USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 681 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 64 MET CE :methyl -154:sc= -4.06 (180deg=-7.62!) USER MOD Set 1.2: A 65 GLN :FLIP amide:sc= -1.12 F(o=-6.3,f=-5.2) USER MOD Set 2.1: A 26 SER OG : rot 180:sc= 0.00442 USER MOD Set 2.2: A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.00558 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 168:sc= -1.13 (180deg=-1.51) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.1) USER MOD Single : A 10 CYS SG : rot 93:sc= -0.124 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 149:sc= 1.6 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.0292 X(o=0.029,f=-0.01) USER MOD Single : A 21 GLN : amide:sc= -0.174 K(o=-0.17,f=-3.4!) USER MOD Single : A 28 SER OG : rot -171:sc= 1.23 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.346 X(o=-0.35,f=0) USER MOD Single : A 34 CYS SG : rot 170:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-2.7,f=0) USER MOD Single : A 38 HIS :FLIP no HE2:sc= -0.581 F(o=-1.2,f=-0.58) USER MOD Single : A 39 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.06) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -93:sc= 1.15 USER MOD Single : A 53 LYS NZ :NH3+ 177:sc= 1.88 (180deg=1.87) USER MOD Single : A 54 MET CE :methyl -172:sc= -2.31 (180deg=-2.72) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -43:sc= 0.0245 USER MOD Single : A 71 ASN : amide:sc= -0.248 X(o=-0.25,f=0) USER MOD Single : A 74 CYS SG : rot 80:sc= 0.795 USER MOD Single : A 77 MET CE :methyl 162:sc= -3.52 (180deg=-5.97!) USER MOD Single : A 80 ASN : amide:sc= 1 K(o=1,f=-0.003) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= 0.133 F(o=-1.4,f=0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.810 -15.393 -10.407 1.00 0.00 N ATOM 2 CA GLY A 1 -1.675 -16.558 -10.608 1.00 0.00 C ATOM 3 C GLY A 1 -2.752 -16.614 -9.539 1.00 0.00 C ATOM 4 O GLY A 1 -3.460 -15.630 -9.304 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.080 -15.371 -11.147 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.380 -14.525 -10.457 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.355 -15.455 -9.474 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.136 -16.510 -11.594 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.079 -17.470 -10.579 1.00 0.00 H new ATOM 8 N HIS A 2 -2.924 -17.777 -8.916 1.00 0.00 N ATOM 9 CA HIS A 2 -4.005 -18.089 -8.000 1.00 0.00 C ATOM 10 C HIS A 2 -3.625 -17.617 -6.590 1.00 0.00 C ATOM 11 O HIS A 2 -2.897 -18.308 -5.873 1.00 0.00 O ATOM 12 CB HIS A 2 -4.262 -19.600 -8.099 1.00 0.00 C ATOM 13 CG HIS A 2 -5.498 -20.065 -7.382 1.00 0.00 C ATOM 14 ND1 HIS A 2 -6.743 -20.253 -7.939 1.00 0.00 N ATOM 15 CD2 HIS A 2 -5.567 -20.417 -6.065 1.00 0.00 C ATOM 16 CE1 HIS A 2 -7.544 -20.727 -6.973 1.00 0.00 C ATOM 17 NE2 HIS A 2 -6.881 -20.837 -5.805 1.00 0.00 N ATOM 0 H HIS A 2 -2.282 -18.559 -9.045 1.00 0.00 H new ATOM 0 HA HIS A 2 -4.931 -17.571 -8.250 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -4.341 -19.875 -9.151 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -3.400 -20.131 -7.695 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -4.757 -20.379 -5.352 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -8.583 -20.986 -7.113 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -7.257 -21.160 -4.914 1.00 0.00 H new ATOM 25 N SER A 3 -4.047 -16.414 -6.206 1.00 0.00 N ATOM 26 CA SER A 3 -3.676 -15.794 -4.937 1.00 0.00 C ATOM 27 C SER A 3 -4.429 -16.443 -3.771 1.00 0.00 C ATOM 28 O SER A 3 -5.657 -16.602 -3.832 1.00 0.00 O ATOM 29 CB SER A 3 -3.977 -14.289 -5.004 1.00 0.00 C ATOM 30 OG SER A 3 -3.684 -13.782 -6.293 1.00 0.00 O ATOM 0 H SER A 3 -4.664 -15.835 -6.775 1.00 0.00 H new ATOM 0 HA SER A 3 -2.610 -15.943 -4.765 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.026 -14.111 -4.766 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.386 -13.760 -4.256 1.00 0.00 H new ATOM 0 HG SER A 3 -3.883 -12.823 -6.320 1.00 0.00 H new ATOM 36 N LYS A 4 -3.717 -16.785 -2.693 1.00 0.00 N ATOM 37 CA LYS A 4 -4.290 -17.452 -1.522 1.00 0.00 C ATOM 38 C LYS A 4 -4.063 -16.699 -0.232 1.00 0.00 C ATOM 39 O LYS A 4 -5.024 -16.558 0.527 1.00 0.00 O ATOM 40 CB LYS A 4 -3.915 -18.948 -1.439 1.00 0.00 C ATOM 41 CG LYS A 4 -2.515 -19.409 -1.892 1.00 0.00 C ATOM 42 CD LYS A 4 -1.313 -19.011 -1.023 1.00 0.00 C ATOM 43 CE LYS A 4 -1.394 -19.535 0.418 1.00 0.00 C ATOM 44 NZ LYS A 4 -1.304 -21.005 0.528 1.00 0.00 N ATOM 0 H LYS A 4 -2.717 -16.604 -2.609 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.370 -17.432 -1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.041 -19.259 -0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.647 -19.501 -2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.529 -20.496 -1.967 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.344 -19.023 -2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.401 -19.387 -1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.235 -17.924 -1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.590 -19.087 1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.333 -19.204 0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.366 -21.283 1.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.086 -21.441 -0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.397 -21.328 0.135 1.00 0.00 H new ATOM 58 N MET A 5 -2.855 -16.226 0.046 1.00 0.00 N ATOM 59 CA MET A 5 -2.545 -15.650 1.340 1.00 0.00 C ATOM 60 C MET A 5 -1.293 -14.797 1.248 1.00 0.00 C ATOM 61 O MET A 5 -0.188 -15.329 1.123 1.00 0.00 O ATOM 62 CB MET A 5 -2.397 -16.769 2.395 1.00 0.00 C ATOM 63 CG MET A 5 -3.312 -16.511 3.583 1.00 0.00 C ATOM 64 SD MET A 5 -2.493 -16.432 5.185 1.00 0.00 S ATOM 65 CE MET A 5 -1.684 -14.831 5.007 1.00 0.00 C ATOM 0 H MET A 5 -2.075 -16.232 -0.611 1.00 0.00 H new ATOM 0 HA MET A 5 -3.364 -15.002 1.653 1.00 0.00 H new ATOM 0 HB2 MET A 5 -2.638 -17.733 1.947 1.00 0.00 H new ATOM 0 HB3 MET A 5 -1.362 -16.824 2.732 1.00 0.00 H new ATOM 0 HG2 MET A 5 -3.839 -15.572 3.417 1.00 0.00 H new ATOM 0 HG3 MET A 5 -4.066 -17.298 3.617 1.00 0.00 H new ATOM 0 HE1 MET A 5 -1.301 -14.507 5.975 1.00 0.00 H new ATOM 0 HE2 MET A 5 -0.859 -14.917 4.300 1.00 0.00 H new ATOM 0 HE3 MET A 5 -2.403 -14.099 4.638 1.00 0.00 H new ATOM 75 N SER A 6 -1.470 -13.483 1.340 1.00 0.00 N ATOM 76 CA SER A 6 -0.414 -12.500 1.145 1.00 0.00 C ATOM 77 C SER A 6 -0.257 -11.603 2.378 1.00 0.00 C ATOM 78 O SER A 6 0.014 -10.411 2.271 1.00 0.00 O ATOM 79 CB SER A 6 -0.707 -11.727 -0.138 1.00 0.00 C ATOM 80 OG SER A 6 -0.759 -12.614 -1.251 1.00 0.00 O ATOM 0 H SER A 6 -2.374 -13.064 1.558 1.00 0.00 H new ATOM 0 HA SER A 6 0.551 -12.993 1.029 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.655 -11.197 -0.043 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.064 -10.974 -0.301 1.00 0.00 H new ATOM 0 HG SER A 6 -0.949 -12.105 -2.066 1.00 0.00 H new ATOM 86 N ASP A 7 -0.438 -12.214 3.552 1.00 0.00 N ATOM 87 CA ASP A 7 -0.102 -11.676 4.874 1.00 0.00 C ATOM 88 C ASP A 7 -0.730 -10.305 5.115 1.00 0.00 C ATOM 89 O ASP A 7 -0.117 -9.331 5.556 1.00 0.00 O ATOM 90 CB ASP A 7 1.411 -11.800 5.117 1.00 0.00 C ATOM 91 CG ASP A 7 1.681 -12.819 6.221 1.00 0.00 C ATOM 92 OD1 ASP A 7 1.277 -13.996 6.063 1.00 0.00 O ATOM 93 OD2 ASP A 7 2.281 -12.438 7.253 1.00 0.00 O ATOM 0 H ASP A 7 -0.845 -13.148 3.609 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.562 -12.278 5.658 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.911 -12.106 4.198 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.823 -10.831 5.397 1.00 0.00 H new ATOM 98 N VAL A 8 -2.023 -10.257 4.823 1.00 0.00 N ATOM 99 CA VAL A 8 -2.851 -9.077 4.863 1.00 0.00 C ATOM 100 C VAL A 8 -3.345 -8.912 6.302 1.00 0.00 C ATOM 101 O VAL A 8 -4.466 -9.291 6.645 1.00 0.00 O ATOM 102 CB VAL A 8 -3.936 -9.237 3.773 1.00 0.00 C ATOM 103 CG1 VAL A 8 -4.781 -7.979 3.636 1.00 0.00 C ATOM 104 CG2 VAL A 8 -3.301 -9.498 2.394 1.00 0.00 C ATOM 0 H VAL A 8 -2.542 -11.088 4.538 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.336 -8.146 4.626 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.554 -10.079 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.533 -8.128 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.275 -7.767 4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.142 -7.139 3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.087 -9.607 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.658 -8.660 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.709 -10.412 2.433 1.00 0.00 H new ATOM 114 N LYS A 9 -2.475 -8.383 7.173 1.00 0.00 N ATOM 115 CA LYS A 9 -2.751 -8.209 8.605 1.00 0.00 C ATOM 116 C LYS A 9 -3.095 -6.782 9.015 1.00 0.00 C ATOM 117 O LYS A 9 -3.501 -6.570 10.165 1.00 0.00 O ATOM 118 CB LYS A 9 -1.627 -8.773 9.486 1.00 0.00 C ATOM 119 CG LYS A 9 -0.237 -8.227 9.128 1.00 0.00 C ATOM 120 CD LYS A 9 0.646 -9.385 8.672 1.00 0.00 C ATOM 121 CE LYS A 9 1.877 -8.841 7.939 1.00 0.00 C ATOM 122 NZ LYS A 9 2.974 -9.818 7.853 1.00 0.00 N ATOM 0 H LYS A 9 -1.547 -8.060 6.899 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.654 -8.795 8.777 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.842 -8.541 10.529 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.616 -9.859 9.397 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.317 -7.480 8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.207 -7.731 9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.956 -9.979 9.532 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.083 -10.047 8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.589 -8.537 6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.233 -7.948 8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.707 -9.461 7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.385 -9.963 8.