USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 885 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 85 SER OG : rot -91:sc= 0.0119 USER MOD Set 1.2: A 88 ASN : amide:sc= -2.65! X(o=-2.6!,f=-3.1) USER MOD Set 2.1: A 28 TYR OH : rot 142:sc= 0.191 USER MOD Set 2.2: A 46 GLN : amide:sc= -1.3 K(o=-1.1,f=-3.9!) USER MOD Set 3.1: A 23 ASN :FLIP amide:sc= -0.735 F(o=-2.3,f=-1.4) USER MOD Set 3.2: A 24 ASN :FLIP amide:sc= -0.697 X(o=-1.7!,f=-1.4) USER MOD Set 4.1: A 8 MET CE :methyl -174:sc= -1.59 (180deg=-1.9) USER MOD Set 4.2: A 73 TYR OH : rot 155:sc= 0.0808 USER MOD Single : A 1 ALA N :NH3+ -102:sc= 0.0642 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0.7 K(o=0.7,f=-0.065) USER MOD Single : A 6 ASN : amide:sc= -4.55! C(o=-4.6!,f=-10!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 80:sc= -0.75 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 80:sc= 0.702 USER MOD Single : A 48 HIS : no HE2:sc= -0.74 K(o=-0.74,f=-2.2) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.287 F(o=-1.1,f=-0.29) USER MOD Single : A 52 TYR OH : rot -23:sc= 0.674 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.213 K(o=-0.21,f=-2.3!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -150:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0.297 K(o=0.3,f=-8.5!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.718 X(o=-0.72,f=-0.87) USER MOD Single : A 72 ASN : amide:sc= -5.84! C(o=-5.8!,f=-13!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 130:sc= -0.247 USER MOD Single : A 76 SER OG : rot 50:sc= 0.114 USER MOD Single : A 78 SER OG : rot 180:sc= -0.622 USER MOD Single : A 79 ASN : amide:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.062) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -100:sc= 0.117 USER MOD Single : A 89 ASN : amide:sc= -3.16! C(o=-3.2!,f=-16!) USER MOD Single : A 97 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.6!) USER MOD Single : A 101 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.7!) USER MOD Single : A 107 SER OG : rot -55:sc= 0.595 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 57:sc= 1.26 USER MOD Single : A 112 ASN :FLIP amide:sc= -0.0483 F(o=-0.87,f=-0.048) USER MOD Single : A 113 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0392) USER MOD Single : A 115 HIS : no HD1:sc= -0.362 K(o=-0.36,f=-1.1) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 120 LYS NZ :NH3+ -116:sc= -0.0866 (180deg=-0.8) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.063 F(o=-0.87,f=-0.063) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 85.179 -7.036 -7.741 1.00 0.00 N ATOM 2 CA ALA A 1 85.064 -7.252 -6.270 1.00 0.00 C ATOM 3 C ALA A 1 85.465 -5.981 -5.516 1.00 0.00 C ATOM 4 O ALA A 1 86.150 -5.126 -6.041 1.00 0.00 O ATOM 5 CB ALA A 1 86.039 -8.388 -5.959 1.00 0.00 C ATOM 0 H1 ALA A 1 84.234 -6.874 -8.143 1.00 0.00 H new ATOM 0 H2 ALA A 1 85.780 -6.207 -7.924 1.00 0.00 H new ATOM 0 H3 ALA A 1 85.604 -7.876 -8.183 1.00 0.00 H new ATOM 0 HA ALA A 1 84.045 -7.494 -5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 1 86.013 -8.608 -4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 1 85.752 -9.278 -6.520 1.00 0.00 H new ATOM 0 HB3 ALA A 1 87.048 -8.090 -6.244 1.00 0.00 H new ATOM 13 N LEU A 2 85.044 -5.852 -4.288 1.00 0.00 N ATOM 14 CA LEU A 2 85.402 -4.636 -3.501 1.00 0.00 C ATOM 15 C LEU A 2 84.908 -4.776 -2.058 1.00 0.00 C ATOM 16 O LEU A 2 85.609 -4.457 -1.118 1.00 0.00 O ATOM 17 CB LEU A 2 84.682 -3.485 -4.203 1.00 0.00 C ATOM 18 CG LEU A 2 85.689 -2.388 -4.555 1.00 0.00 C ATOM 19 CD1 LEU A 2 85.146 -1.551 -5.714 1.00 0.00 C ATOM 20 CD2 LEU A 2 85.906 -1.487 -3.336 1.00 0.00 C ATOM 0 H LEU A 2 84.468 -6.535 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 2 86.479 -4.476 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 2 84.192 -3.847 -5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 2 83.902 -3.083 -3.557 1.00 0.00 H new ATOM 0 HG LEU A 2 86.636 -2.843 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 2 85.863 -0.769 -5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 2 84.988 -2.191 -6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 2 84.200 -1.095 -5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 2 86.623 -0.705 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 2 84.959 -1.032 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 2 86.291 -2.082 -2.508 1.00 0.00 H new ATOM 32 N TRP A 3 83.706 -5.250 -1.876 1.00 0.00 N ATOM 33 CA TRP A 3 83.167 -5.409 -0.495 1.00 0.00 C ATOM 34 C TRP A 3 84.240 -5.994 0.427 1.00 0.00 C ATOM 35 O TRP A 3 84.232 -5.774 1.622 1.00 0.00 O ATOM 36 CB TRP A 3 81.992 -6.377 -0.637 1.00 0.00 C ATOM 37 CG TRP A 3 82.497 -7.717 -1.068 1.00 0.00 C ATOM 38 CD1 TRP A 3 82.665 -8.107 -2.353 1.00 0.00 C ATOM 39 CD2 TRP A 3 82.902 -8.846 -0.241 1.00 0.00 C ATOM 40 NE1 TRP A 3 83.144 -9.405 -2.366 1.00 0.00 N ATOM 41 CE2 TRP A 3 83.306 -9.904 -1.090 1.00 0.00 C ATOM 42 CE3 TRP A 3 82.955 -9.056 1.149 1.00 0.00 C ATOM 43 CZ2 TRP A 3 83.749 -11.123 -0.580 1.00 0.00 C ATOM 44 CZ3 TRP A 3 83.401 -10.283 1.666 1.00 0.00 C ATOM 45 CH2 TRP A 3 83.796 -11.315 0.802 1.00 0.00 C ATOM 0 H TRP A 3 83.073 -5.534 -2.624 1.00 0.00 H new ATOM 0 HA TRP A 3 82.860 -4.459 -0.059 1.00 0.00 H new ATOM 0 HB2 TRP A 3 81.463 -6.464 0.312 1.00 0.00 H new ATOM 0 HB3 TRP A 3 81.278 -5.994 -1.366 1.00 0.00 H new ATOM 0 HD1 TRP A 3 82.459 -7.504 -3.225 1.00 0.00 H new ATOM 0 HE1 TRP A 3 83.352 -9.929 -3.216 1.00 0.00 H new ATOM 0 HE3 TRP A 3 82.651 -8.269 1.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 84.054 -11.914 -1.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 83.440 -10.433 2.735 1.00 0.00 H new ATOM 0 HH2 TRP A 3 84.136 -12.257 1.206 1.00 0.00 H new ATOM 56 N GLN A 4 85.166 -6.733 -0.119 1.00 0.00 N ATOM 57 CA GLN A 4 86.239 -7.325 0.729 1.00 0.00 C ATOM 58 C GLN A 4 87.039 -6.212 1.407 1.00 0.00 C ATOM 59 O GLN A 4 87.439 -6.329 2.548 1.00 0.00 O ATOM 60 CB GLN A 4 87.123 -8.109 -0.239 1.00 0.00 C ATOM 61 CG GLN A 4 86.301 -9.224 -0.889 1.00 0.00 C ATOM 62 CD GLN A 4 87.193 -10.443 -1.129 1.00 0.00 C ATOM 63 OE1 GLN A 4 88.009 -10.446 -2.029 1.00 0.00 O ATOM 64 NE2 GLN A 4 87.071 -11.488 -0.356 1.00 0.00 N ATOM 0 H GLN A 4 85.226 -6.952 -1.113 1.00 0.00 H new ATOM 0 HA GLN A 4 85.842 -7.962 1.519 1.00 0.00 H new ATOM 0 HB2 GLN A 4 87.523 -7.443 -1.004 1.00 0.00 H new ATOM 0 HB3 GLN A 4 87.976 -8.533 0.292 1.00 0.00 H new ATOM 0 HG2 GLN A 4 85.463 -9.494 -0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 4 85.880 -8.877 -1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 4 86.386 -11.486 0.400 1.00 0.00 H new ATOM 0 HE22 GLN A 4 87.661 -12.306 -0.508 1.00 0.00 H new ATOM 73 N PHE A 5 87.272 -5.130 0.715 1.00 0.00 N ATOM 74 CA PHE A 5 88.041 -4.011 1.327 1.00 0.00 C ATOM 75 C PHE A 5 87.352 -3.550 2.611 1.00 0.00 C ATOM 76 O PHE A 5 87.936 -3.554 3.677 1.00 0.00 O ATOM 77 CB PHE A 5 88.029 -2.898 0.280 1.00 0.00 C ATOM 78 CG PHE A 5 89.001 -1.818 0.688 1.00 0.00 C ATOM 79 CD1 PHE A 5 90.269 -2.164 1.168 1.00 0.00 C ATOM 80 CD2 PHE A 5 88.635 -0.470 0.586 1.00 0.00 C ATOM 81 CE1 PHE A 5 91.172 -1.164 1.547 1.00 0.00 C ATOM 82 CE2 PHE A 5 89.538 0.531 0.965 1.00 0.00 C ATOM 83 CZ PHE A 5 90.807 0.183 1.446 1.00 0.00 C ATOM 0 H PHE A 5 86.964 -4.973 -0.245 1.00 0.00 H new ATOM 0 HA PHE A 5 89.057 -4.301 1.594 1.00 0.00 H new ATOM 0 HB2 PHE A 5 88.302 -3.299 -0.696 1.00 0.00 H new ATOM 0 HB3 PHE A 5 87.026 -2.483 0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 5 90.551 -3.204 1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 5 87.657 -0.203 0.215 1.00 0.00 H new ATOM 0 HE1 PHE A 5 92.150 -1.432 1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 5 89.256 1.571 0.887 1.00 0.00 H new ATOM 0 HZ PHE A 5 91.504 0.955 1.739 1.00 0.00 H new ATOM 93 N ASN A 6 86.110 -3.160 2.519 1.00 0.00 N ATOM 94 CA ASN A 6 85.381 -2.708 3.737 1.00 0.00 C ATOM 95 C ASN A 6 85.646 -3.681 4.887 1.00 0.00 C ATOM 96 O ASN A 6 85.798 -3.286 6.026 1.00 0.00 O ATOM 97 CB ASN A 6 83.904 -2.726 3.343 1.00 0.00 C ATOM 98 CG ASN A 6 83.126 -1.746 4.224 1.00 0.00 C ATOM 99 OD1 ASN A 6 83.590 -1.358 5.277 1.00 0.00 O ATOM 100 ND2 ASN A 6 81.953 -1.328 3.834 1.00 0.00 N ATOM 0 H ASN A 6 85.570 -3.135 1.654 1.00 0.00 H new ATOM 0 HA ASN A 6 85.696 -1.720 4.073 1.00 0.00 H new ATOM 0 HB2 ASN A 6 83.794 -2.454 2.293 1.00 0.00 H new ATOM 0 HB3 ASN A 6 83.499 -3.732 3.455 1.00 0.00 H new ATOM 0 HD21 ASN A 6 81.426 -0.675 4.414 1.00 0.00 H new ATOM 0 HD22 ASN A 6 81.564 -1.654 2.949 1.00 0.00 H new ATOM 107 N GLY A 7 85.708 -4.953 4.594 1.00 0.00 N ATOM 108 CA GLY A 7 85.970 -5.953 5.667 1.00 0.00 C ATOM 109 C GLY A 7 87.322 -5.655 6.316 1.00 0.00 C ATOM 110 O GLY A 7 87.462 -5.681 7.523 1.00 0.00 O ATOM 0 H GLY A 7 85.588 -5.341 3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 7 85.178 -5.916 6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.968 -6.960 5.250 1.00 0.00 H new ATOM 114 N MET A 8 88.321 -5.367 5.526 1.00 0.00 N ATOM 115 CA MET A 8 89.660 -5.062 6.104 1.00 0.00 C ATOM 116 C MET A 8 89.558 -3.858 7.041 1.00 0.00 C ATOM 117 O MET A 8 90.117 -3.849 8.119 1.00 0.00 O ATOM 118 CB MET A 8 90.548 -4.735 4.903 1.00 0.00 C ATOM 119 CG MET A 8 90.849 -6.017 4.126 1.00 0.00 C ATOM 120 SD MET A 8 92.629 -6.345 4.173 1.00 0.00 S ATOM 121 CE MET A 8 92.548 -8.101 3.739 1.00 0.00 C ATOM 0 H MET A 8 88.268 -5.330 4.508 1.00 0.00 H new ATOM 0 HA MET A 8 90.060 -5.891 6.687 1.00 0.00 H new ATOM 0 HB2 MET A 8 90.050 -4.013 4.255 1.00 0.00 H new ATOM 0 HB3 MET A 8 91.477 -4.274 5.239 1.00 0.00 H new ATOM 0 HG2 MET A 8 90.302 -6.855 4.559 1.00 0.00 H new ATOM 0 HG3 MET A 8 90.514 -5.917 3.094 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.543 -8.541 3.814 1.00 0.00 H new ATOM 0 HE2 MET A 8 91.872 -8.614 4.423 1.00 0.00 H new ATOM 0 HE3 MET A 8 92.180 -8.207 2.718 1.00 0.00 H new ATOM 131 N ILE A 9 88.839 -2.846 6.641 1.00 0.00 N ATOM 132 CA ILE A 9 88.691 -1.648 7.513 1.00 0.00 C ATOM 133 C ILE A 9 87.772 -1.982 8.688 1.00 0.00 C ATOM 134 O ILE A 9 87.871 -1.407 9.753 1.00 0.00 O ATOM 135 CB ILE A 9 88.059 -0.579 6.621 1.00 0.00 C ATOM 136 CG1 ILE A 9 88.860 -0.471 5.319 1.00 0.00 C ATOM 137 CG2 ILE A 9 88.077 0.768 7.347 1.00 0.00 C ATOM 138 CD1 ILE A 9 88.457 0.800 4.570 1.00 0.00 C ATOM 0 H ILE A 9 88.348 -2.797 5.748 1.00 0.00 H new ATOM 0 HA ILE A 9 89.641 -1.312 7.929 1.00 0.00 H new ATOM 0 HB ILE A 9 87.028 -0.853 6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 9 89.928 -0.453 5.538 1.00 0.00 H new ATOM 0 HG13 ILE A 9 88.678 -1.346 4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 9 87.626 1.530 6.711 1.00 0.00 H new ATOM 0 HG22 ILE A 9 87.511 0.689 8.275 1.00 0.00 H new ATOM 0 HG23 ILE A 9 89.107 1.046 7.573 1.00 0.00 H new ATOM 0 HD11 ILE A 9 89.028 0.874 3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 9 87.393 0.763 4.337 1.00 0.00 H new ATOM 0 HD13 ILE A 9 88.662 1.670 5.193 1.00 0.00 H new ATOM 150 N LYS A 10 86.884 -2.919 8.501 1.00 0.00 N ATOM 151 CA LYS A 10 85.962 -3.305 9.605 1.00 0.00 C ATOM 152 C LYS A 10 86.739 -4.044 10.695 1.00 0.00 C ATOM 153 O LYS A 10 86.504 -3.862 11.873 1.00 0.00 O ATOM 154 CB LYS A 10 84.935 -4.234 8.956 1.00 0.00 C ATOM 155 CG LYS A 10 83.756 -3.412 8.434 1.00 0.00 C ATOM 156 CD LYS A 10 82.497 -3.768 9.227 1.00 0.00 C ATOM 157 CE LYS A 10 81.508 -4.496 8.314 1.00 0.00 C ATOM 158 NZ LYS A 10 81.862 -5.937 8.438 1.00 0.00 N ATOM 0 H LYS A 10 86.757 -3.434 7.630 1.00 0.00 H new ATOM 0 HA LYS A 10 85.489 -2.442 10.075 1.00 0.00 H new ATOM 0 HB2 LYS A 10 85.396 -4.787 8.138 1.00 0.00 H new ATOM 0 HB3 LYS A 10 84.586 -4.969 9.681 1.00 0.00 H new ATOM 0 HG2 LYS A 10 83.970 -2.348 8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 10 83.600 -3.612 7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 10 82.756 -4.399 10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 10 82.040 -2.864 9.629 1.00 0.00 H new ATOM 0 HE2 LYS A 10 80.478 -4.314 8.622 1.00 0.00 H new ATOM 0 HE3 LYS A 10 81.597 -4.154 7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 81.227 -6.503 7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 82.845 -6.080 8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 81.761 -6.235 9.429 1.00 0.00 H new ATOM 172 N CYS A 11 87.666 -4.879 10.309 1.00 0.00 N ATOM 173 CA CYS A 11 88.457 -5.630 11.315 1.00 0.00 C ATOM 174 C CYS A 11 89.320 -4.667 12.131 1.00 0.00 C ATOM 175 O CYS A 11 89.340 -4.708 13.344 1.00 0.00 O ATOM 176 CB CYS A 11 89.334 -6.576 10.497 1.00 0.00 C ATOM 177 SG CYS A 11 90.122 -7.776 11.600 1.00 0.00 S ATOM 0 H CYS A 11 87.907 -5.071 9.337 1.00 0.00 H new ATOM 0 HA CYS A 11 87.827 -6.168 12.023 1.00 0.00 H new ATOM 0 HB2 CYS A 11 88.731 -7.093 9.751 1.00 0.00 H new ATOM 0 HB3 CYS A 11 90.093 -6.010 9.957 1.00 0.00 H new ATOM 182 N LYS A 12 90.035 -3.799 11.469 1.00 0.00 N ATOM 183 CA LYS A 12 90.899 -2.831 12.204 1.00 0.00 C ATOM 184 C LYS A 12 90.036 -1.872 13.028 1.00 0.00 C ATOM 185 O LYS A 12 90.429 -1.417 14.084 1.00 0.00 O ATOM 186 CB LYS A 12 91.657 -2.068 11.117 1.00 0.00 C ATOM 187 CG LYS A 12 92.707 -2.983 10.487 1.00 0.00 C ATOM 188 CD LYS A 12 94.059 -2.751 11.164 1.00 0.00 C ATOM 189 CE LYS A 12 93.930 -3.014 12.667 1.00 0.00 C ATOM 190 NZ LYS A 12 95.300 -2.805 13.217 1.00 0.00 N ATOM 0 H LYS A 12 90.059 -3.718 10.453 1.00 0.00 H new ATOM 0 HA LYS A 12 91.575 -3.329 12.899 1.00 0.00 H new ATOM 0 HB2 LYS A 12 90.963 -1.715 10.354 1.00 0.00 H new ATOM 0 HB3 LYS A 12 92.136 -1.187 11.544 1.00 0.00 H new ATOM 0 HG2 LYS A 12 92.408 -4.026 10.596 1.00 0.00 H new ATOM 0 HG3 LYS A 12 92.785 -2.783 9.418 1.00 0.00 H new ATOM 0 HD2 LYS A 12 94.812 -3.410 10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 12 94.394 -1.728 10.990 1.00 0.00 H new ATOM 0 HE2 LYS A 12 93.213 -2.334 13.126 1.00 0.00 H new ATOM 0 HE3 LYS A 12 93.578 -4.027 12.