USER MOD reduce.3.24.130724 H: found=0, std=0, add=1368, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1370 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: B 87 ASN :FLIP amide:sc= -0.744 F(o=-1.7!,f=-0.74) USER MOD Set 2.1: B 25 LYS NZ :NH3+ -132:sc= -0.2! (180deg=-0.261) USER MOD Set 2.2: B 26 TYR OH : rot 180:sc= 0.292 USER MOD Set 3.1: A 82 THR OG1 : rot 60:sc= 0.396! USER MOD Set 3.2: B 8 MET CE :methyl -163:sc= -3.57! (180deg=-5.29) USER MOD Set 4.1: A 8 MET CE :methyl -138:sc= -3.89! (180deg=-5.82!) USER MOD Set 4.2: B 82 THR OG1 : rot 71:sc= 0.483 USER MOD Single : A 2 SER OG : rot 117:sc= 0.817 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00455 USER MOD Single : A 10 THR OG1 : rot 78:sc= 0.694 USER MOD Single : A 13 ASN : amide:sc= -1.73 X(o=-1.7,f=-1.7) USER MOD Single : A 16 HIS : no HD1:sc= -0.0782 K(o=-0.078,f=-1.2) USER MOD Single : A 18 HIS : no HE2:sc= -1.77 K(o=-1.8,f=-11!) USER MOD Single : A 19 SER OG : rot -43:sc= 1.02 USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0275) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= 0.339 (180deg=-3.28!) USER MOD Single : A 29 SER OG : rot 31:sc= -0.971 USER MOD Single : A 30 LYS NZ :NH3+ 149:sc= 0.273 (180deg=-4.66!) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.11) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= -0.0796 (180deg=-0.0796) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 39 THR OG1 : rot 98:sc= 0.835 USER MOD Single : A 42 SER OG : rot -54:sc= 0.581 USER MOD Single : A 48 GLN :FLIP amide:sc= -3.81 F(o=-5.9!,f=-3.8) USER MOD Single : A 49 LYS NZ :NH3+ -106:sc= -2.43! (180deg=-4.32!) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -2.16! (180deg=-3.55!) USER MOD Single : A 58 MET CE :methyl -140:sc= 0 (180deg=-0.0986) USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= -1.16! (180deg=-3.01!) USER MOD Single : A 64 ASN : amide:sc= 0.836 K(o=0.84,f=-2.4!) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 74 TYR OH : rot 130:sc= -0.241 USER MOD Single : A 85 MET CE :methyl 162:sc= -2 (180deg=-3.39!) USER MOD Single : A 86 ASN : amide:sc= -3.29 X(o=-3.3,f=-3.4!) USER MOD Single : A 87 ASN :FLIP amide:sc= 1.06 F(o=0.33,f=1.1) USER MOD Single : B 2 SER OG : rot -149:sc= -0.534 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0.00284 USER MOD Single : B 10 THR OG1 : rot 74:sc= 0.606 USER MOD Single : B 13 ASN : amide:sc= -2.63 X(o=-2.6,f=-2.5) USER MOD Single : B 16 HIS : no HE2:sc= -5.03! C(o=-5!,f=-4.6!) USER MOD Single : B 18 HIS : no HE2:sc= -8.01! C(o=-8!,f=-15!) USER MOD Single : B 19 SER OG : rot -40:sc= 1.12 USER MOD Single : B 21 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0433) USER MOD Single : B 27 LYS NZ :NH3+ -172:sc= 0.0135 (180deg=-0.526!) USER MOD Single : B 29 SER OG : rot 57:sc= 0.411 USER MOD Single : B 30 LYS NZ :NH3+ -167:sc= -4.17! (180deg=-4.79!) USER MOD Single : B 31 LYS NZ :NH3+ -141:sc= -1.65! (180deg=-3.85!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 GLN : amide:sc= 0.27 K(o=0.27,f=-1.1) USER MOD Single : B 39 THR OG1 : rot 105:sc= 0.611 USER MOD Single : B 42 SER OG : rot -7:sc= 0.917 USER MOD Single : B 48 GLN : amide:sc= -8.22! C(o=-8.2!,f=-9.7!) USER MOD Single : B 49 LYS NZ :NH3+ 155:sc= -1.44! (180deg=-2.59!) USER MOD Single : B 56 LYS NZ :NH3+ -156:sc= 0.54 (180deg=-2.07!) USER MOD Single : B 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 59 LYS NZ :NH3+ -165:sc= -2.67! (180deg=-3.63!) USER MOD Single : B 64 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 72 GLN : amide:sc= 0.0493 X(o=0.049,f=-0.027) USER MOD Single : B 74 TYR OH : rot -41:sc= -2.25! USER MOD Single : B 85 MET CE :methyl -140:sc= -5.29! (180deg=-11.3!) USER MOD Single : B 86 ASN : amide:sc= -0.669 K(o=-0.67,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -10.643 2.250 10.616 1.00 0.00 N ATOM 9 CA SER A 2 -9.680 1.802 11.604 1.00 0.00 C ATOM 10 C SER A 2 -8.340 2.479 11.404 1.00 0.00 C ATOM 11 O SER A 2 -8.165 3.295 10.484 1.00 0.00 O ATOM 12 CB SER A 2 -9.507 0.285 11.505 1.00 0.00 C ATOM 13 OG SER A 2 -10.338 -0.213 10.466 1.00 0.00 O ATOM 0 HA SER A 2 -10.056 2.067 12.592 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.465 0.038 11.303 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.768 -0.185 12.453 1.00 0.00 H new ATOM 0 HG SER A 2 -9.781 -0.606 9.762 1.00 0.00 H new ATOM 19 N GLU A 3 -7.367 2.031 12.177 1.00 0.00 N ATOM 20 CA GLU A 3 -5.996 2.468 12.031 1.00 0.00 C ATOM 21 C GLU A 3 -5.589 2.303 10.580 1.00 0.00 C ATOM 22 O GLU A 3 -4.591 2.857 10.129 1.00 0.00 O ATOM 23 CB GLU A 3 -5.096 1.573 12.880 1.00 0.00 C ATOM 24 CG GLU A 3 -5.606 1.515 14.320 1.00 0.00 C ATOM 25 CD GLU A 3 -6.600 0.380 14.464 1.00 0.00 C ATOM 26 OE1 GLU A 3 -7.759 0.595 14.201 1.00 0.00 O ATOM 27 OE2 GLU A 3 -6.189 -0.699 14.824 1.00 0.00 O ATOM 0 H GLU A 3 -7.509 1.352 12.925 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.902 3.508 12.344 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.068 0.569 12.457 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.075 1.954 12.864 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.772 1.370 15.006 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.078 2.461 14.587 1.00 0.00 H new ATOM 34 N LEU A 4 -6.345 1.479 9.880 1.00 0.00 N ATOM 35 CA LEU A 4 -6.058 1.133 8.510 1.00 0.00 C ATOM 36 C LEU A 4 -6.022 2.395 7.672 1.00 0.00 C ATOM 37 O LEU A 4 -5.059 2.649 6.951 1.00 0.00 O ATOM 38 CB LEU A 4 -7.202 0.233 7.984 1.00 0.00 C ATOM 39 CG LEU A 4 -6.722 -0.680 6.850 1.00 0.00 C ATOM 40 CD1 LEU A 4 -5.793 0.063 5.881 1.00 0.00 C ATOM 41 CD2 LEU A 4 -6.007 -1.879 7.461 1.00 0.00 C ATOM 0 H LEU A 4 -7.181 1.030 10.253 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.099 0.618 8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.593 -0.374 8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.022 0.856 7.628 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.585 -1.012 6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.473 -0.616 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.325 0.906 5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.920 0.427 6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.659 -2.539 6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.154 -1.535 8.046 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.696 -2.422 8.108 1.00 0.00 H new ATOM 53 N GLU A 5 -7.047 3.215 7.816 1.00 0.00 N ATOM 54 CA GLU A 5 -7.113 4.437 7.057 1.00 0.00 C ATOM 55 C GLU A 5 -6.015 5.387 7.496 1.00 0.00 C ATOM 56 O GLU A 5 -5.272 5.911 6.673 1.00 0.00 O ATOM 57 CB GLU A 5 -8.488 5.098 7.211 1.00 0.00 C ATOM 58 CG GLU A 5 -9.565 4.212 6.563 1.00 0.00 C ATOM 59 CD GLU A 5 -10.938 4.888 6.614 1.00 0.00 C ATOM 60 OE1 GLU A 5 -11.037 5.980 7.149 1.00 0.00 O ATOM 61 OE2 GLU A 5 -11.868 4.313 6.106 1.00 0.00 O ATOM 0 H GLU A 5 -7.834 3.055 8.445 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.967 4.197 6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.714 5.248 8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.483 6.082 6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.296 4.006 5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.609 3.252 7.078 1.00 0.00 H new ATOM 68 N THR A 6 -5.836 5.508 8.799 1.00 0.00 N ATOM 69 CA THR A 6 -4.787 6.347 9.336 1.00 0.00 C ATOM 70 C THR A 6 -3.426 5.838 8.874 1.00 0.00 C ATOM 71 O THR A 6 -2.581 6.614 8.412 1.00 0.00 O ATOM 72 CB THR A 6 -4.873 6.361 10.858 1.00 0.00 C ATOM 73 OG1 THR A 6 -6.228 6.594 11.237 1.00 0.00 O ATOM 74 CG2 THR A 6 -3.984 7.474 11.427 1.00 0.00 C ATOM 0 H THR A 6 -6.404 5.035 9.502 1.00 0.00 H new ATOM 0 HA THR A 6 -4.912 7.366 8.971 1.00 0.00 H new ATOM 0 HB THR A 6 -4.531 5.404 11.252 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.297 6.604 12.215 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.053 7.475 12.515 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.950 7.301 11.129 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.316 8.438 11.042 1.00 0.00 H new ATOM 82 N ALA A 7 -3.231 4.530 8.948 1.00 0.00 N ATOM 83 CA ALA A 7 -1.986 3.936 8.495 1.00 0.00 C ATOM 84 C ALA A 7 -1.734 4.325 7.050 1.00 0.00 C ATOM 85 O ALA A 7 -0.651 4.802 6.707 1.00 0.00 O ATOM 86 CB ALA A 7 -2.042 2.409 8.626 1.00 0.00 C ATOM 0 H ALA A 7 -3.913 3.866 9.314 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.171 4.306 9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.101 1.980 8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.204 2.139 9.670 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.861 2.022 8.020 1.00 0.00 H new ATOM 92 N MET A 8 -2.759 4.188 6.214 1.00 0.00 N ATOM 93 CA MET A 8 -2.623 4.572 4.818 1.00 0.00 C ATOM 94 C MET A 8 -2.406 6.080 4.700 1.00 0.00 C ATOM 95 O MET A 8 -1.535 6.539 3.957 1.00 0.00 O ATOM 96 CB MET A 8 -3.842 4.144 3.999 1.00 0.00 C ATOM 97 CG MET A 8 -3.974 2.613 4.025 1.00 0.00 C ATOM 98 SD MET A 8 -2.409 1.845 3.534 1.00 0.00 S ATOM 99 CE MET A 8 -2.316 2.514 1.869 1.00 0.00 C ATOM 0 H MET A 8 -3.675 3.821 6.474 1.00 0.00 H new ATOM 0 HA MET A 8 -1.752 4.056 4.414 1.00 0.00 H new ATOM 0 HB2 MET A 8 -4.744 4.603 4.405 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.742 4.492 2.971 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.253 2.281 5.025 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.770 2.297 3.351 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.979 1.737 1.183 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.301 2.867 1.563 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.611 3.345 1.850 1.00 0.00 H new ATOM 109 N GLU A 9 -3.141 6.848 5.498 1.00 0.00 N ATOM 110 CA GLU A 9 -2.986 8.299 5.505 1.00 0.00 C ATOM 111 C GLU A 9 -1.594 8.671 5.996 1.00 0.00 C ATOM 112 O GLU A 9 -0.942 9.559 5.444 1.00 0.00 O ATOM 113 CB GLU A 9 -4.049 8.948 6.389 1.00 0.00 C ATOM 114 CG GLU A 9 -5.438 8.782 5.745 1.00 0.00 C ATOM 115 CD GLU A 9 -6.522 9.337 6.654 1.00 0.00 C ATOM 116 OE1 GLU A 9 -6.195 10.039 7.590 1.00 0.00 O ATOM 117 OE2 GLU A 9 -7.672 9.061 6.403 1.00 0.00 O ATOM 0 H GLU A 9 -3.846 6.493 6.144 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.113 8.668 4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.040 8.491 7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.825 10.006 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.463 9.297 4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.628 7.727 5.546 1.00 0.00 H new ATOM 124 N THR A 10 -1.105 7.932 6.972 1.00 0.00 N ATOM 125 CA THR A 10 0.234 8.154 7.483 1.00 0.00 C ATOM 126 C THR A 10 1.224 8.007 6.334 1.00 0.00 C ATOM 127 O THR A 10 2.069 8.882 6.101 1.00 0.00 O ATOM 128 CB THR A 10 0.543 7.140 8.603 1.00 0.00 C ATOM 129 OG1 THR A 10 -0.541 7.120 9.528 1.00 0.00 O ATOM 130 CG2 THR A 10 1.827 7.547 9.341 1.00 0.00 C ATOM 0 H THR A 10 -1.613 7.174 7.427 1.00 0.00 H new ATOM 0 HA THR A 10 0.315 9.157 7.903 1.00 0.00 H new ATOM 0 HB THR A 10 0.679 6.152 8.164 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.283 6.603 9.151 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.037 6.825 10.130 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.660 7.569 8.638 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.697 8.536 9.780 1.00 0.00 H new ATOM 138 N LEU A 11 1.021 6.971 5.535 1.00 0.00 N ATOM 139 CA LEU A 11 1.819 6.793 4.337 1.00 0.00 C ATOM 140 C LEU A 11 1.587 7.955 3.371 1.00 0.00 C ATOM 141 O LEU A 11 2.541 8.482 2.782 1.00 0.00 O ATOM 142 CB LEU A 11 1.516 5.449 3.654 1.00 0.00 C ATOM 143 CG LEU A 11 2.034 4.279 4.512 1.00 0.00 C ATOM 144 CD1 LEU A 11 1.462 2.964 3.974 1.00 0.00 C ATOM 145 CD2 LEU A 11 3.568 4.208 4.436 1.00 0.00 C ATOM 0 H LEU A 11 0.318 6.249 5.693 1.00 0.00 H new ATOM 0 HA LEU A 11 2.869 6.783 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.442 5.347 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.984 5.421 2.670 1.00 0.00 H new ATOM 0 HG LEU A 11 1.723 4.436 5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.827 2.134 4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.373 2.995 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.778 2.826 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.924 3.378 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.874 4.056 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.994 5.140 4.807 1.00 0.00 H new ATOM 157 N ILE A 12 0.334 8.393 3.244 1.00 0.00 N ATOM 158 CA ILE A 12 0.027 9.527 2.373 1.00 0.00 C ATOM 159 C ILE A 12 0.761 10.742 2.892 1.00 0.00 C ATOM 160 O ILE A 12 1.315 11.509 2.127 1.00 0.00 O ATOM 161 CB ILE A 12 -1.487 9.845 2.373 1.00 0.00 C ATOM 162 CG1 ILE A 12 -2.294 8.717 1.710 1.00 0.00 C ATOM 163 CG2 ILE A 12 -1.748 11.168 1.625 1.00 0.00 C ATOM 164 CD1 ILE A 12 -2.063 8.704 0.195 1.00 0.00 C ATOM 0 H ILE A 12 -0.471 7.989 3.723 1.00 0.00 H new ATOM 0 HA ILE A 12 0.333 9.274 1.358 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.809 9.937 3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.003 7.757 2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.355 8.850 1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.816 11.384 1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.212 11.978 2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.401 11.079 0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.643 7.898 -0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.377 9.658 -0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.004 8.547 -0.010 1.00 0.00 H new ATOM 176 N ASN A 13 0.723 10.924 4.196 1.00 0.00 N ATOM 177 CA ASN A 13 1.315 12.091 4.809 1.00 0.00 C ATOM 178 C ASN A 13 2.794 12.139 4.493 1.00 0.00 C ATOM 179 O ASN A 13 3.302 13.157 4.029 1.00 0.00 O ATOM 180 CB ASN A 13 1.139 11.987 6.319 1.00 0.00 C ATOM 181 CG ASN A 13 -0.337 12.072 6.684 1.00 0.00 C ATOM 182 OD1 ASN A 13 -1.116 12.737 5.992 1.00 0.00 O ATOM 183 ND2 ASN A 13 -0.773 11.418 7.711 1.00 0.00 N ATOM 0 H ASN A 13 0.287 10.276 4.852 1.00 0.00 H new ATOM 0 HA ASN A 13 0.833 12.991 4.427 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.556 11.046 6.677 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.690 12.788 6.813 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.763 11.450 7.953 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.126 10.871 8.279 1.00 0.00 H new ATOM 190 N VAL A 14 3.466 11.008 4.635 1.00 0.00 N ATOM 191 CA VAL A 14 4.873 10.922 4.284 1.00 0.00 C ATOM 192 C VAL A 14 5.055 11.128 2.781 1.00 0.00 C ATOM 193 O VAL A 14 5.883 11.934 2.345 1.00 0.00 O ATOM 194 CB VAL A 14 5.447 9.569 4.735 1.00 0.00 C ATOM 195 CG1 VAL A 14 6.896 9.419 4.252 1.00 0.00 C ATOM 196 CG2 VAL A 14 5.408 9.495 6.268 1.00 0.00 C ATOM 0 H VAL A 14 3.062 10.141 4.989 1.00 0.00 H new ATOM 0 HA VAL A 14 5.420 11.711 4.800 1.00 0.00 H new ATOM 0 HB VAL A 14 4.849 8.764 4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.290 8.457 4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.924 9.473 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.504 10.221 4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.814 8.538 6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.005 10.305 6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.378 9.589 6.611 1.00 0.00 H new ATOM 206 N PHE A 15 4.231 10.447 2.003 1.00 0.00 N ATOM 207 CA PHE A 15 4.255 10.588 0.552 1.00 0.00 C ATOM 208 C PHE A 15 3.986 12.037 0.183 1.00 0.00 C ATOM 209 O PHE A 15 4.723 12.656 -0.585 1.00 0.00 O ATOM 210 CB PHE A 15 3.137 9.712 -0.037 1.00 0.00 C ATOM 211 CG PHE A 15 3.055 9.868 -1.539 1.00 0.00 C ATOM 212 CD1 PHE A 15 2.236 10.864 -2.095 1.00 0.00 C ATOM 213 CD2 PHE A 15 3.789 9.023 -2.375 1.00 0.00 C ATOM 214 CE1 PHE A 15 2.155 11.012 -3.481 1.00 0.00 C ATOM 215 CE2 PHE A 15 3.704 9.170 -3.761 1.00 0.00 C ATOM 216 CZ PHE A 15 2.888 10.164 -4.314 1.00 0.00 C ATOM 0 H PHE A 15 3.534 9.788 2.351 1.00 0.00 H new ATOM 0 HA PHE A 15 5.227 10.285 0.162 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.320 8.667 0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.182 9.985 0.412 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.668 11.517 -1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.421 8.257 -1.950 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.527 11.780 -3.908 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.269 8.515 -4.408 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.825 10.275 -5.386 1.00 0.00 H new ATOM 226 N HIS A 16 2.936 12.567 0.770 1.00 0.00 N ATOM 227 CA HIS A 16 2.484 13.914 0.518 1.00 0.00 C ATOM 228 C HIS A 16 3.495 14.937 1.009 1.00 0.00 C ATOM 229 O HIS A 16 3.768 15.929 0.327 1.00 0.00 O ATOM 230 CB HIS A 16 1.123 14.116 1.188 1.00 0.00 C ATOM 231 CG HIS A 16 0.503 15.405 0.764 1.00 0.00 C ATOM 232 ND1 HIS A 16 0.886 16.080 -0.389 1.00 0.00 N ATOM 233 CD2 HIS A 16 -0.504 16.142 1.320 1.00 0.00 C ATOM 234 CE1 HIS A 16 0.114 17.177 -0.487 1.00 0.00 C ATOM 235 NE2 HIS A 16 -0.754 17.268 0.532 1.00 0.00 N ATOM 0 H HIS A 16 2.363 12.064 1.448 1.00 0.00 H new ATOM 0 HA HIS A 16 2.382 14.062 -0.557 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.461 13.289 0.932 1.00 0.00 H new ATOM 0 HB3 HIS A 16 1.242 14.105 2.271 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.028 15.892 2.231 1.00 0.00 H new ATOM 0 HE1 HIS A 16 0.184 17.897 -1.289 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -1.446 18.000 0.696 1.00 0.00 H new ATOM 244 N ALA A 17 4.058 14.697 2.186 1.00 0.00 N ATOM 245 CA ALA A 17 5.042 15.612 2.737 1.00 0.00 C ATOM 246 C ALA A 17 6.174 15.795 1.747 1.00 0.00 C ATOM 247 O ALA A 17 6.573 16.927 1.451 1.00 0.00 O ATOM 248 CB ALA A 17 5.595 15.083 4.067 1.00 0.00 C ATOM 0 H ALA A 17 3.852 13.886 2.770 1.00 0.00 H new ATOM 0 HA ALA A 17 4.559 16.571 2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.330 15.785 4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.780 14.973 4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.069 14.115 3.905 1.00 0.00 H new ATOM 254 N HIS A 18 6.649 14.683 1.194 1.00 0.00 N ATOM 255 CA HIS A 18 7.700 14.719 0.187 1.00 0.00 C ATOM 256 C HIS A 18 7.221 15.308 -1.122 1.00 0.00 C ATOM 257 O HIS A 18 7.952 16.046 -1.770 1.00 0.00 O ATOM 258 CB HIS A 18 8.368 13.363 0.011 1.00 0.00 C ATOM 259 CG HIS A 18 9.293 13.165 1.176 1.00 0.00 C ATOM 260 ND1 HIS A 18 10.626 13.571 1.148 1.00 0.00 N ATOM 261 CD2 HIS A 18 9.081 12.659 2.431 1.00 0.00 C ATOM 262 CE1 HIS A 18 11.149 13.302 2.361 1.00 0.00 C ATOM 263 NE2 HIS A 18 10.250 12.748 3.179 1.00 0.00 N ATOM 0 H HIS A 18 6.321 13.746 1.428 1.00 0.00 H new ATOM 0 HA HIS A 18 8.470 15.395 0.558 1.00 0.00 H new ATOM 0 HB2 HIS A 18 7.622 12.569 -0.026 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.920 13.326 -0.928 1.00 0.00 H new ATOM 0 HD1 HIS A 18 11.114 