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 4 GLN : amide:sc= 2.14 K(o=-5.1,f=-15!) USER MOD Set 1.2: A 5 LYS NZ :NH3+ -162:sc= 0.412 (180deg=-0.885) USER MOD Set 1.3: A 71 GLN : amide:sc= -7.69! C(o=-5.1!,f=-14!) USER MOD Set 2.1: A 3 GLN : amide:sc= 0.582 K(o=1.6,f=-1) USER MOD Set 2.2: A 66 GLN : amide:sc= 0.969 K(o=1.6,f=0.014) USER MOD Set 3.1: A 37 LYS NZ :NH3+ 179:sc= 0.573 (180deg=0) USER MOD Set 3.2: A 56 SER OG : rot 75:sc= 0.348 USER MOD Set 4.1: A 51 MET CE :methyl -160:sc= -4.86! (180deg=-6.92!) USER MOD Set 4.2: A 52 SER OG : rot -150:sc= -3.43! USER MOD Set 5.1: A 15 GLN : amide:sc= 1.06 K(o=-2.5,f=-4.8) USER MOD Set 5.2: A 57 THR OG1 : rot -98:sc= -3.52! USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= -3.33! (180deg=-3.7!) USER MOD Single : A 12 THR OG1 : rot -90:sc= -1.11! USER MOD Single : A 24 GLN : amide:sc= -1.26! C(o=-1.3!,f=-5.5!) USER MOD Single : A 27 ASN : amide:sc= -3.62! C(o=-3.6!,f=-3.1!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 130:sc= -0.108 USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= 0.0226 (180deg=-0.74!) USER MOD Single : A 41 LYS NZ :NH3+ -122:sc= -0.473 (180deg=-2.3) USER MOD Single : A 43 ASN : amide:sc= 1.28 K(o=1.3,f=-0.35) USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= -0.302! (180deg=-1.63!) USER MOD Single : A 46 SER OG : rot -170:sc= -1.76! USER MOD Single : A 48 MET CE :methyl -159:sc= -0.19 (180deg=-0.906) USER MOD Single : A 59 THR OG1 : rot 68:sc= -0.515 USER MOD Single : A 62 THR OG1 : rot 56:sc= -1.02! USER MOD Single : A 76 LYS NZ :NH3+ -166:sc= -1.68! (180deg=-2.25!) USER MOD Single : A 80 TYR OH : rot 81:sc= -1.26! USER MOD Single : A 82 GLN : amide:sc= -8.26! C(o=-8.3!,f=-9.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 -17.651 6.047 -2.044 1.00 0.00 N ATOM 2 CA VAL A 2 -18.224 4.820 -1.503 1.00 0.00 C ATOM 3 C VAL A 2 -17.084 4.010 -0.876 1.00 0.00 C ATOM 4 O VAL A 2 -16.409 3.246 -1.555 1.00 0.00 O ATOM 5 CB VAL A 2 -18.971 4.068 -2.613 1.00 0.00 C ATOM 6 CG1 VAL A 2 -19.695 2.851 -2.054 1.00 0.00 C ATOM 7 CG2 VAL A 2 -20.019 4.978 -3.250 1.00 0.00 C ATOM 0 HA VAL A 2 -18.961 5.021 -0.726 1.00 0.00 H new ATOM 0 HB VAL A 2 -18.232 3.754 -3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.216 2.336 -2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.972 2.174 -1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.416 3.170 -1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -20.543 4.435 -4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -20.733 5.297 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -19.529 5.853 -3.678 1.00 0.00 H new ATOM 19 N GLN A 3 -16.822 4.215 0.417 1.00 0.00 N ATOM 20 CA GLN A 3 -15.666 3.611 1.055 1.00 0.00 C ATOM 21 C GLN A 3 -16.000 2.505 2.051 1.00 0.00 C ATOM 22 O GLN A 3 -16.731 2.738 3.011 1.00 0.00 O ATOM 23 CB GLN A 3 -14.892 4.717 1.778 1.00 0.00 C ATOM 24 CG GLN A 3 -13.457 4.268 2.051 1.00 0.00 C ATOM 25 CD GLN A 3 -12.697 5.308 2.849 1.00 0.00 C ATOM 26 OE1 GLN A 3 -11.999 6.137 2.273 1.00 0.00 O ATOM 27 NE2 GLN A 3 -12.829 5.281 4.171 1.00 0.00 N ATOM 0 H GLN A 3 -17.395 4.792 1.033 1.00 0.00 H new ATOM 0 HA GLN A 3 -15.081 3.136 0.267 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.888 5.623 1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -15.388 4.964 2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.467 3.324 2.596 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.945 4.086 1.106 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.419 4.575 4.610 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.340 5.967 4.746 1.00 0.00 H new ATOM 36 N GLN A 4 -15.407 1.325 1.865 1.00 0.00 N ATOM 37 CA GLN A 4 -15.508 0.237 2.823 1.00 0.00 C ATOM 38 C GLN A 4 -14.106 -0.355 2.994 1.00 0.00 C ATOM 39 O GLN A 4 -13.263 -0.188 2.117 1.00 0.00 O ATOM 40 CB GLN A 4 -16.520 -0.798 2.319 1.00 0.00 C ATOM 41 CG GLN A 4 -16.476 -2.076 3.158 1.00 0.00 C ATOM 42 CD GLN A 4 -17.009 -1.837 4.558 1.00 0.00 C ATOM 43 OE1 GLN A 4 -16.316 -1.275 5.402 1.00 0.00 O ATOM 44 NE2 GLN A 4 -18.241 -2.261 4.796 1.00 0.00 N ATOM 0 H GLN A 4 -14.844 1.102 1.044 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.867 0.583 3.792 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -17.524 -0.374 2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.309 -1.038 1.277 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.064 -2.853 2.671 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -15.450 -2.441 3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -18.773 -2.722 4.058 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -18.658 -2.126 5.717 1.00 0.00 H new ATOM 53 N LYS A 5 -13.826 -1.036 4.104 1.00 0.00 N ATOM 54 CA LYS A 5 -12.534 -1.635 4.348 1.00 0.00 C ATOM 55 C LYS A 5 -12.737 -2.850 5.242 1.00 0.00 C ATOM 56 O LYS A 5 -13.572 -2.812 6.144 1.00 0.00 O ATOM 57 CB LYS A 5 -11.622 -0.598 5.007 1.00 0.00 C ATOM 58 CG LYS A 5 -12.206 -0.049 6.313 1.00 0.00 C ATOM 59 CD LYS A 5 -13.260 1.023 6.036 1.00 0.00 C ATOM 60 CE LYS A 5 -14.146 1.246 7.262 1.00 0.00 C ATOM 61 NZ LYS A 5 -14.868 0.015 7.633 1.00 0.00 N ATOM 0 H LYS A 5 -14.498 -1.183 4.857 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.062 -1.956 3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.650 -1.049 5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.453 0.226 4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.652 -0.862 6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.407 0.371 6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.771 1.957 5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.875 0.723 5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.533 1.577 8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.862 2.042 7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.669 0.255 8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.221 -0.453 6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.223 -0.627 8.137 1.00 0.00 H new ATOM 75 N VAL A 6 -11.998 -3.927 4.992 1.00 0.00 N ATOM 76 CA VAL A 6 -12.060 -5.109 5.834 1.00 0.00 C ATOM 77 C VAL A 6 -10.648 -5.335 6.363 1.00 0.00 C ATOM 78 O VAL A 6 -9.680 -5.186 5.621 1.00 0.00 O ATOM 79 CB VAL A 6 -12.658 -6.298 5.073 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.065 -5.945 4.591 1.00 0.00 C ATOM 81 CG2 VAL A 6 -11.820 -6.679 3.859 1.00 0.00 C ATOM 0 H VAL A 6 -11.348 -4.002 4.209 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.733 -4.981 6.682 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.680 -7.143 5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.488 -6.792 4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -14.695 -5.711 5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.017 -5.080 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.281 -7.526 3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -11.763 -5.832 3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.815 -6.953 4.182 1.00 0.00 H new ATOM 91 N GLU A 7 -10.494 -5.597 7.657 1.00 0.00 N ATOM 92 CA GLU A 7 -9.153 -5.652 8.200 1.00 0.00 C ATOM 93 C GLU A 7 -8.463 -6.989 7.972 1.00 0.00 C ATOM 94 O GLU A 7 -9.092 -8.012 7.699 1.00 0.00 O ATOM 95 CB GLU A 7 -9.170 -5.206 9.660 1.00 0.00 C ATOM 96 CG GLU A 7 -7.755 -4.882 10.136 1.00 0.00 C ATOM 97 CD GLU A 7 -7.783 -4.088 11.431 1.00 0.00 C ATOM 98 OE1 GLU A 7 -7.852 -4.743 12.493 1.00 0.00 O ATOM 99 OE2 GLU A 7 -7.738 -2.842 11.321 1.00 0.00 O ATOM 0 H GLU A 7 -11.250 -5.767 8.321 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.532 -4.948 7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.807 -4.329 9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.598 -5.992 10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.197 -5.807 10.284 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.231 -4.313 9.368 1.00 0.00 H new ATOM 106 N VAL A 8 -7.136 -6.953 8.037 1.00 0.00 N ATOM 107 CA VAL A 8 -6.313 -8.110 7.786 1.00 0.00 C ATOM 108 C VAL A 8 -5.111 -8.079 8.710 1.00 0.00 C ATOM 109 O VAL A 8 -4.593 -7.007 9.008 1.00 0.00 O ATOM 110 CB VAL A 8 -5.827 -8.063 6.328 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.927 -7.527 5.420 1.00 0.00 C ATOM 112 CG2 VAL A 8 -4.620 -7.145 6.148 1.00 0.00 C ATOM 0 H VAL A 8 -6.607 -6.112 8.267 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.887 -9.020 7.962 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.553 -9.085 6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.568 -7.499 4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.800 -8.177 5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.201 -6.520 5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.315 -7.146 5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.886 -6.131 6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.796 -7.502 6.766 1.00 0.00 H new ATOM 122 N ARG A 9 -4.643 -9.227 9.178 1.00 0.00 N ATOM 123 CA ARG A 9 -3.332 -9.193 9.791 1.00 0.00 C ATOM 124 C ARG A 9 -2.384 -9.344 8.612 1.00 0.00 C ATOM 125 O ARG A 9 -2.671 -10.121 7.699 1.00 0.00 O ATOM 126 CB ARG A 9 -3.142 -10.320 10.795 1.00 0.00 C ATOM 127 CG ARG A 9 -1.753 -10.232 11.427 1.00 0.00 C ATOM 128 CD ARG A 9 -1.440 -11.587 12.058 1.00 0.00 C ATOM 129 NE ARG A 9 -1.636 -12.663 11.077 1.00 0.00 N ATOM 130 CZ ARG A 9 -0.905 -12.793 9.962 1.00 0.00 C ATOM 131 NH1 ARG A 9 0.180 -12.028 9.795 1.00 0.00 N ATOM 132 NH2 ARG A 9 -1.275 -13.676 9.029 1.00 0.00 N ATOM 0 H ARG A 9 -5.114 -10.131 9.149 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.166 -8.279 10.361 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.907 -10.260 11.569 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.264 -11.283 10.300 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.006 -9.980 10.674 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.725 -9.444 12.180 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.412 -11.599 12.420 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.084 -11.751 12.922 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.369 -13.349 11.255 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.444 -11.353 10.513 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.743 -12.119 8.950 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.109 -14.246 9.168 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.723 -13.780 8.178 1.00 0.00 H new ATOM 146 N LEU A 10 -1.291 -8.585 8.579 1.00 0.00 N ATOM 147 CA LEU A 10 -0.387 -8.675 7.448 1.00 0.00 C ATOM 148 C LEU A 10 0.263 -10.045 7.338 1.00 0.00 C ATOM 149 O LEU A 10 1.353 -10.262 7.862 1.00 0.00 O ATOM 150 CB LEU A 10 0.694 -7.600 7.501 1.00 0.00 C ATOM 151 CG LEU A 10 0.269 -6.320 6.795 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.498 -6.658 5.516 1.00 0.00 C ATOM 153 CD2 LEU A 10 -0.560 -5.454 7.730 1.00 0.00 C ATOM 0 H LEU A 10 -1.019 -7.920 9.303 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.000 -8.514 6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.931 -7.377 8.541 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.606 -7.981 7.041 1.00 0.00 H new ATOM 0 HG LEU A 10 1.156 -5.751 6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.798 -5.736 5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.141 -7.239 4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.385 -7.240 5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.858 -4.542 7.213 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.450 -6.002 8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.032 -5.197 8.608 1.00 0.00 H new ATOM 165 N LYS A 11 -0.381 -10.961 6.622 1.00 0.00 N ATOM 166 CA LYS A 11 0.203 -12.258 6.342 1.00 0.00 C ATOM 167 C LYS A 11 1.318 -11.995 5.337 1.00 0.00 C ATOM 168 O LYS A 11 2.414 -12.525 5.480 1.00 0.00 O ATOM 169 CB LYS A 11 -0.886 -13.205 5.832 1.00 0.00 C ATOM 170 CG LYS A 11 -0.324 -14.453 5.165 1.00 0.00 C ATOM 171 CD LYS A 11 -0.020 -14.091 3.713 1.00 0.00 C ATOM 172 CE LYS A 11 -1.215 -13.362 3.108 1.00 0.00 C ATOM 173 NZ LYS A 11 -2.348 -14.259 2.897 1.00 0.00 N ATOM 0 H LYS A 11 -1.311 -10.824 6.226 1.00 0.00 H new ATOM 0 HA LYS A 11 0.623 -12.750 7.219 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.522 -13.501 6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.519 -12.673 5.121 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.579 -14.788 5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.041 -15.272 5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.867 -13.460 3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.197 -14.993 3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.515 -12.547 3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.924 -12.914 2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.194 -13.701 2.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.135 -14.909 2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.523 -14.806 3.764 1.00 0.00 H new ATOM 187 N THR A 12 1.036 -11.138 4.356 1.00 0.00 N ATOM 188 CA THR A 12 2.060 -10.646 3.458 1.00 0.00 C ATOM 189 C THR A 12 2.943 -9.683 4.234 1.00 0.00 C ATOM 190 O THR A 12 4.144 -9.868 4.416 1.00 0.00 O ATOM 191 CB THR A 12 1.419 -9.838 2.333 1.00 0.00 C ATOM 192 OG1 THR A 12 0.276 -9.121 2.791 1.00 0.00 O ATOM 193 CG2 THR A 12 1.042 -10.790 1.222 1.00 0.00 C ATOM 0 H THR A 12 0.102 -10.774 4.169 1.00 0.00 H new ATOM 0 HA THR A 12 2.620 -11.490 3.055 1.00 0.00 H new ATOM 0 HB THR A 12 2.131 -9.098 1.969 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.524 -9.677 2.683 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.581 -10.233 0.406 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.936 -11.295 0.857 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.336 -11.529 1.600 1.00 0.00 H new ATOM 201 N GLY A 13 2.294 -8.627 4.718 1.00 0.00 N ATOM 202 CA GLY A 13 3.003 -7.467 5.205 1.00 0.00 C ATOM 203 C GLY A 13 3.541 -6.763 3.968 1.00 0.00 C ATOM 204 O GLY A 13 4.680 -6.314 3.962 1.00 0.00 O ATOM 0 H GLY A 13 1.278 -8.559 4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.340 -6.812 5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.813 -7.756 5.874 1.00 0.00 H new ATOM 208 N LEU A 14 2.743 -6.797 2.892 1.00 0.00 N ATOM 209 CA LEU A 14 2.948 -6.099 1.633 1.00 0.00 C ATOM 210 C LEU A 14 4.416 -6.099 1.234 1.00 0.00 C ATOM 211 O LEU A 14 5.032 -5.042 1.114 1.00 0.00 O ATOM 212 CB LEU A 14 2.355 -4.700 1.722 1.00 0.00 C ATOM 213 CG LEU A 14 0.836 -4.703 1.506 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.457 -5.066 0.076 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.107 -5.636 2.469 1.00 0.00 C ATOM 0 H LEU A 14 1.886 -7.350 2.886 1.00 0.00 H new ATOM 0 HA LEU A 14 2.425 -6.628 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.581 -4.272 2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.826 -4.059 0.977 1.00 0.00 H new ATOM 0 HG LEU A 14 0.518 -3.680 1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.628 -5.055 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.894 -4.342 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.833 -6.062 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.964 -5.598 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.466 -6.656 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.298 -5.321 3.495 1.00 0.00 H new ATOM 227 N GLN A 15 4.978 -7.288 1.045 1.00 0.00 N ATOM 228 CA GLN A 15 6.393 -7.394 0.786 1.00 0.00 C ATOM 229 C GLN A 15 6.709 -7.195 -0.683 1.00 0.00 C ATOM 230 O GLN A 15 7.431 -6.258 -1.019 1.00 0.00 O ATOM 231 CB GLN A 15 6.929 -8.722 1.303 1.00 0.00 C ATOM 232 CG GLN A 15 6.645 -8.849 2.797 1.00 0.00 C ATOM 233 CD GLN A 15 7.380 -10.040 3.390 1.00 0.00 C ATOM 234 OE1 GLN A 15 8.474 -10.385 2.955 1.00 0.00 O ATOM 235 NE2 GLN A 15 6.778 -10.699 4.372 1.00 0.00 N ATOM 0 H GLN A 15 4.476 -8.176 1.067 1.00 0.00 H new ATOM 0 HA GLN A 15 6.898 -6.593 1.326 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.463 -9.547 0.764 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.002 -8.787 1.121 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.951 -7.936 3.308 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.573 -8.961 2.959 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.868 -10.388 4.712 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.225 -11.517 4.786 1.00 0.00 H new ATOM 244 N ALA A 16 6.203 -8.053 -1.574 1.00 0.00 N ATOM 245 CA ALA A 16 6.613 -7.867 -2.959 1.00 0.00 C ATOM 246 C ALA A 16 5.807 -8.628 -3.995 1.00 0.00 C ATOM 247 O ALA A 16 5.787 -8.229 -5.157 1.00 0.00 O ATOM 248 CB ALA A 16 8.081 -8.268 -3.095 1.00 0.00 C ATOM 0 H ALA A 16 5.561 -8.822 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 16 6.438 -6.812 -3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.401 -8.133 -4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.691 -7.643 -2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.200 -9.314 -2.812 1.00 0.00 H new ATOM 254 N ARG A 17 5.154 -9.723 -3.623 1.00 0.00 N ATOM 255 CA ARG A 17 4.511 -10.512 -4.661 1.00 0.00 C ATOM 256 C ARG A 17 2.997 -10.483 -4.534 1.00 0.00 C ATOM 257 O ARG A 17 2.329 -9.791 -5.305 1.00 0.00 O ATOM 258 CB ARG A 17 5.113 -11.918 -4.683 1.00 0.00 C ATOM 259 CG ARG A 17 6.589 -11.776 -5.057 1.00 0.00 C ATOM 260 CD ARG A 17 7.496 -12.406 -4.001 1.00 0.00 C ATOM 261 NE ARG A 17 7.234 -11.819 -2.684 1.00 0.00 N ATOM 262 CZ ARG A 17 8.168 -11.416 -1.815 1.00 0.00 C ATOM 263 NH1 ARG A 17 9.467 -11.598 -2.064 1.00 0.00 N ATOM 264 NH2 ARG A 17 7.769 -10.817 -0.695 1.00 0.00 N ATOM 0 H ARG A 17 5.058 -10.069 -2.668 1.00 0.00 H new ATOM 0 HA ARG A 17 4.711 -10.067 -5.636 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.008 -12.396 -3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.593 -12.547 -5.405 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.768 -12.250 -6.022 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.837 -10.721 -5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.330 -13.483 -3.966 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.541 -12.254 -4.272 1.00 0.00 H new ATOM 0 HE ARG A 17 6.259 -11.709 -2.407 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.762 -12.051 -2.929 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.165 -11.284 -1.389 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.774 -10.676 -0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.458 -10.499 -0.013 1.00 0.00 H new ATOM 278 N PRO A 18 2.447 -11.196 -3.546 1.00 0.00 N ATOM 279 CA PRO A 18 1.030 -11.182 -3.234 1.00 0.00 C ATOM 280 C PRO A 18 0.589 -9.736 -3.059 1.00 0.00 C ATOM 281 O PRO A 18 -0.397 -9.320 -3.643 1.00 0.00 O ATOM 282 CB PRO A 18 0.913 -11.914 -1.900 1.00 0.00 C ATOM 283 CG PRO A 18 2.244 -11.527 -1.267 1.00 0.00 C ATOM 284 CD PRO A 18 3.186 -11.746 -2.437 1.00 0.00 C ATOM 0 HA PRO A 18 0.419 -11.644 -4.009 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.059 -11.576 -1.313 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.808 -12.992 -2.024 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.251 -10.495 -0.917 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.494 -12.155 -0.412 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.138 -11.235 -2.292 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.410 -12.802 -2.584 1.00 0.00 H new ATOM 292 N ALA A 19 1.364 -8.956 -2.304 1.00 0.00 N ATOM 293 CA ALA A 19 1.093 -7.562 -2.036 1.00 0.00 C ATOM 294 C ALA A 19 1.073 -6.718 -3.293 1.00 0.00 C ATOM 295 O ALA A 19 0.300 -5.767 -3.374 1.00 0.00 O ATOM 296 CB ALA A 19 2.191 -7.061 -1.137 1.00 0.00 C ATOM 0 H ALA A 19 2.216 -9.294 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 19 0.106 -7.481 -1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.023 -6.008 -0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.194 -7.636 -0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.152 -7.175 -1.638 1.00 0.00 H new ATOM 302 N ALA A 20 1.934 -7.057 -4.255 1.00 0.00 N ATOM 303 CA ALA A 20 1.926 -6.416 -5.552 1.00 0.00 C ATOM 304 C ALA A 20 0.548 -6.675 -6.144 1.00 0.00 C ATOM 305 O ALA A 20 -0.112 -5.760 -6.624 1.00 0.00 O ATOM 306 CB ALA A 20 3.025 -7.019 -6.425 1.00 0.00 C ATOM 0 H ALA A 20 2.647 -7.779 -4.149 1.00 0.00 H new ATOM 0 HA ALA A 20 2.118 -5.345 -5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.019 -6.536 -7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.993 -6.864 -5.949 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.848 -8.088 -6.547 1.00 0.00 H new ATOM 312 N LEU A 21 0.097 -7.926 -6.044 1.00 0.00 N ATOM 313 CA LEU A 21 -1.232 -8.338 -6.459 1.00 0.00 C ATOM 314 C LEU A 21 -2.300 -7.544 -5.718 1.00 0.00 C ATOM 315 O LEU A 21 -3.251 -7.091 -6.344 1.00 0.00 O ATOM 316 CB LEU A 21 -1.395 -9.820 -6.165 1.00 0.00 C ATOM 317 CG LEU A 21 -2.415 -10.445 -7.115 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.257 -11.962 -7.127 1.00 0.00 C ATOM 319 CD2 LEU A 21 -3.820 -10.071 -6.653 1.00 0.00 C ATOM 0 H LEU A 21 0.659 -8.689 -5.666 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.350 -8.150 -7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.435 -10.325 -6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.718 -9.959 -5.133 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.250 -10.070 -8.125 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.988 -12.399 -7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.252 -12.221 -7.460 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.418 -12.352 -6.122 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.554 -10.513 -7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.982 -10.445 -5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.929 -8.986 -6.660 1.00 0.00 H new ATOM 331 N PHE A 22 -2.154 -7.382 -4.404 1.00 0.00 N ATOM 332 CA PHE A 22 -3.070 -6.611 -3.571 1.00 0.00 C ATOM 333 C PHE A 22 -3.199 -5.225 -4.154 1.00 0.00 C ATOM 334 O PHE A 22 -4.278 -4.841 -4.589 1.00 0.00 O ATOM 335 CB PHE A 22 -2.472 -6.481 -2.175 1.00 0.00 C ATOM 336 CG PHE A 22 -2.235 -7.786 -1.473 1.00 0.00 C ATOM 337 CD1 PHE A 22 -2.817 -8.972 -1.948 1.00 0.00 C ATOM 338 CD2 PHE A 22 -1.352 -7.815 -0.386 1.00 0.00 C ATOM 339 CE1 PHE A 22 -2.464 -10.201 -1.372 1.00 0.00 C ATOM 340 CE2 PHE A 22 -1.015 -9.041 0.200 1.00 0.00 C ATOM 341 CZ PHE A 22 -1.551 -10.239 -0.308 1.00 0.00 C ATOM 0 H PHE A 22 -1.380 -7.792 -3.880 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.041 -7.104 -3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.525 -5.946 -2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.137 -5.871 -1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.534 -8.938 -2.755 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.933 -6.896 -0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.895 -11.117 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.342 -9.067 1.044 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.260 -11.186 0.121 1.00 0.00 H new ATOM 351 N VAL A 23 -2.088 -4.492 -4.165 1.00 0.00 N ATOM 352 CA VAL A 23 -2.055 -3.149 -4.691 1.00 0.00 C ATOM 353 C VAL A 23 -2.629 -3.107 -6.106 1.00 0.00 C ATOM 354 O VAL A 23 -3.433 -2.224 -6.391 1.00 0.00 O ATOM 355 CB VAL A 23 -0.626 -2.618 -4.597 1.00 0.00 C ATOM 356 CG1 VAL A 23 -0.423 -1.374 -5.455 1.00 0.00 C ATOM 357 CG2 VAL A 23 -0.325 -2.259 -3.140 1.00 0.00 C ATOM 0 H VAL A 23 -1.191 -4.821 -3.808 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.691 -2.491 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 23 0.045 -3.396 -4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.607 -1.030 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.629 -1.614 -6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.101 -0.588 -5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.694 -1.879 -3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.025 -1.495 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.429 -3.148 -2.517 1.00 0.00 H new ATOM 367 N GLN A 24 -2.253 -4.030 -6.995 1.00 0.00 N ATOM 368 CA GLN A 24 -2.763 -3.978 -8.356 1.00 0.00 C ATOM 369 C GLN A 24 -4.240 -4.360 -8.481 1.00 0.00 C ATOM 370 O GLN A 24 -4.921 -3.761 -9.300 1.00 0.00 O ATOM 371 CB GLN A 24 -1.822 -4.652 -9.368 1.00 0.00 C ATOM 372 CG GLN A 24 -1.409 -6.096 -9.089 1.00 0.00 C ATOM 373 CD GLN A 24 -2.297 -7.095 -9.807 1.00 0.00 C ATOM 374 OE1 GLN A 24 -2.169 -7.308 -11.007 1.00 0.00 O ATOM 375 NE2 GLN A 24 -3.190 -7.736 -9.071 1.00 0.00 N ATOM 0 H GLN A 24 -1.614 -4.801 -6.800 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.760 -2.926 -8.641 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.302 -4.622 -10.346 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.916 -4.050 -9.439 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.375 -6.243 -9.400 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.449 -6.283 -8.016 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.269 -7.534 -8.074 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.799 -8.433 -9.500 1.00 0.00 H new ATOM 384 N GLU A 25 -4.782 -5.281 -7.679 1.00 0.00 N ATOM 385 CA GLU A 25 -6.202 -5.611 -7.760 1.00 0.00 C ATOM 386 C GLU A 25 -6.998 -4.476 -7.146 1.00 0.00 C ATOM 387 O GLU A 25 -7.970 -3.998 -7.726 1.00 0.00 O ATOM 388 CB GLU A 25 -6.528 -6.891 -6.997 1.00 0.00 C ATOM 389 CG GLU A 25 -5.832 -8.100 -7.599 1.00 0.00 C ATOM 390 CD GLU A 25 -6.329 -8.420 -9.003 1.00 0.00 C ATOM 391 OE1 GLU A 25 -7.493 -8.069 -9.293 1.00 0.00 O ATOM 392 OE2 GLU A 25 -5.523 -9.007 -9.758 1.00 0.00 O ATOM 0 H GLU A 25 -4.263 -5.805 -6.974 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.457 -5.759 -8.809 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.227 -6.780 -5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.606 -7.052 -7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.758 -7.919 -7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.991 -8.965 -6.955 1.00 0.00 H new ATOM 399 N ALA A 26 -6.552 -4.063 -5.956 1.00 0.00 N ATOM 400 CA ALA A 26 -7.037 -2.892 -5.246 1.00 0.00 C ATOM 401 C ALA A 26 -7.172 -1.762 -6.260 1.00 0.00 C ATOM 402 O ALA A 26 -8.223 -1.145 -6.385 1.00 0.00 O ATOM 403 CB ALA A 26 -5.995 -2.500 -4.205 1.00 0.00 C ATOM 0 H ALA A 26 -5.818 -4.557 -5.449 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.993 -3.090 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.339 -1.621 -3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.848 -3.326 -3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.052 -2.272 -4.702 1.00 0.00 H new ATOM 409 N ASN A 27 -6.070 -1.544 -6.979 1.00 0.00 N ATOM 410 CA ASN A 27 -5.905 -0.614 -8.081 1.00 0.00 C ATOM 411 C ASN A 27 -6.896 -0.864 -9.207 1.00 0.00 C ATOM 412 O ASN A 27 -7.468 0.083 -9.738 1.00 0.00 O ATOM 413 CB ASN A 27 -4.516 -0.836 -8.663 1.00 0.00 C ATOM 414 CG ASN A 27 -3.620 0.364 -8.403 1.00 0.00 C ATOM 415 OD1 ASN A 27 -3.789 1.419 -9.003 1.00 0.00 O ATOM 416 ND2 ASN A 27 -2.674 0.205 -7.486 1.00 0.00 N ATOM 0 H ASN A 27 -5.209 -2.055 -6.786 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.061 0.394 -7.696 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.072 -1.729 -8.223 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.591 -1.013 -9.736 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.051 0.979 -7.256 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.570 -0.692 -7.011 1.00 0.00 H new ATOM 423 N ARG A 28 -7.047 -2.131 -9.610 1.00 0.00 N ATOM 424 CA ARG A 28 -7.960 -2.506 -10.686 1.00 0.00 C ATOM 425 C ARG A 28 -9.348 -2.008 -10.356 1.00 0.00 C ATOM 426 O ARG A 28 -10.033 -1.414 -11.187 1.00 0.00 O ATOM 427 CB ARG A 28 -8.046 -4.020 -10.837 1.00 0.00 C ATOM 428 CG ARG A 28 -6.710 -4.577 -11.308 1.00 0.00 C ATOM 429 CD ARG A 28 -6.780 -6.092 -11.474 1.00 0.00 C ATOM 430 NE ARG A 28 -5.464 -6.609 -11.856 1.00 0.00 N ATOM 431 CZ ARG A 28 -4.942 -6.478 -13.082 1.00 0.00 C ATOM 432 NH1 ARG A 28 -5.654 -5.891 -14.050 1.00 0.00 N ATOM 433 NH2 ARG A 28 -3.708 -6.929 -13.327 1.00 0.00 N ATOM 0 H ARG A 28 -6.542 -2.917 -9.200 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.583 -2.067 -11.610 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.322 -4.473 -9.885 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.828 -4.278 -11.551 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.433 -4.116 -12.256 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.931 -4.321 -10.589 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.107 -6.555 -10.543 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.517 -6.350 -12.234 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.914 -7.096 -11.148 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.593 -5.544 -13.854 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.258 -5.790 -14.985 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.169 -7.370 -12.582 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.305 -6.832 -14.259 1.00 0.00 H new ATOM 447 N PHE A 29 -9.770 -2.288 -9.128 1.00 0.00 N ATOM 448 CA PHE A 29 -11.041 -1.797 -8.683 1.00 0.00 C ATOM 449 C PHE A 29 -10.956 -0.289 -8.586 1.00 0.00 C ATOM 450 O PHE A 29 -10.012 0.282 -8.047 1.00 0.00 O ATOM 451 CB PHE A 29 -11.462 -2.502 -7.405 1.00 0.00 C ATOM 452 CG PHE A 29 -11.782 -3.957 -7.676 1.00 0.00 C ATOM 453 CD1 PHE A 29 -12.249 -4.355 -8.943 1.00 0.00 C ATOM 454 CD2 PHE A 29 -11.601 -4.917 -6.673 1.00 0.00 C ATOM 455 CE1 PHE A 29 -12.597 -5.694 -9.182 1.00 0.00 C ATOM 456 CE2 PHE A 29 -11.949 -6.257 -6.907 1.00 0.00 C ATOM 457 CZ PHE A 29 -12.434 -6.648 -8.166 1.00 0.00 C ATOM 0 H PHE A 29 -9.253 -2.842 -8.445 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.836 -2.024 -9.393 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.664 -2.432 -6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.335 -2.006 -6.981 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.340 -3.627 -9.735 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.193 -4.626 -5.717 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.989 -5.989 -10.144 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.844 -6.988 -6.119 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.681 -7.683 -8.352 1.00 0.00 H new ATOM 467 N THR A 30 -11.968 0.356 -9.143 1.00 0.00 N ATOM 468 CA THR A 30 -12.013 1.800 -9.272 1.00 0.00 C ATOM 469 C THR A 30 -12.410 2.455 -7.948 1.00 0.00 C ATOM 470 O THR A 30 -13.359 3.229 -7.872 1.00 0.00 O ATOM 471 CB THR A 30 -12.976 2.107 -10.414 1.00 0.00 C ATOM 472 OG1 THR A 30 -12.474 1.565 -11.619 1.00 0.00 O ATOM 473 CG2 THR A 30 -13.117 3.606 -10.581 1.00 0.00 C ATOM 0 H THR A 30 -12.789 -0.115 -9.522 1.00 0.00 H new ATOM 0 HA THR A 30 -11.034 2.217 -9.506 1.00 0.00 H new ATOM 0 HB THR A 30 -13.946 1.668 -10.182 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.096 1.762 -12.350 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.806 3.818 -11.398 