYS A 37 1.414 -0.523 11.499 1.00 0.00 N ATOM 0 H LYS A 37 -2.768 0.521 8.617 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.938 -1.873 10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.167 0.597 10.374 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.823 -0.968 11.083 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.761 -1.962 8.767 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.004 -0.360 8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.405 -0.979 8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.083 0.443 9.117 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.079 -2.292 10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.603 -1.500 10.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.359 -0.299 11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.907 0.360 11.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.882 -1.067 12.208 1.00 0.00 H new ATOM 596 N ASP A 38 -4.417 -1.131 12.000 1.00 0.00 N ATOM 597 CA ASP A 38 -5.152 -0.783 13.205 1.00 0.00 C ATOM 598 C ASP A 38 -5.593 0.680 13.105 1.00 0.00 C ATOM 599 O ASP A 38 -5.675 1.374 14.116 1.00 0.00 O ATOM 600 CB ASP A 38 -4.264 -0.983 14.433 1.00 0.00 C ATOM 601 CG ASP A 38 -3.881 -2.440 14.650 1.00 0.00 C ATOM 602 OD1 ASP A 38 -3.008 -2.933 13.900 1.00 0.00 O ATOM 603 OD2 ASP A 38 -4.462 -3.039 15.579 1.00 0.00 O ATOM 0 H ASP A 38 -4.777 -1.957 11.522 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.028 -1.425 13.305 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.359 -0.386 14.323 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.784 -0.613 15.317 1.00 0.00 H new ATOM 608 N GLY A 39 -5.845 1.168 11.885 1.00 0.00 N ATOM 609 CA GLY A 39 -6.169 2.571 11.706 1.00 0.00 C ATOM 610 C GLY A 39 -5.125 3.312 10.866 1.00 0.00 C ATOM 611 O GLY A 39 -5.434 4.343 10.272 1.00 0.00 O ATOM 0 H GLY A 39 -5.829 0.617 11.027 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.144 2.657 11.226 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.251 3.049 12.682 1.00 0.00 H new ATOM 615 N LYS A 40 -3.888 2.807 10.788 1.00 0.00 N ATOM 616 CA LYS A 40 -2.828 3.435 10.017 1.00 0.00 C ATOM 617 C LYS A 40 -3.106 3.213 8.537 1.00 0.00 C ATOM 618 O LYS A 40 -2.595 2.267 7.945 1.00 0.00 O ATOM 619 CB LYS A 40 -1.485 2.824 10.417 1.00 0.00 C ATOM 620 CG LYS A 40 -1.271 2.889 11.930 1.00 0.00 C ATOM 621 CD LYS A 40 -1.483 4.313 12.439 1.00 0.00 C ATOM 622 CE LYS A 40 -0.506 5.261 11.747 1.00 0.00 C ATOM 623 NZ LYS A 40 -0.733 6.654 12.165 1.00 0.00 N ATOM 0 H LYS A 40 -3.602 1.950 11.261 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.791 4.506 10.214 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.443 1.786 10.086 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.678 3.353 9.911 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.962 2.211 12.431 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.263 2.555 12.175 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.508 4.629 12.247 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.336 4.349 13.518 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.517 4.969 11.983 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.619 5.179 10.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.056 7.277 11.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.703 6.937 11.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.601 6.734 13.194 1.00 0.00 H new ATOM 637 N LYS A 41 -3.959 4.049 7.958 1.00 0.00 N ATOM 638 CA LYS A 41 -4.418 3.861 6.598 1.00 0.00 C ATOM 639 C LYS A 41 -3.655 4.649 5.537 1.00 0.00 C ATOM 640 O LYS A 41 -3.278 5.803 5.727 1.00 0.00 O ATOM 641 CB LYS A 41 -5.915 4.154 6.586 1.00 0.00 C ATOM 642 CG LYS A 41 -6.472 4.524 5.213 1.00 0.00 C ATOM 643 CD LYS A 41 -6.263 6.022 4.994 1.00 0.00 C ATOM 644 CE LYS A 41 -6.787 6.409 3.615 1.00 0.00 C ATOM 645 NZ LYS A 41 -6.669 7.857 3.384 1.00 0.00 N ATOM 0 H LYS A 41 -4.347 4.871 8.420 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.216 2.830 6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.448 3.279 6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.119 4.969 7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.968 3.953 4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.532 4.277 5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.783 6.590 5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.204 6.269 5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.231 5.870 2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.831 6.108 3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.034 8.088 2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.220 8.369 4.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.670 8.139 3.448 1.00 0.00 H new ATOM 659 N VAL A 42 -3.506 4.002 4.381 1.00 0.00 N ATOM 660 CA VAL A 42 -2.894 4.529 3.168 1.00 0.00 C ATOM 661 C VAL A 42 -3.553 3.925 1.943 1.00 0.00 C ATOM 662 O VAL A 42 -4.305 2.959 2.055 1.00 0.00 O ATOM 663 CB VAL A 42 -1.406 4.195 3.114 1.00 0.00 C ATOM 664 CG1 VAL A 42 -0.626 5.119 4.037 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.204 2.726 3.484 1.00 0.00 C ATOM 0 H VAL A 42 -3.829 3.042 4.263 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.027 5.611 3.180 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.029 4.349 2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.434 4.871 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.771 6.153 3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.982 4.997 5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.142 2.484 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.581 2.549 