USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 706 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 HIS : no HE2:sc= 0.0546 X(o=-0.54,f=-1) USER MOD Set 1.2: A 94 ASN : amide:sc= -0.599 X(o=-0.54,f=-0.51) USER MOD Set 2.1: A 56 ASN : amide:sc= -4.64 K(o=-6.5,f=-7.3) USER MOD Set 2.2: A 59 LYS NZ :NH3+ -154:sc= -0.356 (180deg=-1.43) USER MOD Set 2.3: A 60 TYR OH : rot -140:sc= 0.0616 USER MOD Set 2.4: A 100 GLN : amide:sc= -1.58 K(o=-6.5,f=-12!) USER MOD Single : A 27 SER OG : rot 176:sc= 0.437 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.263 K(o=-0.26,f=-2.8!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -4.17! C(o=-4.2!,f=-8!) USER MOD Single : A 46 MET CE :methyl -166:sc=-0.00453 (180deg=-0.215) USER MOD Single : A 47 LYS NZ :NH3+ 153:sc= -0.0349 (180deg=-0.411) USER MOD Single : A 48 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.05) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 52 ASN : amide:sc= -0.82 X(o=-0.82,f=-0.92) USER MOD Single : A 54 LYS NZ :NH3+ -107:sc= -0.103 (180deg=-0.192) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0427) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= -0.0249 (180deg=-0.234) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0578 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -139:sc= -1.43 USER MOD Single : A 92 MET CE :methyl 152:sc= -0.273 (180deg=-1.11) USER MOD Single : A 93 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.033) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -152:sc= -0.159 (180deg=-1.49) USER MOD Single : A 106 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.54) USER MOD Single : A 107 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.058) USER MOD Single : A 110 HIS :FLIP no HD1:sc= -1.64 F(o=-2.5,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 27 -7.461 -14.950 -7.739 1.00 0.00 N ATOM 16 CA SER A 27 -8.347 -13.825 -7.467 1.00 0.00 C ATOM 17 C SER A 27 -7.544 -12.571 -7.142 1.00 0.00 C ATOM 18 O SER A 27 -6.317 -12.568 -7.234 1.00 0.00 O ATOM 19 CB SER A 27 -9.286 -14.158 -6.306 1.00 0.00 C ATOM 20 OG SER A 27 -10.454 -13.355 -6.348 1.00 0.00 O ATOM 0 HA SER A 27 -8.940 -13.635 -8.362 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.563 -15.211 -6.349 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.768 -14.003 -5.359 1.00 0.00 H new ATOM 0 HG SER A 27 -11.064 -13.627 -5.631 1.00 0.00 H new ATOM 25 N LYS A 28 -8.242 -11.505 -6.760 1.00 0.00 N ATOM 26 CA LYS A 28 -7.584 -10.249 -6.422 1.00 0.00 C ATOM 27 C LYS A 28 -8.595 -9.202 -5.963 1.00 0.00 C ATOM 28 O LYS A 28 -9.802 -9.369 -6.135 1.00 0.00 O ATOM 29 CB LYS A 28 -6.796 -9.718 -7.623 1.00 0.00 C ATOM 30 CG LYS A 28 -7.671 -9.340 -8.808 1.00 0.00 C ATOM 31 CD LYS A 28 -7.821 -10.497 -9.781 1.00 0.00 C ATOM 32 CE LYS A 28 -6.504 -10.824 -10.465 1.00 0.00 C ATOM 33 NZ LYS A 28 -6.696 -11.707 -11.649 1.00 0.00 N ATOM 0 H LYS A 28 -9.258 -11.487 -6.677 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.895 -10.446 -5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.222 -8.845 -7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.078 -10.475 -7.939 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.654 -9.033 -8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.237 -8.484 -9.324 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.184 -11.376 -9.249 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.570 -10.247 -10.532 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.018 -9.900 -10.777 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.837 -11.311 -9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.774 -11.906 -12.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.137 -12.600 -11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.312 -11.232 -12.340 1.00 0.00 H new ATOM 47 N GLN A 29 -8.085 -8.124 -5.381 1.00 0.00 N ATOM 48 CA GLN A 29 -8.928 -7.038 -4.894 1.00 0.00 C ATOM 49 C GLN A 29 -8.293 -5.692 -5.210 1.00 0.00 C ATOM 50 O GLN A 29 -7.073 -5.547 -5.175 1.00 0.00 O ATOM 51 CB GLN A 29 -9.158 -7.173 -3.388 1.00 0.00 C ATOM 52 CG GLN A 29 -10.593 -6.898 -2.966 1.00 0.00 C ATOM 53 CD GLN A 29 -11.352 -8.164 -2.619 1.00 0.00 C ATOM 54 OE1 GLN A 29 -10.815 -9.268 -2.703 1.00 0.00 O ATOM 55 NE2 GLN A 29 -12.612 -8.009 -2.226 1.00 0.00 N ATOM 0 H GLN A 29 -7.086 -7.978 -5.234 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.892 -7.097 -5.399 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.882 -8.180 -3.075 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.495 -6.484 -2.864 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.593 -6.231 -2.104 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.111 -6.377 -3.771 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.018 -7.075 -2.171 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.173 -8.824 -1.980 1.00 0.00 H new ATOM 64 N GLU A 30 -9.124 -4.710 -5.533 1.00 0.00 N ATOM 65 CA GLU A 30 -8.626 -3.386 -5.869 1.00 0.00 C ATOM 66 C GLU A 30 -9.315 -2.304 -5.044 1.00 0.00 C ATOM 67 O GLU A 30 -10.542 -2.202 -5.029 1.00 0.00 O ATOM 68 CB GLU A 30 -8.812 -3.125 -7.365 1.00 0.00 C ATOM 69 CG GLU A 30 -10.243 -2.794 -7.763 1.00 0.00 C ATOM 70 CD GLU A 30 -10.476 -1.303 -7.912 1.00 0.00 C ATOM 71 OE1 GLU A 30 -10.074 -0.544 -7.005 1.00 0.00 O ATOM 72 OE2 GLU A 30 -11.060 -0.892 -8.937 1.00 0.00 O ATOM 0 H GLU A 30 -10.139 -4.805 -5.569 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.563 -3.350 -5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.163 -2.301 -7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.486 -4.005 -7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.479 -3.291 -8.704 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.926 -3.192 -7.013 1.00 0.00 H new ATOM 79 N LEU A 31 -8.512 -1.495 -4.359 1.00 0.00 N ATOM 80 CA LEU A 31 -9.032 -0.415 -3.530 1.00 0.00 C ATOM 81 C LEU A 31 -8.635 0.943 -4.100 1.00 0.00 C ATOM 82 O LEU A 31 -7.572 1.083 -4.706 1.00 0.00 O ATOM 83 CB LEU A 31 -8.515 -0.548 -2.096 1.00 0.00 C ATOM 84 CG LEU A 31 -8.956 -1.814 -1.360 1.00 0.00 C ATOM 85 CD1 LEU A 31 -7.964 -2.942 -1.598 1.00 0.00 C ATOM 86 CD2 LEU A 31 -9.107 -1.539 0.128 1.00 0.00 C ATOM 0 H LEU A 31 -7.495 -1.569 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.120 -0.486 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.426 -0.519 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.847 0.319 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.925 -2.122 -1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.294 -3.835 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.905 -3.156 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.981 -2.645 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.421 -2.450 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.152 -1.207 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.856 -0.762 0.280 1.00 0.00 H new ATOM 98 N ILE A 32 -9.492 1.939 -3.904 1.00 0.00 N ATOM 99 CA ILE A 32 -9.224 3.284 -4.400 1.00 0.00 C ATOM 100 C ILE A 32 -9.011 4.262 -3.249 1.00 0.00 C ATOM 101 O ILE A 32 -9.680 4.180 -2.219 1.00 0.00 O ATOM 102 CB ILE A 32 -10.370 3.798 -5.293 1.00 0.00 C ATOM 103 CG1 ILE A 32 -11.674 3.864 -4.500 1.00 0.00 C ATOM 104 CG2 ILE A 32 -10.529 2.907 -6.516 1.00 0.00 C ATOM 105 CD1 ILE A 32 -12.057 5.270 -4.081 1.00 0.00 C ATOM 0 H ILE A 32 -10.377 1.841 -3.406 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.313 3.223 -4.996 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.124 4.804 -5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.478 3.441 -5.102 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.581 3.241 -3.610 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.342 3.283 -7.137 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.603 2.909 -7.091 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.756 1.889 -6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.993 5.241 -3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -11.272 5.689 -3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.183 5.892 -4.967 1.00 0.00 H new ATOM 117 N LEU A 33 -8.078 5.189 -3.432 1.00 0.00 N ATOM 118 CA LEU A 33 -7.778 6.183 -2.408 1.00 0.00 C ATOM 119 C LEU A 33 -7.694 7.578 -3.018 1.00 0.00 C ATOM 120 O LEU A 33 -7.482 7.727 -4.221 1.00 0.00 O ATOM 121 CB LEU A 33 -6.466 5.843 -1.693 1.00 0.00 C ATOM 122 CG LEU A 33 -6.144 4.349 -1.599 1.00 0.00 C ATOM 123 CD1 LEU A 33 -5.600 3.834 -2.922 1.00 0.00 C ATOM 124 CD2 LEU A 33 -5.154 4.087 -0.472 1.00 0.00 C ATOM 0 H LEU A 33 -7.516 5.273 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.588 6.170 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.648 6.343 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.503 6.255 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.066 3.812 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.377 2.771 -2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.343 3.986 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.689 4.376 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.936 3.020 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.232 4.636 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.584 4.417 0.474 1.00 0.00 H new ATOM 136 N VAL A 34 -7.862 8.596 -2.183 1.00 0.00 N ATOM 137 CA VAL A 34 -7.805 9.977 -2.643 1.00 0.00 C ATOM 138 C VAL A 34 -7.390 10.908 -1.519 1.00 0.00 C ATOM 139 O VAL A 34 -8.051 10.996 -0.484 1.00 0.00 O ATOM 140 CB VAL A 34 -9.154 10.439 -3.209 1.00 0.00 C ATOM 141 CG1 VAL A 34 -9.030 11.819 -3.838 1.00 0.00 C ATOM 142 CG2 VAL A 34 -9.692 9.436 -4.218 1.00 0.00 C ATOM 0 H VAL A 34 -8.039 8.491 -1.184 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.060 10.015 -3.438 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.862 10.502 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.998 12.127 -4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.701 12.534 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.302 11.785 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.649 9.786 -4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.984 9.332 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.829 8.470 -3.733 1.00 0.00 H new ATOM 152 N LEU A 35 -6.282 11.599 -1.734 1.00 0.00 N ATOM 153 CA LEU A 35 -5.751 12.534 -0.744 1.00 0.00 C ATOM 154 C LEU A 35 -5.989 13.978 -1.172 1.00 0.00 C ATOM 155 O LEU A 35 -5.779 14.331 -2.324 1.00 0.00 O ATOM 156 CB LEU A 35 -4.256 12.276 -0.555 1.00 0.00 C ATOM 157 CG LEU A 35 -3.789 12.210 0.904 1.00 0.00 C ATOM 158 CD1 LEU A 35 -3.161 10.854 1.201 1.00 0.00 C ATOM 159 CD2 LEU A 35 -2.810 13.326 1.203 1.00 0.00 C ATOM 0 H LEU A 35 -5.728 11.532 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.270 12.377 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.000 11.337 