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.503 4.040 -9.659 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.143 4.040 -10.806 1.00 0.00 H new ATOM 481 N SER A 31 -11.657 2.143 -6.903 1.00 0.00 N ATOM 482 CA SER A 31 -11.870 2.542 -5.542 1.00 0.00 C ATOM 483 C SER A 31 -10.661 3.288 -5.013 1.00 0.00 C ATOM 484 O SER A 31 -9.527 2.933 -5.314 1.00 0.00 O ATOM 485 CB SER A 31 -12.053 1.262 -4.727 1.00 0.00 C ATOM 486 OG SER A 31 -13.089 0.464 -5.281 1.00 0.00 O ATOM 0 H SER A 31 -10.825 1.562 -7.004 1.00 0.00 H new ATOM 0 HA SER A 31 -12.738 3.197 -5.472 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.121 0.698 -4.711 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.292 1.513 -3.694 1.00 0.00 H new ATOM 0 HG SER A 31 -12.768 -0.455 -5.396 1.00 0.00 H new ATOM 492 N ASP A 32 -10.897 4.310 -4.197 1.00 0.00 N ATOM 493 CA ASP A 32 -9.821 4.968 -3.490 1.00 0.00 C ATOM 494 C ASP A 32 -9.475 3.989 -2.374 1.00 0.00 C ATOM 495 O ASP A 32 -10.189 3.879 -1.380 1.00 0.00 O ATOM 496 CB ASP A 32 -10.322 6.323 -3.015 1.00 0.00 C ATOM 497 CG ASP A 32 -9.356 7.065 -2.110 1.00 0.00 C ATOM 498 OD1 ASP A 32 -8.136 6.835 -2.248 1.00 0.00 O ATOM 499 OD2 ASP A 32 -9.871 7.869 -1.305 1.00 0.00 O ATOM 0 H ASP A 32 -11.824 4.695 -4.014 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.928 5.186 -4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.535 6.944 -3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.264 6.183 -2.484 1.00 0.00 H new ATOM 504 N VAL A 33 -8.470 3.169 -2.649 1.00 0.00 N ATOM 505 CA VAL A 33 -8.096 2.035 -1.830 1.00 0.00 C ATOM 506 C VAL A 33 -7.102 2.416 -0.739 1.00 0.00 C ATOM 507 O VAL A 33 -6.194 3.218 -0.955 1.00 0.00 O ATOM 508 CB VAL A 33 -7.591 0.937 -2.763 1.00 0.00 C ATOM 509 CG1 VAL A 33 -7.112 -0.261 -1.956 1.00 0.00 C ATOM 510 CG2 VAL A 33 -8.749 0.528 -3.676 1.00 0.00 C ATOM 0 H VAL A 33 -7.879 3.282 -3.472 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.960 1.661 -1.280 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.751 1.301 -3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.755 -1.037 -2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.301 0.046 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.937 -0.652 -1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.417 -0.257 -4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.576 0.158 -3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.080 1.391 -4.253 1.00 0.00 H new ATOM 520 N PHE A 34 -7.252 1.792 0.427 1.00 0.00 N ATOM 521 CA PHE A 34 -6.486 2.102 1.617 1.00 0.00 C ATOM 522 C PHE A 34 -6.092 0.878 2.424 1.00 0.00 C ATOM 523 O PHE A 34 -6.507 -0.239 2.133 1.00 0.00 O ATOM 524 CB PHE A 34 -7.329 3.003 2.511 1.00 0.00 C ATOM 525 CG PHE A 34 -7.603 4.360 1.919 1.00 0.00 C ATOM 526 CD1 PHE A 34 -6.556 5.277 1.732 1.00 0.00 C ATOM 527 CD2 PHE A 34 -8.904 4.684 1.505 1.00 0.00 C ATOM 528 CE1 PHE A 34 -6.835 6.578 1.282 1.00 0.00 C ATOM 529 CE2 PHE A 34 -9.171 5.961 0.989 1.00 0.00 C ATOM 530 CZ PHE A 34 -8.153 6.930 0.952 1.00 0.00 C ATOM 0 H PHE A 34 -7.927 1.040 0.567 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.566 2.582 1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.278 2.509 2.718 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.820 3.130 3.467 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.537 4.982 1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.696 3.954 1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.040 7.303 1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.158 6.199 0.620 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.385 7.946 0.669 1.00 0.00 H new ATOM 540 N LEU A 35 -5.280 1.107 3.447 1.00 0.00 N ATOM 541 CA LEU A 35 -4.873 0.108 4.407 1.00 0.00 C ATOM 542 C LEU A 35 -4.607 0.849 5.708 1.00 0.00 C ATOM 543 O LEU A 35 -3.884 1.841 5.706 1.00 0.00 O ATOM 544 CB LEU A 35 -3.680 -0.668 3.869 1.00 0.00 C ATOM 545 CG LEU A 35 -3.350 -1.804 4.827 1.00 0.00 C ATOM 546 CD1 LEU A 35 -2.955 -3.038 4.022 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.205 -1.373 5.737 1.00 0.00 C ATOM 0 H LEU A 35 -4.877 2.026 3.631 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.637 -0.647 4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.905 -1.065 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.820 -0.007 3.759 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.218 -2.045 5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.717 -3.856 4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.783 -3.332 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.082 -2.809 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.963 -2.182 6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.329 -1.137 5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.503 -0.491 6.304 1.00 0.00 H new ATOM 559 N GLU A 36 -5.262 0.412 6.782 1.00 0.00 N ATOM 560 CA GLU A 36 -5.292 1.091 8.064 1.00 0.00 C ATOM 561 C GLU A 36 -4.716 0.199 9.161 1.00 0.00 C ATOM 562 O GLU A 36 -5.452 -0.623 9.704 1.00 0.00 O ATOM 563 CB GLU A 36 -6.764 1.370 8.383 1.00 0.00 C ATOM 564 CG GLU A 36 -7.524 1.852 7.153 1.00 0.00 C ATOM 565 CD GLU A 36 -9.006 1.984 7.446 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.657 0.924 7.567 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.457 3.145 7.533 1.00 0.00 O ATOM 0 H GLU A 36 -5.802 -0.453 6.778 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.700 2.005 8.019 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.231 0.464 8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.830 2.122 9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.127 2.814 6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.373 1.152 6.331 1.00 0.00 H new ATOM 574 N LYS A 37 -3.436 0.361 9.503 1.00 0.00 N ATOM 575 CA LYS A 37 -2.755 -0.386 10.551 1.00 0.00 C ATOM 576 C LYS A 37 -3.391 -0.094 11.897 1.00 0.00 C ATOM 577 O LYS A 37 -2.980 0.844 12.581 1.00 0.00 O ATOM 578 CB LYS A 37 -1.292 0.035 10.594 1.00 0.00 C ATOM 579 CG LYS A 37 -0.472 -0.563 9.466 1.00 0.00 C ATOM 580 CD LYS A 37 0.982 -0.135 9.653 1.00 0.00 C ATOM 581 CE LYS A 37 1.417 -0.527 11.064 1.00 0.00 C ATOM 582 NZ LYS A 37 2.818 -0.158 11.311 1.00 0.00 N ATOM 0 H LYS A 37 -2.830 1.038 9.041 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.835 -1.452 10.339 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.230 1.122 10.544 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.861 -0.265 11.549 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.552 -1.650 9.473 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.847 -0.222 8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.619 -0.617 8.911 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.083 0.941 9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.775 -0.036 11.795 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.292 -1.601 11.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.080 -0.421 12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.433 -0.659 10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.934 0.868 11.187 1.00 0.00 H new ATOM 596 N ASP A 38 -4.425 -0.855 12.256 1.00 0.00 N ATOM 597 CA ASP A 38 -5.215 -0.613 13.450 1.00 0.00 C ATOM 598 C ASP A 38 -5.657 0.850 13.460 1.00 0.00 C ATOM 599 O ASP A 38 -5.730 1.478 14.514 1.00 0.00 O ATOM 600 CB ASP A 38 -4.382 -0.936 14.686 1.00 0.00 C ATOM 601 CG ASP A 38 -4.075 -2.425 14.776 1.00 0.00 C ATOM 602 OD1 ASP A 38 -4.986 -3.168 15.202 1.00 0.00 O ATOM 603 OD2 ASP A 38 -2.939 -2.797 14.410 1.00 0.00 O ATOM 0 H ASP A 38 -4.736 -1.663 11.717 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.099 -1.251 13.456 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.450 -0.372 14.656 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.918 -0.619 15.581 1.00 0.00 H new ATOM 608 N GLY A 39 -5.901 1.412 12.271 1.00 0.00 N ATOM 609 CA GLY A 39 -6.247 2.813 12.163 1.00 0.00 C ATOM 610 C GLY A 39 -5.225 3.609 11.344 1.00 0.00 C ATOM 611 O GLY A 39 -5.570 4.652 10.794 1.00 0.00 O ATOM 0 H GLY A 39 -5.863 0.913 11.382 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.230 2.907 11.701 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.322 3.243 13.162 1.00 0.00 H new ATOM 615 N LYS A 40 -3.973 3.147 11.235 1.00 0.00 N ATOM 616 CA LYS A 40 -2.945 3.851 10.481 1.00 0.00 C ATOM 617 C LYS A 40 -3.214 3.646 8.992 1.00 0.00 C ATOM 618 O LYS A 40 -2.627 2.759 8.378 1.00 0.00 O ATOM 619 CB LYS A 40 -1.554 3.306 10.828 1.00 0.00 C ATOM 620 CG LYS A 40 -1.258 3.066 12.314 1.00 0.00 C ATOM 621 CD LYS A 40 -1.442 4.317 13.174 1.00 0.00 C ATOM 622 CE LYS A 40 -2.888 4.391 13.659 1.00 0.00 C ATOM 623 NZ LYS A 40 -3.253 3.196 14.444 1.00 0.00 N ATOM 0 H LYS A 40 -3.652 2.280 11.666 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.972 4.911 10.733 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.416 2.364 10.297 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.810 4.002 10.441 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.913 2.278 12.686 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.234 2.707 12.421 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.762 4.289 14.026 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.194 5.208 12.597 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.024 5.284 14.269 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.556 4.484 12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.064 3.417 15.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.508 2.421 13.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.445 2.906 15.031 1.00 0.00 H new ATOM 637 N LYS A 41 -4.138 4.412 8.423 1.00 0.00 N ATOM 638 CA LYS A 41 -4.580 4.207 7.056 1.00 0.00 C ATOM 639 C LYS A 41 -3.888 5.096 6.018 1.00 0.00 C ATOM 640 O LYS A 41 -3.679 6.290 6.221 1.00 0.00 O ATOM 641 CB LYS A 41 -6.098 4.348 7.068 1.00 0.00 C ATOM 642 CG LYS A 41 -6.757 4.543 5.703 1.00 0.00 C ATOM 643 CD LYS A 41 -6.705 6.039 5.397 1.00 0.00 C ATOM 644 CE LYS A 41 -7.713 6.420 4.316 1.00 0.00 C ATOM 645 NZ LYS A 41 -9.096 6.089 4.702 1.00 0.00 N ATOM 0 H LYS A 41 -4.598 5.189 8.898 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.287 3.211 6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.523 3.458 7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.361 5.195 7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.233 3.973 4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.787 4.187 5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.911 6.605 6.305 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.701 6.311 5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.640 7.489 4.114 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.463 5.903 3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.509 5.446 3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.095 5.626 5.