USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 ASN : amide:sc= -1.09 X(o=-0.065,f=-0.14) USER MOD Set 1.2: A 50 HIS : no HD1:sc= 1.03 K(o=-0.065,f=-12!) USER MOD Set 2.1: A 42 SER OG : rot -99:sc= 0.689 USER MOD Set 2.2: A 45 GLN : amide:sc= -0.577 K(o=0.11,f=-1.2) USER MOD Set 3.1: A 9 MET CE :methyl -156:sc=-0.00106 (180deg=-0.397) USER MOD Set 3.2: A 17 THR OG1 : rot 64:sc= 0.653 USER MOD Set 4.1: A 10 THR OG1 : rot 180:sc= -1.67! USER MOD Set 4.2: A 13 GLN : amide:sc= -0.613 K(o=-2.3,f=-1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.754 K(o=-0.75,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 177:sc= 0.731 (180deg=0.685) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0516 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 2.02 (180deg=2.02) USER MOD Single : A 16 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.21) USER MOD Single : A 18 HIS : no HD1:sc= -2.54! C(o=-2.5!,f=-2.3!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -34:sc= 0.214 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -140:sc= -0.142 (180deg=-0.614) USER MOD Single : A 39 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.38) USER MOD Single : A 40 ASN : amide:sc=-0.00995 X(o=-0.0099,f=0) USER MOD Single : A 48 ASN : amide:sc= -2.08! K(o=-2.1!,f=-0.036) USER MOD Single : A 53 ASN : amide:sc= -0.0403 K(o=-0.04,f=-1.3) USER MOD Single : A 62 ASN : amide:sc= 1.01 K(o=1,f=-10!) USER MOD Single : A 68 HIS : no HD1:sc= -1.12 K(o=-1.1,f=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.764 K(o=-0.76,f=0.012) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.594 X(o=-0.59,f=-0.59) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.631 10.770 0.618 1.00 63.13 N ATOM 2 CA MET A 1 -15.478 11.606 0.187 1.00 31.40 C ATOM 3 C MET A 1 -14.633 10.880 -0.872 1.00 71.31 C ATOM 4 O MET A 1 -14.016 9.855 -0.584 1.00 64.52 O ATOM 5 CB MET A 1 -14.602 11.957 1.400 1.00 41.11 C ATOM 6 CG MET A 1 -13.400 12.834 1.068 1.00 2.32 C ATOM 7 SD MET A 1 -12.359 13.155 2.507 1.00 12.15 S ATOM 8 CE MET A 1 -11.101 14.213 1.792 1.00 51.43 C ATOM 0 H1 MET A 1 -17.184 11.284 1.333 1.00 63.13 H new ATOM 0 H2 MET A 1 -17.235 10.561 -0.203 1.00 63.13 H new ATOM 0 H3 MET A 1 -16.281 9.880 1.026 1.00 63.13 H new ATOM 0 HA MET A 1 -15.870 12.522 -0.256 1.00 31.40 H new ATOM 0 HB2 MET A 1 -15.216 12.467 2.142 1.00 41.11 H new ATOM 0 HB3 MET A 1 -14.249 11.033 1.859 1.00 41.11 H new ATOM 0 HG2 MET A 1 -12.805 12.350 0.294 1.00 2.32 H new ATOM 0 HG3 MET A 1 -13.748 13.782 0.657 1.00 2.32 H new ATOM 0 HE1 MET A 1 -10.383 14.495 2.562 1.00 51.43 H new ATOM 0 HE2 MET A 1 -10.586 13.678 0.994 1.00 51.43 H new ATOM 0 HE3 MET A 1 -11.568 15.110 1.385 1.00 51.43 H new ATOM 20 N THR A 2 -14.610 11.410 -2.096 1.00 61.21 N ATOM 21 CA THR A 2 -13.816 10.815 -3.183 1.00 21.11 C ATOM 22 C THR A 2 -12.316 10.792 -2.846 1.00 5.15 C ATOM 23 O THR A 2 -11.643 11.822 -2.870 1.00 31.34 O ATOM 24 CB THR A 2 -14.023 11.570 -4.523 1.00 2.44 C ATOM 25 OG1 THR A 2 -15.412 11.538 -4.896 1.00 42.13 O ATOM 26 CG2 THR A 2 -13.189 10.951 -5.642 1.00 55.20 C ATOM 0 H THR A 2 -15.128 12.247 -2.363 1.00 61.21 H new ATOM 0 HA THR A 2 -14.170 9.790 -3.293 1.00 21.11 H new ATOM 0 HB THR A 2 -13.701 12.601 -4.378 1.00 2.44 H new ATOM 0 HG1 THR A 2 -15.535 12.018 -5.742 1.00 42.13 H new ATOM 0 HG21 THR A 2 -13.356 11.502 -6.568 1.00 55.20 H new ATOM 0 HG22 THR A 2 -12.133 10.998 -5.377 1.00 55.20 H new ATOM 0 HG23 THR A 2 -13.482 9.910 -5.781 1.00 55.20 H new ATOM 34 N GLN A 3 -11.802 9.609 -2.516 1.00 20.44 N ATOM 35 CA GLN A 3 -10.387 9.445 -2.165 1.00 71.10 C ATOM 36 C GLN A 3 -9.534 9.098 -3.395 1.00 14.32 C ATOM 37 O GLN A 3 -10.043 8.972 -4.510 1.00 35.32 O ATOM 38 CB GLN A 3 -10.234 8.360 -1.089 1.00 2.12 C ATOM 39 CG GLN A 3 -10.899 8.715 0.237 1.00 53.05 C ATOM 40 CD GLN A 3 -10.768 7.623 1.289 1.00 61.44 C ATOM 41 OE1 GLN A 3 -11.633 7.468 2.143 1.00 12.24 O ATOM 42 NE2 GLN A 3 -9.686 6.865 1.244 1.00 5.32 N ATOM 0 H GLN A 3 -12.344 8.745 -2.483 1.00 20.44 H new ATOM 0 HA GLN A 3 -10.028 10.396 -1.772 1.00 71.10 H new ATOM 0 HB2 GLN A 3 -10.660 7.428 -1.461 1.00 2.12 H new ATOM 0 HB3 GLN A 3 -9.173 8.179 -0.916 1.00 2.12 H new ATOM 0 HG2 GLN A 3 -10.458 9.635 0.622 1.00 53.05 H new ATOM 0 HG3 GLN A 3 -11.956 8.917 0.063 1.00 53.05 H new ATOM 0 HE21 GLN A 3 -8.985 7.020 0.520 1.00 5.32 H new ATOM 0 HE22 GLN A 3 -9.553 6.125 1.933 1.00 5.32 H new ATOM 51 N LYS A 4 -8.226 8.970 -3.186 1.00 72.30 N ATOM 52 CA LYS A 4 -7.291 8.613 -4.266 1.00 44.21 C ATOM 53 C LYS A 4 -6.607 7.264 -3.994 1.00 61.13 C ATOM 54 O LYS A 4 -6.020 6.656 -4.891 1.00 22.01 O ATOM 55 CB LYS A 4 -6.241 9.724 -4.432 1.00 5.13 C ATOM 56 CG LYS A 4 -6.822 11.082 -4.853 1.00 4.31 C ATOM 57 CD LYS A 4 -6.831 11.284 -6.374 1.00 62.13 C ATOM 58 CE LYS A 4 -7.659 10.234 -7.116 1.00 43.04 C ATOM 59 NZ LYS A 4 -9.084 10.217 -6.684 1.00 75.03 N ATOM 0 H LYS A 4 -7.782 9.107 -2.278 1.00 72.30 H new ATOM 0 HA LYS A 4 -7.859 8.513 -5.191 1.00 44.21 H new ATOM 0 HB2 LYS A 4 -5.706 9.847 -3.490 1.00 5.13 H new ATOM 0 HB3 LYS A 4 -5.509 9.408 -5.175 1.00 5.13 H new ATOM 0 HG2 LYS A 4 -7.840 11.168 -4.474 1.00 4.31 H new ATOM 0 HG3 LYS A 4 -6.241 11.879 -4.389 1.00 4.31 H new ATOM 0 HD2 LYS A 4 -7.225 12.275 -6.600 1.00 62.13 H new ATOM 0 HD3 LYS A 4 -5.806 11.257 -6.744 1.00 62.13 H new ATOM 0 HE2 LYS A 4 -7.610 10.429 -8.187 1.00 43.04 H new ATOM 0 HE3 LYS A 4 -7.222 9.249 -6.951 1.00 43.04 H new ATOM 0 HZ1 LYS A 4 -9.611 9.524 -7.253 1.00 75.03 H new ATOM 0 HZ2 LYS A 4 -9.139 9.954 -5.679 1.00 75.03 H new ATOM 0 HZ3 LYS A 4 -9.499 11.161 -6.818 1.00 75.03 H new ATOM 73 N PHE A 5 -6.682 6.810 -2.745 1.00 23.23 N ATOM 74 CA PHE A 5 -6.127 5.512 -2.347 1.00 43.30 C ATOM 75 C PHE A 5 -7.151 4.704 -1.541 1.00 33.42 C ATOM 76 O PHE A 5 -7.711 5.197 -0.555 1.00 75.32 O ATOM 77 CB PHE A 5 -4.847 5.701 -1.523 1.00 21.41 C ATOM 78 CG PHE A 5 -3.706 6.299 -2.308 1.00 14.04 C ATOM 79 CD1 PHE A 5 -3.558 7.675 -2.415 1.00 41.43 C ATOM 80 CD2 PHE A 5 -2.781 5.479 -2.937 1.00 32.33 C ATOM 81 CE1 PHE A 5 -2.514 8.219 -3.137 1.00 42.44 C ATOM 82 CE2 PHE A 5 -1.736 6.020 -3.660 1.00 50.10 C ATOM 83 CZ PHE A 5 -1.601 7.391 -3.757 1.00 73.53 C ATOM 0 H PHE A 5 -7.125 7.324 -1.983 1.00 23.23 H new ATOM 0 HA PHE A 5 -5.884 4.960 -3.255 1.00 43.30 H new ATOM 0 HB2 PHE A 5 -5.066 6.343 -0.670 1.00 21.41 H new ATOM 0 HB3 PHE A 5 -4.536 4.736 -1.124 1.00 21.41 H new ATOM 0 HD1 PHE A 5 -4.267 8.328 -1.928 1.00 41.43 H new ATOM 0 HD2 PHE A 5 -2.879 4.406 -2.861 1.00 32.33 H new ATOM 0 HE1 PHE A 5 -2.412 9.291 -3.216 1.00 42.44 H new ATOM 0 HE2 PHE A 5 -1.025 5.371 -4.149 1.00 50.10 H new ATOM 0 HZ PHE A 5 -0.781 7.815 -4.318 1.00 73.53 H new ATOM 93 N THR A 6 -7.386 3.467 -1.964 1.00 53.03 N ATOM 94 CA THR A 6 -8.351 2.576 -1.301 1.00 3.34 C ATOM 95 C THR A 6 -7.783 1.164 -1.134 1.00 50.23 C ATOM 96 O THR A 6 -6.931 0.733 -1.903 1.00 41.24 O ATOM 97 CB THR A 6 -9.681 2.482 -2.092 1.00 21.40 C ATOM 98 OG1 THR A 6 -10.545 1.504 -1.489 1.00 53.40 O ATOM 99 CG2 THR A 6 -9.431 2.114 -3.554 1.00 23.23 C ATOM 0 H THR A 6 -6.920 3.049 -2.770 1.00 53.03 H new ATOM 0 HA THR A 6 -8.546 3.010 -0.320 1.00 3.34 H new ATOM 0 HB THR A 6 -10.159 3.461 -2.061 1.00 21.40 H new ATOM 0 HG1 THR A 6 -11.383 1.452 -1.994 1.00 53.40 H new ATOM 0 HG21 THR A 6 -10.383 2.056 -4.082 1.00 23.23 H new ATOM 0 HG22 THR A 6 -8.804 2.875 -4.019 1.00 23.23 H new ATOM 0 HG23 THR A 6 -8.928 1.148 -3.605 1.00 23.23 H new ATOM 107 N LYS A 7 -8.276 0.439 -0.137 1.00 74.31 N ATOM 108 CA LYS A 7 -7.818 -0.933 0.130 1.00 32.22 C ATOM 109 C LYS A 7 -8.084 -1.867 -1.063 1.00 45.30 C ATOM 110 O LYS A 7 -7.487 -2.943 -1.172 1.00 73.10 O ATOM 111 CB LYS A 7 -8.529 -1.475 1.371 1.00 2.30 C ATOM 112 CG LYS A 7 -10.050 -1.516 1.227 