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 95.290 -2.968 14.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 95.960 -3.471 12.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 95.607 -1.830 13.024 1.00 0.00 H new ATOM 204 N ILE A 13 88.861 -1.561 12.552 1.00 0.00 N ATOM 205 CA ILE A 13 87.972 -0.630 13.307 1.00 0.00 C ATOM 206 C ILE A 13 86.552 -1.199 13.380 1.00 0.00 C ATOM 207 O ILE A 13 85.724 -0.913 12.538 1.00 0.00 O ATOM 208 CB ILE A 13 87.990 0.672 12.505 1.00 0.00 C ATOM 209 CG1 ILE A 13 89.439 1.055 12.191 1.00 0.00 C ATOM 210 CG2 ILE A 13 87.333 1.787 13.322 1.00 0.00 C ATOM 211 CD1 ILE A 13 89.485 2.486 11.651 1.00 0.00 C ATOM 0 H ILE A 13 88.478 -1.911 11.674 1.00 0.00 H new ATOM 0 HA ILE A 13 88.306 -0.480 14.334 1.00 0.00 H new ATOM 0 HB ILE A 13 87.439 0.533 11.575 1.00 0.00 H new ATOM 0 HG12 ILE A 13 90.050 0.975 13.090 1.00 0.00 H new ATOM 0 HG13 ILE A 13 89.858 0.365 11.458 1.00 0.00 H new ATOM 0 HG21 ILE A 13 87.347 2.714 12.749 1.00 0.00 H new ATOM 0 HG22 ILE A 13 86.302 1.514 13.547 1.00 0.00 H new ATOM 0 HG23 ILE A 13 87.882 1.928 14.253 1.00 0.00 H new ATOM 0 HD11 ILE A 13 90.517 2.758 11.428 1.00 0.00 H new ATOM 0 HD12 ILE A 13 88.888 2.551 10.742 1.00 0.00 H new ATOM 0 HD13 ILE A 13 89.083 3.170 12.399 1.00 0.00 H new ATOM 223 N PRO A 14 86.323 -1.993 14.391 1.00 0.00 N ATOM 224 CA PRO A 14 84.995 -2.618 14.585 1.00 0.00 C ATOM 225 C PRO A 14 84.013 -1.608 15.188 1.00 0.00 C ATOM 226 O PRO A 14 82.812 -1.778 15.118 1.00 0.00 O ATOM 227 CB PRO A 14 85.275 -3.750 15.568 1.00 0.00 C ATOM 228 CG PRO A 14 86.503 -3.332 16.317 1.00 0.00 C ATOM 229 CD PRO A 14 87.276 -2.379 15.437 1.00 0.00 C ATOM 0 HA PRO A 14 84.544 -2.966 13.655 1.00 0.00 H new ATOM 0 HB2 PRO A 14 84.434 -3.900 16.245 1.00 0.00 H new ATOM 0 HB3 PRO A 14 85.435 -4.693 15.046 1.00 0.00 H new ATOM 0 HG2 PRO A 14 86.232 -2.851 17.257 1.00 0.00 H new ATOM 0 HG3 PRO A 14 87.112 -4.200 16.568 1.00 0.00 H new ATOM 0 HD2 PRO A 14 87.622 -1.511 15.999 1.00 0.00 H new ATOM 0 HD3 PRO A 14 88.159 -2.857 15.013 1.00 0.00 H new ATOM 237 N SER A 15 84.517 -0.563 15.784 1.00 0.00 N ATOM 238 CA SER A 15 83.614 0.454 16.396 1.00 0.00 C ATOM 239 C SER A 15 83.153 1.464 15.343 1.00 0.00 C ATOM 240 O SER A 15 82.394 2.369 15.630 1.00 0.00 O ATOM 241 CB SER A 15 84.464 1.145 17.462 1.00 0.00 C ATOM 242 OG SER A 15 85.395 2.013 16.829 1.00 0.00 O ATOM 0 H SER A 15 85.514 -0.369 15.874 1.00 0.00 H new ATOM 0 HA SER A 15 82.714 0.004 16.816 1.00 0.00 H new ATOM 0 HB2 SER A 15 83.827 1.710 18.142 1.00 0.00 H new ATOM 0 HB3 SER A 15 84.991 0.403 18.062 1.00 0.00 H new ATOM 0 HG SER A 15 85.941 2.459 17.509 1.00 0.00 H new ATOM 248 N SER A 16 83.606 1.322 14.128 1.00 0.00 N ATOM 249 CA SER A 16 83.189 2.282 13.066 1.00 0.00 C ATOM 250 C SER A 16 83.422 1.680 11.678 1.00 0.00 C ATOM 251 O SER A 16 84.350 0.926 11.464 1.00 0.00 O ATOM 252 CB SER A 16 84.077 3.508 13.273 1.00 0.00 C ATOM 253 OG SER A 16 83.281 4.683 13.201 1.00 0.00 O ATOM 0 H SER A 16 84.244 0.586 13.825 1.00 0.00 H new ATOM 0 HA SER A 16 82.129 2.528 13.128 1.00 0.00 H new ATOM 0 HB2 SER A 16 84.575 3.451 14.241 1.00 0.00 H new ATOM 0 HB3 SER A 16 84.859 3.537 12.514 1.00 0.00 H new ATOM 0 HG SER A 16 83.848 5.471 13.335 1.00 0.00 H new ATOM 259 N GLU A 17 82.585 2.011 10.732 1.00 0.00 N ATOM 260 CA GLU A 17 82.757 1.463 9.356 1.00 0.00 C ATOM 261 C GLU A 17 83.121 2.588 8.383 1.00 0.00 C ATOM 262 O GLU A 17 82.789 3.735 8.609 1.00 0.00 O ATOM 263 CB GLU A 17 81.396 0.865 8.998 1.00 0.00 C ATOM 264 CG GLU A 17 81.176 -0.421 9.796 1.00 0.00 C ATOM 265 CD GLU A 17 79.801 -0.379 10.466 1.00 0.00 C ATOM 266 OE1 GLU A 17 79.609 0.462 11.329 1.00 0.00 O ATOM 267 OE2 GLU A 17 78.963 -1.189 10.104 1.00 0.00 O ATOM 0 H GLU A 17 81.789 2.638 10.853 1.00 0.00 H new ATOM 0 HA GLU A 17 83.556 0.723 9.301 1.00 0.00 H new ATOM 0 HB2 GLU A 17 80.604 1.581 9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 17 81.349 0.655 7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 17 81.244 -1.286 9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 17 81.956 -0.532 10.549 1.00 0.00 H new ATOM 274 N PRO A 18 83.795 2.218 7.329 1.00 0.00 N ATOM 275 CA PRO A 18 84.212 3.207 6.305 1.00 0.00 C ATOM 276 C PRO A 18 83.000 3.678 5.498 1.00 0.00 C ATOM 277 O PRO A 18 82.782 4.859 5.320 1.00 0.00 O ATOM 278 CB PRO A 18 85.182 2.424 5.426 1.00 0.00 C ATOM 279 CG PRO A 18 84.790 0.991 5.601 1.00 0.00 C ATOM 280 CD PRO A 18 84.226 0.858 6.992 1.00 0.00 C ATOM 0 HA PRO A 18 84.662 4.104 6.730 1.00 0.00 H new ATOM 0 HB2 PRO A 18 85.105 2.730 4.383 1.00 0.00 H new ATOM 0 HB3 PRO A 18 86.215 2.591 5.732 1.00 0.00 H new ATOM 0 HG2 PRO A 18 84.051 0.699 4.855 1.00 0.00 H new ATOM 0 HG3 PRO A 18 85.651 0.336 5.469 1.00 0.00 H new ATOM 0 HD2 PRO A 18 83.392 0.156 7.020 1.00 0.00 H new ATOM 0 HD3 PRO A 18 84.975 0.491 7.694 1.00 0.00 H new ATOM 288 N LEU A 19 82.210 2.761 5.010 1.00 0.00 N ATOM 289 CA LEU A 19 81.011 3.157 4.218 1.00 0.00 C ATOM 290 C LEU A 19 80.076 4.013 5.076 1.00 0.00 C ATOM 291 O LEU A 19 79.188 4.674 4.576 1.00 0.00 O ATOM 292 CB LEU A 19 80.333 1.839 3.840 1.00 0.00 C ATOM 293 CG LEU A 19 80.713 1.460 2.407 1.00 0.00 C ATOM 294 CD1 LEU A 19 80.007 2.396 1.425 1.00 0.00 C ATOM 295 CD2 LEU A 19 82.228 1.587 2.230 1.00 0.00 C ATOM 0 H LEU A 19 82.343 1.756 5.125 1.00 0.00 H new ATOM 0 HA LEU A 19 81.271 3.748 3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 19 80.638 1.051 4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 19 79.251 1.937 3.926 1.00 0.00 H new ATOM 0 HG LEU A 19 80.408 0.432 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 19 80.279 2.125 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 19 78.928 2.307 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 19 80.311 3.424 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 19 82.499 1.317 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 19 82.532 2.615 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 19 82.733 0.919 2.928 1.00 0.00 H new ATOM 307 N LEU A 20 80.269 4.003 6.367 1.00 0.00 N ATOM 308 CA LEU A 20 79.391 4.812 7.260 1.00 0.00 C ATOM 309 C LEU A 20 80.211 5.890 7.976 1.00 0.00 C ATOM 310 O LEU A 20 79.847 6.360 9.035 1.00 0.00 O ATOM 311 CB LEU A 20 78.823 3.812 8.266 1.00 0.00 C ATOM 312 CG LEU A 20 78.266 2.598 7.519 1.00 0.00 C ATOM 313 CD1 LEU A 20 77.839 1.528 8.525 1.00 0.00 C ATOM 314 CD2 LEU A 20 77.055 3.024 6.685 1.00 0.00 C ATOM 0 H LEU A 20 80.997 3.469 6.842 1.00 0.00 H new ATOM 0 HA LEU A 20 78.604 5.328 6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 20 79.601 3.499 8.962 1.00 0.00 H new ATOM 0 HB3 LEU A 20 78.036 4.281 8.857 1.00 0.00 H new ATOM 0 HG LEU A 20 79.036 2.192 6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 20 77.443 0.664 7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 20 78.700 1.223 9.120 1.00 0.00 H new ATOM 0 HD13 LEU A 20 77.069 1.933 9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 20 76.658 2.160 6.153 1.00 0.00 H new ATOM 0 HD22 LEU A 20 76.286 3.431 7.342 1.00 0.00 H new ATOM 0 HD23 LEU A 20 77.358 3.785 5.966 1.00 0.00 H new ATOM 326 N ASP A 21 81.314 6.286 7.402 1.00 0.00 N ATOM 327 CA ASP A 21 82.158 7.336 8.043 1.00 0.00 C ATOM 328 C ASP A 21 83.220 7.825 7.056 1.00 0.00 C ATOM 329 O ASP A 21 83.223 8.969 6.648 1.00 0.00 O ATOM 330 CB ASP A 21 82.815 6.646 9.240 1.00 0.00 C ATOM 331 CG ASP A 21 82.590 7.486 10.499 1.00 0.00 C ATOM 332 OD1 ASP A 21 83.041 8.619 10.520 1.00 0.00 O ATOM 333 OD2 ASP A 21 81.969 6.981 11.420 1.00 0.00 O ATOM 0 H ASP A 21 81.668 5.928 6.515 1.00 0.00 H new ATOM 0 HA ASP A 21 81.577 8.206 8.348 1.00 0.00 H new ATOM 0 HB2 ASP A 21 82.395 5.649 9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 21 83.883 6.520 9.060 1.00 0.00 H new ATOM 338 N PHE A 22 84.118 6.963 6.665 1.00 0.00 N ATOM 339 CA PHE A 22 85.177 7.373 5.699 1.00 0.00 C ATOM 340 C PHE A 22 84.621 7.352 4.272 1.00 0.00 C ATOM 341 O PHE A 22 85.345 7.518 3.310 1.00 0.00 O ATOM 342 CB PHE A 22 86.285 6.329 5.856 1.00 0.00 C ATOM 343 CG PHE A 22 86.540 6.067 7.322 1.00 0.00 C ATOM 344 CD1 PHE A 22 86.401 7.102 8.255 1.00 0.00 C ATOM 345 CD2 PHE A 22 86.917 4.787 7.748 1.00 0.00 C ATOM 346 CE1 PHE A 22 86.639 6.857 9.613 1.00 0.00 C ATOM 347 CE2 PHE A 22 87.155 4.542 9.106 1.00 0.00 C ATOM 348 CZ PHE A 22 87.016 5.577 10.039 1.00 0.00 C ATOM 0 H PHE A 22 84.164 5.992 6.973 1.00 0.00 H new ATOM 0 HA PHE A 22 85.540 8.383 5.887 1.00 0.00 H new ATOM 0 HB2 PHE A 22 85.998 5.404 5.357 1.00 0.00 H new ATOM 0 HB3 PHE A 22 87.198 6.680 5.376 1.00 0.00 H new ATOM 0 HD1 PHE A 22 86.110 8.089 7.927 1.00 0.00 H new ATOM 0 HD2 PHE A 22 87.024 3.989 7.029 1.00 0.00 H new ATOM 0 HE1 PHE A 22 86.532 7.655 10.332 1.00 0.00 H new ATOM 0 HE2 PHE A 22 87.446 3.555 9.434 1.00 0.00 H new ATOM 0 HZ PHE A 22 87.199 5.388 11.086 1.00 0.00 H new ATOM 358 N ASN A 23 83.340 7.143 4.128 1.00 0.00 N ATOM 359 CA ASN A 23 82.736 7.104 2.765 1.00 0.00 C ATOM 360 C ASN A 23 82.907 8.454 2.062 1.00 0.00 C ATOM 361 O ASN A 23 82.807 9.499 2.673 1.00 0.00 O ATOM 362 CB ASN A 23 81.254 6.805 2.999 1.00 0.00 C ATOM 363 CG ASN A 23 80.589 8.007 3.672 1.00 0.00 C ATOM 364 OD1 ASN A 23 80.600 8.099 4.974 1.00 0.00 O flip ATOM 365 ND2 ASN A 23 80.055 8.872 3.007 1.00 0.00 N flip ATOM 0 H ASN A 23 82.685 6.997 4.896 1.00 0.00 H new ATOM 0 HA ASN A 23 83.210 6.357 2.128 1.00 0.00 H new ATOM 0 HB2 ASN A 23 80.762 6.588 2.051 1.00 0.00 H new ATOM 0 HB3 ASN A 23 81.146 5.919 3.625 1.00 0.00 H new ATOM 0 HD21 ASN A 23 80.046 8.801 1.990 1.00 0.00 H new ATOM 0 HD22 ASN A 23 79.615 9.670 3.466 1.00 0.00 H new ATOM 372 N ASN A 24 83.150 8.429 0.776 1.00 0.00 N ATOM 373 CA ASN A 24 83.320 9.691 0.001 1.00 0.00 C ATOM 374 C ASN A 24 84.014 10.767 0.841 1.00 0.00 C ATOM 375 O ASN A 24 83.401 11.724 1.270 1.00 0.00 O ATOM 376 CB ASN A 24 81.902 10.129 -0.372 1.00 0.00 C ATOM 377 CG ASN A 24 81.029 8.904 -0.667 1.00 0.00 C ATOM 378 OD1 ASN A 24 81.559 7.870 -1.263 1.00 0.00 O flip ATOM 379 ND2 ASN A 24 79.856 8.888 -0.351 1.00 0.00 N flip ATOM 0 H ASN A 24 83.239 7.575 0.225 1.00 0.00 H new ATOM 0 HA ASN A 24 83.946 9.539 -0.878 1.00 0.00 H new ATOM 0 HB2 ASN A 24 81.466 10.707 0.443 1.00 0.00 H new ATOM 0 HB3 ASN A 24 81.933 10.781 -1.245 1.00 0.00 H new ATOM 0 HD21 ASN A 24 79.442 9.696 0.115 1.00 0.00 H new ATOM 0 HD22 ASN A 24 79.285 8.067 -0.551 1.00 0.00 H new ATOM 386 N TYR A 25 85.290 10.623 1.071 1.00 0.00 N ATOM 387 CA TYR A 25 86.026 11.642 1.875 1.00 0.00 C ATOM 388 C TYR A 25 87.369 11.947 1.203 1.00 0.00 C ATOM 389 O TYR A 25 87.878 11.159 0.433 1.00 0.00 O ATOM 390 CB TYR A 25 86.221 10.989 3.251 1.00 0.00 C ATOM 391 CG TYR A 25 87.441 11.564 3.940 1.00 0.00 C ATOM 392 CD1 TYR A 25 87.329 12.721 4.722 1.00 0.00 C ATOM 393 CD2 TYR A 25 88.682 10.933 3.799 1.00 0.00 C ATOM 394 CE1 TYR A 25 88.460 13.246 5.360 1.00 0.00 C ATOM 395 CE2 TYR A 25 89.812 11.456 4.438 1.00 0.00 C ATOM 396 CZ TYR A 25 89.702 12.613 5.219 1.00 0.00 C ATOM 397 OH TYR A 25 90.816 13.130 5.850 1.00 0.00 O ATOM 0 H TYR A 25 85.856 9.843 0.737 1.00 0.00 H new ATOM 0 HA TYR A 25 85.494 12.590 1.960 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.337 11.153 3.867 1.00 0.00 H new ATOM 0 HB3 TYR A 25 86.334 9.911 3.136 1.00 0.00 H new ATOM 0 HD1 TYR A 25 86.371 13.208 4.833 1.00 0.00 H new ATOM 0 HD2 TYR A 25 88.768 10.041 3.196 1.00 0.00 H new ATOM 0 HE1 TYR A 25 88.375 14.139 5.961 1.00 0.00 H new ATOM 0 HE2 TYR A 25 90.769 10.967 4.329 1.00 0.00 H new ATOM 0 HH TYR A 25 90.813 12.861 6.792 1.00 0.00 H new ATOM 407 N GLY A 26 87.946 13.084 1.477 1.00 0.00 N ATOM 408 CA GLY A 26 89.248 13.416 0.837 1.00 0.00 C ATOM 409 C GLY A 26 89.117 13.254 -0.676 1.00 0.00 C ATOM 410 O GLY A 26 88.031 13.114 -1.203 1.00 0.00 O ATOM 0 H GLY A 26 87.576 13.792 2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.538 14.438 1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 26 90.032 12.762 1.219 1.00 0.00 H new ATOM 414 N CYS A 27 90.211 13.274 -1.379 1.00 0.00 N ATOM 415 CA CYS A 27 90.143 13.123 -2.859 1.00 0.00 C ATOM 416 C CYS A 27 90.647 11.738 -3.278 1.00 0.00 C ATOM 417 O CYS A 27 90.714 11.423 -4.449 1.00 0.00 O ATOM 418 CB CYS A 27 91.052 14.221 -3.411 1.00 0.00 C ATOM 419 SG CYS A 27 90.048 15.423 -4.319 1.00 0.00 S ATOM 0 H CYS A 27 91.149 13.388 -0.995 1.00 0.00 H new ATOM 0 HA CYS A 27 89.124 13.211 -3.237 1.00 0.00 H new ATOM 0 HB2 CYS A 27 91.583 14.714 -2.597 1.00 0.00 H new ATOM 0 HB3 CYS A 27 91.807 13.789 -4.068 1.00 0.00 H new ATOM 424 N TYR A 28 91.000 10.907 -2.333 1.00 0.00 N ATOM 425 CA TYR A 28 91.495 9.547 -2.690 1.00 0.00 C ATOM 426 C TYR A 28 90.610 8.471 -2.052 1.00 0.00 C ATOM 427 O TYR A 28 90.438 7.398 -2.594 1.00 0.00 O ATOM 428 CB TYR A 28 92.917 9.484 -2.130 1.00 0.00 C ATOM 429 CG TYR A 28 93.822 10.358 -2.965 1.00 0.00 C ATOM 430 CD1 TYR A 28 94.267 9.914 -4.216 1.00 0.00 C ATOM 431 CD2 TYR A 28 94.213 11.616 -2.489 1.00 0.00 C ATOM 432 CE1 TYR A 28 95.102 10.728 -4.991 1.00 0.00 C ATOM 433 CE2 TYR A 28 95.050 12.429 -3.264 1.00 0.00 C ATOM 434 CZ TYR A 28 95.494 11.985 -4.515 1.00 0.00 C ATOM 435 OH TYR A 28 96.316 12.786 -5.280 1.00 0.00 O ATOM 0 H TYR A 28 90.967 11.111 -1.334 1.00 0.00 H new ATOM 0 HA TYR A 28 91.474 9.369 -3.765 1.00 0.00 H new ATOM 0 HB2 TYR A 28 92.927 9.818 -1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 28 93.278 8.455 -2.137 