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.661 6.961 4.749 1.00 0.00 H new ATOM 659 N VAL A 42 -3.582 4.479 4.876 1.00 0.00 N ATOM 660 CA VAL A 42 -2.960 5.070 3.695 1.00 0.00 C ATOM 661 C VAL A 42 -3.543 4.449 2.440 1.00 0.00 C ATOM 662 O VAL A 42 -4.264 3.460 2.522 1.00 0.00 O ATOM 663 CB VAL A 42 -1.457 4.789 3.682 1.00 0.00 C ATOM 664 CG1 VAL A 42 -0.709 5.639 4.697 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.215 3.309 3.975 1.00 0.00 C ATOM 0 H VAL A 42 -3.776 3.486 4.745 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.146 6.144 3.724 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.078 5.046 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.355 5.406 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.859 6.694 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.086 5.427 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.144 3.107 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.623 3.061 4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.705 2.702 3.213 1.00 0.00 H new ATOM 675 N ASN A 43 -3.257 5.033 1.274 1.00 0.00 N ATOM 676 CA ASN A 43 -3.668 4.499 -0.007 1.00 0.00 C ATOM 677 C ASN A 43 -2.995 3.167 -0.243 1.00 0.00 C ATOM 678 O ASN A 43 -1.828 3.089 -0.615 1.00 0.00 O ATOM 679 CB ASN A 43 -3.348 5.484 -1.123 1.00 0.00 C ATOM 680 CG ASN A 43 -4.504 6.446 -1.295 1.00 0.00 C ATOM 681 OD1 ASN A 43 -4.333 7.656 -1.208 1.00 0.00 O ATOM 682 ND2 ASN A 43 -5.699 5.908 -1.489 1.00 0.00 N ATOM 0 H ASN A 43 -2.726 5.901 1.202 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.747 4.345 -0.002 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.436 6.033 -0.887 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.166 4.948 -2.054 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.521 6.507 -1.572 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.797 4.895 -1.556 1.00 0.00 H new ATOM 689 N ALA A 44 -3.802 2.133 -0.053 1.00 0.00 N ATOM 690 CA ALA A 44 -3.473 0.722 -0.148 1.00 0.00 C ATOM 691 C ALA A 44 -2.716 0.394 -1.426 1.00 0.00 C ATOM 692 O ALA A 44 -1.739 -0.347 -1.426 1.00 0.00 O ATOM 693 CB ALA A 44 -4.792 -0.038 -0.213 1.00 0.00 C ATOM 0 H ALA A 44 -4.782 2.273 0.191 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.852 0.453 0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.593 -1.107 -0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.372 0.163 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.356 0.286 -1.088 1.00 0.00 H new ATOM 699 N LYS A 45 -3.219 0.946 -2.526 1.00 0.00 N ATOM 700 CA LYS A 45 -2.698 0.724 -3.864 1.00 0.00 C ATOM 701 C LYS A 45 -1.509 1.628 -4.186 1.00 0.00 C ATOM 702 O LYS A 45 -0.922 1.524 -5.263 1.00 0.00 O ATOM 703 CB LYS A 45 -3.823 0.976 -4.856 1.00 0.00 C ATOM 704 CG LYS A 45 -4.487 2.311 -4.539 1.00 0.00 C ATOM 705 CD LYS A 45 -5.467 2.602 -5.655 1.00 0.00 C ATOM 706 CE LYS A 45 -6.495 1.473 -5.694 1.00 0.00 C ATOM 707 NZ LYS A 45 -7.503 1.693 -6.744 1.00 0.00 N ATOM 0 H LYS A 45 -4.021 1.576 -2.507 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.337 -0.302 -3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.431 0.985 -5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.556 0.171 -4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.000 2.266 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.742 3.103 -4.466 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.960 3.560 -5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.946 2.674 -6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.988 0.524 -5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.989 1.396 -4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.954 0.788 -6.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.224 2.358 -6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.044 2.089 -7.589 1.00 0.00 H new ATOM 721 N SER A 46 -1.188 2.545 -3.280 1.00 0.00 N ATOM 722 CA SER A 46 -0.079 3.455 -3.428 1.00 0.00 C ATOM 723 C SER A 46 1.120 2.975 -2.619 1.00 0.00 C ATOM 724 O SER A 46 0.973 2.276 -1.622 1.00 0.00 O ATOM 725 CB SER A 46 -0.497 4.833 -2.919 1.00 0.00 C ATOM 726 OG SER A 46 -1.694 5.254 -3.545 1.00 0.00 O ATOM 0 H SER A 46 -1.706 2.672 -2.410 1.00 0.00 H new ATOM 0 HA SER A 46 0.200 3.503 -4.481 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.638 4.800 -1.839 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.296 5.555 -3.115 1.00 0.00 H new ATOM 0 HG SER A 46 -1.862 6.195 -3.330 1.00 0.00 H new ATOM 732 N ILE A 47 2.303 3.406 -3.050 1.00 0.00 N ATOM 733 CA ILE A 47 3.605 3.163 -2.439 1.00 0.00 C ATOM 734 C ILE A 47 3.550 3.083 -0.910 1.00 0.00 C ATOM 735 O ILE A 47 3.904 2.061 -0.332 1.00 0.00 O ATOM 736 CB ILE A 47 4.566 4.255 -2.939 1.00 0.00 C ATOM 737 CG1 ILE A 47 6.023 4.003 -2.548 1.00 0.00 C ATOM 738 CG2 ILE A 47 4.144 5.645 -2.457 1.00 0.00 C ATOM 739 CD1 ILE A 47 6.259 4.257 -1.060 1.00 0.00 C ATOM 0 H ILE A 47 2.381 3.973 -3.894 1.00 0.00 H new ATOM 0 HA ILE A 47 3.967 2.180 -2.742 1.00 0.00 H new ATOM 0 HB ILE A 47 4.503 4.214 -4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.292 2.975 -2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.675 4.649 -3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.848 6.389 -2.831 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.145 5.871 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.139 5.666 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.305 4.068 -0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.014 5.293 -0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.626 3.592 -0.472 1.00 0.00 H new ATOM 751 N MET A 48 3.102 4.149 -0.247 1.00 0.00 N ATOM 752 CA MET A 48 3.056 4.189 1.200 1.00 0.00 C ATOM 753 C MET A 48 1.981 3.264 1.763 1.00 0.00 C ATOM 754 O MET A 48 2.107 2.789 2.891 1.00 0.00 O ATOM 755 CB MET A 48 2.838 5.634 1.633 1.00 0.00 C ATOM 756 CG MET A 48 2.665 5.682 3.149 1.00 0.00 C ATOM 757 SD MET A 48 2.313 7.324 3.805 1.00 0.00 S ATOM 758 CE MET A 48 3.777 8.159 3.169 1.00 0.00 C ATOM 0 H MET A 48 2.765 4.998 -0.700 1.00 0.00 H new ATOM 0 HA MET A 48 4.002 3.825 1.601 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.686 6.249 1.332 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.956 6.045 1.141 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.855 5.009 3.432 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.573 5.303 3.619 1.00 0.00 H new ATOM 0 HE1 MET A 48 3.960 9.064 3.748 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.638 7.496 3.251 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.620 8.422 2.123 1.00 0.00 H new ATOM 768 N GLY A 49 0.918 3.025 1.000 1.00 0.00 N ATOM 769 CA GLY A 49 -0.118 2.111 1.404 1.00 0.00 C ATOM 770 C GLY A 49 0.455 0.709 1.430 1.00 0.00 C ATOM 771 O GLY A 49 0.432 0.090 2.482 1.00 0.00 O ATOM 0 H GLY A 49 0.761 3.462 0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.498 2.382 2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.959 2.163 0.712 1.00 0.00 H new ATOM 775 N LEU A 50 0.997 0.226 0.311 1.00 0.00 N ATOM 776 CA LEU A 50 1.560 -1.099 0.198 1.00 0.00 C ATOM 777 C LEU A 50 2.858 -1.215 0.986 1.00 0.00 C ATOM 778 O LEU A 50 2.943 -1.944 1.968 1.00 0.00 O ATOM 779 CB LEU A 50 1.833 -1.350 -1.291 1.00 0.00 C ATOM 780 CG LEU A 50 2.060 -2.819 -1.647 1.00 0.00 C ATOM 781 CD1 LEU A 50 2.466 -2.913 -3.113 1.00 0.00 C ATOM 782 CD2 LEU A 50 3.196 -3.426 -0.849 1.00 0.00 C ATOM 0 H LEU A 50 1.053 0.764 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 50 0.865 -1.834 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.991 -0.973 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.710 -0.776 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 50 1.134 -3.351 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.631 -3.957 -3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.673 -2.500 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.385 -2.349 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.323 -4.471 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.117 -2.880 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.967 -3.365 0.215 1.00 0.00 H new ATOM 794 N MET A 51 3.882 -0.502 0.523 1.00 0.00 N ATOM 795 CA MET A 51 5.234 -0.619 1.022 1.00 0.00 C ATOM 796 C MET A 51 5.392 -0.031 2.418 1.00 0.00 C ATOM 797 O MET A 51 6.148 -0.567 3.218 1.00 0.00 O ATOM 798 CB MET A 51 6.172 0.039 0.003 1.00 0.00 C ATOM 799 CG MET A 51 7.662 -0.175 0.288 1.00 0.00 C ATOM 800 SD MET A 51 8.406 0.946 1.497 1.00 0.00 S ATOM 801 CE MET A 51 7.875 2.520 0.797 1.00 0.00 C ATOM 0 H MET A 51 3.784 0.185 -0.225 1.00 0.00 H new ATOM 0 HA MET A 51 5.492 -1.672 1.131 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.944 -0.352 -0.989 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.969 1.110 -0.022 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.802 -1.198 0.637 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.209 -0.080 -0.650 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.510 3.320 1.178 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.954 2.480 -0.289 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.840 2.713 1.079 1.00 0.00 H new ATOM 811 N SER A 52 4.718 1.075 2.728 1.00 0.00 N ATOM 812 CA SER A 52 4.911 1.668 4.038 1.00 0.00 C ATOM 813 C SER A 52 4.090 0.985 5.131 1.00 0.00 C ATOM 814 O SER A 52 4.640 0.328 6.009 1.00 0.00 O ATOM 815 CB SER A 52 4.654 3.171 3.975 1.00 0.00 C ATOM 816 OG SER A 52 5.382 3.725 2.895 1.00 0.00 O ATOM 0 H SER A 52 4.061 1.558 2.115 1.00 0.00 H new ATOM 0 HA SER A 52 5.951 1.508 4.322 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.589 3.364 3.848 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.954 3.642 