USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=18 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 42 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 45 GLN : amide:sc= -0.0858 K(o=-0.086,f=-0.61) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0103 (180deg=-0.033) USER MOD Single : A 2 THR OG1 : rot 180:sc=-0.00522 USER MOD Single : A 3 GLN :FLIP amide:sc= -0.944 F(o=-2.1!,f=-0.94) USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0404) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 0.958 (180deg=0.952) USER MOD Single : A 9 MET CE :methyl -168:sc=-0.00906 (180deg=-0.229) USER MOD Single : A 10 THR OG1 : rot -160:sc= -0.938 USER MOD Single : A 13 GLN :FLIP amide:sc=-0.00343 F(o=-1,f=-0.0034) USER MOD Single : A 16 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.034) USER MOD Single : A 17 THR OG1 : rot 69:sc= 1.1 USER MOD Single : A 18 HIS : no HD1:sc= -0.0806 K(o=-0.081,f=-2.2) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -166:sc= 0.666 USER MOD Single : A 29 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.19!) USER MOD Single : A 32 CYS SG : rot -32:sc= -1.09 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -167:sc= -0.0659 (180deg=-0.365) USER MOD Single : A 39 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.0088) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= 0.86 K(o=0.86,f=0) USER MOD Single : A 50 HIS : +bothHN:sc= 1.05 K(o=1,f=-9.4!) USER MOD Single : A 53 ASN : amide:sc= -0.826 K(o=-0.83,f=-12!) USER MOD Single : A 62 ASN : amide:sc= 0.184 K(o=0.18,f=-4.9!) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.36 F(o=-2.9!,f=-0.36) USER MOD Single : A 69 HIS : no HD1:sc=-0.00932 X(o=-0.0093,f=-0.0025) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.0069) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc=-0.000353 X(o=-0.00035,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.127 10.738 -0.860 1.00 24.52 N ATOM 2 CA MET A 1 -16.658 10.956 -0.984 1.00 11.25 C ATOM 3 C MET A 1 -15.938 9.683 -1.458 1.00 3.54 C ATOM 4 O MET A 1 -16.365 8.567 -1.167 1.00 25.52 O ATOM 5 CB MET A 1 -16.068 11.421 0.357 1.00 61.13 C ATOM 6 CG MET A 1 -16.504 12.820 0.774 1.00 70.21 C ATOM 7 SD MET A 1 -15.775 13.328 2.344 1.00 51.40 S ATOM 8 CE MET A 1 -16.380 15.013 2.471 1.00 53.51 C ATOM 0 H1 MET A 1 -18.625 11.320 -1.564 1.00 24.52 H new ATOM 0 H2 MET A 1 -18.344 9.734 -1.025 1.00 24.52 H new ATOM 0 H3 MET A 1 -18.439 11.007 0.095 1.00 24.52 H new ATOM 0 HA MET A 1 -16.504 11.733 -1.733 1.00 11.25 H new ATOM 0 HB2 MET A 1 -16.358 10.714 1.134 1.00 61.13 H new ATOM 0 HB3 MET A 1 -14.980 11.395 0.292 1.00 61.13 H new ATOM 0 HG2 MET A 1 -16.222 13.532 -0.002 1.00 70.21 H new ATOM 0 HG3 MET A 1 -17.591 12.850 0.854 1.00 70.21 H new ATOM 0 HE1 MET A 1 -16.013 15.463 3.393 1.00 53.51 H new ATOM 0 HE2 MET A 1 -16.025 15.592 1.619 1.00 53.51 H new ATOM 0 HE3 MET A 1 -17.470 15.009 2.478 1.00 53.51 H new ATOM 20 N THR A 2 -14.841 9.864 -2.191 1.00 61.24 N ATOM 21 CA THR A 2 -14.041 8.738 -2.696 1.00 61.11 C ATOM 22 C THR A 2 -12.540 8.997 -2.504 1.00 21.21 C ATOM 23 O THR A 2 -12.102 10.148 -2.420 1.00 71.11 O ATOM 24 CB THR A 2 -14.317 8.469 -4.197 1.00 54.22 C ATOM 25 OG1 THR A 2 -13.585 7.313 -4.636 1.00 64.44 O ATOM 26 CG2 THR A 2 -13.924 9.669 -5.054 1.00 22.41 C ATOM 0 H THR A 2 -14.481 10.782 -2.452 1.00 61.24 H new ATOM 0 HA THR A 2 -14.336 7.861 -2.120 1.00 61.11 H new ATOM 0 HB THR A 2 -15.387 8.293 -4.312 1.00 54.22 H new ATOM 0 HG1 THR A 2 -13.768 7.151 -5.585 1.00 64.44 H new ATOM 0 HG21 THR A 2 -14.129 9.450 -6.102 1.00 22.41 H new ATOM 0 HG22 THR A 2 -14.501 10.541 -4.745 1.00 22.41 H new ATOM 0 HG23 THR A 2 -12.861 9.874 -4.928 1.00 22.41 H new ATOM 34 N GLN A 3 -11.754 7.926 -2.434 1.00 13.42 N ATOM 35 CA GLN A 3 -10.304 8.038 -2.223 1.00 55.34 C ATOM 36 C GLN A 3 -9.527 7.518 -3.441 1.00 51.20 C ATOM 37 O GLN A 3 -9.932 6.538 -4.070 1.00 2.15 O ATOM 38 CB GLN A 3 -9.870 7.241 -0.977 1.00 51.33 C ATOM 39 CG GLN A 3 -10.648 7.569 0.301 1.00 55.11 C ATOM 40 CD GLN A 3 -12.056 6.978 0.340 1.00 33.20 C ATOM 41 OE1 GLN A 3 -12.251 5.827 -0.278 1.00 12.13 O flip ATOM 42 NE2 GLN A 3 -12.963 7.547 0.939 1.00 72.13 N flip ATOM 0 H GLN A 3 -12.092 6.968 -2.520 1.00 13.42 H new ATOM 0 HA GLN A 3 -10.078 9.094 -2.077 1.00 55.34 H new ATOM 0 HB2 GLN A 3 -9.978 6.177 -1.188 1.00 51.33 H new ATOM 0 HB3 GLN A 3 -8.811 7.424 -0.797 1.00 51.33 H new ATOM 0 HG2 GLN A 3 -10.087 7.201 1.160 1.00 55.11 H new ATOM 0 HG3 GLN A 3 -10.717 8.652 0.405 1.00 55.11 H new ATOM 0 HE21 GLN A 3 -12.786 8.435 1.408 1.00 72.13 H new ATOM 0 HE22 GLN A 3 -13.894 7.132 0.968 1.00 72.13 H new ATOM 51 N LYS A 4 -8.419 8.175 -3.779 1.00 1.01 N ATOM 52 CA LYS A 4 -7.522 7.669 -4.828 1.00 5.52 C ATOM 53 C LYS A 4 -6.734 6.452 -4.325 1.00 53.40 C ATOM 54 O LYS A 4 -6.343 5.583 -5.105 1.00 32.12 O ATOM 55 CB LYS A 4 -6.553 8.763 -5.312 1.00 55.20 C ATOM 56 CG LYS A 4 -7.240 9.941 -6.005 1.00 12.12 C ATOM 57 CD LYS A 4 -8.106 9.491 -7.185 1.00 70.42 C ATOM 58 CE LYS A 4 -7.286 8.823 -8.287 1.00 52.32 C ATOM 59 NZ LYS A 4 -6.331 9.766 -8.929 1.00 21.52 N ATOM 0 H LYS A 4 -8.119 9.050 -3.350 1.00 1.01 H new ATOM 0 HA LYS A 4 -8.141 7.365 -5.672 1.00 5.52 H new ATOM 0 HB2 LYS A 4 -5.988 9.137 -4.458 1.00 55.20 H new ATOM 0 HB3 LYS A 4 -5.834 8.319 -6.001 1.00 55.20 H new ATOM 0 HG2 LYS A 4 -7.860 10.474 -5.284 1.00 12.12 H new ATOM 0 HG3 LYS A 4 -6.485 10.644 -6.357 1.00 12.12 H new ATOM 0 HD2 LYS A 4 -8.867 8.796 -6.830 1.00 70.42 H new ATOM 0 HD3 LYS A 4 -8.630 10.353 -7.597 1.00 70.42 H new ATOM 0 HE2 LYS A 4 -6.735 7.981 -7.868 1.00 52.32 H new ATOM 0 HE3 LYS A 4 -7.959 8.419 -9.044 1.00 52.32 H new ATOM 0 HZ1 LYS A 4 -5.883 9.304 -9.746 1.00 21.52 H new ATOM 0 HZ2 LYS A 4 -6.842 10.614 -9.248 1.00 21.52 H new ATOM 0 HZ3 LYS A 4 -5.600 10.041 -8.242 1.00 21.52 H new ATOM 73 N PHE A 5 -6.509 6.401 -3.016 1.00 31.50 N ATOM 74 CA PHE A 5 -5.863 5.255 -2.376 1.00 52.12 C ATOM 75 C PHE A 5 -6.875 4.491 -1.510 1.00 72.20 C ATOM 76 O PHE A 5 -7.275 4.961 -0.442 1.00 21.41 O ATOM 77 CB PHE A 5 -4.679 5.726 -1.520 1.00 22.34 C ATOM 78 CG PHE A 5 -3.664 6.528 -2.296 1.00 22.05 C ATOM 79 CD1 PHE A 5 -3.794 7.905 -2.419 1.00 24.14 C ATOM 80 CD2 PHE A 5 -2.581 5.905 -2.904 1.00 54.51 C ATOM 81 CE1 PHE A 5 -2.866 8.641 -3.129 1.00 0.33 C ATOM 82 CE2 PHE A 5 -1.653 6.639 -3.614 1.00 72.31 C ATOM 83 CZ PHE A 5 -1.794 8.007 -3.727 1.00 53.24 C ATOM 0 H PHE A 5 -6.767 7.147 -2.370 1.00 31.50 H new ATOM 0 HA PHE A 5 -5.490 4.584 -3.150 1.00 52.12 H new ATOM 0 HB2 PHE A 5 -5.054 6.330 -0.694 1.00 22.34 H new ATOM 0 HB3 PHE A 5 -4.188 4.857 -1.082 1.00 22.34 H new ATOM 0 HD1 PHE A 5 -4.630 8.406 -1.954 1.00 24.14 H new ATOM 0 HD2 PHE A 5 -2.464 4.835 -2.820 1.00 54.51 H new ATOM 0 HE1 PHE A 5 -2.978 9.712 -3.217 1.00 0.33 H new ATOM 0 HE2 PHE A 5 -0.816 6.142 -4.082 1.00 72.31 H new ATOM 0 HZ PHE A 5 -1.067 8.581 -4.282 1.00 53.24 H new ATOM 93 N THR A 6 -7.298 3.325 -1.991 1.00 0.23 N ATOM 94 CA THR A 6 -8.314 2.509 -1.303 1.00 30.32 C ATOM 95 C THR A 6 -7.802 1.098 -0.994 1.00 51.15 C ATOM 96 O THR A 6 -6.839 0.629 -1.595 1.00 71.50 O ATOM 97 CB THR A 6 -9.612 2.384 -2.141 1.00 22.14 C ATOM 98 OG1 THR A 6 -10.519 1.462 -1.515 1.00 24.34 O ATOM 99 CG2 THR A 6 -9.313 1.915 -3.562 1.00 15.53 C ATOM 0 H THR A 6 -6.955 2.916 -2.860 1.00 0.23 H new ATOM 0 HA THR A 6 -8.530 3.028 -0.369 1.00 30.32 H new ATOM 0 HB THR A 6 -10.069 3.372 -2.192 1.00 22.14 H new ATOM 0 HG1 THR A 6 -11.336 1.392 -2.051 1.00 24.34 H new ATOM 0 HG21 THR A 6 -10.244 1.838 -4.123 1.00 15.53 H new ATOM 0 HG22 THR A 6 -8.653 2.632 -4.051 1.00 15.53 H new ATOM 0 HG23 THR A 6 -8.827 0.940 -3.529 1.00 15.53 H new ATOM 107 N LYS A 7 -8.465 0.420 -0.066 1.00 13.12 N ATOM 108 CA LYS A 7 -8.094 -0.948 0.318 1.00 44.31 C ATOM 