13.993 0.358 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.146 12.252 2.786 1.00 0.00 H new ATOM 0 HE1 HIS A 18 12.172 13.509 2.638 1.00 0.00 H new ATOM 272 N SER A 19 5.961 15.090 -1.453 1.00 0.00 N ATOM 273 CA SER A 19 5.399 15.725 -2.639 1.00 0.00 C ATOM 274 C SER A 19 5.683 17.229 -2.582 1.00 0.00 C ATOM 275 O SER A 19 6.008 17.864 -3.592 1.00 0.00 O ATOM 276 CB SER A 19 3.891 15.486 -2.704 1.00 0.00 C ATOM 277 OG SER A 19 3.617 14.093 -2.645 1.00 0.00 O ATOM 0 H SER A 19 5.317 14.493 -0.934 1.00 0.00 H new ATOM 0 HA SER A 19 5.857 15.295 -3.530 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.397 15.997 -1.878 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.487 15.906 -3.625 1.00 0.00 H new ATOM 0 HG SER A 19 4.247 13.611 -3.221 1.00 0.00 H new ATOM 283 N GLY A 20 5.607 17.778 -1.383 1.00 0.00 N ATOM 284 CA GLY A 20 5.918 19.182 -1.156 1.00 0.00 C ATOM 285 C GLY A 20 7.391 19.468 -1.427 1.00 0.00 C ATOM 286 O GLY A 20 7.746 20.558 -1.880 1.00 0.00 O ATOM 0 H GLY A 20 5.330 17.269 -0.543 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.299 19.804 -1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.675 19.450 -0.128 1.00 0.00 H new ATOM 290 N LYS A 21 8.247 18.495 -1.123 1.00 0.00 N ATOM 291 CA LYS A 21 9.690 18.643 -1.311 1.00 0.00 C ATOM 292 C LYS A 21 10.022 18.883 -2.776 1.00 0.00 C ATOM 293 O LYS A 21 10.480 19.965 -3.150 1.00 0.00 O ATOM 294 CB LYS A 21 10.448 17.396 -0.803 1.00 0.00 C ATOM 295 CG LYS A 21 10.772 17.533 0.695 1.00 0.00 C ATOM 296 CD LYS A 21 9.477 17.570 1.516 1.00 0.00 C ATOM 297 CE LYS A 21 9.612 16.661 2.746 1.00 0.00 C ATOM 298 NZ LYS A 21 10.607 17.234 3.682 1.00 0.00 N ATOM 0 H LYS A 21 7.965 17.591 -0.744 1.00 0.00 H new ATOM 0 HA LYS A 21 10.010 19.507 -0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.845 16.504 -0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.370 17.268 -1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.392 16.697 1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.347 18.442 0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.264 18.592 1.830 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.637 17.244 0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.647 16.559 3.243 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.920 15.661 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.599 16.694 4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.554 17.184 3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.368 18.227 3.878 1.00 0.00 H new ATOM 312 N GLU A 22 9.812 17.868 -3.597 1.00 0.00 N ATOM 313 CA GLU A 22 10.145 17.956 -5.015 1.00 0.00 C ATOM 314 C GLU A 22 9.341 19.064 -5.708 1.00 0.00 C ATOM 315 O GLU A 22 9.926 19.977 -6.304 1.00 0.00 O ATOM 316 CB GLU A 22 9.919 16.606 -5.697 1.00 0.00 C ATOM 317 CG GLU A 22 8.634 15.966 -5.158 1.00 0.00 C ATOM 318 CD GLU A 22 7.799 15.511 -6.319 1.00 0.00 C ATOM 319 OE1 GLU A 22 7.233 16.363 -6.979 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.762 14.331 -6.559 1.00 0.00 O ATOM 0 H GLU A 22 9.414 16.974 -3.310 1.00 0.00 H new ATOM 0 HA GLU A 22 11.200 18.215 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.845 16.740 -6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.769 15.948 -5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.875 15.122 -4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.080 16.683 -4.552 1.00 0.00 H new ATOM 327 N GLY A 23 8.037 19.103 -5.454 1.00 0.00 N ATOM 328 CA GLY A 23 7.221 20.243 -5.883 1.00 0.00 C ATOM 329 C GLY A 23 6.379 20.013 -7.143 1.00 0.00 C ATOM 330 O GLY A 23 5.756 20.963 -7.629 1.00 0.00 O ATOM 0 H GLY A 23 7.525 18.372 -4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.554 20.518 -5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.879 21.094 -6.057 1.00 0.00 H new ATOM 334 N ASP A 24 6.291 18.780 -7.654 1.00 0.00 N ATOM 335 CA ASP A 24 5.435 18.557 -8.840 1.00 0.00 C ATOM 336 C ASP A 24 4.012 18.956 -8.515 1.00 0.00 C ATOM 337 O ASP A 24 3.381 19.739 -9.223 1.00 0.00 O ATOM 338 CB ASP A 24 5.418 17.069 -9.243 1.00 0.00 C ATOM 339 CG ASP A 24 4.742 16.900 -10.585 1.00 0.00 C ATOM 340 OD1 ASP A 24 5.292 17.360 -11.561 1.00 0.00 O ATOM 341 OD2 ASP A 24 3.686 16.320 -10.629 1.00 0.00 O ATOM 0 H ASP A 24 6.772 17.956 -7.293 1.00 0.00 H new ATOM 0 HA ASP A 24 5.839 19.154 -9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.437 16.686 -9.290 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.893 16.486 -8.487 1.00 0.00 H new ATOM 346 N LYS A 25 3.555 18.411 -7.421 1.00 0.00 N ATOM 347 CA LYS A 25 2.228 18.567 -6.853 1.00 0.00 C ATOM 348 C LYS A 25 2.074 17.387 -5.929 1.00 0.00 C ATOM 349 O LYS A 25 3.092 16.901 -5.427 1.00 0.00 O ATOM 350 CB LYS A 25 1.112 18.624 -7.938 1.00 0.00 C ATOM 351 CG LYS A 25 1.062 17.330 -8.786 1.00 0.00 C ATOM 352 CD LYS A 25 0.220 17.582 -10.050 1.00 0.00 C ATOM 353 CE LYS A 25 -1.263 17.762 -9.685 1.00 0.00 C ATOM 354 NZ LYS A 25 -2.082 17.852 -10.928 1.00 0.00 N ATOM 0 H LYS A 25 4.140 17.797 -6.854 1.00 0.00 H new ATOM 0 HA LYS A 25 2.122 19.515 -6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.146 18.780 -7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.285 19.479 -8.591 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.071 17.023 -9.062 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.630 16.516 -8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.584 18.471 -10.565 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.331 16.746 -10.740 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.601 16.924 -9.076 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.393 18.664 -9.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.084 17.974 -10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.766 18.666 -11.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.968 16.980 -11.483 1.00 0.00 H new ATOM 368 N TYR A 26 0.907 16.783 -5.842 1.00 0.00 N ATOM 369 CA TYR A 26 0.855 15.541 -5.111 1.00 0.00 C ATOM 370 C TYR A 26 1.447 14.416 -5.971 1.00 0.00 C ATOM 371 O TYR A 26 0.748 13.738 -6.722 1.00 0.00 O ATOM 372 CB TYR A 26 -0.577 15.217 -4.643 1.00 0.00 C ATOM 373 CG TYR A 26 -1.550 15.416 -5.772 1.00 0.00 C ATOM 374 CD1 TYR A 26 -2.133 16.669 -5.979 1.00 0.00 C ATOM 375 CD2 TYR A 26 -1.864 14.351 -6.616 1.00 0.00 C ATOM 376 CE1 TYR A 26 -3.022 16.853 -7.031 1.00 0.00 C ATOM 377 CE2 TYR A 26 -2.753 14.532 -7.661 1.00 0.00 C ATOM 378 CZ TYR A 26 -3.332 15.780 -7.873 1.00 0.00 C ATOM 379 OH TYR A 26 -4.191 15.955 -8.920 1.00 0.00 O ATOM 0 H TYR A 26 0.029 17.110 -6.244 1.00 0.00 H new ATOM 0 HA TYR A 26 1.456 15.638 -4.207 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.627 14.188 -4.287 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.847 15.858 -3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.893 17.493 -5.323 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.413 13.383 -6.454 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.472 17.821 -7.198 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.997 13.705 -8.312 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.295 15.109 -9.403 1.00 0.00 H new ATOM 389 N LYS A 27 2.729 14.199 -5.788 1.00 0.00 N ATOM 390 CA LYS A 27 3.487 13.134 -6.426 1.00 0.00 C ATOM 391 C LYS A 27 4.677 12.851 -5.567 1.00 0.00 C ATOM 392 O LYS A 27 5.062 13.687 -4.749 1.00 0.00 O ATOM 393 CB LYS A 27 4.008 13.510 -7.843 1.00 0.00 C ATOM 394 CG LYS A 27 2.898 13.544 -8.903 1.00 0.00 C ATOM 395 CD LYS A 27 2.231 12.148 -9.034 1.00 0.00 C ATOM 396 CE LYS A 27 2.601 11.491 -10.376 1.00 0.00 C ATOM 397 NZ LYS A 27 2.314 12.410 -11.500 1.00 0.00 N ATOM 0 H LYS A 27 3.298 14.777 -5.170 1.00 0.00 H new ATOM 0 HA LYS A 27 2.822 12.278 -6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.490 14.487 -7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.770 12.792 -8.146 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.149 14.288 -8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.313 13.847 -9.864 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.550 11.509 -8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.148 12.248 -8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.658 11.224 -10.378 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.038 10.566 -10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.775 11.905 -12.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.757 13.218 -11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.208 12.754 -11.904 1.00 0.00 H new ATOM 411 N LEU A 28 5.332 11.751 -5.826 1.00 0.00 N ATOM 412 CA LEU A 28 6.592 11.495 -5.202 1.00 0.00 C ATOM 413 C LEU A 28 7.619 11.203 -6.277 1.00 0.00 C ATOM 414 O LEU A 28 7.408 10.342 -7.133 1.00 0.00 O ATOM 415 CB LEU A 28 6.487 10.333 -4.209 1.00 0.00 C ATOM 416 CG LEU A 28 7.857 10.049 -3.584 1.00 0.00 C ATOM 417 CD1 LEU A 28 8.247 11.193 -2.650 1.00 0.00 C ATOM 418 CD2 LEU A 28 7.792 8.745 -2.794 1.00 0.00 C ATOM 0 H LEU A 28 5.011 11.023 -6.464 1.00 0.00 H new ATOM 0 HA LEU A 28 6.902 12.373 -4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.766 10.575 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.119 9.442 -4.718 1.00 0.00 H new ATOM 0 HG LEU A 28 8.603 9.962 -4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.222 10.986 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.295 12.124 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.503 11.287 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.766 8.541 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.044 8.834 -2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.520 7.928 -3.462 1.00 0.00 H new ATOM 430 N SER A 29 8.702 11.922 -6.258 1.00 0.00 N ATOM 431 CA SER A 29 9.772 11.690 -7.191 1.00 0.00 C ATOM 432 C SER A 29 10.748 10.686 -6.603 1.00 0.00 C ATOM 433 O SER A 29 10.850 10.555 -5.371 1.00 0.00 O ATOM 434 CB SER A 29 10.459 13.016 -7.513 1.00 0.00 C ATOM 435 OG SER A 29 10.685 13.734 -6.302 1.00 0.00 O ATOM 0 H SER A 29 8.871 12.683 -5.600 1.00 0.00 H new ATOM 0 HA SER A 29 9.380 11.276 -8.120 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.405 12.835 -8.024 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.839 13.605 -8.189 1.00 0.00 H new ATOM 0 HG SER A 29 10.834 13.101 -5.569 1.00 0.00 H new ATOM 441 N LYS A 30 11.519 10.014 -7.443 1.00 0.00 N ATOM 442 CA LYS A 30 12.507 9.089 -6.914 1.00 0.00 C ATOM 443 C LYS A 30 13.597 9.875 -6.206 1.00 0.00 C ATOM 444 O LYS A 30 14.459 9.312 -5.520 1.00 0.00 O ATOM 445 CB LYS A 30 13.108 8.201 -8.009 1.00 0.00 C ATOM 446 CG LYS A 30 12.012 7.613 -8.925 1.00 0.00 C ATOM 447 CD LYS A 30 10.868 6.972 -8.107 1.00 0.00 C ATOM 448 CE LYS A 30 10.863 5.444 -8.292 1.00 0.00 C ATOM 449 NZ LYS A 30 9.970 5.050 -9.427 1.00 0.00 N ATOM 0 H LYS A 30 11.484 10.087 -8.460 1.00 0.00 H new ATOM 0 HA LYS A 30 12.010 8.425 -6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.810 8.783 -8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.675 7.390 -7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.608 8.401 -9.561 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.452 6.865 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.987 7.216 -7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.911 7.386 -8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.877 5.093 -8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.526 4.963 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.339 4.188 -9.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.011 4.870 -9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.939 5.819 -10.127 1.00 0.00 H new ATOM 463 N LYS A 31 13.497 11.187 -6.329 1.00 0.00 N ATOM 464 CA LYS A 31 14.405 12.115 -5.693 1.00 0.00 C ATOM 465 C LYS A 31 14.257 11.975 -4.194 1.00 0.00 C ATOM 466 O LYS A 31 15.229 12.026 -3.441 1.00 0.00 O ATOM 467 CB LYS A 31 13.931 13.523 -6.044 1.00 0.00 C ATOM 468 CG LYS A 31 13.973 13.734 -7.545 1.00 0.00 C ATOM 469 CD LYS A 31 13.421 15.119 -7.872 1.00 0.00 C ATOM 470 CE LYS A 31 13.284 15.252 -9.382 1.00 0.00 C ATOM 471 NZ LYS A 31 14.633 15.341 -10.003 1.00 0.00 N ATOM 0 H LYS A 31 12.770 11.641 -6.883 1.00 0.00 H new ATOM 0 HA LYS A 31 15.431 11.929 -6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.916 13.674 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.562 14.261 -5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.996 13.642 -7.909 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.385 12.967 -8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.453 15.262 -7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.086 15.891 -7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.744 14.395 -9.784 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.701 16.140 -9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.537 15.600 -11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.195 16.064 -9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.111 14.421 -9.928 1.00 0.00 H new ATOM 485 N GLU A 32 13.004 11.905 -3.786 1.00 0.00 N ATOM 486 CA GLU A 32 12.611 11.901 -2.395 1.00 0.00 C ATOM 487 C GLU A 32 12.322 10.487 -1.912 1.00 0.00 C ATOM 488 O GLU A 32 12.370 10.200 -0.710 1.00 0.00 O ATOM 489 CB GLU A 32 11.359 12.765 -2.270 1.00 0.00 C ATOM 490 CG GLU A 32 11.709 14.214 -2.628 1.00 0.00 C ATOM 491 CD GLU A 32 12.606 14.795 -1.560 1.00 0.00 C ATOM 492 OE1 GLU A 32 12.222 14.750 -0.407 1.00 0.00 O ATOM 493 OE2 GLU A 32 13.665 15.272 -1.900 1.00 0.00 O ATOM 0 H GLU A 32 12.215 11.848 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 32 13.419 12.295 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.578 12.393 -2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.967 12.713 -1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.208 14.250 -3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.799 14.808 -2.716 1.00 0.00 H new ATOM 500 N LEU A 33 11.961 9.617 -2.850 1.00 0.00 N ATOM 501 CA LEU A 33 11.569 8.255 -2.511 1.00 0.00 C ATOM 502 C LEU A 33 12.715 7.540 -1.829 1.00 0.00 C ATOM 503 O LEU A 33 12.532 6.929 -0.776 1.00 0.00 O ATOM 504 CB LEU A 33 11.135 7.491 -3.782 1.00 0.00 C ATOM 505 CG LEU A 33 10.688 6.044 -3.461 1.00 0.00 C ATOM 506 CD1 LEU A 33 11.913 5.127 -3.342 1.00 0.00 C ATOM 507 CD2 LEU A 33 9.861 5.987 -2.164 1.00 0.00 C ATOM 0 H LEU A 33 11.932 9.830 -3.847 1.00 0.00 H new ATOM 0 HA LEU A 33 10.723 8.292 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.317 8.025 -4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.962 7.467 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 33 10.057 5.699 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.587 4.112 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.463 5.131 -4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.560 5.487 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.563 4.957 -1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.462 6.356 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.972 6.608 -2.272 1.00 0.00 H new ATOM 519 N LYS A 34 13.915 7.711 -2.362 1.00 0.00 N ATOM 520 CA LYS A 34 15.087 7.119 -1.738 1.00 0.00 C ATOM 521 C LYS A 34 15.278 7.695 -0.348 1.00 0.00 C ATOM 522 O LYS A 34 15.526 6.961 0.605 1.00 0.00 O ATOM 523 CB LYS A 34 16.341 7.397 -2.576 1.00 0.00 C ATOM 524 CG LYS A 34 16.282 6.660 -3.931 1.00 0.00 C ATOM 525 CD LYS A 34 16.456 5.143 -3.727 1.00 0.00 C ATOM 526 CE LYS A 34 16.457 4.445 -5.099 1.00 0.00 C ATOM 527 NZ LYS A 34 16.772 3.003 -4.941 1.00 0.00 N ATOM 0 H LYS A 34 14.101 8.245 -3.211 1.00 0.00 H new ATOM 0 HA LYS A 34 14.934 6.042 -1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.437 8.469 -2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 34 17.227 7.081 -2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.328 6.860 -4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.064 7.036 -4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.389 4.939 -3.201 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.649 4.752 -3.107 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.484 4.562 -5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.191 4.915 -5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.770 2.543 -5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.711 2.898 -4.