USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 641 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.108) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.444 USER MOD Single : A 27 TYR OH : rot 44:sc= 0 USER MOD Single : A 28 SER OG : rot 30:sc= 0.815 USER MOD Single : A 29 THR OG1 : rot 156:sc= -1.01 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -134:sc= -0.595! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.709 USER MOD Single : A 57 GLN : amide:sc= -0.51 X(o=-0.51,f=-0.51) USER MOD Single : A 58 THR OG1 : rot 48:sc= 0.153 USER MOD Single : A 59 THR OG1 : rot -152:sc= 0.202 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -128:sc= -0.178 (180deg=-2.82!) USER MOD Single : A 66 CYS SG : rot 180:sc= -5.43! USER MOD Single : A 68 ASN : amide:sc= -6.27! K(o=-6.3!,f=-3.7) USER MOD Single : A 72 LYS NZ :NH3+ 157:sc= -0.0101 (180deg=-0.238) USER MOD Single : A 73 TYR OH : rot 80:sc= -4.55! USER MOD Single : A 75 TYR OH : rot 83:sc= 1.22 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 35:sc= 0.955 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 8.598 -3.810 12.693 1.00 0.00 N ATOM 2 CA GLU A 7 8.399 -4.493 13.960 1.00 0.00 C ATOM 3 C GLU A 7 8.164 -5.987 13.727 1.00 0.00 C ATOM 4 O GLU A 7 8.480 -6.509 12.659 1.00 0.00 O ATOM 5 CB GLU A 7 7.240 -3.871 14.742 1.00 0.00 C ATOM 6 CG GLU A 7 7.491 -3.949 16.249 1.00 0.00 C ATOM 7 CD GLU A 7 7.444 -2.558 16.885 1.00 0.00 C ATOM 8 OE1 GLU A 7 6.327 -2.144 17.263 1.00 0.00 O ATOM 9 OE2 GLU A 7 8.527 -1.941 16.980 1.00 0.00 O ATOM 0 HA GLU A 7 9.302 -4.377 14.559 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.113 -2.830 14.444 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.312 -4.388 14.497 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.742 -4.591 16.713 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.463 -4.406 16.436 1.00 0.00 H new ATOM 16 N LYS A 8 7.611 -6.632 14.744 1.00 0.00 N ATOM 17 CA LYS A 8 7.330 -8.055 14.663 1.00 0.00 C ATOM 18 C LYS A 8 6.303 -8.306 13.557 1.00 0.00 C ATOM 19 O LYS A 8 6.162 -9.431 13.080 1.00 0.00 O ATOM 20 CB LYS A 8 6.906 -8.596 16.030 1.00 0.00 C ATOM 21 CG LYS A 8 6.692 -10.110 15.978 1.00 0.00 C ATOM 22 CD LYS A 8 5.241 -10.470 16.302 1.00 0.00 C ATOM 23 CE LYS A 8 4.443 -10.734 15.023 1.00 0.00 C ATOM 24 NZ LYS A 8 3.192 -11.461 15.334 1.00 0.00 N ATOM 0 H LYS A 8 7.350 -6.195 15.628 1.00 0.00 H new ATOM 0 HA LYS A 8 8.231 -8.606 14.393 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.669 -8.358 16.772 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.986 -8.106 16.350 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.951 -10.484 14.987 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.359 -10.600 16.687 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.215 -11.354 16.940 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.778 -9.658 16.863 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.209 -9.790 14.532 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.045 -11.316 14.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.662 -11.632 14.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.422 -12.371 15.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.612 -10.892 15.983 1.00 0.00 H new ATOM 38 N GLU A 9 5.613 -7.240 13.181 1.00 0.00 N ATOM 39 CA GLU A 9 4.604 -7.330 12.140 1.00 0.00 C ATOM 40 C GLU A 9 5.262 -7.594 10.784 1.00 0.00 C ATOM 41 O GLU A 9 4.650 -8.190 9.899 1.00 0.00 O ATOM 42 CB GLU A 9 3.746 -6.064 12.096 1.00 0.00 C ATOM 43 CG GLU A 9 2.440 -6.258 12.869 1.00 0.00 C ATOM 44 CD GLU A 9 1.494 -7.198 12.119 1.00 0.00 C ATOM 45 OE1 GLU A 9 1.914 -7.692 11.050 1.00 0.00 O ATOM 46 OE2 GLU A 9 0.372 -7.402 12.631 1.00 0.00 O ATOM 0 H GLU A 9 5.733 -6.309 13.579 1.00 0.00 H new ATOM 0 HA GLU A 9 3.946 -8.167 12.372 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.303 -5.228 12.520 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.525 -5.807 11.060 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.655 -6.665 13.857 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.956 -5.293 13.020 1.00 0.00 H new ATOM 53 N GLU A 10 6.500 -7.137 10.664 1.00 0.00 N ATOM 54 CA GLU A 10 7.247 -7.317 9.431 1.00 0.00 C ATOM 55 C GLU A 10 7.454 -8.806 9.147 1.00 0.00 C ATOM 56 O GLU A 10 7.474 -9.224 7.991 1.00 0.00 O ATOM 57 CB GLU A 10 8.587 -6.579 9.490 1.00 0.00 C ATOM 58 CG GLU A 10 9.451 -6.914 8.272 1.00 0.00 C ATOM 59 CD GLU A 10 10.402 -8.073 8.578 1.00 0.00 C ATOM 60 OE1 GLU A 10 10.729 -8.239 9.773 1.00 0.00 O ATOM 61 OE2 GLU A 10 10.782 -8.766 7.609 1.00 0.00 O ATOM 0 H GLU A 10 7.004 -6.643 11.400 1.00 0.00 H new ATOM 0 HA GLU A 10 6.668 -6.889 8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.413 -5.504 9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.117 -6.852 10.403 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.812 -7.176 7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.025 -6.036 7.976 1.00 0.00 H new ATOM 68 N LYS A 11 7.602 -9.566 10.223 1.00 0.00 N ATOM 69 CA LYS A 11 7.805 -11.000 10.104 1.00 0.00 C ATOM 70 C LYS A 11 6.514 -11.655 9.610 1.00 0.00 C ATOM 71 O LYS A 11 6.555 -12.663 8.907 1.00 0.00 O ATOM 72 CB LYS A 11 8.323 -11.578 11.422 1.00 0.00 C ATOM 73 CG LYS A 11 9.830 -11.354 11.564 1.00 0.00 C ATOM 74 CD LYS A 11 10.123 -10.144 12.454 1.00 0.00 C ATOM 75 CE LYS A 11 11.438 -10.328 13.213 1.00 0.00 C ATOM 76 NZ LYS A 11 11.750 -9.120 14.010 1.00 0.00 N ATOM 0 H LYS A 11 7.585 -9.216 11.181 1.00 0.00 H new ATOM 0 HA LYS A 11 8.575 -11.216 9.363 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.802 -11.111 12.258 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.105 -12.645 11.466 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.295 -12.244 11.989 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.273 -11.202 10.580 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.174 -9.243 11.843 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.307 -10.003 13.162 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.368 -11.196 13.869 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.247 -10.525 12.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.646 -9.262 14.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.838 -8.299 13.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.986 -8.949 14.695 1.00 0.00 H new ATOM 90 N ASP A 12 5.398 -11.055 9.997 1.00 0.00 N ATOM 91 CA ASP A 12 4.097 -11.567 9.602 1.00 0.00 C ATOM 92 C ASP A 12 3.906 -11.359 8.099 1.00 0.00 C ATOM 93 O ASP A 12 3.459 -12.263 7.395 1.00 0.00 O ATOM 94 CB ASP A 12 2.971 -10.829 10.329 1.00 0.00 C ATOM 95 CG ASP A 12 1.590 -11.478 10.210 1.00 0.00 C ATOM 96 OD1 ASP A 12 1.342 -12.429 10.982 1.00 0.00 O ATOM 97 OD2 ASP A 12 0.814 -11.008 9.350 1.00 0.00 O ATOM 0 H ASP A 12 5.368 -10.219 10.580 1.00 0.00 H new ATOM 0 HA ASP A 12 4.059 -12.626 9.859 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.230 -10.752 11.385 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.913 -9.812 9.940 1.00 0.00 H new ATOM 102 N PHE A 13 4.255 -10.162 7.651 1.00 0.00 N ATOM 103 CA PHE A 13 4.128 -9.823 6.243 1.00 0.00 C ATOM 104 C PHE A 13 5.135 -10.605 5.398 1.00 0.00 C ATOM 105 O PHE A 13 4.760 -11.256 4.424 1.00 0.00 O ATOM 106 CB PHE A 13 4.425 -8.328 6.115 1.00 0.00 C ATOM 107 CG PHE A 13 5.028 -7.927 4.767 1.00 0.00 C ATOM 108 CD1 PHE A 13 6.376 -7.966 4.587 1.00 0.00 C ATOM 109 CD2 PHE A 13 4.217 -7.531 3.749 1.00 0.00 C ATOM 110 CE1 PHE A 13 6.936 -7.594 3.336 1.00 0.00 C ATOM 111 CE2 PHE A 13 4.777 -7.159 2.499 1.00 0.00 C ATOM 112 CZ PHE A 13 6.125 -7.198 2.318 1.00 0.00 C ATOM 0 H PHE A 13 4.626 -9.415 8.238 1.00 0.00 H new ATOM 0 HA PHE A 13 3.127 -10.071 5.889 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.501 -7.770 6.269 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.111 -8.035 6.910 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.020 -8.280 5.395 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.147 -7.500 3.892 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.006 -7.625 3.193 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.133 -6.845 1.691 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.551 -6.915 1.367 1.00 0.00 H new ATOM 122 N ARG A 14 6.394 -10.516 5.801 1.00 0.00 N ATOM 123 CA ARG A 14 7.458 -11.208 5.093 1.00 0.00 C ATOM 124 C ARG A 14 7.204 -12.717 5.097 1.00 0.00 C ATOM 125 O ARG A 14 7.631 -13.424 4.186 1.00 0.00 O ATOM 126 CB ARG A 14 8.819 -10.924 5.731 1.00 0.00 C ATOM 127 CG ARG A 14 9.809 -12.052 5.433 1.00 0.00 C ATOM 128 CD ARG A 14 11.249 -11.596 5.677 1.00 0.00 C ATOM 129 NE ARG A 14 11.572 -10.447 4.801 1.00 0.00 N ATOM 130 CZ ARG A 14 12.704 -9.718 4.895 1.00 0.00 C ATOM 131 NH1 ARG A 14 13.632 -10.011 5.830 1.00 0.00 N ATOM 132 NH2 ARG A 14 12.889 -8.713 4.060 1.00 0.00 N ATOM 0 H ARG A 14 6.701 -9.975 6.609 1.00 0.00 H new ATOM 0 HA ARG A 14 7.467 -10.841 4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.212 -9.980 5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.703 -10.812 6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.585 -12.913 6.062 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.697 -12.376 4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.378 -11.314 6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.938 -12.418 5.481 1.00 0.00 H new ATOM 0 HE ARG A 14 10.897 -10.190 4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.481 -10.789 6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 14 14.485 -9.455 5.894 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.182 -8.497 3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.739 -8.152 4.118 1.00 0.00 H new ATOM 146 N LYS A 15 6.511 -13.165 