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.606 -10.722 7.493 1.00 0.00 H new ATOM 136 N CYS A 10 -2.998 -5.848 8.070 1.00 0.00 N ATOM 137 CA CYS A 10 -3.017 -4.399 8.250 1.00 0.00 C ATOM 138 C CYS A 10 -1.898 -3.899 9.177 1.00 0.00 C ATOM 139 O CYS A 10 -1.450 -4.596 10.089 1.00 0.00 O ATOM 140 CB CYS A 10 -4.411 -3.955 8.707 1.00 0.00 C ATOM 141 SG CYS A 10 -5.570 -4.035 7.324 1.00 0.00 S ATOM 0 H CYS A 10 -2.897 -6.104 7.088 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.809 -3.932 7.287 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.757 -4.594 9.519 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.368 -2.938 9.098 1.00 0.00 H new ATOM 0 HG CYS A 10 -6.160 -5.193 7.319 1.00 0.00 H new ATOM 147 N THR A 11 -1.446 -2.671 8.927 1.00 0.00 N ATOM 148 CA THR A 11 -0.384 -1.991 9.651 1.00 0.00 C ATOM 149 C THR A 11 -0.459 -0.506 9.265 1.00 0.00 C ATOM 150 O THR A 11 -0.987 -0.189 8.193 1.00 0.00 O ATOM 151 CB THR A 11 0.961 -2.637 9.275 1.00 0.00 C ATOM 152 OG1 THR A 11 1.976 -2.183 10.144 1.00 0.00 O ATOM 153 CG2 THR A 11 1.338 -2.373 7.815 1.00 0.00 C ATOM 0 H THR A 11 -1.833 -2.099 8.176 1.00 0.00 H new ATOM 0 HA THR A 11 -0.487 -2.077 10.733 1.00 0.00 H new ATOM 0 HB THR A 11 0.853 -3.716 9.385 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.828 -2.601 9.898 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.294 -2.848 7.595 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.569 -2.784 7.161 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.419 -1.299 7.649 1.00 0.00 H new ATOM 161 N SER A 12 0.070 0.380 10.120 1.00 0.00 N ATOM 162 CA SER A 12 -0.106 1.820 10.115 1.00 0.00 C ATOM 163 C SER A 12 -1.589 2.179 10.014 1.00 0.00 C ATOM 164 O SER A 12 -2.483 1.334 9.924 1.00 0.00 O ATOM 165 CB SER A 12 0.872 2.438 9.092 1.00 0.00 C ATOM 166 OG SER A 12 0.589 3.737 8.629 1.00 0.00 O ATOM 0 H SER A 12 0.674 0.077 10.884 1.00 0.00 H new ATOM 0 HA SER A 12 0.174 2.286 11.060 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.866 2.449 9.540 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.919 1.775 8.228 1.00 0.00 H new ATOM 0 HG SER A 12 1.427 4.199 8.418 1.00 0.00 H new ATOM 172 N VAL A 13 -1.896 3.455 10.111 1.00 0.00 N ATOM 173 CA VAL A 13 -3.192 3.977 9.744 1.00 0.00 C ATOM 174 C VAL A 13 -3.054 4.928 8.573 1.00 0.00 C ATOM 175 O VAL A 13 -4.052 5.216 7.923 1.00 0.00 O ATOM 176 CB VAL A 13 -3.848 4.637 10.948 1.00 0.00 C ATOM 177 CG1 VAL A 13 -4.489 3.580 11.849 1.00 0.00 C ATOM 178 CG2 VAL A 13 -2.870 5.516 11.745 1.00 0.00 C ATOM 0 H VAL A 13 -1.246 4.164 10.450 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.841 3.161 9.427 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.625 5.300 10.569 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.954 4.066 12.706 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.246 3.033 11.287 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.724 2.886 12.197 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.390 5.962 12.593 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.044 4.904 12.107 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.482 6.305 11.101 1.00 0.00 H new ATOM 188 N VAL A 14 -1.832 5.334 8.235 1.00 0.00 N ATOM 189 CA VAL A 14 -1.550 6.275 7.159 1.00 0.00 C ATOM 190 C VAL A 14 -2.166 5.755 5.855 1.00 0.00 C ATOM 191 O VAL A 14 -2.675 6.539 5.060 1.00 0.00 O ATOM 192 CB VAL A 14 -0.027 6.502 7.068 1.00 0.00 C ATOM 193 CG1 VAL A 14 0.320 7.483 5.955 1.00 0.00 C ATOM 194 CG2 VAL A 14 0.542 7.072 8.380 1.00 0.00 C ATOM 0 H VAL A 14 -0.992 5.009 8.714 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.004 7.246 7.357 1.00 0.00 H new ATOM 0 HB VAL A 14 0.412 5.525 6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.400 7.622 5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.030 7.089 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.162 8.441 6.151 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.617 7.218 8.277 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.065 8.027 8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.347 6.374 9.195 1.00 0.00 H new ATOM 204 N LEU A 15 -2.196 4.432 5.657 1.00 0.00 N ATOM 205 CA LEU A 15 -2.889 3.808 4.538 1.00 0.00 C ATOM 206 C LEU A 15 -4.354 3.509 4.830 1.00 0.00 C ATOM 207 O LEU A 15 -5.186 3.723 3.950 1.00 0.00 O ATOM 208 CB LEU A 15 -2.179 2.550 4.013 1.00 0.00 C ATOM 209 CG LEU A 15 -1.513 1.634 5.055 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.493 0.194 4.548 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.063 2.061 5.278 1.00 0.00 C ATOM 0 H LEU A 15 -1.735 3.765 6.276 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.858 4.558 3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.907 1.958 3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.415 2.865 3.302 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.082 1.708 5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.020 -0.447 5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.514 -0.145 4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.930 0.144 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.399 1.407 6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.485 1.992 4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.038 3.090 5.638 1.00 0.00 H new ATOM 223 N LEU A 16 -4.700 2.992 6.010 1.00 0.00 N ATOM 224 CA LEU A 16 -6.069 2.545 6.290 1.00 0.00 C ATOM 225 C LEU A 16 -7.060 3.697 6.302 1.00 0.00 C ATOM 226 O LEU A 16 -8.225 3.547 5.926 1.00 0.00 O ATOM 227 CB LEU A 16 -6.143 1.828 7.649 1.00 0.00 C ATOM 228 CG LEU A 16 -5.776 0.338 7.620 1.00 0.00 C ATOM 229 CD1 LEU A 16 -6.656 -0.401 6.608 1.00 0.00 C ATOM 230 CD2 LEU A 16 -4.292 0.128 7.313 1.00 0.00 C ATOM 0 H LEU A 16 -4.052 2.872 6.789 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.336 1.860 5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.478 2.336 8.347 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.155 1.929 8.041 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.960 -0.075 8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.387 -1.457 6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.703 -0.296 6.892 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.505 0.024 5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.070 -0.939 7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.057 0.558 6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.689 0.615 8.080 1.00 0.00 H new ATOM 242 N SER A 17 -6.627 4.856 6.765 1.00 0.00 N ATOM 243 CA SER A 17 -7.449 6.049 6.831 1.00 0.00 C ATOM 244 C SER A 17 -7.794 6.592 5.432 1.00 0.00 C ATOM 245 O SER A 17 -8.859 7.198 5.268 1.00 0.00 O ATOM 246 CB SER A 17 -6.766 7.053 7.771 1.00 0.00 C ATOM 247 OG SER A 17 -7.458 7.058 9.004 1.00 0.00 O ATOM 0 H SER A 17 -5.678 4.996 7.111 1.00 0.00 H new ATOM 0 HA SER A 17 -8.427 5.821 7.255 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.722 6.779 7.924 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.772 8.050 7.329 1.00 0.00 H new ATOM 0 HG SER A 17 -7.032 7.694 9.616 1.00 0.00 H new ATOM 253 N VAL A 18 -6.993 6.278 4.404 1.00 0.00 N ATOM 254 CA VAL A 18 -7.335 6.492 3.000 1.00 0.00 C ATOM 255 C VAL A 18 -8.492 5.576 2.607 1.00 0.00 C ATOM 256 O VAL A 18 -9.239 5.917 1.713 1.00 0.00 O ATOM 257 CB VAL A 18 -6.117 6.194 2.089 1.00 0.00 C ATOM 258 CG1 VAL A 18 -6.271 6.574 0.611 1.00 0.00 C ATOM 259 CG2 VAL A 18 -4.841 6.876 2.586 1.00 0.00 C ATOM 0 H VAL A 18 -6.072 5.860 4.533 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.626 7.534 2.871 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.053 5.108 2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.358 6.320 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.110 6.028 0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.454 7.645 0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.016 6.637 1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.990 7.956 2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.606 6.522 3.590 1.00 0.00 H new ATOM 269 N LEU A 19 -8.686 4.413 3.226 1.00 0.00 N ATOM 270 CA LEU A 19 -9.644 3.435 2.708 1.00 0.00 C ATOM 271 C LEU A 19 -11.026 3.720 3.255 1.00 0.00 C ATOM 272 O LEU A 19 -12.003 3.823 2.509 1.00 0.00 O ATOM 273 CB LEU A 19 -9.180 2.017 3.057 1.00 0.00 C ATOM 274 CG LEU A 19 -7.783 1.705 2.513 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.527 0.211 2.474 1.00 0.00 C ATOM 276 CD2 LEU A 19 -7.464 2.272 1.127 1.00 0.00 C ATOM 0 H LEU A 19 -8.200 4.126 4.076 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.695 3.514 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.180 1.895 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.892 1.296 2.655 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.125 2.210 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.527 0.023 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.606 -0.198 3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.264 -0.268 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.450 1.990 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.170 1.872 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.545 3.359 1.151 1.00 0.00 H new ATOM 288 N GLN A 20 -11.092 3.904 4.567 1.00 0.00 N ATOM 289 CA GLN A 20 -12.337 4.162 5.257 1.00 0.00 C ATOM 290 C GLN A 20 -12.988 5.486 4.815 1.00 0.00 C ATOM 291 O GLN A 20 -14.208 5.605 4.946 1.00 0.00 O ATOM 292 CB GLN A 20 -12.109 4.031 6.772 1.00 0.00 C ATOM 293 CG GLN A 20 -11.181 5.080 7.382 1.00 0.00 C ATOM 294 CD GLN A 20 -10.537 4.538 8.653 1.00 0.00 C ATOM 295 OE1 GLN A 20 -11.021 4.711 9.767 1.00 0.00 O ATOM 296 NE2 GLN A 20 -9.443 3.815 8.505 1.00 0.00 N ATOM 0 H GLN A 20 -10.277 3.877 5.180 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.076 3.411 4.978 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.074 4.086 7.275 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.699 3.042 6.978 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.409 5.355 6.663 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.743 5.986 7.608 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.046 3.675 7.576 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.995 3.396 9.320 1.00 0.00 H new ATOM 305 N GLN A 21 -12.242 6.445 4.234 1.00 0.00 N ATOM 306 CA GLN A 21 -12.866 7.649 3.676 1.00 0.00 C ATOM 307 C GLN A 21 -13.655 7.336 2.389 1.00 0.00 C ATOM 308 O GLN A 21 -14.595 8.065 2.085 1.00 0.00 O ATOM 309 CB GLN A 21 -11.864 8.830 3.541 1.00 0.00 C ATOM 310 CG GLN A 21 -10.937 8.833 2.342 1.00 0.00 C ATOM 311 CD GLN A 21 -10.108 10.098 2.139 