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.057 2.556 -4.333 1.00 0.00 H new ATOM 541 N GLU A 35 15.126 9.008 -0.231 1.00 0.00 N ATOM 542 CA GLU A 35 15.291 9.684 1.049 1.00 0.00 C ATOM 543 C GLU A 35 14.300 9.188 2.086 1.00 0.00 C ATOM 544 O GLU A 35 14.697 8.708 3.154 1.00 0.00 O ATOM 545 CB GLU A 35 15.107 11.201 0.874 1.00 0.00 C ATOM 546 CG GLU A 35 16.319 11.807 0.154 1.00 0.00 C ATOM 547 CD GLU A 35 17.539 11.754 1.052 1.00 0.00 C ATOM 548 OE1 GLU A 35 17.447 12.221 2.173 1.00 0.00 O ATOM 549 OE2 GLU A 35 18.548 11.257 0.613 1.00 0.00 O ATOM 0 H GLU A 35 14.889 9.626 -1.007 1.00 0.00 H new ATOM 0 HA GLU A 35 16.299 9.462 1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.200 11.400 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.981 11.673 1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 35 16.514 11.261 -0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.107 12.839 -0.125 1.00 0.00 H new ATOM 556 N LEU A 36 13.017 9.340 1.810 1.00 0.00 N ATOM 557 CA LEU A 36 12.022 8.972 2.797 1.00 0.00 C ATOM 558 C LEU A 36 12.005 7.481 3.049 1.00 0.00 C ATOM 559 O LEU A 36 11.864 7.043 4.187 1.00 0.00 O ATOM 560 CB LEU A 36 10.623 9.495 2.445 1.00 0.00 C ATOM 561 CG LEU A 36 10.127 8.887 1.131 1.00 0.00 C ATOM 562 CD1 LEU A 36 9.209 7.700 1.426 1.00 0.00 C ATOM 563 CD2 LEU A 36 9.340 9.940 0.360 1.00 0.00 C ATOM 0 H LEU A 36 12.647 9.706 0.933 1.00 0.00 H new ATOM 0 HA LEU A 36 12.317 9.460 3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.927 9.252 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.647 10.582 2.361 1.00 0.00 H new ATOM 0 HG LEU A 36 10.981 8.551 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.858 7.270 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.759 6.945 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.355 8.038 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.983 9.514 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.489 10.267 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.984 10.793 0.149 1.00 0.00 H new ATOM 575 N LEU A 37 12.142 6.699 1.991 1.00 0.00 N ATOM 576 CA LEU A 37 12.077 5.253 2.135 1.00 0.00 C ATOM 577 C LEU A 37 13.194 4.761 3.037 1.00 0.00 C ATOM 578 O LEU A 37 12.941 4.046 4.007 1.00 0.00 O ATOM 579 CB LEU A 37 12.117 4.556 0.749 1.00 0.00 C ATOM 580 CG LEU A 37 12.046 3.019 0.884 1.00 0.00 C ATOM 581 CD1 LEU A 37 13.414 2.446 1.268 1.00 0.00 C ATOM 582 CD2 LEU A 37 11.004 2.616 1.928 1.00 0.00 C ATOM 0 H LEU A 37 12.296 7.032 1.039 1.00 0.00 H new ATOM 0 HA LEU A 37 11.128 4.993 2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.284 4.907 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.033 4.834 0.227 1.00 0.00 H new ATOM 0 HG LEU A 37 11.752 2.610 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.342 1.362 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.143 2.699 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.731 2.869 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.970 1.529 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.273 3.042 2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.025 2.989 1.627 1.00 0.00 H new ATOM 594 N GLN A 38 14.407 5.231 2.800 1.00 0.00 N ATOM 595 CA GLN A 38 15.501 4.869 3.680 1.00 0.00 C ATOM 596 C GLN A 38 15.303 5.488 5.051 1.00 0.00 C ATOM 597 O GLN A 38 15.594 4.869 6.080 1.00 0.00 O ATOM 598 CB GLN A 38 16.869 5.249 3.080 1.00 0.00 C ATOM 599 CG GLN A 38 17.087 6.770 3.117 1.00 0.00 C ATOM 600 CD GLN A 38 18.430 7.125 2.477 1.00 0.00 C ATOM 601 OE1 GLN A 38 19.115 6.251 1.930 1.00 0.00 O ATOM 602 NE2 GLN A 38 18.852 8.348 2.509 1.00 0.00 N ATOM 0 H GLN A 38 14.654 5.848 2.026 1.00 0.00 H new ATOM 0 HA GLN A 38 15.498 3.785 3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 38 17.664 4.751 3.635 1.00 0.00 H new ATOM 0 HB3 GLN A 38 16.929 4.895 2.051 1.00 0.00 H new ATOM 0 HG2 GLN A 38 16.279 7.274 2.587 1.00 0.00 H new ATOM 0 HG3 GLN A 38 17.062 7.124 4.148 1.00 0.00 H new ATOM 0 HE21 GLN A 38 18.289 9.070 2.959 1.00 0.00 H new ATOM 0 HE22 GLN A 38 19.747 8.590 2.084 1.00 0.00 H new ATOM 611 N THR A 39 14.866 6.732 5.067 1.00 0.00 N ATOM 612 CA THR A 39 14.674 7.445 6.310 1.00 0.00 C ATOM 613 C THR A 39 13.590 6.802 7.169 1.00 0.00 C ATOM 614 O THR A 39 13.768 6.619 8.376 1.00 0.00 O ATOM 615 CB THR A 39 14.275 8.893 6.004 1.00 0.00 C ATOM 616 OG1 THR A 39 15.298 9.536 5.257 1.00 0.00 O ATOM 617 CG2 THR A 39 14.026 9.660 7.296 1.00 0.00 C ATOM 0 H THR A 39 14.637 7.269 4.230 1.00 0.00 H new ATOM 0 HA THR A 39 15.612 7.412 6.865 1.00 0.00 H new ATOM 0 HB THR A 39 13.357 8.880 5.417 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.070 9.515 4.304 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.744 10.686 7.061 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.222 9.181 7.854 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.934 9.662 7.899 1.00 0.00 H new ATOM 625 N GLU A 40 12.423 6.602 6.578 1.00 0.00 N ATOM 626 CA GLU A 40 11.267 6.179 7.342 1.00 0.00 C ATOM 627 C GLU A 40 11.325 4.702 7.709 1.00 0.00 C ATOM 628 O GLU A 40 10.945 4.311 8.816 1.00 0.00 O ATOM 629 CB GLU A 40 9.976 6.507 6.585 1.00 0.00 C ATOM 630 CG GLU A 40 9.912 8.027 6.305 1.00 0.00 C ATOM 631 CD GLU A 40 9.952 8.828 7.594 1.00 0.00 C ATOM 632 OE1 GLU A 40 9.161 8.559 8.464 1.00 0.00 O ATOM 633 OE2 GLU A 40 10.788 9.696 7.697 1.00 0.00 O ATOM 0 H GLU A 40 12.254 6.725 5.580 1.00 0.00 H new ATOM 0 HA GLU A 40 11.275 6.736 8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.941 5.952 5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.110 6.198 7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.748 8.317 5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.998 8.260 5.758 1.00 0.00 H new ATOM 640 N LEU A 41 11.763 3.883 6.765 1.00 0.00 N ATOM 641 CA LEU A 41 11.819 2.429 6.947 1.00 0.00 C ATOM 642 C LEU A 41 13.193 2.000 7.430 1.00 0.00 C ATOM 643 O LEU A 41 13.805 1.080 6.863 1.00 0.00 O ATOM 644 CB LEU A 41 11.483 1.709 5.640 1.00 0.00 C ATOM 645 CG LEU A 41 9.957 1.641 5.448 1.00 0.00 C ATOM 646 CD1 LEU A 41 9.389 3.039 5.188 1.00 0.00 C ATOM 647 CD2 LEU A 41 9.629 0.722 4.265 1.00 0.00 C ATOM 0 H LEU A 41 12.090 4.200 5.852 1.00 0.00 H new ATOM 0 HA LEU A 41 11.080 2.157 7.701 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.940 2.233 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.901 0.702 5.653 1.00 0.00 H new ATOM 0 HG LEU A 41 9.505 1.243 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.309 2.974 5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.611 3.686 6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.842 3.454 4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.548 0.674 4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.091 1.116 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.014 -0.278 4.464 1.00 0.00 H new ATOM 659 N SER A 42 13.721 2.714 8.399 1.00 0.00 N ATOM 660 CA SER A 42 15.074 2.475 8.841 1.00 0.00 C ATOM 661 C SER A 42 15.241 1.006 9.266 1.00 0.00 C ATOM 662 O SER A 42 16.280 0.387 9.007 1.00 0.00 O ATOM 663 CB SER A 42 15.385 3.389 10.025 1.00 0.00 C ATOM 664 OG SER A 42 14.609 4.596 9.916 1.00 0.00 O ATOM 0 H SER A 42 13.235 3.462 8.894 1.00 0.00 H new ATOM 0 HA SER A 42 15.762 2.685 8.022 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.156 2.880 10.961 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.448 3.628 10.044 1.00 0.00 H new ATOM 0 HG SER A 42 14.769 5.010 9.042 1.00 0.00 H new ATOM 670 N GLY A 43 14.214 0.446 9.890 1.00 0.00 N ATOM 671 CA GLY A 43 14.257 -0.943 10.344 1.00 0.00 C ATOM 672 C GLY A 43 14.293 -1.916 9.173 1.00 0.00 C ATOM 673 O GLY A 43 15.154 -2.809 9.115 1.00 0.00 O ATOM 0 H GLY A 43 13.340 0.930 10.095 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.136 -1.094 10.970 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.385 -1.151 10.964 1.00 0.00 H new ATOM 677 N PHE A 44 13.413 -1.699 8.201 1.00 0.00 N ATOM 678 CA PHE A 44 13.386 -2.538 7.006 1.00 0.00 C ATOM 679 C PHE A 44 14.633 -2.293 6.207 1.00 0.00 C ATOM 680 O PHE A 44 15.279 -3.219 5.736 1.00 0.00 O ATOM 681 CB PHE A 44 12.144 -2.252 6.154 1.00 0.00 C ATOM 682 CG PHE A 44 10.908 -2.798 6.835 1.00 0.00 C ATOM 683 CD1 PHE A 44 10.507 -4.122 6.616 1.00 0.00 C ATOM 684 CD2 PHE A 44 10.160 -1.977 7.675 1.00 0.00 C ATOM 685 CE1 PHE A 44 9.358 -4.620 7.246 1.00 0.00 C ATOM 686 CE2 PHE A 44 9.011 -2.474 8.301 1.00 0.00 C ATOM 687 CZ PHE A 44 8.613 -3.794 8.088 1.00 0.00 C ATOM 0 H PHE A 44 12.714 -0.956 8.215 1.00 0.00 H new ATOM 0 HA PHE A 44 13.342 -3.583 7.311 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.039 -1.178 6.000 1.00 0.00 H new ATOM 0 HB3 PHE A 44 12.257 -2.706 5.169 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.083 -4.759 5.962 1.00 0.00 H new ATOM 0 HD2 PHE A 44 10.467 -0.955 7.844 1.00 0.00 H new ATOM 0 HE1 PHE A 44 9.050 -5.642 7.080 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.431 -1.834 8.950 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.728 -4.176 8.575 1.00 0.00 H new ATOM 697 N LEU A 45 15.029 -1.041 6.163 1.00 0.00 N ATOM 698 CA LEU A 45 16.249 -0.656 5.502 1.00 0.00 C ATOM 699 C LEU A 45 17.443 -1.343 6.150 1.00 0.00 C ATOM 700 O LEU A 45 18.309 -1.887 5.464 1.00 0.00 O ATOM 701 CB LEU A 45 16.405 0.869 5.566 1.00 0.00 C ATOM 702 CG LEU A 45 17.784 1.259 5.051 1.00 0.00 C ATOM 703 CD1 LEU A 45 17.954 0.826 3.588 1.00 0.00 C ATOM 704 CD2 LEU A 45 17.987 2.763 5.186 1.00 0.00 C ATOM 0 H LEU A 45 14.515 -0.266 6.583 1.00 0.00 H new ATOM 0 HA LEU A 45 16.205 -0.966 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.632 1.350 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 45 16.276 1.216 6.591 1.00 0.00 H new ATOM 0 HG LEU A 45 18.537 0.748 5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 45 18.945 1.113 3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 45 17.841 -0.256 3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.196 1.313 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.976 3.031 4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 45 17.227 3.286 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 45 17.903 3.049 6.234 1.00 0.00 H new ATOM 716 N ASP A 46 17.469 -1.350 7.462 1.00 0.00 N ATOM 717 CA ASP A 46 18.537 -2.022 8.191 1.00 0.00 C ATOM 718 C ASP A 46 18.567 -3.503 7.847 1.00 0.00 C ATOM 719 O ASP A 46 19.622 -4.058 7.539 1.00 0.00 O ATOM 720 CB ASP A 46 18.319 -1.844 9.696 1.00 0.00 C ATOM 721 CG ASP A 46 19.332 -2.641 10.474 1.00 0.00 C ATOM 722 OD1 ASP A 46 20.485 -2.285 10.447 1.00 0.00 O ATOM 723 OD2 ASP A 46 18.937 -3.588 11.106 1.00 0.00 O ATOM 0 H ASP A 46 16.768 -0.901 8.052 1.00 0.00 H new ATOM 0 HA ASP A 46 19.491 -1.580 7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 46 18.398 -0.789 9.959 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.312 -2.164 9.964 1.00 0.00 H new ATOM 728 N ALA A 47 17.404 -4.132 7.887 1.00 0.00 N ATOM 729 CA ALA A 47 17.285 -5.551 7.566 1.00 0.00 C ATOM 730 C ALA A 47 17.494 -5.812 6.080 1.00 0.00 C ATOM 731 O ALA A 47 18.015 -6.851 5.694 1.00 0.00 O ATOM 732 CB ALA A 47 15.922 -6.088 8.002 1.00 0.00 C ATOM 0 H ALA A 47 16.524 -3.683 8.139 1.00 0.00 H new ATOM 0 HA ALA A 47 18.069 -6.074 8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.852 -7.147 7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 47 15.807 -5.959 9.078 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.133 -5.542 7.485 1.00 0.00 H new ATOM 738 N GLN A 48 16.982 -4.919 5.251 1.00 0.00 N ATOM 739 CA GLN A 48 16.997 -5.108 3.800 1.00 0.00 C ATOM 740 C GLN A 48 18.358 -4.859 3.165 1.00 0.00 C ATOM 741 O GLN A 48 18.476 -4.828 1.937 1.00 0.00 O ATOM 742 CB GLN A 48 15.906 -4.266 3.121 1.00 0.00 C ATOM 743 CG GLN A 48 14.536 -4.853 3.475 1.00 0.00 C ATOM 744 CD GLN A 48 14.440 -6.264 2.916 1.00 0.00 C ATOM 745 OE1 GLN A 48 14.446 -7.268 3.724 1.00 0.00 O flip ATOM 746 NE2 GLN A 48 14.390 -6.448 1.702 1.00 0.00 N flip ATOM 0 H GLN A 48 16.547 -4.048 5.555 1.00 0.00 H new ATOM 0 HA GLN A 48 16.779 -6.163 3.634 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.969 -3.229 3.452 1.00 0.00 H new ATOM 0 HB3 GLN A 48 16.048 -4.265 2.040 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.401 -4.867 4.557 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.742 -4.230 3.063 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.385 -5.651 1.065 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.353 -7.397 1.331 1.00 0.00 H new ATOM 755 N LYS A 49 19.382 -4.713 3.973 1.00 0.00 N ATOM 756 CA LYS A 49 20.725 -4.533 3.437 1.00 0.00 C ATOM 757 C LYS A 49 21.213 -5.757 2.653 1.00 0.00 C ATOM 758 O LYS A 49 21.862 -5.614 1.610 1.00 0.00 O ATOM 759 CB LYS A 49 21.724 -4.166 4.539 1.00 0.00 C ATOM 760 CG LYS A 49 21.503 -2.719 4.983 1.00 0.00 C ATOM 761 CD LYS A 49 22.500 -2.373 6.095 1.00 0.00 C ATOM 762 CE LYS A 49 22.452 -0.868 6.391 1.00 0.00 C ATOM 763 NZ LYS A 49 21.039 -0.394 6.410 1.00 0.00 N ATOM 0 H LYS A 49 19.321 -4.714 4.991 1.00 0.00 H new ATOM 0 HA LYS A 49 20.666 -3.701 2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.604 -4.838 5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.743 -4.292 4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 49 21.634 -2.043 4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.482 -2.588 5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 49 22.262 -2.937 6.997 1.00 0.00 H new ATOM 0 HD3 LYS A 49 23.507 -2.661 5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 49 22.925 -0.663 7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 49 23.016 -0.323 5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.844 0.150 5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 20.399 -1.212 6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 20.887 0.211 7.242 1.00 0.00 H new ATOM 777 N ASP A 50 20.955 -6.949 3.180 1.00 0.00 N ATOM 778 CA ASP A 50 21.432 -8.190 2.545 1.00 0.00 C ATOM 779 C ASP A 50 20.281 -9.096 2.109 1.00 0.00 C ATOM 780 O ASP A 50 20.361 -10.324 2.232 1.00 0.00 O ATOM 781 CB ASP A 50 22.414 -8.947 3.461 1.00 0.00 C ATOM 782 CG ASP A 50 23.334 -9.832 2.643 1.00 0.00 C ATOM 783 OD1 ASP A 50 23.729 -9.422 1.567 1.00 0.00 O ATOM 784 OD2 ASP A 50 23.641 -10.908 3.099 1.00 0.00 O ATOM 0 H ASP A 50 20.423 -7.091 4.039 1.00 0.00 H new ATOM 0 HA ASP A 50 21.968 -7.895 1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 50 23.004 -8.235 4.038 1.00 0.00 H new ATOM 0 HB3 ASP A 50 21.858 -9.554 4.176 1.00 0.00 H new ATOM 789 N VAL A 51 19.210 -8.495 1.624 1.00 0.00 N ATOM 790 CA VAL A 51 18.041 -9.252 1.192 1.00 0.00 C ATOM 791 C VAL A 51 17.836 -9.069 -0.312 1.00 0.00 C ATOM 792 O VAL A 51 18.054 -7.982 -0.843 1.00 0.00 O ATOM 793 CB VAL A 51 16.794 -8.805 1.978 1.00 0.00 C ATOM 794 CG1 VAL A 51 15.530 -9.451 1.399 1.00 0.00 C ATOM 795 CG2 VAL A 51 16.944 -9.187 3.460 1.00 0.00 C ATOM 0 H VAL A 51 19.122 -7.484 1.518 1.00 0.00 H new ATOM 0 HA VAL A 51 18.203 -10.311 1.394 1.00 0.00 H new ATOM 0 HB VAL A 51 16.701 -7.722 1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.660 -9.123 1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 51 15.415 -9.154 0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 51 15.615 -10.536 1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 51 16.058 -8.868 4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 51 17.055 -10.268 3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.825 -8.697 3.875 1.00 0.00 H new ATOM 805 N ASP A 52 17.547 -10.171 -0.999 1.00 0.00 N ATOM 806 CA ASP A 52 17.411 -10.183 -2.464 1.00 0.00 C ATOM 807 C ASP A 52 16.270 -9.290 -2.923 1.00 0.00 C ATOM 808 O ASP A 52 16.318 -8.722 -4.031 1.00 0.00 O ATOM 809 CB ASP A 52 17.137 -11.609 -2.951 1.00 0.00 C ATOM 810 CG ASP A 52 17.018 -11.642 -4.470 1.00 0.00 C ATOM 811 OD1 ASP A 52 18.013 -11.419 -5.125 1.00 0.00 O ATOM 812 OD2 ASP A 52 15.941 -11.898 -4.962 1.00 0.00 O ATOM 0 H ASP A 52 17.400 -11.081 -0.563 1.00 0.00 H new ATOM 0 HA ASP A 52 18.345 -9.809 -2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 52 17.942 -12.270 -2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.218 -11.983 -2.500 1.00 0.00 H new ATOM 817 N ALA A 53 15.192 -9.298 -2.150 1.00 0.00 N ATOM 818 CA ALA A 53 13.952 -8.620 -2.526 1.00 0.00 C ATOM 819 C ALA A 53 14.152 -7.133 -2.761 1.00 0.00 C ATOM 820 O ALA A 53 13.562 -6.566 -3.681 1.00 0.00 O ATOM 821 CB ALA A 53 12.880 -8.816 -1.444 1.00 0.00 C ATOM 0 H ALA A 53 15.149 -9.772 -1.248 1.00 0.00 H new ATOM 0 HA ALA A 53 13.625 -9.070 -3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.965 -8.304 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.677 -9.880 -1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.236 -8.403 -0.500 1.00 0.00 H new ATOM 827 N VAL A 54 14.945 -6.490 -1.915 1.00 0.00 N ATOM 828 CA VAL A 54 15.099 -5.049 -2.010 1.00 0.00 C ATOM 829 C VAL A 54 15.536 -4.650 -3.410 1.00 0.00 C ATOM 830 O VAL A 54 14.962 -3.748 -4.000 1.00 0.00 O ATOM 831 CB VAL A 54 16.086 -4.518 -0.947 1.00 0.00 C ATOM 832 CG1 VAL A 54 17.483 -5.107 -1.174 1.00 0.00 C ATOM 833 CG2 VAL A 54 16.159 -2.984 -1.020 1.00 0.00 C ATOM 0 H VAL A 54 15.481 -6.934 -1.170 1.00 0.00 H new ATOM 0 HA VAL A 54 14.129 -4.593 -1.812 1.00 0.00 H new ATOM 0 HB VAL A 54 15.729 -4.819 0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 54 18.167 -4.723 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 54 17.436 -6.194 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 54 17.841 -4.823 -2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 54 16.857 -2.617 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 54 16.501 -2.683 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 54 15.171 -2.563 -0.834 1.00 0.00 H new ATOM 843 N ASP A 55 16.471 -5.395 -3.972 1.00 0.00 N ATOM 844 CA ASP A 55 16.929 -5.141 -5.328 1.00 0.00 C ATOM 845 C ASP A 55 15.782 -5.224 -6.310 1.00 0.00 C ATOM 846 O ASP A 55 15.605 -4.344 -7.153 1.00 0.00 O ATOM 847 CB ASP A 55 17.988 -6.174 -5.709 1.00 0.00 C ATOM 848 CG ASP A 55 18.307 -6.074 -7.184 1.00 0.00 C ATOM 849 OD1 ASP A 55 18.763 -5.042 -7.612 1.00 0.00 O ATOM 850 OD2 ASP A 55 18.084 -7.045 -7.876 1.00 0.00 O ATOM 0 H ASP A 55 16.929 -6.181 -3.511 1.00 0.00 H new ATOM 0 HA ASP A 55 17.351 -4.137 -5.366 1.00 0.00 H new ATOM 0 HB2 ASP A 55 18.892 -6.012 -5.122 1.00 0.00 H new ATOM 0 HB3 ASP A 55 17.630 -7.176 -5.474 1.00 0.00 H new ATOM 855 N LYS A 56 15.024 -6.293 -6.216 1.00 0.00 N ATOM 856 CA LYS A 56 13.921 -6.520 -7.130 1.00 0.00 C ATOM 857 C LYS A 56 12.839 -5.474 -6.923 1.00 0.00 C ATOM 858 O LYS A 56 12.342 -4.876 -7.872 1.00 0.00 O ATOM 859 CB LYS A 56 13.343 -7.925 -6.922 1.00 0.00 C ATOM 860 CG LYS A 56 14.474 -8.922 -6.659 1.00 0.00 C ATOM 861 CD LYS A 56 15.494 -8.853 -7.787 1.00 0.00 C ATOM 862 CE LYS A 56 16.663 -9.796 -7.480 1.00 0.00 C ATOM 863 NZ LYS A 56 17.365 -9.328 -6.252 1.00 0.00 N ATOM 0 H LYS A 56 15.150 -7.023 -5.514 1.00 0.00 H new ATOM 0 HA LYS A 56 14.293 -6.439 -8.151 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.648 -7.921 -6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.777 -8.228 -7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 56 14.955 -8.698 -5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.071 -9.932 -6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.027 -9.132 -8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.857 -7.832 -7.901 1.00 0.00 H new ATOM 0 HE2 LYS A 56 16.297 -10.813 -7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 56 17.356 -9.821 -8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 17.945 -10.101 -5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.977 -8.521 -6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 16.664 -9.035 -5.542 1.00 0.00 H new ATOM 877 N VAL A 57 12.543 -5.206 -5.667 1.00 0.00 N ATOM 878 CA VAL A 57 11.557 -4.205 -5.308 1.00 0.00 C ATOM 879 C VAL A 57 12.068 -2.838 -5.723 1.00 0.00 C ATOM 880 O VAL A 57 11.374 -2.059 -6.386 1.00 0.00 O ATOM 881 CB VAL A 57 11.293 -4.264 -3.794 1.00 0.00 C ATOM 882 CG1 VAL A 57 10.335 -3.153 -3.388 1.00 0.00 C ATOM 883 CG2 VAL A 57 10.674 -5.623 -3.434 1.00 0.00 C ATOM 0 H VAL A 57 12.976 -5.673 -4.870 1.00 0.00 H new ATOM 0 HA VAL A 57 10.616 -4.397 -5.824 1.00 0.00 H new ATOM 0 HB VAL A 57 12.237 -4.136 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.154 -3.203 -2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.772 -2.186 -3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.392 -3.273 -3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.487 -5.665 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.734 -5.748 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.361 -6.421 -3.714 1.00 0.00 H new ATOM 893 N MET A 58 13.326 -2.612 -5.427 1.00 0.00 N ATOM 894 CA MET A 58 14.003 -1.417 -5.829 1.00 0.00 C ATOM 895 C MET A 58 14.013 -1.322 -7.345 1.00 0.00 C ATOM 896 O MET A 58 13.806 -0.239 -7.913 1.00 0.00 O ATOM 897 CB MET A 58 15.433 -1.420 -5.273 1.00 0.00 C ATOM 898 CG MET A 58 16.188 -0.203 -5.777 1.00 0.00 C ATOM 899 SD MET A 58 17.832 -0.144 -5.013 1.00 0.00 S ATOM 900 CE MET A 58 18.678 -1.251 -6.177 1.00 0.00 C ATOM 0 H MET A 58 13.907 -3.261 -4.896 1.00 0.00 H new ATOM 0 HA MET A 58 13.480 -0.547 -5.431 1.00 0.00 H new ATOM 0 HB2 MET A 58 15.408 -1.417 -4.183 1.00 0.00 H new ATOM 0 HB3 MET A 58 15.949 -2.330 -5.578 1.00 0.00 H new ATOM 0 HG2 MET A 58 16.282 -0.245 -6.862 1.00 0.00 H new ATOM 0 HG3 MET A 58 15.633 0.705 -5.540 1.00 0.00 H new ATOM 0 HE1 MET A 58 19.361 -1.901 -5.630 1.00 0.00 H new ATOM 0 HE2 MET A 58 17.941 -1.859 -6.702 1.00 0.00 H new ATOM 0 HE3 MET A 58 19.241 -0.659 -6.899 1.00 0.00 H new ATOM 910 N LYS A 59 14.205 -2.455 -7.998 1.00 0.00 N ATOM 911 CA LYS A 59 14.223 -2.492 -9.442 1.00 0.00 C ATOM 912 C LYS A 59 12.900 -1.997 -9.973 1.00 0.00 C ATOM 913 O LYS A 59 12.867 -1.184 -10.896 1.00 0.00 O ATOM 914 CB LYS A 59 14.484 -3.918 -9.962 1.00 0.00 C ATOM 915 CG LYS A 59 14.601 -3.908 -11.501 1.00 0.00 C ATOM 916 CD LYS A 59 15.987 -3.404 -11.939 1.00 0.00 C ATOM 917 CE LYS A 59 16.000 -1.879 -12.169 1.00 0.00 C ATOM 918 NZ LYS A 59 14.652 -1.371 -12.564 1.00 0.00 N ATOM 0 H LYS A 59 14.350 -3.359 -7.548 1.00 0.00 H new ATOM 0 HA LYS A 59 15.031 -1.849 -9.790 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.400 -4.312 -9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.674 -4.579 -9.655 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.435 -4.913 -11.890 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.826 -3.270 -11.925 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.724 -3.662 -11.179 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.284 -3.912 -12.857 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.327 -1.376 -11.259 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.724 -1.634 -12.