6.133 1.00 0.00 N ATOM 147 CA LYS A 15 6.196 -14.577 6.268 1.00 0.00 C ATOM 148 C LYS A 15 5.488 -15.061 5.001 1.00 0.00 C ATOM 149 O LYS A 15 5.969 -15.967 4.324 1.00 0.00 O ATOM 150 CB LYS A 15 5.401 -14.829 7.551 1.00 0.00 C ATOM 151 CG LYS A 15 4.432 -16.000 7.375 1.00 0.00 C ATOM 152 CD LYS A 15 2.998 -15.502 7.190 1.00 0.00 C ATOM 153 CE LYS A 15 2.160 -16.519 6.414 1.00 0.00 C ATOM 154 NZ LYS A 15 2.111 -17.810 7.137 1.00 0.00 N ATOM 0 H LYS A 15 6.159 -12.575 6.887 1.00 0.00 H new ATOM 0 HA LYS A 15 7.110 -15.163 6.367 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.086 -15.040 8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.846 -13.931 7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.728 -16.595 6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.484 -16.654 8.246 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.544 -15.319 8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.006 -14.550 6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.149 -16.135 6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.585 -16.667 5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.432 -18.444 6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.054 -18.248 7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.812 -17.646 8.120 1.00 0.00 H new ATOM 168 N LYS A 16 4.355 -14.433 4.719 1.00 0.00 N ATOM 169 CA LYS A 16 3.576 -14.788 3.545 1.00 0.00 C ATOM 170 C LYS A 16 4.117 -14.030 2.331 1.00 0.00 C ATOM 171 O LYS A 16 4.055 -14.526 1.207 1.00 0.00 O ATOM 172 CB LYS A 16 2.086 -14.555 3.801 1.00 0.00 C ATOM 173 CG LYS A 16 1.229 -15.458 2.911 1.00 0.00 C ATOM 174 CD LYS A 16 1.261 -16.905 3.405 1.00 0.00 C ATOM 175 CE LYS A 16 0.429 -17.813 2.497 1.00 0.00 C ATOM 176 NZ LYS A 16 0.765 -19.234 2.736 1.00 0.00 N ATOM 0 H LYS A 16 3.959 -13.681 5.283 1.00 0.00 H new ATOM 0 HA LYS A 16 3.677 -15.851 3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.859 -14.750 4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.839 -13.511 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.201 -15.096 2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.592 -15.413 1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.291 -17.260 3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.877 -16.954 4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.632 -17.648 2.682 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.613 -17.560 1.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.191 -19.836 2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.774 -19.390 2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.567 -19.476 3.728 1.00 0.00 H new ATOM 190 N PHE A 17 4.635 -12.840 2.598 1.00 0.00 N ATOM 191 CA PHE A 17 5.186 -12.009 1.542 1.00 0.00 C ATOM 192 C PHE A 17 6.660 -12.339 1.298 1.00 0.00 C ATOM 193 O PHE A 17 7.435 -11.473 0.893 1.00 0.00 O ATOM 194 CB PHE A 17 5.071 -10.557 2.009 1.00 0.00 C ATOM 195 CG PHE A 17 3.643 -10.008 1.989 1.00 0.00 C ATOM 196 CD1 PHE A 17 2.676 -10.603 2.738 1.00 0.00 C ATOM 197 CD2 PHE A 17 3.341 -8.925 1.224 1.00 0.00 C ATOM 198 CE1 PHE A 17 1.350 -10.094 2.719 1.00 0.00 C ATOM 199 CE2 PHE A 17 2.016 -8.416 1.205 1.00 0.00 C ATOM 200 CZ PHE A 17 1.048 -9.011 1.954 1.00 0.00 C ATOM 0 H PHE A 17 4.685 -12.432 3.531 1.00 0.00 H new ATOM 0 HA PHE A 17 4.644 -12.181 0.612 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.465 -10.480 3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.699 -9.931 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.916 -11.462 3.347 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.110 -8.452 0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.582 -10.567 3.312 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.776 -7.557 0.596 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.040 -8.623 1.941 1.00 0.00 H new ATOM 210 N LYS A 18 7.003 -13.593 1.554 1.00 0.00 N ATOM 211 CA LYS A 18 8.371 -14.047 1.367 1.00 0.00 C ATOM 212 C LYS A 18 8.978 -13.339 0.154 1.00 0.00 C ATOM 213 O LYS A 18 10.079 -13.676 -0.279 1.00 0.00 O ATOM 214 CB LYS A 18 8.420 -15.574 1.277 1.00 0.00 C ATOM 215 CG LYS A 18 9.345 -16.157 2.347 1.00 0.00 C ATOM 216 CD LYS A 18 10.795 -15.729 2.111 1.00 0.00 C ATOM 217 CE LYS A 18 11.364 -16.391 0.855 1.00 0.00 C ATOM 218 NZ LYS A 18 12.657 -17.046 1.154 1.00 0.00 N ATOM 0 H LYS A 18 6.358 -14.308 1.889 1.00 0.00 H new ATOM 0 HA LYS A 18 8.982 -13.781 2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.416 -15.981 1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.768 -15.873 0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.020 -15.826 3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.277 -17.245 2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.846 -14.645 2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.403 -15.998 2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.657 -17.127 0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.500 -15.644 0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.029 -17.490 0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.335 -16.336 1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.517 -17.773 1.885 1.00 0.00 H new ATOM 232 N TYR A 19 8.233 -12.372 -0.360 1.00 0.00 N ATOM 233 CA TYR A 19 8.684 -11.613 -1.515 1.00 0.00 C ATOM 234 C TYR A 19 9.946 -10.813 -1.186 1.00 0.00 C ATOM 235 O TYR A 19 9.946 -9.998 -0.265 1.00 0.00 O ATOM 236 CB TYR A 19 7.551 -10.642 -1.850 1.00 0.00 C ATOM 237 CG TYR A 19 8.029 -9.275 -2.345 1.00 0.00 C ATOM 238 CD1 TYR A 19 8.838 -9.189 -3.460 1.00 0.00 C ATOM 239 CD2 TYR A 19 7.651 -8.129 -1.676 1.00 0.00 C ATOM 240 CE1 TYR A 19 9.288 -7.903 -3.925 1.00 0.00 C ATOM 241 CE2 TYR A 19 8.101 -6.842 -2.142 1.00 0.00 C ATOM 242 CZ TYR A 19 8.897 -6.793 -3.243 1.00 0.00 C ATOM 243 OH TYR A 19 9.322 -5.578 -3.683 1.00 0.00 O ATOM 0 H TYR A 19 7.320 -12.096 0.002 1.00 0.00 H new ATOM 0 HA TYR A 19 8.921 -12.280 -2.344 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.915 -11.091 -2.613 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.934 -10.500 -0.963 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.133 -10.086 -3.984 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.018 -8.197 -0.803 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.922 -7.821 -4.796 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.813 -5.937 -1.628 1.00 0.00 H new ATOM 0 HH TYR A 19 8.965 -4.876 -3.100 1.00 0.00 H new ATOM 253 N ASP A 20 10.991 -11.073 -1.958 1.00 0.00 N ATOM 254 CA ASP A 20 12.256 -10.387 -1.761 1.00 0.00 C ATOM 255 C ASP A 20 12.401 -9.281 -2.809 1.00 0.00 C ATOM 256 O ASP A 20 12.795 -9.545 -3.944 1.00 0.00 O ATOM 257 CB ASP A 20 13.435 -11.348 -1.922 1.00 0.00 C ATOM 258 CG ASP A 20 13.800 -12.140 -0.665 1.00 0.00 C ATOM 259 OD1 ASP A 20 14.534 -11.570 0.172 1.00 0.00 O ATOM 260 OD2 ASP A 20 13.338 -13.298 -0.569 1.00 0.00 O ATOM 0 H ASP A 20 10.987 -11.750 -2.721 1.00 0.00 H new ATOM 0 HA ASP A 20 12.262 -9.975 -0.752 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.204 -12.051 -2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.308 -10.778 -2.240 1.00 0.00 H new ATOM 265 N GLY A 21 12.074 -8.067 -2.391 1.00 0.00 N ATOM 266 CA GLY A 21 12.163 -6.921 -3.279 1.00 0.00 C ATOM 267 C GLY A 21 12.507 -5.650 -2.501 1.00 0.00 C ATOM 268 O GLY A 21 12.852 -5.713 -1.322 1.00 0.00 O ATOM 0 H GLY A 21 11.747 -7.852 -1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.923 -7.103 -4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.216 -6.787 -3.801 1.00 0.00 H new ATOM 272 N GLU A 22 12.402 -4.524 -3.192 1.00 0.00 N ATOM 273 CA GLU A 22 12.698 -3.240 -2.581 1.00 0.00 C ATOM 274 C GLU A 22 11.401 -2.512 -2.221 1.00 0.00 C ATOM 275 O GLU A 22 10.846 -1.783 -3.043 1.00 0.00 O ATOM 276 CB GLU A 22 13.571 -2.383 -3.500 1.00 0.00 C ATOM 277 CG GLU A 22 14.476 -1.454 -2.687 1.00 0.00 C ATOM 278 CD GLU A 22 13.877 -0.050 -2.594 1.00 0.00 C ATOM 279 OE1 GLU A 22 13.629 0.535 -3.671 1.00 0.00 O ATOM 280 OE2 GLU A 22 13.681 0.408 -1.447 1.00 0.00 O ATOM 0 H GLU A 22 12.116 -4.475 -4.170 1.00 0.00 H new ATOM 0 HA GLU A 22 13.259 -3.417 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.180 -3.027 -4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.938 -1.792 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.615 -1.861 -1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.461 -1.403 -3.150 1.00 0.00 H new ATOM 287 N ILE A 23 10.956 -2.733 -0.993 1.00 0.00 N ATOM 288 CA ILE A 23 9.735 -2.108 -0.515 1.00 0.00 C ATOM 289 C ILE A 23 9.962 -0.601 -0.371 1.00 0.00 C ATOM 290 O ILE A 23 10.677 -0.161 0.528 1.00 0.00 O ATOM 291 CB ILE A 23 9.255 -2.783 0.771 1.00 0.00 C ATOM 292 CG1 ILE A 23 8.044 -3.678 0.500 1.00 0.00 C ATOM 293 CG2 ILE A 23 8.970 -1.748 1.861 1.00 0.00 C ATOM 294 CD1 ILE A 23 7.788 -4.625 1.675 1.00 0.00 C ATOM 0 H ILE A 23 11.420 -3.337 -0.314 1.00 0.00 H new ATOM 0 HA ILE A 23 8.930 -2.243 -1.237 1.00 0.00 H new ATOM 0 HB ILE A 23 10.055 -3.425 1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.162 -3.061 0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.211 -4.257 -0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.630 -2.255 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.880 -1.189 2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.196 -1.061 1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.922 -5.250 1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.662 -5.257 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.597 -4.043 2.577 1.00 0.00 H new ATOM 306 N ARG A 24 9.340 0.147 -1.270 1.00 0.00 N ATOM 307 CA ARG A 24 9.465 1.595 -1.254 1.00 0.00 C ATOM 308 C ARG A 24 8.239 2.241 -1.903 1.00 0.00 C ATOM 309 O ARG A 24 7.993 2.055 -3.094 1.00 0.00 O ATOM 310 CB ARG A 24 10.725 2.047 -1.996 1.00 0.00 C ATOM 311 CG ARG A 24 11.012 3.527 -1.737 1.00 0.00 C ATOM 312 CD ARG A 24 11.208 4.286 -3.051 1.00 0.00 C ATOM 313 NE ARG A 24 10.740 5.682 -2.903 1.00 0.00 N ATOM 314 CZ ARG A 24 11.412 6.639 -2.228 1.00 0.00 C ATOM 315 NH1 ARG A 24 12.590 6.357 -1.631 1.00 0.00 N ATOM 316 NH2 ARG A 24 10.901 7.854 -2.160 1.00 0.00 N ATOM 0 H ARG A 24 8.748 -0.222 -2.014 1.00 0.00 H new ATOM 0 HA ARG A 24 9.537 1.910 -0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.576 1.446 -1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.602 1.879 -3.066 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.187 3.968 -1.177 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.905 3.625 -1.120 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.261 4.275 -3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.658 3.792 -3.852 1.00 0.00 H new ATOM 0 HE ARG A 24 9.854 5.937 -3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.978 5.415 -1.688 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.092 7.086 -1.123 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.011 8.059 -2.614 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.396 8.588 -1.654 1.00 0.00 H new ATOM 330 N VAL A 25 7.504 2.986 -1.092 1.00 0.00 N ATOM 331 CA VAL A 25 6.310 3.661 -1.572 1.00 0.00 C ATOM 332 C VAL A 25 6.709 4.736 -2.584 1.00 0.00 C ATOM 333 O VAL A 25 7.124 5.830 -2.203 1.00 0.00 O ATOM 334 CB VAL A 25 5.513 4.218 -0.391 1.00 0.00 C ATOM 335 CG1 VAL A 25 6.400 5.076 0.513 1.00 0.00 C ATOM 336 CG2 VAL A 25 4.296 5.009 -0.875 1.00 0.00 C ATOM 0 H VAL A 25 7.712 3.138 -0.105 1.00 0.00 H new ATOM 0 HA VAL A 25 5.655 2.958 -2.086 1.00 0.00 H new ATOM 0 HB VAL A 25 5.152 3.374 0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.809 5.460 1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.220 4.470 0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.804 5.910 -0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.747 5.394 -0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.627 5.841 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.646 4.356 -1.458 1.00 0.00 H new ATOM 346 N LEU A 26 6.571 4.388 -3.855 1.00 0.00 N ATOM 347 CA LEU A 26 6.912 5.310 -4.925 1.00 0.00 C ATOM 348 C LEU A 26 5.670 6.115 -5.314 1.00 0.00 C ATOM 349 O LEU A 26 5.732 7.337 -5.440 1.00 0.00 O ATOM 350 CB LEU A 26 7.550 4.560 -6.096 1.00 0.00 C ATOM 351 CG LEU A 26 8.515 5.369 -6.965 1.00 0.00 C ATOM 352 CD1 LEU A 26 8.519 4.854 -8.405 1.00 0.00 C ATOM 353 CD2 LEU A 26 8.197 6.864 -6.892 1.00 0.00 C ATOM 0 H LEU A 26 6.228 3.480 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 26 7.663 6.024 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.085 3.697 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.753 4.176 -6.733 1.00 0.00 H new ATOM 0 HG LEU A 26 9.523 5.235 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.213 5.446 -9.001 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.830 3.809 -8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.517 4.939 -8.825 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.898 7.416 -7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.180 7.037 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.286 7.205 -5.861 1.00 0.00 H new ATOM 365 N TYR A 27 4.571 5.397 -5.495 1.00 0.00 N ATOM 366 CA TYR A 27 3.317 6.029 -5.867 1.00 0.00 C ATOM 367 C TYR A 27 2.201 5.648 -4.892 1.00 0.00 C ATOM 368 O TYR A 27 1.486 4.672 -5.112 1.00 0.00 O ATOM 369 CB TYR A 27 2.970 5.490 -7.256 1.00 0.00 C ATOM 370 CG TYR A 27 2.657 3.993 -7.283 1.00 0.00 C ATOM 371 CD1 TYR A 27 3.684 3.073 -7.250 1.00 0.00 C ATOM 372 CD2 TYR A 27 1.346 3.563 -7.340 1.00 0.00 C ATOM 373 CE1 TYR A 27 3.390 1.663 -7.275 1.00 0.00 C ATOM 374 CE2 TYR A 27 1.052 2.154 -7.366 1.00 0.00 C ATOM 375 CZ TYR A 27 2.088 1.273 -7.332 1.00 0.00 C ATOM 376 OH TYR A 27 1.809 -0.058 -7.356 1.00 0.00 O ATOM 0 H TYR A 27 4.523 4.383 -5.391 1.00 0.00 H new ATOM 0 HA TYR A 27 3.414 7.115 -5.852 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.110 6.037 -7.642 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.803 5.689 -7.930 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.709 3.410 -7.205 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.542 4.283 -7.365 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.185 0.932 -7.249 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.031 1.804 -7.412 1.00 0.00 H new ATOM 0 HH TYR A 27 2.361 -0.520 -6.691 1.00 0.00 H new ATOM 386 N SER A 28 2.087 6.440 -3.836 1.00 0.00 N ATOM 387 CA SER A 28 1.070 6.198 -2.826 1.00 0.00 C ATOM 388 C SER A 28 -0.313 6.547 -3.382 1.00 0.00 C ATOM 389 O SER A 28 -0.614 7.716 -3.618 1.00 0.00 O ATOM 390 CB SER A 28 1.350 7.006 -1.557 1.00 0.00 C ATOM 391 OG SER A 28 1.283 8.409 -1.792 1.00 0.00 O ATOM 0 H SER A 28 2.682 7.249 -3.658 1.00 0.00 H new ATOM 0 HA SER A 28 1.094 5.140 -2.564 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.629 6.733 -0.787 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.338 6.749 -1.174 1.00 0.00 H new ATOM 0 HG SER A 28 0.640 8.590 -2.509 1.00 0.00 H new ATOM 397 N THR A 29 -1.116 5.511 -3.576 1.00 0.00 N ATOM 398 CA THR A 29 -2.459 5.693 -4.100 1.00 0.00 C ATOM 399 C THR A 29 -3.455 5.890 -2.956 1.00 0.00 C ATOM 400 O THR A 29 -3.167 5.546 -1.811 1.00 0.00 O ATOM 401 CB THR A 29 -2.786 4.492 -4.990 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.787 4.981 -5.879 1.00 0.00 O ATOM 403 CG2 THR A 29 -3.485 3.368 -4.224 1.00 0.00 C ATOM 0 H THR A 29 -0.862 4.543 -3.380 1.00 0.00 H new ATOM 0 HA THR A 29 -2.528 6.595 -4.708 1.00 0.00 H new ATOM 0 HB THR A 29 -1.867 4.110 -5.436 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.790 4.441 -6.697 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.694 2.541 -4.902 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.839 3.021 -3.417 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.420 3.740 -3.806 1.00 0.00 H new ATOM 411 N LYS A 30 -4.607 6.443 -3.306 1.00 0.00 N ATOM 412 CA LYS A 30 -5.648 6.690 -2.323 1.00 0.00 C ATOM 413 C LYS A 30 -6.704 5.586 -2.415 1.00 0.00 C ATOM 414 O LYS A 30 -7.084 5.176 -3.511 1.00 0.00 O ATOM 415 CB LYS A 30 -6.217 8.100 -2.488 1.00 0.00 C ATOM 416 CG LYS A 30 -5.424 9.112 -1.659 1.00 0.00 C ATOM 417 CD LYS A 30 -6.085 10.492 -1.698 1.00 0.00 C ATOM 418 CE LYS A 30 -7.241 10.573 -0.699 1.00 0.00 C ATOM 419 NZ LYS A 30 -8.341 11.399 -1.245 1.00 0.00 N ATOM 0 H LYS A 30 -4.842 6.727 -4.257 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.236 6.653 -1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.191 8.386 -3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.263 8.112 -2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.354 8.767 -0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.406 9.182 -2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.346 11.260 -1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.453 10.695 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.607 9.571 -0.476 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.889 11.000 0.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.117 11.444 -0.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.992 12.360 -1.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.688 10.975 -2.129 1.00 0.00 H new ATOM 433 N VAL A 31 -7.147 5.136 -1.251 1.00 0.00 N ATOM 434 CA VAL A 31 -8.151 4.088 -1.186 1.00 0.00 C ATOM 435 C VAL A 31 -9.500 4.651 -1.637 1.00 0.00 C ATOM 436 O VAL A 31 -10.034 5.567 -1.013 1.00 0.00 O ATOM 437 CB VAL A 31 -8.193 3.489 0.221 1.00 0.00 C ATOM 438 CG1 VAL A 31 -8.776 2.074 0.198 1.00 0.00 C ATOM 439 CG2 VAL A 31 -6.804 3.499 0.863 1.00 0.00 C ATOM 0 H VAL A 31 -6.829 5.478 -0.344 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.896 3.273 -1.864 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.848 4.111 0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.794 1.672 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.791 2.105 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.159 1.436 -0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.862 3.068 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.117 2.911 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.442 4.525 0.931 1.00 0.00 H new ATOM 449 N THR A 32 -10.013 4.081 -2.717 1.00 0.00 N ATOM 450 CA THR A 32 -11.289 4.515 -3.259 1.00 0.00 C ATOM 451 C THR A 32 -12.439 4.009 -2.384 1.00 0.00 C ATOM 452 O THR A 32 -12.459 2.844 -1.991 1.00 0.00 O ATOM 453 CB THR A 32 -11.374 4.037 -4.710 1.00 0.00 C ATOM 454 OG1 THR A 32 -10.707 5.056 -5.450 1.00 0.00 O ATOM 455 CG2 THR A 32 -12.805 4.060 -5.251 1.00 0.00 C ATOM 0 H THR A 32 -9.568 3.321 -3.232 1.00 0.00 H new ATOM 0 HA THR A 32 -11.372 5.602 -3.255 1.00 0.00 H new ATOM 0 HB THR A 32 -10.975 3.025 -4.783 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.714 4.826 -6.403 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.809 3.712 -6.284 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.433 3.407 -4.645 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.193 5.078 -5.210 1.00 0.00 H new ATOM 463 N THR A 33 -13.368 4.911 -2.105 1.00 0.00 N ATOM 464 CA THR A 33 -14.518 4.572 -1.285 1.00 0.00 C ATOM 465 C THR A 33 -15.084 3.211 -1.696 1.00 0.00 C ATOM 466 O THR A 33 -15.801 2.575 -0.926 1.00 0.00 O ATOM 467 CB THR A 33 -15.533 5.711 -1.399 1.00 0.00 C ATOM 468 OG1 THR A 33 -16.590 5.323 -0.525 1.00 0.00 O ATOM 469 CG2 THR A 33 -16.193 5.772 -2.778 1.00 0.00 C ATOM 0 H THR A 33 -13.348 5.877 -2.432 1.00 0.00 H new ATOM 0 HA THR A 33 -14.239 4.470 -0.236 1.00 0.00 H new ATOM 0 HB THR A 33 -15.038 6.660 -1.192 