USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 618 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 48:sc= 0.333 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -10:sc= 0.811 USER MOD Single : A 18 LYS NZ :NH3+ -148:sc= -0.103 (180deg=-0.91) USER MOD Single : A 20 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.45) USER MOD Single : A 22 THR OG1 : rot 138:sc= 0.441 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.692 USER MOD Single : A 28 GLN : amide:sc= -6.46! C(o=-6.5!,f=-7.1!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 177:sc= -7.04! (180deg=-7.33!) USER MOD Single : A 44 GLN : amide:sc= -0.0125 X(o=-0.012,f=-0.062) USER MOD Single : A 46 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.1) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 95:sc= -0.161 USER MOD Single : A 56 GLN : amide:sc= -4.6! C(o=-4.6!,f=-5.3!) USER MOD Single : A 58 THR OG1 : rot -144:sc= 0.802 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -2.02 K(o=-2,f=-3.1) USER MOD Single : A 72 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.8) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 40:sc= 0.682 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.251 -2.884 13.810 1.00 0.00 N ATOM 2 CA GLY A 1 -13.129 -3.156 12.927 1.00 0.00 C ATOM 3 C GLY A 1 -13.546 -4.076 11.778 1.00 0.00 C ATOM 4 O GLY A 1 -13.585 -5.295 11.938 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.942 -2.258 14.581 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.012 -2.422 13.272 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.603 -3.777 14.209 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.742 -2.219 12.526 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.320 -3.618 13.493 1.00 0.00 H new ATOM 8 N SER A 2 -13.846 -3.458 10.646 1.00 0.00 N ATOM 9 CA SER A 2 -14.258 -4.206 9.471 1.00 0.00 C ATOM 10 C SER A 2 -13.083 -5.026 8.934 1.00 0.00 C ATOM 11 O SER A 2 -11.930 -4.752 9.261 1.00 0.00 O ATOM 12 CB SER A 2 -14.795 -3.273 8.384 1.00 0.00 C ATOM 13 OG SER A 2 -16.203 -3.080 8.493 1.00 0.00 O ATOM 0 H SER A 2 -13.812 -2.447 10.517 1.00 0.00 H new ATOM 0 HA SER A 2 -15.062 -4.882 9.761 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.291 -2.309 8.452 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.561 -3.687 7.403 1.00 0.00 H new ATOM 0 HG SER A 2 -16.507 -2.477 7.782 1.00 0.00 H new ATOM 19 N SER A 3 -13.417 -6.015 8.118 1.00 0.00 N ATOM 20 CA SER A 3 -12.404 -6.876 7.532 1.00 0.00 C ATOM 21 C SER A 3 -11.553 -7.508 8.636 1.00 0.00 C ATOM 22 O SER A 3 -10.453 -7.036 8.922 1.00 0.00 O ATOM 23 CB SER A 3 -11.517 -6.099 6.557 1.00 0.00 C ATOM 24 OG SER A 3 -10.458 -6.902 6.043 1.00 0.00 O ATOM 0 H SER A 3 -14.375 -6.239 7.849 1.00 0.00 H new ATOM 0 HA SER A 3 -12.907 -7.665 6.973 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.124 -5.728 5.731 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.099 -5.228 7.062 1.00 0.00 H new ATOM 0 HG SER A 3 -9.916 -6.371 5.424 1.00 0.00 H new ATOM 30 N GLY A 4 -12.093 -8.564 9.224 1.00 0.00 N ATOM 31 CA GLY A 4 -11.397 -9.265 10.290 1.00 0.00 C ATOM 32 C GLY A 4 -12.356 -9.629 11.425 1.00 0.00 C ATOM 33 O GLY A 4 -12.193 -9.166 12.553 1.00 0.00 O ATOM 0 H GLY A 4 -13.005 -8.952 8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.936 -10.170 9.894 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.592 -8.640 10.676 1.00 0.00 H new ATOM 37 N SER A 5 -13.335 -10.455 11.087 1.00 0.00 N ATOM 38 CA SER A 5 -14.321 -10.886 12.064 1.00 0.00 C ATOM 39 C SER A 5 -15.162 -12.027 11.489 1.00 0.00 C ATOM 40 O SER A 5 -15.989 -11.809 10.605 1.00 0.00 O ATOM 41 CB SER A 5 -15.221 -9.725 12.489 1.00 0.00 C ATOM 42 OG SER A 5 -14.844 -9.193 13.756 1.00 0.00 O ATOM 0 H SER A 5 -13.467 -10.837 10.151 1.00 0.00 H new ATOM 0 HA SER A 5 -13.793 -11.242 12.949 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.176 -8.937 11.737 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.256 -10.065 12.532 1.00 0.00 H new ATOM 0 HG SER A 5 -13.877 -9.036 13.770 1.00 0.00 H new ATOM 48 N SER A 6 -14.923 -13.220 12.016 1.00 0.00 N ATOM 49 CA SER A 6 -15.649 -14.395 11.566 1.00 0.00 C ATOM 50 C SER A 6 -15.471 -14.575 10.057 1.00 0.00 C ATOM 51 O SER A 6 -16.041 -13.823 9.268 1.00 0.00 O ATOM 52 CB SER A 6 -17.135 -14.293 11.917 1.00 0.00 C ATOM 53 OG SER A 6 -17.405 -14.759 13.236 1.00 0.00 O ATOM 0 H SER A 6 -14.237 -13.397 12.750 1.00 0.00 H new ATOM 0 HA SER A 6 -15.241 -15.266 12.080 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.459 -13.256 11.825 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.717 -14.873 11.201 1.00 0.00 H new ATOM 0 HG SER A 6 -18.363 -14.676 13.422 1.00 0.00 H new ATOM 59 N GLY A 7 -14.679 -15.575 9.702 1.00 0.00 N ATOM 60 CA GLY A 7 -14.419 -15.862 8.301 1.00 0.00 C ATOM 61 C GLY A 7 -14.819 -17.297 7.953 1.00 0.00 C ATOM 62 O GLY A 7 -15.051 -18.114 8.842 1.00 0.00 O ATOM 0 H GLY A 7 -14.209 -16.197 10.359 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.973 -15.164 7.674 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.361 -15.713 8.086 1.00 0.00 H new ATOM 66 N SER A 8 -14.889 -17.560 6.656 1.00 0.00 N ATOM 67 CA SER A 8 -15.258 -18.882 6.178 1.00 0.00 C ATOM 68 C SER A 8 -14.662 -19.122 4.790 1.00 0.00 C ATOM 69 O SER A 8 -15.308 -18.853 3.778 1.00 0.00 O ATOM 70 CB SER A 8 -16.778 -19.049 6.140 1.00 0.00 C ATOM 71 OG SER A 8 -17.214 -20.152 6.930 1.00 0.00 O ATOM 0 H SER A 8 -14.696 -16.880 5.921 1.00 0.00 H new ATOM 0 HA SER A 8 -14.856 -19.621 6.871 1.00 0.00 H new ATOM 0 HB2 SER A 8 -17.252 -18.136 6.500 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.101 -19.191 5.109 1.00 0.00 H new ATOM 0 HG SER A 8 -18.190 -20.224 6.881 1.00 0.00 H new ATOM 77 N SER A 9 -13.436 -19.625 4.786 1.00 0.00 N ATOM 78 CA SER A 9 -12.746 -19.905 3.538 1.00 0.00 C ATOM 79 C SER A 9 -11.624 -20.917 3.776 1.00 0.00 C ATOM 80 O SER A 9 -11.007 -20.928 4.841 1.00 0.00 O ATOM 81 CB SER A 9 -12.182 -18.623 2.922 1.00 0.00 C ATOM 82 OG SER A 9 -13.206 -17.680 2.619 1.00 0.00 O ATOM 0 H SER A 9 -12.903 -19.846 5.627 1.00 0.00 H new ATOM 0 HA SER A 9 -13.465 -20.328 2.837 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.468 -18.173 3.612 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.635 -18.869 2.012 1.00 0.00 H new ATOM 0 HG SER A 9 -14.083 -18.108 2.712 1.00 0.00 H new ATOM 88 N ALA A 10 -11.393 -21.745 2.768 1.00 0.00 N ATOM 89 CA ALA A 10 -10.356 -22.759 2.854 1.00 0.00 C ATOM 90 C ALA A 10 -9.633 -22.858 1.509 1.00 0.00 C ATOM 91 O ALA A 10 -9.941 -23.729 0.697 1.00 0.00 O ATOM 92 CB ALA A 10 -10.978 -24.090 3.281 1.00 0.00 C ATOM 0 H ALA A 10 -11.907 -21.734 1.887 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.616 -22.488 3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.200 -24.851 3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.454 -23.974 4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.724 -24.395 2.547 1.00 0.00 H new ATOM 98 N GLU A 11 -8.684 -21.954 1.316 1.00 0.00 N ATOM 99 CA GLU A 11 -7.914 -21.928 0.084 1.00 0.00 C ATOM 100 C GLU A 11 -8.850 -21.885 -1.126 1.00 0.00 C ATOM 101 O GLU A 11 -9.156 -22.919 -1.716 1.00 0.00 O ATOM 102 CB GLU A 11 -6.969 -23.129 0.003 1.00 0.00 C ATOM 103 CG GLU A 11 -5.590 -22.779 0.564 1.00 0.00 C ATOM 104 CD GLU A 11 -4.870 -24.032 1.069 1.00 0.00 C ATOM 105 OE1 GLU A 11 -5.361 -24.607 2.064 1.00 0.00 O ATOM 106 OE2 GLU A 11 -3.844 -24.386 0.448 1.00 0.00 O ATOM 0 H GLU A 11 -8.431 -21.234 1.992 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.303 -21.025 0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.390 -23.966 0.560 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.873 -23.452 -1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.991 -22.297 -0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.696 -22.063 1.379 1.00 0.00 H new ATOM 113 N ALA A 12 -9.278 -20.676 -1.459 1.00 0.00 N ATOM 114 CA ALA A 12 -10.173 -20.484 -2.588 1.00 0.00 C ATOM 115 C ALA A 12 -10.211 -18.999 -2.956 1.00 0.00 C ATOM 116 O ALA A 12 -9.711 -18.158 -2.210 1.00 0.00 O ATOM 117 CB ALA A 12 -11.557 -21.034 -2.242 1.00 0.00 C ATOM 0 H ALA A 12 -9.022 -19.820 -0.967 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.814 -21.031 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.228 -20.890 -3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.480 -22.098 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.951 -20.507 -1.373 1.00 0.00 H new ATOM 123 N GLY A 13 -10.808 -18.722 -4.106 1.00 0.00 N ATOM 124 CA GLY A 13 -10.918 -17.354 -4.582 1.00 0.00 C ATOM 125 C GLY A 13 -11.264 -17.318 -6.072 1.00 0.00 C ATOM 126 O GLY A 13 -10.453 -17.705 -6.911 1.00 0.00 O ATOM 0 H GLY A 13 -11.221 -19.422 -4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.685 -16.828 -4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.978 -16.829 -4.410 1.00 0.00 H new ATOM 130 N GLY A 14 -12.471 -16.849 -6.355 1.00 0.00 N ATOM 131 CA GLY A 14 -12.935 -16.758 -7.729 1.00 0.00 C ATOM 132 C GLY A 14 -12.015 -15.860 -8.559 1.00 0.00 C ATOM 133 O GLY A 14 -11.510 -14.854 -8.063 1.00 0.00 O ATOM 0 H GLY A 14 -13.141 -16.528 -5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.973 -17.754 -8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.950 -16.362 -7.748 1.00 0.00 H new ATOM 137 N GLY A 15 -11.826 -16.256 -9.809 1.00 0.00 N ATOM 138 CA GLY A 15 -10.976 -15.500 -10.713 1.00 0.00 C ATOM 139 C GLY A 15 -11.738 -14.322 -11.325 1.00 0.00 C ATOM 140 O GLY A 15 -12.110 -14.361 -12.497 1.00 0.00 O ATOM 0 H GLY A 15 -12.247 -17.091 -10.217 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.102 -15.132 -10.175 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.611 -16.153 -11.506 1.00 0.00 H new ATOM 144 N ILE A 16 -11.947 -13.303 -10.505 1.00 0.00 N ATOM 145 CA ILE A 16 -12.657 -12.117 -10.950 1.00 0.00 C ATOM 146 C ILE A 16 -11.727 -10.905 -10.856 1.00 0.00 C ATOM 147 O ILE A 16 -11.313 -10.520 -9.764 1.00 0.00 O ATOM 148 CB ILE A 16 -13.964 -11.951 -10.173 1.00 0.00 C ATOM 149 CG1 ILE A 16 -14.892 -10.951 -10.867 1.00 0.00 C ATOM 150 CG2 ILE A 16 -13.691 -11.565 -8.718 1.00 0.00 C ATOM 151 CD1 ILE A 16 -16.163 -11.640 -11.368 1.00 0.00 C ATOM 0 H ILE A 16 -11.637 -13.275 -9.534 1.00 0.00 H new ATOM 0 HA ILE A 16 -12.946 -12.217 -11.996 1.00 0.00 H new ATOM 0 HB ILE A 16 -14.478 -12.912 -10.161 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.156 -10.152 -10.174 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -14.371 -10.487 -11.705 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -14.637 -11.453 -8.188 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -13.097 -12.344 -8.240 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.145 -10.622 -8.688 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -16.805 -10.908 -11.857 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -15.897 -12.422 -12.079 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -16.694 -12.082 -10.525 1.00 0.00 H new ATOM 163 N ARG A 17 -11.427 -10.338 -12.015 1.00 0.00 N ATOM 164 CA ARG A 17 -10.554 -9.178 -12.077 1.00 0.00 C ATOM 165 C ARG A 17 -11.380 -7.900 -12.230 1.00 0.00 C ATOM 166 O ARG A 17 -11.928 -7.635 -13.299 1.00 0.00 O ATOM 167 CB ARG A 17 -9.574 -9.288 -13.247 1.00 0.00 C ATOM 168 CG ARG A 17 -8.350 -8.397 -13.022 1.00 0.00 C ATOM 169 CD ARG A 17 -7.270 -8.675 -14.070 1.00 0.00 C ATOM 170 NE ARG A 17 -7.499 -7.836 -15.267 1.00 0.00 N ATOM 171 CZ ARG A 17 -8.328 -8.165 -16.267 1.00 0.00 C ATOM 172 NH1 ARG A 17 -9.013 -9.315 -16.220 1.00 0.00 N ATOM 173 NH2 ARG A 17 -8.473 -7.342 -17.315 1.00 0.00 N ATOM 0 H ARG A 17 -11.773 -10.660 -12.919 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.988 -9.139 -11.147 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.257 -10.324 -13.365 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.073 -9.000 -14.172 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.645 -7.349 -13.068 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.947 -8.571 -12.024 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.285 -8.467 -13.653 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.283 -9.729 -14.347 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.994 -6.952 -15.335 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.904 -9.941 -15.422 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.644 -9.564 -16.982 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.952 -6.466 -17.351 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.104 -7.592 -18.076 1.00 0.00 H new ATOM 187 N LYS A 18 -11.443 -7.140 -11.146 1.00 0.00 N ATOM 188 CA LYS A 18 -12.194 -5.896 -11.147 1.00 0.00 C ATOM 189 C LYS A 18 -11.218 -4.717 -11.124 1.00 0.00 C ATOM 190 O LYS A 18 -10.005 -4.912 -11.059 1.00 0.00 O ATOM 191 CB LYS A 18 -13.205 -5.879 -10.000 1.00 0.00 C ATOM 192 CG LYS A 18 -12.497 -5.895 -8.644 1.00 0.00 C ATOM 193 CD LYS A 18 -13.170 -4.934 -7.662 1.00 0.00 C ATOM 194 CE LYS A 18 -12.702 -3.496 -7.895 1.00 0.00 C ATOM 195 NZ LYS A 18 -13.860 -2.575 -7.938 1.00 0.00 N ATOM 0 H LYS A 18 -10.986 -7.362 -10.261 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.782 -5.807 -12.060 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.832 -4.991 -10.076 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.865 -6.743 -10.080 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.509 -6.905 -8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.451 -5.616 -8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.253 -4.991 -7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.941 -5.234 -6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.020 -3.196 -7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.146 -3.435 -8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.655 -1.789 -8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.700 -3.089 -8.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.040 -2.199 -6.985 1.00 0.00 H new ATOM 209 N ARG A 19 -11.784 -3.520 -11.178 1.00 0.00 N ATOM 210 CA ARG A 19 -10.979 -2.311 -11.164 1.00 0.00 C ATOM 211 C ARG A 19 -11.878 -1.075 -11.243 1.00 0.00 C ATOM 212 O ARG A 19 -12.318 -0.691 -12.325 1.00 0.00 O ATOM 213 CB ARG A 19 -9.994 -2.291 -12.334 1.00 0.00 C ATOM 214 CG ARG A 19 -8.557 -2.122 -11.837 1.00 0.00 C ATOM 215 CD ARG A 19 -7.583 -2.945 -12.683 1.00 0.00 C ATOM 216 NE ARG A 19 -6.620 -2.050 -13.361 1.00 0.00 N ATOM 217 CZ ARG A 19 -5.674 -2.471 -14.212 1.00 0.00 C ATOM 218 NH1 ARG A 19 -5.559 -3.776 -14.493 1.00 0.00 N ATOM 219 NH2 ARG A 19 -4.843 -1.587 -14.781 1.00 0.00 N ATOM 0 H ARG A 19 -12.790 -3.362 -11.232 1.00 0.00 H new ATOM 0 HA ARG A 19 -10.417 -2.298 -10.230 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -10.080 -3.217 -12.902 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.246 -1.476 -13.013 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.277 -1.069 -11.875 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.490 -2.432 -10.794 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.049 -3.655 -12.051 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.133 -3.528 -13.422 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.680 -1.050 -13.169 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.191 -4.449 -14.059 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.839 -4.097 -15.141 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.930 -0.594 -14.566 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.123 -1.907 -15.429 1.00 0.00 H new ATOM 233 N HIS A 20 -12.123 -0.486 -10.081 1.00 0.00 N ATOM 234 CA HIS A 20 -12.962 0.698 -10.005 1.00 0.00 C ATOM 235 C HIS A 20 -12.235 1.883 -10.644 1.00 0.00 C ATOM 236 O HIS A 20 -12.623 2.350 -11.714 1.00 0.00 O ATOM 237 CB HIS A 20 -13.385 0.972 -8.560 1.00 0.00 C ATOM 238 CG HIS A 20 -14.874 1.144 -8.379 1.00 0.00 C ATOM 239 ND1 HIS A 20 -15.804 0.309 -8.974 1.00 0.00 N ATOM 240 CD2 HIS A 20 -15.585 2.063 -7.664 1.00 0.00 C ATOM 241 CE1 HIS A 20 -17.015 0.716 -8.626 1.00 0.00 C ATOM 242 NE2 HIS A 20 -16.878 1.804 -7.815 1.00 0.00 N ATOM 0 H HIS A 20 -11.755 -0.807 -9.185 1.00 0.00 H new ATOM 0 HA HIS A 20 -13.881 0.534 -10.567 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -13.045 0.150 -7.930 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -12.880 1.872 -8.209 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -15.167 2.866 -7.075 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -17.948 0.265 -8.931 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -17.643 2.331 -7.394 1.00 0.00 H new ATOM 250 N ARG A 21 -11.193 2.336 -9.961 1.00 0.00 N ATOM 251 CA ARG A 21 -10.409 3.457 -10.449 1.00 0.00 C ATOM 252 C ARG A 21 -9.208 3.703 -9.534 1.00 0.00 C ATOM 253 O ARG A 21 -9.281 4.514 -8.612 1.00 0.00 O ATOM 254 CB ARG A 21 -11.254 4.730 -10.523 1.00 0.00 C ATOM 255 CG ARG A 21 -10.514 5.837 -11.276 1.00 0.00 C ATOM 256 CD ARG A 21 -11.476 6.642 -12.153 1.00 0.00 C ATOM 257 NE ARG A 21 -10.785 7.092 -13.382 1.00 0.00 N ATOM 258 CZ ARG A 21 -11.415 7.537 -14.477 1.00 0.00 C ATOM 259 NH1 ARG A 21 -12.753 7.595 -14.504 1.00 0.00 N ATOM 260 NH2 ARG A 21 -10.706 7.925 -15.546 1.00 0.00 N ATOM 0 H ARG A 21 -10.874 1.947 -9.074 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.061 3.207 -11.451 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.199 4.515 -11.022 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.496 5.069 -9.516 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.024 6.501 -10.564 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.731 5.400 -11.896 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.340 6.031 -12.415 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.850 7.504 -11.600 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.766 7.061 -13.396 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.293 7.300 -13.690 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.232 7.934 -15.338 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.687 7.881 -15.525 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.185 8.264 -16.380 1.00 0.00 H new ATOM 274 N THR A 22 -8.130 2.987 -9.820 1.00 0.00 N ATOM 275 CA THR A 22 -6.915 3.118 -9.033 1.00 0.00 C ATOM 276 C THR A 22 -5.967 4.129 -9.680 1.00 0.00 C ATOM 277 O THR A 22 -6.058 4.393 -10.878 1.00 0.00 O ATOM 278 CB THR A 22 -6.302 1.725 -8.876 1.00 0.00 C ATOM 279 OG1 THR A 22 -6.276 1.205 -10.203 1.00 0.00 O ATOM 280 CG2 THR A 22 -7.219 0.763 -8.117 1.00 0.00 C ATOM 0 H THR A 22 -8.073 2.315 -10.585 1.00 0.00 H new ATOM 0 HA THR A 22 -7.128 3.510 -8.038 1.00 0.00 H new ATOM 0 HB THR A 22 -5.349 1.806 -8.354 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.427 0.739 -10.355 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.736 -0.211 -8.034 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.415 1.157 -7.120 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.160 0.656 -8.656 1.00 0.00 H new ATOM 288 N LYS A 23 -5.079 4.669 -8.859 1.00 0.00 N ATOM 289 CA LYS A 23 -4.115 5.646 -9.336 1.00 0.00 C ATOM 290 C LYS A 23 -2.803 5.480 -8.566 1.00 0.00 C ATOM 291 O LYS A 23 -2.433 6.343 -7.771 1.00 0.00 O ATOM 292 CB LYS A 23 -4.700 7.058 -9.258 1.00 0.00 C ATOM 293 CG LYS A 23 -4.852 7.665 -10.654 1.00 0.00 C ATOM 294 CD LYS A 23 -3.528 8.256 -11.143 1.00 0.00 C ATOM 295 CE LYS A 23 -3.674 8.839 -12.550 1.00 0.00 C ATOM 296 NZ LYS A 23 -3.676 7.759 -13.561 1.00 0.00 N ATOM 0 H LYS A 23 -5.007 4.448 -7.866 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.890 5.477 -10.389 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.671 7.027 -8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.053 7.691 -8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.192 6.900 -11.352 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.616 8.442 -10.635 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.197 9.034 -10.455 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.759 7.483 -11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.599 9.411 -12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.856 9.531 -12.