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.700 13.063 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.659 12.337 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.835 10.824 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.895 10.067 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.303 10.699 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.491 13.261 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.942 13.233 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.292 14.288 1.031 1.00 0.00 H new ATOM 171 N LYS A 36 -6.431 14.804 -0.229 1.00 0.00 N ATOM 172 CA LYS A 36 -6.690 16.208 -0.506 1.00 0.00 C ATOM 173 C LYS A 36 -6.918 16.986 0.787 1.00 0.00 C ATOM 174 O LYS A 36 -7.770 16.633 1.599 1.00 0.00 O ATOM 175 CB LYS A 36 -7.918 16.346 -1.420 1.00 0.00 C ATOM 176 CG LYS A 36 -7.561 16.582 -2.877 1.00 0.00 C ATOM 177 CD LYS A 36 -8.534 17.539 -3.541 1.00 0.00 C ATOM 178 CE LYS A 36 -7.808 18.520 -4.454 1.00 0.00 C ATOM 179 NZ LYS A 36 -8.275 18.408 -5.866 1.00 0.00 N ATOM 0 H LYS A 36 -6.617 14.523 0.734 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.816 16.623 -1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.522 15.442 -1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.534 17.172 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.550 16.985 -2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.562 15.632 -3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.266 16.974 -4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.085 18.088 -2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.969 19.537 -4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.735 18.333 -4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.759 19.090 -6.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.098 17.444 -6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.294 18.611 -5.912 1.00 0.00 H new ATOM 193 N GLY A 37 -6.132 18.047 0.977 1.00 0.00 N ATOM 194 CA GLY A 37 -6.260 18.853 2.173 1.00 0.00 C ATOM 195 C GLY A 37 -5.560 20.189 2.047 1.00 0.00 C ATOM 196 O GLY A 37 -6.175 21.242 2.214 1.00 0.00 O ATOM 0 H GLY A 37 -5.413 18.358 0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.316 19.018 2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.846 18.308 3.021 1.00 0.00 H new ATOM 200 N GLU A 38 -4.266 20.146 1.755 1.00 0.00 N ATOM 201 CA GLU A 38 -3.472 21.367 1.611 1.00 0.00 C ATOM 202 C GLU A 38 -2.748 21.386 0.275 1.00 0.00 C ATOM 203 O GLU A 38 -2.982 22.265 -0.561 1.00 0.00 O ATOM 204 CB GLU A 38 -2.459 21.483 2.753 1.00 0.00 C ATOM 205 CG GLU A 38 -3.093 21.474 4.134 1.00 0.00 C ATOM 206 CD GLU A 38 -2.288 20.674 5.139 1.00 0.00 C ATOM 207 OE1 GLU A 38 -1.214 21.165 5.560 1.00 0.00 O ATOM 208 OE2 GLU A 38 -2.726 19.570 5.513 1.00 0.00 O ATOM 0 H GLU A 38 -3.742 19.283 1.613 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.152 22.218 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.750 20.658 2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.890 22.404 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.195 22.499 4.490 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.098 21.058 4.066 1.00 0.00 H new ATOM 215 N LEU A 39 -1.870 20.407 0.068 1.00 0.00 N ATOM 216 CA LEU A 39 -1.109 20.315 -1.170 1.00 0.00 C ATOM 217 C LEU A 39 -0.635 18.882 -1.412 1.00 0.00 C ATOM 218 O LEU A 39 -0.644 18.059 -0.500 1.00 0.00 O ATOM 219 CB LEU A 39 0.089 21.262 -1.133 1.00 0.00 C ATOM 220 CG LEU A 39 -0.174 22.663 -1.694 1.00 0.00 C ATOM 221 CD1 LEU A 39 1.051 23.543 -1.521 1.00 0.00 C ATOM 222 CD2 LEU A 39 -0.583 22.585 -3.154 1.00 0.00 C ATOM 0 H LEU A 39 -1.670 19.668 0.742 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.764 20.606 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.425 21.358 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.907 20.810 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.996 23.111 -1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.847 24.535 -1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.293 23.626 -0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.894 23.101 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.766 23.590 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.215 22.118 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.493 21.991 -3.246 1.00 0.00 H new ATOM 283 N SER A 43 3.331 12.700 -0.859 1.00 0.00 N ATOM 284 CA SER A 43 2.177 11.976 -0.341 1.00 0.00 C ATOM 285 C SER A 43 2.608 10.695 0.365 1.00 0.00 C ATOM 286 O SER A 43 3.421 9.932 -0.155 1.00 0.00 O ATOM 287 CB SER A 43 1.195 11.645 -1.463 1.00 0.00 C ATOM 288 OG SER A 43 0.219 12.666 -1.598 1.00 0.00 O ATOM 0 HA SER A 43 1.679 12.622 0.382 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.736 11.527 -2.402 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.706 10.694 -1.255 1.00 0.00 H new ATOM 0 HG SER A 43 -0.398 12.435 -2.323 1.00 0.00 H new ATOM 294 N LYS A 44 2.061 10.468 1.554 1.00 0.00 N ATOM 295 CA LYS A 44 2.387 9.279 2.333 1.00 0.00 C ATOM 296 C LYS A 44 1.577 8.065 1.867 1.00 0.00 C ATOM 297 O LYS A 44 1.765 6.963 2.373 1.00 0.00 O ATOM 298 CB LYS A 44 2.134 9.533 3.819 1.00 0.00 C ATOM 299 CG LYS A 44 3.090 10.540 4.434 1.00 0.00 C ATOM 300 CD LYS A 44 3.157 10.403 5.950 1.00 0.00 C ATOM 301 CE LYS A 44 4.205 9.381 6.364 1.00 0.00 C ATOM 302 NZ LYS A 44 4.139 9.080 7.821 1.00 0.00 N ATOM 0 H LYS A 44 1.389 11.092 2.000 1.00 0.00 H new ATOM 0 HA LYS A 44 3.444 9.061 2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.112 9.888 3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.215 8.590 4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.085 10.401 4.012 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.772 11.549 4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.392 11.370 6.395 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.182 10.104 6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.061 8.462 5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.197 9.757 6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.868 8.380 8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.302 9.952 8.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.200 8.697 8.054 1.00 0.00 H new ATOM 316 N ASN A 45 0.681 8.285 0.910 1.00 0.00 N ATOM 317 CA ASN A 45 -0.151 7.205 0.386 1.00 0.00 C ATOM 318 C ASN A 45 0.708 6.045 -0.105 1.00 0.00 C ATOM 319 O ASN A 45 0.505 4.899 0.294 1.00 0.00 O ATOM 320 CB ASN A 45 -1.034 7.721 -0.751 1.00 0.00 C ATOM 321 CG ASN A 45 -2.401 7.071 -0.761 1.00 0.00 C ATOM 322 OD1 ASN A 45 -2.521 5.855 -0.901 1.00 0.00 O ATOM 323 ND2 ASN A 45 -3.443 7.882 -0.615 1.00 0.00 N ATOM 0 H ASN A 45 0.512 9.196 0.483 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.787 6.844 1.194 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.149 8.801 -0.657 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.539 7.535 -1.704 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.389 7.502 -0.616 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.297 8.885 -0.502 1.00 0.00 H new ATOM 330 N MET A 46 1.668 6.348 -0.973 1.00 0.00 N ATOM 331 CA MET A 46 2.558 5.330 -1.516 1.00 0.00 C ATOM 332 C MET A 46 3.312 4.619 -0.396 1.00 0.00 C ATOM 333 O MET A 46 3.414 3.391 -0.382 1.00 0.00 O ATOM 334 CB MET A 46 3.549 5.956 -2.499 1.00 0.00 C ATOM 335 CG MET A 46 4.381 7.066 -1.896 1.00 0.00 C ATOM 336 SD MET A 46 5.521 7.799 -3.078 1.00 0.00 S ATOM 337 CE MET A 46 6.716 6.480 -3.260 1.00 0.00 C ATOM 0 H MET A 46 1.849 7.292 -1.315 1.00 0.00 H new ATOM 0 HA MET A 46 1.951 4.596 -2.046 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.214 5.179 -2.876 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.000 6.349 -3.355 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.720 7.840 -1.507 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.944 6.673 -1.049 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.607 6.863 -3.757 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.986 6.096 -2.276 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.284 5.677 -3.857 1.00 0.00 H new ATOM 347 N LYS A 47 3.833 5.395 0.542 1.00 0.00 N ATOM 348 CA LYS A 47 4.571 4.839 1.667 1.00 0.00 C ATOM 349 C LYS A 47 3.639 4.113 2.630 1.00 0.00 C ATOM 350 O LYS A 47 4.073 3.261 3.406 1.00 0.00 O ATOM 351 CB LYS A 47 5.318 5.955 2.414 1.00 0.00 C ATOM 352 CG LYS A 47 6.149 6.842 1.504 1.00 0.00 C ATOM 353 CD LYS A 47 6.969 7.842 2.302 1.00 0.00 C ATOM 354 CE LYS A 47 8.409 7.905 1.812 1.00 0.00 C ATOM 355 NZ LYS A 47 8.486 8.124 0.341 1.00 0.00 N ATOM 0 H LYS A 47 3.759 6.412 0.547 1.00 0.00 H new ATOM 0 HA LYS A 47 5.290 4.120 1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.595 6.572 2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.969 5.506 3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.813 6.225 0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.494 7.374 0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.514 8.830 2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.955 7.566 3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.933 8.710 2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.921 6.977 2.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.379 8.603 0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.446 7.208 -0.