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.292 6.007 -0.537 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.904 6.598 -2.805 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.429 5.926 -3.540 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.716 4.836 -2.973 1.00 0.00 H new ATOM 477 N SER A 34 -14.739 2.805 -2.909 1.00 0.00 N ATOM 478 CA SER A 34 -15.203 1.531 -3.432 1.00 0.00 C ATOM 479 C SER A 34 -14.210 0.424 -3.072 1.00 0.00 C ATOM 480 O SER A 34 -14.269 -0.672 -3.626 1.00 0.00 O ATOM 481 CB SER A 34 -15.398 1.597 -4.948 1.00 0.00 C ATOM 482 OG SER A 34 -14.239 1.163 -5.655 1.00 0.00 O ATOM 0 H SER A 34 -14.144 3.336 -3.545 1.00 0.00 H new ATOM 0 HA SER A 34 -16.168 1.306 -2.978 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.249 0.977 -5.231 1.00 0.00 H new ATOM 0 HB3 SER A 34 -15.638 2.620 -5.238 1.00 0.00 H new ATOM 0 HG SER A 34 -14.404 1.218 -6.619 1.00 0.00 H new ATOM 488 N ILE A 35 -13.320 0.750 -2.147 1.00 0.00 N ATOM 489 CA ILE A 35 -12.315 -0.203 -1.706 1.00 0.00 C ATOM 490 C ILE A 35 -12.986 -1.296 -0.872 1.00 0.00 C ATOM 491 O ILE A 35 -14.174 -1.207 -0.567 1.00 0.00 O ATOM 492 CB ILE A 35 -11.178 0.516 -0.978 1.00 0.00 C ATOM 493 CG1 ILE A 35 -9.816 0.085 -1.527 1.00 0.00 C ATOM 494 CG2 ILE A 35 -11.278 0.308 0.535 1.00 0.00 C ATOM 495 CD1 ILE A 35 -9.054 -0.759 -0.503 1.00 0.00 C ATOM 0 H ILE A 35 -13.273 1.661 -1.690 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.853 -0.694 -2.563 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.276 1.586 -1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.954 -0.487 -2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.229 0.966 -1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.458 0.829 1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.228 0.703 0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.219 -0.757 0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.090 -1.052 -0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.896 -0.176 0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.633 -1.651 -0.264 1.00 0.00 H new ATOM 507 N THR A 36 -12.195 -2.301 -0.526 1.00 0.00 N ATOM 508 CA THR A 36 -12.698 -3.410 0.267 1.00 0.00 C ATOM 509 C THR A 36 -12.971 -2.958 1.702 1.00 0.00 C ATOM 510 O THR A 36 -12.062 -2.510 2.400 1.00 0.00 O ATOM 511 CB THR A 36 -11.688 -4.555 0.172 1.00 0.00 C ATOM 512 OG1 THR A 36 -12.127 -5.488 1.155 1.00 0.00 O ATOM 513 CG2 THR A 36 -10.292 -4.145 0.645 1.00 0.00 C ATOM 0 H THR A 36 -11.210 -2.371 -0.780 1.00 0.00 H new ATOM 0 HA THR A 36 -13.654 -3.768 -0.115 1.00 0.00 H new ATOM 0 HB THR A 36 -11.634 -4.906 -0.858 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.359 -5.796 1.680 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.614 -4.994 0.557 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.926 -3.323 0.030 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.340 -3.825 1.686 1.00 0.00 H new ATOM 521 N SER A 37 -14.228 -3.091 2.102 1.00 0.00 N ATOM 522 CA SER A 37 -14.632 -2.702 3.442 1.00 0.00 C ATOM 523 C SER A 37 -15.172 -3.917 4.199 1.00 0.00 C ATOM 524 O SER A 37 -15.100 -3.970 5.426 1.00 0.00 O ATOM 525 CB SER A 37 -15.685 -1.592 3.399 1.00 0.00 C ATOM 526 OG SER A 37 -16.880 -1.963 4.082 1.00 0.00 O ATOM 0 H SER A 37 -14.979 -3.463 1.521 1.00 0.00 H new ATOM 0 HA SER A 37 -13.757 -2.316 3.965 1.00 0.00 H new ATOM 0 HB2 SER A 37 -15.276 -0.687 3.849 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.919 -1.354 2.361 1.00 0.00 H new ATOM 0 HG SER A 37 -17.526 -1.228 4.033 1.00 0.00 H new ATOM 532 N LYS A 38 -15.701 -4.862 3.436 1.00 0.00 N ATOM 533 CA LYS A 38 -16.253 -6.073 4.020 1.00 0.00 C ATOM 534 C LYS A 38 -15.279 -7.232 3.795 1.00 0.00 C ATOM 535 O LYS A 38 -14.974 -7.980 4.723 1.00 0.00 O ATOM 536 CB LYS A 38 -17.659 -6.337 3.477 1.00 0.00 C ATOM 537 CG LYS A 38 -17.610 -7.242 2.245 1.00 0.00 C ATOM 538 CD LYS A 38 -19.019 -7.557 1.739 1.00 0.00 C ATOM 539 CE LYS A 38 -19.551 -6.425 0.858 1.00 0.00 C ATOM 540 NZ LYS A 38 -19.114 -6.611 -0.544 1.00 0.00 N ATOM 0 H LYS A 38 -15.759 -4.814 2.419 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.369 -5.958 5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.270 -6.802 4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.137 -5.392 3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.036 -6.757 1.455 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.092 -8.169 2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.006 -8.488 1.172 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.688 -7.709 2.586 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.640 -6.400 0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.193 -5.466 1.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.483 -5.834 -1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.075 -6.612 -0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.476 -7.517 -0.903 1.00 0.00 H new ATOM 554 N LYS A 39 -14.819 -7.344 2.558 1.00 0.00 N ATOM 555 CA LYS A 39 -13.886 -8.399 2.199 1.00 0.00 C ATOM 556 C LYS A 39 -12.550 -8.154 2.904 1.00 0.00 C ATOM 557 O LYS A 39 -11.958 -7.085 2.764 1.00 0.00 O ATOM 558 CB LYS A 39 -13.767 -8.516 0.678 1.00 0.00 C ATOM 559 CG LYS A 39 -13.913 -9.970 0.227 1.00 0.00 C ATOM 560 CD LYS A 39 -15.355 -10.454 0.394 1.00 0.00 C ATOM 561 CE LYS A 39 -16.204 -10.077 -0.822 1.00 0.00 C ATOM 562 NZ LYS A 39 -16.994 -11.241 -1.283 1.00 0.00 N ATOM 0 H LYS A 39 -15.075 -6.722 1.791 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.255 -9.366 2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.534 -7.905 0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.802 -8.126 0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.613 -10.062 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.243 -10.604 0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.366 -11.536 0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.787 -10.016 1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.872 -9.255 -0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.560 -9.725 -1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.565 -10.968 -2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.351 -12.015 -1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.622 -11.559 -0.518 1.00 0.00 H new ATOM 576 N TRP A 40 -12.115 -9.162 3.646 1.00 0.00 N ATOM 577 CA TRP A 40 -10.860 -9.069 4.372 1.00 0.00 C ATOM 578 C TRP A 40 -10.201 -10.450 4.356 1.00 0.00 C ATOM 579 O TRP A 40 -10.831 -11.446 4.710 1.00 0.00 O ATOM 580 CB TRP A 40 -11.083 -8.529 5.786 1.00 0.00 C ATOM 581 CG TRP A 40 -11.556 -7.075 5.830 1.00 0.00 C ATOM 582 CD1 TRP A 40 -12.507 -6.539 6.608 1.00 0.00 C ATOM 583 CD2 TRP A 40 -11.059 -5.985 5.025 1.00 0.00 C ATOM 584 NE1 TRP A 40 -12.658 -5.189 6.365 1.00 0.00 N ATOM 585 CE2 TRP A 40 -11.749 -4.841 5.372 1.00 0.00 C ATOM 586 CE3 TRP A 40 -10.059 -5.965 4.037 1.00 0.00 C ATOM 587 CZ2 TRP A 40 -11.514 -3.595 4.781 1.00 0.00 C ATOM 588 CZ3 TRP A 40 -9.836 -4.712 3.455 1.00 0.00 C ATOM 589 CH2 TRP A 40 -10.523 -3.551 3.793 1.00 0.00 C ATOM 0 H TRP A 40 -12.609 -10.047 3.760 1.00 0.00 H new ATOM 0 HA TRP A 40 -10.188 -8.357 3.892 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -11.819 -9.155 6.291 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -10.153 -8.615 6.347 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.083 -7.094 7.334 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -13.315 -4.562 6.829 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -9.506 -6.847 3.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -12.067 -2.714 5.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -9.077 -4.642 2.690 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.293 -2.620 3.296 1.00 0.00 H new ATOM 600 N GLY A 41 -8.943 -10.465 3.943 1.00 0.00 N ATOM 601 CA GLY A 41 -8.192 -11.708 3.876 1.00 0.00 C ATOM 602 C GLY A 41 -6.980 -11.666 4.809 1.00 0.00 C ATOM 603 O GLY A 41 -6.529 -10.591 5.199 1.00 0.00 O ATOM 0 H GLY A 41 -8.424 -9.637 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.838 -12.543 4.150 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.862 -11.883 2.852 1.00 0.00 H new ATOM 607 N THR A 42 -6.487 -12.851 5.139 1.00 0.00 N ATOM 608 CA THR A 42 -5.336 -12.964 6.018 1.00 0.00 C ATOM 609 C THR A 42 -4.150 -12.184 5.447 1.00 0.00 C ATOM 610 O THR A 42 -3.374 -11.591 6.195 1.00 0.00 O ATOM 611 CB THR A 42 -5.042 -14.451 6.225 1.00 0.00 C ATOM 612 OG1 THR A 42 -3.826 -14.465 6.968 1.00 0.00 O ATOM 613 CG2 THR A 42 -4.689 -15.165 4.919 1.00 0.00 C ATOM 0 H THR A 42 -6.864 -13.741 4.813 1.00 0.00 H new ATOM 0 HA THR A 42 -5.538 -12.520 6.993 1.00 0.00 H new ATOM 0 HB THR A 42 -5.908 -14.932 6.679 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.563 -15.392 7.148 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.489 -16.217 5.122 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.523 -15.082 4.222 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.803 -14.706 4.481 1.00 0.00 H new ATOM 621 N ARG A 43 -4.046 -12.210 4.126 1.00 0.00 N ATOM 622 CA ARG A 43 -2.968 -11.513 3.446 1.00 0.00 C ATOM 623 C ARG A 43 -3.444 -10.141 2.964 1.00 0.00 C ATOM 624 O ARG A 43 -2.723 -9.446 2.249 1.00 0.00 O ATOM 625 CB ARG A 43 -2.460 -12.319 2.249 1.00 0.00 C ATOM 626 CG ARG A 43 -1.120 -12.986 2.565 1.00 0.00 C ATOM 627 CD ARG A 43 -0.437 -13.478 1.288 1.00 0.00 C ATOM 628 NE ARG A 43 -1.049 -14.751 0.844 1.00 0.00 N ATOM 629 CZ ARG A 43 -2.110 -14.832 0.014 1.00 0.00 C ATOM 630 NH1 ARG A 43 -2.687 -13.712 -0.472 1.00 0.00 N ATOM 631 NH2 ARG A 43 -2.574 -16.022 -0.317 1.00 0.00 N ATOM 0 H ARG A 43 -4.691 -12.703 3.509 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.152 -11.389 4.158 