109 C LYS A 7 -8.235 -1.934 -0.855 1.00 22.22 C ATOM 110 O LYS A 7 -7.572 -2.974 -0.890 1.00 1.33 O ATOM 111 CB LYS A 7 -8.978 -1.414 1.480 1.00 42.10 C ATOM 112 CG LYS A 7 -10.473 -1.403 1.156 1.00 43.41 C ATOM 113 CD LYS A 7 -11.306 -1.991 2.287 1.00 32.31 C ATOM 114 CE LYS A 7 -11.165 -1.201 3.584 1.00 43.41 C ATOM 115 NZ LYS A 7 -11.844 -1.888 4.714 1.00 4.02 N ATOM 0 H LYS A 7 -9.268 0.792 0.441 1.00 13.12 H new ATOM 0 HA LYS A 7 -7.047 -0.933 0.620 1.00 44.31 H new ATOM 0 HB2 LYS A 7 -8.684 -2.424 1.766 1.00 42.10 H new ATOM 0 HB3 LYS A 7 -8.797 -0.773 2.343 1.00 42.10 H new ATOM 0 HG2 LYS A 7 -10.795 -0.380 0.963 1.00 43.41 H new ATOM 0 HG3 LYS A 7 -10.650 -1.970 0.242 1.00 43.41 H new ATOM 0 HD2 LYS A 7 -12.354 -2.012 1.990 1.00 32.31 H new ATOM 0 HD3 LYS A 7 -11.003 -3.024 2.459 1.00 32.31 H new ATOM 0 HE2 LYS A 7 -10.109 -1.069 3.818 1.00 43.41 H new ATOM 0 HE3 LYS A 7 -11.589 -0.206 3.453 1.00 43.41 H new ATOM 0 HZ1 LYS A 7 -11.774 -1.301 5.570 1.00 4.02 H new ATOM 0 HZ2 LYS A 7 -12.846 -2.037 4.478 1.00 4.02 H new ATOM 0 HZ3 LYS A 7 -11.388 -2.807 4.886 1.00 4.02 H new ATOM 129 N ASP A 8 -9.102 -1.591 -1.810 1.00 1.21 N ATOM 130 CA ASP A 8 -9.446 -2.486 -2.922 1.00 24.55 C ATOM 131 C ASP A 8 -8.399 -2.461 -4.057 1.00 71.00 C ATOM 132 O ASP A 8 -8.269 -3.429 -4.808 1.00 41.03 O ATOM 133 CB ASP A 8 -10.826 -2.100 -3.467 1.00 10.33 C ATOM 134 CG ASP A 8 -11.322 -3.059 -4.535 1.00 34.43 C ATOM 135 OD1 ASP A 8 -11.645 -4.215 -4.197 1.00 62.40 O ATOM 136 OD2 ASP A 8 -11.390 -2.665 -5.718 1.00 42.51 O ATOM 0 H ASP A 8 -9.584 -0.692 -1.837 1.00 1.21 H new ATOM 0 HA ASP A 8 -9.460 -3.505 -2.535 1.00 24.55 H new ATOM 0 HB2 ASP A 8 -11.542 -2.074 -2.646 1.00 10.33 H new ATOM 0 HB3 ASP A 8 -10.780 -1.093 -3.881 1.00 10.33 H new ATOM 141 N MET A 9 -7.651 -1.364 -4.181 1.00 23.12 N ATOM 142 CA MET A 9 -6.676 -1.219 -5.276 1.00 14.42 C ATOM 143 C MET A 9 -5.387 -2.014 -4.994 1.00 44.22 C ATOM 144 O MET A 9 -5.022 -2.238 -3.837 1.00 31.42 O ATOM 145 CB MET A 9 -6.344 0.263 -5.507 1.00 51.12 C ATOM 146 CG MET A 9 -5.617 0.924 -4.343 1.00 14.32 C ATOM 147 SD MET A 9 -5.490 2.713 -4.517 1.00 15.51 S ATOM 148 CE MET A 9 -4.511 2.851 -6.012 1.00 75.54 C ATOM 0 H MET A 9 -7.696 -0.567 -3.546 1.00 23.12 H new ATOM 0 HA MET A 9 -7.131 -1.626 -6.179 1.00 14.42 H new ATOM 0 HB2 MET A 9 -5.730 0.352 -6.403 1.00 51.12 H new ATOM 0 HB3 MET A 9 -7.269 0.806 -5.700 1.00 51.12 H new ATOM 0 HG2 MET A 9 -6.140 0.691 -3.416 1.00 14.32 H new ATOM 0 HG3 MET A 9 -4.616 0.501 -4.259 1.00 14.32 H new ATOM 0 HE1 MET A 9 -4.171 3.880 -6.130 1.00 75.54 H new ATOM 0 HE2 MET A 9 -3.648 2.189 -5.944 1.00 75.54 H new ATOM 0 HE3 MET A 9 -5.118 2.569 -6.872 1.00 75.54 H new ATOM 158 N THR A 10 -4.705 -2.436 -6.057 1.00 11.34 N ATOM 159 CA THR A 10 -3.467 -3.225 -5.927 1.00 20.42 C ATOM 160 C THR A 10 -2.272 -2.366 -5.496 1.00 3.53 C ATOM 161 O THR A 10 -2.249 -1.148 -5.710 1.00 52.34 O ATOM 162 CB THR A 10 -3.093 -3.928 -7.255 1.00 13.24 C ATOM 163 OG1 THR A 10 -2.766 -2.953 -8.256 1.00 42.20 O ATOM 164 CG2 THR A 10 -4.234 -4.809 -7.753 1.00 11.34 C ATOM 0 H THR A 10 -4.983 -2.248 -7.020 1.00 11.34 H new ATOM 0 HA THR A 10 -3.676 -3.968 -5.157 1.00 20.42 H new ATOM 0 HB THR A 10 -2.226 -4.561 -7.066 1.00 13.24 H new ATOM 0 HG1 THR A 10 -2.842 -3.359 -9.145 1.00 42.20 H new ATOM 0 HG21 THR A 10 -3.942 -5.289 -8.687 1.00 11.34 H new ATOM 0 HG22 THR A 10 -4.457 -5.572 -7.007 1.00 11.34 H new ATOM 0 HG23 THR A 10 -5.120 -4.196 -7.922 1.00 11.34 H new ATOM 172 N PHE A 11 -1.273 -3.010 -4.890 1.00 43.45 N ATOM 173 CA PHE A 11 -0.023 -2.332 -4.519 1.00 4.03 C ATOM 174 C PHE A 11 0.634 -1.669 -5.738 1.00 72.22 C ATOM 175 O PHE A 11 1.138 -0.545 -5.655 1.00 74.21 O ATOM 176 CB PHE A 11 0.958 -3.323 -3.874 1.00 44.31 C ATOM 177 CG PHE A 11 0.532 -3.803 -2.508 1.00 43.44 C ATOM 178 CD1 PHE A 11 0.894 -3.096 -1.367 1.00 43.00 C ATOM 179 CD2 PHE A 11 -0.223 -4.956 -2.361 1.00 32.12 C ATOM 180 CE1 PHE A 11 0.510 -3.532 -0.114 1.00 11.44 C ATOM 181 CE2 PHE A 11 -0.608 -5.394 -1.110 1.00 23.55 C ATOM 182 CZ PHE A 11 -0.243 -4.681 0.016 1.00 73.44 C ATOM 0 H PHE A 11 -1.302 -4.000 -4.644 1.00 43.45 H new ATOM 0 HA PHE A 11 -0.272 -1.554 -3.797 1.00 4.03 H new ATOM 0 HB2 PHE A 11 1.074 -4.185 -4.531 1.00 44.31 H new ATOM 0 HB3 PHE A 11 1.937 -2.850 -3.793 1.00 44.31 H new ATOM 0 HD1 PHE A 11 1.482 -2.195 -1.462 1.00 43.00 H new ATOM 0 HD2 PHE A 11 -0.514 -5.519 -3.236 1.00 32.12 H new ATOM 0 HE1 PHE A 11 0.799 -2.974 0.764 1.00 11.44 H new ATOM 0 HE2 PHE A 11 -1.195 -6.295 -1.011 1.00 23.55 H new ATOM 0 HZ PHE A 11 -0.546 -5.022 0.995 1.00 73.44 H new ATOM 192 N ALA A 12 0.614 -2.372 -6.872 1.00 20.25 N ATOM 193 CA ALA A 12 1.180 -1.853 -8.121 1.00 33.41 C ATOM 194 C ALA A 12 0.544 -0.509 -8.515 1.00 13.12 C ATOM 195 O ALA A 12 1.247 0.444 -8.855 1.00 53.31 O ATOM 196 CB ALA A 12 1.007 -2.872 -9.242 1.00 12.41 C ATOM 0 H ALA A 12 0.211 -3.305 -6.952 1.00 20.25 H new ATOM 0 HA ALA A 12 2.244 -1.680 -7.958 1.00 33.41 H new ATOM 0 HB1 ALA A 12 1.431 -2.474 -10.164 1.00 12.41 H new ATOM 0 HB2 ALA A 12 1.520 -3.796 -8.976 1.00 12.41 H new ATOM 0 HB3 ALA A 12 -0.054 -3.075 -9.389 1.00 12.41 H new ATOM 202 N GLN A 13 -0.788 -0.435 -8.456 1.00 72.15 N ATOM 203 CA GLN A 13 -1.504 0.808 -8.775 1.00 20.24 C ATOM 204 C GLN A 13 -1.096 1.946 -7.829 1.00 50.14 C ATOM 205 O GLN A 13 -0.875 3.078 -8.260 1.00 0.04 O ATOM 206 CB GLN A 13 -3.023 0.594 -8.708 1.00 1.20 C ATOM 207 CG GLN A 13 -3.564 -0.317 -9.800 1.00 40.31 C ATOM 208 CD GLN A 13 -5.081 -0.455 -9.766 1.00 62.11 C ATOM 209 OE1 GLN A 13 -5.772 0.582 -9.336 1.00 4.51 O flip ATOM 210 NE2 GLN A 13 -5.627 -1.485 -10.141 1.00 65.32 N flip ATOM 0 H GLN A 13 -1.391 -1.214 -8.192 1.00 72.15 H new ATOM 0 HA GLN A 13 -1.230 1.091 -9.791 1.00 20.24 H new ATOM 0 HB2 GLN A 13 -3.278 0.172 -7.736 1.00 1.20 H new ATOM 0 HB3 GLN A 13 -3.520 1.562 -8.776 1.00 1.20 H new ATOM 0 HG2 GLN A 13 -3.262 0.072 -10.772 1.00 40.31 H new ATOM 0 HG3 GLN A 13 -3.113 -1.304 -9.698 1.00 40.31 H new ATOM 0 HE21 GLN A 13 -5.064 -2.270 -10.468 1.00 65.32 H new ATOM 0 HE22 GLN A 13 -6.644 -1.558 -10.126 1.00 65.32 H new ATOM 219 N ALA A 14 -0.993 1.634 -6.538 1.00 72.42 N ATOM 220 CA ALA A 14 -0.569 2.617 -5.533 1.00 73.14 C ATOM 221 C ALA A 14 0.812 3.210 -5.870 1.00 63.30 C ATOM 222 O ALA A 14 0.987 4.433 -5.882 1.00 33.22 O ATOM 223 CB ALA A 14 -0.553 1.973 -4.151 1.00 54.12 C ATOM 0 H ALA A 14 -1.197 0.709 -6.160 1.00 72.42 H new ATOM 0 HA ALA A 14 -1.287 3.437 -5.537 1.00 73.14 H new ATOM 0 HB1 ALA A 14 -0.237 2.708 -3.411 1.00 54.12 H new ATOM 0 HB2 ALA A 14 -1.553 1.616 -3.904 1.00 54.12 H new ATOM 0 HB3 ALA A 14 0.143 1.134 -4.149 1.00 54.12 H new ATOM 229 N LEU A 15 1.778 2.338 -6.165 1.00 53.14 N ATOM 230 CA LEU A 15 3.141 2.765 -6.523 1.00 72.35 C ATOM 231 C LEU A 15 3.156 3.634 -7.795 1.00 5.45 C ATOM 232 O LEU A 15 3.965 4.555 -7.920 1.00 33.34 O ATOM 233 CB LEU A 15 4.048 1.538 -6.713 1.00 21.22 C ATOM 234 CG LEU A 15 4.221 0.644 -5.471 1.00 33.34 C ATOM 235 CD1 LEU A 15 5.091 -0.570 -5.795 1.00 43.14 C ATOM 236 CD2 LEU A 15 4.810 1.442 -4.307 1.00 34.33 C ATOM 0 H LEU A 15 1.645 1.327 -6.164 1.00 53.14 H new ATOM 0 HA LEU A 15 3.520 3.374 -5.702 1.00 72.35 H new ATOM 0 HB2 LEU A 15 3.644 0.931 -7.523 1.00 21.22 H new ATOM 0 HB3 LEU A 15 5.032 1.881 -7.032 1.00 21.22 H new ATOM 0 HG LEU A 15 3.237 0.284 -5.170 1.00 33.34 H new ATOM 0 HD11 LEU A 15 5.200 -1.188 -4.904 1.00 43.14 H new ATOM 0 HD12 LEU A 15 4.621 -1.154 -6.586 1.00 43.14 H new ATOM 0 HD13 LEU A 15 6.074 -0.235 -6.127 1.00 43.14 H new ATOM 0 HD21 LEU A 15 4.924 0.791 -3.440 1.00 34.33 H new ATOM 0 HD22 LEU A 15 5.784 1.838 -4.594 1.00 34.33 H new ATOM 0 HD23 LEU A 15 4.143 2.266 -4.056 1.00 34.33 H new ATOM 248 N GLN A 16 2.266 3.328 -8.737 1.00 22.42 N ATOM 249 