1.00 0.00 C ATOM 312 OE1 GLN A 21 -9.865 10.506 1.005 1.00 0.00 O ATOM 313 NE2 GLN A 21 -9.473 10.645 3.168 1.00 0.00 N ATOM 0 H GLN A 21 -11.227 6.408 4.142 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.607 8.000 4.394 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -12.438 9.757 3.524 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.249 8.853 4.441 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.256 7.987 2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.534 8.667 1.446 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.662 10.319 4.116 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.796 11.391 3.011 1.00 0.00 H new ATOM 322 N LEU A 22 -13.332 6.264 1.642 1.00 0.00 N ATOM 323 CA LEU A 22 -13.967 5.933 0.350 1.00 0.00 C ATOM 324 C LEU A 22 -14.704 4.599 0.356 1.00 0.00 C ATOM 325 O LEU A 22 -15.236 4.200 -0.673 1.00 0.00 O ATOM 326 CB LEU A 22 -13.031 5.902 -0.850 1.00 0.00 C ATOM 327 CG LEU A 22 -12.165 7.119 -1.145 1.00 0.00 C ATOM 328 CD1 LEU A 22 -12.914 8.441 -1.046 1.00 0.00 C ATOM 329 CD2 LEU A 22 -10.882 7.035 -0.349 1.00 0.00 C ATOM 0 H LEU A 22 -12.615 5.595 1.921 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.662 6.765 0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.366 5.048 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.637 5.708 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.881 7.101 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.233 9.262 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -13.737 8.447 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.309 8.561 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.264 7.907 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.115 7.007 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.341 6.130 -0.626 1.00 0.00 H new ATOM 341 N ARG A 23 -14.837 3.990 1.527 1.00 0.00 N ATOM 342 CA ARG A 23 -15.817 2.944 1.875 1.00 0.00 C ATOM 343 C ARG A 23 -15.446 1.643 1.183 1.00 0.00 C ATOM 344 O ARG A 23 -16.272 0.964 0.568 1.00 0.00 O ATOM 345 CB ARG A 23 -17.278 3.327 1.579 1.00 0.00 C ATOM 346 CG ARG A 23 -17.823 4.652 2.041 1.00 0.00 C ATOM 347 CD ARG A 23 -17.432 5.631 0.961 1.00 0.00 C ATOM 348 NE ARG A 23 -18.356 6.744 0.712 1.00 0.00 N ATOM 349 CZ ARG A 23 -18.528 7.848 1.439 1.00 0.00 C ATOM 350 NH1 ARG A 23 -18.067 7.951 2.685 1.00 0.00 N ATOM 351 NH2 ARG A 23 -19.159 8.858 0.861 1.00 0.00 N ATOM 0 H ARG A 23 -14.231 4.220 2.314 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.767 2.819 2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -17.411 3.282 0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -17.909 2.550 2.010 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -18.905 4.612 2.165 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -17.402 4.938 3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.458 6.048 1.217 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -17.307 5.078 0.030 1.00 0.00 H new ATOM 0 HE ARG A 23 -18.939 6.663 -0.121 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.566 7.171 3.109 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.216 8.810 3.214 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.489 8.770 -0.100 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.315 9.724 1.377 1.00 0.00 H new ATOM 365 N VAL A 24 -14.146 1.397 1.241 1.00 0.00 N ATOM 366 CA VAL A 24 -13.444 0.349 0.533 1.00 0.00 C ATOM 367 C VAL A 24 -14.160 -0.976 0.680 1.00 0.00 C ATOM 368 O VAL A 24 -14.767 -1.263 1.712 1.00 0.00 O ATOM 369 CB VAL A 24 -11.973 0.330 1.000 1.00 0.00 C ATOM 370 CG1 VAL A 24 -11.200 -0.947 0.646 1.00 0.00 C ATOM 371 CG2 VAL A 24 -11.292 1.439 0.212 1.00 0.00 C ATOM 0 H VAL A 24 -13.521 1.959 1.819 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.437 0.546 -0.539 1.00 0.00 H new ATOM 0 HB VAL A 24 -11.971 0.424 2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.177 -0.867 1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.686 -1.806 1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.187 -1.076 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.239 1.489 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.377 1.232 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.772 2.392 0.436 1.00 0.00 H new ATOM 381 N GLU A 25 -14.042 -1.783 -0.373 1.00 0.00 N ATOM 382 CA GLU A 25 -14.581 -3.119 -0.420 1.00 0.00 C ATOM 383 C GLU A 25 -13.718 -3.985 0.499 1.00 0.00 C ATOM 384 O GLU A 25 -12.784 -4.659 0.055 1.00 0.00 O ATOM 385 CB GLU A 25 -14.602 -3.656 -1.854 1.00 0.00 C ATOM 386 CG GLU A 25 -15.227 -2.738 -2.903 1.00 0.00 C ATOM 387 CD GLU A 25 -15.615 -3.498 -4.193 1.00 0.00 C ATOM 388 OE1 GLU A 25 -15.126 -4.634 -4.422 1.00 0.00 O ATOM 389 OE2 GLU A 25 -16.314 -2.911 -5.050 1.00 0.00 O ATOM 0 H GLU A 25 -13.558 -1.511 -1.228 1.00 0.00 H new ATOM 0 HA GLU A 25 -15.617 -3.130 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.577 -3.874 -2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.143 -4.602 -1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -16.114 -2.262 -2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.525 -1.942 -3.150 1.00 0.00 H new ATOM 396 N SER A 26 -14.012 -3.938 1.795 1.00 0.00 N ATOM 397 CA SER A 26 -13.291 -4.620 2.857 1.00 0.00 C ATOM 398 C SER A 26 -13.344 -6.153 2.705 1.00 0.00 C ATOM 399 O SER A 26 -12.645 -6.884 3.408 1.00 0.00 O ATOM 400 CB SER A 26 -13.883 -4.169 4.196 1.00 0.00 C ATOM 401 OG SER A 26 -15.286 -4.374 4.185 1.00 0.00 O ATOM 0 H SER A 26 -14.800 -3.395 2.147 1.00 0.00 H new ATOM 0 HA SER A 26 -12.235 -4.354 2.805 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.429 -4.729 5.014 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.660 -3.116 4.368 1.00 0.00 H new ATOM 0 HG SER A 26 -15.665 -4.087 5.042 1.00 0.00 H new ATOM 407 N SER A 27 -14.193 -6.643 1.800 1.00 0.00 N ATOM 408 CA SER A 27 -14.524 -8.041 1.559 1.00 0.00 C ATOM 409 C SER A 27 -14.055 -8.505 0.166 1.00 0.00 C ATOM 410 O SER A 27 -14.524 -9.532 -0.335 1.00 0.00 O ATOM 411 CB SER A 27 -16.045 -8.170 1.700 1.00 0.00 C ATOM 412 OG SER A 27 -16.491 -7.707 2.971 1.00 0.00 O ATOM 0 H SER A 27 -14.703 -6.023 1.171 1.00 0.00 H new ATOM 0 HA SER A 27 -14.012 -8.680 2.278 1.00 0.00 H new ATOM 0 HB2 SER A 27 -16.535 -7.599 0.911 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.337 -9.212 1.568 1.00 0.00 H new ATOM 0 HG SER A 27 -17.465 -7.800 3.030 1.00 0.00 H new ATOM 418 N SER A 28 -13.192 -7.730 -0.491 1.00 0.00 N ATOM 419 CA SER A 28 -12.876 -7.836 -1.907 1.00 0.00 C ATOM 420 C SER A 28 -11.381 -7.646 -2.121 1.00 0.00 C ATOM 421 O SER A 28 -10.665 -7.272 -1.183 1.00 0.00 O ATOM 422 CB SER A 28 -13.644 -6.721 -2.605 1.00 0.00 C ATOM 423 OG SER A 28 -14.067 -7.051 -3.904 1.00 0.00 O ATOM 0 H SER A 28 -12.675 -6.982 -0.028 1.00 0.00 H new ATOM 0 HA SER A 28 -13.150 -8.814 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.516 -6.461 -2.004 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.014 -5.833 -2.653 1.00 0.00 H new ATOM 0 HG SER A 28 -14.421 -6.251 -4.346 1.00 0.00 H new ATOM 429 N LYS A 29 -10.912 -7.825 -3.368 1.00 0.00 N ATOM 430 CA LYS A 29 -9.488 -7.651 -3.657 1.00 0.00 C ATOM 431 C LYS A 29 -8.985 -6.297 -3.198 1.00 0.00 C ATOM 432 O LYS A 29 -7.839 -6.198 -2.772 1.00 0.00 O ATOM 433 CB LYS A 29 -9.068 -8.014 -5.098 1.00 0.00 C ATOM 434 CG LYS A 29 -9.003 -6.859 -6.106 1.00 0.00 C ATOM 435 CD LYS A 29 -10.380 -6.516 -6.675 1.00 0.00 C ATOM 436 CE LYS A 29 -10.365 -5.015 -6.940 1.00 0.00 C ATOM 437 NZ LYS A 29 -11.494 -4.573 -7.777 1.00 0.00 N ATOM 0 H LYS A 29 -11.486 -8.084 -4.171 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.975 -8.401 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.087 -8.487 -5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.766 -8.760 -5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.582 -5.978 -5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.331 -7.127 -6.921 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.572 -7.072 -7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.169 -6.780 -5.971 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.393 -4.482 -5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.429 -4.746 -7.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.435 -3.545 -7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.456 -5.058 -8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.390 -4.803 -7.301 1.00 0.00 H new ATOM 451 N LEU A 30 -9.805 -5.247 -3.306 1.00 0.00 N ATOM 452 CA LEU A 30 -9.274 -3.901 -3.150 1.00 0.00 C ATOM 453 C LEU A 30 -8.619 -3.671 -1.807 1.00 0.00 C ATOM 454 O LEU A 30 -7.551 -3.083 -1.709 1.00 0.00 O ATOM 455 CB LEU A 30 -10.308 -2.797 -3.337 1.00 0.00 C ATOM 456 CG LEU A 30 -9.509 -1.517 -3.629 1.00 0.00 C ATOM 457 CD1 LEU A 30 -9.797 -1.156 -5.061 1.00 0.00 C ATOM 458 CD2 LEU A 30 -9.733 -0.474 -2.553 1.00 0.00 C ATOM 0 H LEU A 30 -10.806 -5.303 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.534 -3.842 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.985 -3.031 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.920 -2.680 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.428 -1.637 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.252 -0.249 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.481 -1.971 -5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.866 -0.986 -5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.155 0.420 -2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.792 -0.220 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.413 -0.871 -1.589 1.00 0.00 H new ATOM 470 N TRP A 31 -9.278 -4.088 -0.748 1.00 0.00 N ATOM 471 CA TRP A 31 -8.774 -3.928 0.608 1.00 0.00 C ATOM 472 C TRP A 31 -7.375 -4.543 0.751 1.00 0.00 C ATOM 473 O TRP A 31 -6.521 -3.957 1.420 1.00 0.00 O ATOM 474 CB TRP A 31 -9.805 -4.540 1.555 1.00 0.00 C ATOM 475 CG TRP A 31 -9.434 -4.560 2.997 1.00 0.00 C ATOM 476 CD1 TRP A 31 -9.336 -3.476 3.792 1.00 0.00 C ATOM 477 CD2 TRP A 31 -9.002 -5.693 3.799 1.00 0.00 C ATOM 478 NE1 TRP A 31 -8.908 -3.865 5.051 1.00 0.00 N ATOM 479 CE2 TRP A 31 -8.670 -5.224 5.104 1.00 0.00 C ATOM 480 CE3 TRP A 31 -8.747 -7.050 3.515 1.00 0.00 C ATOM 481 CZ2 TRP A 31 -8.098 -6.067 6.071 1.00 0.00 C ATOM 482 CZ3 TRP A 31 -8.132 -7.887 4.461 1.00 0.00 C ATOM 483 CH2 TRP A 31 -7.785 -7.393 5.728 1.00 0.00 C ATOM 0 H TRP A 31 -10.185 -4.551 -0.799 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.647 -2.875 0.861 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -10.740 -3.989 1.448 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -10.000 -5.564 1.236 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -9.557 -2.462 3.494 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -8.784 -3.229 5.838 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -9.029 -7.453 2.