1.00 0.00 H new ATOM 0 HD1 TYR A 28 93.966 8.944 -4.583 1.00 0.00 H new ATOM 0 HD2 TYR A 28 93.869 11.959 -1.524 1.00 0.00 H new ATOM 0 HE1 TYR A 28 95.444 10.386 -5.957 1.00 0.00 H new ATOM 0 HE2 TYR A 28 95.353 13.398 -2.896 1.00 0.00 H new ATOM 0 HH TYR A 28 96.040 13.722 -5.186 1.00 0.00 H new ATOM 445 N CYS A 29 90.045 8.747 -0.907 1.00 0.00 N ATOM 446 CA CYS A 29 89.172 7.732 -0.247 1.00 0.00 C ATOM 447 C CYS A 29 87.878 7.553 -1.045 1.00 0.00 C ATOM 448 O CYS A 29 87.493 8.405 -1.820 1.00 0.00 O ATOM 449 CB CYS A 29 88.870 8.296 1.142 1.00 0.00 C ATOM 450 SG CYS A 29 90.416 8.543 2.049 1.00 0.00 S ATOM 0 H CYS A 29 90.149 9.627 -0.402 1.00 0.00 H new ATOM 0 HA CYS A 29 89.652 6.755 -0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.334 9.241 1.053 1.00 0.00 H new ATOM 0 HB3 CYS A 29 88.221 7.612 1.689 1.00 0.00 H new ATOM 455 N GLY A 30 87.205 6.450 -0.863 1.00 0.00 N ATOM 456 CA GLY A 30 85.938 6.219 -1.613 1.00 0.00 C ATOM 457 C GLY A 30 86.209 5.297 -2.804 1.00 0.00 C ATOM 458 O GLY A 30 86.622 4.166 -2.644 1.00 0.00 O ATOM 0 H GLY A 30 87.477 5.700 -0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 30 85.191 5.772 -0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 30 85.530 7.168 -1.960 1.00 0.00 H new ATOM 462 N LEU A 31 85.981 5.773 -3.997 1.00 0.00 N ATOM 463 CA LEU A 31 86.227 4.923 -5.198 1.00 0.00 C ATOM 464 C LEU A 31 86.933 5.738 -6.286 1.00 0.00 C ATOM 465 O LEU A 31 87.797 5.244 -6.982 1.00 0.00 O ATOM 466 CB LEU A 31 84.837 4.490 -5.666 1.00 0.00 C ATOM 467 CG LEU A 31 84.447 3.185 -4.969 1.00 0.00 C ATOM 468 CD1 LEU A 31 82.944 3.185 -4.683 1.00 0.00 C ATOM 469 CD2 LEU A 31 84.789 2.001 -5.877 1.00 0.00 C ATOM 0 H LEU A 31 85.635 6.712 -4.193 1.00 0.00 H new ATOM 0 HA LEU A 31 86.867 4.068 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 31 84.107 5.267 -5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 31 84.832 4.353 -6.747 1.00 0.00 H new ATOM 0 HG LEU A 31 84.996 3.099 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 31 82.668 2.255 -4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 31 82.696 4.028 -4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 31 82.395 3.272 -5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 31 84.512 1.071 -5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 31 84.240 2.091 -6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 31 85.859 1.997 -6.083 1.00 0.00 H new ATOM 481 N GLY A 32 86.571 6.983 -6.437 1.00 0.00 N ATOM 482 CA GLY A 32 87.221 7.829 -7.478 1.00 0.00 C ATOM 483 C GLY A 32 87.891 9.032 -6.813 1.00 0.00 C ATOM 484 O GLY A 32 88.673 8.889 -5.894 1.00 0.00 O ATOM 0 H GLY A 32 85.853 7.451 -5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 32 87.960 7.245 -8.027 1.00 0.00 H new ATOM 0 HA3 GLY A 32 86.480 8.167 -8.202 1.00 0.00 H new ATOM 488 N GLY A 33 87.591 10.217 -7.268 1.00 0.00 N ATOM 489 CA GLY A 33 88.212 11.427 -6.659 1.00 0.00 C ATOM 490 C GLY A 33 89.679 11.517 -7.082 1.00 0.00 C ATOM 491 O GLY A 33 90.259 10.558 -7.552 1.00 0.00 O ATOM 0 H GLY A 33 86.943 10.400 -8.034 1.00 0.00 H new ATOM 0 HA2 GLY A 33 87.676 12.322 -6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 33 88.138 11.379 -5.573 1.00 0.00 H new ATOM 495 N SER A 34 90.283 12.661 -6.921 1.00 0.00 N ATOM 496 CA SER A 34 91.713 12.810 -7.316 1.00 0.00 C ATOM 497 C SER A 34 92.177 14.251 -7.085 1.00 0.00 C ATOM 498 O SER A 34 91.419 15.189 -7.232 1.00 0.00 O ATOM 499 CB SER A 34 91.748 12.467 -8.805 1.00 0.00 C ATOM 500 OG SER A 34 92.714 13.284 -9.452 1.00 0.00 O ATOM 0 H SER A 34 89.850 13.499 -6.533 1.00 0.00 H new ATOM 0 HA SER A 34 92.373 12.167 -6.734 1.00 0.00 H new ATOM 0 HB2 SER A 34 91.995 11.414 -8.942 1.00 0.00 H new ATOM 0 HB3 SER A 34 90.765 12.624 -9.249 1.00 0.00 H new ATOM 0 HG SER A 34 92.740 13.066 -10.407 1.00 0.00 H new ATOM 506 N GLY A 35 93.418 14.433 -6.725 1.00 0.00 N ATOM 507 CA GLY A 35 93.927 15.813 -6.486 1.00 0.00 C ATOM 508 C GLY A 35 94.536 15.904 -5.085 1.00 0.00 C ATOM 509 O GLY A 35 94.501 14.961 -4.319 1.00 0.00 O ATOM 0 H GLY A 35 94.100 13.687 -6.586 1.00 0.00 H new ATOM 0 HA2 GLY A 35 94.676 16.070 -7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 35 93.115 16.533 -6.587 1.00 0.00 H new ATOM 513 N THR A 36 95.094 17.034 -4.744 1.00 0.00 N ATOM 514 CA THR A 36 95.705 17.191 -3.392 1.00 0.00 C ATOM 515 C THR A 36 94.785 16.596 -2.322 1.00 0.00 C ATOM 516 O THR A 36 93.584 16.769 -2.369 1.00 0.00 O ATOM 517 CB THR A 36 95.851 18.703 -3.201 1.00 0.00 C ATOM 518 OG1 THR A 36 96.969 19.165 -3.946 1.00 0.00 O ATOM 519 CG2 THR A 36 96.057 19.021 -1.719 1.00 0.00 C ATOM 0 H THR A 36 95.153 17.857 -5.344 1.00 0.00 H new ATOM 0 HA THR A 36 96.661 16.675 -3.306 1.00 0.00 H new ATOM 0 HB THR A 36 94.947 19.201 -3.551 1.00 0.00 H new ATOM 0 HG1 THR A 36 97.064 20.133 -3.827 1.00 0.00 H new ATOM 0 HG21 THR A 36 96.160 20.098 -1.589 1.00 0.00 H new ATOM 0 HG22 THR A 36 95.198 18.667 -1.148 1.00 0.00 H new ATOM 0 HG23 THR A 36 96.959 18.524 -1.362 1.00 0.00 H new ATOM 527 N PRO A 37 95.388 15.912 -1.387 1.00 0.00 N ATOM 528 CA PRO A 37 94.619 15.279 -0.286 1.00 0.00 C ATOM 529 C PRO A 37 94.073 16.347 0.668 1.00 0.00 C ATOM 530 O PRO A 37 94.269 17.529 0.468 1.00 0.00 O ATOM 531 CB PRO A 37 95.651 14.397 0.411 1.00 0.00 C ATOM 532 CG PRO A 37 96.971 15.019 0.087 1.00 0.00 C ATOM 533 CD PRO A 37 96.829 15.665 -1.266 1.00 0.00 C ATOM 0 HA PRO A 37 93.753 14.716 -0.635 1.00 0.00 H new ATOM 0 HB2 PRO A 37 95.482 14.367 1.487 1.00 0.00 H new ATOM 0 HB3 PRO A 37 95.600 13.369 0.051 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.246 15.757 0.841 1.00 0.00 H new ATOM 0 HG3 PRO A 37 97.760 14.267 0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.400 16.591 -1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 37 97.191 15.013 -2.061 1.00 0.00 H new ATOM 541 N VAL A 38 93.387 15.940 1.701 1.00 0.00 N ATOM 542 CA VAL A 38 92.827 16.934 2.662 1.00 0.00 C ATOM 543 C VAL A 38 93.347 16.663 4.077 1.00 0.00 C ATOM 544 O VAL A 38 93.312 17.522 4.935 1.00 0.00 O ATOM 545 CB VAL A 38 91.312 16.731 2.602 1.00 0.00 C ATOM 546 CG1 VAL A 38 90.778 17.269 1.273 1.00 0.00 C ATOM 547 CG2 VAL A 38 90.992 15.238 2.712 1.00 0.00 C ATOM 0 H VAL A 38 93.190 14.964 1.921 1.00 0.00 H new ATOM 0 HA VAL A 38 93.115 17.955 2.411 1.00 0.00 H new ATOM 0 HB VAL A 38 90.841 17.266 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 38 89.698 17.125 1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 38 91.006 18.332 1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 38 91.249 16.734 0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 38 89.913 15.093 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 38 91.463 14.703 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 38 91.373 14.853 3.658 1.00 0.00 H new ATOM 557 N ASP A 39 93.827 15.476 4.329 1.00 0.00 N ATOM 558 CA ASP A 39 94.345 15.159 5.691 1.00 0.00 C ATOM 559 C ASP A 39 95.205 13.894 5.651 1.00 0.00 C ATOM 560 O ASP A 39 95.492 13.358 4.598 1.00 0.00 O ATOM 561 CB ASP A 39 93.096 14.932 6.543 1.00 0.00 C ATOM 562 CG ASP A 39 93.323 15.502 7.944 1.00 0.00 C ATOM 563 OD1 ASP A 39 93.070 16.681 8.129 1.00 0.00 O ATOM 564 OD2 ASP A 39 93.745 14.751 8.807 1.00 0.00 O ATOM 0 H ASP A 39 93.883 14.714 3.653 1.00 0.00 H new ATOM 0 HA ASP A 39 94.974 15.955 6.090 1.00 0.00 H new ATOM 0 HB2 ASP A 39 92.234 15.412 6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 39 92.873 13.867 6.604 1.00 0.00 H new ATOM 569 N ASP A 40 95.620 13.411 6.791 1.00 0.00 N ATOM 570 CA ASP A 40 96.462 12.181 6.816 1.00 0.00 C ATOM 571 C ASP A 40 95.632 10.967 6.392 1.00 0.00 C ATOM 572 O ASP A 40 96.132 10.046 5.777 1.00 0.00 O ATOM 573 CB ASP A 40 96.917 12.041 8.269 1.00 0.00 C ATOM 574 CG ASP A 40 98.333 12.602 8.419 1.00 0.00 C ATOM 575 OD1 ASP A 40 98.668 13.516 7.683 1.00 0.00 O ATOM 576 OD2 ASP A 40 99.058 12.107 9.266 1.00 0.00 O ATOM 0 H ASP A 40 95.413 13.814 7.705 1.00 0.00 H new ATOM 0 HA ASP A 40 97.307 12.243 6.131 1.00 0.00 H new ATOM 0 HB2 ASP A 40 96.232 12.574 8.928 1.00 0.00 H new ATOM 0 HB3 ASP A 40 96.896 10.993 8.568 1.00 0.00 H new ATOM 581 N LEU A 41 94.366 10.956 6.709 1.00 0.00 N ATOM 582 CA LEU A 41 93.520 9.797 6.308 1.00 0.00 C ATOM 583 C LEU A 41 93.447 9.724 4.784 1.00 0.00 C ATOM 584 O LEU A 41 93.657 8.685 4.189 1.00 0.00 O ATOM 585 CB LEU A 41 92.137 10.076 6.899 1.00 0.00 C ATOM 586 CG LEU A 41 91.315 8.785 6.892 1.00 0.00 C ATOM 587 CD1 LEU A 41 91.966 7.763 7.819 1.00 0.00 C ATOM 588 CD2 LEU A 41 89.899 9.075 7.386 1.00 0.00 C ATOM 0 H LEU A 41 93.884 11.693 7.224 1.00 0.00 H new ATOM 0 HA LEU A 41 93.920 8.847 6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 41 92.233 10.454 7.917 1.00 0.00 H new ATOM 0 HB3 LEU A 41 91.630 10.847 6.319 1.00 0.00 H new ATOM 0 HG LEU A 41 91.275 8.391 5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 41 91.381 6.843 7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 41 92.978 7.551 7.474 1.00 0.00 H new ATOM 0 HD13 LEU A 41 92.005 8.163 8.832 1.00 0.00 H new ATOM 0 HD21 LEU A 41 89.316 8.154 7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 41 89.942 9.471 8.401 1.00 0.00 H new ATOM 0 HD23 LEU A 41 89.428 9.807 6.730 1.00 0.00 H new ATOM 600 N ASP A 42 93.164 10.826 4.146 1.00 0.00 N ATOM 601 CA ASP A 42 93.091 10.825 2.661 1.00 0.00 C ATOM 602 C ASP A 42 94.402 10.288 2.090 1.00 0.00 C ATOM 603 O ASP A 42 94.421 9.583 1.100 1.00 0.00 O ATOM 604 CB ASP A 42 92.894 12.290 2.273 1.00 0.00 C ATOM 605 CG ASP A 42 92.434 12.376 0.817 1.00 0.00 C ATOM 606 OD1 ASP A 42 92.203 11.333 0.227 1.00 0.00 O ATOM 607 OD2 ASP A 42 92.320 13.482 0.317 1.00 0.00 O ATOM 0 H ASP A 42 92.981 11.726 4.590 1.00 0.00 H new ATOM 0 HA ASP A 42 92.287 10.197 2.278 1.00 0.00 H new ATOM 0 HB2 ASP A 42 92.155 12.754 2.927 1.00 0.00 H new ATOM 0 HB3 ASP A 42 93.826 12.840 2.404 1.00 0.00 H new ATOM 612 N ARG A 43 95.500 10.612 2.717 1.00 0.00 N ATOM 613 CA ARG A 43 96.813 10.117 2.223 1.00 0.00 C ATOM 614 C ARG A 43 96.807 8.591 2.186 1.00 0.00 C ATOM 615 O ARG A 43 97.370 7.976 1.302 1.00 0.00 O ATOM 616 CB ARG A 43 97.835 10.623 3.241 1.00 0.00 C ATOM 617 CG ARG A 43 98.223 12.058 2.896 1.00 0.00 C ATOM 618 CD ARG A 43 99.646 12.083 2.337 1.00 0.00 C ATOM 619 NE ARG A 43 99.698 10.989 1.338 1.00 0.00 N ATOM 620 CZ ARG A 43 100.750 10.847 0.578 1.00 0.00 C ATOM 621 NH1 ARG A 43 101.337 11.897 0.073 1.00 0.00 N ATOM 622 NH2 ARG A 43 101.215 9.654 0.323 1.00 0.00 N ATOM 0 H ARG A 43 95.543 11.199 3.550 1.00 0.00 H new ATOM 0 HA ARG A 43 97.039 10.465 1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 43 97.416 10.579 4.246 1.00 0.00 H new ATOM 0 HB3 ARG A 43 98.718 9.984 3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 43 97.527 12.468 2.165 1.00 0.00 H new ATOM 0 HG3 ARG A 43 98.159 12.687 3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 43 99.870 13.045 1.877 1.00 0.00 H new ATOM 0 HD3 ARG A 43 100.381 11.928 3.127 1.00 0.00 H new ATOM 0 HE ARG A 43 98.911 10.347 1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 43 100.974 12.829 0.272 1.00 0.00 H new ATOM 0 HH12 ARG A 43 102.159 11.786 -0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 43 100.756 8.833 0.718 1.00 0.00 H new ATOM 0 HH22 ARG A 43 102.037 9.543 -0.271 1.00 0.00 H new ATOM 636 N CYS A 44 96.170 7.974 3.142 1.00 0.00 N ATOM 637 CA CYS A 44 96.124 6.493 3.164 1.00 0.00 C ATOM 638 C CYS A 44 95.419 5.979 1.909 1.00 0.00 C ATOM 639 O CYS A 44 95.891 5.080 1.243 1.00 0.00 O ATOM 640 CB CYS A 44 95.324 6.135 4.417 1.00 0.00 C ATOM 641 SG CYS A 44 96.093 6.897 5.866 1.00 0.00 S ATOM 0 H CYS A 44 95.680 8.436 3.908 1.00 0.00 H new ATOM 0 HA CYS A 44 97.118 6.046 3.181 1.00 0.00 H new ATOM 0 HB2 CYS A 44 94.295 6.480 4.315 1.00 0.00 H new ATOM 0 HB3 CYS A 44 95.286 5.053 4.540 1.00 0.00 H new ATOM 646 N CYS A 45 94.296 6.553 1.576 1.00 0.00 N ATOM 647 CA CYS A 45 93.569 6.103 0.354 1.00 0.00 C ATOM 648 C CYS A 45 94.437 6.365 -0.876 1.00 0.00 C ATOM 649 O CYS A 45 94.609 5.513 -1.725 1.00 0.00 O ATOM 650 CB CYS A 45 92.299 6.952 0.302 1.00 0.00 C ATOM 651 SG CYS A 45 91.391 6.785 1.857 1.00 0.00 S ATOM 0 H CYS A 45 93.851 7.311 2.094 1.00 0.00 H new ATOM 0 HA CYS A 45 93.336 5.038 0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 45 92.555 7.997 0.130 1.00 0.00 H new ATOM 0 HB3 CYS A 45 91.672 6.636 -0.532 1.00 0.00 H new ATOM 656 N GLN A 46 94.996 7.541 -0.966 1.00 0.00 N ATOM 657 CA GLN A 46 95.868 7.869 -2.126 1.00 0.00 C ATOM 658 C GLN A 46 96.917 6.771 -2.297 1.00 0.00 C ATOM 659 O GLN A 46 97.323 6.446 -3.395 1.00 0.00 O ATOM 660 CB GLN A 46 96.527 9.198 -1.752 1.00 0.00 C ATOM 661 CG GLN A 46 97.499 9.625 -2.853 1.00 0.00 C ATOM 662 CD GLN A 46 97.945 11.063 -2.606 1.00 0.00 C ATOM 663 OE1 GLN A 46 97.449 11.723 -1.715 1.00 0.00 O ATOM 664 NE2 GLN A 46 98.867 11.579 -3.366 1.00 0.00 N ATOM 0 H GLN A 46 94.885 8.290 -0.283 1.00 0.00 H new ATOM 0 HA GLN A 46 95.321 7.941 -3.066 1.00 0.00 H new ATOM 0 HB2 GLN A 46 95.765 9.964 -1.610 1.00 0.00 H new ATOM 0 HB3 GLN A 46 97.058 9.097 -0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 46 98.364 8.962 -2.867 1.00 0.00 H new ATOM 0 HG3 GLN A 46 97.019 9.544 -3.828 1.00 0.00 H new ATOM 0 HE21 GLN A 46 99.282 11.023 -4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 46 99.175 12.540 -3.214 1.00 0.00 H new ATOM 673 N THR A 47 97.354 6.197 -1.211 1.00 0.00 N ATOM 674 CA THR A 47 98.370 5.119 -1.289 1.00 0.00 C ATOM 675 C THR A 47 97.709 3.802 -1.702 1.00 0.00 C ATOM 676 O THR A 47 98.301 2.985 -2.378 1.00 0.00 O ATOM 677 CB THR A 47 98.947 5.009 0.121 1.00 0.00 C ATOM 678 OG1 THR A 47 99.561 