CA GLN A 16 2.128 4.121 -9.967 1.00 34.33 C ATOM 250 C GLN A 16 1.461 5.478 -9.691 1.00 61.35 C ATOM 251 O GLN A 16 1.795 6.491 -10.311 1.00 4.21 O ATOM 252 CB GLN A 16 1.313 3.339 -11.010 1.00 42.22 C ATOM 253 CG GLN A 16 2.011 2.088 -11.535 1.00 44.01 C ATOM 254 CD GLN A 16 3.251 2.407 -12.357 1.00 40.43 C ATOM 255 OE1 GLN A 16 3.177 2.579 -13.570 1.00 72.13 O ATOM 256 NE2 GLN A 16 4.396 2.487 -11.713 1.00 72.43 N ATOM 0 H GLN A 16 1.626 2.536 -8.676 1.00 22.42 H new ATOM 0 HA GLN A 16 3.129 4.311 -10.356 1.00 34.33 H new ATOM 0 HB2 GLN A 16 0.359 3.052 -10.569 1.00 42.22 H new ATOM 0 HB3 GLN A 16 1.090 3.997 -11.850 1.00 42.22 H new ATOM 0 HG2 GLN A 16 2.291 1.454 -10.694 1.00 44.01 H new ATOM 0 HG3 GLN A 16 1.312 1.517 -12.146 1.00 44.01 H new ATOM 0 HE21 GLN A 16 4.425 2.339 -10.704 1.00 72.43 H new ATOM 0 HE22 GLN A 16 5.254 2.697 -12.223 1.00 72.43 H new ATOM 265 N THR A 17 0.519 5.492 -8.752 1.00 0.11 N ATOM 266 CA THR A 17 -0.223 6.714 -8.416 1.00 60.10 C ATOM 267 C THR A 17 0.675 7.760 -7.731 1.00 43.42 C ATOM 268 O THR A 17 0.586 8.952 -8.029 1.00 11.40 O ATOM 269 CB THR A 17 -1.444 6.406 -7.511 1.00 0.32 C ATOM 270 OG1 THR A 17 -2.322 5.470 -8.162 1.00 70.22 O ATOM 271 CG2 THR A 17 -2.226 7.674 -7.187 1.00 41.23 C ATOM 0 H THR A 17 0.248 4.673 -8.207 1.00 0.11 H new ATOM 0 HA THR A 17 -0.578 7.128 -9.359 1.00 60.10 H new ATOM 0 HB THR A 17 -1.066 5.978 -6.583 1.00 0.32 H new ATOM 0 HG1 THR A 17 -1.883 4.596 -8.220 1.00 70.22 H new ATOM 0 HG21 THR A 17 -3.076 7.425 -6.551 1.00 41.23 H new ATOM 0 HG22 THR A 17 -1.577 8.378 -6.666 1.00 41.23 H new ATOM 0 HG23 THR A 17 -2.585 8.126 -8.111 1.00 41.23 H new ATOM 279 N HIS A 18 1.529 7.313 -6.808 1.00 71.02 N ATOM 280 CA HIS A 18 2.483 8.204 -6.126 1.00 73.14 C ATOM 281 C HIS A 18 3.723 7.439 -5.629 1.00 44.34 C ATOM 282 O HIS A 18 3.608 6.498 -4.848 1.00 52.54 O ATOM 283 CB HIS A 18 1.806 8.926 -4.944 1.00 13.10 C ATOM 284 CG HIS A 18 1.202 10.252 -5.304 1.00 52.43 C ATOM 285 ND1 HIS A 18 -0.133 10.433 -5.600 1.00 13.20 N ATOM 286 CD2 HIS A 18 1.768 11.480 -5.397 1.00 64.15 C ATOM 287 CE1 HIS A 18 -0.355 11.706 -5.859 1.00 74.42 C ATOM 288 NE2 HIS A 18 0.777 12.363 -5.742 1.00 4.34 N ATOM 0 H HIS A 18 1.583 6.338 -6.512 1.00 71.02 H new ATOM 0 HA HIS A 18 2.811 8.943 -6.857 1.00 73.14 H new ATOM 0 HB2 HIS A 18 1.027 8.282 -4.536 1.00 13.10 H new ATOM 0 HB3 HIS A 18 2.542 9.076 -4.154 1.00 13.10 H new ATOM 0 HD2 HIS A 18 2.808 11.719 -5.230 1.00 64.15 H new ATOM 0 HE1 HIS A 18 -1.309 12.138 -6.124 1.00 74.42 H new ATOM 0 HE2 HIS A 18 0.899 13.366 -5.884 1.00 4.34 H new ATOM 297 N PRO A 19 4.934 7.846 -6.062 1.00 13.35 N ATOM 298 CA PRO A 19 6.198 7.223 -5.610 1.00 1.13 C ATOM 299 C PRO A 19 6.357 7.233 -4.078 1.00 2.33 C ATOM 300 O PRO A 19 6.928 6.309 -3.496 1.00 64.44 O ATOM 301 CB PRO A 19 7.277 8.094 -6.267 1.00 30.22 C ATOM 302 CG PRO A 19 6.602 8.699 -7.453 1.00 43.43 C ATOM 303 CD PRO A 19 5.175 8.925 -7.039 1.00 33.21 C ATOM 0 HA PRO A 19 6.248 6.170 -5.886 1.00 1.13 H new ATOM 0 HB2 PRO A 19 7.638 8.861 -5.582 1.00 30.22 H new ATOM 0 HB3 PRO A 19 8.141 7.499 -6.563 1.00 30.22 H new ATOM 0 HG2 PRO A 19 7.079 9.636 -7.739 1.00 43.43 H new ATOM 0 HG3 PRO A 19 6.659 8.036 -8.316 1.00 43.43 H new ATOM 0 HD2 PRO A 19 5.036 9.910 -6.594 1.00 33.21 H new ATOM 0 HD3 PRO A 19 4.494 8.860 -7.888 1.00 33.21 H new ATOM 311 N GLY A 20 5.840 8.283 -3.433 1.00 65.42 N ATOM 312 CA GLY A 20 5.893 8.384 -1.974 1.00 65.31 C ATOM 313 C GLY A 20 5.253 7.196 -1.257 1.00 71.03 C ATOM 314 O GLY A 20 5.547 6.936 -0.087 1.00 51.10 O ATOM 0 H GLY A 20 5.383 9.069 -3.895 1.00 65.42 H new ATOM 0 HA2 GLY A 20 6.934 8.469 -1.661 1.00 65.31 H new ATOM 0 HA3 GLY A 20 5.391 9.300 -1.663 1.00 65.31 H new ATOM 318 N VAL A 21 4.375 6.476 -1.960 1.00 62.21 N ATOM 319 CA VAL A 21 3.737 5.274 -1.415 1.00 41.43 C ATOM 320 C VAL A 21 4.783 4.204 -1.062 1.00 52.41 C ATOM 321 O VAL A 21 4.636 3.483 -0.076 1.00 42.35 O ATOM 322 CB VAL A 21 2.706 4.686 -2.416 1.00 34.23 C ATOM 323 CG1 VAL A 21 2.118 3.369 -1.909 1.00 55.24 C ATOM 324 CG2 VAL A 21 1.596 5.699 -2.691 1.00 3.31 C ATOM 0 H VAL A 21 4.089 6.706 -2.912 1.00 62.21 H new ATOM 0 HA VAL A 21 3.215 5.569 -0.505 1.00 41.43 H new ATOM 0 HB VAL A 21 3.230 4.475 -3.348 1.00 34.23 H new ATOM 0 HG11 VAL A 21 1.401 2.987 -2.635 1.00 55.24 H new ATOM 0 HG12 VAL A 21 2.918 2.642 -1.773 1.00 55.24 H new ATOM 0 HG13 VAL A 21 1.615 3.538 -0.957 1.00 55.24 H new ATOM 0 HG21 VAL A 21 0.881 5.273 -3.394 1.00 3.31 H new ATOM 0 HG22 VAL A 21 1.087 5.943 -1.759 1.00 3.31 H new ATOM 0 HG23 VAL A 21 2.027 6.605 -3.116 1.00 3.31 H new ATOM 334 N ALA A 22 5.849 4.127 -1.861 1.00 35.01 N ATOM 335 CA ALA A 22 6.938 3.171 -1.616 1.00 71.52 C ATOM 336 C ALA A 22 7.532 3.348 -0.209 1.00 53.24 C ATOM 337 O ALA A 22 7.729 2.375 0.518 1.00 32.53 O ATOM 338 CB ALA A 22 8.025 3.319 -2.676 1.00 11.42 C ATOM 0 H ALA A 22 5.984 4.714 -2.684 1.00 35.01 H new ATOM 0 HA ALA A 22 6.521 2.166 -1.678 1.00 71.52 H new ATOM 0 HB1 ALA A 22 8.824 2.604 -2.480 1.00 11.42 H new ATOM 0 HB2 ALA A 22 7.601 3.128 -3.662 1.00 11.42 H new ATOM 0 HB3 ALA A 22 8.428 4.331 -2.645 1.00 11.42 H new ATOM 344 N GLY A 23 7.805 4.598 0.168 1.00 4.34 N ATOM 345 CA GLY A 23 8.322 4.889 1.504 1.00 33.10 C ATOM 346 C GLY A 23 7.353 4.484 2.613 1.00 0.45 C ATOM 347 O GLY A 23 7.758 3.923 3.635 1.00 44.31 O ATOM 0 H GLY A 23 7.678 5.417 -0.427 1.00 4.34 H new ATOM 0 HA2 GLY A 23 9.268 4.366 1.645 1.00 33.10 H new ATOM 0 HA3 GLY A 23 8.533 5.956 1.583 1.00 33.10 H new ATOM 351 N VAL A 24 6.066 4.763 2.404 1.00 23.34 N ATOM 352 CA VAL A 24 5.018 4.383 3.360 1.00 42.40 C ATOM 353 C VAL A 24 4.958 2.857 3.537 1.00 11.54 C ATOM 354 O VAL A 24 5.026 2.346 4.656 1.00 23.20 O ATOM 355 CB VAL A 24 3.626 4.893 2.903 1.00 51.50 C ATOM 356 CG1 VAL A 24 2.555 4.592 3.953 1.00 3.44 C ATOM 357 CG2 VAL A 24 3.675 6.385 2.579 1.00 34.31 C ATOM 0 H VAL A 24 5.720 5.253 1.579 1.00 23.34 H new ATOM 0 HA VAL A 24 5.273 4.848 4.312 1.00 42.40 H new ATOM 0 HB VAL A 24 3.355 4.359 1.993 1.00 51.50 H new ATOM 0 HG11 VAL A 24 1.590 4.961 3.605 1.00 3.44 H new ATOM 0 HG12 VAL A 24 2.495 3.516 4.114 1.00 3.44 H new ATOM 0 HG13 VAL A 24 2.815 5.085 4.890 1.00 3.44 H new ATOM 0 HG21 VAL A 24 2.688 6.721 2.261 1.00 34.31 H new ATOM 0 HG22 VAL A 24 3.979 6.940 3.466 1.00 34.31 H new ATOM 0 HG23 VAL A 24 4.393 6.560 1.778 1.00 34.31 H new ATOM 367 N LEU A 25 4.841 2.139 2.420 1.00 52.20 N ATOM 368 CA LEU A 25 4.791 0.674 2.440 1.00 62.12 C ATOM 369 C LEU A 25 6.031 0.075 3.124 1.00 73.33 C ATOM 370 O LEU A 25 5.907 -0.754 4.023 1.00 32.22 O ATOM 371 CB LEU A 25 4.658 0.125 1.011 1.00 14.22 C ATOM 372 CG LEU A 25 3.384 0.547 0.257 1.00 62.15 C ATOM 373 CD1 LEU A 25 3.350 -0.068 -1.139 1.00 21.55 C ATOM 374 CD2 LEU A 25 2.133 0.161 1.044 1.00 31.34 C ATOM 0 H LEU A 25 4.779 2.547 1.487 1.00 52.20 H new ATOM 0 HA LEU A 25 3.915 0.381 3.019 1.00 62.12 H new ATOM 0 HB2 LEU A 25 5.525 0.447 0.434 1.00 14.22 H new ATOM 0 HB3 LEU A 25 4.691 -0.964 1.054 1.00 14.22 H new ATOM 0 HG LEU A 25 3.400 1.632 0.152 1.00 62.15 H new ATOM 0 HD11 LEU A 25 2.441 0.245 -1.652 1.00 21.55 H new ATOM 0 HD12 LEU A 25 4.219 0.266 -1.705 1.00 21.55 H new ATOM 0 HD13 LEU A 25 3.366 -1.155 -1.058 1.00 21.55 H new ATOM 0 HD21 LEU A 25 1.246 0.469 0.491 1.00 31.34 H new ATOM 0 HD22 LEU A 25 2.113 -0.919 1.189 1.00 31.34 H new ATOM 0 HD23 LEU A 25 2.146 0.657 2.015 1.00 31.34 H new ATOM 386 N ARG A 26 7.223 0.502 2.705 1.00 32.44 N ATOM 387 CA ARG A 26 8.474 0.009 3.303 1.00 64.32 C ATOM 388 C ARG A 26 8.514 0.251 4.823 1.00 13.34 C ATOM 389 O ARG A 26 8.888 -0.639 5.590 1.00 14.55 O ATOM 390 CB ARG A 26 9.692 0.668 2.640 1.00 22.10 C ATOM 391 CG ARG A 26 9.888 0.275 1.177 1.00 12.14 C ATOM 392 CD ARG A 26 11.158 0.890 0.598 1.00 11.04 C ATOM 393 NE ARG A 