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.901 -5.700 7.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -7.925 -8.917 4.212 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.279 -8.031 6.438 1.00 0.00 H new ATOM 494 N ALA A 32 -7.091 -5.627 0.035 1.00 0.00 N ATOM 495 CA ALA A 32 -5.766 -6.232 -0.066 1.00 0.00 C ATOM 496 C ALA A 32 -4.857 -5.591 -1.137 1.00 0.00 C ATOM 497 O ALA A 32 -3.634 -5.690 -1.002 1.00 0.00 O ATOM 498 CB ALA A 32 -5.951 -7.718 -0.344 1.00 0.00 C ATOM 0 H ALA A 32 -7.798 -6.124 -0.507 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.250 -6.061 0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.975 -8.197 -0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.513 -8.174 0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.497 -7.848 -1.278 1.00 0.00 H new ATOM 504 N GLN A 33 -5.400 -4.902 -2.155 1.00 0.00 N ATOM 505 CA GLN A 33 -4.661 -4.183 -3.212 1.00 0.00 C ATOM 506 C GLN A 33 -3.664 -3.179 -2.618 1.00 0.00 C ATOM 507 O GLN A 33 -2.684 -2.836 -3.284 1.00 0.00 O ATOM 508 CB GLN A 33 -5.604 -3.447 -4.199 1.00 0.00 C ATOM 509 CG GLN A 33 -6.286 -4.369 -5.225 1.00 0.00 C ATOM 510 CD GLN A 33 -5.577 -4.635 -6.547 1.00 0.00 C ATOM 511 OE1 GLN A 33 -5.660 -5.733 -7.092 1.00 0.00 O ATOM 512 NE2 GLN A 33 -4.979 -3.630 -7.153 1.00 0.00 N ATOM 0 H GLN A 33 -6.411 -4.826 -2.271 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.115 -4.946 -3.767 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.373 -2.925 -3.629 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -5.032 -2.688 -4.733 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.460 -5.331 -4.742 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.264 -3.945 -5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.915 -2.722 -6.693 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.580 -3.760 -8.083 1.00 0.00 H new ATOM 521 N CYS A 34 -3.910 -2.720 -1.383 1.00 0.00 N ATOM 522 CA CYS A 34 -2.990 -1.890 -0.619 1.00 0.00 C ATOM 523 C CYS A 34 -2.103 -2.760 0.263 1.00 0.00 C ATOM 524 O CYS A 34 -0.884 -2.736 0.147 1.00 0.00 O ATOM 525 CB CYS A 34 -3.757 -0.887 0.259 1.00 0.00 C ATOM 526 SG CYS A 34 -2.623 0.391 0.867 1.00 0.00 S ATOM 0 H CYS A 34 -4.775 -2.924 -0.883 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.370 -1.337 -1.325 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.562 -0.428 -0.315 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.220 -1.405 1.099 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.305 1.346 1.425 1.00 0.00 H new ATOM 532 N VAL A 35 -2.709 -3.477 1.207 1.00 0.00 N ATOM 533 CA VAL A 35 -2.034 -3.886 2.430 1.00 0.00 C ATOM 534 C VAL A 35 -0.973 -4.960 2.178 1.00 0.00 C ATOM 535 O VAL A 35 0.045 -4.939 2.873 1.00 0.00 O ATOM 536 CB VAL A 35 -3.120 -4.302 3.432 1.00 0.00 C ATOM 537 CG1 VAL A 35 -2.608 -5.016 4.686 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.904 -3.054 3.884 1.00 0.00 C ATOM 0 H VAL A 35 -3.678 -3.788 1.143 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.462 -3.059 2.851 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.742 -5.019 2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.450 -5.269 5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.085 -5.928 4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.923 -4.360 5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.676 -3.347 4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.222 -2.348 4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.369 -2.583 3.018 1.00 0.00 H new ATOM 548 N GLN A 36 -1.150 -5.852 1.192 1.00 0.00 N ATOM 549 CA GLN A 36 -0.064 -6.758 0.814 1.00 0.00 C ATOM 550 C GLN A 36 1.088 -5.957 0.194 1.00 0.00 C ATOM 551 O GLN A 36 2.264 -6.253 0.381 1.00 0.00 O ATOM 552 CB GLN A 36 -0.569 -7.893 -0.102 1.00 0.00 C ATOM 553 CG GLN A 36 -0.964 -7.538 -1.548 1.00 0.00 C ATOM 554 CD GLN A 36 0.081 -7.998 -2.569 1.00 0.00 C ATOM 555 OE1 GLN A 36 1.165 -7.257 -2.685 1.00 0.00 O flip ATOM 556 NE2 GLN A 36 -0.079 -9.007 -3.255 1.00 0.00 N flip ATOM 0 H GLN A 36 -2.011 -5.962 0.657 1.00 0.00 H new ATOM 0 HA GLN A 36 0.321 -7.249 1.708 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.208 -8.656 -0.147 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.435 -8.348 0.378 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.924 -7.998 -1.783 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.098 -6.459 -1.631 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.925 -9.566 -3.150 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.635 -9.284 -3.929 1.00 0.00 H new ATOM 565 N LEU A 37 0.745 -4.934 -0.590 1.00 0.00 N ATOM 566 CA LEU A 37 1.669 -4.178 -1.414 1.00 0.00 C ATOM 567 C LEU A 37 2.470 -3.177 -0.587 1.00 0.00 C ATOM 568 O LEU A 37 3.566 -2.802 -0.992 1.00 0.00 O ATOM 569 CB LEU A 37 0.874 -3.498 -2.526 1.00 0.00 C ATOM 570 CG LEU A 37 1.722 -3.114 -3.751 1.00 0.00 C ATOM 571 CD1 LEU A 37 2.726 -4.181 -4.212 1.00 0.00 C ATOM 572 CD2 LEU A 37 0.747 -2.929 -4.901 1.00 0.00 C ATOM 0 H LEU A 37 -0.217 -4.604 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 37 2.403 -4.851 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.072 -4.163 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.403 -2.600 -2.126 1.00 0.00 H new ATOM 0 HG LEU A 37 2.300 -2.233 -3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.274 -3.814 -5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.427 -4.394 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.191 -5.093 -4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.295 -2.654 -5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.208 -3.860 -5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.037 -2.140 -4.653 1.00 0.00 H new ATOM 584 N HIS A 38 1.955 -2.763 0.574 1.00 0.00 N ATOM 585 CA HIS A 38 2.677 -2.004 1.576 1.00 0.00 C ATOM 586 C HIS A 38 3.874 -2.808 2.075 1.00 0.00 C ATOM 587 O HIS A 38 5.001 -2.315 2.028 1.00 0.00 O ATOM 588 CB HIS A 38 1.689 -1.612 2.681 1.00 0.00 C ATOM 589 CG HIS A 38 2.304 -0.834 3.809 1.00 0.00 C ATOM 590 ND1 HIS A 38 2.521 0.515 3.815 1.00 0.00 N flip ATOM 591 CD2 HIS A 38 2.680 -1.329 5.039 1.00 0.00 C flip ATOM 592 CE1 HIS A 38 3.016 0.853 5.073 1.00 0.00 C flip ATOM 593 NE2 HIS A 38 3.081 -0.284 5.783 1.00 0.00 N flip ATOM 0 H HIS A 38 0.991 -2.958 0.843 1.00 0.00 H new ATOM 0 HA HIS A 38 3.091 -1.084 1.163 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.886 -1.020 2.242 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.234 -2.517 3.084 1.00 0.00 H new ATOM 0 HD1 HIS A 38 2.352 1.157 3.041 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.657 -2.364 5.348 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.294 1.840 5.412 1.00 0.00 H new ATOM 601 N ASN A 39 3.661 -4.068 2.475 1.00 0.00 N ATOM 602 CA ASN A 39 4.755 -4.883 3.010 1.00 0.00 C ATOM 603 C ASN A 39 5.852 -5.032 1.966 1.00 0.00 C ATOM 604 O ASN A 39 7.045 -4.992 2.265 1.00 0.00 O ATOM 605 CB ASN A 39 4.344 -6.317 3.366 1.00 0.00 C ATOM 606 CG ASN A 39 3.029 -6.415 4.088 1.00 0.00 C ATOM 607 OD1 ASN A 39 2.776 -5.695 5.046 1.00 0.00 O ATOM 608 ND2 ASN A 39 2.140 -7.269 3.627 1.00 0.00 N ATOM 0 H ASN A 39 2.756 -4.538 2.439 1.00 0.00 H new ATOM 0 HA ASN A 39 5.078 -4.359 3.910 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.289 -6.906 2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.121 -6.763 3.986 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.223 -7.339 4.069 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.368 -7.861 2.828 1.00 0.00 H new ATOM 615 N ASP A 40 5.421 -5.252 0.723 1.00 0.00 N ATOM 616 CA ASP A 40 6.291 -5.606 -0.383 1.00 0.00 C ATOM 617 C ASP A 40 7.179 -4.423 -0.797 1.00 0.00 C ATOM 618 O ASP A 40 8.112 -4.614 -1.585 1.00 0.00 O ATOM 619 CB ASP A 40 5.460 -6.099 -1.578 1.00 0.00 C ATOM 620 CG ASP A 40 4.806 -7.472 -1.391 1.00 0.00 C ATOM 621 OD1 ASP A 40 5.062 -8.181 -0.391 1.00 0.00 O ATOM 622 OD2 ASP A 40 4.031 -7.880 -2.285 1.00 0.00 O ATOM 0 H ASP A 40 4.438 -5.186 0.459 1.00 0.00 H new ATOM 0 HA ASP A 40 6.945 -6.413 -0.052 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.679 -5.367 -1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.103 -6.137 -2.457 1.00 0.00 H new ATOM 627 N ILE A 41 6.928 -3.216 -0.265 1.00 0.00 N ATOM 628 CA ILE A 41 7.861 -2.099 -0.339 1.00 0.00 C ATOM 629 C ILE A 41 9.014 -2.387 0.625 1.00 0.00 C ATOM 630 O ILE A 41 10.156 -2.501 0.196 1.00 0.00 O ATOM 631 CB ILE A 41 7.213 -0.742 0.042 1.00 0.00 C ATOM 632 CG1 ILE A 41 5.884 -0.417 -0.658 1.00 0.00 C ATOM 633 CG2 ILE A 41 8.233 0.380 -0.202 1.00 0.00 C ATOM 634 CD1 ILE A 41 5.869 -0.609 -2.168 1.00 0.00 C ATOM 0 H ILE A 41 6.064 -2.995 0.230 1.00 0.00 H new ATOM 0 HA ILE A 41 8.200 -2.010 -1.371 1.00 0.00 H new ATOM 0 HB ILE A 41 6.947 -0.824 1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.103 -1.041 -0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.623 0.618 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.789 1.340 0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.117 0.208 0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.518 0.390 -1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.884 -0.351 -2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.620 0.036 -2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.092 -1.649 -2.405 1.00 0.00 H new ATOM 646 N LEU A 42 8.737 -2.469 1.933 1.00 0.00 N ATOM 647 CA LEU A 42 9.790 -2.484 2.950 1.00 0.00 C ATOM 648 C LEU A 42 10.691 -3.693 2.827 1.00 0.00 C ATOM 649 O LEU A 42 11.837 -3.662 3.277 1.00 0.00 O ATOM 650 CB LEU A 42 9.223 -2.471 4.374 1.00 0.00 C ATOM 651 CG LEU