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.194 -13.079 1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.349 -11.663 1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.470 -12.278 3.080 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.278 -13.825 3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.530 -12.727 0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.629 -13.621 1.468 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.643 -15.622 1.187 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.321 -12.796 -0.212 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.489 -13.782 -1.099 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.131 -16.863 0.053 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.375 -16.101 -0.943 1.00 0.00 H new ATOM 645 N ASP A 44 -4.654 -9.793 3.374 1.00 0.00 N ATOM 646 CA ASP A 44 -5.235 -8.516 2.992 1.00 0.00 C ATOM 647 C ASP A 44 -5.167 -7.555 4.181 1.00 0.00 C ATOM 648 O ASP A 44 -4.973 -7.981 5.318 1.00 0.00 O ATOM 649 CB ASP A 44 -6.704 -8.676 2.596 1.00 0.00 C ATOM 650 CG ASP A 44 -7.075 -8.080 1.237 1.00 0.00 C ATOM 651 OD1 ASP A 44 -6.307 -8.324 0.281 1.00 0.00 O ATOM 652 OD2 ASP A 44 -8.119 -7.395 1.183 1.00 0.00 O ATOM 0 H ASP A 44 -5.249 -10.372 3.967 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.673 -8.130 2.142 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.949 -9.738 2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.324 -8.210 3.362 1.00 0.00 H new ATOM 657 N LEU A 45 -5.332 -6.276 3.876 1.00 0.00 N ATOM 658 CA LEU A 45 -5.292 -5.251 4.905 1.00 0.00 C ATOM 659 C LEU A 45 -6.721 -4.898 5.323 1.00 0.00 C ATOM 660 O LEU A 45 -7.646 -4.984 4.517 1.00 0.00 O ATOM 661 CB LEU A 45 -4.475 -4.047 4.431 1.00 0.00 C ATOM 662 CG LEU A 45 -3.703 -3.292 5.515 1.00 0.00 C ATOM 663 CD1 LEU A 45 -2.608 -4.171 6.122 1.00 0.00 C ATOM 664 CD2 LEU A 45 -3.145 -1.974 4.973 1.00 0.00 C ATOM 0 H LEU A 45 -5.494 -5.926 2.931 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.782 -5.623 5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.765 -4.389 3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.149 -3.347 3.938 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.397 -3.043 6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.075 -3.610 6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.059 -5.058 6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.909 -4.473 5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.601 -1.457 5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.470 -2.179 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.966 -1.346 4.627 1.00 0.00 H new ATOM 676 N GLN A 46 -6.856 -4.507 6.582 1.00 0.00 N ATOM 677 CA GLN A 46 -8.157 -4.141 7.116 1.00 0.00 C ATOM 678 C GLN A 46 -8.433 -2.657 6.869 1.00 0.00 C ATOM 679 O GLN A 46 -9.117 -2.009 7.660 1.00 0.00 O ATOM 680 CB GLN A 46 -8.252 -4.476 8.606 1.00 0.00 C ATOM 681 CG GLN A 46 -9.540 -3.916 9.213 1.00 0.00 C ATOM 682 CD GLN A 46 -10.051 -4.816 10.340 1.00 0.00 C ATOM 683 OE1 GLN A 46 -9.980 -4.486 11.512 1.00 0.00 O ATOM 684 NE2 GLN A 46 -10.568 -5.967 9.920 1.00 0.00 N ATOM 0 H GLN A 46 -6.086 -4.436 7.247 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.918 -4.724 6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.222 -5.557 8.742 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.390 -4.065 9.131 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.359 -2.913 9.598 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.303 -3.828 8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.596 -6.180 8.923 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.937 -6.637 10.595 1.00 0.00 H new ATOM 693 N VAL A 47 -7.887 -2.161 5.768 1.00 0.00 N ATOM 694 CA VAL A 47 -8.066 -0.765 5.407 1.00 0.00 C ATOM 695 C VAL A 47 -9.546 -0.504 5.116 1.00 0.00 C ATOM 696 O VAL A 47 -10.307 -1.437 4.863 1.00 0.00 O ATOM 697 CB VAL A 47 -7.154 -0.407 4.232 1.00 0.00 C ATOM 698 CG1 VAL A 47 -5.697 -0.754 4.544 1.00 0.00 C ATOM 699 CG2 VAL A 47 -7.618 -1.096 2.947 1.00 0.00 C ATOM 0 H VAL A 47 -7.320 -2.701 5.114 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.777 -0.117 6.234 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.217 0.670 4.076 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.070 -0.490 3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.370 -0.197 5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.611 -1.823 4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.952 -0.824 2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.599 -2.177 3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.633 -0.778 2.710 1.00 0.00 H new ATOM 709 N LYS A 48 -9.909 0.770 5.161 1.00 0.00 N ATOM 710 CA LYS A 48 -11.283 1.165 4.906 1.00 0.00 C ATOM 711 C LYS A 48 -11.347 1.956 3.597 1.00 0.00 C ATOM 712 O LYS A 48 -10.351 2.538 3.171 1.00 0.00 O ATOM 713 CB LYS A 48 -11.856 1.918 6.108 1.00 0.00 C ATOM 714 CG LYS A 48 -11.076 3.208 6.370 1.00 0.00 C ATOM 715 CD LYS A 48 -10.388 3.165 7.736 1.00 0.00 C ATOM 716 CE LYS A 48 -9.307 2.083 7.771 1.00 0.00 C ATOM 717 NZ LYS A 48 -8.767 1.934 9.141 1.00 0.00 N ATOM 0 H LYS A 48 -9.275 1.541 5.370 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.915 0.286 4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.905 2.153 5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.820 1.281 6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.331 3.352 5.588 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.753 4.062 6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.943 4.136 7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.127 2.971 8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.723 1.134 7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.502 2.342 7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.035 1.196 9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.352 2.836 9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.535 1.665 9.789 1.00 0.00 H new ATOM 731 N PRO A 49 -12.559 1.952 2.982 1.00 0.00 N ATOM 732 CA PRO A 49 -12.766 2.662 1.731 1.00 0.00 C ATOM 733 C PRO A 49 -12.852 4.171 1.965 1.00 0.00 C ATOM 734 O PRO A 49 -13.597 4.628 2.831 1.00 0.00 O ATOM 735 CB PRO A 49 -14.045 2.077 1.153 1.00 0.00 C ATOM 736 CG PRO A 49 -14.754 1.398 2.313 1.00 0.00 C ATOM 737 CD PRO A 49 -13.761 1.274 3.458 1.00 0.00 C ATOM 0 HA PRO A 49 -11.937 2.537 1.035 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.669 2.857 0.717 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.824 1.364 0.359 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.623 1.979 2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.118 0.415 2.015 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.144 1.739 4.366 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.559 0.230 3.695 1.00 0.00 H new ATOM 745 N GLY A 50 -12.079 4.905 1.177 1.00 0.00 N ATOM 746 CA GLY A 50 -12.058 6.353 1.288 1.00 0.00 C ATOM 747 C GLY A 50 -10.848 6.824 2.097 1.00 0.00 C ATOM 748 O GLY A 50 -10.759 7.995 2.463 1.00 0.00 O ATOM 0 H GLY A 50 -11.463 4.523 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.030 6.797 0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.975 6.698 1.765 1.00 0.00 H new ATOM 752 N GLU A 51 -9.946 5.888 2.352 1.00 0.00 N ATOM 753 CA GLU A 51 -8.745 6.192 3.111 1.00 0.00 C ATOM 754 C GLU A 51 -7.543 6.322 2.173 1.00 0.00 C ATOM 755 O GLU A 51 -7.645 6.026 0.983 1.00 0.00 O ATOM 756 CB GLU A 51 -8.491 5.131 4.184 1.00 0.00 C ATOM 757 CG GLU A 51 -8.836 5.666 5.575 1.00 0.00 C ATOM 758 CD GLU A 51 -7.815 5.193 6.613 1.00 0.00 C ATOM 759 OE1 GLU A 51 -7.264 4.090 6.405 1.00 0.00 O ATOM 760 OE2 GLU A 51 -7.610 5.944 7.590 1.00 0.00 O ATOM 0 H GLU A 51 -10.023 4.918 2.046 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.891 7.146 3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.089 4.244 3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.445 4.824 4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.860 6.756 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.833 5.330 5.861 1.00 0.00 H new ATOM 767 N SER A 52 -6.433 6.765 2.744 1.00 0.00 N ATOM 768 CA SER A 52 -5.213 6.938 1.974 1.00 0.00 C ATOM 769 C SER A 52 -4.059 6.191 2.647 1.00 0.00 C ATOM 770 O SER A 52 -3.831 6.344 3.846 1.00 0.00 O ATOM 771 CB SER A 52 -4.866 8.420 1.817 1.00 0.00 C ATOM 772 OG SER A 52 -3.745 8.618 0.959 1.00 0.00 O ATOM 0 H SER A 52 -6.353 7.009 3.731 1.00 0.00 H new ATOM 0 HA SER A 52 -5.375 6.523 0.979 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.728 8.954 1.416 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.653 8.848 2.796 1.00 0.00 H new ATOM 0 HG SER A 52 -3.556 9.577 0.883 1.00 0.00 H new ATOM 778 N LEU A 53 -3.362 5.399 1.845 1.00 0.00 N ATOM 779 CA LEU A 53 -2.238 4.627 2.348 1.00 0.00 C ATOM 780 C LEU A 53 -1.113 4.639 1.311 1.00 0.00 C ATOM 781 O LEU A 53 -1.332 5.001 0.156 1.00 0.00 O ATOM 782 CB LEU A 53 -2.689 3.222 2.750 1.00 0.00 C ATOM 783 CG LEU A 53 -1.641 2.355 3.450 1.00 0.00 C ATOM 784 CD1 LEU A 53 -1.109 3.047 4.707 1.00 0.00 C ATOM 785 CD2 LEU A 53 -2.195 0.962 3.754 1.00 0.00 C ATOM 0 H LEU A 53 -3.554 5.275 0.851 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.841 5.080 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.553 3.314 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.024 2.699 1.854 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.798 2.224 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.366 2.410 5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.650 3.997 4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.932 3.228 5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.429 0.367 