26 12.349 0.471 1.335 1.00 22.41 N ATOM 394 CZ ARG A 26 13.523 1.028 1.223 1.00 52.02 C ATOM 395 NH1 ARG A 26 13.706 2.028 0.424 1.00 50.52 N ATOM 396 NH2 ARG A 26 14.512 0.580 1.921 1.00 13.24 N ATOM 0 H ARG A 26 7.353 1.184 1.958 1.00 32.44 H new ATOM 0 HA ARG A 26 8.510 -1.066 3.129 1.00 64.32 H new ATOM 0 HB2 ARG A 26 9.587 1.751 2.704 1.00 22.10 H new ATOM 0 HB3 ARG A 26 10.588 0.401 3.201 1.00 22.10 H new ATOM 0 HG2 ARG A 26 9.938 -0.811 1.094 1.00 12.14 H new ATOM 0 HG3 ARG A 26 9.027 0.600 0.593 1.00 12.14 H new ATOM 0 HD2 ARG A 26 11.258 0.601 -0.448 1.00 11.04 H new ATOM 0 HD3 ARG A 26 11.079 1.977 0.622 1.00 11.04 H new ATOM 0 HE ARG A 26 12.255 -0.312 1.982 1.00 22.41 H new ATOM 0 HH11 ARG A 26 12.928 2.389 -0.127 1.00 50.52 H new ATOM 0 HH12 ARG A 26 14.629 2.455 0.345 1.00 50.52 H new ATOM 0 HH21 ARG A 26 14.373 -0.206 2.556 1.00 13.24 H new ATOM 0 HH22 ARG A 26 15.432 1.012 1.837 1.00 13.24 H new ATOM 410 N SER A 27 8.124 1.452 5.249 1.00 32.01 N ATOM 411 CA SER A 27 8.068 1.789 6.681 1.00 71.31 C ATOM 412 C SER A 27 7.116 0.849 7.440 1.00 72.52 C ATOM 413 O SER A 27 7.352 0.504 8.597 1.00 50.22 O ATOM 414 CB SER A 27 7.618 3.246 6.874 1.00 71.30 C ATOM 415 OG SER A 27 7.602 3.609 8.248 1.00 71.13 O ATOM 0 H SER A 27 7.842 2.210 4.628 1.00 32.01 H new ATOM 0 HA SER A 27 9.072 1.665 7.087 1.00 71.31 H new ATOM 0 HB2 SER A 27 8.289 3.910 6.329 1.00 71.30 H new ATOM 0 HB3 SER A 27 6.623 3.380 6.450 1.00 71.30 H new ATOM 0 HG SER A 27 7.313 4.541 8.337 1.00 71.13 H new ATOM 421 N TYR A 28 6.042 0.432 6.771 1.00 2.32 N ATOM 422 CA TYR A 28 5.046 -0.474 7.365 1.00 62.11 C ATOM 423 C TYR A 28 5.371 -1.960 7.113 1.00 61.14 C ATOM 424 O TYR A 28 4.533 -2.825 7.353 1.00 63.55 O ATOM 425 CB TYR A 28 3.646 -0.142 6.821 1.00 10.35 C ATOM 426 CG TYR A 28 3.021 1.101 7.440 1.00 2.31 C ATOM 427 CD1 TYR A 28 3.656 2.340 7.377 1.00 70.04 C ATOM 428 CD2 TYR A 28 1.787 1.033 8.082 1.00 44.12 C ATOM 429 CE1 TYR A 28 3.085 3.466 7.941 1.00 72.34 C ATOM 430 CE2 TYR A 28 1.212 2.157 8.645 1.00 14.13 C ATOM 431 CZ TYR A 28 1.864 3.369 8.571 1.00 1.20 C ATOM 432 OH TYR A 28 1.289 4.487 9.130 1.00 23.14 O ATOM 0 H TYR A 28 5.834 0.706 5.811 1.00 2.32 H new ATOM 0 HA TYR A 28 5.072 -0.319 8.444 1.00 62.11 H new ATOM 0 HB2 TYR A 28 3.710 -0.005 5.741 1.00 10.35 H new ATOM 0 HB3 TYR A 28 2.988 -0.993 6.996 1.00 10.35 H new ATOM 0 HD1 TYR A 28 4.611 2.422 6.879 1.00 70.04 H new ATOM 0 HD2 TYR A 28 1.271 0.086 8.141 1.00 44.12 H new ATOM 0 HE1 TYR A 28 3.594 4.417 7.888 1.00 72.34 H new ATOM 0 HE2 TYR A 28 0.255 2.086 9.141 1.00 14.13 H new ATOM 0 HH TYR A 28 0.554 4.217 9.719 1.00 23.14 H new ATOM 442 N ASN A 29 6.588 -2.249 6.643 1.00 52.22 N ATOM 443 CA ASN A 29 7.037 -3.637 6.406 1.00 25.12 C ATOM 444 C ASN A 29 6.297 -4.276 5.203 1.00 53.14 C ATOM 445 O ASN A 29 6.206 -5.498 5.076 1.00 60.20 O ATOM 446 CB ASN A 29 6.838 -4.480 7.684 1.00 1.23 C ATOM 447 CG ASN A 29 7.671 -5.752 7.716 1.00 54.43 C ATOM 448 OD1 ASN A 29 8.037 -6.309 6.688 1.00 53.12 O ATOM 449 ND2 ASN A 29 7.975 -6.226 8.905 1.00 51.31 N ATOM 0 H ASN A 29 7.287 -1.542 6.416 1.00 52.22 H new ATOM 0 HA ASN A 29 8.098 -3.615 6.159 1.00 25.12 H new ATOM 0 HB2 ASN A 29 7.088 -3.871 8.553 1.00 1.23 H new ATOM 0 HB3 ASN A 29 5.784 -4.744 7.773 1.00 1.23 H new ATOM 0 HD21 ASN A 29 8.529 -7.078 8.988 1.00 51.31 H new ATOM 0 HD22 ASN A 29 7.657 -5.741 9.744 1.00 51.31 H new ATOM 456 N LEU A 30 5.772 -3.434 4.315 1.00 23.10 N ATOM 457 CA LEU A 30 5.114 -3.902 3.086 1.00 0.54 C ATOM 458 C LEU A 30 6.029 -3.771 1.859 1.00 74.22 C ATOM 459 O LEU A 30 5.656 -4.171 0.761 1.00 50.54 O ATOM 460 CB LEU A 30 3.813 -3.126 2.841 1.00 21.42 C ATOM 461 CG LEU A 30 2.673 -3.424 3.822 1.00 2.12 C ATOM 462 CD1 LEU A 30 1.468 -2.536 3.527 1.00 12.20 C ATOM 463 CD2 LEU A 30 2.286 -4.902 3.764 1.00 42.10 C ATOM 0 H LEU A 30 5.787 -2.420 4.420 1.00 23.10 H new ATOM 0 HA LEU A 30 4.887 -4.959 3.228 1.00 0.54 H new ATOM 0 HB2 LEU A 30 4.034 -2.059 2.880 1.00 21.42 H new ATOM 0 HB3 LEU A 30 3.466 -3.343 1.831 1.00 21.42 H new ATOM 0 HG LEU A 30 3.020 -3.203 4.831 1.00 2.12 H new ATOM 0 HD11 LEU A 30 0.669 -2.761 4.233 1.00 12.20 H new ATOM 0 HD12 LEU A 30 1.755 -1.489 3.625 1.00 12.20 H new ATOM 0 HD13 LEU A 30 1.119 -2.722 2.512 1.00 12.20 H new ATOM 0 HD21 LEU A 30 1.476 -5.094 4.467 1.00 42.10 H new ATOM 0 HD22 LEU A 30 1.958 -5.153 2.755 1.00 42.10 H new ATOM 0 HD23 LEU A 30 3.148 -5.514 4.028 1.00 42.10 H new ATOM 475 N GLY A 31 7.230 -3.229 2.045 1.00 33.11 N ATOM 476 CA GLY A 31 8.153 -3.046 0.925 1.00 52.14 C ATOM 477 C GLY A 31 8.515 -4.355 0.223 1.00 11.20 C ATOM 478 O GLY A 31 8.883 -4.361 -0.950 1.00 73.20 O ATOM 0 H GLY A 31 7.585 -2.912 2.947 1.00 33.11 H new ATOM 0 HA2 GLY A 31 7.705 -2.365 0.201 1.00 52.14 H new ATOM 0 HA3 GLY A 31 9.065 -2.572 1.288 1.00 52.14 H new ATOM 482 N CYS A 32 8.396 -5.465 0.948 1.00 64.43 N ATOM 483 CA CYS A 32 8.701 -6.797 0.406 1.00 51.42 C ATOM 484 C CYS A 32 7.643 -7.283 -0.607 1.00 11.31 C ATOM 485 O CYS A 32 7.777 -8.369 -1.173 1.00 0.51 O ATOM 486 CB CYS A 32 8.827 -7.808 1.552 1.00 33.24 C ATOM 487 SG CYS A 32 9.231 -9.492 1.028 1.00 4.44 S ATOM 0 H CYS A 32 8.088 -5.473 1.920 1.00 64.43 H new ATOM 0 HA CYS A 32 9.647 -6.718 -0.130 1.00 51.42 H new ATOM 0 HB2 CYS A 32 9.596 -7.462 2.242 1.00 33.24 H new ATOM 0 HB3 CYS A 32 7.888 -7.829 2.106 1.00 33.24 H new ATOM 0 HG CYS A 32 8.702 -9.723 -0.137 1.00 4.44 H new ATOM 493 N ILE A 33 6.598 -6.478 -0.843 1.00 51.44 N ATOM 494 CA ILE A 33 5.544 -6.834 -1.812 1.00 44.43 C ATOM 495 C ILE A 33 6.124 -7.266 -3.166 1.00 43.31 C ATOM 496 O ILE A 33 5.605 -8.182 -3.804 1.00 70.12 O ATOM 497 CB ILE A 33 4.548 -5.668 -2.050 1.00 13.24 C ATOM 498 CG1 ILE A 33 5.308 -4.355 -2.320 1.00 63.32 C ATOM 499 CG2 ILE A 33 3.590 -5.531 -0.868 1.00 64.24 C ATOM 500 CD1 ILE A 33 4.412 -3.172 -2.620 1.00 30.42 C ATOM 0 H ILE A 33 6.457 -5.580 -0.381 1.00 51.44 H new ATOM 0 HA ILE A 33 5.012 -7.674 -1.365 1.00 44.43 H new ATOM 0 HB ILE A 33 3.951 -5.892 -2.934 1.00 13.24 H new ATOM 0 HG12 ILE A 33 5.924 -4.119 -1.452 1.00 63.32 H new ATOM 0 HG13 ILE A 33 5.985 -4.506 -3.160 1.00 63.32 H new ATOM 0 HG21 ILE A 33 2.899 -4.708 -1.053 1.00 64.24 H new ATOM 0 HG22 ILE A 33 3.028 -6.457 -0.746 1.00 64.24 H new ATOM 0 HG23 ILE A 33 4.159 -5.330 0.040 1.00 64.24 H new ATOM 0 HD11 ILE A 33 5.024 -2.288 -2.798 1.00 30.42 H new ATOM 0 HD12 ILE A 33 3.814 -3.384 -3.506 1.00 30.42 H new ATOM 0 HD13 ILE A 33 3.752 -2.991 -1.772 1.00 30.42 H new ATOM 512 N GLY A 34 7.188 -6.599 -3.602 1.00 63.21 N ATOM 513 CA GLY A 34 7.862 -6.984 -4.834 1.00 72.02 C ATOM 514 C GLY A 34 8.501 -8.365 -4.743 1.00 31.45 C ATOM 515 O GLY A 34 8.315 -9.205 -5.621 1.00 12.41 O ATOM 0 H GLY A 34 7.598 -5.796 -3.124 1.00 63.21 H new ATOM 0 HA2 GLY A 34 7.145 -6.972 -5.655 1.00 72.02 H new ATOM 0 HA3 GLY A 34 8.630 -6.247 -5.070 1.00 72.02 H new ATOM 519 N CYS A 35 9.228 -8.606 -3.653 1.00 10.03 N ATOM 520 CA CYS A 35 9.945 -9.872 -3.456 1.00 51.10 C ATOM 521 C CYS A 35 8.986 -11.062 -3.286 1.00 51.21 C ATOM 522 O CYS A 35 9.283 -12.173 -3.728 1.00 65.44 O ATOM 523 CB CYS A 35 10.866 -9.764 -2.238 1.00 21.43 C ATOM 524 SG CYS A 35 12.060 -8.410 -2.344 1.00 71.14 S ATOM 0 H CYS A 35 9.338 -7.940 -2.888 1.00 10.03 H new ATOM 0 HA CYS A 35 10.537 -10.057 -4.352 1.00 51.10 H new ATOM 0 HB2 CYS A 35 10.257 -9.630 -1.344 1.00 21.43 H new ATOM 0 HB3 CYS A 35 11.406 -10.703 -2.118 1.00 21.43 H new ATOM 0 HG CYS A 35 12.794 -8.394 -1.271 1.00 71.14 H new ATOM 530 N MET A 36 7.840 -10.837 -2.638 1.00 30.43 N ATOM 531 CA MET A 36 6.835 -11.898 -2.462 1.00 24.34 C ATOM 532 C MET A 36 5.844 -11.940 -3.644 1.00 72.41 C ATOM 533 O MET A 36 5.006 -12.841 -3.733 1.00 45.10 O ATOM 534 CB MET A 36 6.088 -11.719 -1.127 1.00 51.30 C ATOM 535 CG MET A 36 5.296 -10.422 -1.013 1.00 22.15 C ATOM 536 SD MET A 36 4.622 -10.156 0.646 1.00 2.52 S ATOM 537 CE MET A 36 3.572 -11.598 0.834 1.00 55.13 C ATOM 0 H MET A 36 7.583 -9.939 -2.228 1.00 30.43 H new ATOM 0 HA MET A 36 7.359 -12.853 -2.440 1.00 24.34 H new ATOM 0 HB2 MET A 36 5.406 -12.559 -0.992 1.00 51.30 H new ATOM 0 HB3 MET A 36 6.811 -11.761 -0.312 1.00 51.30 H new ATOM 0 HG2 MET A 36 5.940 -9.584 -1.277 1.00 22.15 H new ATOM 0 HG3 MET A 36 4.479 -10.436 -1.734 1.00 22.15 H new ATOM 0 HE1 MET A 36 2.919 -11.462 1.696 1.00 55.13 H new ATOM 0 HE2 MET A 36 2.967 -11.727 -0.063 1.00 55.13 H new ATOM 0 HE3 MET A 36 4.192 -12.482 0.984 1.00 55.13 H new ATOM 547 N GLY A 37 5.950 -10.966 -4.549 1.00 40.21 N ATOM 548 CA GLY A 37 5.114 -10.944 -5.749 1.00 41.12 C ATOM 549 C GLY A 37 3.677 -10.480 -5.506 1.00 1.41 C ATOM 550 O GLY A 37 2.783 -10.777 -6.295 1.00 55.15 O ATOM 0 H GLY A 37 6.603 -10.186 -4.474 1.00 40.21 H new ATOM 0 HA2 GLY A 37 5.575 -10.288 -6.487 1.00 41.12 H new ATOM 0 HA3 GLY A 37 5.092 -11.944 -6.181 1.00 41.12 H new ATOM 554 N ALA A 38 3.459 -9.720 -4.438 1.00 51.23 N ATOM 555 CA ALA A 38 2.114 -9.234 -4.081 1.00 52.52 C ATOM 556 C ALA A 38 1.708 -7.981 -4.884 1.00 13.25 C ATOM 557 O ALA A 38 0.843 -7.216 -4.462 1.00 25.21 O ATOM 558 CB ALA A 38 2.057 -8.945 -2.584 1.00 35.51 C ATOM 0 H ALA A 38 4.194 -9.422 -3.797 1.00 51.23 H new ATOM 0 HA ALA A 38 1.400 -10.018 -4.336 1.00 52.52 H new ATOM 0 HB1 ALA A 38 1.062 -8.586 -2.320 1.00 35.51 H new ATOM 0 HB2 ALA A 38 2.272 -9.858 -2.029 1.00 35.51 H new ATOM 0 HB3 ALA A 38 2.796 -8.185 -2.332 1.00 35.51 H new ATOM 564 N GLN A 39 2.311 -7.798 -6.060 1.00 15.05 N ATOM 565 CA GLN A 39 2.058 -6.611 -6.895 1.00 55.24 C ATOM 566 C GLN A 39 0.588 -6.518 -7.347 1.00 24.10 C ATOM 567 O GLN A 39 -0.019 -5.448 -7.299 1.00 22.14 O ATOM 568 CB GLN A 39 2.978 -6.628 -8.128 1.00 72.33 C ATOM 569 CG GLN A 39 4.467 -6.703 -7.795 1.00 63.33 C ATOM 570 CD GLN A 39 4.951 -5.529 -6.958 1.00 40.21 C ATOM 571 OE1 GLN A 39 5.375 -4.503 -7.478 1.00 42.44 O ATOM 572 NE2 GLN A 39 4.898 -5.670 -5.649 1.00 34.22 N ATOM 0 H GLN A 39 2.980 -8.455 -6.461 1.00 15.05 H new ATOM 0 HA GLN A 39 2.272 -5.735 -6.283 1.00 55.24 H new ATOM 0 HB2 GLN A 39 2.713 -7.480 -8.754 1.00 72.33 H new ATOM 0 HB3 GLN A 39 2.793 -5.730 -8.718 1.00 72.33 H new ATOM 0 HG2 GLN A 39 4.667 -7.631 -7.259 1.00 63.33 H new ATOM 0 HG3 GLN A 39 5.039 -6.741 -8.722 1.00 63.33 H new ATOM 0 HE21 GLN A 39 4.540 -6.535 -5.243 1.00 34.22 H new ATOM 0 HE22 GLN A 39 5.214 -4.914 -5.041 1.00 34.22 H new ATOM 581 N ASN A 40 0.019 -7.646 -7.774 1.00 41.41 N ATOM 582 CA ASN A 40 -1.351 -7.669 -8.310 1.00 4.44 C ATOM 583 C ASN A 40 -2.397 -7.924 -7.206 1.00 52.23 C ATOM 584 O ASN A 40 -3.560 -8.214 -7.495 1.00 15.34 O ATOM 585 CB ASN A 40 -1.469 -8.742 -9.403 1.00 51.24 C ATOM 586 CG ASN A 40 -0.395 -8.601 -10.468 1.00 43.11 C ATOM 587 OD1 ASN A 40 -0.548 -7.862 -11.435 1.00 13.04 O ATOM 588 ND2 ASN A 40 0.699 -9.318 -10.308 1.00 23.02 N ATOM 0 H ASN A 40 0.480 -8.556 -7.761 1.00 41.41 H new ATOM 0 HA ASN A 40 -1.555 -6.687 -8.737 1.00 4.44 H new ATOM 0 HB2 ASN A 40 -1.399 -9.730 -8.948 1.00 51.24 H new ATOM 0 HB3 ASN A 40 -2.452 -8.675 -9.870 1.00 51.24 H new ATOM 0 HD21 ASN A 40 1.448 -9.267 -10.999 1.00 23.02 H new ATOM 0 HD22 ASN A 40 0.797 -9.924 -9.493 1.00 23.02 H new ATOM 595 N GLU A 41 -1.987 -7.801 -5.945 1.00 43.24 N ATOM 596 CA GLU A 41 -2.897 -8.012 -4.815 1.00 33.54 C ATOM 597 C GLU A 41 -3.326 -6.672 -4.190 1.00 73.20 C ATOM 598 O GLU A 41 -2.556 -5.709 -4.167 1.00 62.50 O ATOM 599 CB GLU A 41 -2.227 -8.913 -3.765 1.00 65.13 C ATOM 600 CG GLU A 41 -3.132 -9.268 -2.588 1.00 11.52 C ATOM 601 CD GLU A 41 -2.605 -10.433 -1.764 1.00 15.10 C ATOM 602 OE1 GLU A 41 -2.767 -11.596 -2.201 1.00 21.31 O ATOM 603 OE2 GLU A 41 -2.030 -10.203 -0.683 1.00 61.10 O ATOM 0 H GLU A 41 -1.033 -7.557 -5.678 1.00 43.24 H new ATOM 0 HA GLU A 41 -3.796 -8.507 -5.183 1.00 33.54 H new ATOM 0 HB2 GLU A 41 -1.897 -9.833 -4.247 1.00 65.13 H new ATOM 0 HB3 GLU A 41 -1.335 -8.413 -3.387 1.00 65.13 H new ATOM 0 HG2 GLU A 41 -3.241 -8.395 -1.945 1.00 11.52 H new ATOM 0 HG3 GLU A 41 -4.126 -9.515 -2.962 1.00 11.52 H new ATOM 610 N SER A 42 -4.565 -6.616 -3.704 1.00 55.54 N ATOM 611 CA SER A 42 -5.118 -5.392 -3.103 1.00 42.03 C ATOM 612 C SER A 42 -4.437 -5.039 -1.773 1.00 50.01 C ATOM 613 O SER A 42 -3.966 -5.916 -1.045 1.00 3.31 O ATOM 614 CB SER A 42 -6.630 -5.539 -2.892 1.00 33.14 C ATOM 615 OG SER A 42 -6.933 -6.663 -2.078 1.00 44.12 O ATOM 0 H SER A 42 -5.211 -7.405 -3.713 1.00 55.54 H new ATOM 0 HA SER A 42 -4.923 -4.576 -3.799 1.00 42.03 H new ATOM 0 HB2 SER A 42 -7.024 -4.635 -2.428 1.00 33.14 H new ATOM 0 HB3 SER A 42 -7.125 -5.643 -3.857 1.00 33.14 H new ATOM 0 HG SER A 42 -7.904 -6.730 -1.960 1.00 44.12 H new ATOM 621 N LEU A 43 -4.408 -3.740 -1.462 1.00 72.15 N ATOM 622 CA LEU A 43 -3.727 -3.225 -0.266 1.00 41.22 C ATOM 623 C LEU A 43 -4.160 -3.938 1.029 1.00 45.14 C ATOM 624 O LEU A 43 -3.320 -4.309 1.849 1.00 60.41 O ATOM 625 CB LEU A 43 -3.967 -1.713 -0.131 1.00 71.02 C ATOM 626 CG LEU A 43 -3.428 -0.848 -1.285 1.00 54.21 C ATOM 627 CD1 LEU A 43 -3.726 0.629 -1.044 1.00 53.03 C ATOM 628 CD2 LEU A 43 -1.928 -1.067 -1.477 1.00 54.42 C ATOM 0 H LEU A 43 -4.853 -3.017 -2.028 1.00 72.15 H new ATOM 0 HA LEU A 43 -2.664 -3.426 -0.401 1.00 41.22 H new ATOM 0 HB2 LEU A 43 -5.039 -1.540 -0.041 1.00 71.02 H new ATOM 0 HB3 LEU A 43 -3.511 -1.372 0.798 1.00 71.02 H new ATOM 0 HG LEU A 43 -3.938 -1.155 -2.198 1.00 54.21 H new ATOM 0 HD11 LEU A 43 -3.335 1.219 -1.873 1.00 53.03 H new ATOM 0 HD12 LEU A 43 -4.804 0.775 -0.971 1.00 53.03 H new ATOM 0 HD13 LEU A 43 -3.252 0.949 -0.116 1.00 53.03 H new ATOM 0 HD21 LEU A 43 -1.572 -0.445 -2.298 1.00 54.42 H new ATOM 0 HD22 LEU A 43 -1.401 -0.797 -0.562 1.00 54.42 H new ATOM 0 HD23 LEU A 43 -1.740 -2.115 -1.708 1.00 54.42 H new ATOM 640 N GLU A 44 -5.468 -4.132 1.212 1.00 23.44 N ATOM 641 CA GLU A 44 -5.979 -4.739 2.451 1.00 45.03 C ATOM 642 C GLU A 44 -5.488 -6.184 2.632 1.00 41.42 C ATOM 643 O GLU A 44 -5.068 -6.570 3.725 1.00 64.32 O ATOM 644 CB GLU A 44 -7.513 -4.696 2.497 1.00 32.23 C ATOM 645 CG GLU A 44 -8.093 -5.210 3.815 1.00 42.14 C ATOM 646 CD GLU A 44 -9.605 -5.071 3.897 1.00 71.31 C ATOM 647 OE1 GLU A 44 -10.319 -5.970 3.406 1.00 35.22 O ATOM 648 OE2 GLU A 44 -10.086 -4.067 4.463 1.00 31.43 O ATOM 0 H GLU A 44 -6.186 -3.883 0.532 1.00 23.44 H new ATOM 0 HA GLU A 44 -5.584 -4.146 3.276 1.00 45.03 H new ATOM 0 HB2 GLU A 44 -7.846 -3.670 2.337 1.00 32.23 H new ATOM 0 HB3 GLU A 44 -7.911 -5.292 1.676 1.00 32.23 H new ATOM 0 HG2 GLU A 44 -7.824 -6.259 3.939 1.00 42.14 H new ATOM 0 HG3 GLU A 44 -7.639 -4.664 4.642 1.00 42.14 H new ATOM 655 N GLN A 45 -5.528 -6.975 1.561 1.00 74.44 N ATOM 656 CA GLN A 45 -5.076 -8.370 1.615 1.00 22.45 C ATOM 657 C GLN A 45 -3.594 -8.460 2.015 1.00 62.41 C ATOM 658 O GLN A 45 -3.237 -9.180 2.951 1.00 13.51 O ATOM 659 CB GLN A 45 -5.305 -9.055 0.263 1.00 74.14 C ATOM 660 CG GLN A 45 -6.778 -9.206 -0.101 1.00 4.20 C ATOM 661 CD GLN A 45 -6.993 -9.751 -1.503 1.00 31.13 C ATOM 662 OE1 GLN A 45 -6.187 -10.513 -2.025 1.00 4.34 O ATOM 663 NE2 GLN A 45 -8.091 -9.368 -2.121 1.00 12.44 N ATOM 0 H GLN A 45 -5.867 -6.678 0.646 1.00 74.44 H new ATOM 0 HA GLN A 45 -5.662 -8.885 2.377 1.00 22.45 H new ATOM 0 HB2 GLN A 45 -4.804 -8.481 -0.516 1.00 74.14 H new ATOM 0 HB3 GLN A 45 -4.840 -10.041 0.281 1.00 74.14 H new ATOM 0 HG2 GLN A 45 -7.257 -9.870 0.618 1.00 4.20 H new ATOM 0 HG3 GLN A 45 -7.268 -8.236 -0.015 1.00 4.20 H new ATOM 0 HE21 GLN A 45 -8.741 -8.733 -1.659 1.00 12.44 H new ATOM 0 HE22 GLN A 45 -8.291 -9.707 -3.062 1.00 12.44 H new ATOM 672 N GLY A 46 -2.743 -7.713 1.313 1.00 33.13 N ATOM 673 CA GLY A 46 -1.319 -7.683 1.637 1.00 71.10 C ATOM 674 C GLY A 46 -1.039 -7.128 