6.239 0.476 1.00 0.00 O ATOM 679 CG2 THR A 47 99.984 3.886 0.160 1.00 0.00 C ATOM 0 H THR A 47 97.047 6.433 -0.267 1.00 0.00 H new ATOM 0 HA THR A 47 99.143 5.334 -2.027 1.00 0.00 H new ATOM 0 HB THR A 47 98.147 4.787 0.828 1.00 0.00 H new ATOM 0 HG1 THR A 47 98.874 6.876 0.765 1.00 0.00 H new ATOM 0 HG21 THR A 47 100.397 3.806 1.166 1.00 0.00 H new ATOM 0 HG22 THR A 47 99.510 2.943 -0.113 1.00 0.00 H new ATOM 0 HG23 THR A 47 100.786 4.107 -0.545 1.00 0.00 H new ATOM 687 N HIS A 48 96.481 3.595 -1.308 1.00 0.00 N ATOM 688 CA HIS A 48 95.782 2.337 -1.690 1.00 0.00 C ATOM 689 C HIS A 48 95.813 2.200 -3.207 1.00 0.00 C ATOM 690 O HIS A 48 96.089 1.147 -3.747 1.00 0.00 O ATOM 691 CB HIS A 48 94.347 2.513 -1.193 1.00 0.00 C ATOM 692 CG HIS A 48 93.627 1.194 -1.254 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.376 1.063 -1.837 1.00 0.00 N ATOM 694 CD2 HIS A 48 93.965 -0.059 -0.805 1.00 0.00 C ATOM 695 CE1 HIS A 48 92.010 -0.227 -1.725 1.00 0.00 C ATOM 696 NE2 HIS A 48 92.942 -0.955 -1.104 1.00 0.00 N ATOM 0 H HIS A 48 95.934 4.242 -0.740 1.00 0.00 H new ATOM 0 HA HIS A 48 96.242 1.445 -1.265 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.349 2.891 -0.171 1.00 0.00 H new ATOM 0 HB3 HIS A 48 93.828 3.251 -1.804 1.00 0.00 H new ATOM 0 HD1 HIS A 48 91.832 1.809 -2.272 1.00 0.00 H new ATOM 0 HD2 HIS A 48 94.884 -0.311 -0.297 1.00 0.00 H new ATOM 0 HE1 HIS A 48 91.076 -0.625 -2.093 1.00 0.00 H new ATOM 704 N ASP A 49 95.546 3.272 -3.893 1.00 0.00 N ATOM 705 CA ASP A 49 95.573 3.236 -5.373 1.00 0.00 C ATOM 706 C ASP A 49 97.003 2.966 -5.846 1.00 0.00 C ATOM 707 O ASP A 49 97.241 2.161 -6.725 1.00 0.00 O ATOM 708 CB ASP A 49 95.113 4.627 -5.808 1.00 0.00 C ATOM 709 CG ASP A 49 93.591 4.641 -5.957 1.00 0.00 C ATOM 710 OD1 ASP A 49 93.116 4.296 -7.027 1.00 0.00 O ATOM 711 OD2 ASP A 49 92.925 4.996 -4.998 1.00 0.00 O ATOM 0 H ASP A 49 95.309 4.177 -3.487 1.00 0.00 H new ATOM 0 HA ASP A 49 94.939 2.455 -5.791 1.00 0.00 H new ATOM 0 HB2 ASP A 49 95.423 5.370 -5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 49 95.584 4.898 -6.753 1.00 0.00 H new ATOM 716 N ASN A 50 97.957 3.638 -5.258 1.00 0.00 N ATOM 717 CA ASN A 50 99.377 3.436 -5.647 1.00 0.00 C ATOM 718 C ASN A 50 99.766 1.965 -5.481 1.00 0.00 C ATOM 719 O ASN A 50 100.644 1.465 -6.157 1.00 0.00 O ATOM 720 CB ASN A 50 100.173 4.314 -4.679 1.00 0.00 C ATOM 721 CG ASN A 50 100.193 5.755 -5.191 1.00 0.00 C ATOM 722 OD1 ASN A 50 99.792 6.718 -4.407 1.00 0.00 O flip ATOM 723 ND2 ASN A 50 100.577 6.007 -6.316 1.00 0.00 N flip ATOM 0 H ASN A 50 97.808 4.324 -4.518 1.00 0.00 H new ATOM 0 HA ASN A 50 99.565 3.697 -6.688 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.725 4.276 -3.686 1.00 0.00 H new ATOM 0 HB3 ASN A 50 101.191 3.937 -4.584 1.00 0.00 H new ATOM 0 HD21 ASN A 50 100.890 5.254 -6.929 1.00 0.00 H new ATOM 0 HD22 ASN A 50 100.586 6.972 -6.648 1.00 0.00 H new ATOM 730 N CYS A 51 99.121 1.270 -4.584 1.00 0.00 N ATOM 731 CA CYS A 51 99.455 -0.167 -4.374 1.00 0.00 C ATOM 732 C CYS A 51 98.888 -1.007 -5.522 1.00 0.00 C ATOM 733 O CYS A 51 99.525 -1.918 -6.012 1.00 0.00 O ATOM 734 CB CYS A 51 98.786 -0.540 -3.050 1.00 0.00 C ATOM 735 SG CYS A 51 99.583 -2.013 -2.361 1.00 0.00 S ATOM 0 H CYS A 51 98.378 1.635 -3.988 1.00 0.00 H new ATOM 0 HA CYS A 51 100.530 -0.346 -4.348 1.00 0.00 H new ATOM 0 HB2 CYS A 51 98.861 0.289 -2.347 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.724 -0.729 -3.208 1.00 0.00 H new ATOM 740 N TYR A 52 97.695 -0.702 -5.960 1.00 0.00 N ATOM 741 CA TYR A 52 97.093 -1.477 -7.082 1.00 0.00 C ATOM 742 C TYR A 52 97.947 -1.314 -8.342 1.00 0.00 C ATOM 743 O TYR A 52 97.983 -2.175 -9.200 1.00 0.00 O ATOM 744 CB TYR A 52 95.707 -0.866 -7.290 1.00 0.00 C ATOM 745 CG TYR A 52 94.700 -1.588 -6.426 1.00 0.00 C ATOM 746 CD1 TYR A 52 94.822 -1.553 -5.032 1.00 0.00 C ATOM 747 CD2 TYR A 52 93.644 -2.290 -7.020 1.00 0.00 C ATOM 748 CE1 TYR A 52 93.888 -2.222 -4.231 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.710 -2.958 -6.219 1.00 0.00 C ATOM 750 CZ TYR A 52 92.832 -2.924 -4.825 1.00 0.00 C ATOM 751 OH TYR A 52 91.911 -3.583 -4.036 1.00 0.00 O ATOM 0 H TYR A 52 97.113 0.049 -5.589 1.00 0.00 H new ATOM 0 HA TYR A 52 97.036 -2.544 -6.867 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.724 0.194 -7.037 1.00 0.00 H new ATOM 0 HB3 TYR A 52 95.420 -0.939 -8.339 1.00 0.00 H new ATOM 0 HD1 TYR A 52 95.636 -1.010 -4.574 1.00 0.00 H new ATOM 0 HD2 TYR A 52 93.550 -2.316 -8.096 1.00 0.00 H new ATOM 0 HE1 TYR A 52 93.982 -2.196 -3.155 1.00 0.00 H new ATOM 0 HE2 TYR A 52 91.895 -3.500 -6.677 1.00 0.00 H new ATOM 0 HH TYR A 52 92.312 -3.786 -3.165 1.00 0.00 H new ATOM 761 N LYS A 53 98.645 -0.217 -8.452 1.00 0.00 N ATOM 762 CA LYS A 53 99.508 0.000 -9.650 1.00 0.00 C ATOM 763 C LYS A 53 100.726 -0.895 -9.526 1.00 0.00 C ATOM 764 O LYS A 53 101.032 -1.692 -10.391 1.00 0.00 O ATOM 765 CB LYS A 53 99.943 1.471 -9.609 1.00 0.00 C ATOM 766 CG LYS A 53 98.808 2.354 -9.096 1.00 0.00 C ATOM 767 CD LYS A 53 98.380 3.328 -10.194 1.00 0.00 C ATOM 768 CE LYS A 53 98.372 4.754 -9.638 1.00 0.00 C ATOM 769 NZ LYS A 53 99.409 5.476 -10.426 1.00 0.00 N ATOM 0 H LYS A 53 98.656 0.538 -7.766 1.00 0.00 H new ATOM 0 HA LYS A 53 98.989 -0.228 -10.581 1.00 0.00 H new ATOM 0 HB2 LYS A 53 100.815 1.580 -8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 53 100.241 1.795 -10.606 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.962 1.737 -8.793 1.00 0.00 H new ATOM 0 HG3 LYS A 53 99.133 2.905 -8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 53 99.063 3.261 -11.041 1.00 0.00 H new ATOM 0 HD3 LYS A 53 97.388 3.064 -10.562 1.00 0.00 H new ATOM 0 HE2 LYS A 53 97.393 5.218 -9.754 1.00 0.00 H new ATOM 0 HE3 LYS A 53 98.606 4.765 -8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 99.465 6.463 -10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 100.331 5.015 -10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 99.156 5.455 -11.435 1.00 0.00 H new ATOM 783 N GLN A 54 101.411 -0.771 -8.431 1.00 0.00 N ATOM 784 CA GLN A 54 102.610 -1.615 -8.203 1.00 0.00 C ATOM 785 C GLN A 54 102.255 -3.069 -8.501 1.00 0.00 C ATOM 786 O GLN A 54 103.060 -3.837 -8.988 1.00 0.00 O ATOM 787 CB GLN A 54 102.943 -1.438 -6.721 1.00 0.00 C ATOM 788 CG GLN A 54 103.793 -0.180 -6.529 1.00 0.00 C ATOM 789 CD GLN A 54 104.568 -0.286 -5.213 1.00 0.00 C ATOM 790 OE1 GLN A 54 104.844 -1.372 -4.745 1.00 0.00 O ATOM 791 NE2 GLN A 54 104.933 0.803 -4.593 1.00 0.00 N ATOM 0 H GLN A 54 101.192 -0.118 -7.679 1.00 0.00 H new ATOM 0 HA GLN A 54 103.452 -1.340 -8.838 1.00 0.00 H new ATOM 0 HB2 GLN A 54 102.025 -1.360 -6.139 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.481 -2.312 -6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 54 104.485 -0.065 -7.363 1.00 0.00 H new ATOM 0 HG3 GLN A 54 103.156 0.705 -6.519 1.00 0.00 H new ATOM 0 HE21 GLN A 54 104.701 1.715 -4.986 1.00 0.00 H new ATOM 0 HE22 GLN A 54 105.450 0.742 -3.716 1.00 0.00 H new ATOM 800 N ALA A 55 101.040 -3.443 -8.210 1.00 0.00 N ATOM 801 CA ALA A 55 100.600 -4.843 -8.472 1.00 0.00 C ATOM 802 C ALA A 55 100.633 -5.131 -9.975 1.00 0.00 C ATOM 803 O ALA A 55 101.030 -6.194 -10.405 1.00 0.00 O ATOM 804 CB ALA A 55 99.167 -4.912 -7.944 1.00 0.00 C ATOM 0 H ALA A 55 100.329 -2.837 -7.800 1.00 0.00 H new ATOM 0 HA ALA A 55 101.246 -5.578 -7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.770 -5.915 -8.100 1.00 0.00 H new ATOM 0 HB2 ALA A 55 99.160 -4.681 -6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.548 -4.190 -8.476 1.00 0.00 H new ATOM 810 N LYS A 56 100.215 -4.191 -10.778 1.00 0.00 N ATOM 811 CA LYS A 56 100.225 -4.415 -12.253 1.00 0.00 C ATOM 812 C LYS A 56 101.661 -4.606 -12.751 1.00 0.00 C ATOM 813 O LYS A 56 101.936 -5.457 -13.573 1.00 0.00 O ATOM 814 CB LYS A 56 99.616 -3.147 -12.850 1.00 0.00 C ATOM 815 CG LYS A 56 98.108 -3.133 -12.593 1.00 0.00 C ATOM 816 CD LYS A 56 97.390 -2.530 -13.800 1.00 0.00 C ATOM 817 CE LYS A 56 97.256 -1.017 -13.611 1.00 0.00 C ATOM 818 NZ LYS A 56 95.791 -0.774 -13.494 1.00 0.00 N ATOM 0 H LYS A 56 99.868 -3.280 -10.478 1.00 0.00 H new ATOM 0 HA LYS A 56 99.669 -5.308 -12.538 1.00 0.00 H new ATOM 0 HB2 LYS A 56 100.079 -2.265 -12.407 1.00 0.00 H new ATOM 0 HB3 LYS A 56 99.813 -3.106 -13.921 1.00 0.00 H new ATOM 0 HG2 LYS A 56 97.750 -4.147 -12.413 1.00 0.00 H new ATOM 0 HG3 LYS A 56 97.886 -2.552 -11.697 1.00 0.00 H new ATOM 0 HD2 LYS A 56 97.946 -2.745 -14.712 1.00 0.00 H new ATOM 0 HD3 LYS A 56 96.405 -2.982 -13.913 1.00 0.00 H new ATOM 0 HE2 LYS A 56 97.785 -0.682 -12.719 1.00 0.00 H new ATOM 0 HE3 LYS A 56 97.680 -0.474 -14.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 95.617 0.243 -13.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 95.315 -1.097 -14.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 95.416 -1.298 -12.678 1.00 0.00 H new ATOM 832 N LYS A 57 102.576 -3.813 -12.264 1.00 0.00 N ATOM 833 CA LYS A 57 103.989 -3.938 -12.710 1.00 0.00 C ATOM 834 C LYS A 57 104.552 -5.316 -12.347 1.00 0.00 C ATOM 835 O LYS A 57 105.398 -5.852 -13.036 1.00 0.00 O ATOM 836 CB LYS A 57 104.739 -2.839 -11.955 1.00 0.00 C ATOM 837 CG LYS A 57 104.678 -1.534 -12.752 1.00 0.00 C ATOM 838 CD LYS A 57 104.534 -0.355 -11.787 1.00 0.00 C ATOM 839 CE LYS A 57 105.902 -0.011 -11.194 1.00 0.00 C ATOM 840 NZ LYS A 57 105.779 1.402 -10.738 1.00 0.00 N ATOM 0 H LYS A 57 102.403 -3.082 -11.574 1.00 0.00 H new ATOM 0 HA LYS A 57 104.086 -3.836 -13.791 1.00 0.00 H new ATOM 0 HB2 LYS A 57 104.298 -2.695 -10.969 1.00 0.00 H new ATOM 0 HB3 LYS A 57 105.777 -3.134 -11.800 1.00 0.00 H new ATOM 0 HG2 LYS A 57 105.581 -1.419 -13.352 1.00 0.00 H new ATOM 0 HG3 LYS A 57 103.836 -1.557 -13.444 1.00 0.00 H new ATOM 0 HD2 LYS A 57 104.125 0.509 -12.310 1.00 0.00 H new ATOM 0 HD3 LYS A 57 103.833 -0.606 -10.991 1.00 0.00 H new ATOM 0 HE2 LYS A 57 106.151 -0.673 -10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 57 106.693 -0.119 -11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 106.679 1.711 -10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 105.548 2.010 -11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 105.023 1.473 -10.027 1.00 0.00 H new ATOM 854 N LEU A 58 104.099 -5.891 -11.266 1.00 0.00 N ATOM 855 CA LEU A 58 104.616 -7.227 -10.857 1.00 0.00 C ATOM 856 C LEU A 58 104.532 -8.214 -12.025 1.00 0.00 C ATOM 857 O LEU A 58 103.553 -8.257 -12.745 1.00 0.00 O ATOM 858 CB LEU A 58 103.705 -7.674 -9.713 1.00 0.00 C ATOM 859 CG LEU A 58 104.395 -7.405 -8.375 1.00 0.00 C ATOM 860 CD1 LEU A 58 103.339 -7.162 -7.295 1.00 0.00 C ATOM 861 CD2 LEU A 58 105.247 -8.618 -7.990 1.00 0.00 C ATOM 0 H LEU A 58 103.392 -5.492 -10.648 1.00 0.00 H new ATOM 0 HA LEU A 58 105.662 -7.185 -10.554 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.757 -7.139 -9.759 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.477 -8.735 -9.809 1.00 0.00 H new ATOM 0 HG LEU A 58 105.032 -6.525 -8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 58 103.831 -6.970 -6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 58 102.730 -6.300 -7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 58 102.702 -8.042 -7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 58 105.740 -8.429 -7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 58 104.609 -9.497 -7.900 1.00 0.00 H new ATOM 0 HD23 LEU A 58 105.999 -8.793 -8.759 1.00 0.00 H new ATOM 873 N ASP A 59 105.549 -9.010 -12.218 1.00 0.00 N ATOM 874 CA ASP A 59 105.522 -9.995 -13.339 1.00 0.00 C ATOM 875 C ASP A 59 104.267 -10.865 -13.245 1.00 0.00 C ATOM 876 O ASP A 59 103.418 -10.842 -14.113 1.00 0.00 O ATOM 877 CB ASP A 59 106.779 -10.845 -13.154 1.00 0.00 C ATOM 878 CG ASP A 59 107.177 -11.466 -14.494 1.00 0.00 C ATOM 879 OD1 ASP A 59 106.702 -10.987 -15.510 1.00 0.00 O ATOM 880 OD2 ASP A 59 107.951 -12.409 -14.481 1.00 0.00 O ATOM 0 H ASP A 59 106.396 -9.021 -11.650 1.00 0.00 H new ATOM 0 HA ASP A 59 105.501 -9.509 -14.315 1.00 0.00 H new ATOM 0 HB2 ASP A 59 107.593 -10.230 -12.770 1.00 0.00 H new ATOM 0 HB3 ASP A 59 106.596 -11.628 -12.418 1.00 0.00 H new ATOM 885 N SER A 60 104.145 -11.633 -12.195 1.00 0.00 N ATOM 886 CA SER A 60 102.947 -12.505 -12.040 1.00 0.00 C ATOM 887 C SER A 60 101.684 -11.747 -12.458 1.00 0.00 C ATOM 888 O SER A 60 100.890 -12.229 -13.241 1.00 0.00 O ATOM 889 CB SER A 60 102.899 -12.849 -10.552 1.00 0.00 C ATOM 890 OG SER A 60 103.688 -14.006 -10.311 1.00 0.00 O ATOM 0 H SER A 60 104.825 -11.693 -11.437 1.00 0.00 H new ATOM 0 HA SER A 60 103.001 -13.398 -12.663 1.00 0.00 H new ATOM 0 HB2 SER A 60 103.271 -12.012 -9.961 1.00 0.00 H new ATOM 0 HB3 SER A 60 101.869 -13.026 -10.241 1.00 0.00 H new ATOM 0 HG SER A 60 103.319 -14.501 -9.550 1.00 0.00 H new ATOM 896 N CYS A 61 101.496 -10.562 -11.946 1.00 0.00 N ATOM 897 CA CYS A 61 100.286 -9.773 -12.317 1.00 0.00 C ATOM 898 C CYS A 61 100.320 -9.427 -13.808 1.00 0.00 C ATOM 899 O CYS A 61 99.300 -9.366 -14.465 1.00 0.00 O ATOM 900 CB CYS A 61 100.369 -8.501 -11.472 1.00 0.00 C ATOM 901 SG CYS A 61 100.465 -8.946 -9.720 1.00 0.00 S ATOM 0 H CYS A 61 102.127 -10.106 -11.287 1.00 0.00 H new ATOM 0 HA CYS A 61 99.362 -10.323 -12.137 1.00 0.00 H new ATOM 0 HB2 CYS A 61 101.244 -7.918 -11.759 1.00 0.00 H new ATOM 0 HB3 CYS A 61 99.495 -7.874 -11.652 1.00 0.00 H new ATOM 906 N LYS A 62 101.487 -9.197 -14.344 1.00 0.00 N ATOM 907 CA LYS A 62 101.590 -8.850 -15.791 1.00 0.00 C ATOM 908 C LYS A 62 101.006 -9.971 -16.657 1.00 0.00 C ATOM 909 O LYS A 62 100.463 -9.727 -17.716 1.00 0.00 O ATOM 910 CB LYS A 62 103.088 -8.698 -16.056 1.00 0.00 C ATOM 911 CG LYS A 62 103.346 -7.376 -16.782 1.00 0.00 C ATOM 912 CD LYS A 62 104.805 -6.959 -16.586 1.00 0.00 C ATOM 913 CE LYS A 62 104.893 -5.433 -16.493 1.00 0.00 C ATOM 914 NZ LYS A 62 106.072 -5.063 -17.325 1.00 0.00 N ATOM 0 H LYS A 62 102.375 -9.234 -13.843 1.00 0.00 H new ATOM 0 HA LYS A 62 101.035 -7.944 -16.034 1.00 0.00 H new ATOM 0 HB2 LYS A 62 103.639 -8.722 -15.116 1.00 0.00 H new ATOM 0 HB3 LYS A 62 103.448 -9.532 -16.658 1.00 0.00 H new ATOM 0 HG2 LYS A 62 103.128 -7.484 -17.844 1.00 0.00 H new ATOM 0 HG3 LYS A 62 102.681 -6.602 -16.397 1.00 0.00 H new ATOM 0 HD2 LYS A 62 105.205 -7.413 -15.679 1.00 0.00 H new ATOM 0 HD3 LYS A 62 105.412 -7.319 -17.417 1.00 0.00 H new ATOM 0 HE2 LYS A 62 103.984 -4.962 -16.866 1.00 0.00 H new ATOM 0 HE3 LYS A 62 105.021 -5.107 -15.