4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.745 2.095 2.778 1.00 0.00 H new ATOM 675 N ASN A 43 -3.278 4.498 0.768 1.00 0.00 N ATOM 676 CA ASN A 43 -3.809 3.995 -0.488 1.00 0.00 C ATOM 677 C ASN A 43 -3.172 2.655 -0.803 1.00 0.00 C ATOM 678 O ASN A 43 -2.055 2.584 -1.306 1.00 0.00 O ATOM 679 CB ASN A 43 -3.580 4.997 -1.616 1.00 0.00 C ATOM 680 CG ASN A 43 -4.108 4.480 -2.950 1.00 0.00 C ATOM 681 OD1 ASN A 43 -3.392 4.472 -3.943 1.00 0.00 O ATOM 682 ND2 ASN A 43 -5.356 4.033 -3.006 1.00 0.00 N ATOM 0 H ASN A 43 -2.683 5.320 0.668 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.886 3.858 -0.393 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.072 5.938 -1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.514 5.207 -1.704 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.731 3.676 -3.885 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.940 4.046 -2.170 1.00 0.00 H new ATOM 689 N ALA A 44 -3.945 1.611 -0.526 1.00 0.00 N ATOM 690 CA ALA A 44 -3.593 0.209 -0.654 1.00 0.00 C ATOM 691 C ALA A 44 -2.959 -0.135 -1.998 1.00 0.00 C ATOM 692 O ALA A 44 -2.070 -0.978 -2.071 1.00 0.00 O ATOM 693 CB ALA A 44 -4.866 -0.615 -0.482 1.00 0.00 C ATOM 0 H ALA A 44 -4.898 1.734 -0.183 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.850 -0.017 0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.629 -1.675 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.294 -0.423 0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.586 -0.336 -1.251 1.00 0.00 H new ATOM 699 N LYS A 45 -3.435 0.504 -3.064 1.00 0.00 N ATOM 700 CA LYS A 45 -2.963 0.248 -4.413 1.00 0.00 C ATOM 701 C LYS A 45 -1.657 0.976 -4.747 1.00 0.00 C ATOM 702 O LYS A 45 -1.013 0.651 -5.743 1.00 0.00 O ATOM 703 CB LYS A 45 -4.072 0.620 -5.392 1.00 0.00 C ATOM 704 CG LYS A 45 -4.547 2.053 -5.184 1.00 0.00 C ATOM 705 CD LYS A 45 -5.509 2.406 -6.312 1.00 0.00 C ATOM 706 CE LYS A 45 -6.685 1.427 -6.306 1.00 0.00 C ATOM 707 NZ LYS A 45 -7.541 1.586 -7.493 1.00 0.00 N ATOM 0 H LYS A 45 -4.163 1.217 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.726 -0.813 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.711 0.500 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.912 -0.064 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.042 2.153 -4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.699 2.738 -5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.871 3.427 -6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.992 2.364 -7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.306 0.406 -6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.281 1.581 -5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.001 0.680 -7.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.267 2.306 -7.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.960 1.885 -8.302 1.00 0.00 H new ATOM 721 N SER A 46 -1.283 1.976 -3.951 1.00 0.00 N ATOM 722 CA SER A 46 -0.059 2.729 -4.155 1.00 0.00 C ATOM 723 C SER A 46 1.061 2.285 -3.226 1.00 0.00 C ATOM 724 O SER A 46 0.830 1.598 -2.237 1.00 0.00 O ATOM 725 CB SER A 46 -0.312 4.204 -3.882 1.00 0.00 C ATOM 726 OG SER A 46 -0.927 4.805 -4.998 1.00 0.00 O ATOM 0 H SER A 46 -1.827 2.284 -3.145 1.00 0.00 H new ATOM 0 HA SER A 46 0.244 2.553 -5.187 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.947 4.315 -3.003 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.629 4.707 -3.661 1.00 0.00 H new ATOM 0 HG SER A 46 -1.890 4.887 -4.836 1.00 0.00 H new ATOM 732 N ILE A 47 2.276 2.757 -3.519 1.00 0.00 N ATOM 733 CA ILE A 47 3.493 2.504 -2.756 1.00 0.00 C ATOM 734 C ILE A 47 3.308 2.674 -1.252 1.00 0.00 C ATOM 735 O ILE A 47 3.731 1.836 -0.467 1.00 0.00 O ATOM 736 CB ILE A 47 4.595 3.456 -3.227 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.924 3.008 -2.603 1.00 0.00 C ATOM 738 CG2 ILE A 47 4.240 4.902 -2.847 1.00 0.00 C ATOM 739 CD1 ILE A 47 6.138 3.610 -1.214 1.00 0.00 C ATOM 0 H ILE A 47 2.441 3.352 -4.331 1.00 0.00 H new ATOM 0 HA ILE A 47 3.763 1.463 -2.934 1.00 0.00 H new ATOM 0 HB ILE A 47 4.691 3.425 -4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.943 1.920 -2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.747 3.300 -3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.030 5.572 -3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.299 5.182 -3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.139 4.979 -1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.090 3.266 -0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.146 4.698 -1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.330 3.296 -0.553 1.00 0.00 H new ATOM 751 N MET A 48 2.710 3.777 -0.819 1.00 0.00 N ATOM 752 CA MET A 48 2.591 4.000 0.602 1.00 0.00 C ATOM 753 C MET A 48 1.624 2.996 1.231 1.00 0.00 C ATOM 754 O MET A 48 1.714 2.710 2.425 1.00 0.00 O ATOM 755 CB MET A 48 2.236 5.464 0.830 1.00 0.00 C ATOM 756 CG MET A 48 1.979 5.726 2.313 1.00 0.00 C ATOM 757 SD MET A 48 1.571 7.440 2.713 1.00 0.00 S ATOM 758 CE MET A 48 3.055 8.235 2.067 1.00 0.00 C ATOM 0 H MET A 48 2.314 4.505 -1.414 1.00 0.00 H new ATOM 0 HA MET A 48 3.536 3.819 1.114 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.047 6.101 0.477 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.351 5.725 0.250 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.163 5.085 2.646 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.864 5.435 2.879 1.00 0.00 H new ATOM 0 HE1 MET A 48 3.196 9.198 2.559 1.00 0.00 H new ATOM 0 HE2 MET A 48 3.920 7.600 2.258 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.947 8.388 0.993 1.00 0.00 H new ATOM 768 N GLY A 49 0.716 2.436 