4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.065 1.051 4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.486 0.475 2.823 1.00 0.00 H new ATOM 797 N GLU A 54 0.067 4.239 1.761 1.00 0.00 N ATOM 798 CA GLU A 54 1.227 4.198 0.887 1.00 0.00 C ATOM 799 C GLU A 54 1.173 2.960 -0.010 1.00 0.00 C ATOM 800 O GLU A 54 0.902 1.858 0.463 1.00 0.00 O ATOM 801 CB GLU A 54 2.525 4.233 1.696 1.00 0.00 C ATOM 802 CG GLU A 54 3.182 5.613 1.620 1.00 0.00 C ATOM 803 CD GLU A 54 2.921 6.415 2.897 1.00 0.00 C ATOM 804 OE1 GLU A 54 3.184 5.854 3.983 1.00 0.00 O ATOM 805 OE2 GLU A 54 2.465 7.570 2.758 1.00 0.00 O ATOM 0 H GLU A 54 0.245 3.940 2.720 1.00 0.00 H new ATOM 0 HA GLU A 54 1.210 5.084 0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.316 3.983 2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.214 3.477 1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.256 5.501 1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.795 6.157 0.759 1.00 0.00 H new ATOM 812 N VAL A 55 1.435 3.184 -1.290 1.00 0.00 N ATOM 813 CA VAL A 55 1.419 2.100 -2.257 1.00 0.00 C ATOM 814 C VAL A 55 2.857 1.693 -2.584 1.00 0.00 C ATOM 815 O VAL A 55 3.683 2.539 -2.925 1.00 0.00 O ATOM 816 CB VAL A 55 0.619 2.514 -3.494 1.00 0.00 C ATOM 817 CG1 VAL A 55 1.163 1.834 -4.752 1.00 0.00 C ATOM 818 CG2 VAL A 55 -0.870 2.215 -3.310 1.00 0.00 C ATOM 0 H VAL A 55 1.659 4.100 -1.679 1.00 0.00 H new ATOM 0 HA VAL A 55 0.920 1.225 -1.841 1.00 0.00 H new ATOM 0 HB VAL A 55 0.731 3.591 -3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.577 2.145 -5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.205 2.119 -4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.096 0.752 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.415 2.519 -4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.009 1.146 -3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.248 2.766 -2.449 1.00 0.00 H new ATOM 828 N ILE A 56 3.113 0.398 -2.468 1.00 0.00 N ATOM 829 CA ILE A 56 4.437 -0.131 -2.747 1.00 0.00 C ATOM 830 C ILE A 56 4.516 -0.546 -4.218 1.00 0.00 C ATOM 831 O ILE A 56 4.025 0.164 -5.094 1.00 0.00 O ATOM 832 CB ILE A 56 4.780 -1.258 -1.771 1.00 0.00 C ATOM 833 CG1 ILE A 56 4.462 -0.852 -0.331 1.00 0.00 C ATOM 834 CG2 ILE A 56 6.236 -1.699 -1.933 1.00 0.00 C ATOM 835 CD1 ILE A 56 5.178 -1.764 0.667 1.00 0.00 C ATOM 0 H ILE A 56 2.426 -0.300 -2.185 1.00 0.00 H new ATOM 0 HA ILE A 56 5.195 0.637 -2.591 1.00 0.00 H new ATOM 0 HB ILE A 56 4.154 -2.118 -2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.764 0.182 -0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.386 -0.900 -0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.454 -2.501 -1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.397 -2.057 -2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.896 -0.854 -1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.935 -1.453 1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.855 -2.794 0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.255 -1.695 0.515 1.00 0.00 H new ATOM 847 N GLN A 57 5.138 -1.694 -4.443 1.00 0.00 N ATOM 848 CA GLN A 57 5.288 -2.212 -5.792 1.00 0.00 C ATOM 849 C GLN A 57 4.156 -3.189 -6.115 1.00 0.00 C ATOM 850 O GLN A 57 3.554 -3.766 -5.211 1.00 0.00 O ATOM 851 CB GLN A 57 6.654 -2.875 -5.976 1.00 0.00 C ATOM 852 CG GLN A 57 7.764 -1.827 -6.077 1.00 0.00 C ATOM 853 CD GLN A 57 7.488 -0.844 -7.217 1.00 0.00 C ATOM 854 OE1 GLN A 57 7.219 0.328 -7.009 1.00 0.00 O ATOM 855 NE2 GLN A 57 7.570 -1.385 -8.429 1.00 0.00 N ATOM 0 H GLN A 57 5.544 -2.280 -3.714 1.00 0.00 H new ATOM 0 HA GLN A 57 5.230 -1.376 -6.489 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.854 -3.542 -5.137 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.646 -3.489 -6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.843 -1.284 -5.135 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.722 -2.321 -6.242 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.800 -2.373 -8.532 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.403 -0.811 -9.256 1.00 0.00 H new ATOM 864 N THR A 58 3.901 -3.344 -7.405 1.00 0.00 N ATOM 865 CA THR A 58 2.852 -4.242 -7.858 1.00 0.00 C ATOM 866 C THR A 58 3.224 -5.694 -7.554 1.00 0.00 C ATOM 867 O THR A 58 4.266 -6.177 -7.996 1.00 0.00 O ATOM 868 CB THR A 58 2.610 -3.975 -9.345 1.00 0.00 C ATOM 869 OG1 THR A 58 3.920 -3.844 -9.892 1.00 0.00 O ATOM 870 CG2 THR A 58 1.963 -2.612 -9.598 1.00 0.00 C ATOM 0 H THR A 58 4.403 -2.863 -8.152 1.00 0.00 H new ATOM 0 HA THR A 58 1.919 -4.060 -7.324 1.00 0.00 H new ATOM 0 HB THR A 58 1.975 -4.760 -9.756 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.478 -4.589 -9.586 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.813 -2.473 -10.669 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.001 -2.566 -9.088 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.613 -1.824 -9.218 1.00 0.00 H new ATOM 878 N THR A 59 2.353 -6.350 -6.801 1.00 0.00 N ATOM 879 CA THR A 59 2.578 -7.737 -6.433 1.00 0.00 C ATOM 880 C THR A 59 2.815 -8.589 -7.682 1.00 0.00 C ATOM 881 O THR A 59 3.944 -8.989 -7.959 1.00 0.00 O ATOM 882 CB THR A 59 1.384 -8.204 -5.597 1.00 0.00 C ATOM 883 OG1 THR A 59 1.744 -7.868 -4.260 1.00 0.00 O ATOM 884 CG2 THR A 59 1.245 -9.727 -5.574 1.00 0.00 C ATOM 0 H THR A 59 1.490 -5.946 -6.436 1.00 0.00 H new ATOM 0 HA THR A 59 3.479 -7.844 -5.829 1.00 0.00 H new ATOM 0 HB THR A 59 0.469 -7.762 -5.992 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.300 -8.482 -3.638 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.383 -10.005 -4.967 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.107 -10.095 -6.591 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.146 -10.168 -5.148 1.00 0.00 H new ATOM 892 N ASP A 60 1.731 -8.841 -8.402 1.00 0.00 N ATOM 893 CA ASP A 60 1.807 -9.638 -9.614 1.00 0.00 C ATOM 894 C ASP A 60 1.701 -8.717 -10.832 1.00 0.00 C ATOM 895 O ASP A 60 2.709 -8.207 -11.318 1.00 0.00 O ATOM 896 CB ASP A 60 0.660 -10.647 -9.683 1.00 0.00 C ATOM 897 CG ASP A 60 0.972 -12.024 -9.093 1.00 0.00 C ATOM 898 OD1 ASP A 60 1.703 -12.054 -8.079 1.00 0.00 O ATOM 899 OD2 ASP A 60 0.474 -13.015 -9.669 1.00 0.00 O ATOM 0 H ASP A 60 0.796 -8.507 -8.169 1.00 0.00 H new ATOM 0 HA ASP A 60 2.757 -10.173 -9.607 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.201 -10.231 -9.160 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.369 -10.773 -10.726 1.00 0.00 H new ATOM 904 N ASP A 61 0.471 -8.533 -11.289 1.00 0.00 N ATOM 905 CA ASP A 61 0.220 -7.683 -12.440 1.00 0.00 C ATOM 906 C ASP A 61 -0.659 -6.505 -12.017 1.00 0.00 C ATOM 907 O ASP A 61 -0.278 -5.348 -12.187 1.00 0.00 O ATOM 908 CB ASP A 61 -0.514 -8.450 -13.541 1.00 0.00 C ATOM 909 CG ASP A 61 0.087 -9.813 -13.892 1.00 0.00 C ATOM 910 OD1 ASP A 61 -0.281 -10.789 -13.204 1.00 0.00 O ATOM 911 OD2 ASP A 61 0.901 -9.847 -14.840 1.00 0.00 O ATOM 0 H ASP A 61 -0.362 -8.958 -10.883 1.00 0.00 H new ATOM 0 HA ASP A 61 1.181 -7.338 -12.821 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.550 -8.595 -13.233 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.532 -7.835 -14.441 1.00 0.00 H new ATOM 916 N THR A 62 -1.820 -6.840 -11.473 1.00 0.00 N ATOM 917 CA THR A 62 -2.757 -5.825 -11.024 1.00 0.00 C ATOM 918 C THR A 62 -2.986 -5.940 -9.516 1.00 0.00 C ATOM 919 O THR A 62 -4.065 -6.332 -9.076 1.00 0.00 O ATOM 920 CB THR A 62 -4.040 -5.968 -11.846 1.00 0.00 C ATOM 921 OG1 THR A 62 -3.619 -6.633 -13.034 1.00 0.00 O ATOM 922 CG2 THR A 62 -4.572 -4.622 -12.341 1.00 0.00 C ATOM 0 H THR A 62 -2.133 -7.801 -11.333 1.00 0.00 H new ATOM 0 HA THR A 62 -2.361 -4.823 -11.185 1.00 0.00 H new ATOM 0 HB THR A 62 -4.803 -6.460 -11.244 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.390 -6.768 -13.624 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.483 -4.781 -12.918 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.791 -3.981 -11.487 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.822 -4.144 -12.971 1.00 0.00 H new ATOM 930 N LYS A 63 -1.952 -5.590 -8.764 1.00 0.00 N ATOM 931 CA LYS A 63 -2.027 -5.649 -7.315 1.00 0.00 C ATOM 932 C LYS A 63 -0.991 -4.694 -6.716 1.00 0.00 C ATOM 933 O LYS A 63 0.175 -4.715 -7.104 1.00 0.00 O ATOM 934 CB LYS A 63 -1.885 -7.093 -6.829 1.00 0.00 C ATOM 935 CG LYS A 63 -2.059 -7.180 -5.311 1.00 0.00 C ATOM 936 CD LYS A 63 -3.091 -8.247 -4.938 1.00 0.00 C ATOM 937 CE LYS A 63 -3.297 -8.304 -3.424 1.00 0.00 C ATOM 938 NZ LYS A 63 -4.728 -8.504 -3.102 1.00 0.00 N ATOM 0 H LYS A 63 -1.058 -5.265 -9.132 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.006 -5.316 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.628 -7.721 -7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.905 -7.480 -7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.102 -7.415 -4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.374 -6.212 -4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.039 -8.029 -5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.760 -9.220 -5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.706 -9.117 -3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.941 -7.380 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.036 -7.779 -2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.294 -8.426 -3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.862 -9.447 -2.685 1.00 0.00 H new ATOM 952 N VAL A 64 -1.456 -3.880 -5.780 1.00 0.00 N ATOM 953 CA VAL A 64 -0.585 -2.920 -5.123 1.00 0.00 C ATOM 954 C VAL A 64 -0.577 -3.191 -3.618 1.00 0.00 C ATOM 955 O VAL A 64 -1.632 -3.268 -2.991 1.00 0.00 O ATOM 956 CB VAL A 64 -1.020 -1.495 -5.472 1.00 0.00 C ATOM 957 CG1 VAL A 64 -1.250 -1.344 -6.977 1.00 0.00 C ATOM 958 CG2 VAL A 64 -2.270 -1.095 -4.684 1.00 0.00 C ATOM 0 H VAL A 