USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 578 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= 0.17 USER MOD Set 2.2: A 24 THR OG1 : rot -111:sc= 0.114 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 99:sc= 0.641 USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= -0.0234 (180deg=-0.279) USER MOD Single : A 9 THR OG1 : rot 39:sc= 0.372 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= -1.56 (180deg=-1.6) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.658 K(o=-0.66,f=-5.5!) USER MOD Single : A 26 SER OG : rot -99:sc= 0.238 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.00134 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -139:sc= -0.467 (180deg=-0.614) USER MOD Single : A 47 SER OG : rot 95:sc= 0.487 USER MOD Single : A 48 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-1.3) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.076) USER MOD Single : A 68 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.102) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 1.509 13.381 7.909 1.00 0.00 N ATOM 15 CA ASP A 2 2.494 12.674 7.092 1.00 0.00 C ATOM 16 C ASP A 2 2.079 11.218 6.874 1.00 0.00 C ATOM 17 O ASP A 2 1.320 10.654 7.664 1.00 0.00 O ATOM 18 CB ASP A 2 3.873 12.738 7.759 1.00 0.00 C ATOM 19 CG ASP A 2 4.999 12.363 6.815 1.00 0.00 C ATOM 20 OD1 ASP A 2 5.466 13.249 6.068 1.00 0.00 O ATOM 21 OD2 ASP A 2 5.414 11.185 6.821 1.00 0.00 O ATOM 0 HA ASP A 2 2.546 13.162 6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.042 13.746 8.137 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.887 12.068 8.619 1.00 0.00 H new ATOM 26 N VAL A 3 2.582 10.619 5.794 1.00 0.00 N ATOM 27 CA VAL A 3 2.270 9.229 5.462 1.00 0.00 C ATOM 28 C VAL A 3 2.824 8.264 6.515 1.00 0.00 C ATOM 29 O VAL A 3 2.201 7.246 6.819 1.00 0.00 O ATOM 30 CB VAL A 3 2.819 8.842 4.069 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.342 8.790 4.070 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.233 7.513 3.612 1.00 0.00 C ATOM 0 H VAL A 3 3.209 11.077 5.133 1.00 0.00 H new ATOM 0 HA VAL A 3 1.183 9.147 5.446 1.00 0.00 H new ATOM 0 HB VAL A 3 2.514 9.614 3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.697 8.515 3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.739 9.769 4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.680 8.049 4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.631 7.258 2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.500 6.733 4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.148 7.595 3.553 1.00 0.00 H new ATOM 42 N TRP A 4 3.994 8.594 7.070 1.00 0.00 N ATOM 43 CA TRP A 4 4.621 7.757 8.088 1.00 0.00 C ATOM 44 C TRP A 4 3.971 8.001 9.449 1.00 0.00 C ATOM 45 O TRP A 4 3.739 7.059 10.210 1.00 0.00 O ATOM 46 CB TRP A 4 6.126 8.038 8.161 1.00 0.00 C ATOM 47 CG TRP A 4 6.954 6.815 8.425 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.735 5.862 9.378 1.00 0.00 C ATOM 49 CD2 TRP A 4 8.140 6.417 7.725 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.709 4.896 9.312 1.00 0.00 N ATOM 51 CE2 TRP A 4 8.583 5.215 8.306 1.00 0.00 C ATOM 52 CE3 TRP A 4 8.869 6.961 6.663 1.00 0.00 C ATOM 53 CZ2 TRP A 4 9.723 4.548 7.862 1.00 0.00 C ATOM 54 CZ3 TRP A 4 9.999 6.299 6.223 1.00 0.00 C ATOM 55 CH2 TRP A 4 10.416 5.102 6.822 1.00 0.00 C ATOM 0 H TRP A 4 4.522 9.433 6.830 1.00 0.00 H new ATOM 0 HA TRP A 4 4.476 6.712 7.813 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.449 8.489 7.223 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.313 8.769 8.947 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.915 5.867 10.081 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.772 4.075 9.914 1.00 0.00 H new ATOM 0 HE3 TRP A 4 8.554 7.882 6.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 10.047 3.627 8.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 10.571 6.710 5.404 1.00 0.00 H new ATOM 0 HH2 TRP A 4 11.303 4.607 6.454 1.00 0.00 H new ATOM 66 N SER A 5 3.678 9.271 9.752 1.00 0.00 N ATOM 67 CA SER A 5 3.020 9.629 11.009 1.00 0.00 C ATOM 68 C SER A 5 1.647 8.963 11.078 1.00 0.00 C ATOM 69 O SER A 5 1.317 8.300 12.062 1.00 0.00 O ATOM 70 CB SER A 5 2.874 11.151 11.125 1.00 0.00 C ATOM 71 OG SER A 5 4.141 11.781 11.230 1.00 0.00 O ATOM 0 H SER A 5 3.886 10.064 9.145 1.00 0.00 H new ATOM 0 HA SER A 5 3.632 9.278 11.840 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.345 11.536 10.253 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.270 11.396 11.999 1.00 0.00 H new ATOM 0 HG SER A 5 4.019 12.751 11.301 1.00 0.00 H new ATOM 77 N LEU A 6 0.855 9.148 10.019 1.00 0.00 N ATOM 78 CA LEU A 6 -0.479 8.562 9.938 1.00 0.00 C ATOM 79 C LEU A 6 -0.428 7.248 9.161 1.00 0.00 C ATOM 80 O LEU A 6 -0.606 7.227 7.942 1.00 0.00 O ATOM 81 CB LEU A 6 -1.453 9.539 9.266 1.00 0.00 C ATOM 82 CG LEU A 6 -1.568 10.913 9.933 1.00 0.00 C ATOM 83 CD1 LEU A 6 -2.499 11.816 9.137 1.00 0.00 C ATOM 84 CD2 LEU A 6 -2.058 10.774 11.368 1.00 0.00 C ATOM 0 H LEU A 6 1.119 9.702 9.204 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.834 8.360 10.949 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.143 9.681 8.231 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.442 9.081 9.242 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.578 11.368 9.952 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.569 12.788 9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.107 11.944 8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.489 11.363 9.086 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.133 11.761 11.824 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.038 10.297 11.373 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.354 10.165 11.935 1.00 0.00 H new ATOM 96 N SER A 7 -0.167 6.156 9.878 1.00 0.00 N ATOM 97 CA SER A 7 -0.075 4.833 9.262 1.00 0.00 C ATOM 98 C SER A 7 -1.094 3.844 9.843 1.00 0.00 C ATOM 99 O SER A 7 -1.012 2.642 9.584 1.00 0.00 O ATOM 100 CB SER A 7 1.343 4.279 9.420 1.00 0.00 C ATOM 101 OG SER A 7 2.275 5.039 8.670 1.00 0.00 O ATOM 0 H SER A 7 -0.015 6.161 10.887 1.00 0.00 H new ATOM 0 HA SER A 7 -0.309 4.952 8.204 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.625 4.288 10.473 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.369 3.240 9.092 1.00 0.00 H new ATOM 0 HG SER A 7 2.728 5.677 9.261 1.00 0.00 H new ATOM 107 N LYS A 8 -2.054 4.350 10.623 1.00 0.00 N ATOM 108 CA LYS A 8 -3.082 3.504 11.226 1.00 0.00 C ATOM 109 C LYS A 8 -4.403 3.585 10.452 1.00 0.00 C ATOM 110 O LYS A 8 -5.476 3.362 11.018 1.00 0.00 O ATOM 111 CB LYS A 8 -3.302 3.914 12.686 1.00 0.00 C ATOM 112 CG LYS A 8 -2.025 3.948 13.514 1.00 0.00 C ATOM 113 CD LYS A 8 -1.298 2.612 13.480 1.00 0.00 C ATOM 114 CE LYS A 8 0.025 2.673 14.232 1.00 0.00 C ATOM 115 NZ LYS A 8 0.984 3.626 13.603 1.00 0.00 N ATOM 0 H LYS A 8 -2.139 5.341 10.850 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.735 2.471 11.185 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.766 4.900 12.711 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.004 3.219 13.147 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.367 4.730 13.136 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.266 4.205 14.545 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.931 1.841 13.919 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.116 2.323 12.445 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.158 2.972 15.264 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.470 1.679 14.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.939 3.456 13.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.987 3.486 12.