A 42 8.401 -1.230 4.723 1.00 0.00 C ATOM 652 CD1 LEU A 42 8.000 -1.309 6.201 1.00 0.00 C ATOM 653 CD2 LEU A 42 9.154 0.075 4.458 1.00 0.00 C ATOM 0 H LEU A 42 7.791 -2.526 2.309 1.00 0.00 H new ATOM 0 HA LEU A 42 10.365 -1.575 2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.598 -3.354 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.049 -2.553 5.080 1.00 0.00 H new ATOM 0 HG LEU A 42 7.521 -1.218 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.412 -0.430 6.466 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.406 -2.207 6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.897 -1.346 6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.521 0.921 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.063 0.099 5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.416 0.136 3.402 1.00 0.00 H new ATOM 665 N LEU A 43 10.172 -4.772 2.250 1.00 0.00 N ATOM 666 CA LEU A 43 10.978 -5.928 1.944 1.00 0.00 C ATOM 667 C LEU A 43 11.633 -5.701 0.592 1.00 0.00 C ATOM 668 O LEU A 43 12.861 -5.630 0.536 1.00 0.00 O ATOM 669 CB LEU A 43 10.144 -7.207 2.023 1.00 0.00 C ATOM 670 CG LEU A 43 10.022 -7.680 3.487 1.00 0.00 C ATOM 671 CD1 LEU A 43 9.157 -6.786 4.396 1.00 0.00 C ATOM 672 CD2 LEU A 43 9.441 -9.084 3.489 1.00 0.00 C ATOM 0 H LEU A 43 9.190 -4.861 1.987 1.00 0.00 H new ATOM 0 HA LEU A 43 11.770 -6.063 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.152 -7.028 1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.606 -7.988 1.419 1.00 0.00 H new ATOM 0 HG LEU A 43 11.029 -7.637 3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.135 -7.204 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.581 -5.782 4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.142 -6.738 4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.347 -9.437 4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.458 -9.072 3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.101 -9.752 2.935 1.00 0.00 H new ATOM 684 N ALA A 44 10.828 -5.531 -0.466 1.00 0.00 N ATOM 685 CA ALA A 44 11.295 -5.438 -1.842 1.00 0.00 C ATOM 686 C ALA A 44 12.357 -6.480 -2.200 1.00 0.00 C ATOM 687 O ALA A 44 12.349 -7.615 -1.717 1.00 0.00 O ATOM 688 CB ALA A 44 11.673 -3.996 -2.181 1.00 0.00 C ATOM 0 H ALA A 44 9.815 -5.454 -0.379 1.00 0.00 H new ATOM 0 HA ALA A 44 10.465 -5.703 -2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 44 12.020 -3.944 -3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.801 -3.353 -2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.467 -3.662 -1.514 1.00 0.00 H new ATOM 694 N LYS A 45 13.176 -6.122 -3.184 1.00 0.00 N ATOM 695 CA LYS A 45 14.274 -6.902 -3.718 1.00 0.00 C ATOM 696 C LYS A 45 15.474 -5.973 -3.811 1.00 0.00 C ATOM 697 O LYS A 45 16.524 -6.222 -3.222 1.00 0.00 O ATOM 698 CB LYS A 45 13.897 -7.463 -5.091 1.00 0.00 C ATOM 699 CG LYS A 45 12.641 -8.345 -5.062 1.00 0.00 C ATOM 700 CD LYS A 45 12.482 -9.053 -6.408 1.00 0.00 C ATOM 701 CE LYS A 45 11.618 -10.310 -6.283 1.00 0.00 C ATOM 702 NZ LYS A 45 11.728 -11.129 -7.505 1.00 0.00 N ATOM 0 H LYS A 45 13.080 -5.223 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 45 14.507 -7.752 -3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.736 -6.636 -5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.732 -8.045 -5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.718 -9.079 -4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.761 -7.736 -4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.031 -8.370 -7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.464 -9.323 -6.797 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.933 -10.892 -5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.578 -10.030 -6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.137 -11.979 -7.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.406 -10.575 -8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.719 -11.411 -7.646 1.00 0.00 H new ATOM 716 N ASP A 46 15.274 -4.858 -4.507 1.00 0.00 N ATOM 717 CA ASP A 46 16.240 -3.793 -4.720 1.00 0.00 C ATOM 718 C ASP A 46 15.600 -2.516 -4.183 1.00 0.00 C ATOM 719 O ASP A 46 14.386 -2.483 -3.962 1.00 0.00 O ATOM 720 CB ASP A 46 16.576 -3.626 -6.214 1.00 0.00 C ATOM 721 CG ASP A 46 16.424 -4.915 -7.033 1.00 0.00 C ATOM 722 OD1 ASP A 46 17.259 -5.842 -6.912 1.00 0.00 O ATOM 723 OD2 ASP A 46 15.426 -5.036 -7.777 1.00 0.00 O ATOM 0 H ASP A 46 14.382 -4.666 -4.962 1.00 0.00 H new ATOM 0 HA ASP A 46 17.176 -4.023 -4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 46 15.928 -2.859 -6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.601 -3.266 -6.308 1.00 0.00 H new ATOM 728 N THR A 47 16.375 -1.440 -4.040 1.00 0.00 N ATOM 729 CA THR A 47 15.838 -0.155 -3.604 1.00 0.00 C ATOM 730 C THR A 47 14.767 0.344 -4.575 1.00 0.00 C ATOM 731 O THR A 47 13.688 0.746 -4.138 1.00 0.00 O ATOM 732 CB THR A 47 16.965 0.875 -3.509 1.00 0.00 C ATOM 733 OG1 THR A 47 17.922 0.488 -2.544 1.00 0.00 O ATOM 734 CG2 THR A 47 16.416 2.252 -3.117 1.00 0.00 C ATOM 0 H THR A 47 17.379 -1.435 -4.221 1.00 0.00 H new ATOM 0 HA THR A 47 15.383 -0.289 -2.623 1.00 0.00 H new ATOM 0 HB THR A 47 17.433 0.930 -4.492 1.00 0.00 H new ATOM 0 HG1 THR A 47 18.634 1.160 -2.501 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.237 2.967 -3.056 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.699 2.585 -3.868 1.00 0.00 H new ATOM 0 HG23 THR A 47 15.921 2.184 -2.148 1.00 0.00 H new ATOM 742 N THR A 48 15.078 0.368 -5.877 1.00 0.00 N ATOM 743 CA THR A 48 14.158 0.878 -6.881 1.00 0.00 C ATOM 744 C THR A 48 12.861 0.074 -6.791 1.00 0.00 C ATOM 745 O THR A 48 11.785 0.630 -6.594 1.00 0.00 O ATOM 746 CB THR A 48 14.877 0.888 -8.246 1.00 0.00 C ATOM 747 OG1 THR A 48 14.301 1.790 -9.167 1.00 0.00 O ATOM 748 CG2 THR A 48 15.092 -0.478 -8.900 1.00 0.00 C ATOM 0 H THR A 48 15.966 0.037 -6.253 1.00 0.00 H new ATOM 0 HA THR A 48 13.860 1.914 -6.720 1.00 0.00 H new ATOM 0 HB THR A 48 15.873 1.242 -7.981 1.00 0.00 H new ATOM 0 HG1 THR A 48 13.635 1.321 -9.712 1.00 0.00 H new ATOM 0 HG21 THR A 48 15.605 -0.348 -9.853 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.697 -1.104 -8.244 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.127 -0.956 -9.070 1.00 0.00 H new ATOM 756 N GLU A 49 12.987 -1.250 -6.766 1.00 0.00 N ATOM 757 CA GLU A 49 11.882 -2.200 -6.829 1.00 0.00 C ATOM 758 C GLU A 49 11.058 -2.215 -5.520 1.00 0.00 C ATOM 759 O GLU A 49 10.087 -2.963 -5.383 1.00 0.00 O ATOM 760 CB GLU A 49 12.502 -3.570 -7.180 1.00 0.00 C ATOM 761 CG GLU A 49 11.614 -4.826 -7.177 1.00 0.00 C ATOM 762 CD GLU A 49 10.403 -4.817 -8.123 1.00 0.00 C ATOM 763 OE1 GLU A 49 9.871 -3.745 -8.472 1.00 0.00 O ATOM 764 OE2 GLU A 49 9.941 -5.933 -8.482 1.00 0.00 O ATOM 0 H GLU A 49 13.896 -1.707 -6.699 1.00 0.00 H new ATOM 0 HA GLU A 49 11.159 -1.916 -7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.943 -3.484 -8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.320 -3.747 -6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.237 -5.684 -7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.251 -4.984 -6.161 1.00 0.00 H new ATOM 771 N ALA A 50 11.428 -1.403 -4.524 1.00 0.00 N ATOM 772 CA ALA A 50 10.541 -1.034 -3.441 1.00 0.00 C ATOM 773 C ALA A 50 9.533 -0.023 -3.971 1.00 0.00 C ATOM 774 O ALA A 50 8.367 -0.358 -4.174 1.00 0.00 O ATOM 775 CB ALA A 50 11.348 -0.506 -2.247 1.00 0.00 C ATOM 0 H ALA A 50 12.357 -0.987 -4.456 1.00 0.00 H new ATOM 0 HA ALA A 50 9.992 -1.901 -3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.668 -0.233 -1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.031 -1.281 -1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.919 0.371 -2.553 1.00 0.00 H new ATOM 781 N PHE A 51 9.954 1.225 -4.181 1.00 0.00 N ATOM 782 CA PHE A 51 9.017 2.293 -4.493 1.00 0.00 C ATOM 783 C PHE A 51 8.409 2.131 -5.888 1.00 0.00 C ATOM 784 O PHE A 51 7.285 2.572 -6.114 1.00 0.00 O ATOM 785 CB PHE A 51 9.661 3.665 -4.267 1.00 0.00 C ATOM 786 CG PHE A 51 10.665 4.093 -5.308 1.00 0.00 C ATOM 787 CD1 PHE A 51 10.210 4.708 -6.485 1.00 0.00 C ATOM 788 CD2 PHE A 51 12.040 3.877 -5.106 1.00 0.00 C ATOM 789 CE1 PHE A 51 11.125 5.065 -7.488 1.00 0.00 C ATOM 790 CE2 PHE A 51 12.958 4.267 -6.097 1.00 0.00 C ATOM 791 CZ PHE A 51 12.501 4.848 -7.294 1.00 0.00 C ATOM 0 H PHE A 51 10.931 1.515 -4.140 1.00 0.00 H new ATOM 0 HA PHE A 51 8.177 2.223 -3.801 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.871 4.414 -4.221 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.153 3.660 -3.294 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.157 4.906 -6.619 1.00 0.00 H new ATOM 0 HD2 PHE A 51 12.389 3.414 -4.195 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.772 5.506 -8.409 1.00 0.00 H new ATOM 0 HE2 PHE A 51 14.016 4.120 -5.939 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.206 5.127 -8.063 1.00 0.00 H new ATOM 801 N GLU A 52 9.062 1.414 -6.799 1.00 0.00 N ATOM 802 CA GLU A 52 8.484 1.071 -8.091 1.00 0.00 C ATOM 803 C GLU A 52 7.130 0.371 -7.945 1.00 0.00 C ATOM 804 O GLU A 52 6.264 0.581 -8.798 1.00 0.00 O ATOM 805 CB GLU A 52 9.470 0.213 -8.895 1.00 0.00 C ATOM 806 CG GLU A 52 10.547 1.093 -9.536 1.00 0.00 C ATOM 807 CD GLU A 52 11.312 0.461 -10.697 1.00 0.00 C ATOM 808 OE1 GLU A 52 10.694 -0.134 -11.610 1.00 0.00 O ATOM 809 OE2 GLU A 52 12.545 0.687 -10.772 1.00 0.00 O ATOM 0 H GLU A 52 10.007 1.055 -6.660 1.00 0.00 H new ATOM 0 HA GLU A 52 8.300 1.997 -8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.936 -0.525 -8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.935 -0.339 -9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.077 2.010 -9.891 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.263 1.379 -8.766 1.00 0.00 H new ATOM 816 N LYS A 53 6.895 -0.379 -6.858 1.00 0.00 N ATOM 817 CA LYS A 53 5.574 -0.946 -6.624 1.00 0.00 C ATOM 818 C LYS A 53 4.564 0.134 -6.264 1.00 0.00 C ATOM 819 O LYS A 53 3.437 0.091 -6.759 1.00 0.00 O ATOM 820 CB LYS A 53 5.561 -2.011 -5.527 1.00 0.00 C ATOM 821 CG LYS A 53 6.672 -3.060 -5.598 1.00 0.00 C ATOM 822 CD LYS A 53 6.269 -4.327 -4.840 1.00 0.00 C ATOM 823 CE LYS A 53 7.279 -5.450 -5.059 1.00 0.00 C ATOM 824 NZ LYS A 53 8.592 -5.174 -4.447 1.00 0.00 N ATOM 0 H LYS A 53 7.591 -0.599 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 53 5.296 -1.423 -7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.623 -1.510 -4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.600 -2.525 -5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.882 -3.305 -6.639 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.590 -2.653 -5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.192 -4.107 -3.775 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.283 -4.653 -5.170 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.879 -6.376 -4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.410 -5.609 -6.