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.776 8.172 -14.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.782 7.230 -13.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.471 7.114 -13.379 1.00 0.00 H new ATOM 310 N PHE A 24 -2.137 4.366 -8.828 1.00 0.00 N ATOM 311 CA PHE A 24 -0.874 4.076 -8.169 1.00 0.00 C ATOM 312 C PHE A 24 0.248 4.957 -8.723 1.00 0.00 C ATOM 313 O PHE A 24 0.591 4.864 -9.900 1.00 0.00 O ATOM 314 CB PHE A 24 -0.545 2.610 -8.458 1.00 0.00 C ATOM 315 CG PHE A 24 -1.739 1.665 -8.314 1.00 0.00 C ATOM 316 CD1 PHE A 24 -2.309 1.469 -7.095 1.00 0.00 C ATOM 317 CD2 PHE A 24 -2.231 1.019 -9.406 1.00 0.00 C ATOM 318 CE1 PHE A 24 -3.417 0.591 -6.962 1.00 0.00 C ATOM 319 CE2 PHE A 24 -3.339 0.141 -9.273 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.909 -0.054 -8.053 1.00 0.00 C ATOM 0 H PHE A 24 -2.448 3.653 -9.488 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.959 4.271 -7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.151 2.530 -9.471 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.246 2.286 -7.782 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.919 1.981 -6.228 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.779 1.174 -10.374 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.869 0.435 -5.994 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.729 -0.372 -10.140 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.752 -0.721 -7.951 1.00 0.00 H new ATOM 330 N THR A 25 0.788 5.792 -7.847 1.00 0.00 N ATOM 331 CA THR A 25 1.864 6.688 -8.234 1.00 0.00 C ATOM 332 C THR A 25 3.219 5.997 -8.070 1.00 0.00 C ATOM 333 O THR A 25 3.304 4.922 -7.478 1.00 0.00 O ATOM 334 CB THR A 25 1.732 7.969 -7.407 1.00 0.00 C ATOM 335 OG1 THR A 25 3.033 8.550 -7.456 1.00 0.00 O ATOM 336 CG2 THR A 25 1.507 7.686 -5.920 1.00 0.00 C ATOM 0 H THR A 25 0.500 5.867 -6.871 1.00 0.00 H new ATOM 0 HA THR A 25 1.796 6.955 -9.289 1.00 0.00 H new ATOM 0 HB THR A 25 0.905 8.565 -7.792 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.037 9.387 -6.946 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.420 8.628 -5.379 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.590 7.110 -5.794 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.350 7.118 -5.526 1.00 0.00 H new ATOM 344 N ALA A 26 4.245 6.641 -8.606 1.00 0.00 N ATOM 345 CA ALA A 26 5.592 6.102 -8.528 1.00 0.00 C ATOM 346 C ALA A 26 5.793 5.440 -7.163 1.00 0.00 C ATOM 347 O ALA A 26 6.387 4.367 -7.070 1.00 0.00 O ATOM 348 CB ALA A 26 6.605 7.217 -8.790 1.00 0.00 C ATOM 0 H ALA A 26 4.170 7.532 -9.097 1.00 0.00 H new ATOM 0 HA ALA A 26 5.744 5.338 -9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.615 6.812 -8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.438 7.634 -9.783 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.485 8.001 -8.042 1.00 0.00 H new ATOM 354 N GLU A 27 5.286 6.109 -6.137 1.00 0.00 N ATOM 355 CA GLU A 27 5.402 5.599 -4.781 1.00 0.00 C ATOM 356 C GLU A 27 4.692 4.250 -4.658 1.00 0.00 C ATOM 357 O GLU A 27 5.338 3.217 -4.486 1.00 0.00 O ATOM 358 CB GLU A 27 4.848 6.604 -3.768 1.00 0.00 C ATOM 359 CG GLU A 27 5.778 6.733 -2.560 1.00 0.00 C ATOM 360 CD GLU A 27 5.190 7.684 -1.516 1.00 0.00 C ATOM 361 OE1 GLU A 27 4.107 7.350 -0.989 1.00 0.00 O ATOM 362 OE2 GLU A 27 5.838 8.725 -1.267 1.00 0.00 O ATOM 0 H GLU A 27 4.794 6.999 -6.218 1.00 0.00 H new ATOM 0 HA GLU A 27 6.459 5.453 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.727 7.577 -4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.859 6.286 -3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.939 5.752 -2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.752 7.100 -2.884 1.00 0.00 H new ATOM 369 N GLN A 28 3.371 4.301 -4.751 1.00 0.00 N ATOM 370 CA GLN A 28 2.566 3.095 -4.653 1.00 0.00 C ATOM 371 C GLN A 28 3.080 2.034 -5.627 1.00 0.00 C ATOM 372 O GLN A 28 3.218 0.867 -5.263 1.00 0.00 O ATOM 373 CB GLN A 28 1.088 3.401 -4.904 1.00 0.00 C ATOM 374 CG GLN A 28 0.577 4.469 -3.935 1.00 0.00 C ATOM 375 CD GLN A 28 0.597 3.956 -2.493 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.412 3.557 -1.935 1.00 0.00 O ATOM 377 NE2 GLN A 28 1.798 3.988 -1.924 1.00 0.00 N ATOM 0 H GLN A 28 2.838 5.159 -4.893 1.00 0.00 H new ATOM 0 HA GLN A 28 2.655 2.703 -3.640 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.953 3.742 -5.931 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.500 2.490 -4.790 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.195 5.363 -4.015 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.438 4.757 -4.208 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.602 4.334 -2.448 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.916 3.666 -0.963 1.00 0.00 H new ATOM 386 N LYS A 29 3.348 2.476 -6.847 1.00 0.00 N ATOM 387 CA LYS A 29 3.843 1.578 -7.877 1.00 0.00 C ATOM 388 C LYS A 29 5.136 0.918 -7.393 1.00 0.00 C ATOM 389 O LYS A 29 5.187 -0.298 -7.214 1.00 0.00 O ATOM 390 CB LYS A 29 3.991 2.318 -9.207 1.00 0.00 C ATOM 391 CG LYS A 29 3.148 1.657 -10.299 1.00 0.00 C ATOM 392 CD LYS A 29 3.623 2.080 -11.691 1.00 0.00 C ATOM 393 CE LYS A 29 3.427 3.582 -11.903 1.00 0.00 C ATOM 394 NZ LYS A 29 2.886 3.849 -13.255 1.00 0.00 N ATOM 0 H LYS A 29 3.232 3.444 -7.146 1.00 0.00 H new ATOM 0 HA LYS A 29 3.126 0.778 -8.062 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.685 3.357 -9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.039 2.328 -9.507 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.209 0.573 -10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.101 1.930 -10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.676 1.826 -11.813 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.072 1.527 -12.451 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.746 3.976 -11.148 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.378 4.100 -11.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.759 4.873 -13.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.549 3.491 -13.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.969 3.371 -13.363 1.00 0.00 H new ATOM 408 N GLU A 30 6.149 1.749 -7.196 1.00 0.00 N ATOM 409 CA GLU A 30 7.438 1.262 -6.736 1.00 0.00 C ATOM 410 C GLU A 30 7.273 0.459 -5.444 1.00 0.00 C ATOM 411 O GLU A 30 7.857 -0.613 -5.296 1.00 0.00 O ATOM 412 CB GLU A 30 8.424 2.416 -6.543 1.00 0.00 C ATOM 413 CG GLU A 30 8.816 3.033 -7.887 1.00 0.00 C ATOM 414 CD GLU A 30 10.335 3.168 -8.006 1.00 0.00 C ATOM 415 OE1 GLU A 30 10.876 4.089 -7.357 1.00 0.00 O ATOM 416 OE2 GLU A 30 10.922 2.346 -8.743 1.00 0.00 O ATOM 0 H GLU A 30 6.103 2.757 -7.347 1.00 0.00 H new ATOM 0 HA GLU A 30 7.848 0.602 -7.500 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.977 3.179 -5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.316 2.055 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.438 2.413 -8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.351 4.013 -7.991 1.00 0.00 H new ATOM 423 N ARG A 31 6.474 1.010 -4.541 1.00 0.00 N ATOM 424 CA ARG A 31 6.225 0.359 -3.267 1.00 0.00 C ATOM 425 C ARG A 31 5.819 -1.099 -3.486 1.00 0.00 C ATOM 426 O ARG A 31 6.403 -2.006 -2.894 1.00 0.00 O ATOM 427 CB ARG A 31 5.120 1.077 -2.489 1.00 0.00 C ATOM 428 CG ARG A 31 5.609 2.430 -1.965 1.00 0.00 C ATOM 429 CD ARG A 31 6.075 2.320 -0.513 1.00 0.00 C ATOM 430 NE ARG A 31 7.538 2.099 -0.466 1.00 0.00 N ATOM 431 CZ ARG A 31 8.449 3.037 -0.758 1.00 0.00 C ATOM 432 NH1 ARG A 31 8.053 4.265 -1.120 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.755 2.747 -0.689 1.00 0.00 N ATOM 0 H ARG A 31 5.991 1.900 -4.667 1.00 0.00 H new ATOM 0 HA ARG A 31 7.148 0.400 -2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.253 1.224 -3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.795 0.456 -1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.428 2.790 -2.587 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.806 3.164 -2.038 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.819 3.230 0.030 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.559 1.498 -0.018 1.00 0.00 H new ATOM 0 HE ARG A 31 7.873 1.175 -0.194 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.058 4.485 -1.173 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.746 4.980 -1.342 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.056 1.812 -0.414 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.448 3.461 -0.911 1.00 0.00 H new ATOM 447 N MET A 32 4.820 -1.281 -4.338 1.00 0.00 N ATOM 448 CA MET A 32 4.330 -2.614 -4.642 1.00 0.00 C ATOM 449 C MET A 32 5.384 -3.428 -5.395 1.00 0.00 C ATOM 450 O MET A 32 5.569 -4.613 -5.123 1.00 0.00 O ATOM 451 CB MET A 32 3.062 -2.510 -5.493 1.00 0.00 C ATOM 452 CG MET A 32 1.901 -1.934 -4.679 1.00 0.00 C ATOM 453 SD MET A 32 0.352 -2.278 -5.496 1.00 0.00 S ATOM 454 CE MET A 32 0.060 -0.703 -6.283 1.00 0.00 C ATOM 0 H MET A 32 4.337 -0.527 -4.827 1.00 0.00 H new ATOM 0 HA MET A 32 4.109 -3.122 -3.703 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.252 -1.877 -6.360 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.792 -3.496 -5.871 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.898 -2.367 -3.679 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.028 -0.858 -4.561 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.848 -0.759 -6.884 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.056 0.068 -5.522 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.905 -0.455 -6.925 1.00 0.00 H new ATOM 464 N LEU A 33 6.047 -2.759 -6.327 1.00 0.00 N ATOM 465 CA LEU A 33 7.078 -3.405 -7.121 1.00 0.00 C ATOM 466 C LEU A 33 8.189 -3.907 -6.196 1.00 0.00 C ATOM 467 O LEU A 33 8.650 -5.040 -6.332 1.00 0.00 O ATOM 468 CB LEU A 33 7.574 -2.466 -8.223 1.00 0.00 C ATOM 469 CG LEU A 33 7.094 -2.784 -9.641 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.470 -1.551 -10.297 1.00 0.00 C ATOM 471 CD2 LEU A 33 8.227 -3.372 -10.484 1.00 0.00 C ATOM 0 H LEU A 33 5.890 -1.776 -6.550 1.00 0.00 H new ATOM 0 HA LEU A 33 6.672 -4.276 -7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.264 -1.451 -7.975 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.664 -2.477 -8.219 1.00 0.00 H new ATOM 0 HG LEU A 33 6.314 -3.543 -9.577 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.137 -1.804 -11.304 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.617 -1.217 -9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.210 -0.753 -10.349 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.859 -3.589 -11.487 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.045 -2.655 -10.545 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.585 -4.292 -10.022 1.00 0.00 H new ATOM 483 N ALA A 34 8.586 -3.041 -5.276 1.00 0.00 N ATOM 484 CA ALA A 34 9.633 -3.382 -4.329 1.00 0.00 C ATOM 485 C ALA A 34 9.148 -4.516 -3.425 1.00 0.00 C ATOM 486 O ALA A 34 9.948 -5.313 -2.938 1.00 0.00 O ATOM 487 CB ALA A 34 10.032 -2.135 -3.537 1.00 0.00 C ATOM 0 H ALA A 34 8.201 -2.103 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 34 10.522 -3.735 -4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.818 -2.391 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.398 -1.370 -4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.165 -1.754 -2.997 1.00 0.00 H new ATOM 493 N LEU A 35 7.838 -4.553 -3.226 1.00 0.00 N ATOM 494 CA LEU A 35 7.236 -5.576 -2.389 1.00 0.00 C ATOM 495 C LEU A 35 7.131 -6.881 -3.182 1.00 0.00 C ATOM 496 O LEU A 35 7.555 -7.934 -2.709 1.00 0.00 O ATOM 497 CB LEU A 35 5.900 -5.089 -1.825 1.00 0.00 C ATOM 498 CG LEU A 35 5.007 -6.161 -1.196 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.395 -6.411 0.262 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.528 -5.797 -1.342 1.00 0.00 C ATOM 0 H LEU A 35 7.177 -3.890 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 35 7.866 -5.779 -1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.102 -4.326 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.343 -4.606 -2.628 1.00 0.00 H new ATOM 0 HG LEU A 35 5.163 -7.095 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.745 -7.177 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.431 -6.747 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.286 -5.488 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.915 -6.575 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.336 -4.846 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.277 -5.710 -2.399 1.00 0.00 H new ATOM 512 N ALA A 36 6.563 -6.767 -4.374 1.00 0.00 N ATOM 513 CA ALA A 36 6.397 -7.924 -5.236 1.00 0.00 C ATOM 514 C ALA A 36 7.771 -8.501 -5.580 1.00 0.00 C ATOM 515 O ALA A 36 7.870 -9.608 -6.107 1.00 0.00 O ATOM 516 CB ALA A 36 5.604 -7.523 -6.482 1.00 0.00 C ATOM 0 H ALA A 36 6.212 -5.891 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 36 5.831 -8.704 -4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.479 -8.391 -7.129 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.625 -7.148 -6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.143 -6.743 -7.021 1.00 0.00 H new ATOM 522 N GLU A 37 8.798 -7.724 -5.269 1.00 0.00 N ATOM 523 CA GLU A 37 10.163 -8.143 -5.538 1.00 0.00 C ATOM 524 C GLU A 37 10.762 -8.824 -4.306 1.00 0.00 C ATOM 525 O GLU A 37 11.831 -9.428 -4.384 1.00 0.00 O ATOM 526 CB GLU A 37 11.023 -6.958 -5.982 1.00 0.00 C ATOM 527 CG GLU A 37 10.893 -6.721 -7.488 1.00 0.00 C ATOM 528 CD GLU A 37 12.190 -6.150 -8.067 1.00 0.00 C ATOM 529 OE1 GLU A 37 12.412 -4.936 -7.873 1.00 0.00 O ATOM 530 OE2 GLU A 37 12.929 -6.942 -8.691 1.00 0.00 O ATOM 0 H GLU A 37 8.712 -6.806 -4.833 1.00 0.00 H new ATOM 0 HA GLU A 37 10.146 -8.864 -6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.720 -6.061 -5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.066 -7.146 -5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.649 -7.659 -7.988 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.070 -6.033 -7.682 1.00 0.00 H new ATOM 537 N ARG A 38 10.048 -8.704 -3.197 1.00 0.00 N ATOM 538 CA ARG A 38 10.495 -9.300 -1.950 1.00 0.00 C ATOM 539 C ARG A 38 9.654 -10.534 -1.619 1.00 0.00 C ATOM 540 O ARG A 38 10.086 -11.400 -0.860 1.00 0.00 O ATOM 541 CB ARG A 38 10.398 -8.301 -0.795 1.00 0.00 C ATOM 542 CG ARG A 38 8.967 -8.219 -0.260 1.00 0.00 C ATOM 543 CD ARG A 38 8.958 -7.868 1.229 1.00 0.00 C ATOM 544 NE ARG A 38 8.544 -6.460 1.415 1.00 0.00 N ATOM 545 CZ ARG A 38 8.789 -5.745 2.521 1.00 0.00 C ATOM 546 NH1 ARG A 38 9.447 -6.302 3.547 1.00 0.00 N ATOM 547 NH2 ARG A 38 8.376 -4.472 2.602 1.00 0.00 N ATOM 0 H ARG A 38 9.162 -8.202 -3.136 1.00 0.00 H new ATOM 0 HA ARG A 38 11.538 -9.590 -2.078 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.073 -8.600 0.007 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.721 -7.316 -1.133 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.409 -7.467 -0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.461 -9.172 -0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.276 -8.530 1.763 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.950 -8.023 1.654 1.00 0.00 H new ATOM 0 HE ARG A 38 8.040 -6.005 0.653 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.761 -7.270 3.486 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.634 -5.758 4.389 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.875 -4.048 1.821 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.563 -3.928 3.444 1.00 0.00 H new ATOM 561 N ILE A 39 8.466 -10.576 -2.206 1.00 0.00 N ATOM 562 CA ILE A 39 7.560 -11.690 -1.983 1.00 0.00 C ATOM 563 C ILE A 39 7.546 -12.586 -3.223 1.00 0.00 C ATOM 564 O ILE A 39 7.348 -13.795 -3.117 1.00 0.00 O ATOM 565 CB ILE A 39 6.176 -11.181 -1.577 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.509 -10.426 -2.728 1.00 0.00 C ATOM 567 CG2 ILE A 39 6.255 -10.334 -0.305 1.00 0.00 C ATOM 568 CD1 ILE A 39 4.024 -10.191 -2.443 1.00 0.00 C ATOM 0 H ILE A 39 8.110 -9.856 -2.835 1.00 0.00 H new ATOM 0 HA ILE A 39 7.906 -12.302 -1.150 1.00 0.00 H new ATOM 0 HB ILE A 39 5.548 -12.043 -1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.010 -9.470 -2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.620 -10.993 -3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.258 -9.985 -0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.658 -10.937 0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.905 -9.477 -0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.574 -9.652 -3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.521 -11.150 -2.317 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.917 -9.603 -1.532 1.00 0.00 H new ATOM 580 N GLY A 40 7.759 -11.958 -4.371 1.00 0.00 N ATOM 581 CA GLY A 40 7.773 -12.684 -5.629 1.00 0.00 C ATOM 582 C GLY A 40 6.456 -12.498 -6.384 1.00 0.00 C ATOM 583 O GLY A 40 6.049 -13.367 -7.154 1.00 0.00 O ATOM 0 H GLY A 40 7.923 -10.955 -4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.602 -12.335 -6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.941 -13.744 -5.439 1.00 0.00 H new ATOM 587 N TRP A 41 5.824 -11.359 -6.137 1.00 0.00 N ATOM 588 CA TRP A 41 4.561 -11.048 -6.784 1.00 0.00 C ATOM 589 C TRP A 41 3.553 -12.133 -6.399 1.00 0.00 C ATOM 590 O TRP A 41 2.765 -12.577 -7.233 1.00 0.00 O ATOM 591 CB TRP A 41 4.740 -10.908 -8.297 1.00 0.00 C ATOM 592 CG TRP A 41 5.869 -9.960 -8.705 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.186 -10.114 -8.511 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.727 -8.698 -9.390 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.900 -9.047 -9.018 1.00 0.00 N ATOM 596 CE2 TRP A 41 6.984 -8.159 -9.569 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.573 -8.033 -9.842 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.209 -6.931 -10.204 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.815 -6.807 -10.474 1.00 0.00 C ATOM 600 CH2 TRP A 41 6.075 -6.251 -10.662 1.00 0.00 C ATOM 0 H TRP A 41 6.164 -10.641 -5.497 1.00 0.00 H new ATOM 0 HA TRP A 41 4.181 -10.084 -6.446 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.935 -11.893 -8.722 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.806 -10.552 -8.732 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.633 -10.966 -8.020 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.913 -8.932 -8.993 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.579 -8.436 -9.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.204 -6.531 -10.