0.433 1.00 0.00 N ATOM 769 CA GLY A 49 -0.102 1.352 0.905 1.00 0.00 C ATOM 770 C GLY A 49 0.793 0.123 0.902 1.00 0.00 C ATOM 771 O GLY A 49 1.085 -0.399 1.966 1.00 0.00 O ATOM 0 H GLY A 49 0.539 2.720 -0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.482 1.556 1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.968 1.206 0.259 1.00 0.00 H new ATOM 775 N LEU A 50 1.280 -0.294 -0.270 1.00 0.00 N ATOM 776 CA LEU A 50 2.149 -1.437 -0.464 1.00 0.00 C ATOM 777 C LEU A 50 3.381 -1.436 0.437 1.00 0.00 C ATOM 778 O LEU A 50 3.458 -2.153 1.428 1.00 0.00 O ATOM 779 CB LEU A 50 2.565 -1.436 -1.939 1.00 0.00 C ATOM 780 CG LEU A 50 3.692 -2.412 -2.283 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.382 -3.840 -1.851 1.00 0.00 C ATOM 782 CD2 LEU A 50 3.896 -2.383 -3.793 1.00 0.00 C ATOM 0 H LEU A 50 1.064 0.185 -1.144 1.00 0.00 H new ATOM 0 HA LEU A 50 1.602 -2.340 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.694 -1.677 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.878 -0.429 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 50 4.588 -2.100 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.215 -4.490 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.232 -3.869 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.477 -4.184 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.696 -3.072 -4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.974 -2.683 -4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.165 -1.374 -4.105 1.00 0.00 H new ATOM 794 N MET A 51 4.369 -0.643 0.048 1.00 0.00 N ATOM 795 CA MET A 51 5.672 -0.595 0.658 1.00 0.00 C ATOM 796 C MET A 51 5.644 0.074 2.025 1.00 0.00 C ATOM 797 O MET A 51 6.451 -0.270 2.882 1.00 0.00 O ATOM 798 CB MET A 51 6.594 0.187 -0.280 1.00 0.00 C ATOM 799 CG MET A 51 8.013 0.199 0.281 1.00 0.00 C ATOM 800 SD MET A 51 8.776 1.835 0.257 1.00 0.00 S ATOM 801 CE MET A 51 7.622 2.680 1.359 1.00 0.00 C ATOM 0 H MET A 51 4.272 0.006 -0.732 1.00 0.00 H new ATOM 0 HA MET A 51 6.028 -1.613 0.812 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.589 -0.267 -1.271 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.230 1.208 -0.395 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.994 -0.171 1.306 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.630 -0.491 -0.295 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.744 3.758 1.256 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.601 2.404 1.097 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.824 2.388 2.390 1.00 0.00 H new ATOM 811 N SER A 52 4.781 1.071 2.225 1.00 0.00 N ATOM 812 CA SER A 52 4.797 1.771 3.495 1.00 0.00 C ATOM 813 C SER A 52 4.053 1.028 4.602 1.00 0.00 C ATOM 814 O SER A 52 4.670 0.438 5.481 1.00 0.00 O ATOM 815 CB SER A 52 4.277 3.199 3.337 1.00 0.00 C ATOM 816 OG SER A 52 4.951 3.860 2.284 1.00 0.00 O ATOM 0 H SER A 52 4.090 1.397 1.549 1.00 0.00 H new ATOM 0 HA SER A 52 5.839 1.814 3.811 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.206 3.182 3.136 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.418 3.748 4.268 1.00 0.00 H new ATOM 0 HG SER A 52 4.991 4.821 2.473 1.00 0.00 H new ATOM 822 N LEU A 53 2.723 1.087 4.602 1.00 0.00 N ATOM 823 CA LEU A 53 1.959 0.541 5.712 1.00 0.00 C ATOM 824 C LEU A 53 1.788 -0.969 5.609 1.00 0.00 C ATOM 825 O LEU A 53 2.104 -1.705 6.546 1.00 0.00 O ATOM 826 CB LEU A 53 0.622 1.273 5.809 1.00 0.00 C ATOM 827 CG LEU A 53 0.834 2.726 6.246 1.00 0.00 C ATOM 828 CD1 LEU A 53 1.598 3.547 5.212 1.00 0.00 C ATOM 829 CD2 LEU A 53 -0.524 3.384 6.402 1.00 0.00 C ATOM 0 H LEU A 53 2.163 1.501 3.857 1.00 0.00 H new ATOM 0 HA LEU A 53 2.515 0.705 6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.116 1.248 4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.027 0.764 6.522 1.00 0.00 H new ATOM 0 HG LEU A 53 1.408 2.701 7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.719 4.568 5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.579 3.102 5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.043 3.559 4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.393 4.420 6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.054 3.355 5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.103 2.850 7.155 1.00 0.00 H new ATOM 841 N ALA A 54 1.310 -1.429 4.454 1.00 0.00 N ATOM 842 CA ALA A 54 1.068 -2.827 4.141 1.00 0.00 C ATOM 843 C ALA A 54 2.336 -3.675 4.193 1.00 0.00 C ATOM 844 O ALA A 54 2.234 -4.897 4.191 1.00 0.00 O ATOM 845 CB ALA A 54 0.386 -2.941 2.784 1.00 0.00 C ATOM 0 H ALA A 54 1.072 -0.807 3.681 1.00 0.00 H new ATOM 0 HA ALA A 54 0.408 -3.225 4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.207 -3.991 2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.564 -2.408 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.027 -2.506 2.017 1.00 0.00 H new ATOM 851 N VAL A 55 3.517 -3.066 4.293 1.00 0.00 N ATOM 852 CA VAL A 55 4.738 -3.823 4.497 1.00 0.00 C ATOM 853 C VAL A 55 4.804 -4.361 5.938 1.00 0.00 C ATOM 854 O VAL A 55 5.678 -5.150 6.294 1.00 0.00 O ATOM 855 CB VAL A 55 5.947 -2.959 4.134 1.00 0.00 C ATOM 856 CG1 VAL A 55 6.294 -1.997 5.267 1.00 0.00 C ATOM 857 CG2 VAL A 55 7.145 -3.863 3.857 1.00 0.00 C ATOM 0 H VAL A 55 3.648 -2.056 4.236 1.00 0.00 H new ATOM 0 HA VAL A 55 4.748 -4.692 3.839 1.00 0.00 H new ATOM 0 HB VAL A 55 5.701 -2.374 3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.157 -1.395 4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.444 -1.343 5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.529 -2.565 6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.010 -3.252 3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.370 -4.451 4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.912 -4.532 3.029 1.00 0.00 H new ATOM 867 N SER A 56 3.872 -3.960 6.805 1.00 0.00 N ATOM 868 CA SER A 56 3.915 -4.405 8.180 1.00 0.00 C ATOM 869 C SER A 56 3.239 -5.759 8.371 1.00 0.00 C ATOM 870 O SER A 56 2.180 -5.841 9.001 1.00 0.00 O ATOM 871 CB SER A 56 3.304 -3.338 9.085 1.00 0.00 C ATOM 872 OG SER A 56 3.794 -2.056 8.737 1.00 0.00 O ATOM 0 H SER A 56 3.096 -3.339 6.576 1.00 0.00 H new ATOM 0 HA SER A 56 4.959 -4.547 8.459 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.218 -3.355 8.996 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.542 -3.555 10.126 1.00 0.00 H new ATOM 0 HG SER A 56 3.360 -1.753 7.912 1.00 0.00 H new ATOM 878 N THR A 57 3.859 -6.812 7.836 1.00 0.00 N ATOM 879 CA THR A 57 3.426 -8.190 7.997 1.00 0.00 C ATOM 880 C THR A 57 2.962 -8.487 9.425 1.00 0.00 C ATOM 881 O THR A 57 3.743 -8.398 10.368 1.00 0.00 O ATOM 882 CB THR A 57 4.593 -9.111 7.657 1.00 0.00 C ATOM 883 OG1 THR A 57 5.277 -8.629 6.520 1.00 0.00 O ATOM 884 CG2 THR A 57 4.054 -10.510 7.388 1.00 0.00 C ATOM 0 H THR A 57 4.699 -6.721 7.264 1.00 0.00 H new ATOM 0 HA THR A 57 2.580 -8.357 7.330 1.00 0.00 H new ATOM 0 HB THR A 57 5.292 -9.141 8.493 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.025 -9.226 6.311 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.880 -11.178 7.144 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.540 -10.879 8.276 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.355 -10.476 6.552 1.00 0.00 H new ATOM 892 N GLY A 58 1.689 -8.844 9.583 1.00 0.00 N ATOM 893 CA GLY A 58 1.116 -9.174 10.876 1.00 0.00 C ATOM 894 C GLY A 58 0.218 -8.072 11.438 1.00 0.00 C ATOM 895 O GLY A 58 -0.497 -8.309 12.407 1.00 0.00 O ATOM 0 H GLY A 58 1.027 -8.911 8.810 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.538 -10.094 10.785 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.922 -9.372 11.583 1.00 0.00 H new ATOM 899 N THR A 59 0.205 -6.881 10.837 1.00 0.00 N ATOM 900 CA THR A 59 -0.604 -5.792 11.364 1.00 0.00 C ATOM 901 C THR A 59 -2.057 -5.976 10.950 1.00 0.00 C ATOM 902 O THR A 59 -2.322 -6.232 9.778 1.00 0.00 O ATOM 903 CB THR A 59 -0.104 -4.447 10.831 1.00 0.00 C ATOM 904 OG1 THR A 59 1.282 -4.299 11.037 1.00 0.00 O ATOM 905 CG2 THR A 59 -0.820 -3.298 11.534 1.00 0.00 C ATOM 0 H THR A 59 0.738 -6.652 9.998 1.00 0.00 H new ATOM 0 HA THR A 59 -0.524 -5.803 12.451 1.00 0.00 H new ATOM 0 HB THR A 59 -0.314 -4.424 9.762 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.767 -4.923 10.457 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.454 -2.348 11.144 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.893 -3.374 11.355 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.626 -3.350 12.605 1.00 0.00 H new ATOM 913 N GLU A 60 -3.007 -5.829 11.876 1.00 0.00 N ATOM 914 CA GLU A 60 -4.405 -5.935 11.498 1.00 0.00 C ATOM 915 C GLU A 60 -4.832 -4.627 10.827 1.00 0.00 C ATOM 916 O GLU A 60 -5.328 -3.688 11.446 1.00 0.00 O ATOM 917 CB GLU A 60 -5.271 -6.363 12.682 1.00 0.00 C ATOM 918 CG GLU A 60 -5.315 -5.294 13.773 1.00 0.00 C ATOM 919 CD GLU A 60 -6.261 -5.690 14.892 1.00 0.00 C ATOM 920 OE1 GLU A 60 -5.950 -6.697 15.563 1.00 0.00 O ATOM 921 OE2 GLU A 60 -7.283 -4.988 15.044 1.00 0.00 O ATOM 0 H GLU A 60 -2.835 -5.642 12.864 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.549 -6.729 10.766 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.284 -6.569 12.335 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.882 -7.292 13.099 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.314 -5.141 14.177 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.634 -4.345 13.343 1.00 0.00 H new ATOM 928 N VAL A 61 -4.575 -4.569 9.531 1.00 0.00 N ATOM 929 CA VAL A 61 -4.839 -3.438 8.679 1.00 0.00 C ATOM 930 C VAL A 61 -6.188 -3.582 7.990 1.00 0.00 C ATOM 931 O VAL A 61 -6.542 -4.646 7.480 1.00 0.00 O ATOM 932 CB VAL A 61 -3.723 -3.341 7.640 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.384 -3.088 8.318 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.578 -4.660 6.888 1.00 0.00 C ATOM 0 H VAL A 61 -4.156 -5.351 9.027 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.869 -2.530 9.281 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.984 -2.527 6.964 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.601 -3.022 7.563 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.430 -2.153 8.876 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.161 -3.908 9.001 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.779 -4.573 6.152 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.337 -5.456 7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.514 -4.895 6.381 1.00 0.00 H new ATOM 944 N THR A 62 -6.950 -2.497 7.966 1.00 0.00 N ATOM 945 CA THR A 62 -8.213 -2.467 7.269 1.00 0.00 C ATOM 946 C THR A 62 -7.955 -2.303 5.783 1.00 0.00 C ATOM 947 O THR A 62 -7.373 -1.300 5.373 1.00 0.00 O ATOM 948 CB THR A 62 -9.028 -1.268 7.730 1.00 0.00 C ATOM 949 OG1 THR A 62 -8.809 -1.002 9.098 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.492 -1.579 7.449 1.00 0.00 C ATOM 0 H THR A 62 -6.705 -1.621 8.429 1.00 0.00 H new ATOM 0 HA THR A 62 -8.752 -3.392 7.473 1.00 0.00 H new ATOM 0 HB THR A 62 -8.726 -0.370 7.191 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.135 -1.755 9.634 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.110 -0.739 7.767 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.630 -1.747 6.381 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.786 -2.474 7.998 1.00 0.00 H new ATOM 958 N LEU A 63 -8.367 -3.269 