4.911 1.00 0.00 H new ATOM 0 HG SER A 52 5.622 4.652 3.103 1.00 0.00 H new ATOM 822 N LEU A 53 2.773 1.173 5.119 1.00 0.00 N ATOM 823 CA LEU A 53 1.921 0.671 6.183 1.00 0.00 C ATOM 824 C LEU A 53 1.577 -0.800 6.008 1.00 0.00 C ATOM 825 O LEU A 53 1.785 -1.600 6.922 1.00 0.00 O ATOM 826 CB LEU A 53 0.669 1.531 6.270 1.00 0.00 C ATOM 827 CG LEU A 53 1.013 2.936 6.768 1.00 0.00 C ATOM 828 CD1 LEU A 53 1.851 3.744 5.780 1.00 0.00 C ATOM 829 CD2 LEU A 53 -0.298 3.668 6.959 1.00 0.00 C ATOM 0 H LEU A 53 2.276 1.671 4.381 1.00 0.00 H new ATOM 0 HA LEU A 53 2.471 0.738 7.122 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.195 1.593 5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.051 1.067 6.944 1.00 0.00 H new ATOM 0 HG LEU A 53 1.598 2.834 7.682 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.057 4.729 6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.791 3.226 5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.304 3.855 4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.102 4.679 7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.830 3.715 6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.908 3.138 7.691 1.00 0.00 H new ATOM 841 N ALA A 54 1.050 -1.153 4.833 1.00 0.00 N ATOM 842 CA ALA A 54 0.661 -2.506 4.469 1.00 0.00 C ATOM 843 C ALA A 54 1.828 -3.478 4.659 1.00 0.00 C ATOM 844 O ALA A 54 1.610 -4.654 4.935 1.00 0.00 O ATOM 845 CB ALA A 54 0.112 -2.518 3.037 1.00 0.00 C ATOM 0 H ALA A 54 0.879 -0.478 4.088 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.135 -2.847 5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.179 -3.533 2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.757 -1.863 2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.881 -2.166 2.350 1.00 0.00 H new ATOM 851 N VAL A 55 3.067 -2.989 4.572 1.00 0.00 N ATOM 852 CA VAL A 55 4.251 -3.800 4.795 1.00 0.00 C ATOM 853 C VAL A 55 4.382 -4.304 6.237 1.00 0.00 C ATOM 854 O VAL A 55 5.265 -5.104 6.539 1.00 0.00 O ATOM 855 CB VAL A 55 5.500 -3.029 4.372 1.00 0.00 C ATOM 856 CG1 VAL A 55 6.009 -2.167 5.528 1.00 0.00 C ATOM 857 CG2 VAL A 55 6.606 -3.994 3.951 1.00 0.00 C ATOM 0 H VAL A 55 3.271 -2.016 4.344 1.00 0.00 H new ATOM 0 HA VAL A 55 4.144 -4.691 4.176 1.00 0.00 H new ATOM 0 HB VAL A 55 5.233 -2.391 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.899 -1.623 5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.235 -1.457 5.821 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.256 -2.805 6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.489 -3.428 3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.858 -4.645 4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.262 -4.598 3.112 1.00 0.00 H new ATOM 867 N SER A 56 3.530 -3.853 7.156 1.00 0.00 N ATOM 868 CA SER A 56 3.651 -4.264 8.539 1.00 0.00 C ATOM 869 C SER A 56 3.125 -5.682 8.779 1.00 0.00 C ATOM 870 O SER A 56 2.122 -5.840 9.476 1.00 0.00 O ATOM 871 CB SER A 56 2.946 -3.240 9.430 1.00 0.00 C ATOM 872 OG SER A 56 3.407 -1.936 9.122 1.00 0.00 O ATOM 0 H SER A 56 2.760 -3.211 6.964 1.00 0.00 H new ATOM 0 HA SER A 56 4.710 -4.297 8.796 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.868 -3.298 9.283 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.137 -3.465 10.479 1.00 0.00 H new ATOM 0 HG SER A 56 3.012 -1.641 8.275 1.00 0.00 H new ATOM 878 N THR A 57 3.780 -6.703 8.207 1.00 0.00 N ATOM 879 CA THR A 57 3.489 -8.114 8.438 1.00 0.00 C ATOM 880 C THR A 57 3.144 -8.356 9.913 1.00 0.00 C ATOM 881 O THR A 57 3.932 -8.039 10.801 1.00 0.00 O ATOM 882 CB THR A 57 4.711 -8.943 8.034 1.00 0.00 C ATOM 883 OG1 THR A 57 5.164 -8.591 6.743 1.00 0.00 O ATOM 884 CG2 THR A 57 4.367 -10.427 8.041 1.00 0.00 C ATOM 0 H THR A 57 4.549 -6.559 7.552 1.00 0.00 H new ATOM 0 HA THR A 57 2.629 -8.412 7.838 1.00 0.00 H new ATOM 0 HB THR A 57 5.500 -8.737 8.758 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.812 -9.229 6.088 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.245 -11.005 7.752 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.051 -10.723 9.041 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.559 -10.616 7.335 1.00 0.00 H new ATOM 892 N GLY A 58 1.950 -8.883 10.179 1.00 0.00 N ATOM 893 CA GLY A 58 1.501 -9.134 11.537 1.00 0.00 C ATOM 894 C GLY A 58 0.685 -7.989 12.139 1.00 0.00 C ATOM 895 O GLY A 58 0.233 -8.110 13.272 1.00 0.00 O ATOM 0 H GLY A 58 1.275 -9.145 9.461 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.899 -10.042 11.548 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.370 -9.320 12.168 1.00 0.00 H new ATOM 899 N THR A 59 0.472 -6.883 11.424 1.00 0.00 N ATOM 900 CA THR A 59 -0.352 -5.815 11.969 1.00 0.00 C ATOM 901 C THR A 59 -1.771 -6.024 11.458 1.00 0.00 C ATOM 902 O THR A 59 -1.947 -6.502 10.336 1.00 0.00 O ATOM 903 CB THR A 59 0.173 -4.442 11.533 1.00 0.00 C ATOM 904 OG1 THR A 59 1.572 -4.383 11.694 1.00 0.00 O ATOM 905 CG2 THR A 59 -0.449 -3.322 12.365 1.00 0.00 C ATOM 0 H THR A 59 0.849 -6.710 10.492 1.00 0.00 H new ATOM 0 HA THR A 59 -0.327 -5.841 13.058 1.00 0.00 H new ATOM 0 HB THR A 59 -0.097 -4.308 10.485 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.001 -4.987 11.053 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.057 -2.361 12.032 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.532 -3.335 12.241 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.203 -3.470 13.416 1.00 0.00 H new ATOM 913 N GLU A 60 -2.787 -5.680 12.249 1.00 0.00 N ATOM 914 CA GLU A 60 -4.144 -5.804 11.759 1.00 0.00 C ATOM 915 C GLU A 60 -4.489 -4.490 11.077 1.00 0.00 C ATOM 916 O GLU A 60 -4.863 -3.513 11.719 1.00 0.00 O ATOM 917 CB GLU A 60 -5.131 -6.124 12.878 1.00 0.00 C ATOM 918 CG GLU A 60 -4.523 -7.002 13.971 1.00 0.00 C ATOM 919 CD GLU A 60 -4.063 -8.346 13.430 1.00 0.00 C ATOM 920 OE1 GLU A 60 -4.936 -9.100 12.947 1.00 0.00 O ATOM 921 OE2 GLU A 60 -2.842 -8.592 13.510 1.00 0.00 O ATOM 0 H GLU A 60 -2.695 -5.325 13.201 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.215 -6.636 11.059 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.485 -5.193 13.321 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.001 -6.627 12.456 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.677 -6.484 14.423 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.258 -7.161 14.760 1.00 0.00 H new ATOM 928 N VAL A 61 -4.311 -4.448 9.769 1.00 0.00 N ATOM 929 CA VAL A 61 -4.569 -3.258 8.997 1.00 0.00 C ATOM 930 C VAL A 61 -5.775 -3.487 8.093 1.00 0.00 C ATOM 931 O VAL A 61 -5.895 -4.525 7.446 1.00 0.00 O ATOM 932 CB VAL A 61 -3.296 -2.879 8.246 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.112 -2.902 9.205 1.00 0.00 C ATOM 934 CG2 VAL A 61 -2.931 -3.922 7.210 1.00 0.00 C ATOM 0 H VAL A 61 -3.983 -5.241 9.217 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.827 -2.413 9.636 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.484 -1.903 7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.203 -2.631 8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.283 -2.189 10.011 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.002 -3.903 9.623 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.020 -3.619 6.695 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.769 -4.881 7.701 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.742 -4.017 6.488 1.00 0.00 H new ATOM 944 N THR A 62 -6.713 -2.545 8.089 1.00 0.00 N ATOM 945 CA THR A 62 -7.915 -2.698 7.285 1.00 0.00 C ATOM 946 C THR A 62 -7.668 -2.267 5.843 1.00 0.00 C ATOM 947 O THR A 62 -7.191 -1.159 5.603 1.00 0.00 O ATOM 948 CB THR A 62 -9.079 -1.921 7.901 1.00 0.00 C ATOM 949 OG1 THR A 62 -9.341 -2.361 9.215 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.338 -2.202 7.089 1.00 0.00 C ATOM 0 H THR A 62 -6.664 -1.680 8.627 1.00 0.00 H new ATOM 0 HA THR A 62 -8.183 -3.754 7.273 1.00 0.00 H new ATOM 0 HB THR A 62 -8.815 -0.863 7.905 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.525 -2.288 9.753 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.177 -1.654 7.517 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.185 -1.883 6.058 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.554 -3.270 7.110 1.00 0.00 H new ATOM 958 N LEU A 63 -7.985 -3.138 4.886 1.00 0.00 N ATOM 959 CA LEU A 63 -7.873 -2.854 3.475 1.00 0.00 C ATOM 960 C LEU A 63 -9.188 -2.229 3.019 1.00 0.00 C ATOM 961 O LEU A 63 -10.246 -2.854 3.095 1.00 0.00 O ATOM 962 CB LEU A 63 -7.579 -4.162 2.748 1.00 0.00 C ATOM 963 CG LEU A 63 -7.037 -3.939 1.341 1.00 0.00 C ATOM 964 CD1 LEU A 63 -8.081 -3.321 0.414 1.00 0.00 C ATOM 965 CD2 LEU A 63 -5.802 -3.044 1.386 1.00 0.00 C ATOM 0 H LEU A 63 -8.333 -4.076 5.084 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.065 -2.156 3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.857 -4.740 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.491 -4.756 2.693 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.771 -4.917 0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.650 -3.180 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.943 -3.984 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.396 -2.357 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.425 -2.893 0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.066 -2.081 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.031 -3.518 1.993 1.00 0.00 H new ATOM 977 N ILE A 64 -9.113 -0.978 2.581 1.00 0.00 N ATOM 978 CA ILE A 64 -10.231 -0.181 2.124 1.00 0.00 C ATOM 979 C ILE A 64 -10.257 -0.127 0.604 1.00 0.00 C ATOM 980 O ILE A 64 -9.215 -0.090 -0.041 1.00 0.00 O ATOM 981 CB ILE A 64 -10.063 1.265 2.609 1.00 0.00 C ATOM 982 CG1 ILE A 64 -9.716 1.381 4.089 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.343 2.046 2.318 1.00 0.00 C ATOM 984 CD1 ILE A 64 -9.763 2.848 4.504 1.00 0.00 C ATOM 0 H ILE A 64 -8.228 -0.474 2.535 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.144 -0.632 2.512 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.217 1.682 2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.419 0.800 4.686 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.724 0.970 4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.228 3.074 2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.536 2.041 