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.743 -0.411 -12.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.242 -1.999 -13.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.031 -1.349 -11.730 1.00 0.00 H new ATOM 932 N GLU A 60 11.813 -2.473 -9.377 1.00 0.00 N ATOM 933 CA GLU A 60 10.479 -2.096 -9.814 1.00 0.00 C ATOM 934 C GLU A 60 10.274 -0.598 -9.662 1.00 0.00 C ATOM 935 O GLU A 60 9.830 0.080 -10.590 1.00 0.00 O ATOM 936 CB GLU A 60 9.429 -2.829 -8.981 1.00 0.00 C ATOM 937 CG GLU A 60 9.458 -4.334 -9.288 1.00 0.00 C ATOM 938 CD GLU A 60 8.448 -5.077 -8.426 1.00 0.00 C ATOM 939 OE1 GLU A 60 7.600 -4.432 -7.841 1.00 0.00 O ATOM 940 OE2 GLU A 60 8.514 -6.281 -8.383 1.00 0.00 O ATOM 0 H GLU A 60 11.832 -3.121 -8.590 1.00 0.00 H new ATOM 0 HA GLU A 60 10.373 -2.370 -10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.617 -2.664 -7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.439 -2.426 -9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.236 -4.500 -10.342 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.458 -4.728 -9.107 1.00 0.00 H new ATOM 947 N LEU A 61 10.709 -0.068 -8.536 1.00 0.00 N ATOM 948 CA LEU A 61 10.665 1.370 -8.324 1.00 0.00 C ATOM 949 C LEU A 61 11.546 2.042 -9.357 1.00 0.00 C ATOM 950 O LEU A 61 11.173 3.064 -9.951 1.00 0.00 O ATOM 951 CB LEU A 61 11.128 1.733 -6.901 1.00 0.00 C ATOM 952 CG LEU A 61 9.968 1.613 -5.884 1.00 0.00 C ATOM 953 CD1 LEU A 61 9.146 2.899 -5.885 1.00 0.00 C ATOM 954 CD2 LEU A 61 9.055 0.423 -6.223 1.00 0.00 C ATOM 0 H LEU A 61 11.094 -0.604 -7.758 1.00 0.00 H new ATOM 0 HA LEU A 61 9.638 1.718 -8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.945 1.075 -6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.519 2.751 -6.892 1.00 0.00 H new ATOM 0 HG LEU A 61 10.398 1.449 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.330 2.810 -5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.783 3.738 -5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.736 3.068 -6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.249 0.363 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.633 0.560 -7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.636 -0.499 -6.199 1.00 0.00 H new ATOM 966 N ASP A 62 12.688 1.424 -9.618 1.00 0.00 N ATOM 967 CA ASP A 62 13.616 1.911 -10.630 1.00 0.00 C ATOM 968 C ASP A 62 12.984 1.904 -12.015 1.00 0.00 C ATOM 969 O ASP A 62 13.171 2.849 -12.780 1.00 0.00 O ATOM 970 CB ASP A 62 14.903 1.088 -10.638 1.00 0.00 C ATOM 971 CG ASP A 62 15.754 1.485 -11.820 1.00 0.00 C ATOM 972 OD1 ASP A 62 16.508 2.424 -11.699 1.00 0.00 O ATOM 973 OD2 ASP A 62 15.639 0.836 -12.835 1.00 0.00 O ATOM 0 H ASP A 62 12.997 0.578 -9.139 1.00 0.00 H new ATOM 0 HA ASP A 62 13.862 2.941 -10.371 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.454 1.248 -9.711 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.666 0.025 -10.689 1.00 0.00 H new ATOM 978 N GLU A 63 12.210 0.861 -12.327 1.00 0.00 N ATOM 979 CA GLU A 63 11.549 0.786 -13.638 1.00 0.00 C ATOM 980 C GLU A 63 10.715 2.033 -13.817 1.00 0.00 C ATOM 981 O GLU A 63 10.727 2.668 -14.867 1.00 0.00 O ATOM 982 CB GLU A 63 10.602 -0.422 -13.697 1.00 0.00 C ATOM 983 CG GLU A 63 11.376 -1.737 -13.564 1.00 0.00 C ATOM 984 CD GLU A 63 12.315 -1.942 -14.735 1.00 0.00 C ATOM 985 OE1 GLU A 63 11.867 -1.858 -15.853 1.00 0.00 O ATOM 986 OE2 GLU A 63 13.475 -2.191 -14.495 1.00 0.00 O ATOM 0 H GLU A 63 12.026 0.072 -11.707 1.00 0.00 H new ATOM 0 HA GLU A 63 12.308 0.691 -14.414 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.864 -0.349 -12.898 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.054 -0.413 -14.639 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.945 -1.734 -12.634 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.675 -2.570 -13.506 1.00 0.00 H new ATOM 993 N ASN A 64 10.075 2.426 -12.738 1.00 0.00 N ATOM 994 CA ASN A 64 9.290 3.639 -12.708 1.00 0.00 C ATOM 995 C ASN A 64 10.133 4.813 -12.264 1.00 0.00 C ATOM 996 O ASN A 64 9.614 5.856 -11.861 1.00 0.00 O ATOM 997 CB ASN A 64 8.054 3.476 -11.828 1.00 0.00 C ATOM 998 CG ASN A 64 6.831 3.194 -12.694 1.00 0.00 C ATOM 999 OD1 ASN A 64 6.964 2.850 -13.876 1.00 0.00 O ATOM 1000 ND2 ASN A 64 5.653 3.324 -12.191 1.00 0.00 N ATOM 0 H ASN A 64 10.084 1.913 -11.856 1.00 0.00 H new ATOM 0 HA ASN A 64 8.943 3.841 -13.721 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.206 2.660 -11.121 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.894 4.380 -11.241 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.830 3.144 -12.766 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.543 3.607 -11.217 1.00 0.00 H new ATOM 1007 N GLY A 65 11.445 4.661 -12.370 1.00 0.00 N ATOM 1008 CA GLY A 65 12.357 5.759 -12.094 1.00 0.00 C ATOM 1009 C GLY A 65 12.382 6.680 -13.299 1.00 0.00 C ATOM 1010 O GLY A 65 12.952 7.777 -13.265 1.00 0.00 O ATOM 0 H GLY A 65 11.900 3.790 -12.644 1.00 0.00 H new ATOM 0 HA2 GLY A 65 12.035 6.305 -11.207 1.00 0.00 H new ATOM 0 HA3 GLY A 65 13.357 5.378 -11.888 1.00 0.00 H new ATOM 1014 N ASP A 66 11.699 6.237 -14.352 1.00 0.00 N ATOM 1015 CA ASP A 66 11.565 6.992 -15.586 1.00 0.00 C ATOM 1016 C ASP A 66 10.850 8.292 -15.294 1.00 0.00 C ATOM 1017 O ASP A 66 11.152 9.336 -15.880 1.00 0.00 O ATOM 1018 CB ASP A 66 10.736 6.187 -16.602 1.00 0.00 C ATOM 1019 CG ASP A 66 11.507 4.976 -17.123 1.00 0.00 C ATOM 1020 OD1 ASP A 66 12.682 4.866 -16.843 1.00 0.00 O ATOM 1021 OD2 ASP A 66 10.908 4.169 -17.797 1.00 0.00 O ATOM 0 H ASP A 66 11.221 5.336 -14.368 1.00 0.00 H new ATOM 0 HA ASP A 66 12.555 7.189 -15.997 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.809 5.855 -16.135 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.459 6.830 -17.438 1.00 0.00 H new ATOM 1026 N GLY A 67 9.882 8.215 -14.404 1.00 0.00 N ATOM 1027 CA GLY A 67 9.103 9.371 -14.010 1.00 0.00 C ATOM 1028 C GLY A 67 8.981 9.441 -12.505 1.00 0.00 C ATOM 1029 O GLY A 67 9.959 9.215 -11.776 1.00 0.00 O ATOM 0 H GLY A 67 9.613 7.351 -13.934 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.575 10.279 -14.385 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.111 9.318 -14.459 1.00 0.00 H new ATOM 1033 N GLU A 68 7.793 9.762 -12.039 1.00 0.00 N ATOM 1034 CA GLU A 68 7.533 9.910 -10.620 1.00 0.00 C ATOM 1035 C GLU A 68 7.103 8.579 -10.027 1.00 0.00 C ATOM 1036 O GLU A 68 6.745 7.651 -10.754 1.00 0.00 O ATOM 1037 CB GLU A 68 6.400 10.930 -10.410 1.00 0.00 C ATOM 1038 CG GLU A 68 6.497 12.063 -11.448 1.00 0.00 C ATOM 1039 CD GLU A 68 5.533 11.814 -12.583 1.00 0.00 C ATOM 1040 OE1 GLU A 68 5.819 10.971 -13.409 1.00 0.00 O ATOM 1041 OE2 GLU A 68 4.506 12.464 -12.613 1.00 0.00 O ATOM 0 H GLU A 68 6.979 9.928 -12.632 1.00 0.00 H new ATOM 0 HA GLU A 68 8.444 10.252 -10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.434 10.432 -10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.458 11.345 -9.404 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.274 13.019 -10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.515 12.127 -11.833 1.00 0.00 H new ATOM 1048 N VAL A 69 7.001 8.545 -8.714 1.00 0.00 N ATOM 1049 CA VAL A 69 6.451 7.406 -8.007 1.00 0.00 C ATOM 1050 C VAL A 69 5.205 7.864 -7.266 1.00 0.00 C ATOM 1051 O VAL A 69 5.219 8.886 -6.578 1.00 0.00 O ATOM 1052 CB VAL A 69 7.505 6.798 -7.036 1.00 0.00 C ATOM 1053 CG1 VAL A 69 8.316 7.900 -6.352 1.00 0.00 C ATOM 1054 CG2 VAL A 69 6.815 5.961 -5.952 1.00 0.00 C ATOM 0 H VAL A 69 7.298 9.308 -8.106 1.00 0.00 H new ATOM 0 HA VAL A 69 6.183 6.619 -8.711 1.00 0.00 H new ATOM 0 HB VAL A 69 8.170 6.168 -7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.046 7.450 -5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.835 8.492 -7.106 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.646 8.545 -5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.566 5.543 -5.282 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.133 6.593 -5.384 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.255 5.151 -6.419 1.00 0.00 H new ATOM 1064 N ASP A 70 4.101 7.181 -7.492 1.00 0.00 N ATOM 1065 CA ASP A 70 2.850 7.588 -6.881 1.00 0.00 C ATOM 1066 C ASP A 70 2.643 6.870 -5.573 1.00 0.00 C ATOM 1067 O ASP A 70 3.487 6.087 -5.136 1.00 0.00 O ATOM 1068 CB ASP A 70 1.652 7.359 -7.816 1.00 0.00 C ATOM 1069 CG ASP A 70 1.019 6.012 -7.545 1.00 0.00 C ATOM 1070 OD1 ASP A 70 1.697 5.023 -7.686 1.00 0.00 O ATOM 1071 OD2 ASP A 70 -0.139 5.992 -7.184 1.00 0.00 O ATOM 0 H ASP A 70 4.043 6.353 -8.085 1.00 0.00 H new ATOM 0 HA ASP A 70 2.914 8.659 -6.690 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.915 8.149 -7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.978 7.412 -8.855 1.00 0.00 H new ATOM 1076 N PHE A 71 1.525 7.133 -4.954 1.00 0.00 N ATOM 1077 CA PHE A 71 1.206 6.521 -3.692 1.00 0.00 C ATOM 1078 C PHE A 71 1.128 5.009 -3.849 1.00 0.00 C ATOM 1079 O PHE A 71 1.681 4.260 -3.041 1.00 0.00 O ATOM 1080 CB PHE A 71 -0.108 7.079 -3.148 1.00 0.00 C ATOM 1081 CG PHE A 71 -0.324 6.582 -1.745 1.00 0.00 C ATOM 1082 CD1 PHE A 71 0.582 6.941 -0.742 1.00 0.00 C ATOM 1083 CD2 PHE A 71 -1.432 5.784 -1.437 1.00 0.00 C ATOM 1084 CE1 PHE A 71 0.386 6.504 0.565 1.00 0.00 C ATOM 1085 CE2 PHE A 71 -1.624 5.343 -0.122 1.00 0.00 C ATOM 1086 CZ PHE A 71 -0.715 5.704 0.877 1.00 0.00 C ATOM 0 H PHE A 71 0.813 7.773 -5.306 1.00 0.00 H new ATOM 0 HA PHE A 71 1.995 6.753 -2.977 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.084 8.169 -3.159 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.937 6.772 -3.785 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.435 7.558 -0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.135 5.510 -2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.086 6.784 1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.475 4.724 0.121 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.865 5.364 1.891 1.00 0.00 H new ATOM 1096 N GLN A 72 0.461 4.570 -4.914 1.00 0.00 N ATOM 1097 CA GLN A 72 0.312 3.148 -5.180 1.00 0.00 C ATOM 1098 C GLN A 72 1.686 2.507 -5.357 1.00 0.00 C ATOM 1099 O GLN A 72 1.989 1.488 -4.736 1.00 0.00 O ATOM 1100 CB GLN A 72 -0.522 2.955 -6.450 1.00 0.00 C ATOM 1101 CG GLN A 72 -1.950 3.441 -6.203 1.00 0.00 C ATOM 1102 CD GLN A 72 -2.758 3.341 -7.487 1.00 0.00 C ATOM 1103 OE1 GLN A 72 -3.397 2.322 -7.745 1.00 0.00 O ATOM 1104 NE2 GLN A 72 -2.757 4.337 -8.319 1.00 0.00 N ATOM 0 H GLN A 72 0.018 5.179 -5.602 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.193 2.672 -4.340 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.077 3.508 -7.277 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.529 1.903 -6.736 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.417 2.842 -5.421 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.937 4.472 -5.850 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.227 5.181 -8.103 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.287 4.276 -9.189 1.00 0.00 H new ATOM 1113 N GLU A 73 2.542 3.164 -6.122 1.00 0.00 N ATOM 1114 CA GLU A 73 3.920 2.725 -6.285 1.00 0.00 C ATOM 1115 C GLU A 73 4.680 2.842 -4.960 1.00 0.00 C ATOM 1116 O GLU A 73 5.437 1.943 -4.580 1.00 0.00 O ATOM 1117 CB GLU A 73 4.600 3.521 -7.413 1.00 0.00 C ATOM 1118 CG GLU A 73 6.070 3.083 -7.591 1.00 0.00 C ATOM 1119 CD GLU A 73 6.689 3.772 -8.804 1.00 0.00 C ATOM 1120 OE1 GLU A 73 5.954 4.089 -9.713 1.00 0.00 O ATOM 1121 OE2 GLU A 73 7.894 3.945 -8.822 1.00 0.00 O ATOM 0 H GLU A 73 2.306 4.008 -6.643 1.00 0.00 H new ATOM 0 HA GLU A 73 3.930 1.673 -6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.057 3.372 -8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.559 4.586 -7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.640 3.329 -6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.121 2.001 -7.714 1.00 0.00 H new ATOM 1128 N TYR A 74 4.455 3.936 -4.244 1.00 0.00 N ATOM 1129 CA TYR A 74 5.104 4.137 -2.952 1.00 0.00 C ATOM 1130 C TYR A 74 4.723 3.056 -1.947 1.00 0.00 C ATOM 1131 O TYR A 74 5.596 2.490 -1.278 1.00 0.00 O ATOM 1132 CB TYR A 74 4.795 5.533 -2.391 1.00 0.00 C ATOM 1133 CG TYR A 74 5.307 5.646 -0.967 1.00 0.00 C ATOM 1134 CD1 TYR A 74 6.640 5.336 -0.667 1.00 0.00 C ATOM 1135 CD2 TYR A 74 4.442 6.065 0.052 1.00 0.00 C ATOM 1136 CE1 TYR A 74 7.102 5.443 0.648 1.00 0.00 C ATOM 1137 CE2 TYR A 74 4.906 6.170 1.368 1.00 0.00 C ATOM 1138 CZ TYR A 74 6.236 5.859 1.665 1.00 0.00 C ATOM 1139 OH TYR A 74 6.690 5.961 2.959 1.00 0.00 O ATOM 0 H TYR A 74 3.834 4.693 -4.531 1.00 0.00 H new ATOM 0 HA TYR A 74 6.179 4.063 -3.119 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.261 6.296 -3.015 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.720 5.714 -2.415 1.00 0.00 H new ATOM 0 HD1 TYR A 74 7.310 5.015 -1.451 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.415 6.307 -0.178 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.130 5.204 0.879 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.237 6.491 2.153 1.00 0.00 H new ATOM 0 HH TYR A 74 6.445 6.837 3.324 1.00 0.00 H new ATOM 1149 N VAL A 75 3.431 2.769 -1.819 1.00 0.00 N ATOM 1150 CA VAL A 75 3.005 1.782 -0.833 1.00 0.00 C ATOM 1151 C VAL A 75 3.537 0.387 -1.148 1.00 0.00 C ATOM 1152 O VAL A 75 3.940 -0.352 -0.242 1.00 0.00 O ATOM 1153 CB VAL A 75 1.478 1.765 -0.628 1.00 0.00 C ATOM 1154 CG1 VAL A 75 1.005 3.139 -0.137 1.00 0.00 C ATOM 1155 CG2 VAL A 75 0.758 1.412 -1.934 1.00 0.00 C ATOM 0 H VAL A 75 2.681 3.191 -2.367 1.00 0.00 H new ATOM 0 HA VAL A 75 3.447 2.096 0.113 1.00 0.00 H new ATOM 0 HB VAL A 75 1.239 1.007 0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.075 3.122 0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.493 3.375 0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.261 3.898 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.319 1.406 -1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.002 2.153 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.078 0.426 -2.271 1.00 0.00 H new ATOM 1165 N VAL A 76 3.544 0.015 -2.421 1.00 0.00 N ATOM 1166 CA VAL A 76 4.023 -1.296 -2.784 1.00 0.00 C ATOM 1167 C VAL A 76 5.500 -1.423 -2.453 1.00 0.00 C ATOM 1168 O VAL A 76 5.949 -2.476 -2.007 1.00 0.00 O ATOM 1169 CB VAL A 76 3.724 -1.624 -4.265 1.00 0.00 C ATOM 1170 CG1 VAL A 76 4.482 -0.685 -5.194 1.00 0.00 C ATOM 1171 CG2 VAL A 76 4.093 -3.085 -4.579 1.00 0.00 C ATOM 0 H VAL A 76 3.229 0.594 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 76 3.483 -2.037 -2.194 1.00 0.00 H new ATOM 0 HB VAL A 76 2.655 -1.486 -4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.255 -0.936 -6.230 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.181 0.344 -4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.553 -0.789 -5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.876 -3.298 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.155 -3.241 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.510 -3.752 -3.944 1.00 0.00 H new ATOM 1181 N LEU A 77 6.245 -0.330 -2.613 1.00 0.00 N ATOM 1182 CA LEU A 77 7.667 -0.341 -2.297 1.00 0.00 C ATOM 1183 C LEU A 77 7.879 -0.662 -0.832 1.00 0.00 C ATOM 1184 O LEU A 77 8.627 -1.579 -0.492 1.00 0.00 O ATOM 1185 CB LEU A 77 8.279 1.037 -2.606 1.00 0.00 C ATOM 1186 CG LEU A 77 9.758 1.081 -2.177 1.00 0.00 C ATOM 1187 CD1 LEU A 77 10.560 -0.008 -2.887 1.00 0.00 C ATOM 1188 CD2 LEU A 77 10.350 2.453 -2.507 1.00 0.00 C ATOM 0 H LEU A 77 5.890 0.563 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 77 8.152 -1.105 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.198 1.246 -3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.720 1.814 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 77 9.812 0.907 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.601 0.042 -2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.150 -0.986 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.502 0.142 -3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.396 2.481 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.280 2.631 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.796 3.226 -1.974 1.00 0.00 H new ATOM 1200 N VAL A 78 7.168 0.039 0.038 1.00 0.00 N ATOM 1201 CA VAL A 78 7.275 -0.237 1.453 1.00 0.00 C ATOM 1202 C VAL A 78 6.632 -1.577 1.794 1.00 0.00 C ATOM 1203 O VAL A 78 7.206 -2.389 2.525 1.00 0.00 O ATOM 1204 CB VAL A 78 6.689 0.919 2.291 1.00 0.00 C ATOM 1205 CG1 VAL A 78 7.352 2.237 1.863 1.00 0.00 C ATOM 1206 CG2 VAL A 78 5.180 1.034 2.070 1.00 0.00 C ATOM 0 H VAL A 78 6.523 0.789 -0.209 1.00 0.00 H new ATOM 0 HA VAL A 78 8.332 -0.311 1.709 1.00 0.00 H new ATOM 0 HB VAL A 78 6.880 0.718 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.942 3.058 2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.428 2.174 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.157 2.416 0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.786 1.855 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.980 1.226 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.697 0.103 2.367 1.00 0.00 H new ATOM 1216 N ALA A 79 5.458 -1.827 1.224 1.00 0.00 N ATOM 1217 CA ALA A 79 4.734 -3.068 1.486 1.00 0.00 C ATOM 1218 C ALA A 79 5.496 -4.272 0.984 1.00 0.00 C ATOM 1219 O ALA A 79 5.563 -5.294 1.666 1.00 0.00 O ATOM 1220 CB ALA A 79 3.347 -3.043 0.851 1.00 0.00 C ATOM 