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.218 -5.993 -4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.014 -4.335 -4.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.471 -4.999 -3.429 1.00 0.00 H new ATOM 838 N MET A 54 4.926 1.065 -5.372 1.00 0.00 N ATOM 839 CA MET A 54 3.985 2.046 -4.835 1.00 0.00 C ATOM 840 C MET A 54 3.519 3.011 -5.921 1.00 0.00 C ATOM 841 O MET A 54 2.352 3.407 -5.939 1.00 0.00 O ATOM 842 CB MET A 54 4.543 2.793 -3.613 1.00 0.00 C ATOM 843 CG MET A 54 5.494 3.967 -3.880 1.00 0.00 C ATOM 844 SD MET A 54 5.919 4.925 -2.411 1.00 0.00 S ATOM 845 CE MET A 54 7.071 3.772 -1.652 1.00 0.00 C ATOM 0 H MET A 54 5.874 1.156 -5.007 1.00 0.00 H new ATOM 0 HA MET A 54 3.115 1.491 -4.483 1.00 0.00 H new ATOM 0 HB2 MET A 54 3.700 3.167 -3.032 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.066 2.071 -2.986 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.411 3.583 -4.327 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.036 4.631 -4.613 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.337 4.126 -0.656 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.605 2.790 -1.576 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.970 3.701 -2.264 1.00 0.00 H new ATOM 855 N VAL A 55 4.410 3.358 -6.854 1.00 0.00 N ATOM 856 CA VAL A 55 4.090 4.215 -7.989 1.00 0.00 C ATOM 857 C VAL A 55 3.079 3.517 -8.923 1.00 0.00 C ATOM 858 O VAL A 55 2.407 4.166 -9.730 1.00 0.00 O ATOM 859 CB VAL A 55 5.399 4.651 -8.680 1.00 0.00 C ATOM 860 CG1 VAL A 55 5.128 5.605 -9.843 1.00 0.00 C ATOM 861 CG2 VAL A 55 6.314 5.410 -7.702 1.00 0.00 C ATOM 0 H VAL A 55 5.381 3.047 -6.839 1.00 0.00 H new ATOM 0 HA VAL A 55 3.593 5.127 -7.659 1.00 0.00 H new ATOM 0 HB VAL A 55 5.872 3.735 -9.034 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.072 5.891 -10.306 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.497 5.109 -10.581 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.621 6.496 -9.472 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.229 5.706 -8.215 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.799 6.299 -7.337 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.562 4.764 -6.860 1.00 0.00 H new ATOM 871 N SER A 56 2.881 2.211 -8.776 1.00 0.00 N ATOM 872 CA SER A 56 1.906 1.403 -9.498 1.00 0.00 C ATOM 873 C SER A 56 0.737 0.983 -8.593 1.00 0.00 C ATOM 874 O SER A 56 0.028 0.014 -8.874 1.00 0.00 O ATOM 875 CB SER A 56 2.656 0.228 -10.110 1.00 0.00 C ATOM 876 OG SER A 56 3.652 0.730 -10.991 1.00 0.00 O ATOM 0 H SER A 56 3.426 1.659 -8.114 1.00 0.00 H new ATOM 0 HA SER A 56 1.437 1.978 -10.297 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.114 -0.376 -9.327 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.966 -0.420 -10.650 1.00 0.00 H new ATOM 0 HG SER A 56 4.143 -0.018 -11.390 1.00 0.00 H new ATOM 882 N LEU A 57 0.506 1.725 -7.507 1.00 0.00 N ATOM 883 CA LEU A 57 -0.583 1.517 -6.554 1.00 0.00 C ATOM 884 C LEU A 57 -1.352 2.828 -6.448 1.00 0.00 C ATOM 885 O LEU A 57 -2.578 2.875 -6.542 1.00 0.00 O ATOM 886 CB LEU A 57 0.009 0.998 -5.218 1.00 0.00 C ATOM 887 CG LEU A 57 -0.765 1.344 -3.924 1.00 0.00 C ATOM 888 CD1 LEU A 57 -0.739 0.191 -2.913 1.00 0.00 C ATOM 889 CD2 LEU A 57 -0.221 2.601 -3.224 1.00 0.00 C ATOM 0 H LEU A 57 1.097 2.518 -7.259 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.293 0.754 -6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.092 -0.087 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.022 1.390 -5.122 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.788 1.530 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.294 0.478 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.197 -0.693 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.293 -0.032 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.802 2.796 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.824 2.445 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.299 3.455 -3.897 1.00 0.00 H new ATOM 901 N LEU A 58 -0.622 3.924 -6.307 1.00 0.00 N ATOM 902 CA LEU A 58 -1.134 5.222 -5.899 1.00 0.00 C ATOM 903 C LEU A 58 -1.913 5.975 -6.988 1.00 0.00 C ATOM 904 O LEU A 58 -2.217 7.154 -6.824 1.00 0.00 O ATOM 905 CB LEU A 58 0.061 5.995 -5.334 1.00 0.00 C ATOM 906 CG LEU A 58 0.909 6.783 -6.335 1.00 0.00 C ATOM 907 CD1 LEU A 58 2.224 7.243 -5.701 1.00 0.00 C ATOM 908 CD2 LEU A 58 1.166 6.120 -7.683 1.00 0.00 C ATOM 0 H LEU A 58 0.383 3.933 -6.481 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.903 5.096 -5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.310 6.691 -4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.712 5.287 -4.821 1.00 0.00 H new ATOM 0 HG LEU A 58 0.283 7.641 -6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.806 7.800 -6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.011 7.883 -4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.793 6.374 -5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.777 6.777 -8.301 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.689 5.176 -7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.216 5.932 -8.183 1.00 0.00 H new ATOM 920 N SER A 59 -2.194 5.317 -8.111 1.00 0.00 N ATOM 921 CA SER A 59 -3.040 5.803 -9.202 1.00 0.00 C ATOM 922 C SER A 59 -4.180 4.815 -9.472 1.00 0.00 C ATOM 923 O SER A 59 -5.323 5.260 -9.609 1.00 0.00 O ATOM 924 CB SER A 59 -2.189 6.099 -10.451 1.00 0.00 C ATOM 925 OG SER A 59 -2.866 6.910 -11.401 1.00 0.00 O ATOM 0 H SER A 59 -1.821 4.386 -8.295 1.00 0.00 H new ATOM 0 HA SER A 59 -3.505 6.745 -8.912 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.268 6.596 -10.147 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.904 5.158 -10.922 1.00 0.00 H new ATOM 0 HG SER A 59 -2.282 7.068 -12.172 1.00 0.00 H new ATOM 931 N VAL A 60 -3.909 3.502 -9.495 1.00 0.00 N ATOM 932 CA VAL A 60 -4.936 2.492 -9.758 1.00 0.00 C ATOM 933 C VAL A 60 -6.089 2.627 -8.761 1.00 0.00 C ATOM 934 O VAL A 60 -7.248 2.650 -9.173 1.00 0.00 O ATOM 935 CB VAL A 60 -4.346 1.061 -9.857 1.00 0.00 C ATOM 936 CG1 VAL A 60 -3.722 0.515 -8.573 1.00 0.00 C ATOM 937 CG2 VAL A 60 -5.399 0.066 -10.352 1.00 0.00 C ATOM 0 H VAL A 60 -2.979 3.116 -9.333 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.358 2.678 -10.745 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.531 1.165 -10.574 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.341 -0.490 -8.753 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.903 1.164 -8.262 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.477 0.482 -7.787 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.959 -0.929 -10.412 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.239 0.050 -9.658 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.750 0.368 -11.339 1.00 0.00 H new ATOM 947 N LEU A 61 -5.783 2.783 -7.466 1.00 0.00 N ATOM 948 CA LEU A 61 -6.806 2.912 -6.432 1.00 0.00 C ATOM 949 C LEU A 61 -7.675 4.121 -6.664 1.00 0.00 C ATOM 950 O LEU A 61 -8.892 4.038 -6.562 1.00 0.00 O ATOM 951 CB LEU A 61 -6.183 3.081 -5.041 1.00 0.00 C ATOM 952 CG LEU A 61 -5.849 1.800 -4.277 1.00 0.00 C ATOM 953 CD1 LEU A 61 -6.875 0.679 -4.465 1.00 0.00 C ATOM 954 CD2 LEU A 61 -4.440 1.372 -4.610 1.00 0.00 C ATOM 0 H LEU A 61 -4.827 2.822 -7.113 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.395 1.996 -6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.267 3.662 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.867 3.672 -4.432 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.905 2.024 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.567 -0.196 -3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.851 1.017 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.938 0.417 -5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.199 0.458 -4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.359 1.189 -5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.743 2.159 -4.323 1.00 0.00 H new ATOM 966 N LEU A 62 -7.046 5.257 -6.943 1.00 0.00 N ATOM 967 CA LEU A 62 -7.727 6.535 -7.070 1.00 0.00 C ATOM 968 C LEU A 62 -8.789 6.445 -8.145 1.00 0.00 C ATOM 969 O LEU A 62 -9.859 7.023 -7.993 1.00 0.00 O ATOM 970 CB LEU A 62 -6.720 7.619 -7.471 1.00 0.00 C ATOM 971 CG LEU A 62 -5.465 7.753 -6.592 1.00 0.00 C ATOM 972 CD1 LEU A 62 -4.878 9.152 -6.773 1.00 0.00 C ATOM 973 CD2 LEU A 62 -5.676 7.423 -5.111 1.00 0.00 C ATOM 0 H LEU A 62 -6.038 5.315 -7.088 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.185 6.785 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.400 7.424 -8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.237 8.579 -7.476 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.761 6.995 -6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.987 9.256 -6.153 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.611 9.302 -7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.616 9.897 -6.476 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.736 7.546 -4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.425 8.095 -4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.018 6.393 -5.013 1.00 0.00 H new ATOM 985 N SER A 63 -8.531 5.640 -9.171 1.00 0.00 N ATOM 986 CA SER A 63 -9.435 5.453 -10.278 1.00 0.00 C ATOM 987 C SER A 63 -10.628 4.567 -9.904 1.00 0.00 C ATOM 988 O SER A 63 -11.449 4.263 -10.769 1.00 0.00 O ATOM 989 CB SER A 63 -8.602 4.918 -11.445 1.00 0.00 C ATOM 990 OG SER A 63 -9.243 5.124 -12.691 1.00 0.00 O ATOM 0 H SER A 63 -7.672 5.095 -9.249 1.00 0.00 H new ATOM 0 HA SER A 63 -9.899 6.395 -10.572 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.629 