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.687 8.715 0.036 1.00 0.00 H new ATOM 369 N ASN A 48 2.352 4.445 2.568 1.00 0.00 N ATOM 370 CA ASN A 48 1.359 3.818 3.430 1.00 0.00 C ATOM 371 C ASN A 48 1.053 2.399 2.963 1.00 0.00 C ATOM 372 O ASN A 48 0.811 1.507 3.776 1.00 0.00 O ATOM 373 CB ASN A 48 0.076 4.651 3.456 1.00 0.00 C ATOM 374 CG ASN A 48 -0.013 5.537 4.680 1.00 0.00 C ATOM 375 OD1 ASN A 48 -0.213 6.749 4.572 1.00 0.00 O ATOM 376 ND2 ASN A 48 0.135 4.936 5.855 1.00 0.00 N ATOM 0 H ASN A 48 1.974 5.145 1.929 1.00 0.00 H new ATOM 0 HA ASN A 48 1.769 3.767 4.439 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.029 5.269 2.559 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.787 3.985 3.429 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.085 5.480 6.716 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.299 3.930 5.896 1.00 0.00 H new ATOM 383 N VAL A 49 1.065 2.195 1.648 1.00 0.00 N ATOM 384 CA VAL A 49 0.788 0.881 1.080 1.00 0.00 C ATOM 385 C VAL A 49 1.988 -0.045 1.229 1.00 0.00 C ATOM 386 O VAL A 49 1.840 -1.213 1.583 1.00 0.00 O ATOM 387 CB VAL A 49 0.411 0.968 -0.410 1.00 0.00 C ATOM 388 CG1 VAL A 49 -0.057 -0.387 -0.921 1.00 0.00 C ATOM 389 CG2 VAL A 49 -0.656 2.031 -0.631 1.00 0.00 C ATOM 0 H VAL A 49 1.263 2.921 0.959 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.059 0.477 1.635 1.00 0.00 H new ATOM 0 HB VAL A 49 1.297 1.256 -0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.319 -0.307 -1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.743 -1.117 -0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.930 -0.708 -0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.909 2.078 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.547 1.778 -0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.277 3.000 -0.306 1.00 0.00 H new ATOM 399 N ILE A 50 3.177 0.481 0.958 1.00 0.00 N ATOM 400 CA ILE A 50 4.396 -0.309 1.068 1.00 0.00 C ATOM 401 C ILE A 50 4.602 -0.787 2.502 1.00 0.00 C ATOM 402 O ILE A 50 5.084 -1.894 2.735 1.00 0.00 O ATOM 403 CB ILE A 50 5.634 0.490 0.613 1.00 0.00 C ATOM 404 CG1 ILE A 50 6.879 -0.398 0.630 1.00 0.00 C ATOM 405 CG2 ILE A 50 5.835 1.712 1.495 1.00 0.00 C ATOM 406 CD1 ILE A 50 7.800 -0.173 -0.550 1.00 0.00 C ATOM 0 H ILE A 50 3.322 1.446 0.662 1.00 0.00 H new ATOM 0 HA ILE A 50 4.279 -1.171 0.411 1.00 0.00 H new ATOM 0 HB ILE A 50 5.469 0.830 -0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.432 -0.216 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.570 -1.443 0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.713 2.263 1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.957 2.355 1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.979 1.395 2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.661 -0.837 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.264 -0.383 -1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.139 0.863 -0.554 1.00 0.00 H new ATOM 418 N ASN A 51 4.226 0.055 3.459 1.00 0.00 N ATOM 419 CA ASN A 51 4.364 -0.281 4.871 1.00 0.00 C ATOM 420 C ASN A 51 3.311 -1.301 5.291 1.00 0.00 C ATOM 421 O ASN A 51 3.612 -2.268 5.989 1.00 0.00 O ATOM 422 CB ASN A 51 4.245 0.977 5.733 1.00 0.00 C ATOM 423 CG ASN A 51 5.581 1.658 5.949 1.00 0.00 C ATOM 424 OD1 ASN A 51 6.461 1.605 5.089 1.00 0.00 O ATOM 425 ND2 ASN A 51 5.736 2.294 7.100 1.00 0.00 N ATOM 0 H ASN A 51 3.823 0.975 3.282 1.00 0.00 H new ATOM 0 HA ASN A 51 5.351 -0.720 5.019 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.557 1.676 5.258 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.815 0.713 6.699 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.615 2.769 7.306 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.976 2.309 7.781 1.00 0.00 H new ATOM 432 N ASN A 52 2.073 -1.077 4.859 1.00 0.00 N ATOM 433 CA ASN A 52 0.974 -1.977 5.189 1.00 0.00 C ATOM 434 C ASN A 52 1.103 -3.290 4.424 1.00 0.00 C ATOM 435 O ASN A 52 0.971 -4.370 4.998 1.00 0.00 O ATOM 436 CB ASN A 52 -0.370 -1.315 4.873 1.00 0.00 C ATOM 437 CG ASN A 52 -0.962 -0.608 6.076 1.00 0.00 C ATOM 438 OD1 ASN A 52 -1.801 -1.163 6.786 1.00 0.00 O ATOM 439 ND2 ASN A 52 -0.527 0.624 6.313 1.00 0.00 N ATOM 0 H ASN A 52 1.807 -0.280 4.280 1.00 0.00 H new ATOM 0 HA ASN A 52 1.019 -2.192 6.257 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.237 -0.598 4.063 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.070 -2.071 4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.889 1.148 7.109 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.169 1.046 5.699 1.00 0.00 H new ATOM 446 N ALA A 53 1.365 -3.186 3.127 1.00 0.00 N ATOM 447 CA ALA A 53 1.517 -4.364 2.281 1.00 0.00 C ATOM 448 C ALA A 53 2.621 -5.274 2.809 1.00 0.00 C ATOM 449 O ALA A 53 2.561 -6.495 2.654 1.00 0.00 O ATOM 450 CB ALA A 53 1.810 -3.947 0.847 1.00 0.00 C ATOM 0 H ALA A 53 1.477 -2.298 2.638 1.00 0.00 H new ATOM 0 HA ALA A 53 0.581 -4.923 2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.921 -4.835 0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.987 -3.340 0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.732 -3.366 0.818 1.00 0.00 H new ATOM 456 N LYS A 54 3.626 -4.672 3.438 1.00 0.00 N ATOM 457 CA LYS A 54 4.740 -5.430 3.994 1.00 0.00 C ATOM 458 C LYS A 54 4.373 -5.999 5.359 1.00 0.00 C ATOM 459 O LYS A 54 4.625 -7.170 5.643 1.00 0.00 O ATOM 460 CB LYS A 54 5.984 -4.547 4.112 1.00 0.00 C ATOM 461 CG LYS A 54 7.290 -5.319 4.010 1.00 0.00 C ATOM 462 CD LYS A 54 7.572 -5.748 2.579 1.00 0.00 C ATOM 463 CE LYS A 54 8.480 -4.756 1.869 1.00 0.00 C ATOM 464 NZ LYS A 54 7.706 -3.772 1.064 1.00 0.00 N ATOM 0 H LYS A 54 3.691 -3.663 3.575 1.00 0.00 H new ATOM 0 HA LYS A 54 4.959 -6.257 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.957 -3.789 3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.956 -4.020 5.066 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.110 -4.699 4.374 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.246 -6.198 4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.037 -6.734 2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.633 -5.838 2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.085 -4.227 2.605 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.169 -5.295 1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.814 -3.989 0.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.700 -3.825 1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.062 -2.813 1.252 1.00 0.00 H new ATOM 478 N LYS A 55 3.771 -5.163 6.198 1.00 0.00 N ATOM 479 CA LYS A 55 3.362 -5.586 7.531 1.00 0.00 C ATOM 480 C LYS A 55 2.352 -6.724 7.443 1.00 0.00 C ATOM 481 O LYS A 55 2.338 -7.623 8.284 1.00 0.00 O ATOM 482 CB LYS A 55 2.759 -4.409 8.301 1.00 0.00 C ATOM 483 CG LYS A 55 2.952 -4.502 9.806 1.00 0.00 C ATOM 484 CD LYS A 55 2.142 -3.444 10.536 1.00 0.00 C ATOM 485 CE LYS A 55 2.545 -3.346 11.999 1.00 0.00 C ATOM 486 NZ LYS A 55 3.496 -2.226 12.239 1.00 0.00 N ATOM 0 H LYS A 55 3.556 -4.190 5.979 1.00 0.00 H new ATOM 0 HA LYS A 55 4.244 -5.941 8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.208 -3.483 7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.693 -4.351 8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.655 -5.492 10.152 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.008 -4.384 10.047 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.284 -2.477 10.053 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.081 -3.683 10.465 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.655 -3.204 12.612 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.002 -4.284 12.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.746 -2.193 13.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.356 -2.374 11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.051 -1.327 11.963 1.00 0.00 H new ATOM 500 N ASN A 56 1.513 -6.681 6.413 1.00 0.00 N ATOM 501 CA ASN A 56 0.503 -7.711 6.206 1.00 0.00 C ATOM 502 C ASN A 56 1.153 -9.008 5.739 1.00 0.00 C ATOM 503 O ASN A 56 0.893 -10.079 6.291 1.00 0.00 O ATOM 504 CB ASN A 56 -0.531 -7.245 5.180 1.00 0.00 C ATOM 505 CG ASN A 56 -1.195 -5.943 5.582 1.00 0.00 C ATOM 506 OD1 ASN A 56 -1.444 -5.697 6.762 1.00 0.00 O ATOM 507 ND2 ASN A 56 -1.488 -5.099 4.598 1.00 0.00 N ATOM 0 H ASN A 56 1.513 -5.943 5.709 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.001 -7.893 7.155 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.047 -7.119 4.211 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.292 -8.016 5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.937 -4.207 4.808 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.264 -5.343 3.633 1.00 0.00 H new ATOM 514 N LEU A 57 2.006 -8.905 4.723 1.00 0.00 N ATOM 515 CA LEU A 57 2.703 -10.068 4.183 1.00 0.00 C ATOM 516 C LEU A 57 3.345 -10.879 5.304 1.00 0.00 C ATOM 517 O LEU A 57 3.040 -12.059 5.488 1.00 0.00 O ATOM 518 CB LEU A 57 3.773 -9.628 3.184 1.00 0.00 C ATOM 519 CG LEU A 57 3.252 -9.262 1.794 1.00 0.00 C ATOM 520 CD1 LEU A 57 4.120 -8.182 1.168 1.00 0.00 C ATOM 521 CD2 LEU A 57 3.203 -10.494 0.902 1.00 0.00 C ATOM 0 H LEU A 57 2.231 -8.026 4.257 1.00 0.00 H new ATOM 0 HA LEU A 57 1.973 -10.695 3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.300 -8.767 3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.504 -10.430 3.081 1.00 0.00 H new ATOM 0 HG LEU A 57 2.239 -8.872 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.735 -7.934 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.104 -7.292 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.144 -8.545 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.830 -10.215 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.204 -10.913 0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.540 -11.237 1.344 1.00 0.00 H new ATOM 533 N GLU A 58 4.232 -10.234 6.053 1.00 0.00 N ATOM 534 CA GLU A 58 4.913 -10.889 7.161 1.00 0.00 C ATOM 535 C GLU A 58 3.907 -11.372 8.202 1.00 0.00 C ATOM 536 O GLU A 58 4.172 -12.318 8.943 1.00 0.00 O ATOM 537 CB GLU A 58 5.918 -9.935 7.808 1.00 0.00 C ATOM 538 CG GLU A 58 7.040 -9.508 6.875 1.00 0.00 C ATOM 539 CD GLU A 58 8.343 -10.227 7.163 1.00 0.00 C ATOM 540 OE1 GLU A 58 8.989 -9.901 8.181 1.00 0.00 O ATOM 541 OE2 GLU A 58 8.718 -11.117 6.370 1.00 0.00 O ATOM 0 H GLU A 58 4.496 -9.259 5.912 1.00 0.00 H new ATOM 0 HA GLU A 58 5.449 -11.753 6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.390 -9.048 8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.350 -10.416 8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.743 -9.701 5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.195 -8.433 6.967 1.00 0.00 H new ATOM 548 N LYS A 59 2.750 -10.718 8.251 1.00 0.00 N ATOM 549 CA LYS A 59 1.706 -11.086 9.199 1.00 0.00 C ATOM 550 C LYS A 59 1.244 -12.519 8.960 1.00 0.00 C ATOM 551 O LYS A 59 0.864 -13.223 9.895 1.00 0.00 O ATOM 552 CB LYS A 59 0.519 -10.126 9.082 1.00 0.00 C ATOM 553 CG LYS A 59 -0.028 -9.670 10.424 1.00 0.00 C ATOM 554 CD LYS A 59 -0.761 -8.344 10.307 1.00 0.00 C ATOM 555 CE LYS A 59 -2.234 -8.547 9.990 1.00 0.00 C ATOM 556 NZ LYS A 59 -2.432 -9.247 8.691 1.00 0.00 N ATOM 0 H LYS A 59 2.513 -9.932 7.646 1.00 0.00 H new ATOM 0 HA LYS A 59 2.118 -11.017 10.206 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.825 -9.252 8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.278 -10.614 8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.706 -10.428 10.818 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.790 -9.572 11.137 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.662 -7.789 11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.300 -7.740 9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.701 -9.124 10.788 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.736 -7.580 9.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.360 -8.991 8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.684 -8.964 8.