0 H ALA A 79 4.988 -1.191 0.580 1.00 0.00 H new ATOM 0 HA ALA A 79 4.628 -3.149 2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.833 -3.980 1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.773 -2.213 1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.443 -2.918 -0.228 1.00 0.00 H new ATOM 1226 N ALA A 80 6.079 -4.155 -0.201 1.00 0.00 N ATOM 1227 CA ALA A 80 6.841 -5.251 -0.765 1.00 0.00 C ATOM 1228 C ALA A 80 7.950 -5.627 0.185 1.00 0.00 C ATOM 1229 O ALA A 80 8.074 -6.784 0.591 1.00 0.00 O ATOM 1230 CB ALA A 80 7.426 -4.855 -2.114 1.00 0.00 C ATOM 0 H ALA A 80 6.038 -3.318 -0.783 1.00 0.00 H new ATOM 0 HA ALA A 80 6.180 -6.105 -0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.995 -5.690 -2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.619 -4.596 -2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.084 -3.995 -1.987 1.00 0.00 H new ATOM 1236 N LEU A 81 8.671 -4.616 0.648 1.00 0.00 N ATOM 1237 CA LEU A 81 9.695 -4.825 1.645 1.00 0.00 C ATOM 1238 C LEU A 81 9.058 -5.356 2.918 1.00 0.00 C ATOM 1239 O LEU A 81 9.582 -6.283 3.550 1.00 0.00 O ATOM 1240 CB LEU A 81 10.439 -3.516 1.937 1.00 0.00 C ATOM 1241 CG LEU A 81 11.258 -3.090 0.711 1.00 0.00 C ATOM 1242 CD1 LEU A 81 11.868 -1.710 0.956 1.00 0.00 C ATOM 1243 CD2 LEU A 81 12.375 -4.103 0.445 1.00 0.00 C ATOM 0 H LEU A 81 8.562 -3.648 0.346 1.00 0.00 H new ATOM 0 HA LEU A 81 10.415 -5.551 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.726 -2.734 2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.097 -3.646 2.796 1.00 0.00 H new ATOM 0 HG LEU A 81 10.600 -3.050 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.449 -1.409 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.072 -0.986 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.518 -1.750 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 81 12.949 -3.791 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.032 -4.156 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.939 -5.085 0.260 1.00 0.00 H new ATOM 1255 N THR A 82 7.912 -4.789 3.276 1.00 0.00 N ATOM 1256 CA THR A 82 7.209 -5.223 4.464 1.00 0.00 C ATOM 1257 C THR A 82 6.805 -6.691 4.354 1.00 0.00 C ATOM 1258 O THR A 82 7.189 -7.506 5.186 1.00 0.00 O ATOM 1259 CB THR A 82 5.964 -4.352 4.703 1.00 0.00 C ATOM 1260 OG1 THR A 82 6.307 -2.971 4.637 1.00 0.00 O ATOM 1261 CG2 THR A 82 5.354 -4.661 6.069 1.00 0.00 C ATOM 0 H THR A 82 7.458 -4.034 2.762 1.00 0.00 H new ATOM 0 HA THR A 82 7.885 -5.113 5.312 1.00 0.00 H new ATOM 0 HB THR A 82 5.234 -4.577 3.926 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.676 -2.768 3.752 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.474 -4.037 6.224 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.066 -5.711 6.110 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.087 -4.455 6.850 1.00 0.00 H new ATOM 1269 N VAL A 83 6.134 -7.060 3.266 1.00 0.00 N ATOM 1270 CA VAL A 83 5.752 -8.451 3.097 1.00 0.00 C ATOM 1271 C VAL A 83 6.981 -9.324 2.970 1.00 0.00 C ATOM 1272 O VAL A 83 7.029 -10.424 3.529 1.00 0.00 O ATOM 1273 CB VAL A 83 4.755 -8.652 1.933 1.00 0.00 C ATOM 1274 CG1 VAL A 83 5.381 -8.321 0.580 1.00 0.00 C ATOM 1275 CG2 VAL A 83 4.215 -10.086 1.918 1.00 0.00 C ATOM 0 H VAL A 83 5.852 -6.434 2.511 1.00 0.00 H new ATOM 0 HA VAL A 83 5.216 -8.763 3.994 1.00 0.00 H new ATOM 0 HB VAL A 83 3.930 -7.960 2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.645 -8.476 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.705 -7.280 0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.240 -8.970 0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.516 -10.203 1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.042 -10.785 1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.702 -10.292 2.858 1.00 0.00 H new ATOM 1285 N ALA A 84 8.002 -8.818 2.283 1.00 0.00 N ATOM 1286 CA ALA A 84 9.240 -9.562 2.154 1.00 0.00 C ATOM 1287 C ALA A 84 9.789 -9.908 3.529 1.00 0.00 C ATOM 1288 O ALA A 84 9.947 -11.085 3.859 1.00 0.00 O ATOM 1289 CB ALA A 84 10.279 -8.758 1.367 1.00 0.00 C ATOM 0 H ALA A 84 7.993 -7.911 1.816 1.00 0.00 H new ATOM 0 HA ALA A 84 9.029 -10.482 1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.199 -9.336 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.894 -8.543 0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.485 -7.822 1.887 1.00 0.00 H new ATOM 1295 N MET A 85 10.035 -8.884 4.351 1.00 0.00 N ATOM 1296 CA MET A 85 10.490 -9.124 5.713 1.00 0.00 C ATOM 1297 C MET A 85 9.430 -9.791 6.566 1.00 0.00 C ATOM 1298 O MET A 85 9.727 -10.705 7.334 1.00 0.00 O ATOM 1299 CB MET A 85 10.977 -7.850 6.391 1.00 0.00 C ATOM 1300 CG MET A 85 12.354 -7.471 5.858 1.00 0.00 C ATOM 1301 SD MET A 85 12.931 -6.003 6.728 1.00 0.00 S ATOM 1302 CE MET A 85 12.890 -6.715 8.399 1.00 0.00 C ATOM 0 H MET A 85 9.928 -7.901 4.099 1.00 0.00 H new ATOM 0 HA MET A 85 11.334 -9.808 5.625 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.272 -7.039 6.210 1.00 0.00 H new ATOM 0 HB3 MET A 85 11.023 -7.997 7.470 1.00 0.00 H new ATOM 0 HG2 MET A 85 13.054 -8.294 6.002 1.00 0.00 H new ATOM 0 HG3 MET A 85 12.304 -7.279 4.786 1.00 0.00 H new ATOM 0 HE1 MET A 85 13.500 -6.108 9.068 1.00 0.00 H new ATOM 0 HE2 MET A 85 11.862 -6.734 8.761 1.00 0.00 H new ATOM 0 HE3 MET A 85 13.283 -7.731 8.371 1.00 0.00 H new ATOM 1312 N ASN A 86 8.195 -9.330 6.444 1.00 0.00 N ATOM 1313 CA ASN A 86 7.121 -9.856 7.269 1.00 0.00 C ATOM 1314 C ASN A 86 6.909 -11.319 7.010 1.00 0.00 C ATOM 1315 O ASN A 86 6.643 -12.064 7.930 1.00 0.00 O ATOM 1316 CB ASN A 86 5.810 -9.069 7.120 1.00 0.00 C ATOM 1317 CG ASN A 86 5.833 -7.831 8.022 1.00 0.00 C ATOM 1318 OD1 ASN A 86 6.312 -6.785 7.619 1.00 0.00 O ATOM 1319 ND2 ASN A 86 5.333 -7.892 9.227 1.00 0.00 N ATOM 0 H ASN A 86 7.914 -8.600 5.789 1.00 0.00 H new ATOM 0 HA ASN A 86 7.437 -9.732 8.305 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.673 -8.769 6.081 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.964 -9.704 7.383 1.00 0.00 H new ATOM 0 HD21 ASN A 86 5.344 -7.067 9.826 1.00 0.00 H new ATOM 0 HD22 ASN A 86 4.931 -8.765 9.569 1.00 0.00 H new ATOM 1326 N ASN A 87 7.047 -11.743 5.758 1.00 0.00 N ATOM 1327 CA ASN A 87 6.854 -13.159 5.411 1.00 0.00 C ATOM 1328 C ASN A 87 7.650 -14.042 6.361 1.00 0.00 C ATOM 1329 O ASN A 87 7.167 -15.076 6.815 1.00 0.00 O ATOM 1330 CB ASN A 87 7.313 -13.440 3.979 1.00 0.00 C ATOM 1331 CG ASN A 87 6.562 -14.642 3.428 1.00 0.00 C ATOM 1332 OD1 ASN A 87 7.058 -15.830 3.562 1.00 0.00 O flip ATOM 1333 ND2 ASN A 87 5.476 -14.489 2.871 1.00 0.00 N flip ATOM 0 H ASN A 87 7.288 -11.141 4.971 1.00 0.00 H new ATOM 0 HA ASN A 87 5.790 -13.381 5.496 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.133 -12.567 3.351 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.386 -13.630 3.961 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.085 -13.553 2.765 1.00 0.00 H new ATOM 0 HD22 ASN A 87 4.967 -15.298 2.515 1.00 0.00 H new ATOM 1340 N PHE A 88 8.830 -13.577 6.735 1.00 0.00 N ATOM 1341 CA PHE A 88 9.661 -14.291 7.691 1.00 0.00 C ATOM 1342 C PHE A 88 8.950 -14.401 9.029 1.00 0.00 C ATOM 1343 O PHE A 88 9.148 -15.357 9.758 1.00 0.00 O ATOM 1344 CB PHE A 88 11.008 -13.583 7.887 1.00 0.00 C ATOM 1345 CG PHE A 88 11.852 -13.727 6.645 1.00 0.00 C ATOM 1346 CD1 PHE A 88 12.545 -14.920 6.399 1.00 0.00 C ATOM 1347 CD2 PHE A 88 11.948 -12.669 5.741 1.00 0.00 C ATOM 1348 CE1 PHE A 88 13.328 -15.052 5.250 1.00 0.00 C ATOM 1349 CE2 PHE A 88 12.732 -12.799 4.589 1.00 0.00 C ATOM 1350 CZ PHE A 88 13.421 -13.992 4.344 1.00 0.00 C ATOM 0 H PHE A 88 9.235 -12.707 6.391 1.00 0.00 H new ATOM 0 HA PHE A 88 9.844 -15.289 7.293 1.00 0.00 H new ATOM 0 HB2 PHE A 88 10.845 -12.528 8.106 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.531 -14.009 8.743 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.473 -15.739 7.099 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.416 -11.748 5.930 1.00 0.00 H new ATOM 0 HE1 PHE A 88 13.861 -15.972 5.062 1.00 0.00 H new ATOM 0 HE2 PHE A 88 12.805 -11.979 3.890 1.00 0.00 H new ATOM 0 HZ PHE A 88 14.025 -14.094 3.454 1.00 0.00 H new ATOM 1360 N PHE A 89 8.168 -13.388 9.366 1.00 0.00 N ATOM 1361 CA PHE A 89 7.487 -13.339 10.662 1.00 0.00 C ATOM 1362 C PHE A 89 6.571 -14.547 10.807 1.00 0.00 C ATOM 1363 O PHE A 89 6.542 -15.197 11.849 1.00 0.00 O ATOM 1364 CB PHE A 89 6.633 -12.065 10.776 1.00 0.00 C ATOM 1365 CG PHE A 89 7.476 -10.788 10.758 1.00 0.00 C ATOM 1366 CD1 PHE A 89 8.791 -10.778 10.248 1.00 0.00 C ATOM 1367 CD2 PHE A 89 6.918 -9.596 11.239 1.00 0.00 C ATOM 1368 CE1 PHE A 89 9.527 -9.586 10.223 1.00 0.00 C ATOM 1369 CE2 PHE A 89 7.659 -8.407 11.216 1.00 0.00 C ATOM 1370 CZ PHE A 89 8.959 -8.402 10.708 1.00 0.00 C ATOM 0 H PHE A 89 7.985 -12.585 8.764 1.00 0.00 H new ATOM 0 HA PHE A 89 8.245 -13.341 11.446 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.919 -12.036 9.953 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.055 -12.101 11.699 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.232 -11.691 9.876 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.911 -9.594 11.630 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.533 -9.581 9.829 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.224 -7.493 11.592 1.00 0.00 H new ATOM 0 HZ PHE A 89 9.527 -7.484 10.689 1.00 0.00 H new ATOM 1380 N TRP A 90 5.846 -14.858 9.742 1.00 0.00 N ATOM 1381 CA TRP A 90 4.965 -16.016 9.742 1.00 0.00 C ATOM 1382 C TRP A 90 5.811 -17.267 9.877 1.00 0.00 C ATOM 1383 O TRP A 90 5.470 -18.196 10.611 1.00 0.00 O ATOM 1384 CB TRP A 90 4.191 -16.131 8.414 1.00 0.00 C ATOM 1385 CG TRP A 90 3.611 -14.826 7.946 1.00 0.00 C ATOM 1386 CD1 TRP A 90 4.323 -13.750 7.576 1.00 0.00 C ATOM 1387 CD2 TRP A 90 2.216 -14.476 7.730 1.00 0.00 C ATOM 1388 NE1 TRP A 90 3.461 -12.750 7.172 1.00 0.00 N ATOM 1389 CE2 TRP A 90 2.152 -13.152 7.243 1.00 0.00 C ATOM 1390 CE3 TRP A 90 1.015 -15.167 7.909 1.00 0.00 C ATOM 1391 CZ2 TRP A 90 0.941 -12.539 6.949 1.00 0.00 C ATOM 1392 CZ3 TRP A 90 -0.210 -14.555 7.609 1.00 0.00 C ATOM 1393 CH2 TRP A 90 -0.245 -13.245 7.126 1.00 0.00 C ATOM 0 H TRP A 90 5.850 -14.327 8.871 1.00 0.00 H new ATOM 0 HA TRP A 90 4.260 -15.905 10.566 1.00 0.00 H new ATOM 0 HB2 TRP A 90 4.859 -16.520 7.645 1.00 0.00 H new ATOM 0 HB3 TRP A 90 3.386 -16.856 8.533 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.400 -13.678 7.592 1.00 0.00 H new ATOM 0 HE1 TRP A 90 3.761 -11.827 6.859 1.00 0.00 H new ATOM 0 HE3 TRP A 90 1.030 -16.181 8.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 0.920 -11.522 6.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -1.132 -15.099 7.752 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -1.191 -12.781 6.890 1.00 0.00 H new ATOM 1453 N SER B 2 10.230 4.600 11.206 1.00 0.00 N ATOM 1454 CA SER B 2 9.136 5.483 11.565 1.00 0.00 C ATOM 1455 C SER B 2 7.846 4.718 11.777 1.00 0.00 C ATOM 1456 O SER B 2 7.756 3.512 11.484 1.00 0.00 O ATOM 1457 CB SER B 2 8.935 6.544 10.492 1.00 0.00 C ATOM 1458 OG SER B 2 10.189 7.136 10.157 1.00 0.00 O ATOM 0 HA SER B 2 9.402 5.965 12.506 1.00 0.00 H new ATOM 0 HB2 SER B 2 8.485 6.097 9.605 1.00 0.00 H new ATOM 0 HB3 SER B 2 8.245 7.309 10.849 1.00 0.00 H new ATOM 0 HG SER B 2 10.050 8.070 9.893 1.00 0.00 H new ATOM 1464 N GLU B 3 6.835 5.432 12.237 1.00 0.00 N ATOM 1465 CA GLU B 3 5.518 4.871 12.467 1.00 0.00 C ATOM 1466 C GLU B 3 5.022 4.182 11.207 1.00 0.00 C ATOM 1467 O GLU B 3 4.119 3.348 11.258 1.00 0.00 O ATOM 1468 CB GLU B 3 4.536 5.980 12.856 1.00 0.00 C ATOM 1469 CG GLU B 3 5.167 6.885 13.918 1.00 0.00 C ATOM 1470 CD GLU B 3 5.977 7.971 13.248 1.00 0.00 C ATOM 1471 OE1 GLU B 3 5.391 8.940 12.826 1.00 0.00 O ATOM 1472 OE2 GLU B 3 7.173 7.815 13.136 1.00 0.00 O ATOM 0 H GLU B 3 6.906 6.424 12.463 1.00 0.00 H new ATOM 0 HA GLU B 3 5.583 4.145 13.277 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.270 6.567 11.977 1.00 0.00 H new ATOM 0 HB3 GLU B 3 3.614 5.543 13.239 1.00 0.00 H new ATOM 0 HG2 GLU B 3 4.389 7.329 14.539 1.00 0.00 H new ATOM 0 HG3 GLU B 3 5.805 6.297 14.578 1.00 0.00 H new ATOM 1479 N LEU B 4 5.645 4.504 10.077 1.00 0.00 N ATOM 1480 CA LEU B 4 5.247 3.906 8.824 1.00 0.00 C ATOM 1481 C LEU B 4 5.417 2.415 8.918 1.00 0.00 C ATOM 1482 O LEU B 4 4.527 1.661 8.541 1.00 0.00 O ATOM 1483 CB LEU B 4 6.107 4.415 7.667 1.00 0.00 C ATOM 1484 CG LEU B 4 5.867 5.906 7.429 1.00 0.00 C ATOM 1485 CD1 LEU B 4 6.609 6.340 6.174 1.00 0.00 C ATOM 1486 CD2 LEU B 4 4.375 6.196 7.277 1.00 0.00 C ATOM 0 H LEU B 4 6.417 5.168 10.011 1.00 0.00 H new ATOM 0 HA LEU B 4 4.207 4.173 8.635 1.00 0.00 H new ATOM 0 HB2 LEU B 4 7.160 4.242 7.887 1.00 0.00 H new ATOM 0 HB3 LEU B 4 5.874 3.855 6.761 1.00 0.00 H new ATOM 0 HG LEU B 4 6.238 6.465 8.288 1.00 0.00 H new ATOM 0 HD11 LEU B 4 6.440 7.403 6.001 1.00 0.00 H new ATOM 0 HD12 LEU B 4 7.676 6.158 6.301 1.00 0.00 H new ATOM 0 HD13 LEU B 4 6.243 5.771 5.320 1.00 0.00 H new ATOM 0 HD21 LEU B 4 4.227 7.263 7.108 1.00 0.00 H new ATOM 0 HD22 LEU B 4 3.980 5.636 6.429 1.00 0.00 H new ATOM 0 HD23 LEU B 4 3.852 5.896 8.185 1.00 0.00 H new ATOM 1498 N GLU B 5 6.511 1.982 9.535 1.00 0.00 N ATOM 1499 CA GLU B 5 6.718 0.567 9.720 1.00 0.00 C ATOM 1500 C GLU B 5 5.569 0.009 10.545 1.00 0.00 C ATOM 1501 O GLU B 5 4.940 -0.974 10.166 1.00 0.00 O ATOM 1502 CB GLU B 5 8.057 0.300 10.428 1.00 0.00 C ATOM 1503 CG GLU B 5 9.227 0.696 9.505 1.00 0.00 C ATOM 1504 CD GLU B 5 10.577 0.395 10.166 1.00 0.00 C ATOM 1505 OE1 GLU B 5 10.582 -0.084 11.287 1.00 0.00 O ATOM 1506 OE2 GLU B 5 11.588 0.637 9.539 1.00 0.00 O ATOM 0 H GLU B 5 7.248 2.582 9.905 1.00 0.00 H new ATOM 0 HA GLU B 5 6.750 0.077 8.747 1.00 0.00 H new ATOM 0 HB2 GLU B 5 8.107 0.868 11.357 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.133 -0.754 10.695 1.00 0.00 H new ATOM 0 HG2 GLU B 5 9.151 0.153 8.563 1.00 0.00 H new ATOM 0 HG3 GLU B 5 9.164 1.758 9.267 1.00 0.00 H new ATOM 1513 N THR B 6 5.188 0.744 11.574 1.00 0.00 N ATOM 1514 CA THR B 6 4.036 0.375 12.371 1.00 0.00 C ATOM 1515 C THR B 6 2.772 0.418 11.505 1.00 0.00 C ATOM 1516 O THR B 6 1.974 -0.521 11.502 1.00 0.00 O ATOM 1517 CB THR B 6 3.904 1.329 13.555 1.00 0.00 C ATOM 1518 OG1 THR B 6 5.188 1.488 14.155 1.00 0.00 O ATOM 1519 CG2 THR B 6 2.948 0.719 14.583 1.00 0.00 C ATOM 0 H THR B 6 5.659 1.597 11.875 1.00 0.00 H new ATOM 0 HA THR B 6 4.165 -0.639 12.750 1.00 0.00 H new ATOM 0 HB THR B 6 3.521 2.293 13.220 1.00 0.00 H new ATOM 0 HG1 THR B 6 5.119 2.100 14.917 1.00 0.00 H new ATOM 0 HG21 THR B 6 2.848 1.394 15.433 1.00 0.00 H new ATOM 0 HG22 THR B 6 1.971 0.565 14.125 1.00 0.00 H new ATOM 0 HG23 THR B 6 3.343 -0.238 14.925 1.00 0.00 H new ATOM 1527 N ALA B 7 2.631 1.474 10.722 1.00 0.00 N ATOM 1528 CA ALA B 7 1.505 1.582 9.820 1.00 0.00 C ATOM 1529 C ALA B 7 1.488 0.378 8.899 1.00 0.00 C ATOM 1530 O ALA B 7 0.455 -0.285 8.738 1.00 0.00 O ATOM 1531 CB ALA B 7 1.597 2.877 9.002 1.00 0.00 C ATOM 0 H ALA B 7 3.279 2.262 10.695 1.00 0.00 H new ATOM 0 HA ALA B 7 0.581 1.610 10.398 1.00 0.00 H new ATOM 0 HB1 ALA B 7 0.743 2.943 8.328 1.00 0.00 H new ATOM 0 HB2 ALA B 7 1.595 3.734 9.676 1.00 0.00 H new ATOM 0 HB3 ALA B 7 2.519 2.875 8.420 1.00 0.00 H new ATOM 1537 N MET B 8 2.652 0.045 8.356 1.00 0.00 N ATOM 1538 CA MET B 8 2.770 -1.121 7.501 1.00 0.00 C ATOM 1539 C MET B 8 2.482 -2.397 8.283 1.00 0.00 C ATOM 1540 O MET B 8 1.699 -3.241 7.839 1.00 0.00 O ATOM 1541 CB MET B 8 4.154 -1.196 6.849 1.00 0.00 C ATOM 1542 CG MET B 8 4.387 0.028 5.950 1.00 0.00 C ATOM 1543 SD MET B 8 3.024 0.180 4.762 1.00 0.00 S ATOM 1544 CE MET B 8 3.233 -1.401 3.932 1.00 0.00 C ATOM 0 H MET B 8 3.520 0.564 8.493 1.00 0.00 H new ATOM 0 HA MET B 8 2.028 -1.024 6.708 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.924 -1.242 7.619 1.00 0.00 H new ATOM 0 HB3 MET B 8 4.237 -2.109 6.260 1.00 0.00 H new ATOM 0 HG2 MET B 8 4.455 0.930 6.558 1.00 0.00 H new ATOM 0 HG3 MET B 8 5.335 -0.072 5.421 1.00 0.00 H new ATOM 0 HE1 MET B 8 2.700 -1.386 2.981 1.00 0.00 H new ATOM 0 HE2 MET B 8 4.293 -1.580 3.751 1.00 0.00 H new ATOM 0 HE3 MET B 8 2.833 -2.197 4.560 1.00 0.00 H new ATOM 1554 N GLU B 9 3.000 -2.480 9.510 1.00 0.00 N ATOM 1555 CA GLU B 9 2.691 -3.630 10.360 1.00 0.00 C ATOM 1556 C GLU B 9 1.203 -3.649 10.655 1.00 0.00 C ATOM 1557 O GLU B 9 0.568 -4.692 10.621 1.00 0.00 O ATOM 1558 CB GLU B 9 3.467 -3.585 11.682 1.00 0.00 C ATOM 1559 CG GLU B 9 4.962 -3.822 11.441 1.00 0.00 C ATOM 1560 CD GLU B 9 5.710 -3.707 12.754 1.00 0.00 C ATOM 1561 OE1 GLU B 9 5.420 -2.791 13.499 1.00 0.00 O ATOM 1562 OE2 GLU B 9 6.544 -4.535 13.011 1.00 0.00 O ATOM 0 H GLU B 9 3.619 -1.785 9.928 1.00 0.00 H new ATOM 0 HA GLU B 9 2.987 -4.533 9.825 1.00 0.00 H new ATOM 0 HB2 GLU B 9 3.320 -2.618 12.163 1.00 0.00 H new ATOM 0 HB3 GLU B 9 3.079 -4.342 12.363 1.00 0.00 H new ATOM 0 HG2 GLU B 9 5.119 -4.809 11.006 1.00 0.00 H new ATOM 0 HG3 GLU B 9 5.346 -3.094 10.726 1.00 0.00 H new ATOM 1569 N THR B 10 0.639 -2.480 10.862 1.00 0.00 N ATOM 1570 CA THR B 10 -0.784 -2.364 11.094 1.00 0.00 C ATOM 1571 C THR B 10 -1.533 -2.945 9.906 1.00 0.00 C ATOM 1572 O THR B 10 -2.445 -3.765 10.071 1.00 0.00 O ATOM 1573 CB THR B 10 -1.167 -0.899 11.327 1.00 0.00 C ATOM 1574 OG1 THR B 10 -0.273 -0.339 12.280 1.00 0.00 O ATOM 1575 CG2 THR B 10 -2.604 -0.812 11.863 1.00 0.00 C ATOM 0 H THR B 10 1.145 -1.594 10.874 1.00 0.00 H new ATOM 0 HA THR B 10 -1.057 -2.923 11.989 1.00 0.00 H new ATOM 0 HB THR B 10 -1.106 -0.351 10.387 1.00 0.00 H new ATOM 0 HG1 THR B 10 0.599 -0.185 11.860 1.00 0.00 H new ATOM 0 HG21 THR B 10 -2.869 0.233 12.026 1.00 0.00 H new ATOM 0 HG22 THR B 10 -3.290 -1.251 11.139 1.00 0.00 H new ATOM 0 HG23 THR B 10 -2.674 -1.356 12.805 1.00 0.00 H new ATOM 1583 N LEU B 11 -1.071 -2.617 8.708 1.00 0.00 N ATOM 1584 CA LEU B 11 -1.644 -3.208 7.512 1.00 0.00 C ATOM 1585 C LEU B 11 -1.410 -4.715 7.534 1.00 0.00 C ATOM 1586 O LEU B 11 -2.318 -5.501 7.244 1.00 0.00 O ATOM 1587 CB LEU B 11 -1.027 -2.601 6.245 1.00 0.00 C ATOM 1588 CG LEU B 11 -1.446 -1.135 6.083 1.00 0.00 C ATOM 1589 CD1 LEU B 11 -0.673 -0.509 4.919 1.00 0.00 C ATOM 1590 CD2 LEU B 11 -2.945 -1.051 5.798 1.00 0.00 C ATOM 0 H LEU B 11 -0.313 -1.955 8.541 1.00 0.00 H new ATOM 0 HA LEU B 11 -2.714 -2.999 7.498 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.060 -2.670 6.296 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.342 -3.172 5.372 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.224 -0.596 7.004 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.970 0.533 4.803 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.397 -0.561 5.123 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.894 -1.053 4.001 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -3.236 -0.007 5.684 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.172 -1.593 4.880 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.498 -1.493 6.626 1.00 0.00 H new ATOM 1602 N ILE B 12 -0.213 -5.117 7.948 1.00 0.00 N ATOM 1603 CA ILE B 12 0.109 -6.535 8.072 1.00 0.00 C ATOM 1604 C ILE B 12 -0.799 -7.166 9.118 1.00 0.00 C ATOM 1605 O ILE B 12 -1.256 -8.290 8.956 1.00 0.00 O ATOM 1606 CB ILE B 12 1.589 -6.739 8.476 1.00 0.00 C ATOM 1607 CG1 ILE B 12 2.538 -6.297 7.344 1.00 0.00 C ATOM 1608 CG2 ILE B 12 1.845 -8.219 8.799 1.00 0.00 C ATOM 1609 CD1 ILE B 12 2.481 -7.289 6.170 1.00 0.00 C ATOM 0 H ILE B 12 0.547 -4.486 8.202 1.00 0.00 H new ATOM 0 HA ILE B 12 -0.047 -7.012 7.104 1.00 0.00 H new ATOM 0 HB ILE B 12 1.784 -6.128 9.357 1.00 0.00 H new ATOM 0 HG12 ILE B 12 2.261 -5.301 6.999 1.00 0.00 H new ATOM 0 HG13 ILE B 12 3.558 -6.232 7.722 1.00 0.00 H new ATOM 0 HG21 ILE B 12 2.889 -8.354 9.082 1.00 0.00 H new ATOM 0 HG22 ILE B 12 1.202 -8.528 9.623 1.00 0.00 H new ATOM 0 HG23 ILE B 12 1.626 -8.826 7.921 1.00 0.00 H new ATOM 0 HD11 ILE B 12 3.158 -6.959 5.382 1.00 0.00 H new ATOM 0 HD12 ILE B 12 2.781 -8.279 6.515 1.00 0.00 H new ATOM 0 HD13 ILE B 12 1.464 -7.333 5.780 1.00 0.00 H new ATOM 1621 N ASN B 13 -0.992 -6.464 10.221 1.00 0.00 N ATOM 1622 CA ASN B 13 -1.751 -7.001 11.343 1.00 0.00 C ATOM 1623 C ASN B 13 -3.144 -7.359 10.884 1.00 0.00 C ATOM 1624 O ASN B 13 -3.621 -8.476 11.122 1.00 0.00 O ATOM 1625 CB ASN B 13 -1.883 -5.926 12.426 1.00 0.00 C ATOM 1626 CG ASN B 13 -0.544 -5.617 13.062 1.00 0.00 C ATOM 1627 OD1 ASN B 13 0.360 -6.455 13.072 1.00 0.00 O ATOM 1628 ND2 ASN B 13 -0.350 -4.447 13.571 1.00 0.00 N ATOM 0 H ASN B 13 -0.634 -5.520 10.366 1.00 0.00 H new ATOM 0 HA ASN B 13 -1.236 -7.880 11.730 1.00 0.00 H new ATOM 0 HB2 ASN B 13 -2.299 -5.018 11.991 1.00 0.00 H new ATOM 0 HB3 ASN B 13 -2.582 -6.262 13.191 1.00 0.00 H new ATOM 0 HD21 ASN B 13 0.553 -4.214 13.983 1.00 0.00 H new ATOM 0 HD22 ASN B 13 -1.100 -3.756 13.561 1.00 0.00 H new ATOM 1635 N VAL B 14 -3.760 -6.462 10.138 1.00 0.00 N ATOM 1636 CA VAL B 14 -5.062 -6.744 9.572 1.00 0.00 C ATOM 1637 C VAL B 14 -4.940 -7.890 8.585 1.00 0.00 C ATOM 1638 O VAL B 14 -5.700 -8.859 8.629 1.00 0.00 O ATOM 1639 CB VAL B 14 -5.624 -5.491 8.882 1.00 0.00 C ATOM 1640 CG1 VAL B 14 -6.943 -5.827 8.178 1.00 0.00 C ATOM 1641 CG2 VAL B 14 -5.870 -4.400 9.931 1.00 0.00 C ATOM 0 H VAL B 14 -3.383 -5.541 9.912 1.00 0.00 H new ATOM 0 HA VAL B 14 -5.751 -7.030 10.367 1.00 0.00 H new ATOM 0 HB VAL B 14 -4.905 -5.137 8.143 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -7.334 -4.933 7.692 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -6.769 -6.600 7.430 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -7.665 -6.187 8.911 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -6.269 -3.510 9.444 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -6.586 -4.761 10.670 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -4.931 -4.153 10.426 1.00 0.00 H new ATOM 1651 N PHE B 15 -3.935 -7.798 7.735 1.00 0.00 N ATOM 1652 CA PHE B 15 -3.686 -8.814 6.733 1.00 0.00 C ATOM 1653 C PHE B 15 -3.473 -10.169 7.410 1.00 0.00 C ATOM 1654 O PHE B 15 -4.052 -11.180 7.004 1.00 0.00 O ATOM 1655 CB PHE B 15 -2.437 -8.435 5.930 1.00 0.00 C ATOM 1656 CG PHE B 15 -2.263 -9.365 4.755 1.00 0.00 C ATOM 1657 CD1 PHE B 15 -1.528 -10.544 4.893 1.00 0.00 C ATOM 1658 CD2 PHE B 15 -2.838 -9.043 3.522 1.00 0.00 C ATOM 1659 CE1 PHE B 15 -1.369 -11.396 3.800 1.00 0.00 C ATOM 1660 CE2 PHE B 15 -2.674 -9.894 2.433 1.00 0.00 C ATOM 1661 CZ PHE B 15 -1.941 -11.070 2.571 1.00 0.00 C ATOM 0 H PHE B 15 -3.273 -7.022 7.720 1.00 0.00 H new ATOM 0 HA PHE B 15 -4.544 -8.883 6.064 1.00 0.00 H new ATOM 0 HB2 PHE B 15 -2.522 -7.407 5.578 1.00 0.00 H new ATOM 0 HB3 PHE B 15 -1.557 -8.481 6.571 1.00 0.00 H new ATOM 0 HD1 PHE B 15 -1.083 -10.796 5.844 1.00 0.00 H new ATOM 0 HD2 PHE B 15 -3.410 -8.133 3.414 1.00 0.00 H new ATOM 0 HE1 PHE B 15 -0.802 -12.309 3.906 1.00 0.00 H new ATOM 0 HE2 PHE B 15 -3.116 -9.642 1.480 1.00 0.00 H new ATOM 0 HZ PHE B 15 -1.816 -11.730 1.725 1.00 0.00 H new ATOM 1671 N HIS B 16 -2.653 -10.172 8.451 1.00 0.00 N ATOM 1672 CA HIS B 16 -2.326 -11.392 9.181 1.00 0.00 C ATOM 1673 C HIS B 16 -3.586 -12.068 9.678 1.00 0.00 C ATOM 1674 O HIS B 16 -3.717 -13.296 9.601 1.00 0.00 O ATOM 1675 CB HIS B 16 -1.410 -11.074 10.374 1.00 0.00 C ATOM 1676 CG HIS B 16 -0.377 -12.155 10.524 1.00 0.00 C ATOM 1677 ND1 HIS B 16 -0.689 -13.503 10.415 1.00 0.00 N ATOM 1678 CD2 HIS B 16 0.973 -12.100 10.767 1.00 0.00 C ATOM 1679 CE1 HIS B 16 0.458 -14.196 10.589 1.00 0.00 C ATOM 1680 NE2 HIS B 16 1.499 -13.386 10.808 1.00 0.00 N ATOM 0 H HIS B 16 -2.197 -9.335 8.813 1.00 0.00 H new ATOM 0 HA HIS B 16 -1.806 -12.065 8.499 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -0.923 -10.111 10.224 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -2.001 -10.993 11.287 1.00 0.00 H new ATOM 0 HD1 HIS B 16 -1.613 -13.897 10.237 1.00 0.00 H new ATOM 0 HD2 HIS B 16 1.542 -11.192 10.906 1.00 0.00 H new ATOM 0 HE1 HIS B 16 0.526 -15.273 10.555 1.00 0.00 H new ATOM 1689 N ALA B 17 -4.495 -11.272 10.216 1.00 0.00 N ATOM 1690 CA ALA B 17 -5.734 -11.795 10.770 1.00 0.00 C ATOM 1691 C ALA B 17 -6.529 -12.555 9.717 1.00 0.00 C ATOM 1692 O ALA B 17 -7.003 -13.665 9.958 1.00 0.00 O ATOM 1693 CB ALA B 17 -6.592 -10.648 11.330 1.00 0.00 C ATOM 0 H ALA B 17 -4.398 -10.259 10.281 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.475 -12.483 11.574 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -7.517 -11.053 11.742 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -6.041 -10.131 12.116 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -6.828 -9.946 10.530 1.00 0.00 H new ATOM 1699 N HIS B 18 -6.715 -11.932 8.568 1.00 0.00 N ATOM 1700 CA HIS B 18 -7.523 -12.524 7.507 1.00 0.00 C ATOM 1701 C HIS B 18 -6.874 -13.770 6.911 1.00 0.00 C ATOM 1702 O HIS B 18 -7.553 -14.782 6.692 1.00 0.00 O ATOM 1703 CB HIS B 18 -7.845 -11.486 6.431 1.00 0.00 C ATOM 1704 CG HIS B 18 -8.755 -10.431 7.020 1.00 0.00 C ATOM 1705 ND1 HIS B 18 -10.123 -10.628 7.187 1.00 0.00 N ATOM 1706 CD2 HIS B 18 -8.500 -9.177 7.519 1.00 0.00 C ATOM 1707 CE1 HIS B 18 -10.624 -9.517 7.765 1.00 0.00 C ATOM 1708 NE2 HIS B 18 -9.679 -8.605 7.991 1.00 0.00 N ATOM 0 H HIS B 18 -6.321 -11.019 8.342 1.00 0.00 H new ATOM 0 HA HIS B 18 -8.461 -12.851 7.955 1.00 0.00 H new ATOM 0 HB2 HIS B 18 -6.927 -11.028 6.063 1.00 0.00 H new ATOM 0 HB3 HIS B 18 -8.326 -11.965 5.578 1.00 0.00 H new ATOM 0 HD1 HIS B 18 -10.650 -11.460 6.921 1.00 0.00 H new ATOM 0 HD2 HIS B 18 -7.529 -8.704 7.542 1.00 0.00 H new ATOM 0 HE1 HIS B 18 -11.666 -9.383 8.015 1.00 0.00 H new ATOM 1717 N SER B 19 -5.551 -13.743 6.729 1.00 0.00 N ATOM 1718 CA SER B 19 -4.857 -14.924 6.217 1.00 0.00 C ATOM 1719 C SER B 19 -5.122 -16.110 7.133 1.00 0.00 C ATOM 1720 O SER B 19 -5.456 -17.204 6.673 1.00 0.00 O ATOM 1721 CB SER B 19 -3.343 -14.676 6.125 1.00 0.00 C ATOM 1722 OG SER B 19 -3.085 -13.607 5.214 1.00 0.00 O ATOM 0 H SER B 19 -4.954 -12.939 6.923 1.00 0.00 H new ATOM 0 HA SER B 19 -5.234 -15.137 5.217 1.00 0.00 H new ATOM 0 HB2 SER B 19 -2.944 -14.432 7.110 1.00 0.00 H new ATOM 0 HB3 SER B 19 -2.836 -15.581 5.791 1.00 0.00 H new ATOM 0 HG SER B 19 -3.687 -13.680 4.444 1.00 0.00 H new ATOM 1728 N GLY B 20 -5.064 -15.862 8.433 1.00 0.00 N ATOM 1729 CA GLY B 20 -5.353 -16.895 9.409 1.00 0.00 C ATOM 1730 C GLY B 20 -6.784 -17.389 9.251 1.00 0.00 C ATOM 1731 O GLY B 20 -7.054 -18.590 9.323 1.00 0.00 O ATOM 0 H GLY B 20 -4.820 -14.956 8.833 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -4.659 -17.726 9.285 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -5.205 -16.504 10.416 1.00 0.00 H new ATOM 1735 N LYS B 21 -7.707 -16.460 9.040 1.00 0.00 N ATOM 1736 CA LYS B 21 -9.107 -16.819 8.881 1.00 0.00 C ATOM 1737 C LYS B 21 -9.332 -17.632 7.617 1.00 0.00 C ATOM 1738 O LYS B 21 -10.000 -18.670 7.653 1.00 0.00 O ATOM 1739 CB LYS B 21 -9.986 -15.563 8.883 1.00 0.00 C ATOM 1740 CG LYS B 21 -9.961 -14.952 10.287 1.00 0.00 C ATOM 1741 CD LYS B 21 -10.805 -15.825 11.237 1.00 0.00 C ATOM 1742 CE LYS B 21 -10.059 -16.037 12.564 1.00 0.00 C ATOM 1743 NZ LYS B 21 -9.872 -14.736 13.248 1.00 0.00 N ATOM 0 H LYS B 21 -7.513 -15.461 8.976 1.00 0.00 H new ATOM 0 HA LYS B 21 -9.391 -17.443 9.728 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -9.620 -14.844 8.151 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -11.007 -15.816 8.598 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -8.935 -14.887 10.650 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -10.355 -13.936 10.261 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -11.767 -15.347 11.424 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -11.013 -16.788 10.770 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -10.622 -16.717 13.204 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -9.091 -16.503 12.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -9.523 -14.899 14.214 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -9.181 -14.163 12.722 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -10.781 -14.232 13.289 1.00 0.00 H new ATOM 1757 N GLU B 22 -8.752 -17.183 6.519 1.00 0.00 N ATOM 1758 CA GLU B 22 -8.881 -17.897 5.259 1.00 0.00 C ATOM 1759 C GLU B 22 -8.122 -19.219 5.316 1.00 0.00 C ATOM 1760 O GLU B 22 -8.647 -20.260 4.923 1.00 0.00 O ATOM 1761 CB GLU B 22 -8.414 -17.026 4.110 1.00 0.00 C ATOM 1762 CG GLU B 22 -9.385 -15.852 3.948 1.00 0.00 C ATOM 1763 CD GLU B 22 -8.873 -14.892 2.901 1.00 0.00 C ATOM 1764 OE1 GLU B 22 -7.726 -15.019 2.523 1.00 0.00 O ATOM 1765 OE2 GLU B 22 -9.619 -14.034 2.497 1.00 0.00 O ATOM 0 H GLU B 22 -8.190 -16.333 6.472 1.00 0.00 H new ATOM 0 HA GLU B 22 -9.932 -18.131 5.088 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -7.406 -16.657 4.302 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -8.370 -17.608 3.190 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -10.370 -16.222 3.662 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -9.503 -15.334 4.900 1.00 0.00 H new ATOM 1772 N GLY B 23 -6.947 -19.199 5.938 1.00 0.00 N ATOM 1773 CA GLY B 23 -6.211 -20.432 6.198 1.00 0.00 C ATOM 1774 C GLY B 23 -4.846 -20.482 5.524 1.00 0.00 C ATOM 1775 O GLY B 23 -3.948 -21.173 6.015 1.00 0.00 O ATOM 0 H GLY B 23 -6.487 -18.351 6.269 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -6.080 -20.547 7.274 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -6.806 -21.279 5.857 1.00 0.00 H new ATOM 1779 N ASP B 24 -4.653 -19.734 4.436 1.00 0.00 N ATOM 1780 CA ASP B 24 -3.345 -19.749 3.762 1.00 0.00 C ATOM 1781 C ASP B 24 -2.282 -19.222 4.686 1.00 0.00 C ATOM 1782 O ASP B 24 -2.554 -18.342 5.499 1.00 0.00 O ATOM 1783 CB ASP B 24 -3.332 -18.914 2.479 1.00 0.00 C ATOM 1784 CG ASP B 24 -1.978 -19.084 1.789 1.00 0.00 C ATOM 1785 OD1 ASP B 24 -1.077 -18.319 2.076 1.00 0.00 O ATOM 1786 OD2 ASP B 24 -1.854 -19.982 0.988 1.00 0.00 O ATOM 0 H ASP B 24 -5.356 -19.129 4.011 1.00 0.00 H new ATOM 0 HA ASP B 24 -3.146 -20.787 3.494 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -4.136 -19.232 1.815 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.507 -17.864 2.711 1.00 0.00 H new ATOM 1791 N LYS B 25 -1.080 -19.770 4.582 1.00 0.00 N ATOM 1792 CA LYS B 25 0.006 -19.356 5.445 1.00 0.00 C ATOM 1793 C LYS B 25 0.186 -17.854 5.383 1.00 0.00 C ATOM 1794 O LYS B 25 0.101 -17.186 6.403 1.00 0.00 O ATOM 1795 CB LYS B 25 1.314 -20.057 5.068 1.00 0.00 C ATOM 1796 CG LYS B 25 1.519 -20.056 3.538 1.00 0.00 C ATOM 1797 CD LYS B 25 2.296 -21.312 3.106 1.00 0.00 C ATOM 1798 CE LYS B 25 3.805 -21.024 3.071 1.00 0.00 C ATOM 1799 NZ LYS B 25 4.366 -21.089 4.446 1.00 0.00 N ATOM 0 H LYS B 25 -0.837 -20.499 3.911 1.00 0.00 H new ATOM 0 HA LYS B 25 -0.251 -19.643 6.465 1.00 0.00 H new ATOM 0 HB2 LYS B 25 2.152 -19.556 5.551 1.00 0.00 H new ATOM 0 HB3 LYS B 25 1.301 -21.083 5.436 1.00 0.00 H new ATOM 0 HG2 LYS B 25 0.553 -20.026 3.034 1.00 0.00 H new ATOM 0 HG3 LYS B 25 2.064 -19.161 3.237 1.00 0.00 H new ATOM 0 HD2 LYS B 25 2.091 -22.129 3.797 1.00 0.00 H new ATOM 0 HD3 LYS B 25 1.958 -21.635 2.121 1.00 0.00 H new ATOM 0 HE2 LYS B 25 4.307 -21.748 2.430 1.00 0.00 H new ATOM 0 HE3 LYS B 25 3.986 -20.039 2.642 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 4.959 -20.252 4.619 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 3.589 -21.112 5.137 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 4.943 -21.948 4.545 1.00 0.00 H new ATOM 1813 N TYR B 26 0.251 -17.317 4.173 1.00 0.00 N ATOM 1814 CA TYR B 26 0.240 -15.874 3.994 1.00 0.00 C ATOM 1815 C TYR B 26 -0.305 -15.506 2.635 1.00 0.00 C ATOM 1816 O TYR B 26 0.449 -15.339 1.663 1.00 0.00 O ATOM 1817 CB TYR B 26 1.625 -15.230 4.225 1.00 0.00 C ATOM 1818 CG TYR B 26 2.707 -16.278 4.323 1.00 0.00 C ATOM 1819 CD1 TYR B 26 2.989 -16.891 5.551 1.00 0.00 C ATOM 1820 CD2 TYR B 26 3.430 -16.631 3.187 1.00 0.00 C ATOM 1821 CE1 TYR B 26 3.999 -17.858 5.628 1.00 0.00 C ATOM 1822 CE2 TYR B 26 4.436 -17.591 3.264 1.00 0.00 C ATOM 1823 CZ TYR B 26 4.722 -18.204 4.485 1.00 0.00 C ATOM 1824 OH TYR B 26 5.711 -19.162 4.561 1.00 0.00 O ATOM 0 H TYR B 26 0.311 -17.854 3.308 1.00 0.00 H new ATOM 0 HA TYR B 26 -0.422 -15.469 4.759 1.00 0.00 H new ATOM 0 HB2 TYR B 26 1.851 -14.546 3.407 1.00 0.00 H new ATOM 0 HB3 TYR B 26 1.605 -14.638 5.140 1.00 0.00 H new ATOM 0 HD1 TYR B 26 2.430 -16.619 6.434 1.00 0.00 H new ATOM 0 HD2 TYR B 26 3.210 -16.158 2.241 1.00 0.00 H new ATOM 0 HE1 TYR B 26 4.219 -18.336 6.571 1.00 0.00 H new ATOM 0 HE2 TYR B 26 4.994 -17.861 2.380 1.00 0.00 H new ATOM 0 HH TYR B 26 6.116 -19.285 3.677 1.00 0.00 H new ATOM 1834 N LYS B 27 -1.586 -15.241 2.624 1.00 0.00 N ATOM 1835 CA LYS B 27 -2.312 -14.718 1.489 1.00 0.00 C ATOM 1836 C LYS B 27 -3.569 -14.080 1.992 1.00 0.00 C ATOM 1837 O LYS B 27 -4.059 -14.437 3.070 1.00 0.00 O ATOM 1838 CB LYS B 27 -2.718 -15.800 0.473 1.00 0.00 C ATOM 1839 CG LYS B 27 -1.550 -16.247 -0.408 1.00 0.00 C ATOM 1840 CD LYS B 27 -1.057 -15.031 -1.207 1.00 0.00 C ATOM 1841 CE LYS B 27 -0.505 -15.444 -2.593 1.00 0.00 C ATOM 1842 NZ LYS B 27 -0.575 -16.926 -2.797 1.00 0.00 N ATOM 0 H LYS B 27 -2.180 -15.389 3.440 1.00 0.00 H new ATOM 0 HA LYS B 27 -1.651 -14.016 0.982 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -3.117 -16.663 1.006 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -3.519 -15.417 -0.159 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -0.744 -16.651 0.205 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -1.866 -17.042 -1.083 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -1.877 -14.324 -1.337 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -0.279 -14.516 -0.644 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -1.073 -14.942 -3.376 1.00 0.00 H new ATOM 0 HE3 LYS B 27 0.529 -15.112 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -0.076 -17.180 -3.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -0.128 -17.409 -1.992 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -1.570 -17.220 -2.868 1.00 0.00 H new ATOM 1856 N LEU B 28 -4.173 -13.288 1.159 1.00 0.00 N ATOM 1857 CA LEU B 28 -5.483 -12.774 1.428 1.00 0.00 C ATOM 1858 C LEU B 28 -6.378 -13.146 0.253 1.00 0.00 C ATOM 1859 O LEU B 28 -5.941 -13.115 -0.900 1.00 0.00 O ATOM 1860 CB LEU B 28 -5.432 -11.255 1.634 1.00 0.00 C ATOM 1861 CG LEU B 28 -6.835 -10.710 1.902 1.00 0.00 C ATOM 1862 CD1 LEU B 28 -7.319 -11.196 3.270 1.00 0.00 C ATOM 1863 CD2 LEU B 28 -6.793 -9.184 1.898 1.00 0.00 C ATOM 0 H LEU B 28 -3.772 -12.979 0.273 1.00 0.00 H new ATOM 0 HA LEU B 28 -5.883 -13.205 2.346 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -4.775 -11.016 2.471 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -5.010 -10.775 0.751 1.00 0.00 H new ATOM 0 HG LEU B 28 -7.516 -11.062 1.127 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -8.319 -10.807 3.461 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -7.345 -12.286 3.281 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -6.638 -10.842 4.044 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -7.792 -8.792 2.089 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -6.112 -8.837 2.675 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -6.445 -8.832 0.927 1.00 0.00 H new ATOM 1875 N SER B 29 -7.557 -13.623 0.545 1.00 0.00 N ATOM 1876 CA SER B 29 -8.479 -14.068 -0.475 1.00 0.00 C ATOM 1877 C SER B 29 -9.605 -13.049 -0.629 1.00 0.00 C ATOM 1878 O SER B 29 -9.772 -12.163 0.219 1.00 0.00 O ATOM 1879 CB SER B 29 -9.019 -15.460 -0.132 1.00 0.00 C ATOM 1880 OG SER B 29 -7.956 -16.259 0.399 1.00 0.00 O ATOM 0 H SER B 29 -7.910 -13.716 1.497 1.00 0.00 H new ATOM 0 HA SER B 29 -7.958 -14.145 -1.429 1.00 0.00 H new ATOM 0 HB2 SER B 29 -9.828 -15.381 0.594 1.00 0.00 H new ATOM 0 HB3 SER B 29 -9.435 -15.932 -1.022 1.00 0.00 H new ATOM 0 HG SER B 29 -7.572 -15.813 1.182 1.00 0.00 H new ATOM 1886 N LYS B 30 -10.295 -13.080 -1.753 1.00 0.00 N ATOM 1887 CA LYS B 30 -11.288 -12.059 -2.022 1.00 0.00 C ATOM 1888 C LYS B 30 -12.487 -12.163 -1.093 1.00 0.00 C ATOM 1889 O LYS B 30 -13.308 -11.252 -1.052 1.00 0.00 O ATOM 1890 CB LYS B 30 -11.735 -12.060 -3.489 1.00 0.00 C ATOM 1891 CG LYS B 30 -10.524 -12.084 -4.451 1.00 0.00 C ATOM 1892 CD LYS B 30 -9.491 -10.987 -4.088 1.00 0.00 C ATOM 1893 CE LYS B 30 -9.531 -9.846 -5.115 1.00 0.00 C ATOM 1894 NZ LYS B 30 -9.205 -10.367 -6.458 1.00 0.00 N ATOM 0 H LYS B 30 -10.190 -13.786 -2.481 1.00 0.00 H new ATOM 0 HA LYS B 30 -10.800 -11.104 -1.825 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -12.368 -12.928 -3.677 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -12.340 -11.175 -3.687 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -10.046 -13.063 -4.412 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -10.868 -11.937 -5.475 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -9.703 -10.596 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -8.491 -11.419 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -10.520 -9.387 -5.124 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -8.821 -9.068 -4.835 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -9.017 -9.573 -7.102 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -8.362 -10.973 -6.