4.975 1.00 0.00 N ATOM 959 CA LEU A 63 -8.241 -3.106 3.546 1.00 0.00 C ATOM 960 C LEU A 63 -9.564 -2.608 2.981 1.00 0.00 C ATOM 961 O LEU A 63 -10.585 -3.293 3.018 1.00 0.00 O ATOM 962 CB LEU A 63 -7.730 -4.377 2.888 1.00 0.00 C ATOM 963 CG LEU A 63 -6.879 -3.951 1.696 1.00 0.00 C ATOM 964 CD1 LEU A 63 -6.096 -5.157 1.204 1.00 0.00 C ATOM 965 CD2 LEU A 63 -7.747 -3.398 0.569 1.00 0.00 C ATOM 0 H LEU A 63 -8.780 -4.150 5.280 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.488 -2.351 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.141 -4.966 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.560 -5.004 2.564 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.198 -3.160 2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.482 -4.869 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.455 -5.526 2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.789 -5.943 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.113 -3.103 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.448 -4.165 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.301 -2.531 0.928 1.00 0.00 H new ATOM 977 N ILE A 64 -9.528 -1.373 2.500 1.00 0.00 N ATOM 978 CA ILE A 64 -10.637 -0.644 1.933 1.00 0.00 C ATOM 979 C ILE A 64 -10.496 -0.581 0.424 1.00 0.00 C ATOM 980 O ILE A 64 -9.400 -0.689 -0.121 1.00 0.00 O ATOM 981 CB ILE A 64 -10.559 0.799 2.444 1.00 0.00 C ATOM 982 CG1 ILE A 64 -10.653 0.853 3.960 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.665 1.678 1.864 1.00 0.00 C ATOM 984 CD1 ILE A 64 -10.313 2.267 4.409 1.00 0.00 C ATOM 0 H ILE A 64 -8.667 -0.826 2.499 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.571 -1.133 2.208 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.592 1.181 2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.656 0.581 4.288 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.965 0.136 4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.568 2.691 2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.581 1.699 0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.637 1.272 2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -10.374 2.328 5.496 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.302 2.517 4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -11.019 2.969 3.965 1.00 0.00 H new ATOM 996 N ALA A 65 -11.614 -0.351 -0.246 1.00 0.00 N ATOM 997 CA ALA A 65 -11.618 -0.007 -1.648 1.00 0.00 C ATOM 998 C ALA A 65 -12.720 1.006 -1.763 1.00 0.00 C ATOM 999 O ALA A 65 -13.856 0.665 -2.049 1.00 0.00 O ATOM 1000 CB ALA A 65 -11.903 -1.209 -2.531 1.00 0.00 C ATOM 0 H ALA A 65 -12.543 -0.399 0.173 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.649 0.367 -1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.896 -0.902 -3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.137 -1.968 -2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.881 -1.621 -2.280 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.425 2.270 -1.531 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.519 3.200 -1.520 1.00 0.00 C ATOM 1008 C GLN A 66 -13.702 3.803 -2.898 1.00 0.00 C ATOM 1009 O GLN A 66 -13.272 4.922 -3.185 1.00 0.00 O ATOM 1010 CB GLN A 66 -13.314 4.175 -0.365 1.00 0.00 C ATOM 1011 CG GLN A 66 -12.186 5.157 -0.655 1.00 0.00 C ATOM 1012 CD GLN A 66 -12.405 6.498 0.022 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -12.815 7.450 -0.635 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -12.126 6.604 1.317 1.00 0.00 N ATOM 0 H GLN A 66 -11.496 2.653 -1.358 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.477 2.719 -1.323 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -14.238 4.724 -0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -13.089 3.620 0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.241 4.732 -0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.103 5.305 -1.732 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.787 5.793 1.834 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.251 7.497 1.794 1.00 0.00 H new ATOM 1023 N GLY A 67 -14.283 3.013 -3.793 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.511 3.450 -5.152 1.00 0.00 C ATOM 1025 C GLY A 67 -15.618 2.671 -5.843 1.00 0.00 C ATOM 1026 O GLY A 67 -16.501 2.102 -5.206 1.00 0.00 O ATOM 0 H GLY A 67 -14.603 2.065 -3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.765 4.510 -5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.588 3.345 -5.722 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.536 2.651 -7.168 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.511 2.049 -8.058 1.00 0.00 C ATOM 1032 C GLU A 68 -16.737 0.575 -7.778 1.00 0.00 C ATOM 1033 O GLU A 68 -17.873 0.114 -7.823 1.00 0.00 O ATOM 1034 CB GLU A 68 -16.067 2.278 -9.496 1.00 0.00 C ATOM 1035 CG GLU A 68 -15.939 3.784 -9.681 1.00 0.00 C ATOM 1036 CD GLU A 68 -14.497 4.272 -9.704 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -13.920 4.393 -8.599 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -13.992 4.501 -10.822 1.00 0.00 O ATOM 0 H GLU A 68 -14.754 3.073 -7.669 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.474 2.529 -7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.116 1.782 -9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.792 1.863 -10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -16.426 4.070 -10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -16.472 4.288 -8.875 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.681 -0.183 -7.487 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.896 -1.566 -7.132 1.00 0.00 C ATOM 1047 C ASP A 69 -15.551 -1.642 -5.672 1.00 0.00 C ATOM 1048 O ASP