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.963 -6.255 -10.841 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.178 -5.298 -11.160 1.00 0.00 H new ATOM 611 N ARG A 42 3.611 -12.528 -5.136 1.00 0.00 N ATOM 612 CA ARG A 42 2.713 -13.553 -4.630 1.00 0.00 C ATOM 613 C ARG A 42 2.262 -13.209 -3.209 1.00 0.00 C ATOM 614 O ARG A 42 3.001 -12.577 -2.456 1.00 0.00 O ATOM 615 CB ARG A 42 3.390 -14.925 -4.625 1.00 0.00 C ATOM 616 CG ARG A 42 2.379 -16.036 -4.914 1.00 0.00 C ATOM 617 CD ARG A 42 2.888 -17.386 -4.405 1.00 0.00 C ATOM 618 NE ARG A 42 2.749 -18.411 -5.463 1.00 0.00 N ATOM 619 CZ ARG A 42 2.831 -19.731 -5.247 1.00 0.00 C ATOM 620 NH1 ARG A 42 3.051 -20.194 -4.009 1.00 0.00 N ATOM 621 NH2 ARG A 42 2.692 -20.588 -6.268 1.00 0.00 N ATOM 0 H ARG A 42 4.266 -12.157 -4.448 1.00 0.00 H new ATOM 0 HA ARG A 42 1.847 -13.591 -5.291 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.183 -14.946 -5.373 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.860 -15.099 -3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.427 -15.799 -4.438 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.194 -16.094 -5.987 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.932 -17.300 -4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.326 -17.686 -3.521 1.00 0.00 H new ATOM 0 HE ARG A 42 2.580 -18.093 -6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.156 -19.542 -3.232 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.114 -21.199 -3.844 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.524 -20.236 -7.210 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.755 -21.593 -6.103 1.00 0.00 H new ATOM 635 N ILE A 43 1.052 -13.640 -2.886 1.00 0.00 N ATOM 636 CA ILE A 43 0.494 -13.386 -1.569 1.00 0.00 C ATOM 637 C ILE A 43 0.353 -14.710 -0.815 1.00 0.00 C ATOM 638 O ILE A 43 -0.066 -15.714 -1.389 1.00 0.00 O ATOM 639 CB ILE A 43 -0.815 -12.602 -1.684 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.580 -11.236 -2.331 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.503 -12.481 -0.322 1.00 0.00 C ATOM 642 CD1 ILE A 43 -1.789 -10.811 -3.168 1.00 0.00 C ATOM 0 H ILE A 43 0.442 -14.164 -3.514 1.00 0.00 H new ATOM 0 HA ILE A 43 1.166 -12.757 -0.986 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.489 -13.156 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.388 -10.492 -1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.308 -11.276 -2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.431 -11.920 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.725 -13.476 0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.844 -11.961 0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.596 -9.837 -3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.963 -11.545 -3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.670 -10.748 -2.529 1.00 0.00 H new ATOM 654 N GLN A 44 0.711 -14.670 0.460 1.00 0.00 N ATOM 655 CA GLN A 44 0.630 -15.854 1.298 1.00 0.00 C ATOM 656 C GLN A 44 0.289 -15.463 2.738 1.00 0.00 C ATOM 657 O GLN A 44 0.133 -14.282 3.043 1.00 0.00 O ATOM 658 CB GLN A 44 1.932 -16.656 1.242 1.00 0.00 C ATOM 659 CG GLN A 44 1.906 -17.663 0.090 1.00 0.00 C ATOM 660 CD GLN A 44 1.935 -19.099 0.617 1.00 0.00 C ATOM 661 OE1 GLN A 44 1.192 -19.475 1.509 1.00 0.00 O ATOM 662 NE2 GLN A 44 2.831 -19.877 0.017 1.00 0.00 N ATOM 0 H GLN A 44 1.058 -13.836 0.933 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.168 -16.491 0.916 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.776 -15.978 1.118 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.081 -17.181 2.186 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.010 -17.510 -0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.761 -17.495 -0.564 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.422 -19.498 -0.723 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.928 -20.853 0.297 1.00 0.00 H new ATOM 671 N ARG A 45 0.183 -16.477 3.583 1.00 0.00 N ATOM 672 CA ARG A 45 -0.137 -16.254 4.983 1.00 0.00 C ATOM 673 C ARG A 45 1.114 -15.824 5.751 1.00 0.00 C ATOM 674 O ARG A 45 1.059 -15.603 6.960 1.00 0.00 O ATOM 675 CB ARG A 45 -0.712 -17.519 5.625 1.00 0.00 C ATOM 676 CG ARG A 45 -1.211 -17.235 7.043 1.00 0.00 C ATOM 677 CD ARG A 45 -0.396 -18.014 8.077 1.00 0.00 C ATOM 678 NE ARG A 45 -1.165 -18.144 9.335 1.00 0.00 N ATOM 679 CZ ARG A 45 -0.652 -18.599 10.486 1.00 0.00 C ATOM 680 NH1 ARG A 45 0.634 -18.971 10.546 1.00 0.00 N ATOM 681 NH2 ARG A 45 -1.425 -18.683 11.577 1.00 0.00 N ATOM 0 H ARG A 45 0.313 -17.455 3.326 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.886 -15.464 5.030 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.532 -17.900 5.016 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.052 -18.296 5.653 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.142 -16.167 7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.263 -17.508 7.124 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.149 -19.002 7.688 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.547 -17.502 8.269 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.147 -17.870 9.325 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.222 -18.908 9.715 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.024 -19.317 11.422 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.404 -18.401 11.531 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.034 -19.029 12.453 1.00 0.00 H new ATOM 695 N GLN A 46 2.213 -15.718 5.018 1.00 0.00 N ATOM 696 CA GLN A 46 3.475 -15.318 5.615 1.00 0.00 C ATOM 697 C GLN A 46 3.746 -13.837 5.342 1.00 0.00 C ATOM 698 O GLN A 46 4.250 -13.124 6.209 1.00 0.00 O ATOM 699 CB GLN A 46 4.624 -16.189 5.104 1.00 0.00 C ATOM 700 CG GLN A 46 4.402 -17.659 5.467 1.00 0.00 C ATOM 701 CD GLN A 46 5.661 -18.267 6.088 1.00 0.00 C ATOM 702 OE1 GLN A 46 6.421 -17.611 6.781 1.00 0.00 O ATOM 703 NE2 GLN A 46 5.839 -19.553 5.802 1.00 0.00 N ATOM 0 H GLN A 46 2.255 -15.902 4.016 1.00 0.00 H new ATOM 0 HA GLN A 46 3.406 -15.462 6.693 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.709 -16.087 4.022 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.565 -15.843 5.532 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.570 -17.743 6.167 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.125 -18.220 4.574 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.164 -20.043 5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.651 -20.050 6.169 1.00 0.00 H new ATOM 712 N ASP A 47 3.400 -13.418 4.134 1.00 0.00 N ATOM 713 CA ASP A 47 3.600 -12.035 3.736 1.00 0.00 C ATOM 714 C ASP A 47 2.435 -11.187 4.251 1.00 0.00 C ATOM 715 O ASP A 47 2.483 -9.960 4.194 1.00 0.00 O ATOM 716 CB ASP A 47 3.644 -11.902 2.212 1.00 0.00 C ATOM 717 CG ASP A 47 4.633 -12.835 1.510 1.00 0.00 C ATOM 718 OD1 ASP A 47 5.822 -12.792 1.891 1.00 0.00 O ATOM 719 OD2 ASP A 47 4.176 -13.570 0.608 1.00 0.00 O ATOM 0 H ASP A 47 2.982 -14.012 3.418 1.00 0.00 H new ATOM 0 HA ASP A 47 4.547 -11.697 4.156 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.646 -12.091 1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.897 -10.872 1.959 1.00 0.00 H new ATOM 724 N ASP A 48 1.415 -11.876 4.742 1.00 0.00 N ATOM 725 CA ASP A 48 0.240 -11.202 5.267 1.00 0.00 C ATOM 726 C ASP A 48 0.679 -10.012 6.123 1.00 0.00 C ATOM 727 O ASP A 48 0.114 -8.925 6.018 1.00 0.00 O ATOM 728 CB ASP A 48 -0.586 -12.140 6.149 1.00 0.00 C ATOM 729 CG ASP A 48 -2.093 -12.115 5.887 1.00 0.00 C ATOM 730 OD1 ASP A 48 -2.512 -12.790 4.922 1.00 0.00 O ATOM 731 OD2 ASP A 48 -2.791 -11.422 6.658 1.00 0.00 O ATOM 0 H ASP A 48 1.378 -12.894 4.787 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.366 -10.875 4.422 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.225 -13.159 6.008 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.410 -11.881 7.193 1.00 0.00 H new ATOM 736 N GLU A 49 1.683 -10.260 6.951 1.00 0.00 N ATOM 737 CA GLU A 49 2.205 -9.222 7.825 1.00 0.00 C ATOM 738 C GLU A 49 2.711 -8.038 7.000 1.00 0.00 C ATOM 739 O GLU A 49 2.505 -6.884 7.373 1.00 0.00 O ATOM 740 CB GLU A 49 3.310 -9.772 8.729 1.00 0.00 C ATOM 741 CG GLU A 49 3.253 -9.131 10.117 1.00 0.00 C ATOM 742 CD GLU A 49 4.658 -8.827 10.640 1.00 0.00 C ATOM 743 OE1 GLU A 49 5.293 -7.916 10.065 1.00 0.00 O ATOM 744 OE2 GLU A 49 5.067 -9.513 11.602 1.00 0.00 O ATOM 0 H GLU A 49 2.149 -11.163 7.036 1.00 0.00 H new ATOM 0 HA GLU A 49 1.396 -8.873 8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.206 -10.853 8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.283 -9.582 8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.671 -8.211 10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.740 -9.799 10.809 1.00 0.00 H new ATOM 751 N VAL A 50 3.362 -8.364 5.893 1.00 0.00 N ATOM 752 CA VAL A 50 3.899 -7.340 5.012 1.00 0.00 C ATOM 753 C VAL A 50 2.759 -6.728 4.196 1.00 0.00 C ATOM 754 O VAL A 50 2.704 -5.512 4.015 1.00 0.00 O ATOM 755 CB VAL A 50 5.009 -7.931 4.140 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.834 -6.824 3.479 1.00 0.00 C ATOM 757 CG2 VAL A 50 5.903 -8.871 4.951 1.00 0.00 C ATOM 0 H VAL A 50 3.530 -9.322 5.586 1.00 0.00 H new ATOM 0 HA VAL A 50 4.352 -6.536 5.591 1.00 0.00 H new ATOM 0 HB VAL A 50 4.538 -8.516 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.616 -7.270 2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.186 -6.212 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.289 -6.200 4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.683 -9.277 4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.361 -8.319 5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.303 -9.687 5.353 1.00 0.00 H new ATOM 767 N ILE A 51 1.878 -7.597 3.724 1.00 0.00 N ATOM 768 CA ILE A 51 0.743 -7.157 2.931 1.00 0.00 C ATOM 769 C ILE A 51 -0.061 -6.127 3.728 1.00 0.00 C ATOM 770 O ILE A 51 -0.302 -5.019 3.251 1.00 0.00 O ATOM 771 CB ILE A 51 -0.085 -8.357 2.468 1.00 0.00 C ATOM 772 CG1 ILE A 51 0.783 -9.360 1.705 1.00 0.00 C ATOM 773 CG2 ILE A 51 -1.295 -7.905 1.647 1.00 0.00 C ATOM 774 CD1 ILE A 51 0.778 -9.059 0.204 1.00 0.00 C ATOM 0 H ILE A 51 1.927 -8.604 3.876 1.00 0.00 H new ATOM 0 HA ILE A 51 