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.696 4.602 13.819 1.00 0.00 H new ATOM 129 N THR A 9 -4.320 3.887 9.152 1.00 0.00 N ATOM 130 CA THR A 9 -5.508 3.994 8.308 1.00 0.00 C ATOM 131 C THR A 9 -5.517 2.906 7.235 1.00 0.00 C ATOM 132 O THR A 9 -4.673 2.899 6.336 1.00 0.00 O ATOM 133 CB THR A 9 -5.598 5.378 7.632 1.00 0.00 C ATOM 134 OG1 THR A 9 -4.389 5.660 6.915 1.00 0.00 O ATOM 135 CG2 THR A 9 -5.844 6.468 8.664 1.00 0.00 C ATOM 0 H THR A 9 -3.441 4.061 8.664 1.00 0.00 H new ATOM 0 HA THR A 9 -6.373 3.865 8.958 1.00 0.00 H new ATOM 0 HB THR A 9 -6.435 5.360 6.934 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.069 4.843 6.480 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.904 7.435 8.165 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.780 6.270 9.186 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.024 6.481 9.382 1.00 0.00 H new ATOM 143 N SER A 10 -6.476 1.985 7.340 1.00 0.00 N ATOM 144 CA SER A 10 -6.596 0.886 6.382 1.00 0.00 C ATOM 145 C SER A 10 -7.598 1.222 5.279 1.00 0.00 C ATOM 146 O SER A 10 -8.375 2.172 5.395 1.00 0.00 O ATOM 147 CB SER A 10 -7.025 -0.402 7.093 1.00 0.00 C ATOM 148 OG SER A 10 -8.270 -0.237 7.752 1.00 0.00 O ATOM 0 H SER A 10 -7.180 1.978 8.078 1.00 0.00 H new ATOM 0 HA SER A 10 -5.617 0.736 5.927 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.100 -1.213 6.368 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.263 -0.691 7.817 1.00 0.00 H new ATOM 0 HG SER A 10 -8.519 -1.075 8.195 1.00 0.00 H new ATOM 154 N MET A 11 -7.571 0.430 4.208 1.00 0.00 N ATOM 155 CA MET A 11 -8.474 0.624 3.079 1.00 0.00 C ATOM 156 C MET A 11 -9.073 -0.708 2.641 1.00 0.00 C ATOM 157 O MET A 11 -8.352 -1.693 2.473 1.00 0.00 O ATOM 158 CB MET A 11 -7.734 1.276 1.909 1.00 0.00 C ATOM 159 CG MET A 11 -8.607 1.522 0.688 1.00 0.00 C ATOM 160 SD MET A 11 -9.955 2.675 1.013 1.00 0.00 S ATOM 161 CE MET A 11 -10.762 2.712 -0.585 1.00 0.00 C ATOM 0 H MET A 11 -6.929 -0.355 4.100 1.00 0.00 H new ATOM 0 HA MET A 11 -9.281 1.284 3.395 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.315 2.226 2.241 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.896 0.641 1.622 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.990 1.911 -0.122 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.021 0.573 0.346 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.619 3.384 -0.544 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.059 3.065 -1.340 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.100 1.709 -0.845 1.00 0.00 H new ATOM 171 N THR A 12 -10.389 -0.728 2.449 1.00 0.00 N ATOM 172 CA THR A 12 -11.084 -1.943 2.037 1.00 0.00 C ATOM 173 C THR A 12 -11.099 -2.081 0.518 1.00 0.00 C ATOM 174 O THR A 12 -11.575 -1.195 -0.195 1.00 0.00 O ATOM 175 CB THR A 12 -12.533 -1.980 2.567 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.536 -1.869 3.997 1.00 0.00 O ATOM 177 CG2 THR A 12 -13.234 -3.270 2.155 1.00 0.00 C ATOM 0 H THR A 12 -10.995 0.083 2.572 1.00 0.00 H new ATOM 0 HA THR A 12 -10.534 -2.779 2.468 1.00 0.00 H new ATOM 0 HB THR A 12 -13.073 -1.138 2.133 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.459 -1.892 4.325 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.253 -3.270 2.542 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.258 -3.339 1.067 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.692 -4.124 2.561 1.00 0.00 H new ATOM 185 N PHE A 13 -10.569 -3.203 0.036 1.00 0.00 N ATOM 186 CA PHE A 13 -10.528 -3.491 -1.391 1.00 0.00 C ATOM 187 C PHE A 13 -11.592 -4.520 -1.740 1.00 0.00 C ATOM 188 O PHE A 13 -11.917 -5.389 -0.931 1.00 0.00 O ATOM 189 CB PHE A 13 -9.141 -4.002 -1.794 1.00 0.00 C ATOM 190 CG PHE A 13 -8.076 -2.943 -1.759 1.00 0.00 C ATOM 191 CD1 PHE A 13 -8.368 -1.631 -2.105 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.783 -3.259 -1.383 1.00 0.00 C ATOM 193 CE1 PHE A 13 -7.389 -0.659 -2.075 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.800 -2.292 -1.351 1.00 0.00 C ATOM 195 CZ PHE A 13 -6.104 -0.989 -1.698 1.00 0.00 C ATOM 0 H PHE A 13 -10.159 -3.932 0.621 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.729 -2.572 -1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.855 -4.815 -1.127 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.195 -4.418 -2.800 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.373 -1.368 -2.401 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.540 -4.276 -1.111 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.629 0.359 -2.346 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.794 -2.552 -1.055 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.336 -0.230 -1.674 1.00 0.00 H new ATOM 205 N GLN A 14 -12.135 -4.415 -2.949 1.00 0.00 N ATOM 206 CA GLN A 14 -13.164 -5.337 -3.408 1.00 0.00 C ATOM 207 C GLN A 14 -12.724 -6.047 -4.686 1.00 0.00 C ATOM 208 O GLN A 14 -12.341 -5.405 -5.665 1.00 0.00 O ATOM 209 CB GLN A 14 -14.481 -4.593 -3.640 1.00 0.00 C ATOM 210 CG GLN A 14 -15.589 -5.469 -4.204 1.00 0.00 C ATOM 211 CD GLN A 14 -16.938 -4.775 -4.210 1.00 0.00 C ATOM 212 OE1 GLN A 14 -17.301 -4.107 -5.177 1.00 0.00 O ATOM 213 NE2 GLN A 14 -17.690 -4.928 -3.123 1.00 0.00 N ATOM 0 H GLN A 14 -11.878 -3.699 -3.628 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.318 -6.089 -2.634 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.816 -4.163 -2.696 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -14.303 -3.763 -4.324 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -15.332 -5.763 -5.222 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.658 -6.384 -3.616 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -17.350 -5.491 -2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -18.606 -4.482 -3.070 1.00 0.00 H new ATOM 222 N PRO A 15 -12.777 -7.392 -4.686 1.00 0.00 N ATOM 223 CA PRO A 15 -12.385 -8.201 -5.844 1.00 0.00 C ATOM 224 C PRO A 15 -13.314 -7.988 -7.036 1.00 0.00 C ATOM 225 O PRO A 15 -14.520 -7.793 -6.868 1.00 0.00 O ATOM 226 CB PRO A 15 -12.485 -9.640 -5.332 1.00 0.00 C ATOM 227 CG PRO A 15 -13.415 -9.581 -4.171 1.00 0.00 C ATOM 228 CD PRO A 15 -13.233 -8.223 -3.557 1.00 0.00 C ATOM 0 HA PRO A 15 -11.391 -7.938 -6.207 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.864 -10.307 -6.106 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.508 -10.020 -5.034 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -14.447 -9.729 -4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.189 -10.367 -3.451 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -14.164 -7.847 -3.132 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.499 -8.242 -2.751 1.00 0.00 H new ATOM 236 N LYS A 16 -12.745 -8.024 -8.241 1.00 0.00 N ATOM 237 CA LYS A 16 -13.523 -7.836 -9.462 1.00 0.00 C ATOM 238 C LYS A 16 -14.433 -9.039 -9.713 1.00 0.00 C ATOM 239 O LYS A 16 -15.567 -8.885 -10.171 1.00 0.00 O ATOM 240 CB LYS A 16 -12.594 -7.622 -10.663 1.00 0.00 C ATOM 241 CG LYS A 16 -11.661 -6.428 -10.514 1.00 0.00 C ATOM 242 CD LYS A 16 -12.425 -5.135 -10.279 1.00 0.00 C ATOM 243 CE LYS A 16 -11.478 -3.977 -10.001 1.00 0.00 C ATOM 244 NZ LYS A 16 -12.208 -2.714 -9.699 1.00 0.00 N ATOM 0 H LYS A 16 -11.749 -8.182 -8.396 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.144 -6.949 -9.335 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.997 -8.521 -10.813 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -13.200 -7.488 -11.559 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.979 -6.602 -9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.051 -6.331 -11.412 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.036 -4.907 -11.153 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.107 -5.260 -9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.832 -4.231 -9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.831 -3.823 -10.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.524 -1.953 -9.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.805 -2.455 -10.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.806 -2.851 -8.859 1.00 0.00 H new ATOM 258 N LYS A 17 -13.924 -10.235 -9.406 1.00 0.00 N ATOM 259 CA LYS A 17 -14.678 -11.472 -9.595 1.00 0.00 C ATOM 260 C LYS A 17 -14.873 -12.207 -8.268 1.00 0.00 C ATOM 261 O LYS A 17 -14.169 -11.941 -7.289 1.00 0.00 O ATOM 262 CB LYS A 17 -13.969 -12.383 -10.607 1.00 0.00 C ATOM 263 CG LYS A 17 -12.523 -12.695 -10.250 1.00 0.00 C ATOM 264 CD LYS A 17 -11.800 -13.376 -11.405 1.00 0.00 C ATOM 265 CE LYS A 17 -10.303 -13.479 -11.151 1.00 0.00 C ATOM 266 NZ LYS A 17 -9.974 -14.521 -10.138 1.00 0.00 N ATOM 0 H LYS A 17 -12.988 -10.370 -9.024 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.661 -11.209 -9.986 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.523 -13.318 -10.689 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.996 -11.910 -11.588 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.004 -11.773 -9.987 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.494 -13.339 -9.371 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.213 -14.374 -11.555 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.975 -12.817 -12.324 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.793 -13.710 -12.086 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.926 -12.514 -10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.968 -14.453 -9.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.556 -14.375 -9.