5.410 -11.452 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.420 3.853 -11.302 1.00 0.00 H new ATOM 0 HG SER A 63 -10.195 4.906 -12.609 1.00 0.00 H new ATOM 996 N MET A 64 -10.768 4.133 -8.649 1.00 0.00 N ATOM 997 CA MET A 64 -11.972 3.508 -8.116 1.00 0.00 C ATOM 998 C MET A 64 -12.672 4.417 -7.098 1.00 0.00 C ATOM 999 O MET A 64 -13.819 4.124 -6.754 1.00 0.00 O ATOM 1000 CB MET A 64 -11.628 2.116 -7.536 1.00 0.00 C ATOM 1001 CG MET A 64 -11.329 2.060 -6.020 1.00 0.00 C ATOM 1002 SD MET A 64 -12.711 1.415 -5.001 1.00 0.00 S ATOM 1003 CE MET A 64 -12.195 1.706 -3.275 1.00 0.00 C ATOM 0 H MET A 64 -10.022 4.211 -7.958 1.00 0.00 H new ATOM 0 HA MET A 64 -12.685 3.362 -8.927 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.459 1.443 -7.746 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.761 1.728 -8.070 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.451 1.435 -5.858 1.00 0.00 H new ATOM 0 HG3 MET A 64 -11.075 3.062 -5.674 1.00 0.00 H new ATOM 0 HE1 MET A 64 -12.685 0.984 -2.622 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.114 1.593 -3.195 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.478 2.715 -2.976 1.00 0.00 H new ATOM 1013 N GLN A 65 -12.013 5.478 -6.585 1.00 0.00 N ATOM 1014 CA GLN A 65 -12.460 6.081 -5.331 1.00 0.00 C ATOM 1015 C GLN A 65 -12.188 7.567 -5.064 1.00 0.00 C ATOM 1016 O GLN A 65 -12.925 8.146 -4.266 1.00 0.00 O ATOM 1017 CB GLN A 65 -11.938 5.205 -4.192 1.00 0.00 C ATOM 1018 CG GLN A 65 -10.435 5.289 -3.881 1.00 0.00 C ATOM 1019 CD GLN A 65 -9.893 4.059 -3.145 1.00 0.00 C ATOM 1020 OE1 GLN A 65 -10.122 3.870 -1.856 1.00 0.00 O flip ATOM 1021 NE2 GLN A 65 -9.190 3.244 -3.719 1.00 0.00 N flip ATOM 0 H GLN A 65 -11.196 5.917 -7.010 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.547 6.103 -5.411 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.487 5.464 -3.286 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.179 4.168 -4.425 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.886 5.416 -4.814 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.246 6.176 -3.277 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.989 3.354 -4.713 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.803 2.453 -3.205 1.00 0.00 H new ATOM 1030 N GLY A 66 -11.186 8.196 -5.681 1.00 0.00 N ATOM 1031 CA GLY A 66 -10.893 9.608 -5.449 1.00 0.00 C ATOM 1032 C GLY A 66 -10.518 9.924 -3.996 1.00 0.00 C ATOM 1033 O GLY A 66 -11.222 10.665 -3.305 1.00 0.00 O ATOM 0 H GLY A 66 -10.561 7.745 -6.349 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.075 9.913 -6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.763 10.202 -5.729 1.00 0.00 H new ATOM 1037 N ALA A 67 -9.395 9.375 -3.522 1.00 0.00 N ATOM 1038 CA ALA A 67 -8.854 9.675 -2.196 1.00 0.00 C ATOM 1039 C ALA A 67 -7.993 10.952 -2.195 1.00 0.00 C ATOM 1040 O ALA A 67 -7.959 11.703 -3.176 1.00 0.00 O ATOM 1041 CB ALA A 67 -8.076 8.459 -1.687 1.00 0.00 C ATOM 0 H ALA A 67 -8.834 8.707 -4.051 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.682 9.877 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.669 8.675 -0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.744 7.600 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.260 8.235 -2.374 1.00 0.00 H new ATOM 1047 N VAL A 68 -7.278 11.190 -1.092 1.00 0.00 N ATOM 1048 CA VAL A 68 -6.321 12.286 -0.944 1.00 0.00 C ATOM 1049 C VAL A 68 -5.018 11.792 -0.431 1.00 0.00 C ATOM 1050 O VAL A 68 -3.974 12.088 -1.012 1.00 0.00 O ATOM 1051 CB VAL A 68 -6.830 13.381 -0.018 1.00 0.00 C ATOM 1052 CG1 VAL A 68 -7.293 13.009 1.394 1.00 0.00 C ATOM 1053 CG2 VAL A 68 -6.033 14.689 -0.091 1.00 0.00 C ATOM 0 H VAL A 68 -7.352 10.610 -0.256 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.191 12.709 -1.940 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.797 13.573 -0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.623 13.907 1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.119 12.301 1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.466 12.554 1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.462 15.415 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.995 14.498 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.075 15.085 -1.106 1.00 0.00 H new ATOM 1063 N ASP A 69 -5.086 11.037 0.663 1.00 0.00 N ATOM 1064 CA ASP A 69 -3.954 10.881 1.534 1.00 0.00 C ATOM 1065 C ASP A 69 -3.012 9.839 0.915 1.00 0.00 C ATOM 1066 O ASP A 69 -2.126 9.307 1.574 1.00 0.00 O ATOM 1067 CB ASP A 69 -4.355 10.572 3.005 1.00 0.00 C ATOM 1068 CG ASP A 69 -4.103 11.726 3.983 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -4.782 12.774 3.864 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -3.295 11.594 4.933 1.00 0.00 O ATOM 0 H ASP A 69 -5.920 10.528 0.956 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.422 11.829 1.613 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.413 10.311 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.801 9.696 3.344 1.00 0.00 H new ATOM 1075 N ILE A 70 -3.210 9.500 -0.366 1.00 0.00 N ATOM 1076 CA ILE A 70 -2.502 8.390 -0.989 1.00 0.00 C ATOM 1077 C ILE A 70 -0.994 8.624 -0.969 1.00 0.00 C ATOM 1078 O ILE A 70 -0.190 7.698 -0.879 1.00 0.00 O ATOM 1079 CB ILE A 70 -3.030 8.082 -2.413 1.00 0.00 C ATOM 1080 CG1 ILE A 70 -2.735 6.630 -2.846 1.00 0.00 C ATOM 1081 CG2 ILE A 70 -2.437 9.011 -3.496 1.00 0.00 C ATOM 1082 CD1 ILE A 70 -3.603 5.583 -2.151 1.00 0.00 C ATOM 0 H ILE A 70 -3.858 9.985 -0.987 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.703 7.499 -0.394 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.105 8.247 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.878 6.547 -3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.687 6.408 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.847 8.743 -4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.692 10.046 -3.267 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.353 8.901 -3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.333 4.590 -2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.443 5.635 -1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.653 5.776 -2.372 1.00 0.00 H new ATOM 1094 N ASN A 71 -0.622 9.897 -1.048 1.00 0.00 N ATOM 1095 CA ASN A 71 0.756 10.320 -1.029 1.00 0.00 C ATOM 1096 C ASN A 71 1.348 10.133 0.363 1.00 0.00 C ATOM 1097 O ASN A 71 2.551 9.914 0.476 1.00 0.00 O ATOM 1098 CB ASN A 71 0.818 11.812 -1.402 1.00 0.00 C ATOM 1099 CG ASN A 71 0.740 12.116 -2.893 1.00 0.00 C ATOM 1100 OD1 ASN A 71 1.649 12.716 -3.451 1.00 0.00 O ATOM 1101 ND2 ASN A 71 -0.336 11.750 -3.578 1.00 0.00 N ATOM 0 H ASN A 71 -1.285 10.668 -1.128 1.00 0.00 H new ATOM 0 HA ASN A 71 1.326 9.722 -1.740 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.000 12.329 -0.900 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.746 12.229 -1.011 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.407 11.969 -4.572 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.092 11.250 -3.111 1.00 0.00 H new ATOM 1108 N ARG A 72 0.531 10.186 1.422 1.00 0.00 N ATOM 1109 CA ARG A 72 1.047 10.142 2.778 1.00 0.00 C ATOM 1110 C ARG A 72 1.718 8.806 3.050 1.00 0.00 C ATOM 1111 O ARG A 72 2.835 8.780 3.558 1.00 0.00 O ATOM 1112 CB ARG A 72 -0.008 10.440 3.853 1.00 0.00 C ATOM 1113 CG ARG A 72 -0.055 11.918 4.225 1.00 0.00 C ATOM 1114 CD ARG A 72 -0.657 12.771 3.120 1.00 0.00 C ATOM 1115 NE ARG A 72 -0.559 14.193 3.458 1.00 0.00 N ATOM 1116 CZ ARG A 72 -1.258 14.838 4.397 1.00 0.00 C ATOM 1117 NH1 ARG A 72 -2.228 14.257 5.102 1.00 0.00 N ATOM 1118 NH2 ARG A 72 -0.970 16.104 4.636 1.00 0.00 N ATOM 0 H ARG A 72 -0.484 10.259 1.357 1.00 0.00 H new ATOM 0 HA ARG A 72 1.783 10.943 2.845 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.988 10.127 3.493 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.208 9.850 4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.639 12.043 5.137 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.954 12.268 4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.139 12.578 2.181 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.702 12.498 2.970 1.00 0.00 H new ATOM 0 HE ARG A 72 0.110 14.747 2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.464 13.279 4.935 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.734 14.790 5.809 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.229 16.567 4.109 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.488 16.619 5.347 1.00 0.00 H new ATOM 1132 N LEU A 73 1.042 7.695 2.738 1.00 0.00 N ATOM 1133 CA LEU A 73 1.603 6.362 2.981 1.00 0.00 C ATOM 1134 C LEU A 73 2.837 6.126 2.121 1.00 0.00 C ATOM 1135 O LEU A 73 3.699 5.363 2.538 1.00 0.00 O ATOM 1136 CB LEU A 73 0.589 5.220 2.770 1.00 0.00 C ATOM 1137 CG LEU A 73 0.010 5.153 1.342 1.00 0.00 C ATOM 1138 CD1 LEU A 73 -0.025 3.744 0.744 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -1.405 5.716 1.334 1.00 0.00 C ATOM 0 H LEU A 73 0.112 7.692 2.319 1.00 0.00 H new ATOM 0 HA LEU A 73 1.882 6.346 4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.073 4.271 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.231 5.340 3.478 1.00 0.00 H new ATOM 0 HG LEU A 73 0.684 5.745 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.446 3.785 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.988 3.343 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.642 3.099 1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.810 5.667 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.033 5.131 2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.386 6.754 1.667 1.00 0.00 H new ATOM 1151 N CYS A 74 2.944 6.771 0.954 1.00 0.00 N ATOM 1152 CA CYS A 74 4.124 6.668 0.110 1.00 0.00 C ATOM 1153 C CYS A 74 5.338 7.160 0.888 1.00 0.00 C ATOM 1154 O CYS A 74 6.328 6.439 0.998 1.00 0.00 O ATOM 1155 CB CYS A 74 3.913 7.424 -1.207 1.00 0.00 C ATOM 1156 SG CYS A 74 2.561 6.644 -2.145 1.00 0.00 S ATOM 0 H CYS A 74 2.214 7.375 0.575 1.00 0.00 H new ATOM 0 HA CYS A 74 4.302 5.628 -0.162 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.675 8.468 -1.005 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.831 7.415 -1.795 1.00 0.00 H new ATOM 0 HG CYS A 74 1.418 7.039 -1.668 1.00 0.00 H new ATOM 1162 N GLU