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 106.197 -4.031 -17.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 106.924 -5.520 -16.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 105.919 -5.379 -18.304 1.00 0.00 H new ATOM 928 N VAL A 63 101.120 -11.197 -16.224 1.00 0.00 N ATOM 929 CA VAL A 63 100.576 -12.324 -17.037 1.00 0.00 C ATOM 930 C VAL A 63 99.465 -13.055 -16.277 1.00 0.00 C ATOM 931 O VAL A 63 99.529 -14.250 -16.066 1.00 0.00 O ATOM 932 CB VAL A 63 101.765 -13.255 -17.270 1.00 0.00 C ATOM 933 CG1 VAL A 63 102.209 -13.860 -15.937 1.00 0.00 C ATOM 934 CG2 VAL A 63 101.350 -14.375 -18.227 1.00 0.00 C ATOM 0 H VAL A 63 101.564 -11.467 -15.346 1.00 0.00 H new ATOM 0 HA VAL A 63 100.137 -11.975 -17.972 1.00 0.00 H new ATOM 0 HB VAL A 63 102.591 -12.691 -17.704 1.00 0.00 H new ATOM 0 HG11 VAL A 63 103.057 -14.524 -16.103 1.00 0.00 H new ATOM 0 HG12 VAL A 63 102.501 -13.062 -15.255 1.00 0.00 H new ATOM 0 HG13 VAL A 63 101.385 -14.426 -15.502 1.00 0.00 H new ATOM 0 HG21 VAL A 63 102.196 -15.041 -18.396 1.00 0.00 H new ATOM 0 HG22 VAL A 63 100.525 -14.939 -17.791 1.00 0.00 H new ATOM 0 HG23 VAL A 63 101.033 -13.943 -19.176 1.00 0.00 H new ATOM 944 N LEU A 64 98.443 -12.351 -15.873 1.00 0.00 N ATOM 945 CA LEU A 64 97.327 -13.013 -15.139 1.00 0.00 C ATOM 946 C LEU A 64 95.994 -12.700 -15.822 1.00 0.00 C ATOM 947 O LEU A 64 95.413 -13.536 -16.484 1.00 0.00 O ATOM 948 CB LEU A 64 97.364 -12.420 -13.730 1.00 0.00 C ATOM 949 CG LEU A 64 98.263 -13.279 -12.840 1.00 0.00 C ATOM 950 CD1 LEU A 64 98.536 -12.542 -11.529 1.00 0.00 C ATOM 951 CD2 LEU A 64 97.560 -14.604 -12.540 1.00 0.00 C ATOM 0 H LEU A 64 98.332 -11.348 -16.019 1.00 0.00 H new ATOM 0 HA LEU A 64 97.430 -14.098 -15.121 1.00 0.00 H new ATOM 0 HB2 LEU A 64 97.738 -11.397 -13.764 1.00 0.00 H new ATOM 0 HB3 LEU A 64 96.357 -12.377 -13.315 1.00 0.00 H new ATOM 0 HG LEU A 64 99.206 -13.472 -13.352 1.00 0.00 H new ATOM 0 HD11 LEU A 64 99.177 -13.154 -10.894 1.00 0.00 H new ATOM 0 HD12 LEU A 64 99.033 -11.595 -11.741 1.00 0.00 H new ATOM 0 HD13 LEU A 64 97.593 -12.351 -11.016 1.00 0.00 H new ATOM 0 HD21 LEU A 64 98.198 -15.219 -11.906 1.00 0.00 H new ATOM 0 HD22 LEU A 64 96.619 -14.408 -12.027 1.00 0.00 H new ATOM 0 HD23 LEU A 64 97.362 -15.130 -13.474 1.00 0.00 H new ATOM 963 N VAL A 65 95.506 -11.500 -15.668 1.00 0.00 N ATOM 964 CA VAL A 65 94.220 -11.135 -16.308 1.00 0.00 C ATOM 965 C VAL A 65 94.140 -9.630 -16.506 1.00 0.00 C ATOM 966 O VAL A 65 93.078 -9.054 -16.634 1.00 0.00 O ATOM 967 CB VAL A 65 93.157 -11.602 -15.331 1.00 0.00 C ATOM 968 CG1 VAL A 65 91.783 -11.107 -15.785 1.00 0.00 C ATOM 969 CG2 VAL A 65 93.156 -13.131 -15.263 1.00 0.00 C ATOM 0 H VAL A 65 95.947 -10.758 -15.124 1.00 0.00 H new ATOM 0 HA VAL A 65 94.101 -11.589 -17.292 1.00 0.00 H new ATOM 0 HB VAL A 65 93.376 -11.197 -14.343 1.00 0.00 H new ATOM 0 HG11 VAL A 65 91.023 -11.445 -15.080 1.00 0.00 H new ATOM 0 HG12 VAL A 65 91.783 -10.018 -15.824 1.00 0.00 H new ATOM 0 HG13 VAL A 65 91.562 -11.505 -16.775 1.00 0.00 H new ATOM 0 HG21 VAL A 65 92.392 -13.463 -14.561 1.00 0.00 H new ATOM 0 HG22 VAL A 65 92.943 -13.539 -16.251 1.00 0.00 H new ATOM 0 HG23 VAL A 65 94.133 -13.481 -14.929 1.00 0.00 H new ATOM 979 N ASP A 66 95.270 -9.010 -16.534 1.00 0.00 N ATOM 980 CA ASP A 66 95.337 -7.530 -16.724 1.00 0.00 C ATOM 981 C ASP A 66 94.157 -6.848 -16.028 1.00 0.00 C ATOM 982 O ASP A 66 93.457 -6.043 -16.610 1.00 0.00 O ATOM 983 CB ASP A 66 95.266 -7.320 -18.237 1.00 0.00 C ATOM 984 CG ASP A 66 96.682 -7.181 -18.801 1.00 0.00 C ATOM 985 OD1 ASP A 66 97.525 -6.637 -18.107 1.00 0.00 O ATOM 986 OD2 ASP A 66 96.899 -7.622 -19.918 1.00 0.00 O ATOM 0 H ASP A 66 96.176 -9.467 -16.432 1.00 0.00 H new ATOM 0 HA ASP A 66 96.243 -7.101 -16.296 1.00 0.00 H new ATOM 0 HB2 ASP A 66 94.757 -8.161 -18.708 1.00 0.00 H new ATOM 0 HB3 ASP A 66 94.684 -6.427 -18.464 1.00 0.00 H new ATOM 991 N ASN A 67 93.934 -7.168 -14.785 1.00 0.00 N ATOM 992 CA ASN A 67 92.799 -6.546 -14.044 1.00 0.00 C ATOM 993 C ASN A 67 92.836 -6.966 -12.572 1.00 0.00 C ATOM 994 O ASN A 67 92.453 -8.067 -12.230 1.00 0.00 O ATOM 995 CB ASN A 67 91.540 -7.085 -14.723 1.00 0.00 C ATOM 996 CG ASN A 67 90.313 -6.346 -14.185 1.00 0.00 C ATOM 997 OD1 ASN A 67 89.661 -6.812 -13.272 1.00 0.00 O ATOM 998 ND2 ASN A 67 89.969 -5.204 -14.716 1.00 0.00 N ATOM 0 H ASN A 67 94.489 -7.834 -14.248 1.00 0.00 H new ATOM 0 HA ASN A 67 92.839 -5.457 -14.065 1.00 0.00 H new ATOM 0 HB2 ASN A 67 91.612 -6.954 -15.803 1.00 0.00 H new ATOM 0 HB3 ASN A 67 91.444 -8.155 -14.537 1.00 0.00 H new ATOM 0 HD21 ASN A 67 89.153 -4.703 -14.364 1.00 0.00 H new ATOM 0 HD22 ASN A 67 90.516 -4.813 -15.483 1.00 0.00 H new ATOM 1005 N PRO A 68 93.300 -6.066 -11.749 1.00 0.00 N ATOM 1006 CA PRO A 68 93.393 -6.338 -10.295 1.00 0.00 C ATOM 1007 C PRO A 68 92.018 -6.204 -9.624 1.00 0.00 C ATOM 1008 O PRO A 68 91.909 -6.205 -8.415 1.00 0.00 O ATOM 1009 CB PRO A 68 94.344 -5.257 -9.793 1.00 0.00 C ATOM 1010 CG PRO A 68 94.231 -4.136 -10.782 1.00 0.00 C ATOM 1011 CD PRO A 68 93.781 -4.726 -12.096 1.00 0.00 C ATOM 0 HA PRO A 68 93.738 -7.348 -10.073 1.00 0.00 H new ATOM 0 HB2 PRO A 68 94.069 -4.926 -8.791 1.00 0.00 H new ATOM 0 HB3 PRO A 68 95.367 -5.629 -9.736 1.00 0.00 H new ATOM 0 HG2 PRO A 68 93.517 -3.389 -10.434 1.00 0.00 H new ATOM 0 HG3 PRO A 68 95.190 -3.631 -10.898 1.00 0.00 H new ATOM 0 HD2 PRO A 68 92.993 -4.127 -12.551 1.00 0.00 H new ATOM 0 HD3 PRO A 68 94.601 -4.772 -12.813 1.00 0.00 H new ATOM 1019 N TYR A 69 90.971 -6.084 -10.396 1.00 0.00 N ATOM 1020 CA TYR A 69 89.613 -5.946 -9.794 1.00 0.00 C ATOM 1021 C TYR A 69 88.929 -7.314 -9.696 1.00 0.00 C ATOM 1022 O TYR A 69 88.633 -7.795 -8.620 1.00 0.00 O ATOM 1023 CB TYR A 69 88.850 -5.036 -10.755 1.00 0.00 C ATOM 1024 CG TYR A 69 88.810 -3.620 -10.192 1.00 0.00 C ATOM 1025 CD1 TYR A 69 88.267 -3.387 -8.923 1.00 0.00 C ATOM 1026 CD2 TYR A 69 89.316 -2.553 -10.944 1.00 0.00 C ATOM 1027 CE1 TYR A 69 88.230 -2.087 -8.406 1.00 0.00 C ATOM 1028 CE2 TYR A 69 89.279 -1.253 -10.427 1.00 0.00 C ATOM 1029 CZ TYR A 69 88.736 -1.020 -9.158 1.00 0.00 C ATOM 1030 OH TYR A 69 88.700 0.262 -8.648 1.00 0.00 O ATOM 0 H TYR A 69 90.997 -6.076 -11.416 1.00 0.00 H new ATOM 0 HA TYR A 69 89.650 -5.540 -8.783 1.00 0.00 H new ATOM 0 HB2 TYR A 69 89.332 -5.036 -11.733 1.00 0.00 H new ATOM 0 HB3 TYR A 69 87.836 -5.410 -10.899 1.00 0.00 H new ATOM 0 HD1 TYR A 69 87.877 -4.210 -8.343 1.00 0.00 H new ATOM 0 HD2 TYR A 69 89.735 -2.733 -11.923 1.00 0.00 H new ATOM 0 HE1 TYR A 69 87.811 -1.907 -7.427 1.00 0.00 H new ATOM 0 HE2 TYR A 69 89.669 -0.430 -11.007 1.00 0.00 H new ATOM 0 HH TYR A 69 89.092 0.883 -9.297 1.00 0.00 H new ATOM 1040 N THR A 70 88.672 -7.939 -10.812 1.00 0.00 N ATOM 1041 CA THR A 70 88.004 -9.268 -10.789 1.00 0.00 C ATOM 1042 C THR A 70 88.782 -10.238 -9.899 1.00 0.00 C ATOM 1043 O THR A 70 88.267 -11.249 -9.464 1.00 0.00 O ATOM 1044 CB THR A 70 88.019 -9.742 -12.244 1.00 0.00 C ATOM 1045 OG1 THR A 70 87.234 -10.921 -12.364 1.00 0.00 O ATOM 1046 CG2 THR A 70 89.458 -10.038 -12.673 1.00 0.00 C ATOM 0 H THR A 70 88.897 -7.584 -11.741 1.00 0.00 H new ATOM 0 HA THR A 70 86.992 -9.215 -10.387 1.00 0.00 H new ATOM 0 HB THR A 70 87.606 -8.963 -12.884 1.00 0.00 H new ATOM 0 HG1 THR A 70 87.241 -11.225 -13.296 1.00 0.00 H new ATOM 0 HG21 THR A 70 89.467 -10.375 -13.709 1.00 0.00 H new ATOM 0 HG22 THR A 70 90.059 -9.133 -12.581 1.00 0.00 H new ATOM 0 HG23 THR A 70 89.875 -10.817 -12.034 1.00 0.00 H new ATOM 1054 N ASN A 71 90.022 -9.939 -9.628 1.00 0.00 N ATOM 1055 CA ASN A 71 90.838 -10.845 -8.768 1.00 0.00 C ATOM 1056 C ASN A 71 90.370 -10.765 -7.312 1.00 0.00 C ATOM 1057 O ASN A 71 90.763 -9.887 -6.570 1.00 0.00 O ATOM 1058 CB ASN A 71 92.272 -10.331 -8.897 1.00 0.00 C ATOM 1059 CG ASN A 71 93.236 -11.347 -8.282 1.00 0.00 C ATOM 1060 OD1 ASN A 71 93.063 -12.539 -8.441 1.00 0.00 O ATOM 1061 ND2 ASN A 71 94.252 -10.923 -7.582 1.00 0.00 N ATOM 0 H ASN A 71 90.507 -9.107 -9.964 1.00 0.00 H new ATOM 0 HA ASN A 71 90.748 -11.888 -9.072 1.00 0.00 H new ATOM 0 HB2 ASN A 71 92.518 -10.169 -9.946 1.00 0.00 H new ATOM 0 HB3 ASN A 71 92.371 -9.369 -8.394 1.00 0.00 H new ATOM 0 HD21 ASN A 71 94.901 -11.592 -7.168 1.00 0.00 H new ATOM 0 HD22 ASN A 71 94.397 -9.922 -7.449 1.00 0.00 H new ATOM 1068 N ASN A 72 89.536 -11.680 -6.896 1.00 0.00 N ATOM 1069 CA ASN A 72 89.048 -11.659 -5.487 1.00 0.00 C ATOM 1070 C ASN A 72 89.919 -12.570 -4.618 1.00 0.00 C ATOM 1071 O ASN A 72 90.180 -13.706 -4.960 1.00 0.00 O ATOM 1072 CB ASN A 72 87.616 -12.188 -5.552 1.00 0.00 C ATOM 1073 CG ASN A 72 86.811 -11.360 -6.555 1.00 0.00 C ATOM 1074 OD1 ASN A 72 87.336 -10.455 -7.173 1.00 0.00 O ATOM 1075 ND2 ASN A 72 85.549 -11.633 -6.745 1.00 0.00 N ATOM 0 H ASN A 72 89.172 -12.440 -7.470 1.00 0.00 H new ATOM 0 HA ASN A 72 89.091 -10.662 -5.049 1.00 0.00 H new ATOM 0 HB2 ASN A 72 87.618 -13.237 -5.849 1.00 0.00 H new ATOM 0 HB3 ASN A 72 87.153 -12.136 -4.567 1.00 0.00 H new ATOM 0 HD21 ASN A 72 85.004 -11.087 -7.412 1.00 0.00 H new ATOM 0 HD22 ASN A 72 85.108 -12.393 -6.227 1.00 0.00 H new ATOM 1082 N TYR A 73 90.375 -12.080 -3.497 1.00 0.00 N ATOM 1083 CA TYR A 73 91.232 -12.918 -2.611 1.00 0.00 C ATOM 1084 C TYR A 73 90.463 -13.317 -1.348 1.00 0.00 C ATOM 1085 O TYR A 73 89.529 -12.654 -0.942 1.00 0.00 O ATOM 1086 CB TYR A 73 92.422 -12.025 -2.257 1.00 0.00 C ATOM 1087 CG TYR A 73 91.926 -10.787 -1.549 1.00 0.00 C ATOM 1088 CD1 TYR A 73 91.685 -10.820 -0.170 1.00 0.00 C ATOM 1089 CD2 TYR A 73 91.706 -9.607 -2.270 1.00 0.00 C ATOM 1090 CE1 TYR A 73 91.223 -9.674 0.487 1.00 0.00 C ATOM 1091 CE2 TYR A 73 91.244 -8.461 -1.612 1.00 0.00 C ATOM 1092 CZ TYR A 73 91.003 -8.495 -0.234 1.00 0.00 C ATOM 1093 OH TYR A 73 90.548 -7.365 0.414 1.00 0.00 O ATOM 0 H TYR A 73 90.191 -11.136 -3.157 1.00 0.00 H new ATOM 0 HA TYR A 73 91.545 -13.844 -3.094 1.00 0.00 H new ATOM 0 HB2 TYR A 73 93.121 -12.567 -1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 73 92.965 -11.748 -3.161 1.00 0.00 H new ATOM 0 HD1 TYR A 73 91.856 -11.730 0.386 1.00 0.00 H new ATOM 0 HD2 TYR A 73 91.893 -9.581 -3.333 1.00 0.00 H new ATOM 0 HE1 TYR A 73 91.036 -9.699 1.550 1.00 0.00 H new ATOM 0 HE2 TYR A 73 91.074 -7.551 -2.168 1.00 0.00 H new ATOM 0 HH TYR A 73 90.814 -6.569 -0.091 1.00 0.00 H new ATOM 1103 N SER A 74 90.850 -14.395 -0.722 1.00 0.00 N ATOM 1104 CA SER A 74 90.142 -14.834 0.516 1.00 0.00 C ATOM 1105 C SER A 74 90.887 -14.333 1.755 1.00 0.00 C ATOM 1106 O SER A 74 92.101 -14.319 1.795 1.00 0.00 O ATOM 1107 CB SER A 74 90.163 -16.361 0.463 1.00 0.00 C ATOM 1108 OG SER A 74 88.835 -16.844 0.307 1.00 0.00 O ATOM 0 H SER A 74 91.625 -14.991 -1.013 1.00 0.00 H new ATOM 0 HA SER A 74 89.127 -14.441 0.573 1.00 0.00 H new ATOM 0 HB2 SER A 74 90.785 -16.699 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 74 90.603 -16.762 1.376 1.00 0.00 H new ATOM 0 HG SER A 74 88.845 -17.823 0.271 1.00 0.00 H new ATOM 1114 N TYR A 75 90.173 -13.920 2.766 1.00 0.00 N ATOM 1115 CA TYR A 75 90.852 -13.421 3.996 1.00 0.00 C ATOM 1116 C TYR A 75 89.986 -13.675 5.233 1.00 0.00 C ATOM 1117 O TYR A 75 88.984 -14.361 5.178 1.00 0.00 O ATOM 1118 CB TYR A 75 91.034 -11.919 3.767 1.00 0.00 C ATOM 1119 CG TYR A 75 89.701 -11.203 3.955 1.00 0.00 C ATOM 1120 CD1 TYR A 75 88.644 -11.445 3.069 1.00 0.00 C ATOM 1121 CD2 TYR A 75 89.533 -10.303 5.015 1.00 0.00 C ATOM 1122 CE1 TYR A 75 87.420 -10.787 3.243 1.00 0.00 C ATOM 1123 CE2 TYR A 75 88.309 -9.645 5.188 1.00 0.00 C ATOM 1124 CZ TYR A 75 87.252 -9.887 4.302 1.00 0.00 C ATOM 1125 OH TYR A 75 86.045 -9.238 4.472 1.00 0.00 O ATOM 0 H TYR A 75 89.153 -13.906 2.794 1.00 0.00 H new ATOM 0 HA TYR A 75 91.801 -13.927 4.172 1.00 0.00 H new ATOM 0 HB2 TYR A 75 91.772 -11.522 4.464 1.00 0.00 H new ATOM 0 HB3 TYR A 75 91.416 -11.739 2.762 1.00 0.00 H new ATOM 0 HD1 TYR A 75 88.773 -12.139 2.252 1.00 0.00 H new ATOM 0 HD2 TYR A 75 90.348 -10.116 5.699 1.00 0.00 H new ATOM 0 HE1 TYR A 75 86.605 -10.974 2.560 1.00 0.00 H new ATOM 0 HE2 TYR A 75 88.180 -8.951 6.005 1.00 0.00 H new ATOM 0 HH TYR A 75 85.750 -9.334 5.402 1.00 0.00 H new ATOM 1135 N SER A 76 90.372 -13.121 6.348 1.00 0.00 N ATOM 1136 CA SER A 76 89.588 -13.316 7.599 1.00 0.00 C ATOM 1137 C SER A 76 89.996 -12.263 8.633 1.00 0.00 C ATOM 1138 O SER A 76 90.992 -11.588 8.480 1.00 0.00 O ATOM 1139 CB SER A 76 89.960 -14.716 8.085 1.00 0.00 C ATOM 1140 OG SER A 76 88.845 -15.582 7.921 1.00 0.00 O ATOM 0 H SER A 76 91.203 -12.537 6.447 1.00 0.00 H new ATOM 0 HA SER A 76 88.514 -13.215 7.440 1.00 0.00 H new ATOM 0 HB2 SER A 76 90.814 -15.094 7.523 1.00 0.00 H new ATOM 0 HB3 SER A 76 90.258 -14.682 9.133 1.00 0.00 H new ATOM 0 HG SER A 76 88.499 -15.501 7.008 1.00 0.00 H new ATOM 1146 N CYS A 77 89.241 -12.117 9.685 1.00 0.00 N ATOM 1147 CA CYS A 77 89.605 -11.108 10.719 1.00 0.00 C ATOM 1148 C CYS A 77 89.806 -11.791 12.066 1.00 0.00 