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.169 -15.463 -10.533 1.00 0.00 H new ATOM 280 N ALA A 18 -15.835 -13.130 -8.244 1.00 0.00 N ATOM 281 CA ALA A 18 -16.134 -13.910 -7.041 1.00 0.00 C ATOM 282 C ALA A 18 -14.910 -14.682 -6.547 1.00 0.00 C ATOM 283 O ALA A 18 -14.699 -14.811 -5.339 1.00 0.00 O ATOM 284 CB ALA A 18 -17.288 -14.868 -7.305 1.00 0.00 C ATOM 0 H ALA A 18 -16.423 -13.357 -9.046 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.422 -13.209 -6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.499 -15.441 -6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -18.174 -14.301 -7.590 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -17.018 -15.549 -8.112 1.00 0.00 H new ATOM 290 N SER A 19 -14.109 -15.193 -7.486 1.00 0.00 N ATOM 291 CA SER A 19 -12.905 -15.955 -7.147 1.00 0.00 C ATOM 292 C SER A 19 -11.954 -15.136 -6.269 1.00 0.00 C ATOM 293 O SER A 19 -11.371 -15.666 -5.321 1.00 0.00 O ATOM 294 CB SER A 19 -12.189 -16.406 -8.422 1.00 0.00 C ATOM 295 OG SER A 19 -10.988 -17.097 -8.118 1.00 0.00 O ATOM 0 H SER A 19 -14.273 -15.092 -8.488 1.00 0.00 H new ATOM 0 HA SER A 19 -13.213 -16.833 -6.579 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.847 -17.053 -9.002 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.966 -15.539 -9.043 1.00 0.00 H new ATOM 0 HG SER A 19 -10.551 -17.375 -8.950 1.00 0.00 H new ATOM 301 N LEU A 20 -11.804 -13.849 -6.585 1.00 0.00 N ATOM 302 CA LEU A 20 -10.926 -12.966 -5.822 1.00 0.00 C ATOM 303 C LEU A 20 -11.543 -12.608 -4.470 1.00 0.00 C ATOM 304 O LEU A 20 -12.760 -12.684 -4.291 1.00 0.00 O ATOM 305 CB LEU A 20 -10.627 -11.693 -6.619 1.00 0.00 C ATOM 306 CG LEU A 20 -9.799 -11.899 -7.890 1.00 0.00 C ATOM 307 CD1 LEU A 20 -9.635 -10.585 -8.638 1.00 0.00 C ATOM 308 CD2 LEU A 20 -8.438 -12.495 -7.555 1.00 0.00 C ATOM 0 H LEU A 20 -12.280 -13.396 -7.365 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.992 -13.498 -5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.572 -11.224 -6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.100 -10.993 -5.971 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.330 -12.600 -8.534 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.044 -10.750 -9.539 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.616 -10.198 -8.914 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.127 -9.863 -7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.866 -12.633 -8.472 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.899 -11.821 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.574 -13.458 -7.063 1.00 0.00 H new ATOM 320 N GLN A 21 -10.689 -12.219 -3.524 1.00 0.00 N ATOM 321 CA GLN A 21 -11.132 -11.858 -2.178 1.00 0.00 C ATOM 322 C GLN A 21 -10.766 -10.412 -1.834 1.00 0.00 C ATOM 323 O GLN A 21 -9.771 -9.881 -2.332 1.00 0.00 O ATOM 324 CB GLN A 21 -10.520 -12.809 -1.142 1.00 0.00 C ATOM 325 CG GLN A 21 -8.998 -12.743 -1.059 1.00 0.00 C ATOM 326 CD GLN A 21 -8.301 -13.725 -1.988 1.00 0.00 C ATOM 327 OE1 GLN A 21 -8.825 -14.090 -3.041 1.00 0.00 O ATOM 328 NE2 GLN A 21 -7.106 -14.156 -1.601 1.00 0.00 N ATOM 0 H GLN A 21 -9.682 -12.146 -3.666 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.218 -11.948 -2.155 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.937 -12.578 -0.162 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.816 -13.830 -1.382 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.672 -11.731 -1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.688 -12.942 -0.033 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.706 -13.829 -0.721 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.588 -14.814 -2.184 1.00 0.00 H new ATOM 337 N PRO A 22 -11.573 -9.757 -0.974 1.00 0.00 N ATOM 338 CA PRO A 22 -11.328 -8.371 -0.543 1.00 0.00 C ATOM 339 C PRO A 22 -10.051 -8.243 0.290 1.00 0.00 C ATOM 340 O PRO A 22 -9.486 -9.247 0.729 1.00 0.00 O ATOM 341 CB PRO A 22 -12.560 -8.031 0.311 1.00 0.00 C ATOM 342 CG PRO A 22 -13.576 -9.063 -0.044 1.00 0.00 C ATOM 343 CD PRO A 22 -12.798 -10.301 -0.368 1.00 0.00 C ATOM 0 HA PRO A 22 -11.188 -7.702 -1.392 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.323 -8.061 1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -12.925 -7.027 0.094 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.263 -9.238 0.784 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.177 -8.744 -0.895 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.583 -10.890 0.523 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.338 -10.951 -1.057 1.00 0.00 H new ATOM 351 N LEU A 23 -9.600 -7.005 0.506 1.00 0.00 N ATOM 352 CA LEU A 23 -8.387 -6.762 1.285 1.00 0.00 C ATOM 353 C LEU A 23 -8.484 -5.455 2.068 1.00 0.00 C ATOM 354 O LEU A 23 -8.605 -4.378 1.483 1.00 0.00 O ATOM 355 CB LEU A 23 -7.165 -6.729 0.363 1.00 0.00 C ATOM 356 CG LEU A 23 -5.815 -6.992 1.044 1.00 0.00 C ATOM 357 CD1 LEU A 23 -4.717 -7.145 0.004 1.00 0.00 C ATOM 358 CD2 LEU A 23 -5.470 -5.874 2.018 1.00 0.00 C ATOM 0 H LEU A 23 -10.054 -6.162 0.155 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.278 -7.578 1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.305 -7.470 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.124 -5.753 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.895 -7.922 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.766 -7.331 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.952 -7.983 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.644 -6.231 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.509 -6.084 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.412 -4.928 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.242 -5.809 2.785 1.00 0.00 H new ATOM 370 N THR A 24 -8.421 -5.561 3.394 1.00 0.00 N ATOM 371 CA THR A 24 -8.495 -4.390 4.264 1.00 0.00 C ATOM 372 C THR A 24 -7.272 -4.312 5.179 1.00 0.00 C ATOM 373 O THR A 24 -7.275 -4.864 6.282 1.00 0.00 O ATOM 374 CB THR A 24 -9.781 -4.396 5.117 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.928 -4.562 4.274 1.00 0.00 O ATOM 376 CG2 THR A 24 -9.918 -3.102 5.909 1.00 0.00 C ATOM 0 H THR A 24 -8.319 -6.447 3.889 1.00 0.00 H new ATOM 0 HA THR A 24 -8.515 -3.512 3.618 1.00 0.00 H new ATOM 0 HB THR A 24 -9.717 -5.228 5.818 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.445 -3.730 4.257 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.833 -3.133 6.501 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.060 -2.989 6.572 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.959 -2.257 5.221 1.00 0.00 H new ATOM 384 N ILE A 25 -6.223 -3.636 4.707 1.00 0.00 N ATOM 385 CA ILE A 25 -4.985 -3.506 5.473 1.00 0.00 C ATOM 386 C ILE A 25 -4.501 -2.054 5.527 1.00 0.00 C ATOM 387 O ILE A 25 -4.811 -1.252 4.644 1.00 0.00 O ATOM 388 CB ILE A 25 -3.871 -4.399 4.875 1.00 0.00 C ATOM 389 CG1 ILE A 25 -2.685 -4.506 5.837 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.418 -3.862 3.523 1.00 0.00 C ATOM 391 CD1 ILE A 25 -3.000 -5.267 7.106 1.00 0.00 C ATOM 0 H ILE A 25 -6.207 -3.171 3.799 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.204 -3.834 6.489 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.281 -5.398 4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.857 -4.996 5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.349 -3.503 6.099 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.635 -4.504 3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.264 -3.847 2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.031 -2.850 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.113 -5.302 7.739 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.807 -4.766 7.640 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.307 -6.282 6.855 1.00 0.00 H new ATOM 403 N SER A 26 -3.737 -1.731 6.573 1.00 0.00 N ATOM 404 CA SER A 26 -3.206 -0.382 6.758 1.00 0.00 C ATOM 405 C SER A 26 -1.684 -0.344 6.584 1.00 0.00 C ATOM 406 O SER A 26 -1.025 -1.384 6.508 1.00 0.00 O ATOM 407 CB SER A 26 -3.584 0.134 8.151 1.00 0.00 C ATOM 408 OG SER A 26 -3.153 1.469 8.340 1.00 0.00 O ATOM 0 H SER A 26 -3.473 -2.389 7.306 1.00 0.00 H new ATOM 0 HA SER A 26 -3.644 0.260 5.994 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.665 0.077 8.281 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.137 -0.506 8.912 1.00 0.00 H new ATOM 0 HG SER A 26 -2.318 1.474 8.853 1.00 0.00 H new ATOM 414 N LEU A 27 -1.142 0.875 6.521 1.00 0.00 N ATOM 415 CA LEU A 27 0.299 1.102 6.368 1.00 0.00 C ATOM 416 C LEU A 27 1.103 0.397 7.463 1.00 0.00 C ATOM 417 O LEU A 27 1.861 -0.532 7.186 1.00 0.00 O ATOM 418 CB LEU A 27 0.598 2.607 6.414 1.00 0.00 C ATOM 419 CG LEU A 27 -0.150 3.455 5.381 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.308 4.904 5.449 1.00 0.00 C ATOM 421 CD2 LEU A 27 0.048 2.896 3.979 1.00 0.00 C ATOM 0 H LEU A 27 -1.690 1.734 6.575 1.00 0.00 H new ATOM 0 HA LEU A 27 0.596 0.688 5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.355 2.979 7.409 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.669 2.752 6.272 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.214 3.418 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.234 5.492 