1.083 -6.663 2.021 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.468 -8.869 3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.805 -9.324 2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.414 -10.371 1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.866 -8.778 1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.927 -7.259 2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.954 -7.356 0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.402 -9.786 -0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.242 -9.120 -0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.170 -8.056 0.033 1.00 0.00 H new ATOM 786 N GLN A 52 -0.454 -6.529 4.927 1.00 0.00 N ATOM 787 CA GLN A 52 -1.225 -5.654 5.794 1.00 0.00 C ATOM 788 C GLN A 52 -0.395 -4.431 6.188 1.00 0.00 C ATOM 789 O GLN A 52 -0.858 -3.297 6.069 1.00 0.00 O ATOM 790 CB GLN A 52 -1.718 -6.405 7.033 1.00 0.00 C ATOM 791 CG GLN A 52 -3.153 -6.006 7.382 1.00 0.00 C ATOM 792 CD GLN A 52 -3.282 -5.668 8.868 1.00 0.00 C ATOM 793 OE1 GLN A 52 -3.193 -6.522 9.735 1.00 0.00 O ATOM 794 NE2 GLN A 52 -3.498 -4.379 9.113 1.00 0.00 N ATOM 0 H GLN A 52 -0.253 -7.449 5.319 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.102 -5.312 5.245 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.669 -7.479 6.855 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.062 -6.191 7.877 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.451 -5.146 6.783 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.832 -6.821 7.130 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.562 -3.717 8.340 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.600 -4.053 10.074 1.00 0.00 H new ATOM 803 N ARG A 53 0.817 -4.701 6.650 1.00 0.00 N ATOM 804 CA ARG A 53 1.715 -3.637 7.062 1.00 0.00 C ATOM 805 C ARG A 53 1.926 -2.646 5.916 1.00 0.00 C ATOM 806 O ARG A 53 1.938 -1.435 6.132 1.00 0.00 O ATOM 807 CB ARG A 53 3.071 -4.198 7.498 1.00 0.00 C ATOM 808 CG ARG A 53 4.115 -3.085 7.608 1.00 0.00 C ATOM 809 CD ARG A 53 3.724 -2.072 8.686 1.00 0.00 C ATOM 810 NE ARG A 53 4.851 -1.149 8.946 1.00 0.00 N ATOM 811 CZ ARG A 53 5.932 -1.469 9.670 1.00 0.00 C ATOM 812 NH1 ARG A 53 6.039 -2.690 10.211 1.00 0.00 N ATOM 813 NH2 ARG A 53 6.907 -0.567 9.853 1.00 0.00 N ATOM 0 H ARG A 53 1.198 -5.642 6.748 1.00 0.00 H new ATOM 0 HA ARG A 53 1.256 -3.126 7.909 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.968 -4.701 8.459 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.407 -4.947 6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.088 -3.516 7.844 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.215 -2.579 6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.848 -1.508 8.366 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.450 -2.593 9.604 1.00 0.00 H new ATOM 0 HE ARG A 53 4.802 -0.211 8.549 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.297 -3.376 10.072 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.862 -2.933 10.762 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.826 0.363 9.441 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.730 -0.810 10.404 1.00 0.00 H new ATOM 827 N PHE A 54 2.087 -3.197 4.722 1.00 0.00 N ATOM 828 CA PHE A 54 2.296 -2.377 3.541 1.00 0.00 C ATOM 829 C PHE A 54 1.137 -1.398 3.341 1.00 0.00 C ATOM 830 O PHE A 54 1.354 -0.234 3.006 1.00 0.00 O ATOM 831 CB PHE A 54 2.359 -3.325 2.342 1.00 0.00 C ATOM 832 CG PHE A 54 2.359 -2.616 0.987 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.182 -2.250 0.411 1.00 0.00 C ATOM 834 CD2 PHE A 54 3.535 -2.352 0.357 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.182 -1.592 -0.847 1.00 0.00 C ATOM 836 CE2 PHE A 54 3.535 -1.694 -0.901 1.00 0.00 C ATOM 837 CZ PHE A 54 2.358 -1.328 -1.477 1.00 0.00 C ATOM 0 H PHE A 54 2.077 -4.202 4.547 1.00 0.00 H new ATOM 0 HA PHE A 54 3.212 -1.797 3.649 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.259 -3.935 2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.508 -4.005 2.385 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.248 -2.460 0.911 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.469 -2.643 0.814 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.248 -1.301 -1.304 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.469 -1.484 -1.401 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.358 -0.828 -2.434 1.00 0.00 H new ATOM 847 N CYS A 55 -0.068 -1.905 3.555 1.00 0.00 N ATOM 848 CA CYS A 55 -1.261 -1.090 3.403 1.00 0.00 C ATOM 849 C CYS A 55 -1.211 0.034 4.440 1.00 0.00 C ATOM 850 O CYS A 55 -1.954 1.009 4.341 1.00 0.00 O ATOM 851 CB CYS A 55 -2.537 -1.925 3.528 1.00 0.00 C ATOM 852 SG CYS A 55 -4.006 -0.865 3.276 1.00 0.00 S ATOM 0 H CYS A 55 -0.244 -2.871 3.833 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.284 -0.659 2.402 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.528 -2.729 2.793 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.580 -2.393 4.512 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.377 -0.926 2.032 1.00 0.00 H new ATOM 858 N GLN A 56 -0.327 -0.140 5.411 1.00 0.00 N ATOM 859 CA GLN A 56 -0.170 0.848 6.466 1.00 0.00 C ATOM 860 C GLN A 56 0.806 1.942 6.028 1.00 0.00 C ATOM 861 O GLN A 56 0.640 3.107 6.386 1.00 0.00 O ATOM 862 CB GLN A 56 0.292 0.191 7.768 1.00 0.00 C ATOM 863 CG GLN A 56 1.618 0.787 8.243 1.00 0.00 C ATOM 864 CD GLN A 56 1.429 2.225 8.732 1.00 0.00 C ATOM 865 OE1 GLN A 56 2.094 3.149 8.294 1.00 0.00 O ATOM 866 NE2 GLN A 56 0.488 2.361 9.661 1.00 0.00 N ATOM 0 H GLN A 56 0.288 -0.950 5.490 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.140 1.308 6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.468 0.327 8.537 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.405 -0.883 7.617 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.028 0.176 9.048 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.342 0.768 7.428 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.032 1.545 9.983 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.286 3.281 10.051 1.00 0.00 H new ATOM 875 N GLU A 57 1.803 1.528 5.259 1.00 0.00 N ATOM 876 CA GLU A 57 2.806 2.458 4.768 1.00 0.00 C ATOM 877 C GLU A 57 2.321 3.131 3.483 1.00 0.00 C ATOM 878 O GLU A 57 2.640 4.292 3.228 1.00 0.00 O ATOM 879 CB GLU A 57 4.145 1.753 4.546 1.00 0.00 C ATOM 880 CG GLU A 57 4.142 0.971 3.231 1.00 0.00 C ATOM 881 CD GLU A 57 5.551 0.492 2.874 1.00 0.00 C ATOM 882 OE1 GLU A 57 6.407 0.520 3.785 1.00 0.00 O ATOM 883 OE2 GLU A 57 5.740 0.110 1.699 1.00 0.00 O ATOM 0 H GLU A 57 1.937 0.561 4.964 1.00 0.00 H new ATOM 0 HA GLU A 57 2.960 3.229 5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.950 2.488 4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.345 1.075 5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.473 0.114 3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.754 1.601 2.430 1.00 0.00 H new ATOM 890 N THR A 58 1.559 2.375 2.707 1.00 0.00 N ATOM 891 CA THR A 58 1.027 2.884 1.455 1.00 0.00 C ATOM 892 C THR A 58 -0.433 3.308 1.629 1.00 0.00 C ATOM 893 O THR A 58 -0.740 4.499 1.641 1.00 0.00 O ATOM 894 CB THR A 58 1.224 1.809 0.385 1.00 0.00 C ATOM 895 OG1 THR A 58 0.566 0.663 0.919 1.00 0.00 O ATOM 896 CG2 THR A 58 2.685 1.372 0.256 1.00 0.00 C ATOM 0 H THR A 58 1.297 1.413 2.921 1.00 0.00 H new ATOM 0 HA THR A 58 1.558 3.781 1.136 1.00 0.00 H new ATOM 0 HB THR A 58 0.871 2.184 -0.575 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.066 -0.144 0.676 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.769 0.608 -0.517 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.299 2.231 -0.014 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.028 0.965 1.207 1.00 0.00 H new ATOM 904 N GLY A 59 -1.294 2.309 1.758 1.00 0.00 N ATOM 905 CA GLY A 59 -2.715 2.564 1.930 1.00 0.00 C ATOM 906 C GLY A 59 -3.539 1.793 0.897 1.00 0.00 C ATOM 907 O GLY A 59 -4.766 1.882 0.885 1.00 0.00 O ATOM 0 H GLY A 59 -1.036 1.322 1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.021 2.274 2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.911 3.632 1.833 1.00 0.00 H new ATOM 911 N VAL A 60 -2.832 1.053 0.056 1.00 0.00 N ATOM 912 CA VAL A 60 -3.483 0.267 -0.979 1.00 0.00 C ATOM 913 C VAL A 60 -4.156 -0.950 -0.340 1.00 0.00 C ATOM 914 O VAL A 60 -3.626 -1.534 0.603 1.00 0.00 O ATOM 915 CB VAL A 60 -2.472 -0.110 -2.064 1.00 0.00 C ATOM 916 CG1 VAL A 60 -3.084 -1.089 -3.067 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.936 1.137 -2.771 1.00 0.00 C ATOM 0 H VAL A 60 -1.815 0.981 0.070 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.262 0.851 -1.469 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.632 -0.608 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.345 -1.341 -3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.394 -1.996 -2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.951 -0.629 -3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.220 0.841 -3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.762 1.675 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.444 1.784 -2.045 1.00 0.00 H new ATOM 927 N PRO A 61 -5.346 -1.305 -0.895 1.00 0.00 N ATOM 928 CA PRO A 61 -6.098 -2.441 -0.391 1.00 0.00 C ATOM 929 C PRO A 61 -5.459 -3.760 -0.831 1.00 0.00 C ATOM 930 O PRO A 61 -4.998 -3.882 -1.965 1.00 0.00 O ATOM 931 CB PRO A 61 -7.506 -2.253 -0.931 1.00 0.00 C ATOM 932 CG PRO A 61 -7.380 -1.279 -2.092 1.00 0.00 C ATOM 933 CD PRO A 61 -6.005 -0.636 -2.014 1.00 0.00 C ATOM 0 HA PRO A 61 -6.108 -2.489 0.698 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.928 -3.202 -1.261 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.170 -1.860 -0.161 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.505 -1.799 -3.042 