A 75 5.229 8.354 1.463 1.00 0.00 N ATOM 1163 CA GLU A 75 6.300 8.988 2.217 1.00 0.00 C ATOM 1164 C GLU A 75 6.458 8.409 3.632 1.00 0.00 C ATOM 1165 O GLU A 75 7.433 8.739 4.308 1.00 0.00 O ATOM 1166 CB GLU A 75 6.073 10.507 2.229 1.00 0.00 C ATOM 1167 CG GLU A 75 6.050 11.059 0.789 1.00 0.00 C ATOM 1168 CD GLU A 75 6.116 12.582 0.686 1.00 0.00 C ATOM 1169 OE1 GLU A 75 6.500 13.277 1.658 1.00 0.00 O ATOM 1170 OE2 GLU A 75 5.814 13.103 -0.417 1.00 0.00 O ATOM 0 H GLU A 75 4.379 8.916 1.416 1.00 0.00 H new ATOM 0 HA GLU A 75 7.246 8.774 1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.132 10.736 2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.863 10.995 2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.890 10.635 0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.140 10.715 0.297 1.00 0.00 H new ATOM 1177 N GLU A 76 5.564 7.520 4.090 1.00 0.00 N ATOM 1178 CA GLU A 76 5.916 6.582 5.152 1.00 0.00 C ATOM 1179 C GLU A 76 6.879 5.558 4.537 1.00 0.00 C ATOM 1180 O GLU A 76 8.069 5.519 4.862 1.00 0.00 O ATOM 1181 CB GLU A 76 4.669 5.922 5.801 1.00 0.00 C ATOM 1182 CG GLU A 76 5.113 4.951 6.911 1.00 0.00 C ATOM 1183 CD GLU A 76 4.010 4.226 7.704 1.00 0.00 C ATOM 1184 OE1 GLU A 76 3.004 4.863 8.090 1.00 0.00 O ATOM 1185 OE2 GLU A 76 4.233 3.050 8.088 1.00 0.00 O ATOM 0 H GLU A 76 4.608 7.435 3.745 1.00 0.00 H new ATOM 0 HA GLU A 76 6.400 7.105 5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.014 6.689 6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.094 5.387 5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.755 4.195 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.726 5.508 7.620 1.00 0.00 H new ATOM 1192 N MET A 77 6.364 4.704 3.653 1.00 0.00 N ATOM 1193 CA MET A 77 7.010 3.441 3.323 1.00 0.00 C ATOM 1194 C MET A 77 8.321 3.598 2.543 1.00 0.00 C ATOM 1195 O MET A 77 9.185 2.730 2.640 1.00 0.00 O ATOM 1196 CB MET A 77 5.993 2.502 2.659 1.00 0.00 C ATOM 1197 CG MET A 77 5.406 2.947 1.325 1.00 0.00 C ATOM 1198 SD MET A 77 3.847 2.103 0.920 1.00 0.00 S ATOM 1199 CE MET A 77 3.246 3.208 -0.367 1.00 0.00 C ATOM 0 H MET A 77 5.492 4.870 3.150 1.00 0.00 H new ATOM 0 HA MET A 77 7.337 2.975 4.253 1.00 0.00 H new ATOM 0 HB2 MET A 77 6.472 1.534 2.512 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.170 2.347 3.356 1.00 0.00 H new ATOM 0 HG2 MET A 77 5.235 4.023 1.350 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.131 2.758 0.534 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.480 2.701 -0.953 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.821 4.102 0.090 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.073 3.491 -1.018 1.00 0.00 H new ATOM 1209 N LEU A 78 8.531 4.699 1.813 1.00 0.00 N ATOM 1210 CA LEU A 78 9.813 4.963 1.165 1.00 0.00 C ATOM 1211 C LEU A 78 10.898 5.281 2.187 1.00 0.00 C ATOM 1212 O LEU A 78 12.048 4.875 2.025 1.00 0.00 O ATOM 1213 CB LEU A 78 9.689 6.153 0.194 1.00 0.00 C ATOM 1214 CG LEU A 78 10.153 5.791 -1.217 1.00 0.00 C ATOM 1215 CD1 LEU A 78 9.847 6.948 -2.166 1.00 0.00 C ATOM 1216 CD2 LEU A 78 11.640 5.432 -1.266 1.00 0.00 C ATOM 0 H LEU A 78 7.826 5.420 1.658 1.00 0.00 H new ATOM 0 HA LEU A 78 10.091 4.061 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.652 6.487 0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.281 6.989 0.567 1.00 0.00 H new ATOM 0 HG LEU A 78 9.606 4.902 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.178 6.690 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.774 7.138 -2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.371 7.843 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.921 5.183 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.231 6.282 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.829 4.575 -0.619 1.00 0.00 H new ATOM 1228 N ASP A 79 10.550 6.030 3.228 1.00 0.00 N ATOM 1229 CA ASP A 79 11.506 6.444 4.243 1.00 0.00 C ATOM 1230 C ASP A 79 11.825 5.267 5.161 1.00 0.00 C ATOM 1231 O ASP A 79 12.982 4.979 5.453 1.00 0.00 O ATOM 1232 CB ASP A 79 10.936 7.630 5.017 1.00 0.00 C ATOM 1233 CG ASP A 79 12.041 8.288 5.834 1.00 0.00 C ATOM 1234 OD1 ASP A 79 12.956 8.896 5.229 1.00 0.00 O ATOM 1235 OD2 ASP A 79 12.008 8.205 7.079 1.00 0.00 O ATOM 0 H ASP A 79 9.600 6.365 3.390 1.00 0.00 H new ATOM 0 HA ASP A 79 12.439 6.761 3.777 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.502 8.353 4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.134 7.296 5.675 1.00 0.00 H new ATOM 1240 N ASN A 80 10.791 4.500 5.508 1.00 0.00 N ATOM 1241 CA ASN A 80 10.873 3.344 6.403 1.00 0.00 C ATOM 1242 C ASN A 80 11.702 2.193 5.816 1.00 0.00 C ATOM 1243 O ASN A 80 12.022 1.257 6.546 1.00 0.00 O ATOM 1244 CB ASN A 80 9.470 2.838 6.782 1.00 0.00 C ATOM 1245 CG ASN A 80 8.804 3.671 7.870 1.00 0.00 C ATOM 1246 OD1 ASN A 80 8.604 3.240 9.003 1.00 0.00 O ATOM 1247 ND2 ASN A 80 8.409 4.886 7.556 1.00 0.00 N ATOM 0 H ASN A 80 9.846 4.670 5.165 1.00 0.00 H new ATOM 0 HA ASN A 80 11.386 3.691 7.300 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.838 2.840 5.894 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.543 1.804 7.119 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.939 5.465 8.252 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.573 5.249 6.617 1.00 0.00 H new ATOM 1254 N ARG A 81 12.071 2.219 4.525 1.00 0.00 N ATOM 1255 CA ARG A 81 13.044 1.287 3.958 1.00 0.00 C ATOM 1256 C ARG A 81 14.408 1.934 3.752 1.00 0.00 C ATOM 1257 O ARG A 81 15.436 1.283 3.921 1.00 0.00 O ATOM 1258 CB ARG A 81 12.495 0.670 2.678 1.00 0.00 C ATOM 1259 CG ARG A 81 12.215 1.641 1.523 1.00 0.00 C ATOM 1260 CD ARG A 81 12.889 1.167 0.253 1.00 0.00 C ATOM 1261 NE ARG A 81 14.281 1.627 0.182 1.00 0.00 N ATOM 1262 CZ ARG A 81 15.400 0.912 0.305 1.00 0.00 C ATOM 1263 NH1 ARG A 81 15.379 -0.400 0.485 1.00 0.00 N ATOM 1264 NH2 ARG A 81 16.559 1.552 0.226 1.00 0.00 N ATOM 0 H ARG A 81 11.700 2.888 3.850 1.00 0.00 H new ATOM 0 HA ARG A 81 13.204 0.483 4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.203 -0.082 2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.569 0.148 2.919 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.140 1.723 1.362 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.575 2.637 1.782 1.00 0.00 H new ATOM 0 HD2 ARG A 81 12.861 0.078 0.209 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.338 1.535 -0.612 1.00 0.00 H new ATOM 0 HE ARG A 81 14.409 2.625 0.017 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.488 -0.894 0.533 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.254 -0.916 0.575 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.575 2.561 0.075 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.434 1.035 0.316 1.00 0.00 H new ATOM 1278 N ALA A 82 14.443 3.220 3.411 1.00 0.00 N ATOM 1279 CA ALA A 82 15.676 3.992 3.327 1.00 0.00 C ATOM 1280 C ALA A 82 16.416 4.049 4.676 1.00 0.00 C ATOM 1281 O ALA A 82 17.644 4.017 4.688 1.00 0.00 O ATOM 1282 CB ALA A 82 15.347 5.386 2.798 1.00 0.00 C ATOM 0 H ALA A 82 13.607 3.759 3.183 1.00 0.00 H new ATOM 0 HA ALA A 82 16.359 3.498 2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.262 5.975 2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.895 5.303 1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.649 5.877 3.476 1.00 0.00 H new ATOM 1288 N THR A 83 15.694 4.046 5.796 1.00 0.00 N ATOM 1289 CA THR A 83 16.229 3.985 7.158 1.00 0.00 C ATOM 1290 C THR A 83 16.844 2.605 7.463 1.00 0.00 C ATOM 1291 O THR A 83 17.489 2.416 8.493 1.00 0.00 O ATOM 1292 CB THR A 83 15.106 4.405 8.133 1.00 0.00 C ATOM 1293 OG1 THR A 83 15.592 4.852 9.382 1.00 0.00 O ATOM 1294 CG2 THR A 83 14.117 3.274 8.392 1.00 0.00 C ATOM 0 H THR A 83 14.675 4.088 5.779 1.00 0.00 H new ATOM 0 HA THR A 83 17.059 4.682 7.279 1.00 0.00 H new ATOM 0 HB THR A 83 14.605 5.233 7.631 1.00 0.00 H new ATOM 0 HG1 THR A 83 14.838 5.105 9.955 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.346 3.616 9.083 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.654 2.973 7.452 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.642 2.424 8.827 1.00 0.00 H new ATOM 1302 N LEU A 84 16.643 1.618 6.579 1.00 0.00 N ATOM 1303 CA LEU A 84 17.144 0.250 6.698 1.00 0.00 C ATOM 1304 C LEU A 84 18.230 -0.009 5.662 1.00 0.00 C ATOM 1305 O LEU A 84 18.562 -1.162 5.364 1.00 0.00 O ATOM 1306 CB LEU A 84 16.002 -0.772 6.602 1.00 0.00 C ATOM 1307 CG LEU A 84 14.927 -0.538 7.667 1.00 0.00 C ATOM 1308 CD1 LEU A 84 13.715 -1.433 7.424 1.00 0.00 C ATOM 1309 CD2 LEU A 84 15.435 -0.780 9.087 1.00 0.00 C ATOM 0 H LEU A 84 16.103 1.762 5.726 1.00 0.00 H new ATOM 0 HA LEU A 84 17.591 0.130 7.685 1.00 0.00 H new ATOM 0 HB2 LEU A 84 15.549 -0.716 5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.407 -1.778 6.711 1.00 0.00 H new ATOM 0 HG LEU A 84 14.646 0.511 7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 84 12.966 -1.248 8.194 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.291 -1.213 6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.022 -2.478 7.460 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.629 -0.598 9.798 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.776 -1.811 9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.263 -0.103 9.297 1.00 0.00 H new ATOM 1321 N GLN A 85 18.773 1.057 5.072 1.00 0.00 N ATOM 1322 CA GLN A 85 20.116 0.995 4.521 1.00 0.00 C ATOM 1323 C GLN A 85 21.092 0.661 5.640 1.00 0.00 C ATOM 1324 O GLN A 85 20.833 1.000 6.811 1.00 0.00 O ATOM 1325 CB GLN A 85 20.476 2.312 3.827 1.00 0.00 C ATOM 1326 CG GLN A 85 19.584 2.621 2.614 1.00 0.00 C ATOM 1327 CD GLN A 85 19.834 1.701 1.422 1.00 0.00 C ATOM 1328 OE1 GLN A 85 19.243 0.517 1.406 1.00 0.00 O flip ATOM 1329 NE2 GLN A 85 20.510 2.068 0.464 1.00 0.00 N flip ATOM 0 H GLN A 85 18.307 1.958 4.967 1.00 0.00 H new ATOM 0 HA GLN A 85 20.171 0.213 3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 85 20.396 3.128 4.546 1.00 0.00 H new ATOM 0 HB3 GLN A 85 21.516 2.272 3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 85 18.539 2.540 2.912 1.00 0.00 H new ATOM 0 HG3 GLN A 85 19.748 3.654 2.306 1.00 0.00 H new ATOM 0 HE21 GLN A 85 20.964 2.981 0.480 1.00 0.00 H new ATOM 0 HE22 GLN A 85 20.617 1.459 -0.347 1.00 0.00 H new TER 1338 GLN A 85