4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.109 5.302 6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.377 4.958 5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.492 3.514 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.110 2.898 3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.332 1.875 3.937 1.00 0.00 H new ATOM 433 N ASP A 28 0.914 0.838 8.706 1.00 0.00 N ATOM 434 CA ASP A 28 1.635 0.282 9.850 1.00 0.00 C ATOM 435 C ASP A 28 1.348 -1.209 10.033 1.00 0.00 C ATOM 436 O ASP A 28 2.220 -1.966 10.466 1.00 0.00 O ATOM 437 CB ASP A 28 1.258 1.042 11.125 1.00 0.00 C ATOM 438 CG ASP A 28 2.118 0.654 12.314 1.00 0.00 C ATOM 439 OD1 ASP A 28 3.212 1.235 12.469 1.00 0.00 O ATOM 440 OD2 ASP A 28 1.695 -0.228 13.090 1.00 0.00 O ATOM 0 H ASP A 28 0.262 1.585 8.947 1.00 0.00 H new ATOM 0 HA ASP A 28 2.701 0.395 9.655 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.354 2.113 10.946 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.211 0.851 11.361 1.00 0.00 H new ATOM 445 N GLU A 29 0.129 -1.627 9.697 1.00 0.00 N ATOM 446 CA GLU A 29 -0.274 -3.022 9.839 1.00 0.00 C ATOM 447 C GLU A 29 0.242 -3.903 8.692 1.00 0.00 C ATOM 448 O GLU A 29 0.037 -5.118 8.711 1.00 0.00 O ATOM 449 CB GLU A 29 -1.803 -3.111 9.923 1.00 0.00 C ATOM 450 CG GLU A 29 -2.322 -4.467 10.381 1.00 0.00 C ATOM 451 CD GLU A 29 -1.790 -4.872 11.744 1.00 0.00 C ATOM 452 OE1 GLU A 29 -2.407 -4.488 12.761 1.00 0.00 O ATOM 453 OE2 GLU A 29 -0.757 -5.572 11.794 1.00 0.00 O ATOM 0 H GLU A 29 -0.598 -1.016 9.324 1.00 0.00 H new ATOM 0 HA GLU A 29 0.174 -3.400 10.758 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.164 -2.345 10.610 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.224 -2.885 8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.411 -4.441 10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.043 -5.224 9.648 1.00 0.00 H new ATOM 460 N LEU A 30 0.916 -3.309 7.696 1.00 0.00 N ATOM 461 CA LEU A 30 1.423 -4.092 6.569 1.00 0.00 C ATOM 462 C LEU A 30 2.925 -3.881 6.310 1.00 0.00 C ATOM 463 O LEU A 30 3.453 -4.374 5.312 1.00 0.00 O ATOM 464 CB LEU A 30 0.619 -3.776 5.303 1.00 0.00 C ATOM 465 CG LEU A 30 0.831 -4.735 4.127 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.477 -6.161 4.523 1.00 0.00 C ATOM 467 CD2 LEU A 30 0.004 -4.292 2.930 1.00 0.00 C ATOM 0 H LEU A 30 1.118 -2.310 7.650 1.00 0.00 H new ATOM 0 HA LEU A 30 1.298 -5.141 6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.441 -3.772 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.872 -2.767 4.976 1.00 0.00 H new ATOM 0 HG LEU A 30 1.885 -4.712 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.635 -6.825 3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.110 -6.476 5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.568 -6.205 4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.164 -4.982 2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.052 -4.287 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.307 -3.289 2.630 1.00 0.00 H new ATOM 479 N PHE A 31 3.617 -3.174 7.213 1.00 0.00 N ATOM 480 CA PHE A 31 5.057 -2.955 7.035 1.00 0.00 C ATOM 481 C PHE A 31 5.816 -3.177 8.342 1.00 0.00 C ATOM 482 O PHE A 31 5.336 -2.815 9.418 1.00 0.00 O ATOM 483 CB PHE A 31 5.356 -1.559 6.468 1.00 0.00 C ATOM 484 CG PHE A 31 4.572 -1.220 5.229 1.00 0.00 C ATOM 485 CD1 PHE A 31 4.638 -2.025 4.104 1.00 0.00 C ATOM 486 CD2 PHE A 31 3.765 -0.095 5.195 1.00 0.00 C ATOM 487 CE1 PHE A 31 3.911 -1.716 2.970 1.00 0.00 C ATOM 488 CE2 PHE A 31 3.038 0.220 4.064 1.00 0.00 C ATOM 489 CZ PHE A 31 3.110 -0.593 2.951 1.00 0.00 C ATOM 0 H PHE A 31 3.216 -2.754 8.052 1.00 0.00 H new ATOM 0 HA PHE A 31 5.404 -3.690 6.308 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.144 -0.814 7.235 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.420 -1.490 6.242 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.265 -2.904 4.113 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.704 0.544 6.064 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.970 -2.353 2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.414 1.101 4.050 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.540 -0.350 2.066 1.00 0.00 H new ATOM 499 N SER A 32 7.006 -3.772 8.238 1.00 0.00 N ATOM 500 CA SER A 32 7.834 -4.049 9.413 1.00 0.00 C ATOM 501 C SER A 32 9.294 -3.646 9.170 1.00 0.00 C ATOM 502 O SER A 32 10.214 -4.298 9.671 1.00 0.00 O ATOM 503 CB SER A 32 7.767 -5.546 9.731 1.00 0.00 C ATOM 504 OG SER A 32 6.442 -5.944 10.041 1.00 0.00 O ATOM 0 H SER A 32 7.417 -4.071 7.354 1.00 0.00 H new ATOM 0 HA SER A 32 7.453 -3.465 10.251 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.132 -6.119 8.878 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.424 -5.772 10.571 1.00 0.00 H new ATOM 0 HG SER A 32 6.426 -6.904 10.238 1.00 0.00 H new ATOM 510 N SER A 33 9.505 -2.564 8.417 1.00 0.00 N ATOM 511 CA SER A 33 10.858 -2.092 8.119 1.00 0.00 C ATOM 512 C SER A 33 10.846 -0.662 7.581 1.00 0.00 C ATOM 513 O SER A 33 10.017 -0.317 6.736 1.00 0.00 O ATOM 514 CB SER A 33 11.535 -3.026 7.110 1.00 0.00 C ATOM 515 OG SER A 33 12.792 -2.514 6.697 1.00 0.00 O ATOM 0 H SER A 33 8.761 -2.001 8.005 1.00 0.00 H new ATOM 0 HA SER A 33 11.424 -2.097 9.050 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.670 -4.011 7.557 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.890 -3.156 6.241 1.00 0.00 H new ATOM 0 HG SER A 33 13.202 -3.131 6.055 1.00 0.00 H new ATOM 521 N ARG A 34 11.772 0.166 8.071 1.00 0.00 N ATOM 522 CA ARG A 34 11.870 1.554 7.617 1.00 0.00 C ATOM 523 C ARG A 34 12.282 1.611 6.145 1.00 0.00 C ATOM 524 O ARG A 34 11.736 2.403 5.376 1.00 0.00 O ATOM 525 CB ARG A 34 12.858 2.352 8.482 1.00 0.00 C ATOM 526 CG ARG A 34 14.273 1.788 8.503 1.00 0.00 C ATOM 527 CD ARG A 34 15.196 2.643 9.358 1.00 0.00 C ATOM 528 NE ARG A 34 16.543 2.078 9.451 1.00 0.00 N ATOM 529 CZ ARG A 34 17.562 2.673 10.077 1.00 0.00 C ATOM 530 NH1 ARG A 34 17.399 3.856 10.664 1.00 0.00 N ATOM 531 NH2 ARG A 34 18.752 2.081 10.113 1.00 0.00 N ATOM 0 H ARG A 34 12.459 -0.098 8.777 1.00 0.00 H new ATOM 0 HA ARG A 34 10.886 2.010 7.721 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.894 3.379 8.117 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.480 2.390 9.504 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.255 0.769 8.890 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.661 1.735 7.486 1.00 0.00 H new ATOM 0 HD2 ARG A 34 15.253 3.647 8.937 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.775 2.741 10.359 1.00 0.00 H new ATOM 0 HE ARG A 34 16.714 1.174 9.011 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.489 4.317 10.639 1.00 0.00 H new ATOM 0 HH12 ARG A 34 18.184 4.302 11.139 1.00 0.00 H new ATOM 0 HH21 ARG A 34 18.885 1.175 9.663 1.00 0.00 H new ATOM 0 HH22 ARG A 34 19.532 2.533 10.590 1.00 0.00 H new ATOM 545 N GLY A 35 13.244 0.764 5.761 1.00 0.00 N ATOM 546 CA GLY A 35 13.692 0.720 4.378 1.00 0.00 C ATOM 547 C GLY A 35 12.612 0.190 3.457 1.00 0.00 C ATOM 548 O GLY A 35 12.457 0.672 2.333 1.00 0.00 O ATOM 0 H GLY A 35 13.718 0.110 6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.985 1.720 4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.577 0.089 4.302 1.00 0.00 H new ATOM 552 N GLU A 36 11.867 -0.814 3.931 1.00 0.00 N ATOM 553 CA GLU A 36 10.772 -1.390 3.159 1.00 0.00 C ATOM 554 C GLU A 36 9.742 -0.307 2.841 1.00 0.00 C ATOM 555 O GLU A 36 9.216 -0.249 1.729 1.00 0.00 O ATOM 556 CB GLU A 36 10.114 -2.537 3.931 1.00 0.00 C ATOM 557 CG GLU A 36 8.911 -3.147 3.227 1.00 0.00 C ATOM 558 CD GLU A 36 9.275 -3.843 1.928 1.00 0.00 C ATOM 559 OE1 GLU A 36 9.327 -3.162 0.882 1.00 0.00 O ATOM 560 OE2 GLU A 36 9.507 -5.069 1.957 1.00 0.00 O ATOM 0 H GLU A 36 12.006 -1.242 4.847 1.00 0.00 H new ATOM 0 HA GLU A 36 11.171 -1.790 2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.855 -3.317 4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.803 -2.171 4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.431 -3.863 3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.181 -2.364 3.021 1.00 0.00 H new ATOM 567 N PHE A 37 9.467 0.549 3.834 1.00 0.00 N ATOM 568 CA PHE A 37 8.524 1.654 3.669 1.00 0.00 C ATOM 569 C PHE A 37 8.970 2.551 2.513 1.00 0.00 C ATOM 570 O PHE A 37 8.152 2.998 1.709 1.00 0.00 O ATOM 571 CB PHE A 37 8.427 2.465 4.966 1.00 0.00 C ATOM 572 CG PHE A 37 7.208 3.342 5.051 1.00 0.00 C ATOM 573 CD1 PHE A 37 5.984 2.814 5.433 1.00 0.00 C ATOM 574 CD2 PHE A 37 7.287 4.695 4.754 1.00 0.00 C ATOM 575 CE1 PHE A 37 4.863 3.617 5.517 1.00 0.00 C ATOM 576 CE2 PHE A 37 6.167 5.502 4.838 1.00 0.00 C ATOM 577 CZ PHE A 37 4.954 4.962 5.219 1.00 0.00 C ATOM 0 H PHE A 37 9.888 0.494 4.762 1.00 0.00 