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -10.006 -10.923 -6.819 1.00 0.00 H new ATOM 1908 N LYS B 31 -12.542 -13.212 -0.286 1.00 0.00 N ATOM 1909 CA LYS B 31 -13.628 -13.337 0.677 1.00 0.00 C ATOM 1910 C LYS B 31 -13.460 -12.336 1.802 1.00 0.00 C ATOM 1911 O LYS B 31 -14.309 -11.461 1.994 1.00 0.00 O ATOM 1912 CB LYS B 31 -13.752 -14.778 1.221 1.00 0.00 C ATOM 1913 CG LYS B 31 -12.437 -15.252 1.854 1.00 0.00 C ATOM 1914 CD LYS B 31 -12.415 -16.784 1.930 1.00 0.00 C ATOM 1915 CE LYS B 31 -12.069 -17.378 0.562 1.00 0.00 C ATOM 1916 NZ LYS B 31 -13.297 -17.506 -0.265 1.00 0.00 N ATOM 0 H LYS B 31 -11.864 -13.974 -0.276 1.00 0.00 H new ATOM 0 HA LYS B 31 -14.559 -13.114 0.157 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -14.551 -14.822 1.962 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -14.031 -15.452 0.411 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -11.591 -14.896 1.265 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -12.331 -14.828 2.853 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -11.684 -17.108 2.670 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -13.386 -17.153 2.259 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -11.344 -16.742 0.054 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -11.603 -18.355 0.689 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -13.261 -18.394 -0.804 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -14.133 -17.510 0.353 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -13.357 -16.703 -0.924 1.00 0.00 H new ATOM 1930 N GLU B 32 -12.321 -12.390 2.476 1.00 0.00 N ATOM 1931 CA GLU B 32 -12.027 -11.425 3.511 1.00 0.00 C ATOM 1932 C GLU B 32 -11.722 -10.066 2.906 1.00 0.00 C ATOM 1933 O GLU B 32 -12.100 -9.039 3.448 1.00 0.00 O ATOM 1934 CB GLU B 32 -10.827 -11.881 4.347 1.00 0.00 C ATOM 1935 CG GLU B 32 -11.160 -13.173 5.104 1.00 0.00 C ATOM 1936 CD GLU B 32 -12.267 -12.939 6.104 1.00 0.00 C ATOM 1937 OE1 GLU B 32 -12.103 -12.090 6.947 1.00 0.00 O ATOM 1938 OE2 GLU B 32 -13.257 -13.629 6.029 1.00 0.00 O ATOM 0 H GLU B 32 -11.593 -13.088 2.323 1.00 0.00 H new ATOM 0 HA GLU B 32 -12.906 -11.346 4.151 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -9.966 -12.044 3.699 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -10.551 -11.099 5.054 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -11.460 -13.947 4.397 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -10.271 -13.538 5.618 1.00 0.00 H new ATOM 1945 N LEU B 33 -10.955 -10.060 1.826 1.00 0.00 N ATOM 1946 CA LEU B 33 -10.441 -8.803 1.276 1.00 0.00 C ATOM 1947 C LEU B 33 -11.559 -7.853 0.880 1.00 0.00 C ATOM 1948 O LEU B 33 -11.534 -6.675 1.252 1.00 0.00 O ATOM 1949 CB LEU B 33 -9.529 -9.097 0.063 1.00 0.00 C ATOM 1950 CG LEU B 33 -9.021 -7.801 -0.620 1.00 0.00 C ATOM 1951 CD1 LEU B 33 -10.089 -7.239 -1.566 1.00 0.00 C ATOM 1952 CD2 LEU B 33 -8.633 -6.740 0.421 1.00 0.00 C ATOM 0 H LEU B 33 -10.674 -10.897 1.315 1.00 0.00 H new ATOM 0 HA LEU B 33 -9.862 -8.310 2.057 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -8.676 -9.692 0.389 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -10.077 -9.697 -0.664 1.00 0.00 H new ATOM 0 HG LEU B 33 -8.132 -8.056 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -9.716 -6.330 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -10.319 -7.977 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -10.992 -7.010 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -8.281 -5.843 -0.088 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -9.502 -6.494 1.031 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -7.840 -7.130 1.060 1.00 0.00 H new ATOM 1964 N LYS B 34 -12.562 -8.348 0.178 1.00 0.00 N ATOM 1965 CA LYS B 34 -13.642 -7.463 -0.233 1.00 0.00 C ATOM 1966 C LYS B 34 -14.353 -6.924 0.994 1.00 0.00 C ATOM 1967 O LYS B 34 -14.679 -5.737 1.074 1.00 0.00 O ATOM 1968 CB LYS B 34 -14.652 -8.211 -1.105 1.00 0.00 C ATOM 1969 CG LYS B 34 -14.002 -8.637 -2.435 1.00 0.00 C ATOM 1970 CD LYS B 34 -15.054 -9.336 -3.318 1.00 0.00 C ATOM 1971 CE LYS B 34 -15.467 -10.686 -2.693 1.00 0.00 C ATOM 1972 NZ LYS B 34 -16.834 -11.036 -3.137 1.00 0.00 N ATOM 0 H LYS B 34 -12.654 -9.321 -0.112 1.00 0.00 H new ATOM 0 HA LYS B 34 -13.214 -6.643 -0.809 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -15.019 -9.090 -0.575 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -15.514 -7.574 -1.302 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -13.599 -7.766 -2.951 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -13.166 -9.310 -2.245 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -15.929 -8.696 -3.428 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -14.650 -9.499 -4.317 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -14.766 -11.466 -2.989 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -15.431 -10.622 -1.605 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -17.113 -11.945 -2.717 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -17.498 -10.295 -2.833 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -16.853 -11.114 -4.174 1.00 0.00 H new ATOM 1986 N GLU B 35 -14.604 -7.812 1.935 1.00 0.00 N ATOM 1987 CA GLU B 35 -15.305 -7.466 3.156 1.00 0.00 C ATOM 1988 C GLU B 35 -14.424 -6.654 4.105 1.00 0.00 C ATOM 1989 O GLU B 35 -14.839 -5.619 4.622 1.00 0.00 O ATOM 1990 CB GLU B 35 -15.825 -8.735 3.821 1.00 0.00 C ATOM 1991 CG GLU B 35 -16.906 -9.341 2.909 1.00 0.00 C ATOM 1992 CD GLU B 35 -17.374 -10.687 3.417 1.00 0.00 C ATOM 1993 OE1 GLU B 35 -16.997 -11.061 4.504 1.00 0.00 O ATOM 1994 OE2 GLU B 35 -18.101 -11.337 2.703 1.00 0.00 O ATOM 0 H GLU B 35 -14.328 -8.792 1.875 1.00 0.00 H new ATOM 0 HA GLU B 35 -16.153 -6.829 2.902 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -15.013 -9.446 3.973 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -16.239 -8.508 4.804 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -17.755 -8.660 2.848 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -16.511 -9.450 1.899 1.00 0.00 H new ATOM 2001 N LEU B 36 -13.199 -7.094 4.300 1.00 0.00 N ATOM 2002 CA LEU B 36 -12.272 -6.381 5.166 1.00 0.00 C ATOM 2003 C LEU B 36 -11.968 -4.991 4.641 1.00 0.00 C ATOM 2004 O LEU B 36 -11.945 -4.025 5.403 1.00 0.00 O ATOM 2005 CB LEU B 36 -10.982 -7.215 5.424 1.00 0.00 C ATOM 2006 CG LEU B 36 -9.732 -6.579 4.774 1.00 0.00 C ATOM 2007 CD1 LEU B 36 -9.209 -5.438 5.638 1.00 0.00 C ATOM 2008 CD2 LEU B 36 -8.637 -7.639 4.644 1.00 0.00 C ATOM 0 H LEU B 36 -12.819 -7.939 3.874 1.00 0.00 H new ATOM 0 HA LEU B 36 -12.759 -6.245 6.131 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -10.822 -7.309 6.498 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -11.119 -8.223 5.032 1.00 0.00 H new ATOM 0 HG LEU B 36 -10.005 -6.192 3.792 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -8.329 -5.000 5.168 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -9.982 -4.677 5.742 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -8.942 -5.821 6.623 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.753 -7.195 4.186 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -8.381 -8.020 5.632 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -8.996 -8.458 4.021 1.00 0.00 H new ATOM 2020 N LEU B 37 -11.754 -4.885 3.341 1.00 0.00 N ATOM 2021 CA LEU B 37 -11.397 -3.604 2.744 1.00 0.00 C ATOM 2022 C LEU B 37 -12.499 -2.581 2.968 1.00 0.00 C ATOM 2023 O LEU B 37 -12.247 -1.491 3.484 1.00 0.00 O ATOM 2024 CB LEU B 37 -11.114 -3.797 1.238 1.00 0.00 C ATOM 2025 CG LEU B 37 -10.826 -2.462 0.524 1.00 0.00 C ATOM 2026 CD1 LEU B 37 -12.130 -1.701 0.271 1.00 0.00 C ATOM 2027 CD2 LEU B 37 -9.875 -1.603 1.355 1.00 0.00 C ATOM 0 H LEU B 37 -11.820 -5.661 2.682 1.00 0.00 H new ATOM 0 HA LEU B 37 -10.495 -3.225 3.224 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -10.262 -4.465 1.113 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -11.970 -4.281 0.768 1.00 0.00 H new ATOM 0 HG LEU B 37 -10.353 -2.682 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -11.910 -0.760 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -12.788 -2.304 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -12.622 -1.496 1.222 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -9.684 -0.665 0.835 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -10.327 -1.394 2.325 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -8.935 -2.136 1.499 1.00 0.00 H new ATOM 2039 N GLN B 38 -13.727 -2.970 2.694 1.00 0.00 N ATOM 2040 CA GLN B 38 -14.854 -2.085 2.943 1.00 0.00 C ATOM 2041 C GLN B 38 -14.983 -1.817 4.433 1.00 0.00 C ATOM 2042 O GLN B 38 -15.235 -0.685 4.860 1.00 0.00 O ATOM 2043 CB GLN B 38 -16.156 -2.669 2.359 1.00 0.00 C ATOM 2044 CG GLN B 38 -16.430 -4.060 2.943 1.00 0.00 C ATOM 2045 CD GLN B 38 -17.526 -4.759 2.153 1.00 0.00 C ATOM 2046 OE1 GLN B 38 -18.663 -4.846 2.608 1.00 0.00 O ATOM 2047 NE2 GLN B 38 -17.247 -5.279 1.001 1.00 0.00 N ATOM 0 H GLN B 38 -13.972 -3.880 2.304 1.00 0.00 H new ATOM 0 HA GLN B 38 -14.673 -1.136 2.439 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -16.991 -2.004 2.580 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -16.078 -2.733 1.274 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -15.519 -4.657 2.920 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -16.726 -3.971 3.988 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -16.302 -5.206 0.624 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -17.972 -5.762 0.470 1.00 0.00 H new ATOM 2056 N THR B 39 -14.781 -2.854 5.220 1.00 0.00 N ATOM 2057 CA THR B 39 -14.838 -2.734 6.664 1.00 0.00 C ATOM 2058 C THR B 39 -13.742 -1.800 7.206 1.00 0.00 C ATOM 2059 O THR B 39 -14.026 -0.873 7.966 1.00 0.00 O ATOM 2060 CB THR B 39 -14.704 -4.128 7.285 1.00 0.00 C ATOM 2061 OG1 THR B 39 -15.665 -5.005 6.701 1.00 0.00 O ATOM 2062 CG2 THR B 39 -14.914 -4.065 8.789 1.00 0.00 C ATOM 0 H THR B 39 -14.575 -3.794 4.882 1.00 0.00 H new ATOM 0 HA THR B 39 -15.797 -2.293 6.936 1.00 0.00 H new ATOM 0 HB THR B 39 -13.700 -4.504 7.090 1.00 0.00 H new ATOM 0 HG1 THR B 39 -15.218 -5.608 6.071 1.00 0.00 H new ATOM 0 HG21 THR B 39 -14.815 -5.065 9.212 1.00 0.00 H new ATOM 0 HG22 THR B 39 -14.167 -3.407 9.233 1.00 0.00 H new ATOM 0 HG23 THR B 39 -15.911 -3.678 9.001 1.00 0.00 H new ATOM 2070 N GLU B 40 -12.500 -2.051 6.818 1.00 0.00 N ATOM 2071 CA GLU B 40 -11.383 -1.253 7.312 1.00 0.00 C ATOM 2072 C GLU B 40 -11.388 0.156 6.741 1.00 0.00 C ATOM 2073 O GLU B 40 -11.059 1.117 7.441 1.00 0.00 O ATOM 2074 CB GLU B 40 -10.050 -1.936 7.013 1.00 0.00 C ATOM 2075 CG GLU B 40 -9.951 -3.252 7.796 1.00 0.00 C ATOM 2076 CD GLU B 40 -9.975 -2.991 9.284 1.00 0.00 C ATOM 2077 OE1 GLU B 40 -9.153 -2.225 9.749 1.00 0.00 O ATOM 2078 OE2 GLU B 40 -10.826 -3.547 9.944 1.00 0.00 O ATOM 0 H GLU B 40 -12.240 -2.793 6.169 1.00 0.00 H new ATOM 0 HA GLU B 40 -11.506 -1.173 8.392 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -9.963 -2.131 5.944 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -9.225 -1.278 7.285 1.00 0.00 H new ATOM 0 HG2 GLU B 40 -10.779 -3.906 7.523 1.00 0.00 H new ATOM 0 HG3 GLU B 40 -9.032 -3.772 7.528 1.00 0.00 H new ATOM 2085 N LEU B 41 -11.702 0.271 5.459 1.00 0.00 N ATOM 2086 CA LEU B 41 -11.668 1.562 4.781 1.00 0.00 C ATOM 2087 C LEU B 41 -13.062 2.133 4.617 1.00 0.00 C ATOM 2088 O LEU B 41 -13.341 2.834 3.643 1.00 0.00 O ATOM 2089 CB LEU B 41 -10.991 1.446 3.406 1.00 0.00 C ATOM 2090 CG LEU B 41 -9.466 1.572 3.556 1.00 0.00 C ATOM 2091 CD1 LEU B 41 -8.920 0.394 4.362 1.00 0.00 C ATOM 2092 CD2 LEU B 41 -8.808 1.597 2.172 1.00 0.00 C ATOM 0 H LEU B 41 -11.983 -0.511 4.867 1.00 0.00 H new ATOM 0 HA LEU B 41 -11.085 2.239 5.405 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -11.241 0.489 2.948 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -11.364 2.225 2.741 1.00 0.00 H new ATOM 0 HG LEU B 41 -9.238 2.500 4.081 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -7.839 0.492 4.463 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -9.378 0.387 5.351 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -9.153 -0.538 3.847 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -7.728 1.686 2.284 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -9.042 0.674 1.641 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -9.185 2.448 1.605 1.00 0.00 H new ATOM 2104 N SER B 42 -13.944 1.828 5.549 1.00 0.00 N ATOM 2105 CA SER B 42 -15.307 2.312 5.458 1.00 0.00 C ATOM 2106 C SER B 42 -15.331 3.828 5.280 1.00 0.00 C ATOM 2107 O SER B 42 -16.092 4.346 4.472 1.00 0.00 O ATOM 2108 CB SER B 42 -16.102 1.908 6.692 1.00 0.00 C ATOM 2109 OG SER B 42 -16.154 0.479 6.767 1.00 0.00 O ATOM 0 H SER B 42 -13.745 1.254 6.368 1.00 0.00 H new ATOM 0 HA SER B 42 -15.772 1.857 4.584 1.00 0.00 H new ATOM 0 HB2 SER B 42 -15.636 2.315 7.590 1.00 0.00 H new ATOM 0 HB3 SER B 42 -17.110 2.319 6.641 1.00 0.00 H new ATOM 0 HG SER B 42 -15.763 0.094 5.955 1.00 0.00 H new ATOM 2115 N GLY B 43 -14.440 4.523 5.963 1.00 0.00 N ATOM 2116 CA GLY B 43 -14.344 5.965 5.807 1.00 0.00 C ATOM 2117 C GLY B 43 -13.941 6.322 4.383 1.00 0.00 C ATOM 2118 O GLY B 43 -14.612 7.135 3.722 1.00 0.00 O ATOM 0 H GLY B 43 -13.778 4.119 6.625 1.00 0.00 H new ATOM 0 HA2 GLY B 43 -15.302 6.427 6.047 1.00 0.00 H new ATOM 0 HA3 GLY B 43 -13.612 6.365 6.509 1.00 0.00 H new ATOM 2122 N PHE B 44 -12.894 5.664 3.880 1.00 0.00 N ATOM 2123 CA PHE B 44 -12.461 5.864 2.491 1.00 0.00 C ATOM 2124 C PHE B 44 -13.529 5.396 1.528 1.00 0.00 C ATOM 2125 O PHE B 44 -13.888 6.099 0.591 1.00 0.00 O ATOM 2126 CB PHE B 44 -11.136 5.139 2.205 1.00 0.00 C ATOM 2127 CG PHE B 44 -9.973 6.064 2.488 1.00 0.00 C ATOM 2128 CD1 PHE B 44 -9.515 6.924 1.491 1.00 0.00 C ATOM 2129 CD2 PHE B 44 -9.358 6.056 3.731 1.00 0.00 C ATOM 2130 CE1 PHE B 44 -8.443 7.785 1.742 1.00 0.00 C ATOM 2131 CE2 PHE B 44 -8.285 6.911 3.988 1.00 0.00 C ATOM 2132 CZ PHE B 44 -7.829 7.778 2.995 1.00 0.00 C ATOM 0 H PHE B 44 -12.333 4.994 4.406 1.00 0.00 H new ATOM 0 HA PHE B 44 -12.299 6.932 2.348 1.00 0.00 H new ATOM 0 HB2 PHE B 44 -11.060 4.245 2.823 1.00 0.00 H new ATOM 0 HB3 PHE B 44 -11.107 4.811 1.166 1.00 0.00 H new ATOM 0 HD1 PHE B 44 -9.990 6.925 0.521 1.00 0.00 H new ATOM 0 HD2 PHE B 44 -9.710 5.387 4.502 1.00 0.00 H new ATOM 0 HE1 PHE B 44 -8.091 8.453 0.969 1.00 0.00 H new ATOM 0 HE2 PHE B 44 -7.807 6.901 4.957 1.00 0.00 H new ATOM 0 HZ PHE B 44 -7.002 8.443 3.196 1.00 0.00 H new ATOM 2142 N LEU B 45 -14.085 4.238 1.819 1.00 0.00 N ATOM 2143 CA LEU B 45 -15.165 3.679 1.028 1.00 0.00 C ATOM 2144 C LEU B 45 -16.381 4.582 1.056 1.00 0.00 C ATOM 2145 O LEU B 45 -16.983 4.866 0.020 1.00 0.00 O ATOM 2146 CB LEU B 45 -15.503 2.261 1.551 1.00 0.00 C ATOM 2147 CG LEU B 45 -16.983 1.916 1.326 1.00 0.00 C ATOM 2148 CD1 LEU B 45 -17.363 2.064 -0.146 1.00 0.00 C ATOM 2149 CD2 LEU B 45 -17.244 0.476 1.776 1.00 0.00 C ATOM 0 H LEU B 45 -13.803 3.658 2.609 1.00 0.00 H new ATOM 0 HA LEU B 45 -14.846 3.603 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -14.876 1.527 1.045 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -15.272 2.199 2.614 1.00 0.00 H new ATOM 0 HG LEU B 45 -17.591 2.607 1.910 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -18.416 1.814 -0.277 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -17.192 3.092 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -16.753 1.392 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -18.294 0.230 1.617 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -16.620 -0.205 1.197 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -17.004 0.377 2.835 1.00 0.00 H new ATOM 2161 N ASP B 46 -16.726 5.057 2.228 1.00 0.00 N ATOM 2162 CA ASP B 46 -17.881 5.910 2.369 1.00 0.00 C ATOM 2163 C ASP B 46 -17.748 7.169 1.539 1.00 0.00 C ATOM 2164 O ASP B 46 -18.647 7.512 0.765 1.00 0.00 O ATOM 2165 CB ASP B 46 -18.138 6.227 3.832 1.00 0.00 C ATOM 2166 CG ASP B 46 -19.263 7.216 3.966 1.00 0.00 C ATOM 2167 OD1 ASP B 46 -20.317 6.955 3.433 1.00 0.00 O ATOM 2168 OD2 ASP B 46 -19.061 8.219 4.609 1.00 0.00 O ATOM 0 H ASP B 46 -16.225 4.868 3.096 1.00 0.00 H new ATOM 0 HA ASP B 46 -18.747 5.369 1.987 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -18.384 5.312 4.371 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -17.234 6.632 4.287 1.00 0.00 H new ATOM 2173 N ALA B 47 -16.587 7.780 1.593 1.00 0.00 N ATOM 2174 CA ALA B 47 -16.308 8.920 0.734 1.00 0.00 C ATOM 2175 C ALA B 47 -16.302 8.482 -0.725 1.00 0.00 C ATOM 2176 O ALA B 47 -16.462 9.300 -1.639 1.00 0.00 O ATOM 2177 CB ALA B 47 -14.975 9.570 1.105 1.00 0.00 C ATOM 0 H ALA B 47 -15.823 7.514 2.215 1.00 0.00 H new ATOM 0 HA ALA B 47 -17.094 9.662 0.877 1.00 0.00 H new ATOM 0 HB1 ALA B 47 -14.789 10.420 0.448 1.00 0.00 H new ATOM 0 HB2 ALA B 47 -15.012 9.912 2.139 1.00 0.00 H new ATOM 0 HB3 ALA B 47 -14.171 8.842 0.992 1.00 0.00 H new ATOM 2183 N GLN B 48 -16.042 7.205 -0.938 1.00 0.00 N ATOM 2184 CA GLN B 48 -15.937 6.647 -2.277 1.00 0.00 C ATOM 2185 C GLN B 48 -17.244 6.027 -2.763 1.00 0.00 C ATOM 2186 O GLN B 48 -17.249 5.360 -3.799 1.00 0.00 O ATOM 2187 CB GLN B 48 -14.801 5.611 -2.367 1.00 0.00 C ATOM 2188 CG GLN B 48 -13.609 6.215 -3.118 1.00 0.00 C ATOM 2189 CD GLN B 48 -13.901 6.257 -4.616 1.00 0.00 C ATOM 2190 OE1 GLN B 48 -13.030 6.599 -5.409 1.00 0.00 O ATOM 2191 NE2 GLN B 48 -15.085 5.928 -5.054 1.00 0.00 N ATOM 0 H GLN B 48 -15.898 6.526 -0.191 1.00 0.00 H new ATOM 0 HA GLN B 48 -15.706 7.486 -2.933 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -14.495 5.304 -1.367 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -15.152 4.716 -2.881 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -13.409 7.221 -2.750 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -12.713 5.623 -2.930 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -15.811 5.643 -4.397 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -15.285 5.956 -6.054 1.00 0.00 H new ATOM 2200 N LYS B 49 -18.346 6.249 -2.055 1.00 0.00 N ATOM 2201 CA LYS B 49 -19.615 5.651 -2.488 1.00 0.00 C ATOM 2202 C LYS B 49 -20.002 6.091 -3.891 1.00 0.00 C ATOM 2203 O LYS B 49 -20.517 5.288 -4.668 1.00 0.00 O ATOM 2204 CB LYS B 49 -20.776 5.991 -1.538 1.00 0.00 C ATOM 2205 CG LYS B 49 -20.696 5.198 -0.225 1.00 0.00 C ATOM 2206 CD LYS B 49 -21.899 5.602 0.653 1.00 0.00 C ATOM 2207 CE LYS B 49 -22.039 4.669 1.865 1.00 0.00 C ATOM 2208 NZ LYS B 49 -20.805 4.699 2.686 1.00 0.00 N ATOM 0 H LYS B 49 -18.395 6.816 -1.209 1.00 0.00 H new ATOM 0 HA LYS B 49 -19.445 4.574 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -20.764 7.059 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -21.724 5.778 -2.033 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -20.714 4.127 -0.426 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -19.760 5.410 0.291 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -21.775 6.630 0.994 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -22.813 5.571 0.059 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -22.893 4.974 2.470 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -22.234 3.651 1.528 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -21.034 4.436 3.666 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -20.114 4.025 2.299 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -20.401 