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.160 -0.520 -2.039 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.449 -0.775 -2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.079 0.438 -1.845 1.00 0.00 H new ATOM 941 N ARG A 62 -5.453 -4.714 0.089 1.00 0.00 N ATOM 942 CA ARG A 62 -4.879 -6.019 -0.191 1.00 0.00 C ATOM 943 C ARG A 62 -5.419 -6.564 -1.514 1.00 0.00 C ATOM 944 O ARG A 62 -4.648 -6.935 -2.398 1.00 0.00 O ATOM 945 CB ARG A 62 -5.196 -7.011 0.930 1.00 0.00 C ATOM 946 CG ARG A 62 -4.493 -8.349 0.692 1.00 0.00 C ATOM 947 CD ARG A 62 -4.294 -9.105 2.007 1.00 0.00 C ATOM 948 NE ARG A 62 -5.455 -9.986 2.266 1.00 0.00 N ATOM 949 CZ ARG A 62 -5.809 -11.012 1.480 1.00 0.00 C ATOM 950 NH1 ARG A 62 -5.095 -11.293 0.382 1.00 0.00 N ATOM 951 NH2 ARG A 62 -6.877 -11.758 1.793 1.00 0.00 N ATOM 0 H ARG A 62 -5.836 -4.609 1.028 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.798 -5.899 -0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.882 -6.596 1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.273 -7.167 0.989 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.082 -8.956 0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.527 -8.177 0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.381 -9.698 1.960 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.173 -8.398 2.828 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.021 -9.801 3.094 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.281 -10.726 0.144 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.365 -12.074 -0.216 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.420 -11.545 2.629 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.147 -12.539 1.195 1.00 0.00 H new ATOM 965 N GLN A 63 -6.741 -6.596 -1.609 1.00 0.00 N ATOM 966 CA GLN A 63 -7.393 -7.090 -2.809 1.00 0.00 C ATOM 967 C GLN A 63 -6.782 -6.439 -4.052 1.00 0.00 C ATOM 968 O GLN A 63 -6.720 -7.057 -5.114 1.00 0.00 O ATOM 969 CB GLN A 63 -8.903 -6.849 -2.751 1.00 0.00 C ATOM 970 CG GLN A 63 -9.647 -7.809 -3.682 1.00 0.00 C ATOM 971 CD GLN A 63 -10.863 -7.127 -4.314 1.00 0.00 C ATOM 972 OE1 GLN A 63 -11.579 -6.367 -3.683 1.00 0.00 O ATOM 973 NE2 GLN A 63 -11.054 -7.440 -5.593 1.00 0.00 N ATOM 0 H GLN A 63 -7.377 -6.288 -0.874 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.231 -8.166 -2.870 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.257 -6.981 -1.729 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.122 -5.819 -3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.973 -8.158 -4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.968 -8.688 -3.123 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.416 -8.084 -6.061 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -11.838 -7.036 -6.105 1.00 0.00 H new ATOM 982 N VAL A 64 -6.344 -5.201 -3.878 1.00 0.00 N ATOM 983 CA VAL A 64 -5.740 -4.460 -4.972 1.00 0.00 C ATOM 984 C VAL A 64 -4.287 -4.909 -5.145 1.00 0.00 C ATOM 985 O VAL A 64 -3.848 -5.187 -6.260 1.00 0.00 O ATOM 986 CB VAL A 64 -5.875 -2.956 -4.723 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.724 -2.187 -5.374 1.00 0.00 C ATOM 988 CG2 VAL A 64 -7.228 -2.439 -5.216 1.00 0.00 C ATOM 0 H VAL A 64 -6.395 -4.692 -2.995 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.259 -4.669 -5.907 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.823 -2.788 -3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.844 -1.121 -5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.777 -2.527 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.730 -2.365 -6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.299 -1.368 -5.027 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.321 -2.626 -6.286 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.029 -2.954 -4.686 1.00 0.00 H new ATOM 998 N LEU A 65 -3.582 -4.966 -4.025 1.00 0.00 N ATOM 999 CA LEU A 65 -2.188 -5.377 -4.038 1.00 0.00 C ATOM 1000 C LEU A 65 -2.074 -6.759 -4.685 1.00 0.00 C ATOM 1001 O LEU A 65 -1.007 -7.137 -5.167 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.594 -5.306 -2.630 1.00 0.00 C ATOM 1003 CG LEU A 65 -0.076 -5.463 -2.533 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.357 -6.872 -2.944 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.640 -4.383 -3.348 1.00 0.00 C ATOM 0 H LEU A 65 -3.950 -4.734 -3.102 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.595 -4.691 -4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.869 -4.348 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.059 -6.082 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 65 0.216 -5.327 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.441 -6.957 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.113 -7.603 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.051 -7.061 -3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.718 -4.517 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.347 -4.463 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.366 -3.399 -2.968 1.00 0.00 H new ATOM 1017 N LYS A 66 -3.188 -7.475 -4.674 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.227 -8.807 -5.253 1.00 0.00 C ATOM 1019 C LYS A 66 -3.330 -8.694 -6.776 1.00 0.00 C ATOM 1020 O LYS A 66 -2.371 -8.986 -7.489 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.349 -9.634 -4.621 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.799 -10.755 -5.560 1.00 0.00 C ATOM 1023 CD LYS A 66 -5.669 -11.774 -4.820 1.00 0.00 C ATOM 1024 CE LYS A 66 -7.150 -11.402 -4.915 1.00 0.00 C ATOM 1025 NZ LYS A 66 -7.806 -12.164 -6.001 1.00 0.00 N ATOM 0 H LYS A 66 -4.071 -7.158 -4.273 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.304 -9.344 -5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.005 -10.060 -3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.195 -8.988 -4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.358 -10.332 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.926 -11.254 -5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.512 -12.766 -5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.369 -11.822 -3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.645 -11.610 -3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.252 -10.333 -5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.811 -11.900 -6.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.344 -11.945 -6.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.725 -13.183 -5.808 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.500 -8.269 -7.228 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.740 -8.114 -8.652 1.00 0.00 C ATOM 1041 C VAL A 67 -3.628 -7.258 -9.262 1.00 0.00 C ATOM 1042 O VAL A 67 -3.096 -7.589 -10.321 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.137 -7.535 -8.888 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.221 -8.525 -8.456 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -6.303 -6.194 -8.170 1.00 0.00 C ATOM 0 H VAL A 67 -5.292 -8.027 -6.633 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.716 -9.083 -9.151 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.250 -7.359 -9.958 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.204 -8.089 -8.634 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.123 -9.446 -9.031 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.109 -8.746 -7.395 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.304 -5.804 -8.354 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.160 -6.335 -7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.564 -5.486 -8.545 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.311 -6.175 -8.568 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.271 -5.270 -9.028 1.00 0.00 C ATOM 1057 C TRP A 68 -1.146 -6.110 -9.635 1.00 0.00 C ATOM 1058 O TRP A 68 -0.862 -6.006 -10.827 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.794 -4.361 -7.894 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.706 -3.369 -8.307 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.859 -2.109 -8.738 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.718 -3.605 -8.311 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.357 -1.519 -9.019 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.346 -2.458 -8.751 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.451 -4.751 -7.955 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.736 -2.345 -8.875 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.839 -4.622 -8.085 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.486 -3.474 -8.526 1.00 0.00 C ATOM 0 H TRP A 68 -3.756 -5.904 -7.691 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.656 -4.599 -9.796 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.647 -3.807 -7.503 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.417 -4.980 -7.080 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.814 -1.617 -8.851 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.503 -0.569 -9.360 1.00 0.00 H new ATOM 0 HE3 TRP A 68 0.980 -5.659 -7.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.204 -1.436 -9.