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.180 1.581 2.840 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.515 2.935 5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.043 3.416 3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.764 3.243 4.332 1.00 0.00 H new ATOM 996 N ALA A 65 -11.450 -0.067 0.036 1.00 0.00 N ATOM 997 CA ALA A 65 -11.649 0.244 -1.357 1.00 0.00 C ATOM 998 C ALA A 65 -12.836 1.183 -1.355 1.00 0.00 C ATOM 999 O ALA A 65 -13.932 0.817 -0.933 1.00 0.00 O ATOM 1000 CB ALA A 65 -11.886 -1.002 -2.201 1.00 0.00 C ATOM 0 H ALA A 65 -12.318 -0.237 0.544 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.768 0.698 -1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.030 -0.714 -3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.023 -1.663 -2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.774 -1.521 -1.842 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.602 2.427 -1.751 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.669 3.395 -1.735 1.00 0.00 C ATOM 1008 C GLN A 66 -13.931 3.864 -3.161 1.00 0.00 C ATOM 1009 O GLN A 66 -13.627 4.995 -3.555 1.00 0.00 O ATOM 1010 CB GLN A 66 -13.299 4.440 -0.684 1.00 0.00 C ATOM 1011 CG GLN A 66 -12.577 5.679 -1.193 1.00 0.00 C ATOM 1012 CD GLN A 66 -13.412 6.926 -0.989 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -14.120 7.352 -1.898 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -13.342 7.518 0.197 1.00 0.00 N ATOM 0 H GLN A 66 -11.701 2.776 -2.079 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.641 3.011 -1.425 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -14.212 4.758 -0.181 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.671 3.962 0.068 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.625 5.787 -0.673 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.350 5.560 -2.252 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.741 7.132 0.925 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.889 8.359 0.380 1.00 0.00 H new ATOM 1023 N GLY A 67 -14.408 2.931 -3.976 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.639 3.171 -5.380 1.00 0.00 C ATOM 1025 C GLY A 67 -15.798 2.364 -5.933 1.00 0.00 C ATOM 1026 O GLY A 67 -16.618 1.812 -5.200 1.00 0.00 O ATOM 0 H GLY A 67 -14.644 1.986 -3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.835 4.232 -5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.735 2.929 -5.939 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.811 2.270 -7.260 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.738 1.473 -8.030 1.00 0.00 C ATOM 1032 C GLU A 68 -16.760 0.047 -7.499 1.00 0.00 C ATOM 1033 O GLU A 68 -17.820 -0.566 -7.429 1.00 0.00 O ATOM 1034 CB GLU A 68 -16.290 1.466 -9.491 1.00 0.00 C ATOM 1035 CG GLU A 68 -16.219 2.885 -10.062 1.00 0.00 C ATOM 1036 CD GLU A 68 -17.537 3.627 -9.894 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -18.589 2.973 -10.055 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -17.460 4.836 -9.589 1.00 0.00 O ATOM 0 H GLU A 68 -15.143 2.772 -7.845 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.739 1.897 -7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.312 0.991 -9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.984 0.869 -10.083 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.424 3.439 -9.563 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.960 2.839 -11.120 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.599 -0.508 -7.139 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.629 -1.829 -6.569 1.00 0.00 C ATOM 1047 C ASP A 69 -15.226 -1.638 -5.133 1.00 0.00 C ATOM 1048 O ASP A 69 -14.212 -2.192 -4.739 1.00 0.00 O ATOM 1049 CB ASP A 69 -14.675 -2.788 -7.280 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.672 -2.606 -8.789 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -13.950 -1.691 -9.250 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -15.374 -3.397 -9.454 1.00 0.00 O ATOM 0 H ASP A 69 -14.678 -0.079 -7.231 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.616 -2.280 -6.670 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.665 -2.638 -6.899 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.956 -3.814 -7.043 1.00 0.00 H new ATOM 1057 N GLU A 70 -15.913 -0.792 -4.368 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.500 -0.574 -3.004 1.00 0.00 C ATOM 1059 C GLU A 70 -15.538 -1.889 -2.241 1.00 0.00 C ATOM 1060 O GLU A 70 -14.481 -2.481 -2.026 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.308 0.567 -2.398 1.00 0.00 C ATOM 1062 CG GLU A 70 -17.820 0.438 -2.540 1.00 0.00 C ATOM 1063 CD GLU A 70 -18.464 0.134 -1.196 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.253 0.933 -0.258 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -19.135 -0.917 -1.140 1.00 0.00 O ATOM 0 H GLU A 70 -16.733 -0.265 -4.667 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.463 -0.245 -2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.064 0.641 -1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.994 1.501 -2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -18.232 1.362 -2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -18.057 -0.355 -3.250 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.736 -2.381 -1.908 1.00 0.00 N ATOM 1073 CA GLN A 71 -16.916 -3.632 -1.197 1.00 0.00 C ATOM 1074 C GLN A 71 -16.092 -4.747 -1.817 1.00 0.00 C ATOM 1075 O GLN A 71 -15.363 -5.446 -1.120 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.386 -4.050 -1.252 1.00 0.00 C ATOM 1077 CG GLN A 71 -19.171 -3.540 -0.044 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.576 -4.020 1.273 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -18.861 -3.461 2.328 1.00 0.00 O ATOM 1080 NE2 GLN A 71 -17.731 -5.048 1.235 1.00 0.00 N ATOM 0 H GLN A 71 -17.612 -1.909 -2.131 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.592 -3.473 -0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -18.838 -3.666 -2.167 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.453 -5.137 -1.295 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -19.188 -2.450 -0.057 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -20.205 -3.876 -0.117 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -17.511 -5.495 0.345 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -17.303 -5.389 2.096 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.214 -4.886 -3.135 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.561 -5.931 -3.882 1.00 0.00 C ATOM 1091 C GLU A 72 -14.061 -5.897 -3.627 1.00 0.00 C ATOM 1092 O GLU A 72 -13.464 -6.889 -3.210 1.00 0.00 O ATOM 1093 CB GLU A 72 -15.893 -5.674 -5.357 1.00 0.00 C ATOM 1094 CG GLU A 72 -15.007 -6.408 -6.366 1.00 0.00 C ATOM 1095 CD GLU A 72 -15.142 -7.923 -6.304 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -16.298 -8.397 -6.290 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -14.076 -8.577 -6.280 1.00 0.00 O ATOM 0 H GLU A 72 -16.779 -4.262 -3.712 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.903 -6.922 -3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.930 -5.960 -5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.821 -4.603 -5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.258 -6.070 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.966 -6.136 -6.189 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.468 -4.731 -3.871 1.00 0.00 N ATOM 1105 CA ALA A 73 -12.049 -4.525 -3.776 1.00 0.00 C ATOM 1106 C ALA A 73 -11.546 -4.765 -2.373 1.00 0.00 C ATOM 1107 O ALA A 73 -10.637 -5.563 -2.173 1.00 0.00 O ATOM 1108 CB ALA A 73 -11.826 -3.089 -4.193 1.00 0.00 C ATOM 0 H ALA A 73 -13.982 -3.894 -4.145 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.502 -5.223 -4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.762 -2.857 -4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.183 -2.947 -5.213 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.372 -2.426 -3.522 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.142 -4.067 -1.413 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.761 -4.175 -0.024 1.00 0.00 C ATOM 1116 C LEU A 74 -11.850 -5.623 0.447 1.00 0.00 C ATOM 1117 O LEU A 74 -10.911 -6.108 1.075 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.599 -3.179 0.764 1.00 0.00 C ATOM 1119 CG LEU A 74 -14.087 -3.469 0.603 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.635 -4.368 1.702 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.828 -2.142 0.592 1.00 0.00 C ATOM 0 H LEU A 74 -12.904 -3.411 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.716 -3.912 0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.328 -3.225 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.383 -2.167 0.423 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.234 -4.008 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.698 -4.540 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.107 -5.321 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.493 -3.887 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.897 -2.323 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.647 -1.617 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.472 -1.533 -0.239 1.00 0.00 H new ATOM 1133 N GLU A 75 -12.925 -6.331 0.086 1.00 0.00 N ATOM 1134 CA GLU A 75 -13.072 -7.729 0.443 1.00 0.00 C ATOM 1135 C GLU A 75 -11.966 -8.583 -0.162 1.00 0.00 C ATOM 1136 O GLU A 75 -11.182 -9.170 0.580 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.431 -8.257 -0.023 1.00 0.00 C ATOM 1138 CG GLU A 75 -15.574 -7.561 0.708 1.00 0.00 C ATOM 1139 CD GLU A 75 -16.917 -8.043 0.183 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -17.233 -9.224 0.439 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -17.601 -7.215 -0.458 1.00 0.00 O ATOM 0 H GLU A 75 -13.702 -5.950 -0.454 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.003 -7.796 1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.535 -8.102 -1.097 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.486 -9.332 0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.503 -7.759 1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.493 -6.482 0.578 1.00 0.00 H new ATOM 1148 N LYS A 76 -11.896 -8.676 -1.495 1.00 0.00 N ATOM 1149 CA LYS A 76 -10.916 -9.571 -2.102 1.00 0.00 C ATOM 