64 -2.425 -3.865 -5.461 1.00 0.00 H new ATOM 0 HA VAL A 64 0.440 -3.029 -5.478 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.213 -0.820 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.558 -0.322 -7.197 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.326 -1.567 -7.510 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.030 -2.035 -7.297 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.558 -0.078 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.085 -1.778 -4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.058 -1.144 -3.616 1.00 0.00 H new ATOM 968 N LEU A 65 0.627 -3.329 -3.080 1.00 0.00 N ATOM 969 CA LEU A 65 0.786 -3.590 -1.660 1.00 0.00 C ATOM 970 C LEU A 65 0.865 -2.261 -0.907 1.00 0.00 C ATOM 971 O LEU A 65 1.737 -1.438 -1.182 1.00 0.00 O ATOM 972 CB LEU A 65 1.986 -4.507 -1.415 1.00 0.00 C ATOM 973 CG LEU A 65 2.749 -4.280 -0.109 1.00 0.00 C ATOM 974 CD1 LEU A 65 2.006 -4.901 1.075 1.00 0.00 C ATOM 975 CD2 LEU A 65 4.187 -4.793 -0.217 1.00 0.00 C ATOM 0 H LEU A 65 1.501 -3.265 -3.602 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.080 -4.126 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.638 -5.540 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.683 -4.389 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 65 2.803 -3.207 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.570 -4.725 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.019 -4.447 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.899 -5.974 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.707 -4.619 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.177 -5.861 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.703 -4.265 -1.019 1.00 0.00 H new ATOM 987 N CYS A 66 -0.058 -2.091 0.028 1.00 0.00 N ATOM 988 CA CYS A 66 -0.104 -0.876 0.823 1.00 0.00 C ATOM 989 C CYS A 66 0.733 -1.094 2.085 1.00 0.00 C ATOM 990 O CYS A 66 0.926 -2.230 2.517 1.00 0.00 O ATOM 991 CB CYS A 66 -1.542 -0.471 1.155 1.00 0.00 C ATOM 992 SG CYS A 66 -2.569 -0.513 -0.359 1.00 0.00 S ATOM 0 H CYS A 66 -0.780 -2.775 0.253 1.00 0.00 H new ATOM 0 HA CYS A 66 0.314 -0.048 0.250 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.955 -1.147 1.904 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.556 0.530 1.587 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.788 -0.170 -0.066 1.00 0.00 H new ATOM 998 N ARG A 67 1.208 0.011 2.640 1.00 0.00 N ATOM 999 CA ARG A 67 2.020 -0.046 3.844 1.00 0.00 C ATOM 1000 C ARG A 67 1.567 1.023 4.840 1.00 0.00 C ATOM 1001 O ARG A 67 1.245 2.144 4.450 1.00 0.00 O ATOM 1002 CB ARG A 67 3.500 0.163 3.520 1.00 0.00 C ATOM 1003 CG ARG A 67 4.387 -0.684 4.435 1.00 0.00 C ATOM 1004 CD ARG A 67 5.835 -0.189 4.406 1.00 0.00 C ATOM 1005 NE ARG A 67 6.446 -0.336 5.746 1.00 0.00 N ATOM 1006 CZ ARG A 67 7.600 0.255 6.121 1.00 0.00 C ATOM 1007 NH1 ARG A 67 8.279 1.041 5.258 1.00 0.00 N ATOM 1008 NH2 ARG A 67 8.055 0.054 7.343 1.00 0.00 N ATOM 0 H ARG A 67 1.046 0.951 2.278 1.00 0.00 H new ATOM 0 HA ARG A 67 1.892 -1.035 4.284 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.689 -0.100 2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.755 1.217 3.634 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.006 -0.645 5.455 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.349 -1.727 4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.407 -0.756 3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.865 0.856 4.096 1.00 0.00 H new ATOM 0 HE ARG A 67 5.965 -0.921 6.429 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.920 1.192 4.315 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.150 1.484 5.549 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.536 -0.541 7.989 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.926 0.493 7.642 1.00 0.00 H new ATOM 1022 N ASN A 68 1.556 0.638 6.108 1.00 0.00 N ATOM 1023 CA ASN A 68 1.148 1.549 7.164 1.00 0.00 C ATOM 1024 C ASN A 68 2.298 1.718 8.159 1.00 0.00 C ATOM 1025 O ASN A 68 2.998 0.756 8.473 1.00 0.00 O ATOM 1026 CB ASN A 68 -0.060 1.003 7.926 1.00 0.00 C ATOM 1027 CG ASN A 68 -0.060 -0.527 7.930 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -0.587 -1.176 7.042 1.00 0.00 O ATOM 1029 ND2 ASN A 68 0.558 -1.065 8.978 1.00 0.00 N ATOM 0 H ASN A 68 1.823 -0.293 6.428 1.00 0.00 H new ATOM 0 HA ASN A 68 0.884 2.501 6.704 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.045 1.373 8.951 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.979 1.369 7.468 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.611 -2.079 9.073 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.979 -0.463 9.686 1.00 0.00 H new ATOM 1036 N GLU A 69 2.458 2.947 8.627 1.00 0.00 N ATOM 1037 CA GLU A 69 3.511 3.254 9.580 1.00 0.00 C ATOM 1038 C GLU A 69 3.402 2.341 10.803 1.00 0.00 C ATOM 1039 O GLU A 69 4.321 2.279 11.619 1.00 0.00 O ATOM 1040 CB GLU A 69 3.467 4.727 9.990 1.00 0.00 C ATOM 1041 CG GLU A 69 4.799 5.419 9.692 1.00 0.00 C ATOM 1042 CD GLU A 69 5.187 6.371 10.825 1.00 0.00 C ATOM 1043 OE1 GLU A 69 4.930 6.001 11.991 1.00 0.00 O ATOM 1044 OE2 GLU A 69 5.732 7.448 10.499 1.00 0.00 O ATOM 0 H GLU A 69 1.876 3.742 8.364 1.00 0.00 H new ATOM 0 HA GLU A 69 4.473 3.073 9.100 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.663 5.233 9.456 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.242 4.806 11.054 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.580 4.670 9.558 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.724 5.973 8.756 1.00 0.00 H new ATOM 1051 N GLU A 70 2.272 1.655 10.892 1.00 0.00 N ATOM 1052 CA GLU A 70 2.032 0.749 12.001 1.00 0.00 C ATOM 1053 C GLU A 70 3.110 -0.337 12.043 1.00 0.00 C ATOM 1054 O GLU A 70 3.211 -1.078 13.019 1.00 0.00 O ATOM 1055 CB GLU A 70 0.635 0.131 11.912 1.00 0.00 C ATOM 1056 CG GLU A 70 -0.076 0.186 13.266 1.00 0.00 C ATOM 1057 CD GLU A 70 -0.126 1.619 13.801 1.00 0.00 C ATOM 1058 OE1 GLU A 70 -0.726 2.465 13.103 1.00 0.00 O ATOM 1059 OE2 GLU A 70 0.437 1.835 14.896 1.00 0.00 O ATOM 0 H GLU A 70 1.512 1.709 10.213 1.00 0.00 H new ATOM 0 HA GLU A 70 2.083 1.320 12.928 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.045 0.663 11.166 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.712 -0.904 11.579 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.089 -0.204 13.165 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.443 -0.455 13.979 1.00 0.00 H new ATOM 1066 N GLY A 71 3.887 -0.396 10.971 1.00 0.00 N ATOM 1067 CA GLY A 71 4.953 -1.378 10.873 1.00 0.00 C ATOM 1068 C GLY A 71 4.429 -2.701 10.312 1.00 0.00 C ATOM 1069 O GLY A 71 5.107 -3.725 10.391 1.00 0.00 O ATOM 0 H GLY A 71 3.799 0.220 10.163 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.747 -0.996 10.231 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.391 -1.544 11.857 1.00 0.00 H new ATOM 1073 N LYS A 72 3.227 -2.638 9.759 1.00 0.00 N ATOM 1074 CA LYS A 72 2.604 -3.819 9.186 1.00 0.00 C ATOM 1075 C LYS A 72 2.223 -3.534 7.731 1.00 0.00 C ATOM 1076 O LYS A 72 1.890 -2.402 7.384 1.00 0.00 O ATOM 1077 CB LYS A 72 1.429 -4.279 10.050 1.00 0.00 C ATOM 1078 CG LYS A 72 0.564 -5.298 9.304 1.00 0.00 C ATOM 1079 CD LYS A 72 -0.698 -4.639 8.743 1.00 0.00 C ATOM 1080 CE LYS A 72 -1.937 -5.071 9.530 1.00 0.00 C ATOM 1081 NZ LYS A 72 -1.769 -4.768 10.969 1.00 0.00 N ATOM 0 H LYS A 72 2.668 -1.787 9.695 1.00 0.00 H new ATOM 0 HA LYS A 72 3.306 -4.652 9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.803 -4.721 10.973 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.822 -3.419 10.332 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.139 -5.742 8.491 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.287 -6.108 9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.596 -3.555 8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.817 -4.908 7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.817 -4.557 9.144 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.107 -6.139 9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.703 -4.692 11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.227 -5.530 11.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.259 -3.868 11.077 1.00 0.00 H new ATOM 1095 N TYR A 73 2.285 -4.581 6.921 1.00 0.00 N ATOM 1096 CA TYR A 73 1.950 -4.457 5.512 1.00 0.00 C ATOM 1097 C TYR A 73 0.652 -5.199 5.190 1.00 0.00 C ATOM 1098 O TYR A 73 0.164 -5.984 6.001 1.00 0.00 O ATOM 1099 CB TYR A 73 3.102 -5.112 4.747 1.00 0.00 C ATOM 1100 CG TYR A 73 4.394 -4.293 4.747 1.00 0.00 C ATOM 1101 CD1 TYR A 73 5.038 -4.020 5.936 1.00 0.00 C ATOM 1102 CD2 TYR A 73 4.917 -3.828 3.557 1.00 0.00 C ATOM 1103 CE1 TYR A 73 6.254 -3.249 5.936 1.00 0.00 C ATOM 1104 CE2 TYR A 73 6.133 -3.057 3.557 1.00 0.00 C ATOM 1105 CZ TYR A 73 6.742 -2.806 4.747 1.00 0.00 C ATOM 1106 OH TYR A 73 7.891 -2.078 4.747 1.00 0.00 O ATOM 0 H TYR A 73 2.562 -5.518 7.213 1.00 0.00 H new ATOM 0 HA TYR A 73 1.809 -3.411 5.241 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.304 -6.090 5.183 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.791 -5.280 3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.630 -4.385 6.867 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.414 -4.043 2.626 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.767 -3.028 6.860 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.552 -2.686 2.633 1.00 0.00 H new ATOM 0 HH TYR A 73 8.660 -2.681 4.822 1.00 0.00 H new ATOM 1116 N GLY A 74 0.130 -4.924 4.004 1.00 0.00 N ATOM 1117 CA GLY A 74 -1.103 -5.556 3.564 1.00 0.00 C ATOM 1118 C GLY A 74 -1.216 -5.533 2.038 1.00 0.00 C ATOM 1119 O GLY A 74 -0.578 -4.716 1.377 1.00 0.00 O ATOM 0 H GLY A 74 0.538 -4.272 3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.135 -6.586 3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.957 -5.041 4.003 1.00 0.00 H new ATOM 1123 N TYR A 75 -2.033 -6.441 1.524 1.00 0.00 N ATOM 1124 CA TYR A 75 -2.238 -6.536 0.089 1.00 0.00 C ATOM 1125 C TYR A 75 -3.603 -5.970 -0.308 1.00 0.00 C ATOM 1126 O TYR A 75 -4.533 -5.960 0.497 1.00 0.00 O ATOM 1127 CB TYR A 75 -2.202 -8.029 -0.244 1.00 0.00 C ATOM 1128 CG TYR A 75 -0.802 -8.562 -0.557 1.00 0.00 C ATOM 1129 CD1 TYR A 75 0.072 -7.806 -1.311 1.00 0.00 C ATOM 1130 CD2 TYR A 75 -0.414 -9.800 -0.085 1.00 0.00 C ATOM 1131 CE1 TYR A 75 1.389 -8.308 -1.606 1.00 0.00 C ATOM 1132 CE2 TYR A 75 0.903 -10.302 -0.380 1.00 0.00 C ATOM 1133 CZ TYR A 75 1.740 -9.531 -1.126 1.00 0.00 C ATOM 1134 OH TYR A 75 2.984 -10.005 -1.404 1.00 0.00 O ATOM 0 H TYR A 75 -2.561 -7.117 2.076 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.476 -5.970 -0.446 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.613 -8.588 0.596 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.851 -8.216 -1.100 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.232 -6.838 -1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.098 -10.392 0.505 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.082 -7.726 -2.195 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.219 -11.269 -0.017 1.00 0.00 H new ATOM 0 HH TYR A 75 3.627 -9.628 -0.768 1.00 0.00 H new ATOM 1144 N VAL A 76 -3.680 -5.514 -1.550 1.00 0.00 N ATOM 1145 CA VAL A 76 -4.916 -4.948 -2.064 1.00 0.00 C ATOM 1146 C VAL A 76 -5.086 -5.352 -3.529 1.00 0.00 C ATOM 1147 O VAL A 76 -4.192 -5.132 -4.345 1.00 0.00 O ATOM 1148 CB VAL A 76 -4.923 -3.432 -1.857 1.00 0.00 C ATOM 1149 CG1 VAL A 76 -6.350 -2.881 -1.888 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -4.217 -3.053 -0.553 1.00 0.00 C ATOM 0 H VAL A 76 -2.907 -5.525 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.773 -5.341 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.371 -2.979 -2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.327 -1.802 -1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.805 -3.104 -2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.936 -3.345 -1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.236 -1.970 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.728 -3.523 0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.183 -3.396 -0.586 1.00 0.00 H new ATOM 1160 N LEU A 77 -6.240 -5.936 -3.819 1.00 0.00 N ATOM 1161 CA LEU A 77 -6.538 -6.373 -5.172 1.00 0.00 C ATOM 1162 C LEU A 77 -7.001 -5.173 -6.001 1.00 0.00 C ATOM 1163 O LEU A 77 -7.686 -4.288 -5.490 1.00 0.00 O ATOM 1164 CB LEU A 77 -7.540 -7.530 -5.153 1.00 0.00 C ATOM 1165 CG LEU A 77 -7.280 -8.658 -6.153 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -8.526 -9.528 -6.334 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -6.770 -8.104 -7.485 1.00 0.00 C ATOM 0 H LEU A 77 -6.979 -6.116 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.641 -6.765 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.554 -7.956 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.535 -7.126 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.496 -9.298 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.314 -10.322 -7.050 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.805 -9.967 -5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.347 -8.915 -6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.593 -8.927 -8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.514 -7.428 -7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.839 -7.562 -7.321 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.607 -5.181 -7.266 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.973 -4.103 -8.170 1.00 0.00 C ATOM 1181 C ARG A 78 -8.495 -3.963 -8.240 1.00 0.00 C ATOM 1182 O ARG A 78 -9.008 -2.904 -8.598 1.00 0.00 O ATOM 1183 CB ARG A 78 -6.426 -4.355 -9.576 1.00 0.00 C ATOM 1184 CG ARG A 78 -7.381 -5.233 -10.387 1.00 0.00 C ATOM 1185 CD ARG A 78 -7.145 -6.716 -10.095 1.00 0.00 C ATOM 1186 NE ARG A 78 -6.900 -7.448 -11.358 1.00 0.00 N ATOM 1187 CZ ARG A 78 -7.755 -7.464 -12.402 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -8.922 -6.786 -12.343 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -7.434 -8.152 -13.482 1.00 0.00 N ATOM 0 H ARG A 78 -6.038 -5.916 -7.686 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.537 -3.182 -7.782 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.277 -3.404 -10.088 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.451 -4.837 -9.510 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.412 -4.971 -10.149 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.241 -5.042 -11.451 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.292 -6.832 -9.426 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.011 -7.137 -9.583 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.030 -7.973 -11.445 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.163 -6.257 -11.505 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.563 -6.803 -13.137 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.551 -8.661 -13.519 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.069 -8.174 -14.280 1.00 0.00 H new ATOM 1203 N SER A 79 -9.174 -5.046 -7.892 1.00 0.00 N ATOM 1204 CA SER A 79 -10.627 -5.056 -7.910 1.00 0.00 C ATOM 1205 C SER A 79 -11.168 -3.832 -7.171 1.00 0.00 C ATOM 1206 O SER A 79 -11.898 -3.026 -7.747 1.00 0.00 O ATOM 1207 CB SER A 79 -11.176 -6.340 -7.285 1.00 0.00 C ATOM 1208 OG SER A 79 -12.360 -6.789 -7.940 1.00 0.00 O ATOM 0 H SER A 79 -8.745 -5.923 -7.596 1.00 0.00 H new ATOM 0 HA SER A 79 -10.957 -5.020 -8.948 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.417 -7.120 -7.334 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.389 -6.168 -6.230 1.00 0.00 H new ATOM 0 HG SER A 79 -12.678 -7.612 -7.513 1.00 0.00 H new ATOM 1214 N TYR A 80 -10.791 -3.730 -5.905 1.00 0.00 N ATOM 1215 CA TYR A 80 -11.230 -2.617 -5.080 1.00 0.00 C ATOM 1216 C TYR A 80 -10.038 -1.781 -4.607 1.00 0.00 C ATOM 1217 O TYR A 80 -9.541 -1.975 -3.499 1.00 0.00 O ATOM 1218 CB TYR A 80 -11.916 -3.239 -3.863 1.00 0.00 C ATOM 1219 CG TYR A 80 -11.127 -4.380 -3.219 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -10.152 -4.103 -2.282 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -11.389 -5.688 -3.575 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -9.409 -5.177 -1.675 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -10.646 -6.762 -2.969 1.00 0.00 C ATOM 1224 CZ TYR A 80 -9.693 -6.454 -2.049 1.00 0.00 C ATOM 1225 OH TYR A 80 -8.991 -7.468 -1.476 1.00 0.00 O ATOM 0 H TYR A 80 -10.186 -4.400 -5.430 1.00 0.00 H new ATOM 0 HA TYR A 80 -11.893 -1.960 -5.643 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -12.085 -2.462 -3.118 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -12.895 -3.612 -4.162 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.946 -3.080 -2.004 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -12.152 -5.906 -4.308 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.644 -4.974 -0.940 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.841 -7.789 -3.239 1.00 0.00 H new ATOM 0 HH TYR A 80 -8.786 -7.239 -0.545 1.00 0.00 H new ATOM 1235 N LEU A 81 -9.615 -0.870 -5.471 1.00 0.00 N ATOM 1236 CA LEU A 81 -8.491 -0.005 -5.155 1.00 0.00 C ATOM 1237 C LEU A 81 -8.449 1.154 -6.153 1.00 0.00 C ATOM 1238 O LEU A 81 -9.216 1.177 -7.115 1.00 0.00 O ATOM 1239 CB LEU A 81 -7.193 -0.813 -5.096 1.00 0.00 C ATOM 1240 CG LEU A 81 -5.951 -0.130 -5.673 1.00 0.00 C ATOM 1241 CD1 LEU A 81 -5.304 0.795 -4.641 1.00 0.00 C ATOM 1242 CD2 LEU A 81 -4.962 -1.162 -6.218 1.00 0.00 C ATOM 0 H LEU A 81 -10.030 -0.712 -6.389 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.613 0.431 -4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.993 -1.067 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.348 -1.751 -5.629 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.262 0.493 -6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.424 1.267 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.018 1.563 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.009 0.215 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.088 -0.651 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.652 -1.829 -5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.440 -1.743 -7.007 1.00 0.00 H new ATOM 1254 N ALA A 82 -7.546 2.087 -5.891 1.00 0.00 N ATOM 1255 CA ALA A 82 -7.394 3.246 -6.754 1.00 0.00 C ATOM 1256 C ALA A 82 -6.559 2.860 -7.976 1.00 0.00 C ATOM 1257 O ALA A 82 -6.050 1.743 -8.057 1.00 0.00 O ATOM 1258 CB ALA A 82 -6.770 4.396 -5.961 1.00 0.00 C ATOM 0 H ALA A 82 -6.912 2.064 -5.093 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.365 3.587 -7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.656 5.265 -6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.416 4.652 -5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.792 4.092 -5.587 1.00 0.00 H new ATOM 1264 N ASP A 83 -6.443 3.806 -8.897 1.00 0.00 N ATOM 1265 CA ASP A 83 -5.678 3.579 -10.111 1.00 0.00 C ATOM 1266 C ASP A 83 -4.250 3.174 -9.740 1.00 0.00 C ATOM 1267 O ASP A 83 -3.859 3.257 -8.577 1.00 0.00 O ATOM 1268 CB ASP A 83 -5.604 4.849 -10.961 1.00 0.00 C ATOM 1269 CG ASP A 83 -6.420 4.809 -12.254 1.00 0.00 C ATOM 1270 OD1 ASP A 83 -7.654 4.643 -12.142 1.00 0.00 O ATOM 1271 OD2 ASP A 83 -5.792 4.946 -13.326 1.00 0.00 O ATOM 0 H ASP A 83 -6.866 4.731 -8.826 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.174 2.793 -10.680 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.945 5.691 -10.359 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.561 5.039 -11.213 1.00 0.00 H new TER 1276 ASP A 83