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.449 -5.474 -7.824 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.563 -3.453 -8.599 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.536 -6.925 -8.787 1.00 0.00 N ATOM 1080 CA LEU A 69 0.551 -7.783 -9.225 1.00 0.00 C ATOM 1081 C LEU A 69 0.194 -8.402 -10.578 1.00 0.00 C ATOM 1082 O LEU A 69 1.005 -8.391 -11.503 1.00 0.00 O ATOM 1083 CB LEU A 69 0.887 -8.815 -8.146 1.00 0.00 C ATOM 1084 CG LEU A 69 1.214 -8.255 -6.761 1.00 0.00 C ATOM 1085 CD1 LEU A 69 0.818 -9.244 -5.662 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.687 -7.853 -6.666 1.00 0.00 C ATOM 0 H LEU A 69 -0.774 -7.009 -7.799 1.00 0.00 H new ATOM 0 HA LEU A 69 1.461 -7.200 -9.371 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.043 -9.498 -8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.738 -9.405 -8.488 1.00 0.00 H new ATOM 0 HG LEU A 69 0.623 -7.352 -6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.061 -8.821 -4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.253 -9.438 -5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.364 -10.178 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.893 -7.458 -5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.315 -8.726 -6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.904 -7.089 -7.412 1.00 0.00 H new ATOM 1098 N HIS A 70 -1.020 -8.926 -10.651 1.00 0.00 N ATOM 1099 CA HIS A 70 -1.495 -9.548 -11.876 1.00 0.00 C ATOM 1100 C HIS A 70 -1.639 -8.486 -12.968 1.00 0.00 C ATOM 1101 O HIS A 70 -1.279 -8.723 -14.120 1.00 0.00 O ATOM 1102 CB HIS A 70 -2.791 -10.320 -11.626 1.00 0.00 C ATOM 1103 CG HIS A 70 -3.055 -11.419 -12.628 1.00 0.00 C ATOM 1104 ND1 HIS A 70 -2.524 -12.691 -12.503 1.00 0.00 N ATOM 1105 CD2 HIS A 70 -3.798 -11.422 -13.771 1.00 0.00 C ATOM 1106 CE1 HIS A 70 -2.935 -13.418 -13.531 1.00 0.00 C ATOM 1107 NE2 HIS A 70 -3.724 -12.630 -14.316 1.00 0.00 N ATOM 0 H HIS A 70 -1.690 -8.933 -9.882 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.766 -10.280 -12.223 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.756 -10.754 -10.627 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.627 -9.621 -11.641 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.353 -10.584 -14.166 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.689 -14.453 -13.715 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.182 -12.921 -15.180 1.00 0.00 H new ATOM 1115 N ASN A 71 -2.165 -7.338 -12.567 1.00 0.00 N ATOM 1116 CA ASN A 71 -2.361 -6.240 -13.498 1.00 0.00 C ATOM 1117 C ASN A 71 -0.998 -5.702 -13.939 1.00 0.00 C ATOM 1118 O ASN A 71 -0.914 -4.908 -14.875 1.00 0.00 O ATOM 1119 CB ASN A 71 -3.132 -5.092 -12.841 1.00 0.00 C ATOM 1120 CG ASN A 71 -4.540 -5.537 -12.439 1.00 0.00 C ATOM 1121 OD1 ASN A 71 -5.179 -6.337 -13.102 1.00 0.00 O ATOM 1122 ND2 ASN A 71 -4.985 -4.974 -11.319 1.00 0.00 N ATOM 0 H ASN A 71 -2.461 -7.145 -11.610 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.929 -6.616 -14.349 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.592 -4.743 -11.961 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.196 -4.250 -13.531 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.914 -5.205 -10.966 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.397 -4.312 -10.813 1.00 0.00 H new ATOM 1129 N ASN A 72 0.034 -6.156 -13.245 1.00 0.00 N ATOM 1130 CA ASN A 72 1.389 -5.731 -13.554 1.00 0.00 C ATOM 1131 C ASN A 72 2.129 -6.870 -14.258 1.00 0.00 C ATOM 1132 O ASN A 72 2.280 -6.856 -15.479 1.00 0.00 O ATOM 1133 CB ASN A 72 2.161 -5.382 -12.280 1.00 0.00 C ATOM 1134 CG ASN A 72 1.736 -4.016 -11.738 1.00 0.00 C ATOM 1135 OD1 ASN A 72 2.513 -3.079 -11.664 1.00 0.00 O ATOM 1136 ND2 ASN A 72 0.461 -3.956 -11.363 1.00 0.00 N ATOM 0 H ASN A 72 -0.040 -6.814 -12.469 1.00 0.00 H new ATOM 0 HA ASN A 72 1.328 -4.849 -14.192 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.987 -6.147 -11.524 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.231 -5.378 -12.489 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.080 -3.088 -10.987 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.136 -4.778 -11.452 1.00 0.00 H new ATOM 1143 N LYS A 73 2.570 -7.830 -13.458 1.00 0.00 N ATOM 1144 CA LYS A 73 3.290 -8.975 -13.989 1.00 0.00 C ATOM 1145 C LYS A 73 2.523 -9.545 -15.184 1.00 0.00 C ATOM 1146 O LYS A 73 1.595 -10.333 -15.012 1.00 0.00 O ATOM 1147 CB LYS A 73 3.557 -9.999 -12.885 1.00 0.00 C ATOM 1148 CG LYS A 73 2.247 -10.572 -12.340 1.00 0.00 C ATOM 1149 CD LYS A 73 2.180 -12.086 -12.553 1.00 0.00 C ATOM 1150 CE LYS A 73 1.603 -12.788 -11.322 1.00 0.00 C ATOM 1151 NZ LYS A 73 1.877 -14.241 -11.378 1.00 0.00 N ATOM 0 H LYS A 73 2.443 -7.838 -12.446 1.00 0.00 H new ATOM 0 HA LYS A 73 4.271 -8.672 -14.355 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.177 -10.806 -13.275 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.117 -9.529 -12.076 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.162 -10.347 -11.277 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.402 -10.094 -12.836 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.564 -12.307 -13.424 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.178 -12.472 -12.762 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.039 -12.364 -10.417 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.528 -12.616 -11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.479 -14.702 -10.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.441 -14.644 -12.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.904 -14.400 -11.406 1.00 0.00 H new ATOM 1165 N HIS A 74 2.940 -9.123 -16.369 1.00 0.00 N ATOM 1166 CA HIS A 74 2.304 -9.582 -17.593 1.00 0.00 C ATOM 1167 C HIS A 74 3.282 -10.451 -18.385 1.00 0.00 C ATOM 1168 O HIS A 74 3.087 -11.659 -18.508 1.00 0.00 O ATOM 1169 CB HIS A 74 1.770 -8.399 -18.404 1.00 0.00 C ATOM 1170 CG HIS A 74 0.677 -8.767 -19.378 1.00 0.00 C ATOM 1171 ND1 HIS A 74 -0.669 -8.624 -19.085 1.00 0.00 N ATOM 1172 CD2 HIS A 74 0.743 -9.272 -20.644 1.00 0.00 C ATOM 1173 CE1 HIS A 74 -1.370 -9.028 -20.133 1.00 0.00 C ATOM 1174 NE2 HIS A 74 -0.494 -9.430 -21.098 1.00 0.00 N ATOM 0 H HIS A 74 3.710 -8.469 -16.508 1.00 0.00 H new ATOM 0 HA HIS A 74 1.440 -10.200 -17.349 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.391 -7.642 -17.717 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.595 -7.946 -18.954 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.649 -9.504 -21.185 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.447 -9.038 -20.210 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -0.748 -9.792 -22.017 1.00 0.00 H new ATOM 1182 N SER A 75 4.314 -9.802 -18.903 1.00 0.00 N ATOM 1183 CA SER A 75 5.324 -10.500 -19.681 1.00 0.00 C ATOM 1184 C SER A 75 6.180 -11.373 -18.762 1.00 0.00 C ATOM 1185 O SER A 75 6.226 -12.592 -18.924 1.00 0.00 O ATOM 1186 CB SER A 75 6.206 -9.514 -20.450 1.00 0.00 C ATOM 1187 OG SER A 75 7.153 -10.181 -21.280 1.00 0.00 O ATOM 0 H SER A 75 4.473 -8.800 -18.799 1.00 0.00 H new ATOM 0 HA SER A 75 4.818 -11.135 -20.408 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.578 -8.868 -21.063 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.732 -8.871 -19.744 1.00 0.00 H new ATOM 0 HG SER A 75 7.696 -9.518 -21.755 1.00 0.00 H new ATOM 1193 N GLY A 76 6.838 -10.717 -17.818 1.00 0.00 N ATOM 1194 CA GLY A 76 7.690 -11.418 -16.873 1.00 0.00 C ATOM 1195 C GLY A 76 8.827 -12.145 -17.595 1.00 0.00 C ATOM 1196 O GLY A 76 8.818 -12.256 -18.820 1.00 0.00 O ATOM 0 H GLY A 76 6.798 -9.706 -17.687 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.104 -10.709 -16.156 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.097 -12.135 -16.306 1.00 0.00 H new ATOM 1200 N PRO A 77 9.803 -12.633 -16.785 1.00 0.00 N ATOM 1201 CA PRO A 77 10.945 -13.346 -17.333 1.00 0.00 C ATOM 1202 C PRO A 77 10.551 -14.759 -17.768 1.00 0.00 C ATOM 1203 O PRO A 77 11.017 -15.742 -17.193 1.00 0.00 O ATOM 1204 CB PRO A 77 11.985 -13.334 -16.225 1.00 0.00 C ATOM 1205 CG PRO A 77 11.227 -13.027 -14.944 1.00 0.00 C ATOM 1206 CD PRO A 77 9.847 -12.520 -15.329 1.00 0.00 C ATOM 0 HA PRO A 77 11.339 -12.879 -18.236 1.00 0.00 H new ATOM 0 HB2 PRO A 77 12.494 -14.296 -16.157 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.750 -12.581 -16.416 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.146 -13.920 -14.325 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.758 -12.279 -14.356 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.062 -13.115 -14.862 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.700 -11.489 -15.007 1.00 0.00 H new ATOM 1214 N SER A 78 9.697 -14.816 -18.780 1.00 0.00 N ATOM 1215 CA SER A 78 9.236 -16.092 -19.299 1.00 0.00 C ATOM 1216 C SER A 78 9.823 -16.334 -20.691 1.00 0.00 C ATOM 1217 O SER A 78 9.379 -15.733 -21.668 1.00 0.00 O ATOM 1218 CB SER A 78 7.708 -16.146 -19.350 1.00 0.00 C ATOM 1219 OG SER A 78 7.165 -15.116 -20.172 1.00 0.00 O ATOM 0 H SER A 78 9.313 -13.999 -19.254 1.00 0.00 H new ATOM 0 HA SER A 78 9.578 -16.879 -18.626 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.392 -17.118 -19.730 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.308 -16.053 -18.340 1.00 0.00 H new ATOM 0 HG SER A 78 7.723 -15.006 -20.970 1.00 0.00 H new ATOM 1225 N SER A 79 10.811 -17.216 -20.737 1.00 0.00 N ATOM 1226 CA SER A 79 11.463 -17.544 -21.993 1.00 0.00 C ATOM 1227 C SER A 79 12.274 -18.832 -21.840 1.00 0.00 C ATOM 1228 O SER A 79 12.441 -19.337 -20.731 1.00 0.00 O ATOM 1229 CB SER A 79 12.365 -16.401 -22.461 1.00 0.00 C ATOM 1230 OG SER A 79 13.332 -16.046 -21.476 1.00 0.00 O ATOM 0 H SER A 79 11.176 -17.713 -19.925 1.00 0.00 H new ATOM 0 HA SER A 79 10.693 -17.695 -22.749 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.874 -16.694 -23.380 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.753 -15.531 -22.699 1.00 0.00 H new ATOM 0 HG SER A 79 13.889 -15.314 -21.814 1.00 0.00 H new ATOM 1236 N GLY A 80 12.758 -19.327 -22.970 1.00 0.00 N ATOM 1237 CA GLY A 80 13.548 -20.546 -22.975 1.00 0.00 C ATOM 1238 C GLY A 80 12.756 -21.710 -23.574 1.00 0.00 C ATOM 1239 O GLY A 80 11.527 -21.722 -23.521 1.00 0.00 O ATOM 0 H GLY A 80 12.618 -18.906 -23.888 1.00 0.00 H new ATOM 0 HA2 GLY A 80 14.461 -20.389 -23.549 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.850 -20.792 -21.957 1.00 0.00 H new TER 1243 GLY A 80