1.00 74.24 C ATOM 113 CD LYS A 7 -10.720 -2.120 2.453 1.00 50.35 C ATOM 114 CE LYS A 7 -10.394 -1.339 3.719 1.00 62.25 C ATOM 115 NZ LYS A 7 -10.973 -1.976 4.930 1.00 72.54 N ATOM 0 H LYS A 7 -8.995 0.773 0.505 1.00 74.31 H new ATOM 0 HA LYS A 7 -6.741 -0.900 0.295 1.00 32.22 H new ATOM 0 HB2 LYS A 7 -8.164 -2.480 1.580 1.00 2.30 H new ATOM 0 HB3 LYS A 7 -8.269 -0.856 2.230 1.00 2.30 H new ATOM 0 HG2 LYS A 7 -10.427 -0.506 1.068 1.00 74.24 H new ATOM 0 HG3 LYS A 7 -10.316 -2.098 0.344 1.00 74.24 H new ATOM 0 HD2 LYS A 7 -11.800 -2.138 2.305 1.00 50.35 H new ATOM 0 HD3 LYS A 7 -10.397 -3.154 2.571 1.00 50.35 H new ATOM 0 HE2 LYS A 7 -9.312 -1.264 3.831 1.00 62.25 H new ATOM 0 HE3 LYS A 7 -10.776 -0.322 3.626 1.00 62.25 H new ATOM 0 HZ1 LYS A 7 -10.728 -1.413 5.769 1.00 72.54 H new ATOM 0 HZ2 LYS A 7 -12.008 -2.024 4.836 1.00 72.54 H new ATOM 0 HZ3 LYS A 7 -10.589 -2.937 5.034 1.00 72.54 H new ATOM 129 N ASP A 8 -8.996 -1.448 -1.937 1.00 63.41 N ATOM 130 CA ASP A 8 -9.377 -2.223 -3.119 1.00 65.25 C ATOM 131 C ASP A 8 -8.266 -2.243 -4.186 1.00 12.35 C ATOM 132 O ASP A 8 -8.052 -3.260 -4.855 1.00 30.34 O ATOM 133 CB ASP A 8 -10.662 -1.631 -3.708 1.00 20.24 C ATOM 134 CG ASP A 8 -11.142 -2.370 -4.940 1.00 11.21 C ATOM 135 OD1 ASP A 8 -11.799 -3.420 -4.789 1.00 52.32 O ATOM 136 OD2 ASP A 8 -10.866 -1.909 -6.065 1.00 50.32 O ATOM 0 H ASP A 8 -9.493 -0.562 -1.847 1.00 63.41 H new ATOM 0 HA ASP A 8 -9.541 -3.256 -2.811 1.00 65.25 H new ATOM 0 HB2 ASP A 8 -11.445 -1.651 -2.950 1.00 20.24 H new ATOM 0 HB3 ASP A 8 -10.491 -0.585 -3.962 1.00 20.24 H new ATOM 141 N MET A 9 -7.561 -1.121 -4.337 1.00 13.43 N ATOM 142 CA MET A 9 -6.538 -0.983 -5.381 1.00 44.51 C ATOM 143 C MET A 9 -5.298 -1.839 -5.073 1.00 54.12 C ATOM 144 O MET A 9 -5.017 -2.164 -3.915 1.00 72.41 O ATOM 145 CB MET A 9 -6.139 0.494 -5.548 1.00 3.31 C ATOM 146 CG MET A 9 -5.316 1.054 -4.394 1.00 2.51 C ATOM 147 SD MET A 9 -5.258 2.858 -4.383 1.00 52.15 S ATOM 148 CE MET A 9 -4.530 3.199 -5.985 1.00 13.33 C ATOM 0 H MET A 9 -7.678 -0.294 -3.752 1.00 13.43 H new ATOM 0 HA MET A 9 -6.967 -1.343 -6.316 1.00 44.51 H new ATOM 0 HB2 MET A 9 -5.570 0.603 -6.471 1.00 3.31 H new ATOM 0 HB3 MET A 9 -7.043 1.093 -5.658 1.00 3.31 H new ATOM 0 HG2 MET A 9 -5.736 0.703 -3.451 1.00 2.51 H new ATOM 0 HG3 MET A 9 -4.300 0.663 -4.456 1.00 2.51 H new ATOM 0 HE1 MET A 9 -4.047 4.176 -5.965 1.00 13.33 H new ATOM 0 HE2 MET A 9 -3.790 2.433 -6.219 1.00 13.33 H new ATOM 0 HE3 MET A 9 -5.309 3.195 -6.747 1.00 13.33 H new ATOM 158 N THR A 10 -4.560 -2.199 -6.114 1.00 13.23 N ATOM 159 CA THR A 10 -3.356 -3.023 -5.961 1.00 3.45 C ATOM 160 C THR A 10 -2.130 -2.181 -5.592 1.00 62.43 C ATOM 161 O THR A 10 -2.102 -0.966 -5.819 1.00 34.04 O ATOM 162 CB THR A 10 -3.040 -3.810 -7.254 1.00 51.13 C ATOM 163 OG1 THR A 10 -2.736 -2.900 -8.321 1.00 10.23 O ATOM 164 CG2 THR A 10 -4.215 -4.700 -7.659 1.00 4.34 C ATOM 0 H THR A 10 -4.769 -1.936 -7.077 1.00 13.23 H new ATOM 0 HA THR A 10 -3.569 -3.720 -5.151 1.00 3.45 H new ATOM 0 HB THR A 10 -2.177 -4.446 -7.059 1.00 51.13 H new ATOM 0 HG1 THR A 10 -2.536 -3.406 -9.136 1.00 10.23 H new ATOM 0 HG21 THR A 10 -3.964 -5.241 -8.571 1.00 4.34 H new ATOM 0 HG22 THR A 10 -4.424 -5.412 -6.861 1.00 4.34 H new ATOM 0 HG23 THR A 10 -5.096 -4.082 -7.834 1.00 4.34 H new ATOM 172 N PHE A 11 -1.115 -2.834 -5.019 1.00 23.42 N ATOM 173 CA PHE A 11 0.144 -2.163 -4.676 1.00 74.04 C ATOM 174 C PHE A 11 0.752 -1.455 -5.897 1.00 22.34 C ATOM 175 O PHE A 11 1.253 -0.335 -5.788 1.00 34.14 O ATOM 176 CB PHE A 11 1.148 -3.170 -4.100 1.00 54.03 C ATOM 177 CG PHE A 11 0.778 -3.679 -2.727 1.00 71.43 C ATOM 178 CD1 PHE A 11 -0.014 -4.807 -2.572 1.00 53.33 C ATOM 179 CD2 PHE A 11 1.229 -3.024 -1.589 1.00 14.11 C ATOM 180 CE1 PHE A 11 -0.348 -5.271 -1.313 1.00 22.03 C ATOM 181 CE2 PHE A 11 0.897 -3.484 -0.331 1.00 52.30 C ATOM 182 CZ PHE A 11 0.108 -4.608 -0.192 1.00 65.45 C ATOM 0 H PHE A 11 -1.140 -3.826 -4.783 1.00 23.42 H new ATOM 0 HA PHE A 11 -0.078 -1.408 -3.921 1.00 74.04 H new ATOM 0 HB2 PHE A 11 1.231 -4.017 -4.781 1.00 54.03 H new ATOM 0 HB3 PHE A 11 2.131 -2.702 -4.051 1.00 54.03 H new ATOM 0 HD1 PHE A 11 -0.374 -5.330 -3.446 1.00 53.33 H new ATOM 0 HD2 PHE A 11 1.847 -2.144 -1.689 1.00 14.11 H new ATOM 0 HE1 PHE A 11 -0.965 -6.151 -1.207 1.00 22.03 H new ATOM 0 HE2 PHE A 11 1.255 -2.964 0.545 1.00 52.30 H new ATOM 0 HZ PHE A 11 -0.152 -4.968 0.792 1.00 65.45 H new ATOM 192 N ALA A 12 0.690 -2.112 -7.058 1.00 54.11 N ATOM 193 CA ALA A 12 1.183 -1.523 -8.308 1.00 61.03 C ATOM 194 C ALA A 12 0.468 -0.199 -8.627 1.00 10.24 C ATOM 195 O ALA A 12 1.110 0.802 -8.955 1.00 61.02 O ATOM 196 CB ALA A 12 1.013 -2.508 -9.461 1.00 43.24 C ATOM 0 H ALA A 12 0.304 -3.051 -7.160 1.00 54.11 H new ATOM 0 HA ALA A 12 2.243 -1.307 -8.179 1.00 61.03 H new ATOM 0 HB1 ALA A 12 1.383 -2.057 -10.382 1.00 43.24 H new ATOM 0 HB2 ALA A 12 1.577 -3.417 -9.249 1.00 43.24 H new ATOM 0 HB3 ALA A 12 -0.042 -2.755 -9.576 1.00 43.24 H new ATOM 202 N GLN A 13 -0.864 -0.197 -8.520 1.00 74.54 N ATOM 203 CA GLN A 13 -1.659 1.010 -8.783 1.00 53.45 C ATOM 204 C GLN A 13 -1.289 2.149 -7.820 1.00 31.52 C ATOM 205 O GLN A 13 -1.111 3.293 -8.241 1.00 35.31 O ATOM 206 CB GLN A 13 -3.160 0.700 -8.675 1.00 72.31 C ATOM 207 CG GLN A 13 -3.650 -0.319 -9.698 1.00 62.44 C ATOM 208 CD GLN A 13 -5.131 -0.648 -9.561 1.00 42.15 C ATOM 209 OE1 GLN A 13 -5.551 -1.767 -9.834 1.00 30.05 O ATOM 210 NE2 GLN A 13 -5.934 0.321 -9.168 1.00 14.43 N ATOM 0 H GLN A 13 -1.414 -1.014 -8.254 1.00 74.54 H new ATOM 0 HA GLN A 13 -1.433 1.337 -9.798 1.00 53.45 H new ATOM 0 HB2 GLN A 13 -3.374 0.328 -7.673 1.00 72.31 H new ATOM 0 HB3 GLN A 13 -3.723 1.625 -8.798 1.00 72.31 H new ATOM 0 HG2 GLN A 13 -3.462 0.064 -10.701 1.00 62.44 H new ATOM 0 HG3 GLN A 13 -3.070 -1.236 -9.593 1.00 62.44 H new ATOM 0 HE21 GLN A 13 -5.553 1.241 -8.948 1.00 14.43 H new ATOM 0 HE22 GLN A 13 -6.936 0.150 -9.084 1.00 14.43 H new ATOM 219 N ALA A 14 -1.165 1.825 -6.531 1.00 64.13 N ATOM 220 CA ALA A 14 -0.793 2.814 -5.509 1.00 75.32 C ATOM 221 C ALA A 14 0.552 3.483 -5.836 1.00 30.10 C ATOM 222 O ALA A 14 0.658 4.713 -5.857 1.00 62.34 O ATOM 223 CB ALA A 14 -0.741 2.150 -4.135 1.00 22.32 C ATOM 0 H ALA A 14 -1.316 0.884 -6.167 1.00 64.13 H new ATOM 0 HA ALA A 14 -1.554 3.594 -5.500 1.00 75.32 H new ATOM 0 HB1 ALA A 14 -0.465 2.890 -3.384 1.00 22.32 H new ATOM 0 HB2 ALA A 14 -1.720 1.736 -3.894 1.00 22.32 H new ATOM 0 HB3 ALA A 14 -0.001 1.350 -4.145 1.00 22.32 H new ATOM 229 N LEU A 15 1.568 2.662 -6.113 1.00 33.24 N ATOM 230 CA LEU A 15 2.906 3.158 -6.476 1.00 21.52 C ATOM 231 C LEU A 15 2.855 4.092 -7.697 1.00 21.32 C ATOM 232 O LEU A 15 3.611 5.061 -7.784 1.00 34.24 O ATOM 233 CB LEU A 15 3.849 1.979 -6.771 1.00 0.03 C ATOM 234 CG LEU A 15 4.154 1.059 -5.575 1.00 2.53 C ATOM 235 CD1 LEU A 15 5.019 -0.127 -6.009 1.00 12.21 C ATOM 236 CD2 LEU A 15 4.832 1.845 -4.451 1.00 13.12 C ATOM 0 H LEU A 15 1.493 1.645 -6.094 1.00 33.24 H new ATOM 0 HA LEU A 15 3.284 3.728 -5.627 1.00 21.52 H new ATOM 0 HB2 LEU A 15 3.412 1.377 -7.568 1.00 0.03 H new ATOM 0 HB3 LEU A 15 4.790 2.376 -7.151 1.00 0.03 H new ATOM 0 HG LEU A 15 3.210 0.667 -5.196 1.00 2.53 H new ATOM 0 HD11 LEU A 15 5.222 -0.764 -5.148 1.00 12.21 H new ATOM 0 HD12 LEU A 15 4.492 -0.703 -6.770 1.00 12.21 H new ATOM 0 HD13 LEU A 15 5.960 0.240 -6.419 1.00 12.21 H new ATOM 0 HD21 LEU A 15 5.040 1.178 -3.614 1.00 13.12 H new ATOM 0 HD22 LEU A 15 5.767 2.270 -4.817 1.00 13.12 H new ATOM 0 HD23 LEU A 15 4.173 2.648 -4.120 1.00 13.12 H new ATOM 248 N GLN A 16 1.970 3.788 -8.641 1.00 41.14 N ATOM 249 CA GLN A 16 1.833 4.596 -9.859 1.00 40.25 C ATOM 250 C GLN A 16 1.000 5.870 -9.629 1.00 50.02 C ATOM 251 O GLN A 16 1.151 6.854 -10.355 1.00 10.31 O ATOM 252 CB GLN A 16 1.223 3.754 -10.986 1.00 23.44 C ATOM 253 CG GLN A 16 2.144 2.647 -11.488 1.00 44.22 C ATOM 254 CD GLN A 16 3.471 3.186 -12.003 1.00 23.44 C ATOM 255 OE1 GLN A 16 3.604 3.531 -13.172 1.00 1.34 O ATOM 256 NE2 GLN A 16 4.462 3.266 -11.137 1.00 55.52 N ATOM 0 H GLN A 16 1.336 2.991 -8.591 1.00 41.14 H new ATOM 0 HA GLN A 16 2.834 4.918 -10.148 1.00 40.25 H new ATOM 0 HB2 GLN A 16 0.293 3.309 -10.633 1.00 23.44 H new ATOM 0 HB3 GLN A 16 0.967 4.408 -11.819 1.00 23.44 H new ATOM 0 HG2 GLN A 16 2.331 1.939 -10.680 1.00 44.22 H new ATOM 0 HG3 GLN A 16 1.645 2.096 -12.285 1.00 44.22 H new ATOM 0 HE21 GLN A 16 4.320 2.971 -10.171 1.00 55.52 H new ATOM 0 HE22 GLN A 16 5.370 3.623 -11.433 1.00 55.52 H new ATOM 265 N THR A 17 0.121 5.857 -8.627 1.00 34.33 N ATOM 266 CA THR A 17 -0.659 7.053 -8.282 1.00 35.32 C ATOM 267 C THR A 17 0.242 8.118 -7.632 1.00 43.41 C ATOM 268 O THR A 17 0.180 9.297 -7.976 1.00 4.34 O ATOM 269 CB THR A 17 -1.842 6.729 -7.330 1.00 20.44 C ATOM 270 OG1 THR A 17 -2.703 5.738 -7.917 1.00 65.13 O ATOM 271 CG2 THR A 17 -2.657 7.983 -7.019 1.00 53.13 C ATOM 0 H THR A 17 -0.070 5.043 -8.043 1.00 34.33 H new ATOM 0 HA THR A 17 -1.072 7.438 -9.214 1.00 35.32 H new ATOM 0 HB THR A 17 -1.422 6.342 -6.402 1.00 20.44 H new ATOM 0 HG1 THR A 17 -2.208 4.899 -8.028 1.00 65.13 H new ATOM 0 HG21 THR A 17 -3.479 7.726 -6.350 1.00 53.13 H new ATOM 0 HG22 THR A 17 -2.017 8.723 -6.539 1.00 53.13 H new ATOM 0 HG23 THR A 17 -3.058 8.395 -7.945 1.00 53.13 H new ATOM 279 N HIS A 18 1.079 7.689 -6.686 1.00 0.25 N ATOM 280 CA HIS A 18 2.080 8.569 -6.057 1.00 63.20 C ATOM 281 C HIS A 18 3.347 7.781 -5.676 1.00 54.30 C ATOM 282 O HIS A 18 3.289 6.860 -4.865 1.00 42.51 O ATOM 283 CB HIS A 18 1.498 9.268 -4.812 1.00 1.41 C ATOM 284 CG HIS A 18 0.774 10.545 -5.116 1.00 11.11 C ATOM 285 ND1 HIS A 18 1.380 11.779 -5.062 1.00 15.21 N ATOM 286 CD2 HIS A 18 -0.510 10.780 -5.477 1.00 14.20 C ATOM 287 CE1 HIS A 18 0.509 12.712 -5.381 1.00 64.20 C ATOM 288 NE2 HIS A 18 -0.647 12.136 -5.637 1.00 43.14 N ATOM 0 H HIS A 18 1.087 6.732 -6.333 1.00 0.25 H new ATOM 0 HA HIS A 18 2.352 9.331 -6.787 1.00 63.20 H new ATOM 0 HB2 HIS A 18 0.813 8.584 -4.310 1.00 1.41 H new ATOM 0 HB3 HIS A 18 2.308 9.478 -4.113 1.00 1.41 H new ATOM 0 HD2 HIS A 18 -1.283 10.038 -5.614 1.00 14.20 H new ATOM 0 HE1 HIS A 18 0.709 13.772 -5.425 1.00 64.20 H new ATOM 0 HE2 HIS A 18 -1.503 12.618 -5.909 1.00 43.14 H new ATOM 297 N PRO A 19 4.514 8.138 -6.253 1.00 12.24 N ATOM 298 CA PRO A 19 5.797 7.462 -5.953 1.00 22.32 C ATOM 299 C PRO A 19 6.146 7.444 -4.450 1.00 32.10 C ATOM 300 O PRO A 19 6.908 6.588 -3.987 1.00 1.22 O ATOM 301 CB PRO A 19 6.824 8.297 -6.734 1.00 32.31 C ATOM 302 CG PRO A 19 6.039 8.923 -7.839 1.00 74.53 C ATOM 303 CD PRO A 19 4.680 9.207 -7.261 1.00 42.31 C ATOM 0 HA PRO A 19 5.767 6.409 -6.234 1.00 22.32 H new ATOM 0 HB2 PRO A 19 7.286 9.053 -6.099 1.00 32.31 H new ATOM 0 HB3 PRO A 19 7.628 7.673 -7.123 1.00 32.31 H new ATOM 0 HG2 PRO A 19 6.516 9.839 -8.188 1.00 74.53 H new ATOM 0 HG3 PRO A 19 5.968 8.254 -8.697 1.00 74.53 H new ATOM 0 HD2 PRO A 19 4.633 10.198 -6.809 1.00 42.31 H new ATOM 0 HD3 PRO A 19 3.902 9.167 -8.023 1.00 42.31 H new ATOM 311 N GLY A 20 5.589 8.390 -3.693 1.00 71.25 N ATOM 312 CA GLY A 20 5.817 8.443 -2.249 1.00 22.23 C ATOM 313 C GLY A 20 5.299 7.208 -1.516 1.00 74.02 C ATOM 314 O GLY A 20 5.726 6.912 -0.394 1.00 21.13 O ATOM 0 H GLY A 20 4.981 9.125 -4.053 1.00 71.25 H new ATOM 0 HA2 GLY A 20 6.885 8.550 -2.059 1.00 22.23 H new ATOM 0 HA3 GLY A 20 5.331 9.330 -1.843 1.00 22.23 H new ATOM 318 N VAL A 21 4.373 6.486 -2.153 1.00 61.35 N ATOM 319 CA VAL A 21 3.828 5.245 -1.596 1.00 15.15 C ATOM 320 C VAL A 21 4.939 4.215 -1.328 1.00 50.12 C ATOM 321 O VAL A 21 4.841 3.416 -0.397 1.00 52.25 O ATOM 322 CB VAL A 21 2.758 4.631 -2.540 1.00 62.52 C ATOM 323 CG1 VAL A 21 2.247 3.295 -2.007 1.00 71.53 C ATOM 324 CG2 VAL A 21 1.600 5.607 -2.736 1.00 32.12 C ATOM 0 H VAL A 21 3.983 6.742 -3.060 1.00 61.35 H new ATOM 0 HA VAL A 21 3.355 5.499 -0.647 1.00 15.15 H new ATOM 0 HB VAL A 21 3.229 4.446 -3.505 1.00 62.52 H new ATOM 0 HG11 VAL A 21 1.500 2.892 -2.691 1.00 71.53 H new ATOM 0 HG12 VAL A 21 3.078 2.595 -1.924 1.00 71.53 H new ATOM 0 HG13 VAL A 21 1.798 3.443 -1.025 1.00 71.53 H new ATOM 0 HG21 VAL A 21 0.858 5.163 -3.400 1.00 32.12 H new ATOM 0 HG22 VAL A 21 1.140 5.824 -1.772 1.00 32.12 H new ATOM 0 HG23 VAL A 21 1.974 6.531 -3.176 1.00 32.12 H new ATOM 334 N ALA A 22 6.004 4.253 -2.133 1.00 60.21 N ATOM 335 CA ALA A 22 7.150 3.354 -1.949 1.00 64.41 C ATOM 336 C ALA A 22 7.698 3.429 -0.513 1.00 30.34 C ATOM 337 O ALA A 22 7.898 2.406 0.142 1.00 62.23 O ATOM 338 CB ALA A 22 8.248 3.686 -2.957 1.00 45.35 C ATOM 0 H ALA A 22 6.098 4.896 -2.919 1.00 60.21 H new ATOM 0 HA ALA A 22 6.808 2.333 -2.121 1.00 64.41 H new ATOM 0 HB1 ALA A 22 9.092 3.012 -2.810 1.00 45.35 H new ATOM 0 HB2 ALA A 22 7.861 3.567 -3.969 1.00 45.35 H new ATOM 0 HB3 ALA A 22 8.576 4.715 -2.812 1.00 45.35 H new ATOM 344 N GLY A 23 7.923 4.652 -0.028 1.00 31.22 N ATOM 345 CA GLY A 23 8.389 4.846 1.340 1.00 64.31 C ATOM 346 C GLY A 23 7.358 4.408 2.379 1.00 75.54 C ATOM 347 O GLY A 23 7.703 3.786 3.385 1.00 35.21 O ATOM 0 H GLY A 23 7.791 5.513 -0.559 1.00 31.22 H new ATOM 0 HA2 GLY A 23 9.311 4.284 1.489 1.00 64.31 H new ATOM 0 HA3 GLY A 23 8.629 5.898 1.493 1.00 64.31 H new ATOM 351 N VAL A 24 6.087 4.726 2.124 1.00 21.14 N ATOM 352 CA VAL A 24 4.991 4.357 3.031 1.00 24.31 C ATOM 353 C VAL A 24 4.908 2.835 3.224 1.00 32.04 C ATOM 354 O VAL A 24 4.841 2.341 4.351 1.00 61.23 O ATOM 355 CB VAL A 24 3.626 4.868 2.505 1.00 24.21 C ATOM 356 CG1 VAL A 24 2.504 4.551 3.495 1.00 74.24 C ATOM 357 CG2 VAL A 24 3.688 6.364 2.209 1.00 70.44 C ATOM 0 H VAL A 24 5.788 5.240 1.295 1.00 21.14 H new ATOM 0 HA VAL A 24 5.209 4.829 3.989 1.00 24.31 H new ATOM 0 HB VAL A 24 3.405 4.347 1.573 1.00 24.21 H new ATOM 0 HG11 VAL A 24 1.557 4.920 3.102 1.00 74.24 H new ATOM 0 HG12 VAL A 24 2.441 3.473 3.640 1.00 74.24 H new ATOM 0 HG13 VAL A 24 2.714 5.034 4.449 1.00 74.24 H new ATOM 0 HG21 VAL A 24 2.720 6.702 1.841 1.00 70.44 H new ATOM 0 HG22 VAL A 24 3.939 6.905 3.121 1.00 70.44 H new ATOM 0 HG23 VAL A 24 4.450 6.554 1.453 1.00 70.44 H new ATOM 367 N LEU A 25 4.912 2.099 2.114 1.00 62.33 N ATOM 368 CA LEU A 25 4.862 0.636 2.157 1.00 45.34 C ATOM 369 C LEU A 25 6.015 0.065 2.994 1.00 51.43 C ATOM 370 O LEU A 25 5.792 -0.721 3.914 1.00 25.22 O ATOM 371 CB LEU A 25 4.895 0.052 0.737 1.00 52.55 C ATOM 372 CG LEU A 25 3.700 0.429 -0.154 1.00 20.21 C ATOM 373 CD1 LEU A 25 3.830 -0.211 -1.531 1.00 74.12 C ATOM 374 CD2 LEU A 25 2.383 0.030 0.508 1.00 12.21 C ATOM 0 H LEU A 25 4.949 2.491 1.173 1.00 62.33 H new ATOM 0 HA LEU A 25 3.924 0.349 2.632 1.00 45.34 H new ATOM 0 HB2 LEU A 25 5.811 0.382 0.247 1.00 52.55 H new ATOM 0 HB3 LEU A 25 4.945 -1.034 0.809 1.00 52.55 H new ATOM 0 HG LEU A 25 3.700 1.511 -0.282 1.00 20.21 H new ATOM 0 HD11 LEU A 25 2.974 0.069 -2.145 1.00 74.12 H new ATOM 0 HD12 LEU A 25 4.747 0.135 -2.008 1.00 74.12 H new ATOM 0 HD13 LEU A 25 3.862 -1.296 -1.427 1.00 74.12 H new ATOM 0 HD21 LEU A 25 1.552 0.306 -0.140 1.00 12.21 H new ATOM 0 HD22 LEU A 25 2.371 -1.047 0.674 1.00 12.21 H new ATOM 0 HD23 LEU A 25 2.285 0.546 1.463 1.00 12.21 H new ATOM 386 N ARG A 26 7.244 0.481 2.692 1.00 55.40 N ATOM 387 CA ARG A 26 8.414 0.030 3.455 1.00 35.43 C ATOM 388 C ARG A 26 8.273 0.405 4.941 1.00 11.01 C ATOM 389 O ARG A 26 8.654 -0.362 5.829 1.00 11.00 O ATOM 390 CB ARG A 26 9.701 0.635 2.880 1.00 42.41 C ATOM 391 CG ARG A 26 9.877 0.394 1.384 1.00 51.41 C ATOM 392 CD ARG A 26 11.201 0.951 0.868 1.00 63.34 C ATOM 393 NE ARG A 26 12.343 0.121 1.257 1.00 32.34 N ATOM 394 CZ ARG A 26 13.470 0.584 1.726 1.00 61.44 C ATOM 395 NH1 ARG A 26 13.591 1.834 2.036 