A 69 -14.840 -2.553 -5.296 1.00 0.00 O ATOM 1049 CB ASP A 69 -15.050 -2.530 -7.963 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.970 -2.140 -9.435 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -14.079 -1.321 -9.753 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -15.795 -2.662 -10.214 1.00 0.00 O ATOM 0 H ASP A 69 -14.710 0.129 -7.491 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.923 -1.871 -7.333 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.043 -2.570 -7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.468 -3.533 -7.881 1.00 0.00 H new ATOM 1057 N GLU A 70 -15.994 -0.660 -4.876 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.718 -0.496 -3.479 1.00 0.00 C ATOM 1059 C GLU A 70 -15.704 -1.822 -2.748 1.00 0.00 C ATOM 1060 O GLU A 70 -14.643 -2.431 -2.598 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.796 0.445 -2.941 1.00 0.00 C ATOM 1062 CG GLU A 70 -16.710 0.677 -1.435 1.00 0.00 C ATOM 1063 CD GLU A 70 -18.104 0.594 -0.841 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.783 -0.405 -1.168 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -18.468 1.515 -0.082 1.00 0.00 O ATOM 0 H GLU A 70 -16.595 0.082 -5.235 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.724 -0.077 -3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.717 1.404 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -17.777 0.035 -3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.060 -0.068 -0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -16.271 1.653 -1.229 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.886 -2.249 -2.300 1.00 0.00 N ATOM 1073 CA GLN A 71 -17.059 -3.450 -1.522 1.00 0.00 C ATOM 1074 C GLN A 71 -16.296 -4.624 -2.119 1.00 0.00 C ATOM 1075 O GLN A 71 -15.543 -5.272 -1.400 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.553 -3.721 -1.358 1.00 0.00 C ATOM 1077 CG GLN A 71 -18.907 -3.903 0.121 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.622 -5.316 0.606 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -17.371 -5.752 0.534 1.00 0.00 O flip ATOM 1080 NE2 GLN A 71 -19.533 -6.024 1.016 1.00 0.00 N flip ATOM 0 H GLN A 71 -17.759 -1.752 -2.478 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.630 -3.311 -0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -19.127 -2.894 -1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.830 -4.615 -1.917 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -18.337 -3.192 0.720 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -19.962 -3.674 0.272 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -20.484 -5.658 1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -19.341 -6.980 1.315 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.444 -4.862 -3.418 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.822 -5.992 -4.071 1.00 0.00 C ATOM 1091 C GLU A 72 -14.297 -5.946 -3.926 1.00 0.00 C ATOM 1092 O GLU A 72 -13.655 -6.920 -3.528 1.00 0.00 O ATOM 1093 CB GLU A 72 -16.315 -5.966 -5.524 1.00 0.00 C ATOM 1094 CG GLU A 72 -15.218 -5.980 -6.581 1.00 0.00 C ATOM 1095 CD GLU A 72 -15.846 -6.119 -7.957 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -16.409 -5.105 -8.420 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -15.777 -7.241 -8.502 1.00 0.00 O ATOM 0 H GLU A 72 -16.999 -4.274 -4.040 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.101 -6.941 -3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.965 -6.826 -5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.925 -5.074 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.634 -5.061 -6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.531 -6.806 -6.397 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.729 -4.782 -4.229 1.00 0.00 N ATOM 1105 CA ALA A 73 -12.315 -4.515 -4.202 1.00 0.00 C ATOM 1106 C ALA A 73 -11.756 -4.718 -2.800 1.00 0.00 C ATOM 1107 O ALA A 73 -10.814 -5.485 -2.596 1.00 0.00 O ATOM 1108 CB ALA A 73 -12.190 -3.070 -4.670 1.00 0.00 C ATOM 0 H ALA A 73 -14.277 -3.969 -4.512 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.743 -5.190 -4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.139 -2.780 -4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.602 -2.976 -5.675 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.739 -2.419 -3.990 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.365 -4.031 -1.837 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.947 -4.045 -0.450 1.00 0.00 C ATOM 1116 C LEU A 74 -12.012 -5.435 0.160 1.00 0.00 C ATOM 1117 O LEU A 74 -11.062 -5.852 0.815 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.810 -3.054 0.318 1.00 0.00 C ATOM 1119 CG LEU A 74 -14.283 -3.385 0.181 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.805 -4.211 1.347 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -15.022 -2.070 0.034 1.00 0.00 C ATOM 0 H LEU A 74 -13.178 -3.439 -2.009 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.900 -3.749 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.529 -3.064 1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.626 -2.045 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.446 -4.012 -0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.864 -4.420 1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.254 -5.150 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.671 -3.656 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -16.090 -2.262 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.847 -1.454 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.661 -1.547 -0.852 1.00 0.00 H new ATOM 1133 N GLU A 75 -13.113 -6.159 -0.049 1.00 0.00 N ATOM 1134 