C ATOM 1149 O CYS A 77 89.427 -12.928 12.267 1.00 0.00 O ATOM 1150 CB CYS A 77 88.424 -10.143 10.779 1.00 0.00 C ATOM 1151 SG CYS A 77 88.614 -8.996 12.167 1.00 0.00 S ATOM 0 H CYS A 77 88.392 -12.649 9.874 1.00 0.00 H new ATOM 0 HA CYS A 77 90.534 -10.591 10.479 1.00 0.00 H new ATOM 0 HB2 CYS A 77 88.355 -9.585 9.845 1.00 0.00 H new ATOM 0 HB3 CYS A 77 87.495 -10.702 10.886 1.00 0.00 H new ATOM 1156 N SER A 78 90.401 -11.097 12.986 1.00 0.00 N ATOM 1157 CA SER A 78 90.645 -11.682 14.340 1.00 0.00 C ATOM 1158 C SER A 78 91.637 -10.815 15.119 1.00 0.00 C ATOM 1159 O SER A 78 92.537 -10.227 14.555 1.00 0.00 O ATOM 1160 CB SER A 78 91.239 -13.068 14.083 1.00 0.00 C ATOM 1161 OG SER A 78 92.047 -13.024 12.914 1.00 0.00 O ATOM 0 H SER A 78 90.734 -10.141 12.864 1.00 0.00 H new ATOM 0 HA SER A 78 89.731 -11.736 14.931 1.00 0.00 H new ATOM 0 HB2 SER A 78 91.835 -13.385 14.939 1.00 0.00 H new ATOM 0 HB3 SER A 78 90.442 -13.801 13.960 1.00 0.00 H new ATOM 0 HG SER A 78 92.430 -13.910 12.748 1.00 0.00 H new ATOM 1167 N ASN A 79 91.480 -10.736 16.414 1.00 0.00 N ATOM 1168 CA ASN A 79 92.414 -9.910 17.236 1.00 0.00 C ATOM 1169 C ASN A 79 92.746 -8.600 16.518 1.00 0.00 C ATOM 1170 O ASN A 79 93.896 -8.247 16.347 1.00 0.00 O ATOM 1171 CB ASN A 79 93.669 -10.768 17.396 1.00 0.00 C ATOM 1172 CG ASN A 79 93.386 -11.908 18.376 1.00 0.00 C ATOM 1173 OD1 ASN A 79 93.815 -11.869 19.512 1.00 0.00 O ATOM 1174 ND2 ASN A 79 92.676 -12.929 17.981 1.00 0.00 N ATOM 0 H ASN A 79 90.744 -11.208 16.939 1.00 0.00 H new ATOM 0 HA ASN A 79 91.980 -9.638 18.198 1.00 0.00 H new ATOM 0 HB2 ASN A 79 93.972 -11.172 16.430 1.00 0.00 H new ATOM 0 HB3 ASN A 79 94.496 -10.158 17.760 1.00 0.00 H new ATOM 0 HD21 ASN A 79 92.481 -13.695 18.626 1.00 0.00 H new ATOM 0 HD22 ASN A 79 92.316 -12.961 17.027 1.00 0.00 H new ATOM 1181 N ASN A 80 91.747 -7.877 16.099 1.00 0.00 N ATOM 1182 CA ASN A 80 91.990 -6.598 15.397 1.00 0.00 C ATOM 1183 C ASN A 80 93.104 -6.777 14.379 1.00 0.00 C ATOM 1184 O ASN A 80 93.950 -5.925 14.194 1.00 0.00 O ATOM 1185 CB ASN A 80 92.387 -5.617 16.492 1.00 0.00 C ATOM 1186 CG ASN A 80 91.472 -5.776 17.680 1.00 0.00 C ATOM 1187 OD1 ASN A 80 91.900 -5.690 18.814 1.00 0.00 O ATOM 1188 ND2 ASN A 80 90.226 -6.004 17.473 1.00 0.00 N ATOM 0 H ASN A 80 90.764 -8.124 16.216 1.00 0.00 H new ATOM 0 HA ASN A 80 91.119 -6.243 14.847 1.00 0.00 H new ATOM 0 HB2 ASN A 80 93.420 -5.792 16.792 1.00 0.00 H new ATOM 0 HB3 ASN A 80 92.333 -4.596 16.115 1.00 0.00 H new ATOM 0 HD21 ASN A 80 89.590 -6.114 18.263 1.00 0.00 H new ATOM 0 HD22 ASN A 80 89.872 -6.075 16.519 1.00 0.00 H new ATOM 1195 N GLU A 81 93.094 -7.890 13.714 1.00 0.00 N ATOM 1196 CA GLU A 81 94.129 -8.165 12.692 1.00 0.00 C ATOM 1197 C GLU A 81 93.488 -8.725 11.425 1.00 0.00 C ATOM 1198 O GLU A 81 92.402 -9.265 11.452 1.00 0.00 O ATOM 1199 CB GLU A 81 95.064 -9.191 13.323 1.00 0.00 C ATOM 1200 CG GLU A 81 95.964 -8.487 14.333 1.00 0.00 C ATOM 1201 CD GLU A 81 97.425 -8.855 14.069 1.00 0.00 C ATOM 1202 OE1 GLU A 81 97.735 -9.193 12.938 1.00 0.00 O ATOM 1203 OE2 GLU A 81 98.209 -8.792 15.001 1.00 0.00 O ATOM 0 H GLU A 81 92.403 -8.631 13.837 1.00 0.00 H new ATOM 0 HA GLU A 81 94.665 -7.261 12.402 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.487 -9.974 13.815 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.667 -9.674 12.554 1.00 0.00 H new ATOM 0 HG2 GLU A 81 95.832 -7.407 14.261 1.00 0.00 H new ATOM 0 HG3 GLU A 81 95.684 -8.775 15.346 1.00 0.00 H new ATOM 1210 N ILE A 82 94.153 -8.595 10.315 1.00 0.00 N ATOM 1211 CA ILE A 82 93.577 -9.113 9.042 1.00 0.00 C ATOM 1212 C ILE A 82 94.232 -10.443 8.659 1.00 0.00 C ATOM 1213 O ILE A 82 95.435 -10.599 8.720 1.00 0.00 O ATOM 1214 CB ILE A 82 93.882 -8.032 8.001 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.883 -6.884 8.158 1.00 0.00 C ATOM 1216 CG2 ILE A 82 93.760 -8.619 6.593 1.00 0.00 C ATOM 1217 CD1 ILE A 82 93.635 -5.555 8.243 1.00 0.00 C ATOM 0 H ILE A 82 95.069 -8.154 10.231 1.00 0.00 H new ATOM 0 HA ILE A 82 92.508 -9.308 9.122 1.00 0.00 H new ATOM 0 HB ILE A 82 94.897 -7.663 8.151 1.00 0.00 H new ATOM 0 HG12 ILE A 82 92.195 -6.870 7.313 1.00 0.00 H new ATOM 0 HG13 ILE A 82 92.283 -7.031 9.056 1.00 0.00 H new ATOM 0 HG21 ILE A 82 93.978 -7.846 5.856 1.00 0.00 H new ATOM 0 HG22 ILE A 82 94.468 -9.440 6.478 1.00 0.00 H new ATOM 0 HG23 ILE A 82 92.747 -8.990 6.440 1.00 0.00 H new ATOM 0 HD11 ILE A 82 92.921 -4.739 8.355 1.00 0.00 H new ATOM 0 HD12 ILE A 82 94.305 -5.571 9.102 1.00 0.00 H new ATOM 0 HD13 ILE A 82 94.216 -5.407 7.333 1.00 0.00 H new ATOM 1229 N THR A 83 93.440 -11.399 8.261 1.00 0.00 N ATOM 1230 CA THR A 83 93.995 -12.724 7.867 1.00 0.00 C ATOM 1231 C THR A 83 93.802 -12.938 6.362 1.00 0.00 C ATOM 1232 O THR A 83 92.714 -12.806 5.842 1.00 0.00 O ATOM 1233 CB THR A 83 93.183 -13.741 8.680 1.00 0.00 C ATOM 1234 OG1 THR A 83 93.758 -13.872 9.973 1.00 0.00 O ATOM 1235 CG2 THR A 83 93.187 -15.104 7.982 1.00 0.00 C ATOM 0 H THR A 83 92.426 -11.319 8.191 1.00 0.00 H new ATOM 0 HA THR A 83 95.064 -12.815 8.062 1.00 0.00 H new ATOM 0 HB THR A 83 92.154 -13.390 8.763 1.00 0.00 H new ATOM 0 HG1 THR A 83 93.241 -14.520 10.497 1.00 0.00 H new ATOM 0 HG21 THR A 83 92.607 -15.816 8.570 1.00 0.00 H new ATOM 0 HG22 THR A 83 92.744 -15.006 6.991 1.00 0.00 H new ATOM 0 HG23 THR A 83 94.212 -15.462 7.888 1.00 0.00 H new ATOM 1243 N CYS A 84 94.850 -13.265 5.658 1.00 0.00 N ATOM 1244 CA CYS A 84 94.715 -13.483 4.190 1.00 0.00 C ATOM 1245 C CYS A 84 95.223 -14.877 3.813 1.00 0.00 C ATOM 1246 O CYS A 84 96.284 -15.295 4.230 1.00 0.00 O ATOM 1247 CB CYS A 84 95.582 -12.402 3.547 1.00 0.00 C ATOM 1248 SG CYS A 84 94.532 -11.286 2.584 1.00 0.00 S ATOM 0 H CYS A 84 95.790 -13.390 6.033 1.00 0.00 H new ATOM 0 HA CYS A 84 93.679 -13.424 3.857 1.00 0.00 H new ATOM 0 HB2 CYS A 84 96.117 -11.844 4.316 1.00 0.00 H new ATOM 0 HB3 CYS A 84 96.334 -12.858 2.903 1.00 0.00 H new ATOM 1253 N SER A 85 94.471 -15.598 3.029 1.00 0.00 N ATOM 1254 CA SER A 85 94.910 -16.963 2.626 1.00 0.00 C ATOM 1255 C SER A 85 96.353 -16.924 2.118 1.00 0.00 C ATOM 1256 O SER A 85 96.652 -16.306 1.116 1.00 0.00 O ATOM 1257 CB SER A 85 93.958 -17.371 1.504 1.00 0.00 C ATOM 1258 OG SER A 85 93.351 -16.207 0.958 1.00 0.00 O ATOM 0 H SER A 85 93.572 -15.301 2.650 1.00 0.00 H new ATOM 0 HA SER A 85 94.884 -17.668 3.457 1.00 0.00 H new ATOM 0 HB2 SER A 85 94.502 -17.910 0.728 1.00 0.00 H new ATOM 0 HB3 SER A 85 93.194 -18.048 1.887 1.00 0.00 H new ATOM 0 HG SER A 85 92.514 -16.021 1.433 1.00 0.00 H new ATOM 1264 N SER A 86 97.250 -17.578 2.802 1.00 0.00 N ATOM 1265 CA SER A 86 98.673 -17.576 2.358 1.00 0.00 C ATOM 1266 C SER A 86 98.787 -18.179 0.957 1.00 0.00 C ATOM 1267 O SER A 86 99.712 -17.897 0.221 1.00 0.00 O ATOM 1268 CB SER A 86 99.409 -18.441 3.379 1.00 0.00 C ATOM 1269 OG SER A 86 98.527 -19.443 3.867 1.00 0.00 O ATOM 0 H SER A 86 97.060 -18.114 3.649 1.00 0.00 H new ATOM 0 HA SER A 86 99.089 -16.570 2.305 1.00 0.00 H new ATOM 0 HB2 SER A 86 100.283 -18.902 2.920 1.00 0.00 H new ATOM 0 HB3 SER A 86 99.769 -17.825 4.203 1.00 0.00 H new ATOM 0 HG SER A 86 98.175 -19.172 4.741 1.00 0.00 H new ATOM 1275 N GLU A 87 97.851 -19.005 0.581 1.00 0.00 N ATOM 1276 CA GLU A 87 97.903 -19.622 -0.774 1.00 0.00 C ATOM 1277 C GLU A 87 97.963 -18.530 -1.843 1.00 0.00 C ATOM 1278 O GLU A 87 98.431 -18.747 -2.943 1.00 0.00 O ATOM 1279 CB GLU A 87 96.603 -20.418 -0.892 1.00 0.00 C ATOM 1280 CG GLU A 87 96.810 -21.825 -0.331 1.00 0.00 C ATOM 1281 CD GLU A 87 95.728 -22.757 -0.880 1.00 0.00 C ATOM 1282 OE1 GLU A 87 94.652 -22.785 -0.307 1.00 0.00 O ATOM 1283 OE2 GLU A 87 95.994 -23.424 -1.866 1.00 0.00 O ATOM 0 H GLU A 87 97.052 -19.280 1.153 1.00 0.00 H new ATOM 0 HA GLU A 87 98.781 -20.253 -0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 87 95.805 -19.913 -0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 87 96.292 -20.474 -1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 87 97.798 -22.196 -0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 87 96.768 -21.804 0.758 1.00 0.00 H new ATOM 1290 N ASN A 88 97.490 -17.356 -1.526 1.00 0.00 N ATOM 1291 CA ASN A 88 97.515 -16.246 -2.518 1.00 0.00 C ATOM 1292 C ASN A 88 98.894 -16.155 -3.175 1.00 0.00 C ATOM 1293 O ASN A 88 99.890 -15.931 -2.516 1.00 0.00 O ATOM 1294 CB ASN A 88 97.224 -14.983 -1.705 1.00 0.00 C ATOM 1295 CG ASN A 88 95.798 -15.046 -1.157 1.00 0.00 C ATOM 1296 OD1 ASN A 88 94.932 -15.656 -1.752 1.00 0.00 O ATOM 1297 ND2 ASN A 88 95.515 -14.436 -0.039 1.00 0.00 N ATOM 0 H ASN A 88 97.086 -17.118 -0.620 1.00 0.00 H new ATOM 0 HA ASN A 88 96.791 -16.391 -3.320 1.00 0.00 H new ATOM 0 HB2 ASN A 88 97.936 -14.894 -0.885 1.00 0.00 H new ATOM 0 HB3 ASN A 88 97.346 -14.099 -2.331 1.00 0.00 H new ATOM 0 HD21 ASN A 88 94.567 -14.471 0.335 1.00 0.00 H new ATOM 0 HD22 ASN A 88 96.242 -13.924 0.461 1.00 0.00 H new ATOM 1304 N ASN A 89 98.964 -16.328 -4.467 1.00 0.00 N ATOM 1305 CA ASN A 89 100.286 -16.251 -5.151 1.00 0.00 C ATOM 1306 C ASN A 89 100.870 -14.843 -5.015 1.00 0.00 C ATOM 1307 O ASN A 89 100.332 -13.999 -4.325 1.00 0.00 O ATOM 1308 CB ASN A 89 100.003 -16.577 -6.619 1.00 0.00 C ATOM 1309 CG ASN A 89 98.967 -15.599 -7.176 1.00 0.00 C ATOM 1310 OD1 ASN A 89 98.849 -14.488 -6.702 1.00 0.00 O ATOM 1311 ND2 ASN A 89 98.208 -15.968 -8.172 1.00 0.00 N ATOM 0 H ASN A 89 98.168 -16.518 -5.075 1.00 0.00 H new ATOM 0 HA ASN A 89 101.012 -16.940 -4.718 1.00 0.00 H new ATOM 0 HB2 ASN A 89 100.924 -16.515 -7.199 1.00 0.00 H new ATOM 0 HB3 ASN A 89 99.637 -17.600 -6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 89 97.516 -15.323 -8.552 1.00 0.00 H new ATOM 0 HD22 ASN A 89 98.307 -16.902 -8.570 1.00 0.00 H new ATOM 1318 N ALA A 90 101.972 -14.589 -5.663 1.00 0.00 N ATOM 1319 CA ALA A 90 102.603 -13.243 -5.572 1.00 0.00 C ATOM 1320 C ALA A 90 101.563 -12.139 -5.787 1.00 0.00 C ATOM 1321 O ALA A 90 101.416 -11.245 -4.978 1.00 0.00 O ATOM 1322 CB ALA A 90 103.644 -13.223 -6.692 1.00 0.00 C ATOM 0 H ALA A 90 102.465 -15.258 -6.254 1.00 0.00 H new ATOM 0 HA ALA A 90 103.046 -13.065 -4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 90 104.157 -12.261 -6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 90 104.369 -14.021 -6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 90 103.149 -13.373 -7.652 1.00 0.00 H new ATOM 1328 N CYS A 91 100.850 -12.188 -6.879 1.00 0.00 N ATOM 1329 CA CYS A 91 99.829 -11.134 -7.157 1.00 0.00 C ATOM 1330 C CYS A 91 98.702 -11.175 -6.118 1.00 0.00 C ATOM 1331 O CYS A 91 98.316 -10.162 -5.569 1.00 0.00 O ATOM 1332 CB CYS A 91 99.287 -11.472 -8.546 1.00 0.00 C ATOM 1333 SG CYS A 91 98.750 -9.953 -9.369 1.00 0.00 S ATOM 0 H CYS A 91 100.929 -12.913 -7.592 1.00 0.00 H new ATOM 0 HA CYS A 91 100.255 -10.132 -7.110 1.00 0.00 H new ATOM 0 HB2 CYS A 91 100.057 -11.967 -9.138 1.00 0.00 H new ATOM 0 HB3 CYS A 91 98.452 -12.168 -8.463 1.00 0.00 H new ATOM 1338 N GLU A 92 98.166 -12.333 -5.851 1.00 0.00 N ATOM 1339 CA GLU A 92 97.059 -12.432 -4.856 1.00 0.00 C ATOM 1340 C GLU A 92 97.524 -11.931 -3.489 1.00 0.00 C ATOM 1341 O GLU A 92 96.774 -11.320 -2.753 1.00 0.00 O ATOM 1342 CB GLU A 92 96.713 -13.920 -4.795 1.00 0.00 C ATOM 1343 CG GLU A 92 95.935 -14.315 -6.051 1.00 0.00 C ATOM 1344 CD GLU A 92 94.844 -15.321 -5.682 1.00 0.00 C ATOM 1345 OE1 GLU A 92 94.685 -15.586 -4.502 1.00 0.00 O ATOM 1346 OE2 GLU A 92 94.185 -15.810 -6.586 1.00 0.00 O ATOM 0 H GLU A 92 98.446 -13.216 -6.278 1.00 0.00 H new ATOM 0 HA GLU A 92 96.199 -11.824 -5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 92 97.624 -14.513 -4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 92 96.119 -14.130 -3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 92 95.490 -13.431 -6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 92 96.610 -14.749 -6.788 1.00 0.00 H new ATOM 1353 N ALA A 93 98.753 -12.184 -3.142 1.00 0.00 N ATOM 1354 CA ALA A 93 99.262 -11.721 -1.820 1.00 0.00 C ATOM 1355 C ALA A 93 99.504 -10.210 -1.850 1.00 0.00 C ATOM 1356 O ALA A 93 99.295 -9.519 -0.873 1.00 0.00 O ATOM 1357 CB ALA A 93 100.575 -12.474 -1.612 1.00 0.00 C ATOM 0 H ALA A 93 99.428 -12.691 -3.715 1.00 0.00 H new ATOM 0 HA ALA A 93 98.554 -11.913 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.012 -12.186 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 93 100.383 -13.547 -1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.267 -12.227 -2.417 1.00 0.00 H new ATOM 1363 N PHE A 94 99.940 -9.690 -2.965 1.00 0.00 N ATOM 1364 CA PHE A 94 100.190 -8.223 -3.053 1.00 0.00 C ATOM 1365 C PHE A 94 98.863 -7.461 -3.006 1.00 0.00 C ATOM 1366 O PHE A 94 98.745 -6.441 -2.356 1.00 0.00 O ATOM 1367 CB PHE A 94 100.876 -8.015 -4.402 1.00 0.00 C ATOM 1368 CG PHE A 94 101.452 -6.621 -4.459 1.00 0.00 C ATOM 1369 CD1 PHE A 94 102.559 -6.290 -3.669 1.00 0.00 C ATOM 1370 CD2 PHE A 94 100.879 -5.659 -5.299 1.00 0.00 C ATOM 1371 CE1 PHE A 94 103.093 -4.998 -3.719 1.00 0.00 C ATOM 1372 CE2 PHE A 94 101.413 -4.366 -5.349 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.521 -4.035 -4.559 1.00 0.00 C ATOM 0 H PHE A 94 100.134 -10.216 -3.817 1.00 0.00 H new ATOM 0 HA PHE A 94 100.800 -7.858 -2.227 1.00 0.00 H new ATOM 0 HB2 PHE A 94 101.666 -8.753 -4.539 1.00 0.00 H new ATOM 0 HB3 PHE A 94 100.161 -8.159 -5.212 1.00 0.00 H new ATOM 0 HD1 PHE A 94 103.001 -7.032 -3.021 1.00 0.00 H new ATOM 0 HD2 PHE A 94 100.025 -5.914 -5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 94 103.947 -4.743 -3.109 1.00 0.00 H new ATOM 0 HE2 PHE A 94 100.971 -3.624 -5.997 1.00 0.00 H new ATOM 0 HZ PHE A 94 102.934 -3.038 -4.598 1.00 0.00 H new ATOM 1383 N ILE A 95 97.863 -7.950 -3.688 1.00 