1.00 1.11 N ATOM 396 NH2 ARG A 26 14.464 -0.222 1.923 1.00 62.41 N ATOM 0 H ARG A 26 7.458 1.125 1.931 1.00 55.40 H new ATOM 0 HA ARG A 26 8.471 -1.055 3.374 1.00 35.43 H new ATOM 0 HB2 ARG A 26 9.703 1.709 3.069 1.00 42.41 H new ATOM 0 HB3 ARG A 26 10.557 0.216 3.410 1.00 42.41 H new ATOM 0 HG2 ARG A 26 9.830 -0.676 1.181 1.00 51.41 H new ATOM 0 HG3 ARG A 26 9.053 0.858 0.842 1.00 51.41 H new ATOM 0 HD2 ARG A 26 11.162 1.025 -0.219 1.00 63.34 H new ATOM 0 HD3 ARG A 26 11.342 1.961 1.252 1.00 63.34 H new ATOM 0 HE ARG A 26 12.252 -0.890 1.154 1.00 32.34 H new ATOM 0 HH11 ARG A 26 12.801 2.468 1.915 1.00 1.11 H new ATOM 0 HH12 ARG A 26 14.476 2.185 2.402 1.00 1.11 H new ATOM 0 HH21 ARG A 26 14.365 -1.215 1.712 1.00 62.41 H new ATOM 0 HH22 ARG A 26 15.346 0.136 2.289 1.00 62.41 H new ATOM 410 N SER A 27 7.704 1.584 5.195 1.00 34.31 N ATOM 411 CA SER A 27 7.449 2.060 6.564 1.00 10.41 C ATOM 412 C SER A 27 6.482 1.134 7.320 1.00 43.15 C ATOM 413 O SER A 27 6.549 1.016 8.546 1.00 62.45 O ATOM 414 CB SER A 27 6.882 3.485 6.531 1.00 4.42 C ATOM 415 OG SER A 27 6.722 4.016 7.841 1.00 32.32 O ATOM 0 H SER A 27 7.407 2.235 4.467 1.00 34.31 H new ATOM 0 HA SER A 27 8.401 2.056 7.095 1.00 10.41 H new ATOM 0 HB2 SER A 27 7.548 4.129 5.956 1.00 4.42 H new ATOM 0 HB3 SER A 27 5.920 3.482 6.019 1.00 4.42 H new ATOM 0 HG SER A 27 6.361 4.925 7.784 1.00 32.32 H new ATOM 421 N TYR A 28 5.576 0.490 6.586 1.00 72.43 N ATOM 422 CA TYR A 28 4.609 -0.451 7.174 1.00 51.31 C ATOM 423 C TYR A 28 4.960 -1.922 6.858 1.00 12.41 C ATOM 424 O TYR A 28 4.074 -2.763 6.764 1.00 72.11 O ATOM 425 CB TYR A 28 3.187 -0.137 6.674 1.00 0.31 C ATOM 426 CG TYR A 28 2.585 1.140 7.245 1.00 44.14 C ATOM 427 CD1 TYR A 28 2.189 1.206 8.579 1.00 21.12 C ATOM 428 CD2 TYR A 28 2.393 2.267 6.451 1.00 52.20 C ATOM 429 CE1 TYR A 28 1.624 2.356 9.102 1.00 52.31 C ATOM 430 CE2 TYR A 28 1.832 3.421 6.969 1.00 73.44 C ATOM 431 CZ TYR A 28 1.450 3.460 8.293 1.00 23.02 C ATOM 432 OH TYR A 28 0.883 4.603 8.810 1.00 23.55 O ATOM 0 H TYR A 28 5.487 0.600 5.576 1.00 72.43 H new ATOM 0 HA TYR A 28 4.655 -0.324 8.256 1.00 51.31 H new ATOM 0 HB2 TYR A 28 3.206 -0.060 5.587 1.00 0.31 H new ATOM 0 HB3 TYR A 28 2.535 -0.974 6.923 1.00 0.31 H new ATOM 0 HD1 TYR A 28 2.325 0.345 9.216 1.00 21.12 H new ATOM 0 HD2 TYR A 28 2.687 2.240 5.412 1.00 52.20 H new ATOM 0 HE1 TYR A 28 1.321 2.389 10.138 1.00 52.31 H new ATOM 0 HE2 TYR A 28 1.694 4.287 6.339 1.00 73.44 H new ATOM 0 HH TYR A 28 0.210 4.360 9.480 1.00 23.55 H new ATOM 442 N ASN A 29 6.251 -2.224 6.692 1.00 65.14 N ATOM 443 CA ASN A 29 6.721 -3.614 6.486 1.00 22.24 C ATOM 444 C ASN A 29 6.260 -4.206 5.131 1.00 71.25 C ATOM 445 O ASN A 29 6.471 -5.387 4.846 1.00 50.14 O ATOM 446 CB ASN A 29 6.246 -4.518 7.642 1.00 23.13 C ATOM 447 CG ASN A 29 6.810 -5.930 7.572 1.00 63.02 C ATOM 448 OD1 ASN A 29 6.135 -6.898 7.912 1.00 61.53 O ATOM 449 ND2 ASN A 29 8.050 -6.064 7.145 1.00 2.44 N ATOM 0 H ASN A 29 6.998 -1.529 6.695 1.00 65.14 H new ATOM 0 HA ASN A 29 7.810 -3.578 6.470 1.00 22.24 H new ATOM 0 HB2 ASN A 29 6.535 -4.065 8.590 1.00 23.13 H new ATOM 0 HB3 ASN A 29 5.157 -4.568 7.631 1.00 23.13 H new ATOM 0 HD21 ASN A 29 8.473 -6.990 7.090 1.00 2.44 H new ATOM 0 HD22 ASN A 29 8.586 -5.241 6.869 1.00 2.44 H new ATOM 456 N LEU A 30 5.648 -3.385 4.290 1.00 31.21 N ATOM 457 CA LEU A 30 5.159 -3.834 2.981 1.00 44.13 C ATOM 458 C LEU A 30 6.212 -3.630 1.876 1.00 20.33 C ATOM 459 O LEU A 30 5.918 -3.772 0.691 1.00 33.21 O ATOM 460 CB LEU A 30 3.863 -3.086 2.633 1.00 24.53 C ATOM 461 CG LEU A 30 2.694 -3.325 3.608 1.00 4.25 C ATOM 462 CD1 LEU A 30 1.508 -2.421 3.277 1.00 43.05 C ATOM 463 CD2 LEU A 30 2.274 -4.794 3.589 1.00 1.32 C ATOM 0 H LEU A 30 5.475 -2.399 4.486 1.00 31.21 H new ATOM 0 HA LEU A 30 4.959 -4.904 3.041 1.00 44.13 H new ATOM 0 HB2 LEU A 30 4.076 -2.017 2.599 1.00 24.53 H new ATOM 0 HB3 LEU A 30 3.548 -3.381 1.632 1.00 24.53 H new ATOM 0 HG LEU A 30 3.035 -3.075 4.613 1.00 4.25 H new ATOM 0 HD11 LEU A 30 0.698 -2.611 3.981 1.00 43.05 H new ATOM 0 HD12 LEU A 30 1.814 -1.377 3.350 1.00 43.05 H new ATOM 0 HD13 LEU A 30 1.164 -2.628 2.264 1.00 43.05 H new ATOM 0 HD21 LEU A 30 1.447 -4.945 4.283 1.00 1.32 H new ATOM 0 HD22 LEU A 30 1.958 -5.069 2.583 1.00 1.32 H new ATOM 0 HD23 LEU A 30 3.117 -5.417 3.887 1.00 1.32 H new ATOM 475 N GLY A 31 7.448 -3.324 2.268 1.00 5.42 N ATOM 476 CA GLY A 31 8.522 -3.137 1.293 1.00 10.22 C ATOM 477 C GLY A 31 8.953 -4.436 0.606 1.00 41.44 C ATOM 478 O GLY A 31 9.644 -4.412 -0.414 1.00 14.20 O ATOM 0 H GLY A 31 7.729 -3.202 3.241 1.00 5.42 H new ATOM 0 HA2 GLY A 31 8.195 -2.425 0.535 1.00 10.22 H new ATOM 0 HA3 GLY A 31 9.384 -2.696 1.793 1.00 10.22 H new ATOM 482 N CYS A 32 8.544 -5.573 1.163 1.00 34.24 N ATOM 483 CA CYS A 32 8.910 -6.885 0.608 1.00 52.51 C ATOM 484 C CYS A 32 7.845 -7.428 -0.363 1.00 73.15 C ATOM 485 O CYS A 32 7.904 -8.591 -0.769 1.00 22.24 O ATOM 486 CB CYS A 32 9.145 -7.889 1.745 1.00 12.31 C ATOM 487 SG CYS A 32 10.491 -7.431 2.865 1.00 5.44 S ATOM 0 H CYS A 32 7.959 -5.618 1.998 1.00 34.24 H new ATOM 0 HA CYS A 32 9.830 -6.751 0.038 1.00 52.51 H new ATOM 0 HB2 CYS A 32 8.225 -7.991 2.321 1.00 12.31 H new ATOM 0 HB3 CYS A 32 9.361 -8.866 1.314 1.00 12.31 H new ATOM 0 HG CYS A 32 10.612 -8.335 3.791 1.00 5.44 H new ATOM 493 N ILE A 33 6.885 -6.588 -0.753 1.00 44.51 N ATOM 494 CA ILE A 33 5.823 -7.002 -1.686 1.00 65.12 C ATOM 495 C ILE A 33 6.387 -7.564 -3.004 1.00 23.04 C ATOM 496 O ILE A 33 5.818 -8.490 -3.585 1.00 15.44 O ATOM 497 CB ILE A 33 4.853 -5.838 -2.008 1.00 41.33 C ATOM 498 CG1 ILE A 33 5.633 -4.587 -2.460 1.00 74.43 C ATOM 499 CG2 ILE A 33 3.963 -5.534 -0.802 1.00 51.44 C ATOM 500 CD1 ILE A 33 4.752 -3.421 -2.861 1.00 32.10 C ATOM 0 H ILE A 33 6.816 -5.619 -0.441 1.00 44.51 H new ATOM 0 HA ILE A 33 5.276 -7.794 -1.175 1.00 65.12 H new ATOM 0 HB ILE A 33 4.208 -6.141 -2.833 1.00 41.33 H new ATOM 0 HG12 ILE A 33 6.291 -4.270 -1.651 1.00 74.43 H new ATOM 0 HG13 ILE A 33 6.270 -4.854 -3.303 1.00 74.43 H new ATOM 0 HG21 ILE A 33 3.288 -4.714 -1.046 1.00 51.44 H new ATOM 0 HG22 ILE A 33 3.381 -6.420 -0.547 1.00 51.44 H new ATOM 0 HG23 ILE A 33 4.585 -5.252 0.047 1.00 51.44 H new ATOM 0 HD11 ILE A 33 5.376 -2.581 -3.166 1.00 32.10 H new ATOM 0 HD12 ILE A 33 4.112 -3.718 -3.692 1.00 32.10 H new ATOM 0 HD13 ILE A 33 4.133 -3.124 -2.014 1.00 32.10 H new ATOM 512 N GLY A 34 7.502 -7.002 -3.469 1.00 53.52 N ATOM 513 CA GLY A 34 8.136 -7.487 -4.693 1.00 24.34 C ATOM 514 C GLY A 34 8.729 -8.887 -4.548 1.00 21.22 C ATOM 515 O GLY A 34 8.892 -9.607 -5.533 1.00 45.51 O ATOM 0 H GLY A 34 7.980 -6.219 -3.022 1.00 53.52 H new ATOM 0 HA2 GLY A 34 7.401 -7.492 -5.498 1.00 24.34 H new ATOM 0 HA3 GLY A 34 8.925 -6.794 -4.986 1.00 24.34 H new ATOM 519 N CYS A 35 9.050 -9.271 -3.312 1.00 45.31 N ATOM 520 CA CYS A 35 9.608 -10.599 -3.029 1.00 55.02 C ATOM 521 C CYS A 35 8.495 -11.643 -2.838 1.00 3.24 C ATOM 522 O CYS A 35 8.522 -12.713 -3.448 1.00 33.21 O ATOM 523 CB CYS A 35 10.491 -10.548 -1.776 1.00 71.23 C ATOM 524 SG CYS A 35 11.871 -9.380 -1.886 1.00 62.31 S ATOM 0 H CYS A 35 8.934 -8.682 -2.488 1.00 45.31 H new ATOM 0 HA CYS A 35 10.213 -10.896 -3.886 1.00 55.02 H new ATOM 0 HB2 CYS A 35 9.872 -10.281 -0.920 1.00 71.23 H new ATOM 0 HB3 CYS A 35 10.888 -11.545 -1.584 1.00 71.23 H new ATOM 0 HG CYS A 35 12.554 -9.410 -0.780 1.00 62.31 H new ATOM 530 N MET A 36 7.515 -11.321 -1.991 1.00 34.22 N ATOM 531 CA MET A 36 6.389 -12.228 -1.718 1.00 34.04 C ATOM 532 C MET A 36 5.441 -12.349 -2.924 1.00 65.13 C ATOM 533 O MET A 36 4.693 -13.321 -3.041 1.00 50.02 O ATOM 534 CB MET A 36 5.606 -11.756 -0.480 1.00 55.34 C ATOM 535 CG MET A 36 4.992 -10.369 -0.620 1.00 22.40 C ATOM 536 SD MET A 36 4.123 -9.834 0.870 1.00 32.34 S ATOM 537 CE MET A 36 2.846 -11.088 0.996 1.00 14.33 C ATOM 0 H MET A 36 7.475 -10.439 -1.480 1.00 34.22 H new ATOM 0 HA MET A 36 6.809 -13.215 -1.525 1.00 34.04 H new ATOM 0 HB2 MET A 36 4.812 -12.473 -0.271 1.00 55.34 H new ATOM 0 HB3 MET A 36 6.274 -11.760 0.381 1.00 55.34 H new ATOM 0 HG2 MET A 36 5.778 -9.651 -0.854 1.00 22.40 H new ATOM 0 HG3 MET A 36 4.298 -10.367 -1.460 1.00 22.40 H new ATOM 0 HE1 MET A 36 1.909 -10.624 1.304 1.00 14.33 H new ATOM 0 HE2 MET A 36 2.711 -11.569 0.027 1.00 14.33 H new ATOM 0 HE3 MET A 36 3.141 -11.835 1.734 1.00 14.33 H new ATOM 547 N GLY A 37 5.475 -11.361 -3.818 1.00 24.03 N ATOM 548 CA GLY A 37 4.613 -11.380 -4.998 1.00 52.24 C ATOM 549 C GLY A 37 3.256 -10.730 -4.748 1.00 20.50 C ATOM 550 O GLY A 37 2.218 -11.394 -4.798 1.00 54.33 O ATOM 0 H GLY A 37 6.084 -10.546 -3.749 1.00 24.03 H new ATOM 0 HA2 GLY A 37 5.113 -10.863 -5.817 1.00 52.24 H new ATOM 0 HA3 GLY A 37 4.464 -12.412 -5.317 1.00 52.24 H new ATOM 554 N ALA A 38 3.256 -9.422 -4.500 1.00 2.20 N ATOM 555 CA ALA A 38 2.020 -8.707 -4.145 1.00 11.12 C ATOM 556 C ALA A 38 1.754 -7.475 -5.032 1.00 31.14 C ATOM 557 O ALA A 38 0.854 -6.689 -4.747 1.00 52.32 O ATOM 558 CB ALA A 38 2.061 -8.302 -2.673 1.00 32.41 C ATOM 0 H ALA A 38 4.089 -8.834 -4.536 1.00 2.20 H new ATOM 0 HA ALA A 38 1.194 -9.396 -4.320 1.00 11.12 H new ATOM 0 HB1 ALA A 38 1.143 -7.773 -2.416 1.00 32.41 H new ATOM 0 HB2 ALA A 38 2.152 -9.194 -2.053 1.00 32.41 H new ATOM 0 HB3 ALA A 38 2.917 -7.650 -2.499 1.00 32.41 H new ATOM 564 N GLN A 39 2.511 -7.314 -6.121 1.00 52.51 N ATOM 565 CA GLN A 39 2.308 -6.171 -7.034 1.00 44.53 C ATOM 566 C GLN A 39 0.879 -6.144 -7.606 1.00 31.33 C ATOM 567 O GLN A 39 0.251 -5.089 -7.701 1.00 11.33 O ATOM 568 CB GLN A 39 3.334 -6.198 -8.180 1.00 31.32 C ATOM 569 CG GLN A 39 4.749 -5.804 -7.759 1.00 2.44 C ATOM 570 CD GLN A 39 4.845 -4.358 -7.297 1.00 20.03 C ATOM 571 OE1 GLN A 39 5.083 -3.453 -8.086 1.00 33.13 O ATOM 572 NE2 GLN A 39 4.652 -4.127 -6.013 1.00 73.33 N ATOM 0 H GLN A 39 3.262 -7.948 -6.395 1.00 52.51 H new ATOM 0 HA GLN A 39 2.453 -5.263 -6.449 1.00 44.53 H new ATOM 0 HB2 GLN A 39 3.359 -7.200 -8.607 1.00 31.32 H new ATOM 0 HB3 GLN A 39 3.000 -5.524 -8.969 1.00 31.32 H new ATOM 0 HG2 GLN A 39 5.080 -6.461 -6.954 1.00 2.44 H new ATOM 0 HG3 GLN A 39 5.429 -5.959 -8.597 1.00 2.44 H new ATOM 0 HE21 GLN A 39 4.455 -4.902 -5.379 1.00 73.33 H new ATOM 0 HE22 GLN A 39 4.699 -3.174 -5.654 1.00 73.33 H new ATOM 581 N ASN A 40 0.367 -7.319 -7.968 1.00 74.05 N ATOM 582 CA ASN A 40 -0.980 -7.442 -8.541 1.00 12.50 C ATOM 583 C ASN A 40 -2.027 -7.731 -7.451 1.00 43.33 C ATOM 584 O ASN A 40 -3.169 -8.091 -7.751 1.00 21.11 O ATOM 585 CB ASN A 40 -1.002 -8.562 -9.589 1.00 2.44 C ATOM 586 CG ASN A 40 0.102 -8.407 -10.617 1.00 24.33 C ATOM 587 OD1 ASN A 40 -0.063 -7.745 -11.637 1.00 10.24 O ATOM 588 ND2 ASN A 40 1.239 -9.019 -10.355 1.00 14.24 N ATOM 0 H ASN A 40 0.864 -8.205 -7.876 1.00 74.05 H new ATOM 0 HA ASN A 40 -1.233 -6.493 -9.013 1.00 12.50 H new ATOM 0 HB2 ASN A 40 -0.899 -9.526 -9.090 1.00 2.44 H new ATOM 0 HB3 ASN A 40 -1.968 -8.566 -10.094 1.00 2.44 H new ATOM 0 HD21 ASN A 40 2.018 -8.951 -11.010 1.00 14.24 H new ATOM 0 HD22 ASN A 40 1.341 -9.561 -9.497 1.00 14.24 H new ATOM 595 N GLU A 41 -1.634 -7.558 -6.192 1.00 74.21 N ATOM 596 CA GLU A 41 -2.509 -7.844 -5.049 1.00 33.02 C ATOM 597 C GLU A 41 -2.997 -6.539 -4.389 1.00 24.41 C ATOM 598 O GLU A 41 -2.307 -5.519 -4.433 1.00 24.53 O ATOM 599 CB GLU A 41 -1.755 -8.720 -4.036 1.00 21.24 C ATOM 600 CG GLU A 41 -2.620 -9.249 -2.897 1.00 12.34 C ATOM 601 CD GLU A 41 -1.891 -10.257 -2.022 1.00 22.51 C ATOM 602 OE1 GLU A 41 -1.612 -11.377 -2.506 1.00 13.15 O ATOM 603 OE2 GLU A 41 -1.602 -9.939 -0.850 1.00 43.23 O ATOM 0 H GLU A 41 -0.708 -7.218 -5.932 1.00 74.21 H new ATOM 0 HA GLU A 41 -3.389 -8.382 -5.401 1.00 33.02 H new ATOM 0 HB2 GLU A 41 -1.312 -9.565 -4.563 1.00 21.24 H new ATOM 0 HB3 GLU A 41 -0.933 -8.142 -3.614 1.00 21.24 H new ATOM 0 HG2 GLU A 41 -2.952 -8.413 -2.281 1.00 12.34 H new ATOM 0 HG3 GLU A 41 -3.514 -9.714 -3.312 1.00 12.34 H new ATOM 610 N SER A 42 -4.190 -6.571 -3.795 1.00 1.22 N ATOM 611 CA SER A 42 -4.784 -5.370 -3.182 1.00 3.31 C ATOM 612 C SER A 42 -4.095 -4.990 -1.861 1.00 24.32 C ATOM 613 O SER A 42 -3.598 -5.852 -1.135 1.00 53.13 O ATOM 614 CB SER A 42 -6.282 -5.578 -2.933 1.00 61.41 C ATOM 615 OG SER A 42 -6.977 -5.869 -4.137 1.00 70.34 O ATOM 0 H SER A 42 -4.767 -7.409 -3.722 1.00 1.22 H new ATOM 0 HA SER A 42 -4.637 -4.551 -3.887 1.00 3.31 H new ATOM 0 HB2 SER A 42 -6.424 -6.394 -2.224 1.00 61.41 H new ATOM 0 HB3 SER A 42 -6.703 -4.682 -2.476 1.00 61.41 H new ATOM 0 HG SER A 42 -7.405 -5.054 -4.473 1.00 70.34 H new ATOM 621 N LEU A 43 -4.100 -3.691 -1.551 1.00 42.25 N ATOM 622 CA LEU A 43 -3.459 -3.160 -0.335 1.00 65.14 C ATOM 623 C LEU A 43 -3.889 -3.907 0.940 1.00 55.52 C ATOM 624 O LEU A 43 -3.046 -4.313 1.745 1.00 33.42 O ATOM 625 CB LEU A 43 -3.780 -1.663 -0.185 1.00 24.14 C ATOM 626 CG LEU A 43 -3.176 -0.743 -1.261 1.00 14.44 C ATOM 627 CD1 LEU A 43 -3.678 0.689 -1.086 1.00 34.30 C ATOM 628 CD2 LEU A 43 -1.648 -0.787 -1.209 1.00 2.44 C ATOM 0 H LEU A 43 -4.544 -2.978 -2.129 1.00 42.25 H new ATOM 0 HA LEU A 43 -2.385 -3.308 -0.452 1.00 65.14 H new ATOM 0 HB2 LEU A 43 -4.863 -1.539 -0.193 1.00 24.14 H new ATOM 0 HB3 LEU A 43 -3.428 -1.330 0.791 1.00 24.14 H new ATOM 0 HG LEU A 43 -3.497 -1.102 -2.239 1.00 14.44 H new ATOM 0 HD11 LEU A 43 -3.240 1.325 -1.856 1.00 34.30 H new ATOM 0 HD12 LEU A 43 -4.764 0.707 -1.175 1.00 34.30 H new ATOM 0 HD13 LEU A 43 -3.388 1.058 -0.102 1.00 34.30 H new ATOM 0 HD21 LEU A 43 -1.239 -0.130 -1.977 1.00 2.44 H new ATOM 0 HD22 LEU A 43 -1.308 -0.455 -0.228 1.00 2.44 H new ATOM 0 HD23 LEU A 43 -1.307 -1.807 -1.385 1.00 2.44 H new ATOM 640 N GLU A 44 -5.198 -4.090 1.123 1.00 4.41 N ATOM 641 CA GLU A 44 -5.719 -4.754 2.326 1.00 51.45 C ATOM 642 C GLU A 44 -5.180 -6.183 2.472 1.00 1.44 C ATOM 643 O GLU A 44 -4.825 -6.610 3.570 1.00 4.03 O ATOM 644 CB GLU A 44 -7.255 -4.772 2.324 1.00 31.02 C ATOM 645 CG GLU A 44 -7.854 -5.540 3.502 1.00 44.55 C ATOM 646 CD GLU A 44 -9.353 -5.341 3.653 1.00 75.44 C ATOM 647 OE1 GLU A 44 -10.130 -6.053 2.982 1.00 71.45 O ATOM 648 OE2 GLU A 44 -9.764 -4.480 4.461 1.00 13.31 O ATOM 0 H GLU A 44 -5.914 -3.791 0.461 1.00 4.41 H new ATOM 0 HA GLU A 44 -5.372 -4.174 3.181 1.00 51.45 H new ATOM 0 HB2 GLU A 44 -7.623 -3.746 2.344 1.00 31.02 H new ATOM 0 HB3 GLU A 44 -7.605 -5.218 1.393 1.00 31.02 H new ATOM 0 HG2 GLU A 44 -7.647 -6.603 3.376 1.00 44.55 H new ATOM 0 HG3 GLU A 44 -7.359 -5.225 4.421 1.00 44.55 H new ATOM 655 N GLN A 45 -5.105 -6.909 1.360 1.00 41.45 N ATOM 656 CA GLN A 45 -4.649 -8.304 1.380 1.00 64.23 C ATOM 657 C GLN A 45 -3.208 -8.413 1.909 1.00 14.51 C ATOM 658 O GLN A 45 -2.951 -9.108 2.896 1.00 4.42 O ATOM 659 CB GLN A 45 -4.745 -8.912 -0.024 1.00 21.45 C ATOM 660 CG GLN A 45 -6.133 -8.812 -0.653 1.00 42.30 C ATOM 661 CD GLN A 45 -6.201 -9.448 -2.033 1.00 43.23 C ATOM 662 OE1 GLN A 45 -5.504 -10.417 -2.322 1.00 40.32 O ATOM 663 NE2 GLN A 45 -7.027 -8.902 -2.901 1.00 2.30 N ATOM 0 H GLN A 45 -5.352 -6.560 0.434 1.00 41.45 H new ATOM 0 HA GLN A 45 -5.298 -8.861 2.055 1.00 64.23 H new ATOM 0 HB2 GLN A 45 -4.026 -8.413 -0.674 1.00 21.45 H new ATOM 0 HB3 GLN A 45 -4.455 -9.962 0.026 1.00 21.45 H new ATOM 0 HG2 GLN A 45 -6.859 -9.295 0.001 1.00 42.30 H new ATOM 0 HG3 GLN A 45 -6.419 -7.763 -0.727 1.00 42.30 H new ATOM 0 HE21 GLN A 45 -7.593 -8.098 -2.630 1.00 2.30 H new ATOM 0 HE22 GLN A 45 -7.101 -9.284 -3.844 1.00 2.30 H new ATOM 672 N GLY A 46 -2.280 -7.709 1.257 1.00 4.14 N ATOM 673 CA GLY A 46 -0.889 -7.695 1.704 1.00 65.11 C ATOM 674 C GLY A 46 -0.730 -7.202 3.143 1.00 12.43 C ATOM 675 O GLY A 46 0.111 -7.705 3.897 1.00 63.21 O ATOM 0 H GLY A 46 -2.465 -7.147 0.426 1.00 4.14 H new ATOM 0 HA2 GLY A 46 -0.477 -8.701 1.622 1.00 65.11 H new ATOM 0 HA3 GLY A 46 -0.306 -7.057 1.040 1.00 65.11 H new ATOM 679 N ALA A 47 -1.538 -6.211 3.526 1.00 44.34 N ATOM 680 CA ALA A 47 -1.543 -5.703 4.902 1.00 24.05 C ATOM 681 C ALA A 47 -1.962 -6.800 5.897 1.00 63.13 C ATOM 682 O ALA A 47 -1.284 -7.040 6.897 1.00 24.34 O ATOM 683 CB ALA A 47 -2.468 -4.496 5.017 1.00 53.12 C ATOM 0 H ALA A 47 -2.197 -5.744 2.904 1.00 44.34 H new ATOM 0 HA ALA A 47 -0.529 -5.393 5.153 1.00 24.05 H new ATOM 0 HB1 ALA A 47 -2.462 -4.129 6.043 1.00 53.12 H new ATOM 0 HB2 ALA A 47 -2.122 -3.708 4.348 1.00 53.12 H new ATOM 0 HB3 ALA A 47 -3.482 -4.787 4.742 1.00 53.12 H new ATOM 689 N ASN A 48 -3.078 -7.473 5.605 1.00 32.21 N ATOM 690 CA ASN A 48 -3.569 -8.576 6.445 1.00 33.42 C ATOM 691 C ASN A 48 -2.539 -9.716 6.530 1.00 20.14 C ATOM 692 O ASN A 48 -2.361 -10.327 7.586 1.00 0.43 O ATOM 693 CB ASN A 48 -4.906 -9.116 5.911 1.00 65.13 C ATOM 694 CG ASN A 48 -6.083 -8.187 6.177 1.00 30.34 C ATOM 695 OD1 ASN A 48 -7.206 -8.640 6.378 1.00 41.01 O ATOM 696 ND2 ASN A 48 -5.849 -6.890 6.178 1.00 33.02 N ATOM 0 H ASN A 48 -3.662 -7.275 4.792 1.00 32.21 H new ATOM 0 HA ASN A 48 -3.724 -8.178 7.448 1.00 33.42 H new ATOM 0 HB2 ASN A 48 -4.819 -9.282 4.837 1.00 65.13 H new ATOM 0 HB3 ASN A 48 -5.107 -10.085 6.368 1.00 65.13 H new ATOM 0 HD21 ASN A 48 -6.611 -6.234 6.349 1.00 33.02 H new ATOM 0 HD22 ASN A 48 -4.905 -6.542 6.008 1.00 33.02 H new ATOM 703 N ALA A 49 -1.860 -9.992 5.416 1.00 4.44 N ATOM 704 CA ALA A 49 -0.804 -11.013 5.378 1.00 12.34 C ATOM 705 C ALA A 49 0.341 -10.679 6.351 1.00 43.31 C ATOM 706 O ALA A 49 0.904 -11.562 6.997 1.00 2.12 O ATOM 707 CB ALA A 49 -0.272 -11.162 3.956 1.00 22.42 C ATOM 0 H ALA A 49 -2.021 -9.523 4.524 1.00 4.44 H new ATOM 0 HA ALA A 49 -1.239 -11.960 5.697 1.00 12.34 H new ATOM 0 HB1 ALA A 49 0.510 -11.921 3.938 1.00 22.42 H new ATOM 0 HB2 ALA A 49 -1.084 -11.462 3.293 1.00 22.42 H new ATOM 0 HB3 ALA A 49 0.138 -10.210 3.619 1.00 22.42 H new ATOM 713 N HIS A 50 0.675 -9.392 6.456 1.00 62.13 N ATOM 714 CA HIS A 50 1.723 -8.934 7.380 1.00 54.22 C ATOM 715 C HIS A 50 1.146 -8.552 8.759 1.00 61.23 C ATOM 716 O HIS A 50 1.868 -8.043 9.622 1.00 73.20 O ATOM 717 CB HIS A 50 2.476 -7.736 6.778 1.00 60.03 C ATOM 718 CG HIS A 50 3.340 -8.083 5.598 1.00 2.33 C ATOM 719 ND1 HIS A 50 4.694 -7.823 5.554 1.00 44.13 N ATOM 720 CD2 HIS A 50 3.039 -8.665 4.413 1.00 70.42 C ATOM 721 CE1 HIS A 50 5.184 -8.227 4.401 1.00 11.52 C ATOM 722 NE2 HIS A 50 4.203 -8.744 3.687 1.00 23.33 N ATOM 0 H HIS A 50 0.238 -8.646 5.915 1.00 62.13 H new ATOM 0 HA HIS A 50 2.415 -9.763 7.526 1.00 54.22 H new ATOM 0 HB2 HIS A 50 1.751 -6.981 6.474 1.00 60.03 H new ATOM 0 HB3 HIS A 50 3.099 -7.287 7.551 1.00 60.03 H new ATOM 0 HD2 HIS A 50 2.064 -9.005 4.097 1.00 70.42 H new ATOM 0 HE1 HIS A 50 6.216 -8.148 4.092 1.00 11.52 H new ATOM 0 HE2 HIS A 50 4.293 -9.138 2.750 1.00 23.33 H new ATOM 731 N GLY A 51 -0.150 -8.810 8.962 1.00 1.30 N ATOM 732 CA GLY A 51 -0.809 -8.475 10.226 1.00 4.42 C ATOM 733 C GLY A 51 -0.845 -6.974 10.504 1.00 52.33 C ATOM 734 O GLY A 51 -0.428 -6.522 11.571 1.00 63.22 O ATOM 0 H GLY A 51 -0.760 -9.247 8.271 1.00 1.30 H new ATOM 0 HA2 GLY A 51 -1.829 -8.860 10.210 1.00 4.42 H new ATOM 0 HA3 GLY A 51 -0.291 -8.977 11.043 1.00 4.42 H new ATOM 738 N LEU A 52 -1.353 -6.201 9.547 1.00 13.35 N ATOM 739 CA LEU A 52 -1.361 -4.734 9.647 1.00 42.14 C ATOM 740 C LEU A 52 -2.774 -4.150 9.514 1.00 55.35 C ATOM 741 O LEU A 52 -3.637 -4.723 8.847 1.00 51.42 O ATOM 742 CB LEU A 52 -0.481 -4.144 8.542 1.00 25.44 C ATOM 743 CG LEU A 52 0.964 -4.660 8.503 1.00 14.00 C ATOM 744 CD1 LEU A 52 1.649 -4.227 7.214 1.00 40.31 C ATOM 745 CD2 LEU A 52 1.749 -4.180 9.721 1.00 42.14 C ATOM 0 H LEU A 52 -1.767 -6.563 8.688 1.00 13.35 H new ATOM 0 HA LEU A 52 -0.978 -4.473 10.634 1.00 42.14 H new ATOM 0 HB2 LEU A 52 -0.949 -4.351 7.579 1.00 25.44 H new ATOM 0 HB3 LEU A 52 -0.459 -3.061 8.659 1.00 25.44 H new ATOM 0 HG LEU A 52 0.938 -5.749 8.530 1.00 14.00 H new ATOM 0 HD11 LEU A 52 2.673 -4.601 7.203 1.00 40.31 H new ATOM 0 HD12 LEU A 52 1.106 -4.631 6.360 1.00 40.31 H new ATOM 0 HD13 LEU A 52 1.660 -3.139 7.156 1.00 40.31 H new ATOM 0 HD21 LEU A 52 2.769 -4.560 9.669 1.00 42.14 H new ATOM 0 HD22 LEU A 52 1.767 -3.090 9.736 1.00 42.14 H new ATOM 0 HD23 LEU A 52 1.271 -4.547 10.629 1.00 42.14 H new ATOM 757 N ASN A 53 -2.995 -2.996 10.142 1.00 20.44 N ATOM 758 CA ASN A 53 -4.250 -2.256 9.983 1.00 1.21 C ATOM 759 C ASN A 53 -4.213 -1.409 8.698 1.00 12.11 C ATOM 760 O ASN A 53 -3.600 -0.338 8.665 1.00 65.33 O ATOM 761 CB ASN A 53 -4.504 -1.360 11.206 1.00 2.22 C ATOM 762 CG ASN A 53 -5.756 -0.507 11.065 1.00 3.33 C ATOM 763 OD1 ASN A 53 -6.712 -0.887 10.396 1.00 0.14 O ATOM 764 ND2 ASN A 53 -5.758 0.653 11.688 1.00 44.42 N ATOM 0 H ASN A 53 -2.322 -2.551 10.766 1.00 20.44 H new ATOM 0 HA ASN A 53 -5.067 -2.973 9.904 1.00 1.21 H new ATOM 0 HB2 ASN A 53 -4.594 -1.984 12.095 1.00 2.22 H new ATOM 0 HB3 ASN A 53 -3.643 -0.710 11.359 1.00 2.22 H new ATOM 0 HD21 ASN A 53 -6.571 1.266 11.623 1.00 44.42 H new ATOM 0 HD22 ASN A 53 -4.947 0.939 12.236 1.00 44.42 H new ATOM 771 N VAL A 54 -4.869 -1.897 7.646 1.00 55.13 N ATOM 772 CA VAL A 54 -4.877 -1.216 6.344 1.00 33.51 C ATOM 773 C VAL A 54 -5.427 0.221 6.445 1.00 41.31 C ATOM 774 O VAL A 54 -5.005 1.109 5.705 1.00 51.41 O ATOM 775 CB VAL A 54 -5.697 -2.017 5.295 1.00 44.12 C ATOM 776 CG1 VAL A 54 -7.162 -2.137 5.714 1.00 23.15 C ATOM 777 CG2 VAL A 54 -5.567 -1.388 3.908 1.00 1.30 C ATOM 0 H VAL A 54 -5.405 -2.765 7.666 1.00 55.13 H new ATOM 0 HA VAL A 54 -3.839 -1.160 6.017 1.00 33.51 H new ATOM 0 HB VAL A 54 -5.286 -3.025 5.245 1.00 44.12 H new ATOM 0 HG11 VAL A 54 -7.711 -2.702 4.961 1.00 23.15 H new ATOM 0 HG12 VAL A 54 -7.225 -2.653 6.672 1.00 23.15 H new ATOM 0 HG13 VAL A 54 -7.596 -1.142 5.808 1.00 23.15 H new ATOM 0 HG21 VAL A 54 -6.149 -1.966 3.190 1.00 1.30 H new ATOM 0 HG22 VAL A 54 -5.939 -0.364 3.937 1.00 1.30 H new ATOM 0 HG23 VAL A 54 -4.520 -1.385 3.607 1.00 1.30 H new ATOM 787 N GLU A 55 -6.349 0.443 7.381 1.00 50.02 N ATOM 788 CA GLU A 55 -6.969 1.764 7.571 1.00 3.01 C ATOM 789 C GLU A 55 -5.919 2.849 7.864 1.00 60.24 C ATOM 790 O GLU A 55 -5.926 3.922 7.254 1.00 34.35 O ATOM 791 CB GLU A 55 -7.987 1.711 8.718 1.00 54.34 C ATOM 792 CG GLU A 55 -9.107 0.694 8.515 1.00 62.30 C ATOM 793 CD GLU A 55 -9.970 0.996 7.297 1.00 11.55 C ATOM 794 OE1 GLU A 55 -10.643 2.048 7.282 1.00 1.31 O ATOM 795 OE2 GLU A 55 -9.995 0.176 6.358 1.00 11.14 O ATOM 0 H GLU A 55 -6.687 -0.273 8.023 1.00 50.02 H new ATOM 0 HA GLU A 55 -7.475 2.025 6.642 1.00 3.01 H new ATOM 0 HB2 GLU A 55 -7.462 1.476 9.644 1.00 54.34 H new ATOM 0 HB3 GLU A 55 -8.428 2.700 8.843 1.00 54.34 H new ATOM 0 HG2 GLU A 55 -8.673 -0.300 8.409 1.00 62.30 H new ATOM 0 HG3 GLU A 55 -9.737 0.673 9.404 1.00 62.30 H new ATOM 802 N ASP A 56 -5.014 2.556 8.794 1.00 2.22 N ATOM 803 CA ASP A 56 -3.973 3.509 9.189 1.00 34.35 C ATOM 804 C ASP A 56 -2.995 3.768 8.023 1.00 52.13 C ATOM 805 O ASP A 56 -2.435 4.859 7.886 1.00 43.33 O ATOM 806 CB ASP A 56 -3.227 2.980 10.420 1.00 75.44 C ATOM 807 CG ASP A 56 -2.511 4.078 11.183 1.00 64.24 C ATOM 808 OD1 ASP A 56 -3.173 4.783 11.978 1.00 21.22 O ATOM 809 OD2 ASP A 56 -1.292 4.236 11.008 1.00 61.14 O ATOM 0 H ASP A 56 -4.978 1.666 9.291 1.00 2.22 H new ATOM 0 HA ASP A 56 -4.443 4.459 9.444 1.00 34.35 H new ATOM 0 HB2 ASP A 56 -3.935 2.483 11.084 1.00 75.44 H new ATOM 0 HB3 ASP A 56 -2.503 2.228 10.106 1.00 75.44 H new ATOM 814 N ILE A 57 -2.817 2.755 7.177 1.00 71.53 N ATOM 815 CA ILE A 57 -1.980 2.877 5.979 1.00 71.34 C ATOM 816 C ILE A 57 -2.641 3.802 4.942 1.00 1.41 C ATOM 817 O ILE A 57 -2.006 4.718 4.416 1.00 4.14 O ATOM 818 CB ILE A 