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.391 -10.275 8.841 1.00 0.00 H new ATOM 570 N TYR A 60 1.284 -12.945 7.701 1.00 0.00 N ATOM 571 CA TYR A 60 0.873 -14.298 7.340 1.00 0.00 C ATOM 572 C TYR A 60 2.036 -15.273 7.492 1.00 0.00 C ATOM 573 O TYR A 60 1.846 -16.427 7.874 1.00 0.00 O ATOM 574 CB TYR A 60 0.353 -14.338 5.900 1.00 0.00 C ATOM 575 CG TYR A 60 -0.426 -13.106 5.494 1.00 0.00 C ATOM 576 CD1 TYR A 60 -1.698 -12.867 5.998 1.00 0.00 C ATOM 577 CD2 TYR A 60 0.112 -12.187 4.604 1.00 0.00 C ATOM 578 CE1 TYR A 60 -2.413 -11.744 5.625 1.00 0.00 C ATOM 579 CE2 TYR A 60 -0.596 -11.061 4.226 1.00 0.00 C ATOM 580 CZ TYR A 60 -1.858 -10.845 4.739 1.00 0.00 C ATOM 581 OH TYR A 60 -2.566 -9.726 4.367 1.00 0.00 O ATOM 0 H TYR A 60 1.596 -12.374 6.915 1.00 0.00 H new ATOM 0 HA TYR A 60 0.071 -14.596 8.015 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.198 -14.461 5.222 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.283 -15.215 5.778 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.135 -13.569 6.692 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.100 -12.354 4.200 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.401 -11.572 6.026 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.163 -10.355 3.533 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.434 -9.558 3.411 1.00 0.00 H new ATOM 591 N PHE A 61 3.239 -14.800 7.185 1.00 0.00 N ATOM 592 CA PHE A 61 4.436 -15.629 7.282 1.00 0.00 C ATOM 593 C PHE A 61 4.869 -15.801 8.735 1.00 0.00 C ATOM 594 O PHE A 61 5.414 -16.836 9.112 1.00 0.00 O ATOM 595 CB PHE A 61 5.575 -15.007 6.470 1.00 0.00 C ATOM 596 CG PHE A 61 6.530 -16.017 5.899 1.00 0.00 C ATOM 597 CD1 PHE A 61 7.292 -16.819 6.733 1.00 0.00 C ATOM 598 CD2 PHE A 61 6.665 -16.162 4.528 1.00 0.00 C ATOM 599 CE1 PHE A 61 8.172 -17.747 6.209 1.00 0.00 C ATOM 600 CE2 PHE A 61 7.543 -17.088 3.999 1.00 0.00 C ATOM 601 CZ PHE A 61 8.297 -17.882 4.840 1.00 0.00 C ATOM 0 H PHE A 61 3.412 -13.846 6.867 1.00 0.00 H new ATOM 0 HA PHE A 61 4.199 -16.613 6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.151 -14.420 5.655 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.128 -14.316 7.106 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.197 -16.718 7.804 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.077 -15.544 3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.761 -18.366 6.869 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.640 -17.191 2.928 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.983 -18.607 4.428 1.00 0.00 H new ATOM 611 N LYS A 62 4.634 -14.778 9.546 1.00 0.00 N ATOM 612 CA LYS A 62 5.009 -14.822 10.954 1.00 0.00 C ATOM 613 C LYS A 62 3.901 -15.427 11.811 1.00 0.00 C ATOM 614 O LYS A 62 4.170 -16.171 12.753 1.00 0.00 O ATOM 615 CB LYS A 62 5.346 -13.416 11.456 1.00 0.00 C ATOM 616 CG LYS A 62 6.517 -13.380 12.424 1.00 0.00 C ATOM 617 CD LYS A 62 6.810 -11.964 12.893 1.00 0.00 C ATOM 618 CE LYS A 62 6.093 -11.648 14.195 1.00 0.00 C ATOM 619 NZ LYS A 62 4.821 -10.908 13.964 1.00 0.00 N ATOM 0 H LYS A 62 4.186 -13.909 9.254 1.00 0.00 H new ATOM 0 HA LYS A 62 5.889 -15.459 11.042 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.572 -12.779 10.601 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.468 -12.994 11.945 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.298 -14.011 13.285 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.402 -13.795 11.941 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.884 -11.840 13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.502 -11.254 12.125 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.882 -12.575 14.727 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.747 -11.055 14.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.441 -10.579 14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.002 -10.090 13.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.131 -11.538 13.508 1.00 0.00 H new ATOM 633 N GLU A 63 2.656 -15.090 11.489 1.00 0.00 N ATOM 634 CA GLU A 63 1.511 -15.588 12.244 1.00 0.00 C ATOM 635 C GLU A 63 0.986 -16.905 11.681 1.00 0.00 C ATOM 636 O GLU A 63 0.815 -17.877 12.418 1.00 0.00 O ATOM 637 CB GLU A 63 0.391 -14.547 12.251 1.00 0.00 C ATOM 638 CG GLU A 63 -0.401 -14.516 13.548 1.00 0.00 C ATOM 639 CD GLU A 63 -1.875 -14.240 13.324 1.00 0.00 C ATOM 640 OE1 GLU A 63 -2.218 -13.666 12.270 1.00 0.00 O ATOM 641 OE2 GLU A 63 -2.687 -14.598 14.204 1.00 0.00 O ATOM 0 H GLU A 63 2.414 -14.475 10.712 1.00 0.00 H new ATOM 0 HA GLU A 63 1.849 -15.772 13.264 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.821 -13.561 12.074 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.289 -14.751 11.424 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.288 -15.471 14.062 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.013 -13.750 14.204 1.00 0.00 H new ATOM 648 N HIS A 64 0.714 -16.932 10.381 1.00 0.00 N ATOM 649 CA HIS A 64 0.188 -18.137 9.746 1.00 0.00 C ATOM 650 C HIS A 64 1.272 -18.920 9.013 1.00 0.00 C ATOM 651 O HIS A 64 0.975 -19.872 8.292 1.00 0.00 O ATOM 652 CB HIS A 64 -0.942 -17.779 8.778 1.00 0.00 C ATOM 653 CG HIS A 64 -2.086 -18.743 8.812 1.00 0.00 C ATOM 654 ND1 HIS A 64 -1.921 -20.102 8.983 1.00 0.00 N ATOM 655 CD2 HIS A 64 -3.420 -18.542 8.696 1.00 0.00 C ATOM 656 CE1 HIS A 64 -3.101 -20.693 8.970 1.00 0.00 C ATOM 657 NE2 HIS A 64 -4.027 -19.768 8.798 1.00 0.00 N ATOM 0 H HIS A 64 0.847 -16.142 9.750 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.201 -18.775 10.539 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.311 -16.781 9.016 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.542 -17.738 7.765 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -1.026 -20.576 9.101 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.914 -17.593 8.550 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.279 -21.752 9.081 1.00 0.00 H new ATOM 666 N PHE A 65 2.521 -18.527 9.213 1.00 0.00 N ATOM 667 CA PHE A 65 3.650 -19.202 8.576 1.00 0.00 C ATOM 668 C PHE A 65 3.520 -19.189 7.054 1.00 0.00 C ATOM 669 O PHE A 65 2.458 -19.480 6.506 1.00 0.00 O ATOM 670 CB PHE A 65 3.756 -20.640 9.082 1.00 0.00 C ATOM 671 CG PHE A 65 5.147 -21.201 9.003 1.00 0.00 C ATOM 672 CD1 PHE A 65 5.582 -21.850 7.859 1.00 0.00 C ATOM 673 CD2 PHE A 65 6.018 -21.078 10.073 1.00 0.00 C ATOM 674 CE1 PHE A 65 6.862 -22.367 7.784 1.00 0.00 C ATOM 675 CE2 PHE A 65 7.299 -21.593 10.004 1.00 0.00 C ATOM 676 CZ PHE A 65 7.722 -22.238 8.858 1.00 0.00 C ATOM 0 H PHE A 65 2.782 -17.743 9.812 1.00 0.00 H new ATOM 0 HA PHE A 65 4.558 -18.660 8.840 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.415 -20.679 10.117 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.084 -21.272 8.501 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.914 -21.953 7.017 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.693 -20.574 10.971 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.190 -22.871 6.887 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.969 -21.491 10.845 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.723 -22.641 8.802 1.00 0.00 H new ATOM 686 N LYS A 66 4.612 -18.850 6.374 1.00 0.00 N ATOM 687 CA LYS A 66 4.620 -18.801 4.915 1.00 0.00 C ATOM 688 C LYS A 66 3.659 -17.734 4.400 1.00 0.00 C ATOM 689 O LYS A 66 2.562 -17.564 4.931 1.00 0.00 O ATOM 690 CB LYS A 66 4.242 -20.167 4.336 1.00 0.00 C ATOM 691 CG LYS A 66 4.689 -20.363 2.896 1.00 0.00 C ATOM 692 CD LYS A 66 4.643 -21.830 2.493 1.00 0.00 C ATOM 693 CE LYS A 66 6.038 -22.424 2.386 1.00 0.00 C ATOM 694 NZ LYS A 66 6.637 -22.678 3.725 1.00 0.00 N ATOM 0 H LYS A 66 5.501 -18.606 6.809 1.00 0.00 H new ATOM 0 HA LYS A 66 5.628 -18.542 4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.683 -20.949 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.160 -20.289 4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.048 -19.782 2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.703 -19.982 2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.063 -22.391 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.130 -21.929 1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.993 -23.358 1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.680 -21.745 1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.588 -23.083 3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.704 -21.783 4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.039 -23.346 4.252 1.00 0.00 H new ATOM 708 N GLU A 67 4.078 -17.016 3.363 1.00 0.00 N ATOM 709 CA GLU A 67 3.253 -15.966 2.777 1.00 0.00 C ATOM 710 C GLU A 67 2.735 -16.383 1.403 1.00 0.00 C ATOM 711 O GLU A 67 3.382 -17.150 0.690 1.00 0.00 O ATOM 712 CB GLU A 67 4.049 -14.663 2.664 1.00 0.00 C ATOM 713 CG GLU A 67 5.194 -14.731 1.666 1.00 0.00 C ATOM 714 CD GLU A 67 5.013 -13.775 0.502 1.00 0.00 C ATOM 715 OE1 GLU A 67 4.336 -14.154 -0.477 1.00 0.00 O ATOM 716 OE2 GLU A 67 5.548 -12.649 0.571 1.00 0.00 O ATOM 0 H GLU A 67 4.984 -17.142 2.911 1.00 0.00 H new ATOM 0 HA GLU A 67 2.398 -15.803 3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.373 -13.859 2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.448 -14.405 3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.130 -14.503 2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.279 -15.749 1.285 1.00 0.00 H new ATOM 723 N PHE A 68 1.564 -15.872 1.039 1.00 0.00 N ATOM 724 CA PHE A 68 0.957 -16.190 -0.248 1.00 0.00 C ATOM 725 C PHE A 68 0.264 -14.966 -0.839 1.00 0.00 C ATOM 726 O PHE A 68 0.425 -14.658 -2.020 1.00 0.00 O ATOM 727 CB PHE A 68 -0.046 -17.336 -0.093 1.00 0.00 C ATOM 728 CG PHE A 68 0.511 -18.678 -0.470 1.00 0.00 C ATOM 729 CD1 PHE A 68 1.338 -19.369 0.403 1.00 0.00 C ATOM 730 CD2 PHE A 68 0.208 -19.251 -1.695 1.00 0.00 C ATOM 731 CE1 PHE A 68 1.852 -20.605 0.059 1.00 0.00 C ATOM 732 CE2 PHE A 68 0.719 -20.487 -2.044 1.00 0.00 C ATOM 733 CZ PHE A 68 1.542 -21.165 -1.165 1.00 0.00 C ATOM 0 H PHE A 68 1.016 -15.235 1.618 1.00 0.00 H new ATOM 0 HA PHE A 68 1.749 -16.500 -0.930 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.387 -17.371 0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.920 -17.128 -0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.583 -18.937 1.362 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.435 -18.725 -2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.496 -21.133 0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.475 -20.922 -3.002 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.942 -22.131 -1.435 1.00 0.00 H new ATOM 743 N ASP A 69 -0.511 -14.274 -0.009 1.00 0.00 N ATOM 744 CA ASP A 69 -1.232 -13.086 -0.446 1.00 0.00 C ATOM 745 C ASP A 69 -0.270 -12.013 -0.949 1.00 0.00 C ATOM 746 O ASP A 69 0.538 -11.484 -0.187 1.00 0.00 O ATOM 747 CB ASP A 69 -2.080 -12.530 0.701 1.00 0.00 C ATOM 748 CG ASP A 69 -2.857 -11.289 0.302 1.00 0.00 C ATOM 749 OD1 ASP A 69 -2.216 -10.276 -0.050 1.00 0.00 O ATOM 750 OD2 ASP A 69 -4.105 -11.330 0.342 1.00 0.00 O ATOM 0 H ASP A 69 -0.655 -14.517 0.971 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.886 -13.373 -1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.776 -13.298 1.039 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.433 -12.293 1.545 1.00 0.00 H new ATOM 755 N LYS A 70 -0.371 -11.689 -2.235 1.00 0.00 N ATOM 