1150 C LYS A 76 -9.485 -9.197 -1.730 1.00 0.00 C ATOM 1151 O LYS A 76 -8.665 -10.069 -1.454 1.00 0.00 O ATOM 1152 CB LYS A 76 -11.124 -9.730 -3.615 1.00 0.00 C ATOM 1153 CG LYS A 76 -11.516 -8.466 -4.379 1.00 0.00 C ATOM 1154 CD LYS A 76 -10.359 -7.478 -4.536 1.00 0.00 C ATOM 1155 CE LYS A 76 -9.493 -7.788 -5.758 1.00 0.00 C ATOM 1156 NZ LYS A 76 -8.933 -9.146 -5.695 1.00 0.00 N ATOM 0 H LYS A 76 -12.485 -8.161 -2.150 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.088 -10.559 -1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.203 -10.120 -4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.896 -10.482 -3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.885 -8.745 -5.366 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.338 -7.974 -3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.757 -6.467 -4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.740 -7.501 -3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.090 -7.682 -6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.682 -7.062 -5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.175 -9.242 -6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.546 -9.318 -4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.681 -9.840 -5.895 1.00 0.00 H new ATOM 1170 N LEU A 77 -9.186 -7.903 -1.686 1.00 0.00 N ATOM 1171 CA LEU A 77 -7.878 -7.411 -1.353 1.00 0.00 C ATOM 1172 C LEU A 77 -7.518 -7.716 0.096 1.00 0.00 C ATOM 1173 O LEU A 77 -6.548 -8.434 0.327 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.880 -5.926 -1.677 1.00 0.00 C ATOM 1175 CG LEU A 77 -6.892 -5.621 -2.781 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -5.579 -5.533 -2.060 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -6.856 -6.755 -3.801 1.00 0.00 C ATOM 0 H LEU A 77 -9.863 -7.166 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.102 -7.910 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.880 -5.616 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.625 -5.353 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.143 -4.716 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.786 -5.313 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.626 -4.740 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.370 -6.482 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.139 -6.515 -4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.557 -7.680 -3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.846 -6.881 -4.240 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.288 -7.219 1.073 1.00 0.00 N ATOM 1190 CA ALA A 78 -7.965 -7.486 2.470 1.00 0.00 C ATOM 1191 C ALA A 78 -7.977 -8.984 2.745 1.00 0.00 C ATOM 1192 O ALA A 78 -7.166 -9.492 3.514 1.00 0.00 O ATOM 1193 CB ALA A 78 -8.922 -6.759 3.410 1.00 0.00 C ATOM 0 H ALA A 78 -9.117 -6.645 0.923 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.961 -7.106 2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.654 -6.979 4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.855 -5.685 3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.942 -7.093 3.221 1.00 0.00 H new ATOM 1199 N ALA A 79 -8.892 -9.721 2.128 1.00 0.00 N ATOM 1200 CA ALA A 79 -8.897 -11.156 2.289 1.00 0.00 C ATOM 1201 C ALA A 79 -7.560 -11.724 1.832 1.00 0.00 C ATOM 1202 O ALA A 79 -6.882 -12.419 2.589 1.00 0.00 O ATOM 1203 CB ALA A 79 -10.002 -11.715 1.416 1.00 0.00 C ATOM 0 H ALA A 79 -9.625 -9.351 1.523 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.058 -11.422 3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.031 -12.800 1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.959 -11.296 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.812 -11.452 0.375 1.00 0.00 H new ATOM 1209 N TYR A 80 -7.158 -11.369 0.612 1.00 0.00 N ATOM 1210 CA TYR A 80 -5.964 -11.904 -0.004 1.00 0.00 C ATOM 1211 C TYR A 80 -4.687 -11.548 0.758 1.00 0.00 C ATOM 1212 O TYR A 80 -3.763 -12.355 0.847 1.00 0.00 O ATOM 1213 CB TYR A 80 -5.959 -11.384 -1.434 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.957 -12.042 -2.359 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -4.397 -13.290 -2.031 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -4.461 -11.322 -3.460 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -3.311 -13.793 -2.771 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -3.363 -11.817 -4.183 1.00 0.00 C ATOM 1219 CZ TYR A 80 -2.785 -13.047 -3.836 1.00 0.00 C ATOM 1220 OH TYR A 80 -1.705 -13.506 -4.524 1.00 0.00 O ATOM 0 H TYR A 80 -7.659 -10.699 0.028 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.979 -12.994 0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.956 -11.515 -1.854 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.760 -10.313 -1.413 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.801 -13.863 -1.210 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.923 -10.390 -3.749 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.883 -14.752 -2.519 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.962 -11.248 -5.009 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.995 -14.170 -5.183 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.630 -10.355 1.346 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.422 -9.897 2.012 1.00 0.00 C ATOM 1232 C VAL A 81 -3.076 -10.704 3.252 1.00 0.00 C ATOM 1233 O VAL A 81 -1.909 -10.731 3.663 1.00 0.00 O ATOM 1234 CB VAL A 81 -3.570 -8.426 2.379 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -3.951 -7.637 1.138 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -4.696 -8.284 3.390 1.00 0.00 C ATOM 0 H VAL A 81 -5.406 -9.693 1.373 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.600 -10.037 1.310 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.631 -8.056 2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.058 -6.583 1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.173 -7.749 0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.896 -8.012 0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.812 -7.235 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.625 -8.651 2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.460 -8.865 4.282 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.090 -11.329 3.855 1.00 0.00 N ATOM 1247 CA GLN A 82 -3.936 -11.993 5.124 1.00 0.00 C ATOM 1248 C GLN A 82 -4.298 -13.482 5.137 1.00 0.00 C ATOM 1249 O GLN A 82 -3.815 -14.215 5.992 1.00 0.00 O ATOM 1250 CB GLN A 82 -4.899 -11.237 6.015 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.330 -11.637 5.687 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.243 -10.884 6.615 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -7.086 -10.924 7.833 1.00 0.00 O ATOM 1254 NE2 GLN A 82 -8.131 -10.111 6.024 1.00 0.00 N ATOM 0 H GLN A 82 -5.032 -11.381 3.468 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.889 -11.981 5.428 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.683 -11.450 7.062 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.771 -10.164 5.875 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.563 -11.403 4.648 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.464 -12.712 5.809 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.218 -10.119 5.008 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.732 -9.505 6.583 1.00 0.00 H new ATOM 1263 N GLU A 83 -5.149 -13.927 4.207 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.754 -15.253 4.260 1.00 0.00 C ATOM 1265 C GLU A 83 -4.803 -16.450 4.165 1.00 0.00 C ATOM 1266 O GLU A 83 -4.827 -17.293 5.057 1.00 0.00 O ATOM 1267 CB GLU A 83 -6.905 -15.319 3.258 1.00 0.00 C ATOM 1268 CG GLU A 83 -6.413 -15.150 1.823 1.00 0.00 C ATOM 1269 CD GLU A 83 -7.541 -15.233 0.810 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -8.486 -16.011 1.065 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -7.433 -14.515 -0.207 1.00 0.00 O ATOM 0 H GLU A 83 -5.435 -13.375 3.398 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.134 -15.367 5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.419 -16.275 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.633 -14.541 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.911 -14.188 1.725 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.673 -15.920 1.603 1.00 0.00 H new ATOM 1278 N GLU A 84 -4.020 -16.592 3.090 1.00 0.00 N ATOM 1279 CA GLU A 84 -3.091 -17.704 3.010 1.00 0.00 C ATOM 1280 C GLU A 84 -1.776 -17.317 3.692 1.00 0.00 C ATOM 1281 O GLU A 84 -1.764 -16.798 4.804 1.00 0.00 O ATOM 1282 CB GLU A 84 -2.894 -18.120 1.546 1.00 0.00 C ATOM 1283 CG GLU A 84 -2.354 -16.978 0.672 1.00 0.00 C ATOM 1284 CD GLU A 84 -3.473 -16.244 -0.043 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -3.979 -15.282 0.571 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -3.785 -16.647 -1.182 1.00 0.00 O ATOM 0 H GLU A 84 -4.015 -15.964 2.286 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.493 -18.570 3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.204 -18.963 1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.845 -18.465 1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.797 -16.277 1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.655 -17.380 -0.061 1.00 0.00 H new ATOM 1293 N VAL A 85 -0.662 -17.532 2.998 1.00 0.00 N ATOM 1294 CA VAL A 85 0.666 -17.144 3.419 1.00 0.00 C ATOM 1295 C VAL A 85 1.383 -16.765 2.127 1.00 0.00 C ATOM 1296 O VAL A 85 1.309 -17.528 1.114 1.00 0.00 O ATOM 1297 CB VAL A 85 1.417 -18.325 4.153 1.00 0.00 C ATOM 1298 CG1 VAL A 85 0.935 -18.660 5.592 1.00 0.00 C ATOM 1299 CG2 VAL A 85 1.374 -19.668 3.386 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.053 -15.688 2.065 1.00 0.00 O ATOM 0 H VAL A 85 -0.668 -18.000 2.092 1.00 0.00 H new ATOM 0 HA VAL A 85 0.637 -16.325 4.138 1.00 0.00 H new ATOM 0 HB VAL A 85 2.423 -17.909 4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.525 -19.486 5.990 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.058 -17.785 6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.117 -18.945 5.566 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.911 -20.428 3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.338 -19.978 3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.844 -19.545 2.410 1.00 0.00 H new TER 1310 VAL A 85