57 -1.720 1.492 5.331 1.00 13.05 C ATOM 819 CG1 ILE A 57 -1.117 0.519 6.360 1.00 24.31 C ATOM 820 CG2 ILE A 57 -0.801 1.627 4.114 1.00 74.14 C ATOM 821 CD1 ILE A 57 -0.873 -0.873 5.812 1.00 61.24 C ATOM 0 H ILE A 57 -3.242 1.836 7.298 1.00 71.53 H new ATOM 0 HA ILE A 57 -1.028 3.306 6.293 1.00 71.34 H new ATOM 0 HB ILE A 57 -2.674 1.088 4.994 1.00 13.05 H new ATOM 0 HG12 ILE A 57 -0.174 0.927 6.724 1.00 24.31 H new ATOM 0 HG13 ILE A 57 -1.786 0.450 7.218 1.00 24.31 H new ATOM 0 HG21 ILE A 57 -0.632 0.644 3.675 1.00 74.14 H new ATOM 0 HG22 ILE A 57 -1.268 2.279 3.376 1.00 74.14 H new ATOM 0 HG23 ILE A 57 0.152 2.055 4.424 1.00 74.14 H new ATOM 0 HD11 ILE A 57 -0.447 -1.502 6.594 1.00 61.24 H new ATOM 0 HD12 ILE A 57 -1.817 -1.302 5.475 1.00 61.24 H new ATOM 0 HD13 ILE A 57 -0.179 -0.817 4.973 1.00 61.24 H new ATOM 833 N LEU A 58 -3.926 3.560 4.670 1.00 53.12 N ATOM 834 CA LEU A 58 -4.690 4.359 3.700 1.00 71.23 C ATOM 835 C LEU A 58 -4.649 5.855 4.039 1.00 12.03 C ATOM 836 O LEU A 58 -4.590 6.701 3.142 1.00 23.20 O ATOM 837 CB LEU A 58 -6.148 3.875 3.642 1.00 2.41 C ATOM 838 CG LEU A 58 -6.340 2.424 3.168 1.00 45.41 C ATOM 839 CD1 LEU A 58 -7.814 2.024 3.219 1.00 42.44 C ATOM 840 CD2 LEU A 58 -5.777 2.237 1.761 1.00 73.22 C ATOM 0 H LEU A 58 -4.464 2.813 5.109 1.00 53.12 H new ATOM 0 HA LEU A 58 -4.224 4.224 2.724 1.00 71.23 H new ATOM 0 HB2 LEU A 58 -6.587 3.977 4.634 1.00 2.41 H new ATOM 0 HB3 LEU A 58 -6.706 4.534 2.977 1.00 2.41 H new ATOM 0 HG LEU A 58 -5.790 1.771 3.846 1.00 45.41 H new ATOM 0 HD11 LEU A 58 -7.924 0.994 2.879 1.00 42.44 H new ATOM 0 HD12 LEU A 58 -8.179 2.109 4.243 1.00 42.44 H new ATOM 0 HD13 LEU A 58 -8.392 2.683 2.572 1.00 42.44 H new ATOM 0 HD21 LEU A 58 -5.923 1.204 1.445 1.00 73.22 H new ATOM 0 HD22 LEU A 58 -6.293 2.904 1.071 1.00 73.22 H new ATOM 0 HD23 LEU A 58 -4.712 2.469 1.761 1.00 73.22 H new ATOM 852 N ARG A 59 -4.679 6.171 5.333 1.00 65.24 N ATOM 853 CA ARG A 59 -4.570 7.557 5.803 1.00 62.13 C ATOM 854 C ARG A 59 -3.330 8.247 5.211 1.00 74.12 C ATOM 855 O ARG A 59 -3.429 9.286 4.554 1.00 12.30 O ATOM 856 CB ARG A 59 -4.477 7.593 7.335 1.00 73.03 C ATOM 857 CG ARG A 59 -4.442 9.008 7.915 1.00 34.41 C ATOM 858 CD ARG A 59 -3.949 9.024 9.360 1.00 61.04 C ATOM 859 NE ARG A 59 -2.514 8.751 9.456 1.00 45.35 N ATOM 860 CZ ARG A 59 -1.932 8.200 10.491 1.00 22.34 C ATOM 861 NH1 ARG A 59 -2.625 7.822 11.514 1.00 74.10 N ATOM 862 NH2 ARG A 59 -0.651 8.033 10.495 1.00 62.03 N ATOM 0 H ARG A 59 -4.778 5.484 6.080 1.00 65.24 H new ATOM 0 HA ARG A 59 -5.463 8.089 5.474 1.00 62.13 H new ATOM 0 HB2 ARG A 59 -5.329 7.059 7.755 1.00 73.03 H new ATOM 0 HB3 ARG A 59 -3.580 7.059 7.649 1.00 73.03 H new ATOM 0 HG2 ARG A 59 -3.792 9.634 7.304 1.00 34.41 H new ATOM 0 HG3 ARG A 59 -5.440 9.443 7.868 1.00 34.41 H new ATOM 0 HD2 ARG A 59 -4.163 9.996 9.805 1.00 61.04 H new ATOM 0 HD3 ARG A 59 -4.498 8.281 9.938 1.00 61.04 H new ATOM 0 HE ARG A 59 -1.927 9.008 8.662 1.00 45.35 H new ATOM 0 HH11 ARG A 59 -3.637 7.952 11.521 1.00 74.10 H new ATOM 0 HH12 ARG A 59 -2.160 7.394 12.315 1.00 74.10 H new ATOM 0 HH21 ARG A 59 -0.095 8.330 9.693 1.00 62.03 H new ATOM 0 HH22 ARG A 59 -0.195 7.604 11.300 1.00 62.03 H new ATOM 876 N ASP A 60 -2.164 7.643 5.440 1.00 42.24 N ATOM 877 CA ASP A 60 -0.888 8.212 4.995 1.00 54.01 C ATOM 878 C ASP A 60 -0.785 8.209 3.457 1.00 32.22 C ATOM 879 O ASP A 60 -0.197 9.114 2.860 1.00 33.41 O ATOM 880 CB ASP A 60 0.276 7.432 5.624 1.00 64.45 C ATOM 881 CG ASP A 60 1.604 8.166 5.512 1.00 32.25 C ATOM 882 OD1 ASP A 60 1.732 9.256 6.108 1.00 52.45 O ATOM 883 OD2 ASP A 60 2.522 7.667 4.836 1.00 71.14 O ATOM 0 H ASP A 60 -2.075 6.755 5.934 1.00 42.24 H new ATOM 0 HA ASP A 60 -0.835 9.250 5.324 1.00 54.01 H new ATOM 0 HB2 ASP A 60 0.057 7.245 6.675 1.00 64.45 H new ATOM 0 HB3 ASP A 60 0.361 6.460 5.138 1.00 64.45 H new ATOM 888 N LEU A 61 -1.380 7.194 2.824 1.00 24.24 N ATOM 889 CA LEU A 61 -1.392 7.092 1.358 1.00 2.21 C ATOM 890 C LEU A 61 -2.162 8.257 0.712 1.00 34.31 C ATOM 891 O LEU A 61 -1.642 8.943 -0.170 1.00 4.04 O ATOM 892 CB LEU A 61 -2.014 5.758 0.921 1.00 14.43 C ATOM 893 CG LEU A 61 -1.229 4.501 1.323 1.00 74.33 C ATOM 894 CD1 LEU A 61 -1.963 3.239 0.878 1.00 22.01 C ATOM 895 CD2 LEU A 61 0.182 4.539 0.744 1.00 4.13 C ATOM 0 H LEU A 61 -1.860 6.431 3.301 1.00 24.24 H new ATOM 0 HA LEU A 61 -0.357 7.141 1.020 1.00 2.21 H new ATOM 0 HB2 LEU A 61 -3.017 5.689 1.342 1.00 14.43 H new ATOM 0 HB3 LEU A 61 -2.123 5.766 -0.163 1.00 14.43 H new ATOM 0 HG LEU A 61 -1.151 4.482 2.410 1.00 74.33 H new ATOM 0 HD11 LEU A 61 -1.389 2.361 1.173 1.00 22.01 H new ATOM 0 HD12 LEU A 61 -2.946 3.205 1.348 1.00 22.01 H new ATOM 0 HD13 LEU A 61 -2.079 3.249 -0.206 1.00 22.01 H new ATOM 0 HD21 LEU A 61 0.721 3.639 1.041 1.00 4.13 H new ATOM 0 HD22 LEU A 61 0.128 4.588 -0.344 1.00 4.13 H new ATOM 0 HD23 LEU A 61 0.706 5.417 1.121 1.00 4.13 H new ATOM 907 N ASN A 62 -3.399 8.488 1.162 1.00 12.43 N ATOM 908 CA ASN A 62 -4.213 9.592 0.633 1.00 25.10 C ATOM 909 C ASN A 62 -3.591 10.956 0.969 1.00 30.34 C ATOM 910 O ASN A 62 -3.731 11.918 0.210 1.00 52.43 O ATOM 911 CB ASN A 62 -5.655 9.513 1.159 1.00 33.33 C ATOM 912 CG ASN A 62 -6.446 8.388 0.511 1.00 71.30 C ATOM 913 OD1 ASN A 62 -7.055 8.564 -0.542 1.00 33.03 O ATOM 914 ND2 ASN A 62 -6.459 7.226 1.132 1.00 51.43 N ATOM 0 H ASN A 62 -3.857 7.932 1.884 1.00 12.43 H new ATOM 0 HA ASN A 62 -4.237 9.491 -0.452 1.00 25.10 H new ATOM 0 HB2 ASN A 62 -5.638 9.366 2.239 1.00 33.33 H new ATOM 0 HB3 ASN A 62 -6.159 10.462 0.974 1.00 33.33 H new ATOM 0 HD21 ASN A 62 -6.984 6.444 0.740 1.00 51.43 H new ATOM 0 HD22 ASN A 62 -5.944 7.108 2.005 1.00 51.43 H new ATOM 921 N ALA A 63 -2.891 11.027 2.100 1.00 1.12 N ATOM 922 CA ALA A 63 -2.179 12.248 2.495 1.00 42.40 C ATOM 923 C ALA A 63 -1.128 12.661 1.447 1.00 63.45 C ATOM 924 O ALA A 63 -0.820 13.846 1.293 1.00 44.14 O ATOM 925 CB ALA A 63 -1.526 12.056 3.861 1.00 74.42 C ATOM 0 H ALA A 63 -2.800 10.255 2.761 1.00 1.12 H new ATOM 0 HA ALA A 63 -2.910 13.054 2.559 1.00 42.40 H new ATOM 0 HB1 ALA A 63 -1.000 12.968 4.144 1.00 74.42 H new ATOM 0 HB2 ALA A 63 -2.293 11.834 4.603 1.00 74.42 H new ATOM 0 HB3 ALA A 63 -0.818 11.229 3.813 1.00 74.42 H new ATOM 931 N LEU A 64 -0.585 11.676 0.726 1.00 5.31 N ATOM 932 CA LEU A 64 0.370 11.938 -0.364 1.00 3.41 C ATOM 933 C LEU A 64 -0.319 12.599 -1.569 1.00 71.42 C ATOM 934 O LEU A 64 0.297 13.357 -2.315 1.00 25.25 O ATOM 935 CB LEU A 64 1.031 10.628 -0.815 1.00 40.23 C ATOM 936 CG LEU A 64 1.804 9.866 0.270 1.00 73.44 C ATOM 937 CD1 LEU A 64 2.315 8.537 -0.277 1.00 35.44 C ATOM 938 CD2 LEU A 64 2.958 10.709 0.811 1.00 34.04 C ATOM 0 H LEU A 64 -0.788 10.688 0.875 1.00 5.31 H new ATOM 0 HA LEU A 64 1.127 12.622 0.020 1.00 3.41 H new ATOM 0 HB2 LEU A 64 0.258 9.971 -1.214 1.00 40.23 H new ATOM 0 HB3 LEU A 64 1.715 10.850 -1.634 1.00 40.23 H new ATOM 0 HG LEU A 64 1.123 9.661 1.096 1.00 73.44 H new ATOM 0 HD11 LEU A 64 2.861 8.008 0.504 1.00 35.44 H new ATOM 0 HD12 LEU A 64 1.471 7.930 -0.605 1.00 35.44 H new ATOM 0 HD13 LEU A 64 2.978 8.722 -1.122 1.00 35.44 H new ATOM 0 HD21 LEU A 64 3.490 10.147 1.578 1.00 34.04 H new ATOM 0 HD22 LEU A 64 3.643 10.952 -0.001 1.00 34.04 H new ATOM 0 HD23 LEU A 64 2.565 11.630 1.242 1.00 34.04 H new ATOM 950 N ALA A 65 -1.597 12.285 -1.758 1.00 44.25 N ATOM 951 CA ALA A 65 -2.383 12.850 -2.858 1.00 42.13 C ATOM 952 C ALA A 65 -2.952 14.230 -2.496 1.00 44.21 C ATOM 953 O ALA A 65 -3.045 15.120 -3.341 1.00 1.32 O ATOM 954 CB ALA A 65 -3.510 11.896 -3.236 1.00 65.25 C ATOM 0 H ALA A 65 -2.115 11.639 -1.162 1.00 44.25 H new ATOM 0 HA ALA A 65 -1.719 12.981 -3.713 1.00 42.13 H new ATOM 0 HB1 ALA A 65 -4.089 12.323 -4.054 1.00 65.25 H new ATOM 0 HB2 ALA A 65 -3.088 10.941 -3.550 1.00 65.25 H new ATOM 0 HB3 