CA GLU A 75 -13.247 -7.480 0.530 1.00 0.00 C ATOM 1135 C GLU A 75 -12.227 -8.435 -0.075 1.00 0.00 C ATOM 1136 O GLU A 75 -11.539 -9.134 0.670 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.678 -7.989 0.380 1.00 0.00 C ATOM 1138 CG GLU A 75 -15.114 -7.922 -1.081 1.00 0.00 C ATOM 1139 CD GLU A 75 -16.561 -8.339 -1.273 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -17.257 -8.459 -0.241 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -16.948 -8.499 -2.451 1.00 0.00 O ATOM 0 H GLU A 75 -13.909 -5.852 -0.608 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.038 -7.422 1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.746 -9.016 0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.350 -7.391 0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.979 -6.906 -1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.470 -8.567 -1.679 1.00 0.00 H new ATOM 1148 N LYS A 76 -12.109 -8.454 -1.410 1.00 0.00 N ATOM 1149 CA LYS A 76 -11.155 -9.348 -2.041 1.00 0.00 C ATOM 1150 C LYS A 76 -9.756 -9.069 -1.509 1.00 0.00 C ATOM 1151 O LYS A 76 -9.038 -9.983 -1.115 1.00 0.00 O ATOM 1152 CB LYS A 76 -11.229 -9.239 -3.564 1.00 0.00 C ATOM 1153 CG LYS A 76 -10.609 -7.958 -4.114 1.00 0.00 C ATOM 1154 CD LYS A 76 -10.260 -8.186 -5.581 1.00 0.00 C ATOM 1155 CE LYS A 76 -9.488 -6.977 -6.095 1.00 0.00 C ATOM 1156 NZ LYS A 76 -9.150 -7.125 -7.519 1.00 0.00 N ATOM 0 H LYS A 76 -12.650 -7.874 -2.051 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.407 -10.378 -1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.723 -10.097 -4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.273 -9.290 -3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.306 -7.126 -4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.716 -7.695 -3.548 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.662 -9.090 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.168 -8.331 -6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.083 -6.075 -5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.575 -6.852 -5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.973 -6.187 -7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.297 -7.712 -7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.941 -7.581 -8.018 1.00 0.00 H new ATOM 1170 N LEU A 77 -9.393 -7.787 -1.469 1.00 0.00 N ATOM 1171 CA LEU A 77 -8.109 -7.360 -0.967 1.00 0.00 C ATOM 1172 C LEU A 77 -7.889 -7.737 0.489 1.00 0.00 C ATOM 1173 O LEU A 77 -6.929 -8.446 0.767 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.980 -5.863 -1.142 1.00 0.00 C ATOM 1175 CG LEU A 77 -7.231 -5.524 -2.414 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -5.802 -5.462 -1.927 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -7.283 -6.621 -3.466 1.00 0.00 C ATOM 0 H LEU A 77 -9.989 -7.023 -1.787 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.342 -7.878 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.971 -5.410 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.458 -5.437 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.644 -4.629 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.143 -5.221 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.712 -4.693 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.518 -6.427 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.725 -6.306 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.841 -7.533 -3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.320 -6.812 -3.742 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.728 -7.275 1.422 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.537 -7.595 2.832 1.00 0.00 C ATOM 1191 C ALA A 78 -8.487 -9.106 3.043 1.00 0.00 C ATOM 1192 O ALA A 78 -7.785 -9.583 3.932 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.582 -6.921 3.725 1.00 0.00 C ATOM 0 H ALA A 78 -9.536 -6.685 1.225 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.573 -7.187 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.399 -7.189 4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.514 -5.839 3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.578 -7.254 3.435 1.00 0.00 H new ATOM 1199 N ALA A 79 -9.208 -9.880 2.232 1.00 0.00 N ATOM 1200 CA ALA A 79 -9.069 -11.319 2.296 1.00 0.00 C ATOM 1201 C ALA A 79 -7.645 -11.688 1.880 1.00 0.00 C ATOM 1202 O ALA A 79 -6.861 -12.203 2.677 1.00 0.00 O ATOM 1203 CB ALA A 79 -10.072 -11.957 1.339 1.00 0.00 C ATOM 0 H ALA A 79 -9.876 -9.538 1.542 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.260 -11.678 3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.975 -13.042 1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.083 -11.672 1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.875 -11.613 0.323 1.00 0.00 H new ATOM 1209 N TYR A 80 -7.307 -11.350 0.636 1.00 0.00 N ATOM 1210 CA TYR A 80 -6.063 -11.690 -0.033 1.00 0.00 C ATOM 1211 C TYR A 80 -4.807 -11.339 0.763 1.00 0.00 C ATOM 1212 O TYR A 80 -3.866 -12.121 0.836 1.00 0.00 O ATOM 1213 CB TYR A 80 -6.070 -10.948 -1.368 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.776 -11.067 -2.139 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -4.345 -12.325 -2.596 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -3.902 -9.967 -2.177 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -3.036 -12.483 -3.084 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -2.593 -10.128 -2.663 1.00 0.00 C ATOM 1219 CZ TYR A 80 -2.158 -11.388 -3.103 1.00 0.00 C ATOM 1220 OH TYR A 80 -0.876 -11.551 -3.529 1.00 0.00 O ATOM 0 H TYR A 80 -7.930 -10.803 0.041 1.00 0.00 H new ATOM 0 HA TYR A 80 -6.019 -12.772 -0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.885 -11.332 -1.982 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.278 -9.894 -1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.019 -13.169 -2.572 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.236 -8.999 -1.833 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.706 -13.446 -3.444 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.922 -9.282 -2.698 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.330 -10.798 -3.220 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.778 -10.139 1.328 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.634 -9.582 2.029 1.00 0.00 C ATOM 1232 C VAL A 81 -3.245 -10.335 3.295 1.00 0.00 C ATOM 1233 O VAL A 81 -2.083 -10.285 3.706 1.00 0.00 O ATOM 1234 CB VAL A 81 -3.978 -8.144 2.390 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -4.315 -7.411 1.103 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -5.206 -8.121 3.300 1.00 0.00 C ATOM 0 H VAL A 81 -5.579 -9.507 1.309 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.773 -9.658 1.364 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.139 -7.675 2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.567 -6.375 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.455 -7.438 0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.165 -7.894 0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.449 -7.090 3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.051 -8.575 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.994 -8.681 4.211 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.212 -10.998 3.926 1.00 0.00 N ATOM 1247 CA GLN A 82 -4.006 -11.624 5.215 1.00 0.00 C ATOM 1248 C GLN A 82 -4.160 -13.144 5.185 1.00 0.00 C ATOM 1249 O GLN A 82 -3.414 -13.864 5.838 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.045 -11.010 6.145 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.437 -11.542 5.847 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.373 -11.061 6.930 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -7.080 -11.176 8.118 1.00 0.00 O ATOM 1254 NE2 GLN A 82 -8.443 -10.419 6.505 1.00 0.00 N ATOM 0 H GLN A 82 -5.155 -11.112 3.553 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.983 -11.448 5.546 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.784 -11.229 7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.037 -9.925 6.037 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.775 -11.194 4.871 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.427 -12.631 5.811 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.636 -10.355 5.505 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.078 -9.986 7.176 1.00 0.00 H new ATOM 1263 N GLU A 83 -5.142 -13.591 4.406 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.658 -14.936 4.233 1.00 0.00 C ATOM 1265 C GLU A 83 -4.666 -16.083 4.414 1.00 0.00 C ATOM 1266 O GLU A 83 -4.798 -16.869 5.347 1.00 0.00 O ATOM 1267 CB GLU A 83 -6.306 -14.936 2.852 1.00 0.00 C ATOM 1268 CG GLU A 83 -7.350 -16.033 2.680 1.00 0.00 C ATOM 1269 CD GLU A 83 -8.086 -15.844 1.363 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -8.610 -14.726 1.166 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -8.105 -16.818 0.581 1.00 0.00 O ATOM 0 H GLU A 83 -5.652 -12.936 3.813 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.359 -15.149 5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.774 -13.967 2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.532 -15.058 2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.869 -17.011 2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.057 -16.007 3.509 1.00 0.00 H new ATOM 1278 N GLU A 84 -3.720 -16.222 3.488 1.00 0.00 N ATOM 1279 CA GLU A 84 -2.795 -17.338 3.487 1.00 0.00 C ATOM 1280 C GLU A 84 -1.523 -16.984 4.263 1.00 0.00 C ATOM 1281 O GLU A 84 -1.557 -16.669 5.450 1.00 0.00 O ATOM 1282 CB GLU A 84 -2.525 -17.718 2.019 1.00 0.00 C ATOM 1283 CG GLU A 84 -2.026 -16.539 1.161 1.00 0.00 C ATOM 1284 CD GLU A 84 -3.133 -15.897 0.333 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -3.996 -15.239 0.952 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -3.089 -16.073 -0.903 1.00 0.00 O ATOM 0 H GLU A 84 -3.578 -15.563 2.722 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.217 -18.203 3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.785 -18.518 1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.441 -18.115 1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.582 -15.785 1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.238 -16.889 0.495 1.00 0.00 H new ATOM 1293 N VAL A 85 -0.392 -17.032 3.563 1.00 0.00 N ATOM 1294 CA VAL A 85 0.906 -16.540 3.972 1.00 0.00 C ATOM 1295 C VAL A 85 1.346 -15.802 2.714 1.00 0.00 C ATOM 1296 O VAL A 85 0.983 -16.246 1.580 1.00 0.00 O ATOM 1297 CB VAL A 85 1.908 -17.713 4.315 1.00 0.00 C ATOM 1298 CG1 VAL A 85 3.278 -17.296 4.918 1.00 0.00 C ATOM 1299 CG2 VAL A 85 1.333 -18.763 5.296 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.064 -14.758 2.797 1.00 0.00 O ATOM 0 H VAL A 85 -0.365 -17.446 2.631 1.00 0.00 H new ATOM 0 HA VAL A 85 0.880 -15.933 4.877 1.00 0.00 H new ATOM 0 HB VAL A 85 2.061 -18.125 3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.877 -18.186 5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.804 -16.650 4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.116 -16.759 5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.080 -19.535 5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.071 -18.278 6.236 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.442 -19.217 4.862 1.00 0.00 H new TER 1310 VAL A 85