756 CA LYS A 70 0.481 -10.671 -2.835 1.00 0.00 C ATOM 757 C LYS A 70 -0.324 -9.407 -3.115 1.00 0.00 C ATOM 758 O LYS A 70 -1.547 -9.458 -3.238 1.00 0.00 O ATOM 759 CB LYS A 70 1.104 -11.195 -4.131 1.00 0.00 C ATOM 760 CG LYS A 70 1.968 -12.429 -3.934 1.00 0.00 C ATOM 761 CD LYS A 70 2.440 -12.998 -5.263 1.00 0.00 C ATOM 762 CE LYS A 70 3.429 -12.069 -5.948 1.00 0.00 C ATOM 763 NZ LYS A 70 4.700 -11.949 -5.183 1.00 0.00 N ATOM 0 H LYS A 70 -1.035 -12.117 -2.880 1.00 0.00 H new ATOM 0 HA LYS A 70 1.281 -10.431 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.308 -11.428 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.708 -10.406 -4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.831 -12.175 -3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.403 -13.188 -3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.906 -13.970 -5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.582 -13.162 -5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.642 -12.441 -6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.980 -11.082 -6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.436 -11.540 -5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.552 -11.332 -4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.001 -12.891 -4.861 1.00 0.00 H new ATOM 777 N ILE A 71 0.361 -8.274 -3.208 1.00 0.00 N ATOM 778 CA ILE A 71 -0.314 -7.010 -3.467 1.00 0.00 C ATOM 779 C ILE A 71 0.472 -6.135 -4.438 1.00 0.00 C ATOM 780 O ILE A 71 1.701 -6.104 -4.412 1.00 0.00 O ATOM 781 CB ILE A 71 -0.558 -6.221 -2.165 1.00 0.00 C ATOM 782 CG1 ILE A 71 -1.369 -4.955 -2.449 1.00 0.00 C ATOM 783 CG2 ILE A 71 0.763 -5.867 -1.504 1.00 0.00 C ATOM 784 CD1 ILE A 71 -2.164 -4.465 -1.258 1.00 0.00 C ATOM 0 H ILE A 71 1.374 -8.205 -3.109 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.273 -7.264 -3.918 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.129 -6.850 -1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.692 -4.165 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.052 -5.149 -3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.573 -5.310 -0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.308 -6.781 -1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.357 -5.255 -2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.714 -3.565 -1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.866 -5.238 -0.946 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.485 -4.239 -0.436 1.00 0.00 H new ATOM 796 N SER A 72 -0.258 -5.411 -5.277 1.00 0.00 N ATOM 797 CA SER A 72 0.341 -4.509 -6.248 1.00 0.00 C ATOM 798 C SER A 72 -0.316 -3.141 -6.141 1.00 0.00 C ATOM 799 O SER A 72 -1.520 -3.004 -6.359 1.00 0.00 O ATOM 800 CB SER A 72 0.181 -5.065 -7.662 1.00 0.00 C ATOM 801 OG SER A 72 1.297 -5.857 -8.032 1.00 0.00 O ATOM 0 H SER A 72 -1.277 -5.433 -5.303 1.00 0.00 H new ATOM 0 HA SER A 72 1.406 -4.414 -6.037 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.728 -5.664 -7.719 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.066 -4.242 -8.368 1.00 0.00 H new ATOM 0 HG SER A 72 1.167 -6.201 -8.940 1.00 0.00 H new ATOM 807 N TYR A 73 0.468 -2.136 -5.780 1.00 0.00 N ATOM 808 CA TYR A 73 -0.057 -0.788 -5.619 1.00 0.00 C ATOM 809 C TYR A 73 0.646 0.201 -6.540 1.00 0.00 C ATOM 810 O TYR A 73 1.793 -0.007 -6.926 1.00 0.00 O ATOM 811 CB TYR A 73 0.082 -0.354 -4.158 1.00 0.00 C ATOM 812 CG TYR A 73 1.497 -0.008 -3.751 1.00 0.00 C ATOM 813 CD1 TYR A 73 2.404 -1.000 -3.399 1.00 0.00 C ATOM 814 CD2 TYR A 73 1.925 1.313 -3.720 1.00 0.00 C ATOM 815 CE1 TYR A 73 3.697 -0.685 -3.027 1.00 0.00 C ATOM 816 CE2 TYR A 73 3.217 1.636 -3.349 1.00 0.00 C ATOM 817 CZ TYR A 73 4.098 0.634 -3.004 1.00 0.00 C ATOM 818 OH TYR A 73 5.385 0.951 -2.634 1.00 0.00 O ATOM 0 H TYR A 73 1.467 -2.228 -5.594 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.111 -0.796 -5.895 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.557 0.512 -3.985 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.285 -1.155 -3.515 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.093 -2.034 -3.416 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.237 2.101 -3.990 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.390 -1.468 -2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.534 2.668 -3.330 1.00 0.00 H new ATOM 0 HH TYR A 73 5.506 1.923 -2.671 1.00 0.00 H new ATOM 828 N ASP A 74 -0.059 1.275 -6.880 1.00 0.00 N ATOM 829 CA ASP A 74 0.487 2.306 -7.757 1.00 0.00 C ATOM 830 C ASP A 74 -0.134 3.665 -7.450 1.00 0.00 C ATOM 831 O ASP A 74 -1.262 3.744 -6.953 1.00 0.00 O ATOM 832 CB ASP A 74 0.242 1.942 -9.225 1.00 0.00 C ATOM 833 CG ASP A 74 1.342 2.449 -10.138 1.00 0.00 C ATOM 834 OD1 ASP A 74 1.239 3.600 -10.605 1.00 0.00 O ATOM 835 OD2 ASP A 74 2.305 1.692 -10.381 1.00 0.00 O ATOM 0 H ASP A 74 -1.011 1.455 -6.561 1.00 0.00 H new ATOM 0 HA ASP A 74 1.561 2.367 -7.579 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.165 0.859 -9.320 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.713 2.359 -9.545 1.00 0.00 H new ATOM 840 N ILE A 75 0.604 4.728 -7.736 1.00 0.00 N ATOM 841 CA ILE A 75 0.124 6.084 -7.491 1.00 0.00 C ATOM 842 C ILE A 75 0.164 6.930 -8.760 1.00 0.00 C ATOM 843 O ILE A 75 1.093 6.825 -9.562 1.00 0.00 O ATOM 844 CB ILE A 75 0.944 6.785 -6.382 1.00 0.00 C ATOM 845 CG1 ILE A 75 2.407 6.955 -6.816 1.00 0.00 C ATOM 846 CG2 ILE A 75 0.851 6.012 -5.077 1.00 0.00 C ATOM 847 CD1 ILE A 75 3.208 5.670 -6.806 1.00 0.00 C ATOM 0 H ILE A 75 1.540 4.679 -8.139 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.911 5.992 -7.160 1.00 0.00 H new ATOM 0 HB ILE A 75 0.523 7.777 -6.218 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.430 7.377 -7.821 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.889 7.676 -6.156 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.434 6.521 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.191 5.954 -4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.243 5.005 -5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.230 5.876 -7.125 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.219 5.256 -5.798 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.753 4.952 -7.488 1.00 0.00 H new ATOM 859 N SER A 76 -0.855 7.767 -8.931 1.00 0.00 N ATOM 860 CA SER A 76 -0.940 8.635 -10.105 1.00 0.00 C ATOM 861 C SER A 76 -1.059 10.095 -9.680 1.00 0.00 C ATOM 862 O SER A 76 -2.117 10.545 -9.246 1.00 0.00 O ATOM 863 CB SER A 76 -2.142 8.238 -10.961 1.00 0.00 C ATOM 864 OG SER A 76 -1.837 8.354 -12.344 1.00 0.00 O ATOM 0 H SER A 76 -1.631 7.864 -8.276 1.00 0.00 H new ATOM 0 HA SER A 76 -0.030 8.518 -10.693 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.434 7.213 -10.733 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.993 8.873 -10.717 1.00 0.00 H new ATOM 0 HG SER A 76 -2.619 8.094 -12.874 1.00 0.00 H new ATOM 870 N THR A 77 0.039 10.836 -9.824 1.00 0.00 N ATOM 871 CA THR A 77 0.060 12.244 -9.458 1.00 0.00 C ATOM 872 C THR A 77 -0.671 13.092 -10.505 1.00 0.00 C ATOM 873 O THR A 77 -1.533 13.902 -10.159 1.00 0.00 O ATOM 874 CB THR A 77 1.502 12.732 -9.307 1.00 0.00 C ATOM 875 OG1 THR A 77 2.389 11.640 -9.146 1.00 0.00 O ATOM 876 CG2 THR A 77 1.695 13.660 -8.128 1.00 0.00 C ATOM 0 H THR A 77 0.922 10.482 -10.191 1.00 0.00 H new ATOM 0 HA THR A 77 -0.455 12.353 -8.504 1.00 0.00 H new ATOM 0 HB THR A 77 1.719 13.282 -10.223 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.306 11.974 -9.053 1.00 0.00 H new ATOM 0 HG21 THR A 77 2.739 13.970 -8.076 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.061 14.538 -8.249 1.00 0.00 H new ATOM 0 HG23 THR A 77 1.425 13.141 -7.208 1.00 0.00 H new ATOM 884 N PRO A 78 -0.335 12.919 -11.789 1.00 0.00 N ATOM 885 CA PRO A 78 -0.963 13.683 -12.873 1.00 0.00 C ATOM 886 C PRO A 78 -2.484 13.701 -12.768 1.00 0.00 C ATOM 887 O PRO A 78 -3.131 14.677 -13.150 1.00 0.00 O ATOM 888 CB PRO A 78 -0.517 12.936 -14.132 1.00 0.00 C ATOM 889 CG PRO A 78 0.788 12.322 -13.757 1.00 0.00 C ATOM 890 CD PRO A 78 0.690 11.988 -12.290 1.00 0.00 C ATOM 0 HA PRO A 78 -0.670 14.733 -12.857 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.244 12.178 -14.422 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.408 13.614 -14.979 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.981 11.427 -14.348 1.00 0.00 H new ATOM 0 HG3 PRO A 78 1.611 13.012 -13.945 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.398 10.949 -12.134 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.644 12.131 -11.782 1.00 0.00 H new ATOM 898 N ILE A 79 -3.050 12.612 -12.259 1.00 0.00 N ATOM 899 CA ILE A 79 -4.494 12.505 -12.115 1.00 0.00 C ATOM 900 C ILE A 79 -4.925 12.723 -10.663 1.00 0.00 C ATOM 901 O ILE A 79 -6.105 12.939 -10.383 1.00 0.00 O ATOM 902 CB ILE A 79 -5.009 11.128 -12.579 1.00 0.00 C ATOM 903 CG1 ILE A 79 -4.446 10.800 -13.970 1.00 0.00 C ATOM 904 CG2 ILE A 79 -6.528 11.112 -12.608 1.00 0.00 C ATOM 905 CD1 ILE A 79 -4.866 11.781 -15.038 1.00 0.00 C ATOM 0 H ILE A 79 -2.531 11.794 -11.940 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.926 13.282 -12.745 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.670 10.370 -11.873 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.358 10.778 -13.916 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.771 9.800 -14.258 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.875 10.133 -12.938 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.913 11.316 -11.609 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.887 11.876 -13.298 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.432 11.487 -15.993 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.953 11.786 -15.120 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.517 12.779 -14.773 1.00 0.00 H new ATOM 917 N ASN A 80 -3.965 12.666 -9.744 1.00 0.00 N ATOM 918 CA ASN A 80 -4.257 12.850 -8.323 1.00 0.00 C ATOM 919 C ASN A 80 -5.138 11.734 -7.798 1.00 0.00 C ATOM 920 O ASN A 80 -5.930 11.933 -6.870 1.00 0.00 O ATOM 921 CB ASN A 80 -4.932 14.210 -8.096 1.00 0.00 C ATOM 922 CG ASN A 80 -4.436 14.897 -6.837 1.00 0.00 C ATOM 923 OD1 ASN A 80 -4.563 14.366 -5.737 1.00 0.00 O ATOM 924 ND2 ASN A 80 -3.869 16.082 -7.002 1.00 0.00 N ATOM 0 H ASN A 80 -2.982 12.495 -9.955 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.315 12.823 -7.775 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.745 14.854 -8.956 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -6.011 14.071 -8.030 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.515 16.595 -6.195 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.786 16.482 -7.937 1.00 0.00 H new ATOM 931 N PHE A 81 -4.997 10.552 -8.389 1.00 0.00 N ATOM 932 CA PHE A 81 -5.782 9.393 -7.975 1.00 0.00 C ATOM 933 C PHE A 81 -4.870 8.250 -7.540 1.00 0.00 C ATOM 934 O PHE A 81 -3.775 8.079 -8.069 1.00 