0.00 N ATOM 1384 CA ILE A 95 96.546 -7.253 -3.678 1.00 0.00 C ATOM 1385 C ILE A 95 96.005 -7.184 -2.248 1.00 0.00 C ATOM 1386 O ILE A 95 95.450 -6.187 -1.832 1.00 0.00 O ATOM 1387 CB ILE A 95 95.636 -8.106 -4.561 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.119 -8.032 -6.012 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.202 -7.581 -4.476 1.00 0.00 C ATOM 1390 CD1 ILE A 95 96.317 -6.568 -6.411 1.00 0.00 C ATOM 0 H ILE A 95 97.901 -8.800 -4.250 1.00 0.00 H new ATOM 0 HA ILE A 95 96.614 -6.228 -4.043 1.00 0.00 H new ATOM 0 HB ILE A 95 95.665 -9.140 -4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 95 97.055 -8.580 -6.123 1.00 0.00 H new ATOM 0 HG13 ILE A 95 95.392 -8.505 -6.673 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.554 -8.190 -5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 95 93.856 -7.632 -3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.172 -6.546 -4.818 1.00 0.00 H new ATOM 0 HD11 ILE A 95 96.661 -6.516 -7.444 1.00 0.00 H new ATOM 0 HD12 ILE A 95 95.372 -6.034 -6.316 1.00 0.00 H new ATOM 0 HD13 ILE A 95 97.060 -6.110 -5.758 1.00 0.00 H new ATOM 1402 N CYS A 96 96.171 -8.235 -1.490 1.00 0.00 N ATOM 1403 CA CYS A 96 95.672 -8.223 -0.085 1.00 0.00 C ATOM 1404 C CYS A 96 96.489 -7.231 0.745 1.00 0.00 C ATOM 1405 O CYS A 96 95.952 -6.459 1.516 1.00 0.00 O ATOM 1406 CB CYS A 96 95.878 -9.652 0.423 1.00 0.00 C ATOM 1407 SG CYS A 96 95.710 -9.684 2.226 1.00 0.00 S ATOM 0 H CYS A 96 96.629 -9.098 -1.782 1.00 0.00 H new ATOM 0 HA CYS A 96 94.628 -7.918 -0.014 1.00 0.00 H new ATOM 0 HB2 CYS A 96 95.147 -10.320 -0.033 1.00 0.00 H new ATOM 0 HB3 CYS A 96 96.864 -10.014 0.133 1.00 0.00 H new ATOM 1412 N ASN A 97 97.785 -7.242 0.591 1.00 0.00 N ATOM 1413 CA ASN A 97 98.634 -6.297 1.366 1.00 0.00 C ATOM 1414 C ASN A 97 98.193 -4.859 1.088 1.00 0.00 C ATOM 1415 O ASN A 97 98.300 -3.991 1.931 1.00 0.00 O ATOM 1416 CB ASN A 97 100.058 -6.536 0.861 1.00 0.00 C ATOM 1417 CG ASN A 97 100.715 -7.636 1.688 1.00 0.00 C ATOM 1418 OD1 ASN A 97 100.116 -8.168 2.601 1.00 0.00 O ATOM 1419 ND2 ASN A 97 101.931 -8.001 1.402 1.00 0.00 N ATOM 0 H ASN A 97 98.291 -7.865 -0.038 1.00 0.00 H new ATOM 0 HA ASN A 97 98.559 -6.452 2.442 1.00 0.00 H new ATOM 0 HB2 ASN A 97 100.039 -6.820 -0.191 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.639 -5.617 0.932 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.384 -8.736 1.945 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.431 -7.552 0.635 1.00 0.00 H new ATOM 1426 N CYS A 98 97.687 -4.604 -0.089 1.00 0.00 N ATOM 1427 CA CYS A 98 97.230 -3.224 -0.420 1.00 0.00 C ATOM 1428 C CYS A 98 95.999 -2.872 0.419 1.00 0.00 C ATOM 1429 O CYS A 98 95.941 -1.836 1.052 1.00 0.00 O ATOM 1430 CB CYS A 98 96.867 -3.266 -1.905 1.00 0.00 C ATOM 1431 SG CYS A 98 98.362 -3.533 -2.891 1.00 0.00 S ATOM 0 H CYS A 98 97.571 -5.291 -0.834 1.00 0.00 H new ATOM 0 HA CYS A 98 97.993 -2.474 -0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 98 96.149 -4.065 -2.091 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.388 -2.332 -2.199 1.00 0.00 H new ATOM 1436 N ASP A 99 95.015 -3.729 0.427 1.00 0.00 N ATOM 1437 CA ASP A 99 93.786 -3.449 1.225 1.00 0.00 C ATOM 1438 C ASP A 99 94.110 -3.473 2.722 1.00 0.00 C ATOM 1439 O ASP A 99 93.632 -2.656 3.483 1.00 0.00 O ATOM 1440 CB ASP A 99 92.814 -4.575 0.870 1.00 0.00 C ATOM 1441 CG ASP A 99 92.303 -4.382 -0.559 1.00 0.00 C ATOM 1442 OD1 ASP A 99 93.124 -4.180 -1.438 1.00 0.00 O ATOM 1443 OD2 ASP A 99 91.100 -4.440 -0.749 1.00 0.00 O ATOM 0 H ASP A 99 95.008 -4.611 -0.084 1.00 0.00 H new ATOM 0 HA ASP A 99 93.368 -2.467 1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.311 -5.541 0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 99 91.977 -4.580 1.568 1.00 0.00 H new ATOM 1448 N ARG A 100 94.919 -4.405 3.150 1.00 0.00 N ATOM 1449 CA ARG A 100 95.270 -4.478 4.597 1.00 0.00 C ATOM 1450 C ARG A 100 96.061 -3.235 5.010 1.00 0.00 C ATOM 1451 O ARG A 100 95.820 -2.649 6.046 1.00 0.00 O ATOM 1452 CB ARG A 100 96.131 -5.733 4.735 1.00 0.00 C ATOM 1453 CG ARG A 100 96.171 -6.163 6.203 1.00 0.00 C ATOM 1454 CD ARG A 100 97.531 -6.788 6.515 1.00 0.00 C ATOM 1455 NE ARG A 100 97.247 -8.216 6.774 1.00 0.00 N ATOM 1456 CZ ARG A 100 98.203 -9.015 7.160 1.00 0.00 C ATOM 1457 NH1 ARG A 100 99.313 -8.521 7.637 1.00 0.00 N ATOM 1458 NH2 ARG A 100 98.050 -10.308 7.068 1.00 0.00 N ATOM 0 H ARG A 100 95.351 -5.117 2.561 1.00 0.00 H new ATOM 0 HA ARG A 100 94.387 -4.520 5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 100 95.724 -6.536 4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 100 97.141 -5.536 4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 100 95.997 -5.303 6.850 1.00 0.00 H new ATOM 0 HG3 ARG A 100 95.375 -6.880 6.405 1.00 0.00 H new ATOM 0 HD2 ARG A 100 98.221 -6.668 5.680 1.00 0.00 H new ATOM 0 HD3 ARG A 100 97.993 -6.314 7.381 1.00 0.00 H new ATOM 0 HE ARG A 100 96.301 -8.577 6.650 1.00 0.00 H new ATOM 0 HH11 ARG A 100 99.433 -7.511 7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 100 100.061 -9.145 7.939 1.00 0.00 H new ATOM 0 HH21 ARG A 100 97.183 -10.694 6.694 1.00 0.00 H new ATOM 0 HH22 ARG A 100 98.798 -10.933 7.370 1.00 0.00 H new ATOM 1472 N ASN A 101 97.004 -2.830 4.206 1.00 0.00 N ATOM 1473 CA ASN A 101 97.809 -1.623 4.550 1.00 0.00 C ATOM 1474 C ASN A 101 96.909 -0.386 4.585 1.00 0.00 C ATOM 1475 O ASN A 101 97.198 0.587 5.252 1.00 0.00 O ATOM 1476 CB ASN A 101 98.842 -1.504 3.430 1.00 0.00 C ATOM 1477 CG ASN A 101 100.098 -2.283 3.806 1.00 0.00 C ATOM 1478 OD1 ASN A 101 100.185 -2.840 4.883 1.00 0.00 O ATOM 1479 ND2 ASN A 101 101.081 -2.345 2.956 1.00 0.00 N ATOM 0 H ASN A 101 97.253 -3.282 3.326 1.00 0.00 H new ATOM 0 HA ASN A 101 98.280 -1.703 5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 101 98.428 -1.889 2.498 1.00 0.00 H new ATOM 0 HB3 ASN A 101 99.089 -0.456 3.260 1.00 0.00 H new ATOM 0 HD21 ASN A 101 101.928 -2.862 3.192 1.00 0.00 H new ATOM 0 HD22 ASN A 101 101.005 -1.877 2.053 1.00 0.00 H new ATOM 1486 N ALA A 102 95.817 -0.420 3.870 1.00 0.00 N ATOM 1487 CA ALA A 102 94.895 0.751 3.859 1.00 0.00 C ATOM 1488 C ALA A 102 94.101 0.811 5.167 1.00 0.00 C ATOM 1489 O ALA A 102 93.936 1.861 5.756 1.00 0.00 O ATOM 1490 CB ALA A 102 93.959 0.506 2.676 1.00 0.00 C ATOM 0 H ALA A 102 95.524 -1.208 3.293 1.00 0.00 H new ATOM 0 HA ALA A 102 95.429 1.697 3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 102 93.247 1.327 2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.542 0.445 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.420 -0.429 2.826 1.00 0.00 H new ATOM 1496 N ALA A 103 93.605 -0.307 5.621 1.00 0.00 N ATOM 1497 CA ALA A 103 92.819 -0.314 6.887 1.00 0.00 C ATOM 1498 C ALA A 103 93.715 0.049 8.075 1.00 0.00 C ATOM 1499 O ALA A 103 93.273 0.644 9.037 1.00 0.00 O ATOM 1500 CB ALA A 103 92.298 -1.746 7.022 1.00 0.00 C ATOM 0 H ALA A 103 93.710 -1.216 5.170 1.00 0.00 H new ATOM 0 HA ALA A 103 92.009 0.415 6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.707 -1.834 7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.675 -1.989 6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 103 93.140 -2.437 7.068 1.00 0.00 H new ATOM 1506 N ILE A 104 94.972 -0.301 8.017 1.00 0.00 N ATOM 1507 CA ILE A 104 95.887 0.031 9.148 1.00 0.00 C ATOM 1508 C ILE A 104 96.142 1.539 9.193 1.00 0.00 C ATOM 1509 O ILE A 104 96.274 2.124 10.249 1.00 0.00 O ATOM 1510 CB ILE A 104 97.183 -0.722 8.849 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.944 -2.227 8.992 1.00 0.00 C ATOM 1512 CG2 ILE A 104 98.266 -0.284 9.839 1.00 0.00 C ATOM 1513 CD1 ILE A 104 97.947 -2.988 8.124 1.00 0.00 C ATOM 0 H ILE A 104 95.404 -0.800 7.239 1.00 0.00 H new ATOM 0 HA ILE A 104 95.468 -0.252 10.114 1.00 0.00 H new ATOM 0 HB ILE A 104 97.506 -0.500 7.832 1.00 0.00 H new ATOM 0 HG12 ILE A 104 97.050 -2.525 10.035 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.926 -2.474 8.692 1.00 0.00 H new ATOM 0 HG21 ILE A 104 99.191 -0.820 9.627 1.00 0.00 H new ATOM 0 HG22 ILE A 104 98.437 0.788 9.740 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.942 -0.508 10.855 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.777 -4.060 8.226 1.00 0.00 H new ATOM 0 HD12 ILE A 104 97.819 -2.698 7.081 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.961 -2.750 8.445 1.00 0.00 H new ATOM 1525 N CYS A 105 96.212 2.174 8.055 1.00 0.00 N ATOM 1526 CA CYS A 105 96.458 3.643 8.039 1.00 0.00 C ATOM 1527 C CYS A 105 95.256 4.381 8.638 1.00 0.00 C ATOM 1528 O CYS A 105 95.405 5.275 9.446 1.00 0.00 O ATOM 1529 CB CYS A 105 96.632 4.002 6.563 1.00 0.00 C ATOM 1530 SG CYS A 105 97.515 5.576 6.425 1.00 0.00 S ATOM 0 H CYS A 105 96.110 1.740 7.138 1.00 0.00 H new ATOM 0 HA CYS A 105 97.331 3.925 8.628 1.00 0.00 H new ATOM 0 HB2 CYS A 105 97.186 3.216 6.049 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.658 4.075 6.078 1.00 0.00 H new ATOM 1535 N PHE A 106 94.066 4.009 8.250 1.00 0.00 N ATOM 1536 CA PHE A 106 92.859 4.679 8.795 1.00 0.00 C ATOM 1537 C PHE A 106 92.869 4.611 10.322 1.00 0.00 C ATOM 1538 O PHE A 106 92.512 5.551 11.003 1.00 0.00 O ATOM 1539 CB PHE A 106 91.680 3.881 8.239 1.00 0.00 C ATOM 1540 CG PHE A 106 91.721 3.884 6.729 1.00 0.00 C ATOM 1541 CD1 PHE A 106 92.183 5.011 6.039 1.00 0.00 C ATOM 1542 CD2 PHE A 106 91.290 2.758 6.016 1.00 0.00 C ATOM 1543 CE1 PHE A 106 92.215 5.012 4.640 1.00 0.00 C ATOM 1544 CE2 PHE A 106 91.323 2.759 4.617 1.00 0.00 C ATOM 1545 CZ PHE A 106 91.786 3.887 3.928 1.00 0.00 C ATOM 0 H PHE A 106 93.881 3.266 7.576 1.00 0.00 H new ATOM 0 HA PHE A 106 92.809 5.732 8.518 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.716 2.857 8.610 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.742 4.313 8.586 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.515 5.880 6.587 1.00 0.00 H new ATOM 0 HD2 PHE A 106 90.932 1.888 6.547 1.00 0.00 H new ATOM 0 HE1 PHE A 106 92.571 5.883 4.109 1.00 0.00 H new ATOM 0 HE2 PHE A 106 90.991 1.890 4.069 1.00 0.00 H new ATOM 0 HZ PHE A 106 91.812 3.888 2.848 1.00 0.00 H new ATOM 1555 N SER A 107 93.271 3.494 10.859 1.00 0.00 N ATOM 1556 CA SER A 107 93.301 3.343 12.343 1.00 0.00 C ATOM 1557 C SER A 107 94.544 4.017 12.932 1.00 0.00 C ATOM 1558 O SER A 107 94.650 4.205 14.128 1.00 0.00 O ATOM 1559 CB SER A 107 93.348 1.835 12.581 1.00 0.00 C ATOM 1560 OG SER A 107 94.704 1.413 12.640 1.00 0.00 O ATOM 0 H SER A 107 93.581 2.676 10.334 1.00 0.00 H new ATOM 0 HA SER A 107 92.439 3.811 12.819 1.00 0.00 H new ATOM 0 HB2 SER A 107 92.836 1.585 13.510 1.00 0.00 H new ATOM 0 HB3 SER A 107 92.826 1.312 11.780 1.00 0.00 H new ATOM 0 HG SER A 107 95.169 1.693 11.824 1.00 0.00 H new ATOM 1566 N LYS A 108 95.487 4.379 12.107 1.00 0.00 N ATOM 1567 CA LYS A 108 96.720 5.035 12.631 1.00 0.00 C ATOM 1568 C LYS A 108 96.658 6.549 12.407 1.00 0.00 C ATOM 1569 O LYS A 108 97.443 7.299 12.951 1.00 0.00 O ATOM 1570 CB LYS A 108 97.865 4.420 11.827 1.00 0.00 C ATOM 1571 CG LYS A 108 98.247 3.070 12.436 1.00 0.00 C ATOM 1572 CD LYS A 108 99.400 3.263 13.422 1.00 0.00 C ATOM 1573 CE LYS A 108 100.403 2.119 13.267 1.00 0.00 C ATOM 1574 NZ LYS A 108 101.332 2.567 12.193 1.00 0.00 N ATOM 0 H LYS A 108 95.459 4.250 11.096 1.00 0.00 H new ATOM 0 HA LYS A 108 96.843 4.882 13.703 1.00 0.00 H new ATOM 0 HB2 LYS A 108 97.565 4.290 10.787 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.726 5.089 11.829 1.00 0.00 H new ATOM 0 HG2 LYS A 108 97.388 2.633 12.945 1.00 0.00 H new ATOM 0 HG3 LYS A 108 98.539 2.374 11.650 1.00 0.00 H new ATOM 0 HD2 LYS A 108 99.892 4.219 13.240 1.00 0.00 H new ATOM 0 HD3 LYS A 108 99.019 3.290 14.443 1.00 0.00 H new ATOM 0 HE2 LYS A 108 100.937 1.933 14.199 1.00 0.00 H new ATOM 0 HE3 LYS A 108 99.903 1.189 12.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 102.051 1.834 12.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 100.796 2.730 11.