3.032 1.00 35.44 C ATOM 675 O GLY A 46 -0.133 -7.594 3.731 1.00 64.23 O ATOM 0 H GLY A 46 -3.012 -7.126 0.524 1.00 33.13 H new ATOM 0 HA2 GLY A 46 -0.914 -8.692 1.565 1.00 71.10 H new ATOM 0 HA3 GLY A 46 -0.796 -7.076 0.898 1.00 71.10 H new ATOM 679 N ALA A 47 -1.822 -6.126 3.438 1.00 61.25 N ATOM 680 CA ALA A 47 -1.706 -5.542 4.780 1.00 33.22 C ATOM 681 C ALA A 47 -1.961 -6.596 5.866 1.00 22.44 C ATOM 682 O ALA A 47 -1.135 -6.793 6.758 1.00 72.54 O ATOM 683 CB ALA A 47 -2.670 -4.371 4.936 1.00 5.14 C ATOM 0 H ALA A 47 -2.545 -5.700 2.857 1.00 61.25 H new ATOM 0 HA ALA A 47 -0.687 -5.174 4.901 1.00 33.22 H new ATOM 0 HB1 ALA A 47 -2.571 -3.949 5.936 1.00 5.14 H new ATOM 0 HB2 ALA A 47 -2.436 -3.606 4.195 1.00 5.14 H new ATOM 0 HB3 ALA A 47 -3.692 -4.719 4.788 1.00 5.14 H new ATOM 689 N ASN A 48 -3.102 -7.280 5.784 1.00 1.14 N ATOM 690 CA ASN A 48 -3.421 -8.354 6.733 1.00 4.12 C ATOM 691 C ASN A 48 -2.419 -9.515 6.626 1.00 22.43 C ATOM 692 O ASN A 48 -2.089 -10.151 7.626 1.00 4.44 O ATOM 693 CB ASN A 48 -4.851 -8.865 6.532 1.00 10.05 C ATOM 694 CG ASN A 48 -5.889 -7.871 7.018 1.00 64.31 C ATOM 695 OD1 ASN A 48 -6.198 -7.814 8.204 1.00 74.04 O ATOM 696 ND2 ASN A 48 -6.445 -7.093 6.116 1.00 24.32 N ATOM 0 H ASN A 48 -3.818 -7.114 5.077 1.00 1.14 H new ATOM 0 HA ASN A 48 -3.345 -7.931 7.735 1.00 4.12 H new ATOM 0 HB2 ASN A 48 -5.016 -9.072 5.475 1.00 10.05 H new ATOM 0 HB3 ASN A 48 -4.976 -9.808 7.064 1.00 10.05 H new ATOM 0 HD21 ASN A 48 -7.156 -6.417 6.394 1.00 24.32 H new ATOM 0 HD22 ASN A 48 -6.165 -7.166 5.138 1.00 24.32 H new ATOM 703 N ALA A 49 -1.925 -9.778 5.417 1.00 52.04 N ATOM 704 CA ALA A 49 -0.889 -10.799 5.211 1.00 42.32 C ATOM 705 C ALA A 49 0.390 -10.467 6.003 1.00 23.54 C ATOM 706 O ALA A 49 1.146 -11.357 6.387 1.00 51.03 O ATOM 707 CB ALA A 49 -0.574 -10.939 3.725 1.00 24.04 C ATOM 0 H ALA A 49 -2.222 -9.302 4.565 1.00 52.04 H new ATOM 0 HA ALA A 49 -1.274 -11.749 5.582 1.00 42.32 H new ATOM 0 HB1 ALA A 49 0.195 -11.699 3.586 1.00 24.04 H new ATOM 0 HB2 ALA A 49 -1.476 -11.233 3.188 1.00 24.04 H new ATOM 0 HB3 ALA A 49 -0.216 -9.985 3.338 1.00 24.04 H new ATOM 713 N HIS A 50 0.629 -9.175 6.231 1.00 3.12 N ATOM 714 CA HIS A 50 1.763 -8.718 7.050 1.00 31.02 C ATOM 715 C HIS A 50 1.312 -8.272 8.457 1.00 75.50 C ATOM 716 O HIS A 50 2.136 -7.885 9.288 1.00 55.32 O ATOM 717 CB HIS A 50 2.502 -7.574 6.339 1.00 0.03 C ATOM 718 CG HIS A 50 3.347 -8.023 5.180 1.00 14.50 C ATOM 719 ND1 HIS A 50 4.684 -7.706 5.058 1.00 33.23 N ATOM 720 CD2 HIS A 50 3.041 -8.761 4.084 1.00 41.04 C ATOM 721 CE1 HIS A 50 5.162 -8.229 3.948 1.00 42.11 C ATOM 722 NE2 HIS A 50 4.189 -8.874 3.337 1.00 71.03 N ATOM 0 H HIS A 50 0.052 -8.420 5.860 1.00 3.12 H new ATOM 0 HA HIS A 50 2.442 -9.562 7.176 1.00 31.02 H new ATOM 0 HB2 HIS A 50 1.771 -6.848 5.983 1.00 0.03 H new ATOM 0 HB3 HIS A 50 3.136 -7.060 7.061 1.00 0.03 H new ATOM 0 HD1 HIS A 50 5.220 -7.151 5.725 1.00 33.23 H new ATOM 0 HD2 HIS A 50 2.076 -9.181 3.843 1.00 41.04 H new ATOM 0 HE1 HIS A 50 6.180 -8.144 3.598 1.00 42.11 H new ATOM 0 HE2 HIS A 50 4.274 -9.376 2.453 1.00 71.03 H new ATOM 731 N GLY A 51 0.004 -8.334 8.713 1.00 2.10 N ATOM 732 CA GLY A 51 -0.541 -7.970 10.023 1.00 70.24 C ATOM 733 C GLY A 51 -0.596 -6.463 10.271 1.00 44.24 C ATOM 734 O GLY A 51 -0.034 -5.966 11.247 1.00 14.43 O ATOM 0 H GLY A 51 -0.696 -8.632 8.033 1.00 2.10 H new ATOM 0 HA2 GLY A 51 -1.546 -8.381 10.115 1.00 70.24 H new ATOM 0 HA3 GLY A 51 0.065 -8.435 10.800 1.00 70.24 H new ATOM 738 N LEU A 52 -1.288 -5.737 9.396 1.00 2.42 N ATOM 739 CA LEU A 52 -1.397 -4.275 9.507 1.00 32.22 C ATOM 740 C LEU A 52 -2.852 -3.802 9.367 1.00 31.24 C ATOM 741 O LEU A 52 -3.723 -4.556 8.927 1.00 22.43 O ATOM 742 CB LEU A 52 -0.551 -3.605 8.418 1.00 54.00 C ATOM 743 CG LEU A 52 0.926 -4.025 8.372 1.00 62.30 C ATOM 744 CD1 LEU A 52 1.617 -3.399 7.170 1.00 62.54 C ATOM 745 CD2 LEU A 52 1.643 -3.641 9.665 1.00 32.33 C ATOM 0 H LEU A 52 -1.785 -6.134 8.598 1.00 2.42 H new ATOM 0 HA LEU A 52 -1.035 -3.994 10.496 1.00 32.22 H new ATOM 0 HB2 LEU A 52 -1.002 -3.820 7.449 1.00 54.00 H new ATOM 0 HB3 LEU A 52 -0.599 -2.525 8.559 1.00 54.00 H new ATOM 0 HG LEU A 52 0.970 -5.110 8.272 1.00 62.30 H new ATOM 0 HD11 LEU A 52 2.663 -3.706 7.151 1.00 62.54 H new ATOM 0 HD12 LEU A 52 1.125 -3.729 6.255 1.00 62.54 H new ATOM 0 HD13 LEU A 52 1.559 -2.313 7.242 1.00 62.54 H new ATOM 0 HD21 LEU A 52 2.687 -3.949 9.607 1.00 32.33 H new ATOM 0 HD22 LEU A 52 1.590 -2.561 9.803 1.00 32.33 H new ATOM 0 HD23 LEU A 52 1.164 -4.138 10.508 1.00 32.33 H new ATOM 757 N ASN A 53 -3.107 -2.549 9.741 1.00 61.34 N ATOM 758 CA ASN A 53 -4.410 -1.919 9.504 1.00 23.44 C ATOM 759 C ASN A 53 -4.371 -1.126 8.190 1.00 4.43 C ATOM 760 O ASN A 53 -3.687 -0.104 8.091 1.00 72.24 O ATOM 761 CB ASN A 53 -4.783 -0.982 10.666 1.00 71.14 C ATOM 762 CG ASN A 53 -6.167 -0.359 10.505 1.00 30.33 C ATOM 763 OD1 ASN A 53 -6.685 -0.230 9.403 1.00 21.14 O ATOM 764 ND2 ASN A 53 -6.766 0.061 11.597 1.00 42.15 N ATOM 0 H ASN A 53 -2.430 -1.948 10.210 1.00 61.34 H new ATOM 0 HA ASN A 53 -5.165 -2.702 9.435 1.00 23.44 H new ATOM 0 HB2 ASN A 53 -4.748 -1.540 11.602 1.00 71.14 H new ATOM 0 HB3 ASN A 53 -4.039 -0.189 10.740 1.00 71.14 H new ATOM 0 HD21 ASN A 53 -7.682 0.505 11.537 1.00 42.15 H new ATOM 0 HD22 ASN A 53 -6.315 -0.058 12.504 1.00 42.15 H new ATOM 771 N VAL A 54 -5.115 -1.590 7.189 1.00 65.43 N ATOM 772 CA VAL A 54 -5.138 -0.935 5.879 1.00 52.22 C ATOM 773 C VAL A 54 -5.604 0.529 5.977 1.00 2.31 C ATOM 774 O VAL A 54 -5.105 1.392 5.258 1.00 2.22 O ATOM 775 CB VAL A 54 -6.036 -1.708 4.876 1.00 52.02 C ATOM 776 CG1 VAL A 54 -7.492 -1.734 5.347 1.00 74.23 C ATOM 777 CG2 VAL A 54 -5.919 -1.111 3.472 1.00 0.02 C ATOM 0 H VAL A 54 -5.710 -2.416 7.257 1.00 65.43 H new ATOM 0 HA VAL A 54 -4.113 -0.942 5.509 1.00 52.22 H new ATOM 0 HB VAL A 54 -5.685 -2.739 4.833 1.00 52.02 H new ATOM 0 HG11 VAL A 54 -8.098 -2.282 4.625 1.00 74.23 H new ATOM 0 HG12 VAL A 54 -7.552 -2.225 6.318 1.00 74.23 H new ATOM 0 HG13 VAL A 54 -7.865 -0.713 5.433 1.00 74.23 H new ATOM 0 HG21 VAL A 54 -6.557 -1.668 2.785 1.00 0.02 H new ATOM 0 HG22 VAL A 54 -6.233 -0.067 3.493 1.00 0.02 H new ATOM 0 HG23 VAL A 54 -4.884 -1.172 3.136 1.00 0.02 H new ATOM 787 N GLU A 55 -6.539 0.807 6.887 1.00 74.04 N ATOM 788 CA GLU A 55 -7.072 2.164 7.068 1.00 23.13 C ATOM 789 C GLU A 55 -5.971 3.153 7.487 1.00 41.11 C ATOM 790 O GLU A 55 -5.875 4.258 6.950 1.00 33.01 O ATOM 791 CB GLU A 55 -8.198 2.165 8.117 1.00 2.14 C ATOM 792 CG GLU A 55 -9.376 1.261 7.767 1.00 11.01 C ATOM 793 CD GLU A 55 -10.597 1.523 8.640 1.00 53.24 C ATOM 794 OE1 GLU A 55 -10.544 1.239 9.857 1.00 73.11 O ATOM 795 OE2 GLU A 55 -11.616 2.014 8.110 1.00 14.32 O ATOM 0 H GLU A 55 -6.945 0.111 7.512 1.00 74.04 H new ATOM 0 HA GLU A 55 -7.473 2.488 6.108 1.00 23.13 H new ATOM 0 HB2 GLU A 55 -7.786 1.852 9.077 1.00 2.14 H new ATOM 0 HB3 GLU A 55 -8.561 3.185 8.243 1.00 2.14 H new ATOM 0 HG2 GLU A 55 -9.644 1.409 6.721 1.00 11.01 H new ATOM 0 HG3 GLU A 55 -9.074 0.219 7.875 1.00 11.01 H new ATOM 802 N ASP A 56 -5.138 2.742 8.443 1.00 1.35 N ATOM 803 CA ASP A 56 -4.039 3.584 8.925 1.00 50.12 C ATOM 804 C ASP A 56 -3.039 3.877 7.794 1.00 3.24 C ATOM 805 O ASP A 56 -2.476 4.972 7.713 1.00 2.01 O ATOM 806 CB ASP A 56 -3.332 2.905 10.100 1.00 15.54 C ATOM 807 CG ASP A 56 -2.322 3.819 10.768 1.00 31.03 C ATOM 808 OD1 ASP A 56 -1.165 3.881 10.307 1.00 0.42 O ATOM 809 OD2 ASP A 56 -2.686 4.494 11.751 1.00 61.31 O ATOM 0 H ASP A 56 -5.202 1.832 8.900 1.00 1.35 H new ATOM 0 HA ASP A 56 -4.455 4.533 9.265 1.00 50.12 H new ATOM 0 HB2 ASP A 56 -4.073 2.588 10.834 1.00 15.54 H new ATOM 0 HB3 ASP A 56 -2.828 2.005 9.747 1.00 15.54 H new ATOM 814 N ILE A 57 -2.833 2.889 6.924 1.00 73.31 N ATOM 815 CA ILE A 57 -1.974 3.051 5.748 1.00 72.52 C ATOM 816 C