0.00 O ATOM 935 CB PHE A 81 -6.689 8.931 -9.118 1.00 0.00 C ATOM 936 CG PHE A 81 -8.045 8.476 -8.662 1.00 0.00 C ATOM 937 CD1 PHE A 81 -8.842 9.300 -7.886 1.00 0.00 C ATOM 938 CD2 PHE A 81 -8.520 7.216 -8.995 1.00 0.00 C ATOM 939 CE1 PHE A 81 -10.089 8.882 -7.463 1.00 0.00 C ATOM 940 CE2 PHE A 81 -9.767 6.794 -8.574 1.00 0.00 C ATOM 941 CZ PHE A 81 -10.551 7.630 -7.812 1.00 0.00 C ATOM 0 H PHE A 81 -4.348 10.371 -9.155 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.400 9.686 -7.126 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.809 9.749 -9.829 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.201 8.115 -9.651 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.485 10.281 -7.608 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.907 6.556 -9.591 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.702 9.535 -6.859 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -10.125 5.811 -8.842 1.00 0.00 H new ATOM 0 HZ PHE A 81 -11.529 7.306 -7.487 1.00 0.00 H new ATOM 951 N LEU A 82 -5.329 7.469 -6.568 1.00 0.00 N ATOM 952 CA LEU A 82 -4.553 6.344 -6.064 1.00 0.00 C ATOM 953 C LEU A 82 -5.188 5.018 -6.465 1.00 0.00 C ATOM 954 O LEU A 82 -6.324 4.718 -6.079 1.00 0.00 O ATOM 955 CB LEU A 82 -4.435 6.426 -4.541 1.00 0.00 C ATOM 956 CG LEU A 82 -3.528 7.542 -4.021 1.00 0.00 C ATOM 957 CD1 LEU A 82 -2.098 7.333 -4.496 1.00 0.00 C ATOM 958 CD2 LEU A 82 -4.049 8.897 -4.459 1.00 0.00 C ATOM 0 H LEU A 82 -6.234 7.595 -6.114 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.557 6.394 -6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.432 6.564 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.061 5.472 -4.169 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.532 7.511 -2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.467 8.137 -4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.728 6.376 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.072 7.336 -5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.391 9.679 -4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.076 8.942 -5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.054 9.045 -4.064 1.00 0.00 H new ATOM 970 N CYS A 83 -4.451 4.223 -7.235 1.00 0.00 N ATOM 971 CA CYS A 83 -4.947 2.926 -7.687 1.00 0.00 C ATOM 972 C CYS A 83 -4.222 1.786 -6.982 1.00 0.00 C ATOM 973 O CYS A 83 -2.995 1.784 -6.884 1.00 0.00 O ATOM 974 CB CYS A 83 -4.773 2.797 -9.207 1.00 0.00 C ATOM 975 SG CYS A 83 -6.173 3.422 -10.165 1.00 0.00 S ATOM 0 H CYS A 83 -3.511 4.452 -7.558 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.006 2.862 -7.439 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.873 3.334 -9.506 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.615 1.748 -9.456 1.00 0.00 H new ATOM 0 HG CYS A 83 -5.932 3.272 -11.434 1.00 0.00 H new ATOM 981 N ILE A 84 -4.986 0.819 -6.502 1.00 0.00 N ATOM 982 CA ILE A 84 -4.417 -0.329 -5.807 1.00 0.00 C ATOM 983 C ILE A 84 -5.032 -1.633 -6.307 1.00 0.00 C ATOM 984 O ILE A 84 -6.252 -1.791 -6.321 1.00 0.00 O ATOM 985 CB ILE A 84 -4.620 -0.221 -4.280 1.00 0.00 C ATOM 986 CG1 ILE A 84 -3.824 0.971 -3.724 1.00 0.00 C ATOM 987 CG2 ILE A 84 -4.227 -1.525 -3.589 1.00 0.00 C ATOM 988 CD1 ILE A 84 -2.732 0.588 -2.749 1.00 0.00 C ATOM 0 H ILE A 84 -6.003 0.804 -6.580 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.348 -0.332 -6.020 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.677 -0.048 -4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.378 1.515 -4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.514 1.655 -3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.378 -1.427 -2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.845 -2.339 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.178 -1.741 -3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.220 1.487 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.171 0.071 -1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.017 -0.070 -3.243 1.00 0.00 H new ATOM 1000 N PHE A 85 -4.174 -2.564 -6.708 1.00 0.00 N ATOM 1001 CA PHE A 85 -4.621 -3.862 -7.199 1.00 0.00 C ATOM 1002 C PHE A 85 -3.875 -4.981 -6.480 1.00 0.00 C ATOM 1003 O PHE A 85 -2.786 -5.374 -6.895 1.00 0.00 O ATOM 1004 CB PHE A 85 -4.404 -3.968 -8.704 1.00 0.00 C ATOM 1005 CG PHE A 85 -5.682 -4.043 -9.494 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -6.295 -5.263 -9.729 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -6.270 -2.895 -9.994 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -7.471 -5.338 -10.447 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -7.445 -2.961 -10.720 1.00 0.00 C ATOM 1010 CZ PHE A 85 -8.045 -4.182 -10.952 1.00 0.00 C ATOM 0 H PHE A 85 -3.161 -2.443 -6.703 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.687 -3.961 -6.995 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.829 -3.106 -9.041 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.804 -4.853 -8.915 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.846 -6.167 -9.345 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.806 -1.936 -9.815 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.943 -6.295 -10.615 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -7.893 -2.057 -11.105 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.959 -4.236 -11.525 1.00 0.00 H new ATOM 1020 N ILE A 86 -4.460 -5.480 -5.393 1.00 0.00 N ATOM 1021 CA ILE A 86 -3.837 -6.544 -4.609 1.00 0.00 C ATOM 1022 C ILE A 86 -4.175 -7.935 -5.162 1.00 0.00 C ATOM 1023 O ILE A 86 -5.289 -8.425 -4.985 1.00 0.00 O ATOM 1024 CB ILE A 86 -4.262 -6.463 -3.122 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -3.675 -7.632 -2.327 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -5.778 -6.434 -2.989 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -3.938 -7.544 -0.840 1.00 0.00 C ATOM 0 H ILE A 86 -5.362 -5.166 -5.036 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.760 -6.397 -4.683 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.868 -5.534 -2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.092 -8.565 -2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.599 -7.672 -2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.050 -6.377 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.173 -5.564 -3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.199 -7.341 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.494 -8.405 -0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.497 -6.628 -0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.013 -7.535 -0.661 1.00 0.00 H new ATOM 1039 N PRO A 87 -3.213 -8.599 -5.837 1.00 0.00 N ATOM 1040 CA PRO A 87 -3.414 -9.929 -6.400 1.00 0.00 C ATOM 1041 C PRO A 87 -3.120 -11.026 -5.383 1.00 0.00 C ATOM 1042 O PRO A 87 -1.984 -11.180 -4.931 1.00 0.00 O ATOM 1043 CB PRO A 87 -2.402 -9.988 -7.556 1.00 0.00 C ATOM 1044 CG PRO A 87 -1.574 -8.738 -7.457 1.00 0.00 C ATOM 1045 CD PRO A 87 -1.855 -8.130 -6.111 1.00 0.00 C ATOM 0 HA PRO A 87 -4.445 -10.090 -6.714 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.775 -10.876 -7.479 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.913 -10.041 -8.517 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.514 -8.968 -7.562 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.830 -8.042 -8.256 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.147 -8.470 -5.355 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.797 -7.042 -6.136 1.00 0.00 H new ATOM 1053 N THR A 88 -4.147 -11.784 -5.022 1.00 0.00 N ATOM 1054 CA THR A 88 -3.990 -12.861 -4.054 1.00 0.00 C ATOM 1055 C THR A 88 -5.024 -13.959 -4.284 1.00 0.00 C ATOM 1056 O THR A 88 -5.864 -13.858 -5.180 1.00 0.00 O ATOM 1057 CB THR A 88 -4.112 -12.311 -2.631 1.00 0.00 C ATOM 1058 OG1 THR A 88 -4.063 -13.363 -1.683 1.00 0.00 O ATOM 1059 CG2 THR A 88 -5.394 -11.541 -2.397 1.00 0.00 C ATOM 0 H THR A 88 -5.094 -11.674 -5.383 1.00 0.00 H new ATOM 0 HA THR A 88 -2.999 -13.295 -4.185 1.00 0.00 H new ATOM 0 HB THR A 88 -3.270 -11.629 -2.509 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.722 -13.198 -0.976 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.418 -11.178 -1.369 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.440 -10.694 -3.082 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.248 -12.195 -2.571 1.00 0.00 H new ATOM 1067 N LEU A 89 -4.958 -15.008 -3.470 1.00 0.00 N ATOM 1068 CA LEU A 89 -5.888 -16.125 -3.587 1.00 0.00 C ATOM 1069 C LEU A 89 -6.626 -16.357 -2.271 1.00 0.00 C ATOM 1070 O LEU A 89 -6.090 -16.968 -1.347 1.00 0.00 O ATOM 1071 CB LEU A 89 -5.139 -17.396 -3.999 1.00 0.00 C ATOM 1072 CG LEU A 89 -5.296 -17.789 -5.469 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -4.469 -16.874 -6.358 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -4.894 -19.241 -5.676 1.00 0.00 C ATOM 0 H LEU A 89 -4.271 -15.108 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.622 -15.879 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.079 -17.261 -3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.486 -18.222 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.345 -17.678 -5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.594 -17.169 -7.400 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.802 -15.844 -6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.417 -16.952 -6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.012 -19.505 -6.727 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.853 -19.376 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.529 -19.885 -5.067 1.00 0.00 H new ATOM 1086 N PHE A 90 -7.858 -15.865 -2.196 1.00 0.00 N ATOM 1087 CA PHE A 90 -8.667 -16.021 -0.995 1.00 0.00 C ATOM 1088 C PHE A 90 -9.073 -17.478 -0.801 1.00 0.00 C ATOM 1089 O PHE A 90 -10.138 -17.909 -1.243 1.00 0.00 O ATOM 1090 CB PHE A 90 -9.907 -15.119 -1.053 1.00 0.00 C ATOM 1091 CG PHE A 90 -10.893 -15.484 -2.130 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -10.659 -15.142 -3.454 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -12.059 -16.165 -1.816 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -11.567 -15.475 -4.441 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -12.971 -16.500 -2.799 1.00 0.00 C ATOM 1096 CZ PHE A 90 -12.725 -16.154 -4.113 1.00 0.00 C ATOM 0 H PHE A 90 -8.317 -15.356 -2.952 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.063 -15.718 -0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -10.412 -15.155 -0.088 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -9.585 -14.089 -1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.757 -14.609 -3.716 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.257 -16.437 -0.790 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -11.372 -15.205 -5.468 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -13.875 -17.032 -2.540 1.00 0.00 H new