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 101.798 3.450 12.483 1.00 0.00 H new ATOM 1588 N VAL A 109 95.730 7.005 11.611 1.00 0.00 N ATOM 1589 CA VAL A 109 95.622 8.471 11.356 1.00 0.00 C ATOM 1590 C VAL A 109 94.271 8.996 11.851 1.00 0.00 C ATOM 1591 O VAL A 109 93.324 8.247 11.985 1.00 0.00 O ATOM 1592 CB VAL A 109 95.731 8.617 9.838 1.00 0.00 C ATOM 1593 CG1 VAL A 109 96.998 7.915 9.347 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.507 7.977 9.179 1.00 0.00 C ATOM 0 H VAL A 109 95.043 6.428 11.127 1.00 0.00 H new ATOM 0 HA VAL A 109 96.393 9.039 11.877 1.00 0.00 H new ATOM 0 HB VAL A 109 95.777 9.674 9.576 1.00 0.00 H new ATOM 0 HG11 VAL A 109 97.076 8.019 8.265 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.871 8.367 9.819 1.00 0.00 H new ATOM 0 HG13 VAL A 109 96.952 6.858 9.607 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.581 8.079 8.096 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.463 6.920 9.441 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.603 8.475 9.529 1.00 0.00 H new ATOM 1604 N PRO A 110 94.232 10.275 12.109 1.00 0.00 N ATOM 1605 CA PRO A 110 92.987 10.917 12.598 1.00 0.00 C ATOM 1606 C PRO A 110 91.951 11.008 11.474 1.00 0.00 C ATOM 1607 O PRO A 110 92.239 10.731 10.327 1.00 0.00 O ATOM 1608 CB PRO A 110 93.447 12.307 13.028 1.00 0.00 C ATOM 1609 CG PRO A 110 94.682 12.570 12.226 1.00 0.00 C ATOM 1610 CD PRO A 110 95.332 11.235 11.970 1.00 0.00 C ATOM 0 HA PRO A 110 92.508 10.362 13.405 1.00 0.00 H new ATOM 0 HB2 PRO A 110 92.680 13.056 12.829 1.00 0.00 H new ATOM 0 HB3 PRO A 110 93.656 12.341 14.097 1.00 0.00 H new ATOM 0 HG2 PRO A 110 94.434 13.065 11.287 1.00 0.00 H new ATOM 0 HG3 PRO A 110 95.359 13.232 12.766 1.00 0.00 H new ATOM 0 HD2 PRO A 110 95.777 11.191 10.976 1.00 0.00 H new ATOM 0 HD3 PRO A 110 96.130 11.035 12.686 1.00 0.00 H new ATOM 1618 N TYR A 111 90.748 11.396 11.797 1.00 0.00 N ATOM 1619 CA TYR A 111 89.692 11.505 10.749 1.00 0.00 C ATOM 1620 C TYR A 111 88.881 12.787 10.955 1.00 0.00 C ATOM 1621 O TYR A 111 88.284 12.996 11.993 1.00 0.00 O ATOM 1622 CB TYR A 111 88.813 10.269 10.946 1.00 0.00 C ATOM 1623 CG TYR A 111 87.505 10.452 10.215 1.00 0.00 C ATOM 1624 CD1 TYR A 111 87.502 10.723 8.841 1.00 0.00 C ATOM 1625 CD2 TYR A 111 86.295 10.346 10.910 1.00 0.00 C ATOM 1626 CE1 TYR A 111 86.288 10.888 8.163 1.00 0.00 C ATOM 1627 CE2 TYR A 111 85.081 10.511 10.232 1.00 0.00 C ATOM 1628 CZ TYR A 111 85.078 10.782 8.859 1.00 0.00 C ATOM 1629 OH TYR A 111 83.882 10.945 8.190 1.00 0.00 O ATOM 0 H TYR A 111 90.450 11.642 12.741 1.00 0.00 H new ATOM 0 HA TYR A 111 90.106 11.551 9.742 1.00 0.00 H new ATOM 0 HB2 TYR A 111 89.327 9.383 10.575 1.00 0.00 H new ATOM 0 HB3 TYR A 111 88.628 10.108 12.008 1.00 0.00 H new ATOM 0 HD1 TYR A 111 88.436 10.805 8.305 1.00 0.00 H new ATOM 0 HD2 TYR A 111 86.298 10.137 11.970 1.00 0.00 H new ATOM 0 HE1 TYR A 111 86.285 11.097 7.103 1.00 0.00 H new ATOM 0 HE2 TYR A 111 84.147 10.429 10.768 1.00 0.00 H new ATOM 0 HH TYR A 111 83.829 10.300 7.454 1.00 0.00 H new ATOM 1639 N ASN A 112 88.858 13.650 9.976 1.00 0.00 N ATOM 1640 CA ASN A 112 88.088 14.919 10.120 1.00 0.00 C ATOM 1641 C ASN A 112 86.708 14.782 9.473 1.00 0.00 C ATOM 1642 O ASN A 112 86.586 14.656 8.271 1.00 0.00 O ATOM 1643 CB ASN A 112 88.919 15.973 9.387 1.00 0.00 C ATOM 1644 CG ASN A 112 90.174 16.290 10.202 1.00 0.00 C ATOM 1645 OD1 ASN A 112 91.108 15.386 10.314 1.00 0.00 O flip ATOM 1646 ND2 ASN A 112 90.305 17.370 10.742 1.00 0.00 N flip ATOM 0 H ASN A 112 89.338 13.532 9.084 1.00 0.00 H new ATOM 0 HA ASN A 112 87.923 15.182 11.165 1.00 0.00 H new ATOM 0 HB2 ASN A 112 89.197 15.609 8.398 1.00 0.00 H new ATOM 0 HB3 ASN A 112 88.330 16.878 9.240 1.00 0.00 H new ATOM 0 HD21 ASN A 112 89.574 18.076 10.654 1.00 0.00 H new ATOM 0 HD22 ASN A 112 91.146 17.571 11.284 1.00 0.00 H new ATOM 1653 N LYS A 113 85.667 14.812 10.259 1.00 0.00 N ATOM 1654 CA LYS A 113 84.296 14.689 9.685 1.00 0.00 C ATOM 1655 C LYS A 113 83.987 15.903 8.805 1.00 0.00 C ATOM 1656 O LYS A 113 83.180 15.837 7.899 1.00 0.00 O ATOM 1657 CB LYS A 113 83.360 14.652 10.895 1.00 0.00 C ATOM 1658 CG LYS A 113 83.750 13.488 11.809 1.00 0.00 C ATOM 1659 CD LYS A 113 82.510 12.649 12.125 1.00 0.00 C ATOM 1660 CE LYS A 113 82.057 12.926 13.561 1.00 0.00 C ATOM 1661 NZ LYS A 113 81.355 14.238 13.495 1.00 0.00 N ATOM 0 H LYS A 113 85.706 14.916 11.273 1.00 0.00 H new ATOM 0 HA LYS A 113 84.186 13.803 9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 113 83.419 15.593 11.442 1.00 0.00 H new ATOM 0 HB3 LYS A 113 82.327 14.539 10.565 1.00 0.00 H new ATOM 0 HG2 LYS A 113 84.507 12.870 11.326 1.00 0.00 H new ATOM 0 HG3 LYS A 113 84.190 13.868 12.731 1.00 0.00 H new ATOM 0 HD2 LYS A 113 81.708 12.889 11.427 1.00 0.00 H new ATOM 0 HD3 LYS A 113 82.734 11.589 12.001 1.00 0.00 H new ATOM 0 HE2 LYS A 113 81.394 12.141 13.924 1.00 0.00 H new ATOM 0 HE3 LYS A 113 82.907 12.966 14.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 80.927 14.449 14.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 82.037 14.984 13.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 80.611 14.197 12.770 1.00 0.00 H new ATOM 1675 N GLU A 114 84.621 17.013 9.069 1.00 0.00 N ATOM 1676 CA GLU A 114 84.368 18.233 8.260 1.00 0.00 C ATOM 1677 C GLU A 114 84.906 18.056 6.838 1.00 0.00 C ATOM 1678 O GLU A 114 84.285 18.459 5.874 1.00 0.00 O ATOM 1679 CB GLU A 114 85.124 19.347 8.984 1.00 0.00 C ATOM 1680 CG GLU A 114 84.625 20.708 8.493 1.00 0.00 C ATOM 1681 CD GLU A 114 85.702 21.366 7.630 1.00 0.00 C ATOM 1682 OE1 GLU A 114 86.719 21.754 8.181 1.00 0.00 O ATOM 1683 OE2 GLU A 114 85.491 21.471 6.433 1.00 0.00 O ATOM 0 H GLU A 114 85.307 17.125 9.816 1.00 0.00 H new ATOM 0 HA GLU A 114 83.304 18.451 8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 114 84.976 19.261 10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 114 86.194 19.253 8.801 1.00 0.00 H new ATOM 0 HG2 GLU A 114 83.708 20.585 7.917 1.00 0.00 H new ATOM 0 HG3 GLU A 114 84.384 21.347 9.343 1.00 0.00 H new ATOM 1690 N HIS A 115 86.059 17.460 6.700 1.00 0.00 N ATOM 1691 CA HIS A 115 86.639 17.263 5.340 1.00 0.00 C ATOM 1692 C HIS A 115 85.807 16.254 4.542 1.00 0.00 C ATOM 1693 O HIS A 115 86.055 16.018 3.376 1.00 0.00 O ATOM 1694 CB HIS A 115 88.046 16.718 5.588 1.00 0.00 C ATOM 1695 CG HIS A 115 89.003 17.861 5.786 1.00 0.00 C ATOM 1696 ND1 HIS A 115 90.357 17.660 6.004 1.00 0.00 N ATOM 1697 CD2 HIS A 115 88.819 19.222 5.802 1.00 0.00 C ATOM 1698 CE1 HIS A 115 90.930 18.870 6.140 1.00 0.00 C ATOM 1699 NE2 HIS A 115 90.037 19.856 6.026 1.00 0.00 N ATOM 0 H HIS A 115 86.624 17.101 7.469 1.00 0.00 H new ATOM 0 HA HIS A 115 86.651 18.187 4.761 1.00 0.00 H new ATOM 0 HB2 HIS A 115 88.047 16.073 6.467 1.00 0.00 H new ATOM 0 HB3 HIS A 115 88.364 16.107 4.744 1.00 0.00 H new ATOM 0 HD2 HIS A 115 87.873 19.724 5.662 1.00 0.00 H new ATOM 0 HE1 HIS A 115 91.984 19.025 6.319 1.00 0.00 H new ATOM 0 HE2 HIS A 115 90.211 20.859 6.090 1.00 0.00 H new ATOM 1707 N LYS A 116 84.824 15.656 5.158 1.00 0.00 N ATOM 1708 CA LYS A 116 83.982 14.666 4.441 1.00 0.00 C ATOM 1709 C LYS A 116 83.318 15.312 3.220 1.00 0.00 C ATOM 1710 O LYS A 116 82.955 16.471 3.241 1.00 0.00 O ATOM 1711 CB LYS A 116 82.937 14.262 5.475 1.00 0.00 C ATOM 1712 CG LYS A 116 82.443 12.852 5.179 1.00 0.00 C ATOM 1713 CD LYS A 116 81.203 12.557 6.027 1.00 0.00 C ATOM 1714 CE LYS A 116 79.950 13.026 5.283 1.00 0.00 C ATOM 1715 NZ LYS A 116 78.996 13.427 6.354 1.00 0.00 N ATOM 0 H LYS A 116 84.569 15.814 6.133 1.00 0.00 H new ATOM 0 HA LYS A 116 84.551 13.816 4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.366 14.305 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 116 82.102 14.962 5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 116 82.204 12.754 4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 116 83.227 12.127 5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 116 81.137 11.489 6.234 1.00 0.00 H new ATOM 0 HD3 LYS A 116 81.279 13.064 6.989 1.00 0.00 H new ATOM 0 HE2 LYS A 116 80.174 13.862 4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 116 79.537 12.230 4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 78.110 13.761 5.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 78.797 12.610 6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 79.414 14.191 6.923 1.00 0.00 H new ATOM 1729 N ASN A 117 83.155 14.571 2.156 1.00 0.00 N ATOM 1730 CA ASN A 117 82.514 15.149 0.939 1.00 0.00 C ATOM 1731 C ASN A 117 83.185 16.475 0.574 1.00 0.00 C ATOM 1732 O ASN A 117 82.584 17.528 0.654 1.00 0.00 O ATOM 1733 CB ASN A 117 81.055 15.377 1.334 1.00 0.00 C ATOM 1734 CG ASN A 117 80.247 14.104 1.076 1.00 0.00 C ATOM 1735 OD1 ASN A 117 80.373 13.090 1.889 1.00 0.00 O flip ATOM 1736 ND2 ASN A 117 79.494 14.030 0.126 1.00 0.00 N flip ATOM 0 H ASN A 117 83.437 13.594 2.077 1.00 0.00 H new ATOM 0 HA ASN A 117 82.604 14.496 0.071 1.00 0.00 H new ATOM 0 HB2 ASN A 117 80.992 15.652 2.387 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.638 16.206 0.762 1.00 0.00 H new ATOM 0 HD21 ASN A 117 79.395 14.822 -0.509 1.00 0.00 H new ATOM 0 HD22 ASN A 117 78.960 13.176 -0.036 1.00 0.00 H new ATOM 1743 N LEU A 118 84.429 16.435 0.181 1.00 0.00 N ATOM 1744 CA LEU A 118 85.142 17.664 -0.177 1.00 0.00 C ATOM 1745 C LEU A 118 84.753 18.095 -1.593 1.00 0.00 C ATOM 1746 O LEU A 118 84.104 17.372 -2.323 1.00 0.00 O ATOM 1747 CB LEU A 118 86.606 17.238 -0.084 1.00 0.00 C ATOM 1748 CG LEU A 118 87.484 18.095 -0.976 1.00 0.00 C ATOM 1749 CD1 LEU A 118 87.676 19.478 -0.349 1.00 0.00 C ATOM 1750 CD2 LEU A 118 88.847 17.421 -1.140 1.00 0.00 C ATOM 0 H LEU A 118 84.979 15.580 0.096 1.00 0.00 H new ATOM 0 HA LEU A 118 84.919 18.521 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 118 86.946 17.317 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 118 86.702 16.191 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 118 87.006 18.207 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 118 88.308 20.086 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 118 86.706 19.961 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 118 88.151 19.373 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 118 89.481 18.034 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 118 89.318 17.310 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.715 16.439 -1.593 1.00 0.00 H new ATOM 1762 N ASP A 119 85.145 19.268 -1.975 1.00 0.00 N ATOM 1763 CA ASP A 119 84.809 19.771 -3.339 1.00 0.00 C ATOM 1764 C ASP A 119 85.965 19.507 -4.308 1.00 0.00 C ATOM 1765 O ASP A 119 87.077 19.949 -4.097 1.00 0.00 O ATOM 1766 CB ASP A 119 84.589 21.274 -3.161 1.00 0.00 C ATOM 1767 CG ASP A 119 83.992 21.858 -4.442 1.00 0.00 C ATOM 1768 OD1 ASP A 119 83.800 21.103 -5.381 1.00 0.00 O ATOM 1769 OD2 ASP A 119 83.736 23.051 -4.463 1.00 0.00 O ATOM 0 H ASP A 119 85.689 19.912 -1.401 1.00 0.00 H new ATOM 0 HA ASP A 119 83.932 19.275 -3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 119 83.921 21.457 -2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 119 85.534 21.766 -2.931 1.00 0.00 H new ATOM 1774 N LYS A 120 85.712 18.793 -5.371 1.00 0.00 N ATOM 1775 CA LYS A 120 86.793 18.507 -6.351 1.00 0.00 C ATOM 1776 C LYS A 120 87.449 19.813 -6.814 1.00 0.00 C ATOM 1777 O LYS A 120 88.546 19.819 -7.334 1.00 0.00 O ATOM 1778 CB LYS A 120 86.096 17.813 -7.523 1.00 0.00 C ATOM 1779 CG LYS A 120 85.445 16.515 -7.039 1.00 0.00 C ATOM 1780 CD LYS A 120 84.931 15.721 -8.243 1.00 0.00 C ATOM 1781 CE LYS A 120 83.702 14.906 -7.832 1.00 0.00 C ATOM 1782 NZ LYS A 120 82.613 15.909 -7.667 1.00 0.00 N ATOM 0 H LYS A 120 84.801 18.396 -5.602 1.00 0.00 H new ATOM 0 HA LYS A 120 87.583 17.889 -5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 120 85.341 18.472 -7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 120 86.817 17.598 -8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 120 86.167 15.920 -6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 120 84.622 16.740 -6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 120 84.675 16.400 -9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 120 85.712 15.058 -8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 120 83.446 14.167 -8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 120 83.881 14.362 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 82.305 15.927 -6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 82.964 16.850 -7.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 81.809 15.652 -8.274 1.00 0.00 H new ATOM 1796 N LYS A 121 86.779 20.918 -6.628 1.00 0.00 N ATOM 1797 CA LYS A 121 87.356 22.228 -7.057 1.00 0.00 C ATOM 1798 C LYS A 121 88.570 22.580 -6.209 1.00 0.00 C ATOM 1799 O LYS A 121 89.333 23.472 -6.524 1.00 0.00 O ATOM 1800 CB LYS A 121 86.244 23.236 -6.818 1.00 0.00 C ATOM 1801 CG LYS A 121 85.759 23.771 -8.158 1.00 0.00 C ATOM 1802 CD LYS A 121 86.149 25.246 -8.289 1.00 0.00 C ATOM 1803 CE LYS A 121 84.894 26.088 -8.538 1.00 0.00 C ATOM 1804 NZ LYS A 121 85.386 27.360 -9.144 1.00 0.00 N ATOM 0 H LYS A 121 85.856 20.972 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 121 87.688 22.209 -8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 121 85.420 22.766 -6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 121 86.606 24.054 -6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 121 86.197 23.194 -8.972 1.00 0.00 H new ATOM 0 HG3 LYS A 121 84.677 23.661 -8.236 1.00 0.00 H new ATOM 0 HD2 LYS A 121 86.651 25.582 -7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 121 86.855 25.375 -9.110 1.00 0.00 H new ATOM 0 HE2 LYS A 121 84.203 25.575 -9.207 1.00 0.00 H new ATOM 0 HE3 LYS A 121 84.357 26.277 -7.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 84.579 27.986 -9.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 86.036 27.831 -8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 85.887 27.151 -10.031 1.00 0.00 H new ATOM 1818 N ASN A 122 88.762 21.863 -5.154 1.00 0.00 N ATOM 1819 CA ASN A 122 89.937 22.106 -4.280 1.00 0.00 C ATOM 1820 C ASN A 122 91.036 21.140 -4.686 1.00 0.00 C ATOM 1821 O ASN A 122 92.170 21.230 -4.259 1.00 0.00 O ATOM 1822 CB ASN A 122 89.448 21.787 -2.874 1.00 0.00 C ATOM 1823 CG ASN A 122 88.903 23.054 -2.213 1.00 0.00 C ATOM 1824 OD1 ASN A 122 87.646 23.105 -1.866 1.00 0.00 O flip ATOM 1825 ND2 ASN A 122 89.629 24.008 -2.011 1.00 0.00 N flip ATOM 0 H ASN A 122 88.149 21.106 -4.850 1.00 0.00 H new ATOM 0 HA ASN A 122 90.328 23.121 -4.348 1.00 0.00 H new ATOM 0 HB2 ASN A 122 88.671 21.024 -2.914 1.00 0.00 H new ATOM 0 HB3 ASN A 122 90.265 21.379 -2.279 1.00 0.00 H new ATOM 0 HD21 ASN A 122 90.611 23.968 -2.282 1.00 0.00 H new ATOM 0 HD22 ASN A 122 89.256 24.849 -1.570 1.00 0.00 H new ATOM 1832 N CYS A 123 90.678 20.204 -5.509 1.00 0.00 N ATOM 1833 CA CYS A 123 91.644 19.184 -5.976 1.00 0.00 C ATOM 1834 C CYS A 123 92.062 19.465 -7.422 1.00 0.00 C ATOM 1835 O CYS A 123 91.334 20.167 -8.103 1.00 0.00 O ATOM 1836 CB CYS A 123 90.858 17.883 -5.880 1.00 0.00 C ATOM 1837 SG CYS A 123 91.136 17.124 -4.261 1.00 0.00 S ATOM 1838 OXT CYS A 123 93.103 18.971 -7.823 1.00 0.00 O ATOM 0 H CYS A 123 89.736 20.101 -5.886 1.00 0.00 H new ATOM 0 HA CYS A 123 92.565 19.165 -5.394 1.00 0.00 H new ATOM 0 HB2 CYS A 123 89.795 18.077 -6.024 1.00 0.00 H new ATOM 0 HB3 CYS A 123 91.168 17.200 -6.671 1.00 0.00 H new TER 1843 CYS A 123