ILE A 57 -2.595 4.044 4.748 1.00 1.43 C ATOM 817 O ILE A 57 -1.946 4.998 4.315 1.00 52.32 O ATOM 818 CB ILE A 57 -1.737 1.692 5.039 1.00 72.10 C ATOM 819 CG1 ILE A 57 -1.187 0.659 6.036 1.00 3.11 C ATOM 820 CG2 ILE A 57 -0.780 1.856 3.855 1.00 71.13 C ATOM 821 CD1 ILE A 57 -1.040 -0.733 5.457 1.00 5.42 C ATOM 0 H ILE A 57 -3.251 1.963 7.011 1.00 73.31 H new ATOM 0 HA ILE A 57 -1.018 3.442 6.095 1.00 72.52 H new ATOM 0 HB ILE A 57 -2.693 1.333 4.656 1.00 72.10 H new ATOM 0 HG12 ILE A 57 -0.215 0.997 6.396 1.00 3.11 H new ATOM 0 HG13 ILE A 57 -1.849 0.614 6.901 1.00 3.11 H new ATOM 0 HG21 ILE A 57 -0.629 0.890 3.373 1.00 71.13 H new ATOM 0 HG22 ILE A 57 -1.206 2.557 3.137 1.00 71.13 H new ATOM 0 HG23 ILE A 57 0.177 2.238 4.211 1.00 71.13 H new ATOM 0 HD11 ILE A 57 -0.647 -1.405 6.220 1.00 5.42 H new ATOM 0 HD12 ILE A 57 -2.013 -1.093 5.123 1.00 5.42 H new ATOM 0 HD13 ILE A 57 -0.354 -0.704 4.610 1.00 5.42 H new ATOM 833 N LEU A 58 -3.866 3.814 4.405 1.00 11.15 N ATOM 834 CA LEU A 58 -4.607 4.694 3.489 1.00 72.51 C ATOM 835 C LEU A 58 -4.607 6.145 3.989 1.00 73.31 C ATOM 836 O LEU A 58 -4.610 7.086 3.196 1.00 62.51 O ATOM 837 CB LEU A 58 -6.052 4.201 3.319 1.00 44.03 C ATOM 838 CG LEU A 58 -6.197 2.783 2.742 1.00 40.12 C ATOM 839 CD1 LEU A 58 -7.667 2.385 2.636 1.00 71.40 C ATOM 840 CD2 LEU A 58 -5.504 2.679 1.385 1.00 62.12 C ATOM 0 H LEU A 58 -4.408 3.021 4.749 1.00 11.15 H new ATOM 0 HA LEU A 58 -4.103 4.664 2.523 1.00 72.51 H new ATOM 0 HB2 LEU A 58 -6.546 4.233 4.290 1.00 44.03 H new ATOM 0 HB3 LEU A 58 -6.582 4.897 2.668 1.00 44.03 H new ATOM 0 HG LEU A 58 -5.710 2.087 3.425 1.00 40.12 H new ATOM 0 HD11 LEU A 58 -7.743 1.378 2.225 1.00 71.40 H new ATOM 0 HD12 LEU A 58 -8.123 2.408 3.626 1.00 71.40 H new ATOM 0 HD13 LEU A 58 -8.187 3.084 1.981 1.00 71.40 H new ATOM 0 HD21 LEU A 58 -5.619 1.668 0.994 1.00 62.12 H new ATOM 0 HD22 LEU A 58 -5.954 3.389 0.691 1.00 62.12 H new ATOM 0 HD23 LEU A 58 -4.444 2.906 1.499 1.00 62.12 H new ATOM 852 N ARG A 59 -4.612 6.312 5.310 1.00 34.32 N ATOM 853 CA ARG A 59 -4.485 7.633 5.933 1.00 23.34 C ATOM 854 C ARG A 59 -3.269 8.399 5.382 1.00 43.04 C ATOM 855 O ARG A 59 -3.399 9.522 4.891 1.00 71.45 O ATOM 856 CB ARG A 59 -4.352 7.471 7.455 1.00 51.44 C ATOM 857 CG ARG A 59 -3.926 8.737 8.196 1.00 32.11 C ATOM 858 CD ARG A 59 -3.460 8.422 9.617 1.00 21.02 C ATOM 859 NE ARG A 59 -2.437 7.369 9.629 1.00 44.41 N ATOM 860 CZ ARG A 59 -1.219 7.514 10.086 1.00 61.31 C ATOM 861 NH1 ARG A 59 -0.818 8.641 10.581 1.00 23.22 N ATOM 862 NH2 ARG A 59 -0.400 6.519 10.051 1.00 53.41 N ATOM 0 H ARG A 59 -4.703 5.545 5.976 1.00 34.32 H new ATOM 0 HA ARG A 59 -5.380 8.209 5.698 1.00 23.34 H new ATOM 0 HB2 ARG A 59 -5.308 7.136 7.856 1.00 51.44 H new ATOM 0 HB3 ARG A 59 -3.627 6.684 7.661 1.00 51.44 H new ATOM 0 HG2 ARG A 59 -3.121 9.228 7.648 1.00 32.11 H new ATOM 0 HG3 ARG A 59 -4.760 9.437 8.232 1.00 32.11 H new ATOM 0 HD2 ARG A 59 -3.059 9.325 10.078 1.00 21.02 H new ATOM 0 HD3 ARG A 59 -4.313 8.109 10.219 1.00 21.02 H new ATOM 0 HE ARG A 59 -2.695 6.456 9.253 1.00 44.41 H new ATOM 0 HH11 ARG A 59 -1.455 9.436 10.620 1.00 23.22 H new ATOM 0 HH12 ARG A 59 0.135 8.733 10.932 1.00 23.22 H new ATOM 0 HH21 ARG A 59 -0.702 5.623 9.668 1.00 53.41 H new ATOM 0 HH22 ARG A 59 0.550 6.628 10.406 1.00 53.41 H new ATOM 876 N ASP A 60 -2.096 7.774 5.456 1.00 75.51 N ATOM 877 CA ASP A 60 -0.852 8.404 5.005 1.00 51.34 C ATOM 878 C ASP A 60 -0.820 8.521 3.468 1.00 5.52 C ATOM 879 O ASP A 60 -0.445 9.561 2.920 1.00 11.04 O ATOM 880 CB ASP A 60 0.349 7.590 5.510 1.00 32.33 C ATOM 881 CG ASP A 60 1.648 8.381 5.475 1.00 4.01 C ATOM 882 OD1 ASP A 60 2.204 8.581 4.378 1.00 72.21 O ATOM 883 OD2 ASP A 60 2.115 8.820 6.548 1.00 43.32 O ATOM 0 H ASP A 60 -1.978 6.830 5.824 1.00 75.51 H new ATOM 0 HA ASP A 60 -0.799 9.412 5.416 1.00 51.34 H new ATOM 0 HB2 ASP A 60 0.156 7.260 6.531 1.00 32.33 H new ATOM 0 HB3 ASP A 60 0.458 6.693 4.900 1.00 32.33 H new ATOM 888 N LEU A 61 -1.241 7.453 2.785 1.00 72.32 N ATOM 889 CA LEU A 61 -1.254 7.417 1.314 1.00 10.41 C ATOM 890 C LEU A 61 -2.075 8.571 0.712 1.00 4.14 C ATOM 891 O LEU A 61 -1.596 9.297 -0.160 1.00 64.14 O ATOM 892 CB LEU A 61 -1.811 6.077 0.814 1.00 31.44 C ATOM 893 CG LEU A 61 -1.029 4.828 1.250 1.00 34.11 C ATOM 894 CD1 LEU A 61 -1.651 3.569 0.653 1.00 32.51 C ATOM 895 CD2 LEU A 61 0.441 4.945 0.859 1.00 31.32 C ATOM 0 H LEU A 61 -1.579 6.598 3.226 1.00 72.32 H new ATOM 0 HA LEU A 61 -0.221 7.532 0.985 1.00 10.41 H new ATOM 0 HB2 LEU A 61 -2.839 5.979 1.162 1.00 31.44 H new ATOM 0 HB3 LEU A 61 -1.844 6.101 -0.275 1.00 31.44 H new ATOM 0 HG LEU A 61 -1.084 4.753 2.336 1.00 34.11 H new ATOM 0 HD11 LEU A 61 -1.083 2.696 0.973 1.00 32.51 H new ATOM 0 HD12 LEU A 61 -2.682 3.476 0.993 1.00 32.51 H new ATOM 0 HD13 LEU A 61 -1.633 3.635 -0.435 1.00 32.51 H new ATOM 0 HD21 LEU A 61 0.975 4.050 1.178 1.00 31.32 H new ATOM 0 HD22 LEU A 61 0.522 5.050 -0.223 1.00 31.32 H new ATOM 0 HD23 LEU A 61 0.878 5.819 1.342 1.00 31.32 H new ATOM 907 N ASN A 62 -3.313 8.743 1.176 1.00 25.44 N ATOM 908 CA ASN A 62 -4.159 9.842 0.689 1.00 1.03 C ATOM 909 C ASN A 62 -3.630 11.203 1.177 1.00 31.23 C ATOM 910 O ASN A 62 -3.832 12.232 0.529 1.00 51.33 O ATOM 911 CB ASN A 62 -5.623 9.645 1.107 1.00 42.10 C ATOM 912 CG ASN A 62 -6.283 8.475 0.389 1.00 73.40 C ATOM 913 OD1 ASN A 62 -6.783 8.611 -0.724 1.00 53.22 O ATOM 914 ND2 ASN A 62 -6.308 7.323 1.023 1.00 22.14 N ATOM 0 H ASN A 62 -3.751 8.147 1.878 1.00 25.44 H new ATOM 0 HA ASN A 62 -4.118 9.833 -0.400 1.00 1.03 H new ATOM 0 HB2 ASN A 62 -5.671 9.480 2.183 1.00 42.10 H new ATOM 0 HB3 ASN A 62 -6.183 10.557 0.899 1.00 42.10 H new ATOM 0 HD21 ASN A 62 -6.751 6.512 0.591 1.00 22.14 H new ATOM 0 HD22 ASN A 62 -5.884 7.240 1.947 1.00 22.14 H new ATOM 921 N ALA A 63 -2.933 11.199 2.314 1.00 21.12 N ATOM 922 CA ALA A 63 -2.285 12.412 2.827 1.00 44.21 C ATOM 923 C ALA A 63 -1.170 12.889 1.879 1.00 3.21 C ATOM 924 O ALA A 63 -0.868 14.081 1.816 1.00 3.14 O ATOM 925 CB ALA A 63 -1.727 12.173 4.228 1.00 4.10 C ATOM 0 H ALA A 63 -2.801 10.373 2.898 1.00 21.12 H new ATOM 0 HA ALA A 63 -3.040 13.196 2.883 1.00 44.21 H new ATOM 0 HB1 ALA A 63 -1.251 13.084 4.590 1.00 4.10 H new ATOM 0 HB2 ALA A 63 -2.539 11.896 4.901 1.00 4.10 H new ATOM 0 HB3 ALA A 63 -0.993 11.368 4.195 1.00 4.10 H new ATOM 931 N LEU A 64 -0.564 11.949 1.147 1.00 70.11 N ATOM 932 CA LEU A 64 0.434 12.280 0.116 1.00 50.11 C ATOM 933 C LEU A 64 -0.195 13.100 -1.023 1.00 31.23 C ATOM 934 O LEU A 64 0.482 13.883 -1.689 1.00 30.12 O ATOM 935 CB LEU A 64 1.050 10.996 -0.463 1.00 30.20 C ATOM 936 CG LEU A 64 1.816 10.112 0.535 1.00 30.15 C ATOM 937 CD1 LEU A 64 2.197 8.780 -0.107 1.00 53.35 C ATOM 938 CD2 LEU A 64 3.057 10.835 1.060 1.00 25.54 C ATOM 0 H LEU A 64 -0.745 10.950 1.247 1.00 70.11 H new ATOM 0 HA LEU A 64 1.213 12.878 0.589 1.00 50.11 H new ATOM 0 HB2 LEU A 64 0.252 10.401 -0.908 1.00 30.20 H new ATOM 0 HB3 LEU A 64 1.729 11.273 -1.270 1.00 30.20 H new ATOM 0 HG LEU A 64 1.160 9.908 1.381 1.00 30.15 H new ATOM 0 HD11 LEU A 64 2.738 8.169 0.616 1.00 53.35 H new ATOM 0 HD12 LEU A 64 1.294 8.256 -0.421 1.00 53.35 H new ATOM 0 HD13 LEU A 64 2.831 8.962 -0.975 1.00 53.35 H new ATOM 0 HD21 LEU A 64 3.583 10.190 1.764 1.00 25.54 H new ATOM 0 HD22 LEU A 64 3.717 11.077 0.227 1.00 25.54 H new ATOM 0 HD23 LEU A 64 2.757 11.754 1.564 1.00 25.54 H new ATOM 950 N ALA A 65 -1.494 12.894 -1.249 1.00 24.10 N ATOM 951 CA ALA A 65 -2.229 13.620 -2.293 1.00 13.42 C ATOM 952 C ALA A 65 -2.800 14.946 -1.765 1.00 53.35 C ATOM 953 O ALA A 65 -2.654 15.996 -2.396 1.00 61.31 O ATOM 954 CB ALA A 65 -3.350 12.741 -2.845 1.00 2.55 C ATOM 0 H ALA A 65 -2.062 12.230 -0.723 1.00 24.10 H new ATOM 0 HA ALA A 65 -1.530 13.859 -3.094 1.00 13.42 H new ATOM 0 HB1 ALA A 65 -3.891 13.285 -3.619 1.00 2.55 H