H new ATOM 0 HA PHE A 37 7.539 1.248 3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.427 1.778 5.812 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.317 3.087 5.060 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.906 1.763 5.668 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.233 5.122 4.454 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.916 3.193 5.816 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.241 6.554 4.606 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.078 5.591 5.284 1.00 0.00 H new ATOM 587 N ILE A 38 10.276 2.829 2.454 1.00 0.00 N ATOM 588 CA ILE A 38 10.846 3.645 1.385 1.00 0.00 C ATOM 589 C ILE A 38 10.529 3.058 0.009 1.00 0.00 C ATOM 590 O ILE A 38 10.020 3.764 -0.865 1.00 0.00 O ATOM 591 CB ILE A 38 12.381 3.781 1.537 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.730 4.432 2.881 1.00 0.00 C ATOM 593 CG2 ILE A 38 12.967 4.589 0.385 1.00 0.00 C ATOM 594 CD1 ILE A 38 12.049 5.766 3.112 1.00 0.00 C ATOM 0 H ILE A 38 10.957 2.499 3.137 1.00 0.00 H new ATOM 0 HA ILE A 38 10.391 4.632 1.466 1.00 0.00 H new ATOM 0 HB ILE A 38 12.818 2.783 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.455 3.751 3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.810 4.572 2.936 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.046 4.673 0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.750 4.088 -0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.524 5.585 0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.346 6.163 4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.343 6.465 2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.968 5.631 3.090 1.00 0.00 H new ATOM 606 N SER A 39 10.832 1.766 -0.184 1.00 0.00 N ATOM 607 CA SER A 39 10.573 1.110 -1.467 1.00 0.00 C ATOM 608 C SER A 39 9.082 1.155 -1.792 1.00 0.00 C ATOM 609 O SER A 39 8.681 1.810 -2.755 1.00 0.00 O ATOM 610 CB SER A 39 11.079 -0.336 -1.455 1.00 0.00 C ATOM 611 OG SER A 39 12.484 -0.386 -1.268 1.00 0.00 O ATOM 0 H SER A 39 11.251 1.164 0.524 1.00 0.00 H new ATOM 0 HA SER A 39 11.116 1.649 -2.243 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.583 -0.891 -0.658 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.817 -0.824 -2.394 1.00 0.00 H new ATOM 0 HG SER A 39 12.780 -1.320 -1.263 1.00 0.00 H new ATOM 617 N VAL A 40 8.271 0.436 -1.000 1.00 0.00 N ATOM 618 CA VAL A 40 6.818 0.362 -1.210 1.00 0.00 C ATOM 619 C VAL A 40 6.207 1.647 -1.771 1.00 0.00 C ATOM 620 O VAL A 40 5.326 1.579 -2.630 1.00 0.00 O ATOM 621 CB VAL A 40 6.058 -0.049 0.074 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.434 -1.463 0.490 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.315 0.930 1.207 1.00 0.00 C ATOM 0 H VAL A 40 8.602 -0.106 -0.202 1.00 0.00 H new ATOM 0 HA VAL A 40 6.696 -0.416 -1.964 1.00 0.00 H new ATOM 0 HB VAL A 40 4.991 -0.026 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.889 -1.733 1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.177 -2.158 -0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.506 -1.513 0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.767 0.612 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.382 0.957 1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.981 1.925 0.911 1.00 0.00 H new ATOM 633 N GLY A 41 6.656 2.816 -1.301 1.00 0.00 N ATOM 634 CA GLY A 41 6.115 4.070 -1.799 1.00 0.00 C ATOM 635 C GLY A 41 5.773 5.042 -0.680 1.00 0.00 C ATOM 636 O GLY A 41 4.746 5.718 -0.739 1.00 0.00 O ATOM 0 H GLY A 41 7.380 2.913 -0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.839 4.533 -2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.220 3.868 -2.387 1.00 0.00 H new ATOM 640 N GLY A 42 6.642 5.127 0.333 1.00 0.00 N ATOM 641 CA GLY A 42 6.393 6.015 1.455 1.00 0.00 C ATOM 642 C GLY A 42 7.461 7.078 1.625 1.00 0.00 C ATOM 643 O GLY A 42 8.497 6.832 2.246 1.00 0.00 O ATOM 0 H GLY A 42 7.511 4.596 0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.426 6.499 1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.328 5.425 2.369 1.00 0.00 H new ATOM 647 N ASP A 43 7.202 8.260 1.073 1.00 0.00 N ATOM 648 CA ASP A 43 8.113 9.392 1.214 1.00 0.00 C ATOM 649 C ASP A 43 7.665 10.221 2.420 1.00 0.00 C ATOM 650 O ASP A 43 8.217 10.076 3.511 1.00 0.00 O ATOM 651 CB ASP A 43 8.125 10.240 -0.063 1.00 0.00 C ATOM 652 CG ASP A 43 8.736 9.506 -1.241 1.00 0.00 C ATOM 653 OD1 ASP A 43 7.996 8.767 -1.929 1.00 0.00 O ATOM 654 OD2 ASP A 43 9.952 9.665 -1.475 1.00 0.00 O ATOM 0 H ASP A 43 6.367 8.459 0.523 1.00 0.00 H new ATOM 0 HA ASP A 43 9.130 9.034 1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.105 10.533 -0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.684 11.158 0.119 1.00 0.00 H new ATOM 659 N GLY A 44 6.668 11.088 2.226 1.00 0.00 N ATOM 660 CA GLY A 44 6.185 11.915 3.318 1.00 0.00 C ATOM 661 C GLY A 44 4.749 12.361 3.132 1.00 0.00 C ATOM 662 O GLY A 44 3.849 11.856 3.801 1.00 0.00 O ATOM 0 H GLY A 44 6.191 11.230 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.269 11.359 4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.823 12.794 3.411 1.00 0.00 H new ATOM 666 N ARG A 45 4.531 13.307 2.223 1.00 0.00 N ATOM 667 CA ARG A 45 3.190 13.821 1.964 1.00 0.00 C ATOM 668 C ARG A 45 2.471 12.963 0.929 1.00 0.00 C ATOM 669 O ARG A 45 2.623 13.166 -0.278 1.00 0.00 O ATOM 670 CB ARG A 45 3.251 15.280 1.494 1.00 0.00 C ATOM 671 CG ARG A 45 3.756 16.253 2.554 1.00 0.00 C ATOM 672 CD ARG A 45 5.250 16.097 2.811 1.00 0.00 C ATOM 673 NE ARG A 45 6.042 16.246 1.588 1.00 0.00 N ATOM 674 CZ ARG A 45 7.244 15.695 1.402 1.00 0.00 C ATOM 675 NH1 ARG A 45 7.807 14.957 2.356 1.00 0.00 N ATOM 676 NH2 ARG A 45 7.888 15.883 0.254 1.00 0.00 N ATOM 0 H ARG A 45 5.264 13.732 1.655 1.00 0.00 H new ATOM 0 HA ARG A 45 2.628 13.779 2.897 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.899 15.342 0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.256 15.590 1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.548 17.275 2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.210 16.091 3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.570 16.840 3.542 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.441 15.117 3.248 1.00 0.00 H new ATOM 0 HE ARG A 45 5.651 16.806 0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.320 14.808 3.240 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.726 14.541 2.203 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.464 16.447 -0.482 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.806 15.463 0.110 1.00 0.00 H new ATOM 690 N MET A 46 1.694 11.992 1.414 1.00 0.00 N ATOM 691 CA MET A 46 0.946 11.096 0.534 1.00 0.00 C ATOM 692 C MET A 46 -0.427 11.682 0.203 1.00 0.00 C ATOM 693 O MET A 46 -0.847 12.677 0.799 1.00 0.00 O ATOM 694 CB MET A 46 0.788 9.719 1.182 1.00 0.00 C ATOM 695 CG MET A 46 0.639 8.591 0.173 1.00 0.00 C ATOM 696 SD MET A 46 2.028 7.441 0.206 1.00 0.00 S ATOM 697 CE MET A 46 3.383 8.535 -0.212 1.00 0.00 C ATOM 0 H MET A 46 1.567 11.808 2.409 1.00 0.00 H new ATOM 0 HA MET A 46 1.507 10.986 -0.394 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.655 9.521 1.812 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.085 9.731 1.835 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.283 8.047 0.376 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.546 9.014 -0.827 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.059 8.030 -0.902 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.991 9.436 -0.683 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.925 8.806 0.694 1.00 0.00 H new ATOM 707 N SER A 47 -1.123 11.059 -0.748 1.00 0.00 N ATOM 708 CA SER A 47 -2.440 11.530 -1.162 1.00 0.00 C ATOM 709 C SER A 47 -3.572 10.838 -0.397 1.00 0.00 C ATOM 710 O SER A 47 -4.130 11.401 0.546 1.00 0.00 O ATOM 711 CB SER A 47 -2.621 11.332 -2.671 1.00 0.00 C ATOM 712 OG SER A 47 -1.833 12.254 -3.404 1.00 0.00 O ATOM 0 H SER A 47 -0.796 10.230 -1.244 1.00 0.00 H new ATOM 0 HA SER A 47 -2.494 12.593 -0.925 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.343 10.314 -2.943 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.671 11.457 -2.934 1.00 0.00 H new ATOM 0 HG SER A 47 -0.981 11.835 -3.648 1.00 0.00 H new ATOM 718 N HIS A 48 -3.898 9.611 -0.814 1.00 0.00 N ATOM 719 CA HIS A 48 -4.992 8.834 -0.227 1.00 0.00 C ATOM 720 C HIS A 48 -5.018 7.413 -0.792 1.00 0.00 C ATOM 721 O HIS A 48 -5.100 6.446 -0.031 1.00 0.00 O ATOM 722 CB HIS A 48 -6.338 9.525 -0.506 1.00 0.00 C ATOM 723 CG HIS A 48 -6.597 9.815 -1.955 1.00 0.00 C ATOM 724 ND1 HIS A 48 -6.174 10.969 -2.578 1.00 0.00 N ATOM 725 CD2 HIS A 48 -7.238 9.091 -2.906 1.00 0.00 C ATOM 726 CE1 HIS A 48 -6.545 10.946 -3.846 1.00 0.00 C ATOM 727 NE2 HIS A 48 -7.190 9.817 -4.069 1.00 0.00 N ATOM 0 H HIS A 48 -3.410 9.129 -1.569 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.828 8.777 0.849 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.142 8.895 -0.125 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.375 10.461 0.052 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.700 8.124 -2.773 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.353 11.719 -4.575 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -7.589 9.530 -4.963 1.00 0.00 H new ATOM 736 N LYS A 49 -4.944 7.279 -2.115 1.00 0.00 N ATOM 737 CA LYS A 49 -4.919 5.974 -2.765 1.00 0.00 C ATOM 738 C LYS A 49 -3.480 5.456 -2.866 1.00 0.00 C ATOM 739 O LYS A 49 -3.253 4.249 -2.974 1.00 0.00 O ATOM 740 CB LYS A 49 -5.537 6.100 -4.160 1.00 0.00 C ATOM 741 CG LYS A 49 -5.671 4.779 -4.897 1.00 0.00 C ATOM 742 CD LYS A 49 -6.601 4.900 -6.096 1.00 0.00 C ATOM 743 CE LYS A 49 -6.081 5.902 -7.116 1.00 0.00 C ATOM 744 NZ LYS A 49 -6.991 6.021 -8.291 1.00 0.00 N ATOM 0 H LYS A 49 -4.900 8.067 -2.761 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.495 5.263 -2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.523 6.556 -4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.926 6.777 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.688 4.446 -5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.052 4.018 -4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.713 3.924 -6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.591 5.206 -5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.970 6.878 -6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.091 5.596 -7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.602 6.713 -8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.078 5.096 -8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.929 6.337 -7.973 1.00 0.00 H new ATOM 758 N GLU A 50 -2.513 6.379 -2.825 1.00 0.00 N ATOM 759 CA GLU A 50 -1.097 6.035 -2.924 1.00 0.00 C ATOM 760 C GLU A 50 -0.615 5.235 -1.714 1.00 0.00 C ATOM 761 O GLU A 50 0.002 4.182 -1.873 1.00 0.00 O ATOM 762 CB GLU A 50 -0.259 7.310 -3.055 1.00 0.00 C ATOM 763 CG GLU A 50 -0.550 8.116 -4.312 1.00 0.00 C ATOM 764 CD GLU A 50 0.370 9.314 -4.458 1.00 0.00 C ATOM 765 OE1 GLU A 50 0.267 10.248 -3.634 1.00 0.00 O ATOM 766 OE2 GLU A 50 1.192 9.320 -5.398 1.00 0.00 O ATOM 0 H GLU A 50 -2.692 7.378 -2.723 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.975 5.412 -3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.436 7.940 -2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.797 7.041 -3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.445 7.472 -5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.585 8.457 -4.290 1.00 0.00 H new ATOM 773 N ALA A 51 -0.909 5.737 -0.509 1.00 0.00 N ATOM 774 CA ALA A 51 -0.476 5.089 0.732 1.00 0.00 C ATOM 775 C ALA A 51 -0.856 3.610 0.776 1.00 0.00 C ATOM 776 O ALA A 51 0.017 2.764 0.967 1.00 0.00 O ATOM 777 CB ALA A 51 -1.039 5.824 1.940 1.00 0.00 C ATOM 0 H ALA A 51 -1.447 6.592 -0.368 1.00 0.00 H new ATOM 0 HA ALA A 51 0.612 5.140 0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.708 5.330 2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.685 6.855 1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.128 5.814 1.897 1.00 0.00 H new ATOM 783 N ILE A 52 -2.136 3.285 0.607 1.00 0.00 N ATOM 784 CA ILE A 52 -2.557 1.884 0.680 1.00 0.00 C ATOM 785 C ILE A 52 -1.824 1.038 -0.363 1.00 0.00 C ATOM 786 O ILE A 52 -1.330 -0.045 -0.046 1.00 0.00 O ATOM 787 CB ILE A 52 -4.084 1.725 0.532 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.814 2.579 1.576 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.482 0.260 0.655 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.621 2.105 3.003 1.00 0.00 C ATOM 0 H ILE A 52 -2.885 3.953 0.423 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.289 1.523 1.673 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.376 2.074 -0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.466 3.609 1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.880 2.584 1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.563 0.166 0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.989 -0.318 -0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.180 -0.118 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.168 2.760 3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.996 1.086 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.560 2.127 3.254 1.00 0.00 H new ATOM 802 N LEU A 53 -1.765 1.530 -1.606 1.00 0.00 N ATOM 803 CA LEU A 53 -1.161 0.771 -2.709 1.00 0.00 C ATOM 804 C LEU A 53 0.230 0.217 -2.369 1.00 0.00 C ATOM 805 O LEU A 53 0.635 -0.813 -2.912 1.00 0.00 O ATOM 806 CB LEU A 53 -1.126 1.613 -3.985 1.00 0.00 C ATOM 807 CG LEU A 53 -0.705 0.881 -5.261 1.00 0.00 C ATOM 808 CD1 LEU A 53 -1.704 -0.211 -5.611 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.570 1.870 -6.408 1.00 0.00 C ATOM 0 H LEU A 53 -2.126 2.446 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.797 -0.098 -2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.117 2.037 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.443 2.448 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 53 0.263 0.410 -5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.385 -0.718 -6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.757 -0.931 -4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.687 0.232 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.270 1.340 -7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.527 2.364 -6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.184 2.616 -6.158 1.00 0.00 H new ATOM 821 N LEU A 54 0.956 0.906 -1.484 1.00 0.00 N ATOM 822 CA LEU A 54 2.287 0.472 -1.045 1.00 0.00 C ATOM 823 C LEU A 54 2.341 -1.033 -0.737 1.00 0.00 C ATOM 824 O LEU A 54 3.343 -1.697 -1.012 1.00 0.00 O ATOM 825 CB LEU A 54 2.684 1.244 0.220 1.00 0.00 C ATOM 826 CG LEU A 54 3.393 2.584 -0.005 1.00 0.00 C ATOM 827 CD1 LEU A 54 2.561 3.504 -0.881 1.00 0.00 C ATOM 828 CD2 LEU A 54 3.693 3.251 1.330 1.00 0.00 C ATOM 0 H LEU A 54 0.641 1.775 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 54 2.978 0.675 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.784 1.426 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.334 0.608 0.821 1.00 0.00 H new ATOM 0 HG LEU A 54 4.333 2.388 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.089 4.447 -1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.394 3.032 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.602 3.695 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.197 4.202 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.761 3.427 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.337 2.603 1.924 1.00 0.00 H new ATOM 840 N GLY A 55 1.250 -1.553 -0.159 1.00 0.00 N ATOM 841 CA GLY A 55 1.165 -2.960 0.217 1.00 0.00 C ATOM 842 C GLY A 55 1.591 -3.937 -0.868 1.00 0.00 C ATOM 843 O GLY A 55 2.331 -4.879 -0.584 1.00 0.00 O ATOM 0 H GLY A 55 0.413 -1.012 0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.785 -3.124 1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.138 -3.183 0.504 1.00 0.00 H new ATOM 847 N LEU A 56 1.116 -3.737 -2.100 1.00 0.00 N ATOM 848 CA LEU A 56 1.467 -4.633 -3.210 1.00 0.00 C ATOM 849 C LEU A 56 2.978 -4.854 -3.292 1.00 0.00 C ATOM 850 O LEU A 56 3.433 -5.982 -3.490 1.00 0.00 O ATOM 851 CB LEU A 56 0.954 -4.089 -4.547 1.00 0.00 C ATOM 852 CG LEU A 56 -0.533 -3.724 -4.591 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.962 -3.424 -6.020 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.382 -4.840 -3.997 1.00 0.00 C ATOM 0 H LEU A 56 0.493 -2.971 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 56 0.984 -5.590 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.534 -3.203 -4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.149 -4.833 -5.319 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.685 -2.828 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.021 -3.166 -6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.379 -2.588 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.793 -4.303 -6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.434 -4.558 -4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.229 -5.756 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.092 -5.005 -2.959 1.00 0.00 H new ATOM 866 N ARG A 57 3.750 -3.776 -3.143 1.00 0.00 N ATOM 867 CA ARG A 57 5.211 -3.859 -3.193 1.00 0.00 C ATOM 868 C ARG A 57 5.750 -4.726 -2.052 1.00 0.00 C ATOM 869 O ARG A 57 6.727 -5.457 -2.225 1.00 0.00 O ATOM 870 CB ARG A 57 5.829 -2.458 -3.112 1.00 0.00 C ATOM 871 CG ARG A 57 5.390 -1.520 -4.227 1.00 0.00 C ATOM 872 CD ARG A 57 5.908 -1.975 -5.583 1.00 0.00 C ATOM 873 NE ARG A 57 5.542 -1.042 -6.649 1.00 0.00 N ATOM 874 CZ ARG A 57 6.174 -0.960 -7.822 1.00 0.00 C ATOM 875 NH1 ARG A 57 7.195 -1.768 -8.100 1.00 0.00 N ATOM 876 NH2 ARG A 57 5.777 -0.068 -8.723 1.00 0.00 N ATOM 0 H ARG A 57 3.388 -2.835 -2.987 1.00 0.00 H new ATOM 0 HA ARG A 57 5.488 -4.319 -4.141 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.567 -2.012 -2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.915 -2.550 -3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.301 -1.469 -4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.752 -0.513 -4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.993 -2.073 -5.543 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.507 -2.963 -5.812 1.00 0.00 H new ATOM 0 HE ARG A 57 4.754 -0.415 -6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.501 -2.458 -7.414 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.671 -1.697 -8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.992 0.550 -8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.257 -0.002 -9.621 1.00 0.00 H new ATOM 890 N TYR A 58 5.101 -4.637 -0.890 1.00 0.00 N ATOM 891 CA TYR A 58 5.494 -5.411 0.288 1.00 0.00 C ATOM 892 C TYR A 58 5.269 -6.909 0.071 1.00 0.00 C ATOM 893 O TYR A 58 6.150 -7.727 0.342 1.00 0.00 O ATOM 894 CB TYR A 58 4.695 -4.938 1.508 1.00 0.00 C ATOM 895 CG TYR A 58 5.079 -5.622 2.802 1.00 0.00 C ATOM 896 CD1 TYR A 58 6.219 -5.244 3.499 1.00 0.00 C ATOM 897 CD2 TYR A 58 4.299 -6.645 3.327 1.00 0.00 C ATOM 898 CE1 TYR A 58 6.571 -5.864 4.682 1.00 0.00 C ATOM 899 CE2 TYR A 58 4.645 -7.270 4.510 1.00 0.00 C ATOM 900 CZ TYR A 58 5.782 -6.876 5.184 1.00 0.00 C ATOM 901 OH TYR A 58 6.133 -7.495 6.363 1.00 0.00 O ATOM 0 H TYR A 58 4.294 -4.031 -0.739 1.00 0.00 H new ATOM 0 HA TYR A 58 6.558 -5.250 0.460 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.832 -3.863 1.624 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.634 -5.106 1.322 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.841 -4.452 3.109 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.408 -6.957 2.802 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.461 -5.557 5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.028 -8.063 4.905 1.00 0.00 H new ATOM 0 HH TYR A 58 5.472 -8.185 6.579 1.00 0.00 H new ATOM 911 N LYS A 59 4.079 -7.252 -0.426 1.00 0.00 N ATOM 912 CA LYS A 59 3.705 -8.641 -0.686 1.00 0.00 C ATOM 913 C LYS A 59 4.305 -9.179 -1.989 1.00 0.00 C ATOM 914 O LYS A 59 4.235 -10.381 -2.251 1.00 0.00 O ATOM 915 CB LYS A 59 2.181 -8.760 -0.735 1.00 0.00 C ATOM 916 CG LYS A 59 1.509 -8.474 0.598 1.00 0.00 C ATOM 917 CD LYS A 59 1.945 -9.469 1.663 1.00 0.00 C ATOM 918 CE LYS A 59 1.393 -9.101 3.030 1.00 0.00 C ATOM 919 NZ LYS A 59 1.857 -10.042 4.089 1.00 0.00 N ATOM 0 H LYS A 59 3.351 -6.577 -0.658 1.00 0.00 H new ATOM 0 HA LYS A 59 4.108 -9.243 0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.794 -8.069 -1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.913 -9.765 -1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.754 -7.462 0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.426 -8.517 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.605 -10.468 1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.034 -9.503 1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.701 -8.087 3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.304 -9.103 2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.458 -9.756 5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.541 -11.006 3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.895 -10.021 4.141 1.00 0.00 H new ATOM 933 N LYS A 60 4.887 -8.292 -2.805 1.00 0.00 N ATOM 934 CA LYS A 60 5.494 -8.688 -4.077 1.00 0.00 C ATOM 935 C LYS A 60 4.428 -9.189 -5.055 1.00 0.00 C ATOM 936 O LYS A 60 4.397 -10.368 -5.416 1.00 0.00 O ATOM 937 CB LYS A 60 6.570 -9.762 -3.856 1.00 0.00 C ATOM 938 CG LYS A 60 7.641 -9.361 -2.850 1.00 0.00 C ATOM 939 CD LYS A 60 8.467 -8.182 -3.345 1.00 0.00 C ATOM 940 CE LYS A 60 9.329 -8.564 -4.539 1.00 0.00 C ATOM 941 NZ LYS A 60 10.138 -7.414 -5.034 1.00 0.00 N ATOM 0 H LYS A 60 4.949 -7.294 -2.605 1.00 0.00 H new ATOM 0 HA LYS A 60 5.971 -7.810 -4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.090 -10.679 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.047 -9.987 -4.810 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.170 -9.103 -1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.297 -10.210 -2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.803 -7.363 -3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.103 -7.818 -2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.994 -9.381 -4.260 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.692 -8.932 -5.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.711 -7.717 -5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.504 -6.643 -5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.765 -7.078 -4.275 1.00 0.00 H new ATOM 955 N LEU A 61 3.549 -8.276 -5.470 1.00 0.00 N ATOM 956 CA LEU A 61 2.475 -8.608 -6.411 1.00 0.00 C ATOM 957 C LEU A 61 1.811 -7.356 -6.995 1.00 0.00 C ATOM 958 O LEU A 61 0.628 -7.377 -7.334 1.00 0.00 O ATOM 959 CB LEU A 61 1.425 -9.503 -5.733 1.00 0.00 C ATOM 960 CG LEU A 61 1.126 -9.181 -4.262 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.608 -7.759 -4.109 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.123 -10.174 -3.698 1.00 0.00 C ATOM 0 H LEU A 61 3.558 -7.301 -5.170 1.00 0.00 H new ATOM 0 HA LEU A 61 2.928 -9.152 -7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.495 -9.433 -6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.760 -10.538 -5.798 1.00 0.00 H new ATOM 0 HG LEU A 61 2.056 -9.264 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.404 -7.557 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.358 -7.057 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.310 -7.642 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.080 -9.934 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.804 -10.119 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.532 -11.182 -3.765 1.00 0.00 H new ATOM 974 N TYR A 62 2.580 -6.276 -7.137 1.00 0.00 N ATOM 975 CA TYR A 62 2.062 -5.024 -7.691 1.00 0.00 C ATOM 976 C TYR A 62 1.591 -5.186 -9.148 1.00 0.00 C ATOM 977 O TYR A 62 0.863 -4.336 -9.664 1.00 0.00 O ATOM 978 CB TYR A 62 3.144 -3.938 -7.603 1.00 0.00 C ATOM 979 CG TYR A 62 2.732 -2.603 -8.184 1.00 0.00 C ATOM 980 CD1 TYR A 62 1.817 -1.792 -7.527 1.00 0.00 C ATOM 981 CD2 TYR A 62 3.258 -2.156 -9.390 1.00 0.00 C ATOM 982 CE1 TYR A 62 1.437 -0.575 -8.054 1.00 0.00 C ATOM 983 CE2 TYR A 62 2.885 -0.938 -9.924 1.00 0.00 C ATOM 984 CZ TYR A 62 1.973 -0.151 -9.253 1.00 0.00 C ATOM 985 OH TYR A 62 1.596 1.063 -9.783 1.00 0.00 O ATOM 0 H TYR A 62 3.565 -6.243 -6.876 1.00 0.00 H new ATOM 0 HA TYR A 62 1.193 -4.732 -7.102 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.418 -3.798 -6.557 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.037 -4.287 -8.122 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.396 -2.119 -6.588 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.971 -2.771 -9.919 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.723 0.043 -7.530 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.305 -0.604 -10.861 1.00 0.00 H new ATOM 0 HH TYR A 62 2.067 1.211 -10.630 1.00 0.00 H new ATOM 995 N ASN A 63 1.994 -6.282 -9.799 1.00 0.00 N ATOM 996 CA ASN A 63 1.626 -6.536 -11.193 1.00 0.00 C ATOM 997 C ASN A 63 0.141 -6.873 -11.362 1.00 0.00 C ATOM 998 O ASN A 63 -0.598 -6.118 -12.000 1.00 0.00 O ATOM 999 CB ASN A 63 2.480 -7.670 -11.772 1.00 0.00 C ATOM 1000 CG ASN A 63 3.955 -7.318 -11.841 1.00 0.00 C ATOM 1001 OD1 ASN A 63 4.421 -6.746 -12.827 1.00 0.00 O ATOM 1002 ND2 ASN A 63 4.700 -7.662 -10.795 1.00 0.00 N ATOM 0 H ASN A 63 2.576 -7.008 -9.381 1.00 0.00 H new ATOM 0 HA ASN A 63 1.815 -5.612 -11.739 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.352 -8.563 -11.161 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.122 -7.914 -12.772 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.698 -7.453 -10.789 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.273 -8.135 -9.998 1.00 0.00 H new ATOM 1009 N GLN A 64 -0.298 -8.000 -10.791 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.691 -8.437 -10.929 1.00 0.00 C ATOM 1011 C GLN A 64 -2.578 -8.008 -9.758 1.00 0.00 C ATOM 1012 O GLN A 64 -3.799 -8.066 -9.879 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.754 -9.954 -11.095 1.00 0.00 C ATOM 1014 CG GLN A 64 -1.182 -10.450 -12.414 1.00 0.00 C ATOM 1015 CD GLN A 64 -1.980 -9.975 -13.616 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -2.918 -10.641 -14.053 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -1.611 -8.817 -14.158 1.00 0.00 N ATOM 0 H GLN A 64 0.287 -8.622 -10.233 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.081 -7.945 -11.820 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.211 -10.423 -10.275 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.792 -10.276 -11.015 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.151 -10.108 -12.510 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.157 -11.540 -12.407 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.827 -8.296 -13.764 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.112 -8.450 -14.967 1.00 0.00 H new ATOM 1026 N ALA A 65 -2.006 -7.578 -8.638 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.822 -7.180 -7.487 1.00 0.00 C ATOM 1028 C ALA A 65 -3.614 -5.904 -7.766 1.00 0.00 C ATOM 1029 O ALA A 65 -4.799 -5.816 -7.438 1.00 0.00 O ATOM 1030 CB ALA A 65 -1.951 -6.999 -6.256 1.00 0.00 C ATOM 0 H ALA A 65 -0.999 -7.495 -8.499 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.539 -7.980 -7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.573 -6.704 -5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.447 -7.938 -6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.207 -6.226 -6.447 1.00 0.00 H new ATOM 1036 N ARG A 66 -2.952 -4.918 -8.370 1.00 0.00 N ATOM 1037 CA ARG A 66 -3.585 -3.640 -8.696 1.00 0.00 C ATOM 1038 C ARG A 66 -4.738 -3.817 -9.688 1.00 0.00 C ATOM 1039 O ARG A 66 -5.737 -3.100 -9.616 1.00 0.00 O ATOM 1040 CB ARG A 66 -2.544 -2.677 -9.274 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.059 -1.263 -9.482 1.00 0.00 C ATOM 1042 CD ARG A 66 -2.059 -0.418 -10.256 1.00 0.00 C ATOM 1043 NE ARG A 66 -1.923 -0.868 -11.644 1.00 0.00 N ATOM 1044 CZ ARG A 66 -0.938 -1.655 -12.089 1.00 0.00 C ATOM 1045 NH1 ARG A 66 -0.002 -2.111 -11.260 1.00 0.00 N ATOM 1046 NH2 ARG A 66 -0.898 -1.999 -13.373 1.00 0.00 N ATOM 0 H ARG A 66 -1.972 -4.980 -8.645 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.997 -3.227 -7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.683 -2.645 -8.606 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.192 -3.069 -10.228 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.006 -1.294 -10.021 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.258 -0.800 -8.515 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.377 0.625 -10.242 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.088 -0.462 -9.763 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.627 -0.560 -12.315 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.030 -1.861 -10.272 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.744 -2.711 -11.613 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.617 -1.663 -14.014 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.148 -2.599 -13.717 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.599 -4.779 -10.607 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.627 -5.039 -11.618 1.00 0.00 C ATOM 1062 C VAL A 67 -6.695 -6.018 -11.117 1.00 0.00 C ATOM 1063 O VAL A 67 -7.879 -5.857 -11.420 1.00 0.00 O ATOM 1064 CB VAL A 67 -5.015 -5.576 -12.932 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -4.114 -4.529 -13.568 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -4.249 -6.871 -12.694 1.00 0.00 C ATOM 0 H VAL A 67 -3.784 -5.390 -10.671 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.103 -4.079 -11.816 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.833 -5.793 -13.619 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.692 -4.925 -14.492 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.696 -3.634 -13.789 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.307 -4.277 -12.880 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.830 -7.224 -13.636 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.443 -6.691 -11.983 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.926 -7.625 -12.292 1.00 0.00 H new ATOM 1076 N LYS A 68 -6.274 -7.029 -10.353 1.00 0.00 N ATOM 1077 CA LYS A 68 -7.198 -8.031 -9.818 1.00 0.00 C ATOM 1078 C LYS A 68 -8.125 -7.424 -8.770 1.00 0.00 C ATOM 1079 O LYS A 68 -9.339 -7.610 -8.823 1.00 0.00 O ATOM 1080 CB LYS A 68 -6.427 -9.202 -9.204 1.00 0.00 C ATOM 1081 CG LYS A 68 -5.859 -10.166 -10.231 1.00 0.00 C ATOM 1082 CD LYS A 68 -5.034 -11.260 -9.573 1.00 0.00 C ATOM 1083 CE LYS A 68 -4.602 -12.318 -10.577 1.00 0.00 C ATOM 1084 NZ LYS A 68 -5.749 -13.145 -11.047 1.00 0.00 N ATOM 0 H LYS A 68 -5.299 -7.175 -10.091 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.803 -8.395 -10.648 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.611 -8.810 -8.597 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.089 -9.749 -8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.674 -10.615 -10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.239 -9.619 -10.941 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.153 -10.820 -9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.616 -11.728 -8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.130 -11.835 -11.432 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.852 -12.965 -10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.392 -13.955 -11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.287 -13.491 -10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.370 -12.567 -11.649 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.541 -6.704 -7.814 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.312 -6.070 -6.751 1.00 0.00 C ATOM 1100 C TYR A 69 -8.603 -4.609 -7.096 1.00 0.00 C ATOM 1101 O TYR A 69 -7.890 -4.000 -7.898 1.00 0.00 O ATOM 1102 CB TYR A 69 -7.558 -6.169 -5.421 1.00 0.00 C ATOM 1103 CG TYR A 69 -7.110 -7.576 -5.086 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -8.037 -8.580 -4.837 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -5.760 -7.900 -5.026 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -7.631 -9.866 -4.538 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -5.347 -9.184 -4.727 1.00 0.00 C ATOM 1108 CZ TYR A 69 -6.286 -10.164 -4.485 1.00 0.00 C ATOM 1109 OH TYR A 69 -5.878 -11.445 -4.188 1.00 0.00 O ATOM 0 H TYR A 69 -6.535 -6.546 -7.755 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.263 -6.592 -6.652 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.685 -5.517 -5.457 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.199 -5.800 -4.620 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.092 -8.352 -4.878 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.021 -7.135 -5.216 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.365 -10.635 -4.346 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.294 -9.419 -4.683 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.899 -11.486 -4.192 1.00 0.00 H new ATOM 1119 N SER A 70 -9.654 -4.055 -6.493 1.00 0.00 N ATOM 1120 CA SER A 70 -10.044 -2.669 -6.745 1.00 0.00 C ATOM 1121 C SER A 70 -9.071 -1.689 -6.086 1.00 0.00 C ATOM 1122 O SER A 70 -9.277 -1.264 -4.948 1.00 0.00 O ATOM 1123 CB SER A 70 -11.470 -2.416 -6.244 1.00 0.00 C ATOM 1124 OG SER A 70 -11.886 -1.091 -6.522 1.00 0.00 O ATOM 0 H SER A 70 -10.251 -4.545 -5.826 1.00 0.00 H new ATOM 0 HA SER A 70 -10.012 -2.504 -7.822 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.154 -3.121 -6.717 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.518 -2.597 -5.170 1.00 0.00 H new ATOM 0 HG SER A 70 -12.800 -0.959 -6.193 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.003 -1.345 -6.809 1.00 0.00 N ATOM 1131 CA LEU A 71 -6.998 -0.411 -6.311 1.00 0.00 C ATOM 1132 C LEU A 71 -6.871 0.788 -7.248 1.00 0.00 C ATOM 1133 O LEU A 71 -7.404 1.861 -6.966 1.00 0.00 O ATOM 1134 CB LEU A 71 -5.641 -1.112 -6.149 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.501 -1.992 -4.903 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.419 -3.202 -4.986 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.059 -2.434 -4.720 1.00 0.00 C ATOM 0 H LEU A 71 -7.814 -1.703 -7.745 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.318 -0.053 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.462 -1.728 -7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.859 -0.353 -6.127 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.795 -1.399 -4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.301 -3.811 -4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.454 -2.869 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.161 -3.795 -5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.980 -3.058 -3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.740 -3.004 -5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.421 -1.557 -4.606 1.00 0.00 H new