ALA A 65 -4.159 11.740 -2.374 1.00 65.25 H new ATOM 960 N LEU A 66 -3.341 14.392 -1.234 1.00 22.42 N ATOM 961 CA LEU A 66 -3.900 15.657 -0.747 1.00 32.13 C ATOM 962 C LEU A 66 -2.805 16.710 -0.511 1.00 51.10 C ATOM 963 O LEU A 66 -2.953 17.869 -0.904 1.00 4.14 O ATOM 964 CB LEU A 66 -4.682 15.423 0.555 1.00 71.00 C ATOM 965 CG LEU A 66 -5.878 14.461 0.448 1.00 54.10 C ATOM 966 CD1 LEU A 66 -6.536 14.263 1.811 1.00 73.21 C ATOM 967 CD2 LEU A 66 -6.892 14.970 -0.578 1.00 41.33 C ATOM 0 H LEU A 66 -3.280 13.661 -0.525 1.00 22.42 H new ATOM 0 HA LEU A 66 -4.573 16.037 -1.516 1.00 32.13 H new ATOM 0 HB2 LEU A 66 -3.994 15.036 1.307 1.00 71.00 H new ATOM 0 HB3 LEU A 66 -5.044 16.385 0.919 1.00 71.00 H new ATOM 0 HG LEU A 66 -5.508 13.494 0.107 1.00 54.10 H new ATOM 0 HD11 LEU A 66 -7.379 13.579 1.712 1.00 73.21 H new ATOM 0 HD12 LEU A 66 -5.810 13.845 2.508 1.00 73.21 H new ATOM 0 HD13 LEU A 66 -6.889 15.223 2.187 1.00 73.21 H new ATOM 0 HD21 LEU A 66 -7.729 14.275 -0.638 1.00 41.33 H new ATOM 0 HD22 LEU A 66 -7.256 15.951 -0.274 1.00 41.33 H new ATOM 0 HD23 LEU A 66 -6.414 15.047 -1.555 1.00 41.33 H new ATOM 979 N GLU A 67 -1.728 16.306 0.173 1.00 52.00 N ATOM 980 CA GLU A 67 -0.601 17.202 0.518 1.00 72.53 C ATOM 981 C GLU A 67 -1.001 18.333 1.491 1.00 70.31 C ATOM 982 O GLU A 67 -0.131 19.000 2.057 1.00 21.13 O ATOM 983 CB GLU A 67 0.019 17.824 -0.742 1.00 72.20 C ATOM 984 CG GLU A 67 0.550 16.814 -1.755 1.00 72.14 C ATOM 985 CD GLU A 67 1.186 17.495 -2.956 1.00 30.04 C ATOM 986 OE1 GLU A 67 0.461 18.179 -3.707 1.00 71.04 O ATOM 987 OE2 GLU A 67 2.418 17.386 -3.133 1.00 15.34 O ATOM 0 H GLU A 67 -1.606 15.350 0.506 1.00 52.00 H new ATOM 0 HA GLU A 67 0.131 16.570 1.021 1.00 72.53 H new ATOM 0 HB2 GLU A 67 -0.730 18.448 -1.229 1.00 72.20 H new ATOM 0 HB3 GLU A 67 0.835 18.481 -0.442 1.00 72.20 H new ATOM 0 HG2 GLU A 67 1.284 16.168 -1.273 1.00 72.14 H new ATOM 0 HG3 GLU A 67 -0.266 16.174 -2.091 1.00 72.14 H new ATOM 994 N HIS A 68 -2.303 18.540 1.687 1.00 42.40 N ATOM 995 CA HIS A 68 -2.807 19.654 2.500 1.00 51.40 C ATOM 996 C HIS A 68 -2.260 19.624 3.937 1.00 10.43 C ATOM 997 O HIS A 68 -2.031 18.556 4.511 1.00 31.04 O ATOM 998 CB HIS A 68 -4.342 19.647 2.527 1.00 54.10 C ATOM 999 CG HIS A 68 -4.975 19.937 1.201 1.00 20.41 C ATOM 1000 ND1 HIS A 68 -5.207 21.215 0.744 1.00 3.44 N ATOM 1001 CD2 HIS A 68 -5.417 19.110 0.224 1.00 72.34 C ATOM 1002 CE1 HIS A 68 -5.762 21.164 -0.448 1.00 4.21 C ATOM 1003 NE2 HIS A 68 -5.899 19.900 -0.787 1.00 61.45 N ATOM 0 H HIS A 68 -3.034 17.948 1.292 1.00 42.40 H new ATOM 0 HA HIS A 68 -2.454 20.573 2.032 1.00 51.40 H new ATOM 0 HB2 HIS A 68 -4.685 18.673 2.877 1.00 54.10 H new ATOM 0 HB3 HIS A 68 -4.686 20.385 3.252 1.00 54.10 H new ATOM 0 HD2 HIS A 68 -5.394 18.030 0.239 1.00 72.34 H new ATOM 0 HE1 HIS A 68 -6.055 22.014 -1.046 1.00 4.21 H new ATOM 0 HE2 HIS A 68 -6.300 19.562 -1.662 1.00 61.45 H new ATOM 1012 N HIS A 69 -2.065 20.811 4.504 1.00 24.55 N ATOM 1013 CA HIS A 69 -1.543 20.967 5.865 1.00 72.24 C ATOM 1014 C HIS A 69 -2.359 20.138 6.877 1.00 73.22 C ATOM 1015 O HIS A 69 -3.574 20.321 7.009 1.00 72.34 O ATOM 1016 CB HIS A 69 -1.578 22.455 6.243 1.00 44.30 C ATOM 1017 CG HIS A 69 -0.830 22.804 7.495 1.00 51.21 C ATOM 1018 ND1 HIS A 69 0.449 23.317 7.489 1.00 63.21 N ATOM 1019 CD2 HIS A 69 -1.196 22.738 8.797 1.00 43.33 C ATOM 1020 CE1 HIS A 69 0.836 23.545 8.726 1.00 52.14 C ATOM 1021 NE2 HIS A 69 -0.140 23.205 9.538 1.00 31.32 N ATOM 0 H HIS A 69 -2.264 21.695 4.035 1.00 24.55 H new ATOM 0 HA HIS A 69 -0.517 20.600 5.894 1.00 72.24 H new ATOM 0 HB2 HIS A 69 -1.166 23.035 5.417 1.00 44.30 H new ATOM 0 HB3 HIS A 69 -2.618 22.761 6.360 1.00 44.30 H new ATOM 0 HD2 HIS A 69 -2.142 22.384 9.180 1.00 43.33 H new ATOM 0 HE1 HIS A 69 1.794 23.944 9.024 1.00 52.14 H new ATOM 0 HE2 HIS A 69 -0.116 23.277 10.555 1.00 31.32 H new ATOM 1030 N HIS A 70 -1.689 19.229 7.585 1.00 2.12 N ATOM 1031 CA HIS A 70 -2.349 18.394 8.599 1.00 3.31 C ATOM 1032 C HIS A 70 -2.749 19.235 9.823 1.00 43.23 C ATOM 1033 O HIS A 70 -2.239 20.338 10.017 1.00 72.13 O ATOM 1034 CB HIS A 70 -1.434 17.231 9.018 1.00 23.12 C ATOM 1035 CG HIS A 70 -1.107 16.276 7.904 1.00 1.53 C ATOM 1036 ND1 HIS A 70 -1.894 15.188 7.588 1.00 44.55 N ATOM 1037 CD2 HIS A 70 -0.064 16.239 7.038 1.00 70.11 C ATOM 1038 CE1 HIS A 70 -1.352 14.527 6.587 1.00 22.42 C ATOM 1039 NE2 HIS A 70 -0.242 15.139 6.232 1.00 31.11 N ATOM 0 H HIS A 70 -0.691 19.049 7.478 1.00 2.12 H new ATOM 0 HA HIS A 70 -3.257 17.979 8.161 1.00 3.31 H new ATOM 0 HB2 HIS A 70 -0.505 17.639 9.417 1.00 23.12 H new ATOM 0 HB3 HIS A 70 -1.913 16.679 9.827 1.00 23.12 H new ATOM 0 HD2 HIS A 70 0.754 16.942 6.990 1.00 70.11 H new ATOM 0 HE1 HIS A 70 -1.751 13.632 6.133 1.00 22.42 H new ATOM 0 HE2 HIS A 70 0.384 14.845 5.482 1.00 31.11 H new ATOM 1048 N HIS A 71 -3.674 18.717 10.640 1.00 2.53 N ATOM 1049 CA HIS A 71 -4.199 19.461 11.797 1.00 63.23 C ATOM 1050 C HIS A 71 -4.876 20.778 11.348 1.00 65.23 C ATOM 1051 O HIS A 71 -4.966 21.747 12.104 1.00 14.33 O ATOM 1052 CB HIS A 71 -3.066 19.726 12.808 1.00 30.14 C ATOM 1053 CG HIS A 71 -3.496 20.452 14.049 1.00 52.22 C ATOM 1054 ND1 HIS A 71 -3.005 21.690 14.403 1.00 31.02 N ATOM 1055 CD2 HIS A 71 -4.383 20.115 15.015 1.00 4.15 C ATOM 1056 CE1 HIS A 71 -3.564 22.080 15.529 1.00 64.25 C ATOM 1057 NE2 HIS A 71 -4.402 21.146 15.920 1.00 42.44 N ATOM 0 H HIS A 71 -4.076 17.787 10.524 1.00 2.53 H new ATOM 0 HA HIS A 71 -4.962 18.857 12.287 1.00 63.23 H new ATOM 0 HB2 HIS A 71 -2.622 18.773 13.095 1.00 30.14 H new ATOM 0 HB3 HIS A 71 -2.285 20.305 12.316 1.00 30.14 H new ATOM 0 HD2 HIS A 71 -4.965 19.207 15.064 1.00 4.15 H new ATOM 0 HE1 HIS A 71 -3.368 23.009 16.044 1.00 64.25 H new ATOM 0 HE2 HIS A 71 -4.976 21.182 16.763 1.00 42.44 H new ATOM 1066 N HIS A 72 -5.371 20.793 10.111 1.00 1.10 N ATOM 1067 CA HIS A 72 -6.029 21.980 9.550 1.00 73.50 C ATOM 1068 C HIS A 72 -7.321 21.606 8.807 1.00 12.21 C ATOM 1069 O HIS A 72 -7.357 20.632 8.050 1.00 2.31 O ATOM 1070 CB HIS A 72 -5.069 22.715 8.600 1.00 30.03 C ATOM 1071 CG HIS A 72 -5.628 23.992 8.040 1.00 23.21 C ATOM 1072 ND1 HIS A 72 -6.169 24.093 6.774 1.00 71.40 N ATOM 1073 CD2 HIS A 72 -5.723 25.231 8.581 1.00 33.25 C ATOM 1074 CE1 HIS A 72 -6.569 25.331 6.564 1.00 22.25 C ATOM 1075 NE2 HIS A 72 -6.312 26.039 7.641 1.00 65.42 N ATOM 0 H HIS A 72 -5.330 19.997 9.475 1.00 1.10 H new ATOM 0 HA HIS A 72 -6.295 22.639 10.376 1.00 73.50 H new ATOM 0 HB2 HIS A 72 -4.145 22.937 9.133 1.00 30.03 H new ATOM 0 HB3 HIS A 72 -4.810 22.051 7.776 1.00 30.03 H new ATOM 0 HD2 HIS A 72 -5.396 25.527 9.567 1.00 33.25 H new ATOM 0 HE1 HIS A 72 -7.030 25.701 5.660 1.00 22.25 H new ATOM 0 HE2 HIS A 72 -6.518 27.031 7.759 1.00 65.42 H new ATOM 1084 N HIS A 73 -8.380 22.383 9.031 1.00 5.24 N ATOM 1085 CA HIS A 73 -9.666 22.177 8.345 1.00 64.32 C ATOM 1086 C HIS A 73 -9.755 23.020 7.056 1.00 23.13 C ATOM 1087 O HIS A 73 -10.175 24.198 7.137 1.00 37.72 O ATOM 1088 CB HIS A 73 -10.830 22.524 9.281 1.00 31.50 C ATOM 1089 CG HIS A 73 -10.893 21.673 10.512 1.00 15.41 C ATOM 1090 ND1 HIS A 73 -11.722 20.580 10.627 1.00 45.14 N ATOM 1091 CD2 HIS A 73 -10.222 21.756 11.684 1.00 70.15 C ATOM 1092 CE1 HIS A 73 -11.564 20.033 11.815 1.00 61.43 C ATOM 1093 NE2 HIS A 73 -10.659 20.725 12.476 1.00 73.45 N ATOM 1094 OXT HIS A 73 -9.399 22.503 5.975 1.00 37.72 O ATOM 0 H HIS A 73 -8.377 23.166 9.685 1.00 5.24 H new ATOM 0 HA HIS A 73 -9.732 21.125 8.067 1.00 64.32 H new ATOM 0 HB2 HIS A 73 -10.746 23.569 9.578 1.00 31.50 H new ATOM 0 HB3 HIS A 73 -11.767 22.423 8.733 1.00 31.50 H new ATOM 0 HD2 HIS A 73 -9.481 22.496 11.947 1.00 70.15 H new ATOM 0 HE1 HIS A 73 -12.088 19.164 12.185 1.00 61.43 H new ATOM 0 HE2 HIS A 73 -10.336 20.526 13.423 1.00 73.45 H new TER 1103 HIS A 73