ATOM 0 HZ PHE A 90 -13.436 -16.414 -4.883 1.00 0.00 H new ATOM 1106 N ASP A 91 -8.210 -18.232 -0.138 1.00 0.00 N ATOM 1107 CA ASP A 91 -8.466 -19.644 0.121 1.00 0.00 C ATOM 1108 C ASP A 91 -7.415 -20.227 1.061 1.00 0.00 C ATOM 1109 O ASP A 91 -7.715 -20.577 2.203 1.00 0.00 O ATOM 1110 CB ASP A 91 -8.485 -20.430 -1.192 1.00 0.00 C ATOM 1111 CG ASP A 91 -8.948 -21.861 -1.003 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -8.326 -22.586 -0.197 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -9.933 -22.258 -1.661 1.00 0.00 O ATOM 0 H ASP A 91 -7.323 -17.890 0.232 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.441 -19.727 0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -9.143 -19.929 -1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.486 -20.429 -1.627 1.00 0.00 H new ATOM 1118 N MET A 92 -6.183 -20.330 0.574 1.00 0.00 N ATOM 1119 CA MET A 92 -5.087 -20.872 1.370 1.00 0.00 C ATOM 1120 C MET A 92 -4.830 -20.009 2.602 1.00 0.00 C ATOM 1121 O MET A 92 -4.374 -20.503 3.633 1.00 0.00 O ATOM 1122 CB MET A 92 -3.815 -20.970 0.525 1.00 0.00 C ATOM 1123 CG MET A 92 -3.563 -22.362 -0.031 1.00 0.00 C ATOM 1124 SD MET A 92 -1.810 -22.784 -0.077 1.00 0.00 S ATOM 1125 CE MET A 92 -1.406 -22.744 1.667 1.00 0.00 C ATOM 0 H MET A 92 -5.918 -20.045 -0.369 1.00 0.00 H new ATOM 0 HA MET A 92 -5.371 -21.870 1.702 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.882 -20.264 -0.302 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.961 -20.670 1.132 1.00 0.00 H new ATOM 0 HG2 MET A 92 -4.093 -23.094 0.578 1.00 0.00 H new ATOM 0 HG3 MET A 92 -3.975 -22.427 -1.038 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.577 -23.424 1.864 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.120 -21.731 1.951 1.00 0.00 H new ATOM 0 HE3 MET A 92 -2.275 -23.053 2.249 1.00 0.00 H new ATOM 1135 N ASN A 93 -5.126 -18.718 2.490 1.00 0.00 N ATOM 1136 CA ASN A 93 -4.927 -17.789 3.597 1.00 0.00 C ATOM 1137 C ASN A 93 -5.689 -18.246 4.836 1.00 0.00 C ATOM 1138 O ASN A 93 -5.216 -18.090 5.962 1.00 0.00 O ATOM 1139 CB ASN A 93 -5.377 -16.383 3.196 1.00 0.00 C ATOM 1140 CG ASN A 93 -4.456 -15.305 3.733 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -4.517 -14.949 4.910 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -3.595 -14.778 2.871 1.00 0.00 N ATOM 0 H ASN A 93 -5.504 -18.291 1.644 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.864 -17.769 3.835 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.417 -16.314 2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.388 -16.209 3.564 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.950 -14.049 3.176 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.578 -15.103 1.904 1.00 0.00 H new ATOM 1149 N ASN A 94 -6.873 -18.812 4.620 1.00 0.00 N ATOM 1150 CA ASN A 94 -7.705 -19.296 5.718 1.00 0.00 C ATOM 1151 C ASN A 94 -7.964 -18.192 6.742 1.00 0.00 C ATOM 1152 O ASN A 94 -8.254 -18.470 7.906 1.00 0.00 O ATOM 1153 CB ASN A 94 -7.038 -20.492 6.400 1.00 0.00 C ATOM 1154 CG ASN A 94 -7.964 -21.189 7.378 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -7.666 -21.291 8.568 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -9.096 -21.673 6.880 1.00 0.00 N ATOM 0 H ASN A 94 -7.278 -18.947 3.694 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.663 -19.608 5.301 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.712 -21.204 5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -6.145 -20.155 6.926 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.758 -22.152 7.491 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.303 -21.566 5.887 1.00 0.00 H new ATOM 1163 N MET A 95 -7.861 -16.940 6.302 1.00 0.00 N ATOM 1164 CA MET A 95 -8.086 -15.797 7.180 1.00 0.00 C ATOM 1165 C MET A 95 -7.804 -14.487 6.449 1.00 0.00 C ATOM 1166 O MET A 95 -6.750 -13.879 6.627 1.00 0.00 O ATOM 1167 CB MET A 95 -7.204 -15.899 8.429 1.00 0.00 C ATOM 1168 CG MET A 95 -7.981 -16.217 9.695 1.00 0.00 C ATOM 1169 SD MET A 95 -6.932 -16.866 11.010 1.00 0.00 S ATOM 1170 CE MET A 95 -6.003 -15.401 11.456 1.00 0.00 C ATOM 0 H MET A 95 -7.623 -16.692 5.342 1.00 0.00 H new ATOM 0 HA MET A 95 -9.133 -15.806 7.484 1.00 0.00 H new ATOM 0 HB2 MET A 95 -6.451 -16.671 8.270 1.00 0.00 H new ATOM 0 HB3 MET A 95 -6.671 -14.958 8.566 1.00 0.00 H new ATOM 0 HG2 MET A 95 -8.481 -15.314 10.046 1.00 0.00 H new ATOM 0 HG3 MET A 95 -8.760 -16.944 9.465 1.00 0.00 H new ATOM 0 HE1 MET A 95 -5.308 -15.642 12.260 1.00 0.00 H new ATOM 0 HE2 MET A 95 -5.446 -15.046 10.589 1.00 0.00 H new ATOM 0 HE3 MET A 95 -6.689 -14.623 11.790 1.00 0.00 H new ATOM 1180 N ASP A 96 -8.756 -14.058 5.626 1.00 0.00 N ATOM 1181 CA ASP A 96 -8.610 -12.821 4.869 1.00 0.00 C ATOM 1182 C ASP A 96 -8.857 -11.607 5.759 1.00 0.00 C ATOM 1183 O ASP A 96 -9.709 -11.642 6.647 1.00 0.00 O ATOM 1184 CB ASP A 96 -9.578 -12.805 3.684 1.00 0.00 C ATOM 1185 CG ASP A 96 -9.131 -13.719 2.560 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -7.989 -13.559 2.084 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -9.925 -14.595 2.157 1.00 0.00 O ATOM 0 H ASP A 96 -9.636 -14.549 5.467 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.588 -12.773 4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.568 -13.109 4.023 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.669 -11.787 3.306 1.00 0.00 H new ATOM 1192 N LEU A 97 -8.107 -10.537 5.519 1.00 0.00 N ATOM 1193 CA LEU A 97 -8.247 -9.316 6.303 1.00 0.00 C ATOM 1194 C LEU A 97 -8.018 -8.078 5.440 1.00 0.00 C ATOM 1195 O LEU A 97 -6.990 -7.410 5.556 1.00 0.00 O ATOM 1196 CB LEU A 97 -7.267 -9.323 7.479 1.00 0.00 C ATOM 1197 CG LEU A 97 -7.755 -8.594 8.732 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -8.730 -9.463 9.510 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -6.576 -8.197 9.608 1.00 0.00 C ATOM 0 H LEU A 97 -7.397 -10.491 4.789 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.266 -9.280 6.688 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.046 -10.357 7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.330 -8.869 7.155 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.276 -7.688 8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.066 -8.927 10.398 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.589 -9.699 8.881 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.235 -10.387 9.809 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.940 -7.679 10.495 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.029 -9.091 9.908 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.913 -7.536 9.049 1.00 0.00 H new ATOM 1211 N LEU A 98 -8.983 -7.777 4.578 1.00 0.00 N ATOM 1212 CA LEU A 98 -8.888 -6.615 3.700 1.00 0.00 C ATOM 1213 C LEU A 98 -9.095 -5.316 4.480 1.00 0.00 C ATOM 1214 O LEU A 98 -8.866 -4.226 3.956 1.00 0.00 O ATOM 1215 CB LEU A 98 -9.918 -6.721 2.572 1.00 0.00 C ATOM 1216 CG LEU A 98 -9.346 -6.585 1.160 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -8.670 -5.235 0.985 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -8.370 -7.715 0.871 1.00 0.00 C ATOM 0 H LEU A 98 -9.839 -8.320 4.468 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.887 -6.597 3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.424 -7.683 2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.674 -5.950 2.717 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.168 -6.650 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.269 -5.157 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.397 -4.440 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.858 -5.139 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.972 -7.603 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.551 -7.681 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.886 -8.672 0.954 1.00 0.00 H new ATOM 1230 N LYS A 99 -9.531 -5.440 5.731 1.00 0.00 N ATOM 1231 CA LYS A 99 -9.769 -4.277 6.578 1.00 0.00 C ATOM 1232 C LYS A 99 -8.504 -3.438 6.741 1.00 0.00 C ATOM 1233 O LYS A 99 -8.573 -2.259 7.088 1.00 0.00 O ATOM 1234 CB LYS A 99 -10.273 -4.721 7.951 1.00 0.00 C ATOM 1235 CG LYS A 99 -11.292 -3.772 8.563 1.00 0.00 C ATOM 1236 CD LYS A 99 -10.928 -3.404 9.993 1.00 0.00 C ATOM 1237 CE LYS A 99 -10.271 -2.035 10.066 1.00 0.00 C ATOM 1238 NZ LYS A 99 -9.828 -1.704 11.448 1.00 0.00 N ATOM 0 H LYS A 99 -9.726 -6.335 6.180 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.526 -3.661 6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.719 -5.711 7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.424 -4.814 8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.355 -2.867 7.959 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.278 -4.236 8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.826 -3.411 10.611 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.253 -4.155 10.402 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.413 -2.008 9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.973 -1.277 9.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.835 -0.672 11.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.475 -2.143 12.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.865 -2.066 11.600 1.00 0.00 H new ATOM 1252 N GLN A 100 -7.350 -4.048 6.489 1.00 0.00 N ATOM 1253 CA GLN A 100 -6.077 -3.347 6.611 1.00 0.00 C ATOM 1254 C GLN A 100 -5.907 -2.356 5.469 1.00 0.00 C ATOM 1255 O GLN A 100 -5.570 -1.191 5.685 1.00 0.00 O ATOM 1256 CB GLN A 100 -4.915 -4.344 6.623 1.00 0.00 C ATOM 1257 CG GLN A 100 -4.847 -5.223 5.384 1.00 0.00 C ATOM 1258 CD GLN A 100 -4.130 -6.533 5.640 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -3.918 -6.924 6.788 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -3.752 -7.222 4.568 1.00 0.00 N ATOM 0 H GLN A 100 -7.270 -5.023 6.200 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.074 -2.799 7.553 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.978 -3.795 6.719 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.003 -4.980 7.504 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.858 -5.429 5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.336 -4.683 4.587 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.948 -6.861 3.634 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.266 -8.112 4.679 1.00 0.00 H new ATOM 1269 N ALA A 101 -6.152 -2.827 4.253 1.00 0.00 N ATOM 1270 CA ALA A 101 -6.040 -1.989 3.071 1.00 0.00 C ATOM 1271 C ALA A 101 -7.043 -0.842 3.129 1.00 0.00 C ATOM 1272 O ALA A 101 -6.700 0.315 2.880 1.00 0.00 O ATOM 1273 CB ALA A 101 -6.259 -2.829 1.822 1.00 0.00 C ATOM 0 H ALA A 101 -6.431 -3.789 4.061 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.039 -1.560 3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.174 -2.196 0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.508 -3.617 1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.253 -3.276 1.854 1.00 0.00 H new ATOM 1279 N LEU A 102 -8.284 -1.175 3.468 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.344 -0.181 3.571 1.00 0.00 C ATOM 1281 C LEU A 102 -8.985 0.877 4.610 1.00 0.00 C ATOM 1282 O LEU A 102 -9.388 2.035 4.497 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.668 -0.850 3.942 1.00 0.00 C ATOM 1284 CG LEU A 102 -11.252 -1.771 2.867 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -11.874 -3.006 3.502 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -12.280 -1.026 2.029 1.00 0.00 C ATOM 0 H LEU A 102 -8.580 -2.129 3.676 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.454 0.304 2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.522 -1.428 4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.399 -0.074 4.170 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.442 -2.093 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.284 -3.649 2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.112 -3.552 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.672 -2.704 4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.685 -1.695 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.088 -0.675 2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.805 -0.173 1.544 1.00 0.00 H new ATOM 1298 N LEU A 103 -8.218 0.470 5.616 1.00 0.00 N ATOM 1299 CA LEU A 103 -7.795 1.382 6.672 1.00 0.00 C ATOM 1300 C LEU A 103 -6.777 2.382 6.134 1.00 0.00 C ATOM 1301 O LEU A 103 -6.694 3.516 6.608 1.00 0.00 O ATOM 1302 CB LEU A 103 -7.197 0.597 7.843 1.00 0.00 C ATOM 1303 CG LEU A 103 -7.828 0.888 9.206 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -7.385 -0.145 10.230 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -7.469 2.291 9.671 1.00 0.00 C ATOM 0 H LEU A 103 -7.877 -0.485 5.722 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.668 1.930 7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.295 -0.468 7.634 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.130 0.814 7.899 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.912 0.827 9.104 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.844 0.078 11.193 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -7.693 -1.138 9.902 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.300 -0.117 10.329 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.926 2.481 10.642 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.386 2.380 9.756 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.837 3.019 8.948 1.00 0.00 H new ATOM 1317 N ILE A 104 -6.007 1.954 5.138 1.00 0.00 N ATOM 1318 CA ILE A 104 -4.998 2.811 4.531 1.00 0.00 C ATOM 1319 C ILE A 104 -5.647 3.928 3.718 1.00 0.00 C ATOM 1320 O ILE A 104 -5.297 5.099 3.866 1.00 0.00 O ATOM 1321 CB ILE A 104 -4.053 2.006 3.616 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -3.436 0.837 4.385 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -2.964 2.905 3.050 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -2.955 -0.286 3.492 1.00 0.00 C ATOM 0 H ILE A 104 -6.064 1.019 4.735 1.00 0.00 H new ATOM 0 HA ILE A 104 -4.418 3.246 5.345 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.634 1.606 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.598 1.204 4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -4.173 0.444 5.085 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -2.307 2.320 2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -3.420 3.707 2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -2.384 3.333 3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -2.529 -1.081 4.104 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.794 -0.680 2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.195 0.093 2.809 1.00 0.00 H new ATOM 1336 N LEU A 105 -6.591 3.558 2.859 1.00 0.00 N ATOM 1337 CA LEU A 105 -7.285 4.533 2.024 1.00 0.00 C ATOM 1338 C LEU A 105 -8.218 5.403 2.861 1.00 0.00 C ATOM 1339 O LEU A 105 -8.422 6.579 2.558 1.00 0.00 O ATOM 1340 CB LEU A 105 -8.076 3.825 0.920 1.00 0.00 C ATOM 1341 CG LEU A 105 -9.327 3.079 1.390 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -10.543 3.991 1.339 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -9.555 1.835 0.546 1.00 0.00 C ATOM 0 H LEU A 105 -6.893 2.593 2.723 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.535 5.177 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.372 4.565 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.416 3.116 0.420 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.175 2.769 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -11.423 3.443 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.380 4.851 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.699 4.333 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -10.449 1.317 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.686 2.122 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.694 1.172 0.635 1.00 0.00 H new ATOM 1355 N HIS A 106 -8.779 4.821 3.915 1.00 0.00 N ATOM 1356 CA HIS A 106 -9.689 5.547 4.795 1.00 0.00 C ATOM 1357 C HIS A 106 -8.939 6.603 5.600 1.00 0.00 C ATOM 1358 O HIS A 106 -9.375 7.750 5.700 1.00 0.00 O ATOM 1359 CB HIS A 106 -10.402 4.580 5.741 1.00 0.00 C ATOM 1360 CG HIS A 106 -11.715 4.088 5.217 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -12.585 4.883 4.501 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -12.306 2.873 5.307 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -13.655 4.179 4.175 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -13.502 2.953 4.652 1.00 0.00 N ATOM 0 H HIS A 106 -8.620 3.849 4.181 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.432 6.047 4.173 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -9.753 3.725 5.931 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.565 5.075 6.698 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.906 2.002 5.805 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.506 4.541 3.617 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -14.171 2.190 4.547 1.00 0.00 H new ATOM 1373 N ASN A 107 -7.807 6.208 6.174 1.00 0.00 N ATOM 1374 CA ASN A 107 -6.996 7.117 6.970 1.00 0.00 C ATOM 1375 C ASN A 107 -6.340 8.173 6.088 1.00 0.00 C ATOM 1376 O ASN A 107 -6.106 9.303 6.524 1.00 0.00 O ATOM 1377 CB ASN A 107 -5.924 6.342 7.738 1.00 0.00 C ATOM 1378 CG ASN A 107 -5.603 6.968 9.080 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -4.444 7.240 9.387 1.00 0.00 O ATOM 1380 ND2 ASN A 107 -6.635 7.197 9.884 1.00 0.00 N ATOM 0 H ASN A 107 -7.432 5.262 6.101 1.00 0.00 H new ATOM 0 HA ASN A 107 -7.652 7.618 7.682 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.261 5.317 7.891 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -5.016 6.293 7.137 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.484 7.616 10.801 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.579 6.954 9.584 1.00 0.00 H new ATOM 1387 N ASP A 108 -6.041 7.803 4.850 1.00 0.00 N ATOM 1388 CA ASP A 108 -5.413 8.711 3.903 1.00 0.00 C ATOM 1389 C ASP A 108 -6.367 9.838 3.509 1.00 0.00 C ATOM 1390 O ASP A 108 -5.945 10.959 3.237 1.00 0.00 O ATOM 1391 CB ASP A 108 -4.953 7.954 2.656 1.00 0.00 C ATOM 1392 CG ASP A 108 -3.488 7.567 2.724 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -2.684 8.369 3.232 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -3.146 6.459 2.267 1.00 0.00 O ATOM 0 H ASP A 108 -6.226 6.872 4.477 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.542 9.151 4.389 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.558 7.056 2.535 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.122 8.573 1.775 1.00 0.00 H new ATOM 1399 N LEU A 109 -7.659 9.523 3.481 1.00 0.00 N ATOM 1400 CA LEU A 109 -8.676 10.505 3.121 1.00 0.00 C ATOM 1401 C LEU A 109 -9.350 11.071 4.361 1.00 0.00 C ATOM 1402 O LEU A 109 -9.902 12.172 4.327 1.00 0.00 O ATOM 1403 CB LEU A 109 -9.723 9.865 2.202 1.00 0.00 C ATOM 1404 CG LEU A 109 -10.497 8.705 2.821 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -11.761 9.215 3.505 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -10.844 7.673 1.759 1.00 0.00 C ATOM 0 H LEU A 109 -8.025 8.597 3.703 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.187 11.324 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.433 10.633 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.225 9.510 1.300 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.867 8.228 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -12.302 8.376 3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -11.490 9.920 4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -12.395 9.714 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.396 6.852 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.458 8.137 0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.927 7.289 1.311 1.00 0.00 H new ATOM 1418 N HIS A 110 -9.309 10.316 5.456 1.00 0.00 N ATOM 1419 CA HIS A 110 -9.917 10.752 6.711 1.00 0.00 C ATOM 1420 C HIS A 110 -9.154 11.921 7.335 1.00 0.00 C ATOM 1421 O HIS A 110 -9.595 12.495 8.329 1.00 0.00 O ATOM 1422 CB HIS A 110 -9.972 9.587 7.702 1.00 0.00 C ATOM 1423 CG HIS A 110 -11.188 8.723 7.537 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -11.345 7.390 7.689 1.00 0.00 N flip ATOM 1425 CD2 HIS A 110 -12.417 9.223 7.178 1.00 0.00 C flip ATOM 1426 CE1 HIS A 110 -12.664 7.109 7.419 1.00 0.00 C flip ATOM 1427 NE2 HIS A 110 -13.291 8.233 7.113 1.00 0.00 N flip ATOM 0 H HIS A 110 -8.862 9.400 5.500 1.00 0.00 H new ATOM 0 HA HIS A 110 -10.928 11.091 6.485 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -9.080 8.973 7.580 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -9.951 9.982 8.718 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -12.635 10.262 6.980 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -13.115 6.128 7.452 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -14.278 8.321 6.869 1.00 0.00 H new ATOM 1436 N GLU A 111 -8.012 12.275 6.753 1.00 0.00 N ATOM 1437 CA GLU A 111 -7.200 13.373 7.260 1.00 0.00 C ATOM 1438 C GLU A 111 -7.795 14.729 6.910 1.00 0.00 C ATOM 1439 O GLU A 111 -7.229 15.777 7.248 1.00 0.00 O ATOM 1440 CB GLU A 111 -5.779 13.274 6.702 1.00 0.00 C ATOM 1441 CG GLU A 111 -5.710 13.388 5.188 1.00 0.00 C ATOM 1442 CD GLU A 111 -4.878 14.568 4.726 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -5.050 15.669 5.285 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -4.053 14.389 3.806 1.00 0.00 O ATOM 0 H GLU A 111 -7.628 11.815 5.927 1.00 0.00 H new ATOM 0 HA GLU A 111 -7.177 13.289 8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -5.168 14.060 7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.344 12.322 7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.290 12.470 4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.720 13.483 4.789 1.00 0.00 H new