new ATOM 0 HB2 ALA A 65 -2.924 11.833 -3.271 1.00 2.55 H new ATOM 0 HB3 ALA A 65 -4.036 12.477 -2.040 1.00 2.55 H new ATOM 960 N LEU A 66 -3.447 14.884 -0.601 1.00 24.43 N ATOM 961 CA LEU A 66 -4.057 16.067 0.026 1.00 22.32 C ATOM 962 C LEU A 66 -2.996 17.041 0.576 1.00 21.43 C ATOM 963 O LEU A 66 -3.197 18.255 0.576 1.00 42.43 O ATOM 964 CB LEU A 66 -4.996 15.626 1.159 1.00 44.24 C ATOM 965 CG LEU A 66 -6.165 14.724 0.729 1.00 34.01 C ATOM 966 CD1 LEU A 66 -6.998 14.304 1.940 1.00 20.23 C ATOM 967 CD2 LEU A 66 -7.037 15.428 -0.308 1.00 71.14 C ATOM 0 H LEU A 66 -3.565 14.023 -0.067 1.00 24.43 H new ATOM 0 HA LEU A 66 -4.622 16.595 -0.742 1.00 22.32 H new ATOM 0 HB2 LEU A 66 -4.409 15.099 1.911 1.00 44.24 H new ATOM 0 HB3 LEU A 66 -5.403 16.516 1.639 1.00 44.24 H new ATOM 0 HG LEU A 66 -5.751 13.825 0.272 1.00 34.01 H new ATOM 0 HD11 LEU A 66 -7.820 13.667 1.613 1.00 20.23 H new ATOM 0 HD12 LEU A 66 -6.370 13.755 2.641 1.00 20.23 H new ATOM 0 HD13 LEU A 66 -7.400 15.191 2.430 1.00 20.23 H new ATOM 0 HD21 LEU A 66 -7.858 14.772 -0.598 1.00 71.14 H new ATOM 0 HD22 LEU A 66 -7.440 16.347 0.119 1.00 71.14 H new ATOM 0 HD23 LEU A 66 -6.437 15.668 -1.185 1.00 71.14 H new ATOM 979 N GLU A 67 -1.886 16.486 1.064 1.00 35.25 N ATOM 980 CA GLU A 67 -0.744 17.266 1.579 1.00 43.32 C ATOM 981 C GLU A 67 -1.132 18.304 2.654 1.00 45.40 C ATOM 982 O GLU A 67 -0.536 19.380 2.727 1.00 64.23 O ATOM 983 CB GLU A 67 0.004 17.955 0.427 1.00 2.04 C ATOM 984 CG GLU A 67 0.674 16.983 -0.539 1.00 54.02 C ATOM 985 CD GLU A 67 1.623 17.674 -1.506 1.00 63.53 C ATOM 986 OE1 GLU A 67 1.156 18.204 -2.532 1.00 21.40 O ATOM 987 OE2 GLU A 67 2.844 17.699 -1.237 1.00 42.02 O ATOM 0 H GLU A 67 -1.746 15.477 1.116 1.00 35.25 H new ATOM 0 HA GLU A 67 -0.089 16.545 2.069 1.00 43.32 H new ATOM 0 HB2 GLU A 67 -0.697 18.579 -0.128 1.00 2.04 H new ATOM 0 HB3 GLU A 67 0.761 18.619 0.843 1.00 2.04 H new ATOM 0 HG2 GLU A 67 1.224 16.234 0.030 1.00 54.02 H new ATOM 0 HG3 GLU A 67 -0.093 16.454 -1.105 1.00 54.02 H new ATOM 994 N HIS A 68 -2.097 17.973 3.510 1.00 32.32 N ATOM 995 CA HIS A 68 -2.443 18.846 4.640 1.00 44.25 C ATOM 996 C HIS A 68 -1.454 18.646 5.802 1.00 0.20 C ATOM 997 O HIS A 68 -1.672 17.818 6.685 1.00 40.02 O ATOM 998 CB HIS A 68 -3.885 18.594 5.115 1.00 64.03 C ATOM 999 CG HIS A 68 -4.931 19.121 4.178 1.00 11.33 C ATOM 1000 ND1 HIS A 68 -5.401 18.639 3.005 1.00 33.40 N flip ATOM 1001 CD2 HIS A 68 -5.632 20.283 4.415 1.00 0.14 C flip ATOM 1002 CE1 HIS A 68 -6.363 19.511 2.564 1.00 65.23 C flip ATOM 1003 NE2 HIS A 68 -6.484 20.493 3.432 1.00 62.21 N flip ATOM 0 H HIS A 68 -2.650 17.118 3.448 1.00 32.32 H new ATOM 0 HA HIS A 68 -2.375 19.878 4.297 1.00 44.25 H new ATOM 0 HB2 HIS A 68 -4.033 17.522 5.244 1.00 64.03 H new ATOM 0 HB3 HIS A 68 -4.021 19.055 6.093 1.00 64.03 H new ATOM 0 HD2 HIS A 68 -5.503 20.924 5.275 1.00 0.14 H new ATOM 0 HE1 HIS A 68 -6.930 19.408 1.651 1.00 65.23 H new ATOM 0 HE2 HIS A 68 -7.127 21.281 3.357 1.00 62.21 H new ATOM 1012 N HIS A 69 -0.347 19.390 5.771 1.00 23.10 N ATOM 1013 CA HIS A 69 0.689 19.293 6.810 1.00 2.01 C ATOM 1014 C HIS A 69 0.889 20.642 7.522 1.00 5.01 C ATOM 1015 O HIS A 69 1.367 21.605 6.922 1.00 71.11 O ATOM 1016 CB HIS A 69 2.018 18.834 6.196 1.00 43.25 C ATOM 1017 CG HIS A 69 1.946 17.500 5.512 1.00 2.35 C ATOM 1018 ND1 HIS A 69 2.175 17.327 4.163 1.00 25.02 N ATOM 1019 CD2 HIS A 69 1.687 16.266 6.000 1.00 65.32 C ATOM 1020 CE1 HIS A 69 2.061 16.053 3.857 1.00 40.12 C ATOM 1021 NE2 HIS A 69 1.767 15.383 4.950 1.00 20.43 N ATOM 0 H HIS A 69 -0.141 20.069 5.038 1.00 23.10 H new ATOM 0 HA HIS A 69 0.356 18.559 7.544 1.00 2.01 H new ATOM 0 HB2 HIS A 69 2.352 19.582 5.477 1.00 43.25 H new ATOM 0 HB3 HIS A 69 2.773 18.788 6.981 1.00 43.25 H new ATOM 0 HD2 HIS A 69 1.459 16.019 7.026 1.00 65.32 H new ATOM 0 HE1 HIS A 69 2.188 15.628 2.872 1.00 40.12 H new ATOM 0 HE2 HIS A 69 1.622 14.375 5.009 1.00 20.43 H new ATOM 1030 N HIS A 70 0.527 20.706 8.803 1.00 63.00 N ATOM 1031 CA HIS A 70 0.660 21.944 9.589 1.00 1.25 C ATOM 1032 C HIS A 70 1.177 21.685 11.014 1.00 14.10 C ATOM 1033 O HIS A 70 0.839 22.405 11.953 1.00 34.33 O ATOM 1034 CB HIS A 70 -0.678 22.697 9.618 1.00 62.30 C ATOM 1035 CG HIS A 70 -0.942 23.463 8.357 1.00 43.32 C ATOM 1036 ND1 HIS A 70 -1.755 23.007 7.343 1.00 14.33 N ATOM 1037 CD2 HIS A 70 -0.474 24.664 7.943 1.00 21.23 C ATOM 1038 CE1 HIS A 70 -1.774 23.887 6.364 1.00 51.14 C ATOM 1039 NE2 HIS A 70 -1.007 24.902 6.701 1.00 15.22 N ATOM 0 H HIS A 70 0.139 19.919 9.323 1.00 63.00 H new ATOM 0 HA HIS A 70 1.408 22.565 9.096 1.00 1.25 H new ATOM 0 HB2 HIS A 70 -1.487 21.985 9.781 1.00 62.30 H new ATOM 0 HB3 HIS A 70 -0.684 23.385 10.463 1.00 62.30 H new ATOM 0 HD2 HIS A 70 0.194 25.314 8.489 1.00 21.23 H new ATOM 0 HE1 HIS A 70 -2.326 23.792 5.440 1.00 51.14 H new ATOM 0 HE2 HIS A 70 -0.836 25.731 6.132 1.00 15.22 H new ATOM 1048 N HIS A 71 2.017 20.667 11.155 1.00 3.32 N ATOM 1049 CA HIS A 71 2.740 20.412 12.408 1.00 21.35 C ATOM 1050 C HIS A 71 4.193 20.012 12.127 1.00 34.45 C ATOM 1051 O HIS A 71 4.460 19.129 11.308 1.00 71.21 O ATOM 1052 CB HIS A 71 2.046 19.330 13.249 1.00 53.51 C ATOM 1053 CG HIS A 71 0.880 19.838 14.041 1.00 34.32 C ATOM 1054 ND1 HIS A 71 -0.258 19.097 14.270 1.00 65.31 N ATOM 1055 CD2 HIS A 71 0.691 21.016 14.688 1.00 15.10 C ATOM 1056 CE1 HIS A 71 -1.093 19.791 15.015 1.00 73.51 C ATOM 1057 NE2 HIS A 71 -0.541 20.954 15.282 1.00 52.33 N ATOM 0 H HIS A 71 2.220 19.996 10.414 1.00 3.32 H new ATOM 0 HA HIS A 71 2.736 21.339 12.981 1.00 21.35 H new ATOM 0 HB2 HIS A 71 1.706 18.532 12.589 1.00 53.51 H new ATOM 0 HB3 HIS A 71 2.774 18.891 13.931 1.00 53.51 H new ATOM 0 HD2 HIS A 71 1.382 21.845 14.727 1.00 15.10 H new ATOM 0 HE1 HIS A 71 -2.065 19.461 15.350 1.00 73.51 H new ATOM 0 HE2 HIS A 71 -0.964 21.693 15.843 1.00 52.33 H new ATOM 1066 N HIS A 72 5.127 20.677 12.794 1.00 41.24 N ATOM 1067 CA HIS A 72 6.551 20.385 12.626 1.00 42.41 C ATOM 1068 C HIS A 72 6.930 19.065 13.316 1.00 22.43 C ATOM 1069 O HIS A 72 7.142 19.028 14.528 1.00 40.24 O ATOM 1070 CB HIS A 72 7.392 21.541 13.181 1.00 34.51 C ATOM 1071 CG HIS A 72 8.868 21.355 13.002 1.00 52.41 C ATOM 1072 ND1 HIS A 72 9.516 21.624 11.818 1.00 2.21 N ATOM 1073 CD2 HIS A 72 9.827 20.929 13.861 1.00 2.34 C ATOM 1074 CE1 HIS A 72 10.802 21.372 11.952 1.00 3.13 C ATOM 1075 NE2 HIS A 72 11.019 20.950 13.181 1.00 42.24 N ATOM 0 H HIS A 72 4.927 21.424 13.459 1.00 41.24 H new ATOM 0 HA HIS A 72 6.756 20.276 11.561 1.00 42.41 H new ATOM 0 HB2 HIS A 72 7.090 22.466 12.690 1.00 34.51 H new ATOM 0 HB3 HIS A 72 7.176 21.658 14.243 1.00 34.51 H new ATOM 0 HD2 HIS A 72 9.680 20.629 14.888 1.00 2.34 H new ATOM 0 HE1 HIS A 72 11.552 21.491 11.184 1.00 3.13 H new ATOM 0 HE2 HIS A 72 11.925 20.682 13.565 1.00 42.24 H new ATOM 1084 N HIS A 73 7.011 17.989 12.536 1.00 54.33 N ATOM 1085 CA HIS A 73 7.338 16.657 13.066 1.00 42.45 C ATOM 1086 C HIS A 73 8.809 16.578 13.530 1.00 42.12 C ATOM 1087 O HIS A 73 9.710 16.410 12.671 1.00 37.64 O ATOM 1088 CB HIS A 73 7.054 15.578 12.006 1.00 2.30 C ATOM 1089 CG HIS A 73 7.124 14.178 12.542 1.00 74.03 C ATOM 1090 ND1 HIS A 73 8.304 13.481 12.694 1.00 52.34 N ATOM 1091 CD2 HIS A 73 6.147 13.346 12.975 1.00 74.04 C ATOM 1092 CE1 HIS A 73 8.050 12.287 13.193 1.00 65.22 C ATOM 1093 NE2 HIS A 73 6.751 12.180 13.372 1.00 51.53 N ATOM 1094 OXT HIS A 73 9.055 16.673 14.750 1.00 37.64 O ATOM 0 H HIS A 73 6.854 18.009 11.528 1.00 54.33 H new ATOM 0 HA HIS A 73 6.705 16.479 13.935 1.00 42.45 H new ATOM 0 HB2 HIS A 73 6.064 15.747 11.583 1.00 2.30 H new ATOM 0 HB3 HIS A 73 7.771 15.683 11.191 1.00 2.30 H new ATOM 0 HD2 HIS A 73 5.089 13.561 13.003 1.00 74.04 H new ATOM 0 HE1 HIS A 73 8.783 11.526 13.417 1.00 65.22 H new ATOM 0 HE2 HIS A 73 6.270 11.362 13.746 1.00 51.53 H new TER 1103 HIS A 73