5.657 2.670 1.00 0.00 H new ATOM 2222 N ASP B 50 -19.830 7.371 -4.198 1.00 0.00 N ATOM 2223 CA ASP B 50 -20.283 7.882 -5.490 1.00 0.00 C ATOM 2224 C ASP B 50 -19.147 8.383 -6.367 1.00 0.00 C ATOM 2225 O ASP B 50 -19.341 9.286 -7.185 1.00 0.00 O ATOM 2226 CB ASP B 50 -21.347 8.974 -5.310 1.00 0.00 C ATOM 2227 CG ASP B 50 -22.199 9.064 -6.559 1.00 0.00 C ATOM 2228 OD1 ASP B 50 -22.776 8.062 -6.935 1.00 0.00 O ATOM 2229 OD2 ASP B 50 -22.277 10.130 -7.127 1.00 0.00 O ATOM 0 H ASP B 50 -19.391 8.061 -3.588 1.00 0.00 H new ATOM 0 HA ASP B 50 -20.730 7.035 -6.010 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -21.972 8.748 -4.446 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -20.868 9.934 -5.114 1.00 0.00 H new ATOM 2234 N VAL B 51 -18.003 7.729 -6.294 1.00 0.00 N ATOM 2235 CA VAL B 51 -16.915 8.042 -7.214 1.00 0.00 C ATOM 2236 C VAL B 51 -16.505 6.774 -7.951 1.00 0.00 C ATOM 2237 O VAL B 51 -16.157 5.772 -7.329 1.00 0.00 O ATOM 2238 CB VAL B 51 -15.716 8.660 -6.477 1.00 0.00 C ATOM 2239 CG1 VAL B 51 -14.878 9.491 -7.455 1.00 0.00 C ATOM 2240 CG2 VAL B 51 -16.203 9.558 -5.333 1.00 0.00 C ATOM 0 H VAL B 51 -17.800 6.990 -5.621 1.00 0.00 H new ATOM 0 HA VAL B 51 -17.264 8.783 -7.933 1.00 0.00 H new ATOM 0 HB VAL B 51 -15.106 7.856 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -14.029 9.927 -6.928 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -14.516 8.850 -8.259 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -15.492 10.288 -7.875 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -15.344 9.990 -4.819 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -16.824 10.358 -5.737 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -16.787 8.966 -4.629 1.00 0.00 H new ATOM 2250 N ASP B 52 -16.581 6.820 -9.273 1.00 0.00 N ATOM 2251 CA ASP B 52 -16.332 5.646 -10.119 1.00 0.00 C ATOM 2252 C ASP B 52 -14.899 5.131 -10.007 1.00 0.00 C ATOM 2253 O ASP B 52 -14.552 4.075 -10.567 1.00 0.00 O ATOM 2254 CB ASP B 52 -16.688 5.953 -11.573 1.00 0.00 C ATOM 2255 CG ASP B 52 -16.743 4.680 -12.388 1.00 0.00 C ATOM 2256 OD1 ASP B 52 -17.322 3.719 -11.933 1.00 0.00 O ATOM 2257 OD2 ASP B 52 -16.202 4.677 -13.465 1.00 0.00 O ATOM 0 H ASP B 52 -16.815 7.665 -9.794 1.00 0.00 H new ATOM 0 HA ASP B 52 -16.978 4.847 -9.755 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -17.651 6.462 -11.618 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -15.949 6.632 -11.998 1.00 0.00 H new ATOM 2262 N ALA B 53 -14.058 5.892 -9.337 1.00 0.00 N ATOM 2263 CA ALA B 53 -12.663 5.518 -9.162 1.00 0.00 C ATOM 2264 C ALA B 53 -12.537 4.235 -8.343 1.00 0.00 C ATOM 2265 O ALA B 53 -11.677 3.394 -8.619 1.00 0.00 O ATOM 2266 CB ALA B 53 -11.884 6.644 -8.493 1.00 0.00 C ATOM 0 H ALA B 53 -14.315 6.778 -8.902 1.00 0.00 H new ATOM 0 HA ALA B 53 -12.241 5.338 -10.151 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -10.843 6.344 -8.371 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -11.934 7.539 -9.113 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -12.317 6.855 -7.515 1.00 0.00 H new ATOM 2272 N VAL B 54 -13.408 4.078 -7.348 1.00 0.00 N ATOM 2273 CA VAL B 54 -13.377 2.890 -6.499 1.00 0.00 C ATOM 2274 C VAL B 54 -13.570 1.647 -7.354 1.00 0.00 C ATOM 2275 O VAL B 54 -12.916 0.623 -7.140 1.00 0.00 O ATOM 2276 CB VAL B 54 -14.476 2.970 -5.398 1.00 0.00 C ATOM 2277 CG1 VAL B 54 -15.875 3.036 -6.031 1.00 0.00 C ATOM 2278 CG2 VAL B 54 -14.402 1.744 -4.471 1.00 0.00 C ATOM 0 H VAL B 54 -14.137 4.751 -7.112 1.00 0.00 H new ATOM 0 HA VAL B 54 -12.408 2.836 -6.003 1.00 0.00 H new ATOM 0 HB VAL B 54 -14.300 3.876 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -16.628 3.091 -5.245 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -15.946 3.920 -6.665 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -16.044 2.143 -6.633 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -15.177 1.817 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -14.553 0.836 -5.055 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -13.424 1.709 -3.992 1.00 0.00 H new ATOM 2288 N ASP B 55 -14.430 1.758 -8.355 1.00 0.00 N ATOM 2289 CA ASP B 55 -14.715 0.637 -9.230 1.00 0.00 C ATOM 2290 C ASP B 55 -13.445 0.181 -9.897 1.00 0.00 C ATOM 2291 O ASP B 55 -13.216 -1.010 -10.065 1.00 0.00 O ATOM 2292 CB ASP B 55 -15.697 1.046 -10.321 1.00 0.00 C ATOM 2293 CG ASP B 55 -16.291 -0.190 -10.958 1.00 0.00 C ATOM 2294 OD1 ASP B 55 -17.022 -0.875 -10.281 1.00 0.00 O ATOM 2295 OD2 ASP B 55 -16.006 -0.442 -12.109 1.00 0.00 O ATOM 0 H ASP B 55 -14.940 2.612 -8.579 1.00 0.00 H new ATOM 0 HA ASP B 55 -15.144 -0.164 -8.627 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -16.488 1.666 -9.899 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -15.189 1.648 -11.075 1.00 0.00 H new ATOM 2300 N LYS B 56 -12.645 1.143 -10.319 1.00 0.00 N ATOM 2301 CA LYS B 56 -11.416 0.848 -11.040 1.00 0.00 C ATOM 2302 C LYS B 56 -10.481 0.071 -10.140 1.00 0.00 C ATOM 2303 O LYS B 56 -9.910 -0.949 -10.531 1.00 0.00 O ATOM 2304 CB LYS B 56 -10.728 2.149 -11.467 1.00 0.00 C ATOM 2305 CG LYS B 56 -11.728 3.060 -12.179 1.00 0.00 C ATOM 2306 CD LYS B 56 -12.352 2.326 -13.361 1.00 0.00 C ATOM 2307 CE LYS B 56 -13.275 3.280 -14.121 1.00 0.00 C ATOM 2308 NZ LYS B 56 -13.888 4.253 -13.172 1.00 0.00 N ATOM 0 H LYS B 56 -12.823 2.137 -10.176 1.00 0.00 H new ATOM 0 HA LYS B 56 -11.659 0.261 -11.926 1.00 0.00 H new ATOM 0 HB2 LYS B 56 -10.318 2.657 -10.594 1.00 0.00 H new ATOM 0 HB3 LYS B 56 -9.891 1.927 -12.129 1.00 0.00 H new ATOM 0 HG2 LYS B 56 -12.506 3.374 -11.483 1.00 0.00 H new ATOM 0 HG3 LYS B 56 -11.227 3.964 -12.525 1.00 0.00 H new ATOM 0 HD2 LYS B 56 -11.572 1.952 -14.024 1.00 0.00 H new ATOM 0 HD3 LYS B 56 -12.914 1.461 -13.010 1.00 0.00 H new ATOM 0 HE2 LYS B 56 -12.712 3.812 -14.888 1.00 0.00 H new ATOM 0 HE3 LYS B 56 -14.055 2.716 -14.632 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 -14.778 4.613 -13.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 -14.081 3.780 -12.266 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 -13.233 5.045 -13.016 1.00 0.00 H new ATOM 2322 N VAL B 57 -10.377 0.522 -8.913 1.00 0.00 N ATOM 2323 CA VAL B 57 -9.557 -0.154 -7.940 1.00 0.00 C ATOM 2324 C VAL B 57 -10.139 -1.535 -7.676 1.00 0.00 C ATOM 2325 O VAL B 57 -9.425 -2.543 -7.690 1.00 0.00 O ATOM 2326 CB VAL B 57 -9.512 0.656 -6.649 1.00 0.00 C ATOM 2327 CG1 VAL B 57 -8.629 -0.062 -5.636 1.00 0.00 C ATOM 2328 CG2 VAL B 57 -8.956 2.061 -6.930 1.00 0.00 C ATOM 0 H VAL B 57 -10.851 1.356 -8.565 1.00 0.00 H new ATOM 0 HA VAL B 57 -8.541 -0.256 -8.320 1.00 0.00 H new ATOM 0 HB VAL B 57 -10.520 0.754 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -8.594 0.514 -4.711 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -9.039 -1.051 -5.432 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -7.621 -0.163 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -8.927 2.633 -6.003 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -7.948 1.979 -7.337 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -9.598 2.569 -7.650 1.00 0.00 H new ATOM 2338 N MET B 58 -11.457 -1.576 -7.517 1.00 0.00 N ATOM 2339 CA MET B 58 -12.162 -2.828 -7.327 1.00 0.00 C ATOM 2340 C MET B 58 -11.935 -3.701 -8.533 1.00 0.00 C ATOM 2341 O MET B 58 -11.677 -4.907 -8.420 1.00 0.00 O ATOM 2342 CB MET B 58 -13.663 -2.557 -7.187 1.00 0.00 C ATOM 2343 CG MET B 58 -13.918 -1.660 -5.977 1.00 0.00 C ATOM 2344 SD MET B 58 -14.347 -2.685 -4.550 1.00 0.00 S ATOM 2345 CE MET B 58 -16.145 -2.514 -4.711 1.00 0.00 C ATOM 0 H MET B 58 -12.056 -0.751 -7.517 1.00 0.00 H new ATOM 0 HA MET B 58 -11.795 -3.322 -6.427 1.00 0.00 H new ATOM 0 HB2 MET B 58 -14.041 -2.079 -8.091 1.00 0.00 H new ATOM 0 HB3 MET B 58 -14.202 -3.497 -7.074 1.00 0.00 H new ATOM 0 HG2 MET B 58 -13.031 -1.065 -5.758 1.00 0.00 H new ATOM 0 HG3 MET B 58 -14.726 -0.961 -6.193 1.00 0.00 H new ATOM 0 HE1 MET B 58 -16.637 -3.077 -3.917 1.00 0.00 H new ATOM 0 HE2 MET B 58 -16.419 -1.462 -4.633 1.00 0.00 H new ATOM 0 HE3 MET B 58 -16.462 -2.901 -5.680 1.00 0.00 H new ATOM 2355 N LYS B 59 -11.998 -3.070 -9.691 1.00 0.00 N ATOM 2356 CA LYS B 59 -11.814 -3.749 -10.944 1.00 0.00 C ATOM 2357 C LYS B 59 -10.434 -4.368 -10.989 1.00 0.00 C ATOM 2358 O LYS B 59 -10.290 -5.534 -11.351 1.00 0.00 O ATOM 2359 CB LYS B 59 -11.975 -2.758 -12.100 1.00 0.00 C ATOM 2360 CG LYS B 59 -12.009 -3.513 -13.442 1.00 0.00 C ATOM 2361 CD LYS B 59 -13.406 -4.123 -13.677 1.00 0.00 C ATOM 2362 CE LYS B 59 -13.505 -5.560 -13.120 1.00 0.00 C ATOM 2363 NZ LYS B 59 -12.168 -6.233 -13.121 1.00 0.00 N ATOM 0 H LYS B 59 -12.179 -2.070 -9.781 1.00 0.00 H new ATOM 0 HA LYS B 59 -12.564 -4.534 -11.040 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -12.893 -2.185 -11.973 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -11.151 -2.045 -12.096 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -11.760 -2.833 -14.256 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -11.256 -4.301 -13.443 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -14.161 -3.496 -13.202 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -13.624 -4.131 -14.745 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -13.901 -5.533 -12.105 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -14.207 -6.138 -13.721 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -12.295 -7.257 -12.989 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -11.692 -6.057 -14.029 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -11.588 -5.853 -12.346 1.00 0.00 H new ATOM 2377 N GLU B 60 -9.431 -3.600 -10.578 1.00 0.00 N ATOM 2378 CA GLU B 60 -8.061 -4.088 -10.535 1.00 0.00 C ATOM 2379 C GLU B 60 -7.959 -5.294 -9.624 1.00 0.00 C ATOM 2380 O GLU B 60 -7.429 -6.342 -10.015 1.00 0.00 O ATOM 2381 CB GLU B 60 -7.118 -2.976 -10.062 1.00 0.00 C ATOM 2382 CG GLU B 60 -6.480 -2.294 -11.279 1.00 0.00 C ATOM 2383 CD GLU B 60 -5.134 -2.927 -11.603 1.00 0.00 C ATOM 2384 OE1 GLU B 60 -4.459 -3.348 -10.690 1.00 0.00 O ATOM 2385 OE2 GLU B 60 -4.791 -2.966 -12.750 1.00 0.00 O ATOM 0 H GLU B 60 -9.544 -2.634 -10.269 1.00 0.00 H new ATOM 0 HA GLU B 60 -7.765 -4.390 -11.540 1.00 0.00 H new ATOM 0 HB2 GLU B 60 -7.669 -2.245 -9.469 1.00 0.00 H new ATOM 0 HB3 GLU B 60 -6.344 -3.391 -9.417 1.00 0.00 H new ATOM 0 HG2 GLU B 60 -7.144 -2.378 -12.139 1.00 0.00 H new ATOM 0 HG3 GLU B 60 -6.349 -1.230 -11.080 1.00 0.00 H new ATOM 2392 N LEU B 61 -8.542 -5.188 -8.447 1.00 0.00 N ATOM 2393 CA LEU B 61 -8.593 -6.323 -7.542 1.00 0.00 C ATOM 2394 C LEU B 61 -9.405 -7.443 -8.152 1.00 0.00 C ATOM 2395 O LEU B 61 -9.033 -8.611 -8.050 1.00 0.00 O ATOM 2396 CB LEU B 61 -9.117 -5.936 -6.158 1.00 0.00 C ATOM 2397 CG LEU B 61 -7.966 -5.379 -5.289 1.00 0.00 C ATOM 2398 CD1 LEU B 61 -7.123 -6.534 -4.729 1.00 0.00 C ATOM 2399 CD2 LEU B 61 -7.068 -4.435 -6.107 1.00 0.00 C ATOM 0 H LEU B 61 -8.983 -4.338 -8.096 1.00 0.00 H new ATOM 0 HA LEU B 61 -7.573 -6.678 -7.395 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -9.904 -5.188 -6.255 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -9.561 -6.805 -5.673 1.00 0.00 H new ATOM 0 HG LEU B 61 -8.404 -4.816 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -6.315 -6.132 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -7.752 -7.181 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -6.703 -7.111 -5.553 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -6.266 -4.056 -5.474 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -6.640 -4.979 -6.949 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -7.662 -3.600 -6.479 1.00 0.00 H new ATOM 2411 N ASP B 62 -10.491 -7.086 -8.824 1.00 0.00 N ATOM 2412 CA ASP B 62 -11.311 -8.081 -9.512 1.00 0.00 C ATOM 2413 C ASP B 62 -10.485 -8.817 -10.548 1.00 0.00 C ATOM 2414 O ASP B 62 -10.509 -10.045 -10.620 1.00 0.00 O ATOM 2415 CB ASP B 62 -12.513 -7.417 -10.185 1.00 0.00 C ATOM 2416 CG ASP B 62 -13.252 -8.428 -11.026 1.00 0.00 C ATOM 2417 OD1 ASP B 62 -13.840 -9.320 -10.470 1.00 0.00 O ATOM 2418 OD2 ASP B 62 -13.217 -8.291 -12.230 1.00 0.00 O ATOM 0 H ASP B 62 -10.825 -6.126 -8.909 1.00 0.00 H new ATOM 0 HA ASP B 62 -11.674 -8.794 -8.772 1.00 0.00 H new ATOM 0 HB2 ASP B 62 -13.180 -7.001 -9.430 1.00 0.00 H new ATOM 0 HB3 ASP B 62 -12.180 -6.587 -10.808 1.00 0.00 H new ATOM 2423 N GLU B 63 -9.676 -8.073 -11.276 1.00 0.00 N ATOM 2424 CA GLU B 63 -8.769 -8.666 -12.248 1.00 0.00 C ATOM 2425 C GLU B 63 -7.770 -9.536 -11.509 1.00 0.00 C ATOM 2426 O GLU B 63 -7.482 -10.655 -11.912 1.00 0.00 O ATOM 2427 CB GLU B 63 -8.039 -7.570 -13.023 1.00 0.00 C ATOM 2428 CG GLU B 63 -9.057 -6.799 -13.878 1.00 0.00 C ATOM 2429 CD GLU B 63 -8.391 -5.648 -14.611 1.00 0.00 C ATOM 2430 OE1 GLU B 63 -7.186 -5.634 -14.687 1.00 0.00 O ATOM 2431 OE2 GLU B 63 -9.097 -4.808 -15.109 1.00 0.00 O ATOM 0 H GLU B 63 -9.626 -7.056 -11.215 1.00 0.00 H new ATOM 0 HA GLU B 63 -9.332 -9.271 -12.959 1.00 0.00 H new ATOM 0 HB2 GLU B 63 -7.537 -6.892 -12.333 1.00 0.00 H new ATOM 0 HB3 GLU B 63 -7.269 -8.007 -13.658 1.00 0.00 H new ATOM 0 HG2 GLU B 63 -9.519 -7.475 -14.598 1.00 0.00 H new ATOM 0 HG3 GLU B 63 -9.856 -6.417 -13.242 1.00 0.00 H new ATOM 2438 N ASN B 64 -7.372 -9.069 -10.341 1.00 0.00 N ATOM 2439 CA ASN B 64 -6.526 -9.852 -9.446 1.00 0.00 C ATOM 2440 C ASN B 64 -7.369 -10.821 -8.625 1.00 0.00 C ATOM 2441 O ASN B 64 -7.130 -11.038 -7.426 1.00 0.00 O ATOM 2442 CB ASN B 64 -5.690 -8.943 -8.539 1.00 0.00 C ATOM 2443 CG ASN B 64 -4.232 -8.993 -8.975 1.00 0.00 C ATOM 2444 OD1 ASN B 64 -3.625 -10.067 -8.981 1.00 0.00 O ATOM 2445 ND2 ASN B 64 -3.630 -7.907 -9.340 1.00 0.00 N ATOM 0 H ASN B 64 -7.620 -8.146 -9.984 1.00 0.00 H new ATOM 0 HA ASN B 64 -5.834 -10.434 -10.055 1.00 0.00 H new ATOM 0 HB2 ASN B 64 -6.061 -7.919 -8.590 1.00 0.00 H new ATOM 0 HB3 ASN B 64 -5.782 -9.263 -7.501 1.00 0.00 H new ATOM 0 HD21 ASN B 64 -2.653 -7.939 -9.633 1.00 0.00 H new ATOM 0 HD22 ASN B 64 -4.132 -7.019 -9.335 1.00 0.00 H new ATOM 2452 N GLY B 65 -8.395 -11.361 -9.257 1.00 0.00 N ATOM 2453 CA GLY B 65 -9.278 -12.337 -8.631 1.00 0.00 C ATOM 2454 C GLY B 65 -8.937 -13.723 -9.128 1.00 0.00 C ATOM 2455 O GLY B 65 -9.727 -14.659 -8.998 1.00 0.00 O ATOM 0 H GLY B 65 -8.643 -11.137 -10.221 1.00 0.00 H new ATOM 0 HA2 GLY B 65 -9.174 -12.293 -7.547 1.00 0.00 H new ATOM 0 HA3 GLY B 65 -10.317 -12.103 -8.862 1.00 0.00 H new ATOM 2459 N ASP B 66 -7.747 -13.852 -9.693 1.00 0.00 N ATOM 2460 CA ASP B 66 -7.290 -15.123 -10.233 1.00 0.00 C ATOM 2461 C ASP B 66 -7.265 -16.168 -9.149 1.00 0.00 C ATOM 2462 O ASP B 66 -7.729 -17.294 -9.343 1.00 0.00 O ATOM 2463 CB ASP B 66 -5.889 -14.972 -10.813 1.00 0.00 C ATOM 2464 CG ASP B 66 -5.534 -16.196 -11.626 1.00 0.00 C ATOM 2465 OD1 ASP B 66 -6.111 -16.368 -12.676 1.00 0.00 O ATOM 2466 OD2 ASP B 66 -4.678 -16.932 -11.200 1.00 0.00 O ATOM 0 H ASP B 66 -7.077 -13.089 -9.790 1.00 0.00 H new ATOM 0 HA ASP B 66 -7.978 -15.432 -11.020 1.00 0.00 H new ATOM 0 HB2 ASP B 66 -5.839 -14.082 -11.440 1.00 0.00 H new ATOM 0 HB3 ASP B 66 -5.166 -14.836 -10.009 1.00 0.00 H new ATOM 2471 N GLY B 67 -6.756 -15.785 -8.003 1.00 0.00 N ATOM 2472 CA GLY B 67 -6.679 -16.673 -6.863 1.00 0.00 C ATOM 2473 C GLY B 67 -6.621 -15.885 -5.572 1.00 0.00 C ATOM 2474 O GLY B 67 -7.656 -15.598 -4.969 1.00 0.00 O ATOM 0 H GLY B 67 -6.383 -14.851 -7.832 1.00 0.00 H new ATOM 0 HA2 GLY B 67 -7.545 -17.334 -6.852 1.00 0.00 H new ATOM 0 HA3 GLY B 67 -5.796 -17.306 -6.948 1.00 0.00 H new ATOM 2478 N GLU B 68 -5.418 -15.531 -5.154 1.00 0.00 N ATOM 2479 CA GLU B 68 -5.224 -14.820 -3.903 1.00 0.00 C ATOM 2480 C GLU B 68 -4.780 -13.391 -4.126 1.00 0.00 C ATOM 2481 O GLU B 68 -4.211 -13.053 -5.171 1.00 0.00 O ATOM 2482 CB GLU B 68 -4.168 -15.531 -3.055 1.00 0.00 C ATOM 2483 CG GLU B 68 -4.586 -16.981 -2.810 1.00 0.00 C ATOM 2484 CD GLU B 68 -3.864 -17.885 -3.779 1.00 0.00 C ATOM 2485 OE1 GLU B 68 -2.653 -17.962 -3.690 1.00 0.00 O ATOM 2486 OE2 GLU B 68 -4.522 -18.484 -4.613 1.00 0.00 O ATOM 0 H GLU B 68 -4.557 -15.726 -5.666 1.00 0.00 H new ATOM 0 HA GLU B 68 -6.185 -14.809 -3.389 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -3.203 -15.502 -3.561 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -4.044 -15.013 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -4.353 -17.269 -1.785 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -5.664 -17.085 -2.933 1.00 0.00 H new ATOM 2493 N VAL B 69 -4.870 -12.620 -3.066 1.00 0.00 N ATOM 2494 CA VAL B 69 -4.309 -11.298 -3.013 1.00 0.00 C ATOM 2495 C VAL B 69 -3.326 -11.260 -1.851 1.00 0.00 C ATOM 2496 O VAL B 69 -3.640 -11.700 -0.744 1.00 0.00 O ATOM 2497 CB VAL B 69 -5.444 -10.225 -2.879 1.00 0.00 C ATOM 2498 CG1 VAL B 69 -6.577 -10.736 -1.984 1.00 0.00 C ATOM 2499 CG2 VAL B 69 -4.907 -8.910 -2.287 1.00 0.00 C ATOM 0 H VAL B 69 -5.342 -12.902 -2.207 1.00 0.00 H new ATOM 0 HA VAL B 69 -3.777 -11.059 -3.934 1.00 0.00 H new ATOM 0 HB VAL B 69 -5.823 -10.039 -3.884 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -7.352 -9.973 -1.907 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -7.001 -11.642 -2.416 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -6.185 -10.957 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -5.720 -8.188 -2.208 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -4.492 -9.099 -1.297 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -4.128 -8.510 -2.936 1.00 0.00 H new ATOM 2509 N ASP B 70 -2.108 -10.866 -2.136 1.00 0.00 N ATOM 2510 CA ASP B 70 -1.057 -10.856 -1.136 1.00 0.00 C ATOM 2511 C ASP B 70 -1.003 -9.491 -0.483 1.00 0.00 C ATOM 2512 O ASP B 70 -1.793 -8.597 -0.828 1.00 0.00 O ATOM 2513 CB ASP B 70 0.287 -11.252 -1.796 1.00 0.00 C ATOM 2514 CG ASP B 70 1.508 -10.792 -1.005 1.00 0.00 C ATOM 2515 OD1 ASP B 70 1.943 -9.674 -1.196 1.00 0.00 O ATOM 2516 OD2 ASP B 70 2.001 -11.573 -0.222 1.00 0.00 O ATOM 0 H ASP B 70 -1.815 -10.545 -3.059 1.00 0.00 H new ATOM 0 HA ASP B 70 -1.262 -11.587 -0.354 1.00 0.00 H new ATOM 0 HB2 ASP B 70 0.323 -12.336 -1.908 1.00 0.00 H new ATOM 0 HB3 ASP B 70 0.331 -10.826 -2.798 1.00 0.00 H new ATOM 2521 N PHE B 71 -0.100 -9.321 0.446 1.00 0.00 N ATOM 2522 CA PHE B 71 0.014 -8.068 1.151 1.00 0.00 C ATOM 2523 C PHE B 71 0.258 -6.956 0.143 1.00 0.00 C ATOM 2524 O PHE B 71 -0.336 -5.874 0.222 1.00 0.00 O ATOM 2525 CB PHE B 71 1.164 -8.135 2.152 1.00 0.00 C ATOM 2526 CG PHE B 71 1.172 -6.891 3.016 1.00 0.00 C ATOM 2527 CD1 PHE B 71 0.119 -6.666 3.906 1.00 0.00 C ATOM 2528 CD2 PHE B 71 2.235 -5.974 2.945 1.00 0.00 C ATOM 2529 CE1 PHE B 71 0.122 -5.536 4.720 1.00 0.00 C ATOM 2530 CE2 PHE B 71 2.231 -4.842 3.764 1.00 0.00 C ATOM 2531 CZ PHE B 71 1.180 -4.625 4.651 1.00 0.00 C ATOM 0 H PHE B 71 0.569 -10.035 0.734 1.00 0.00 H new ATOM 0 HA PHE B 71 -0.907 -7.868 1.698 1.00 0.00 H new ATOM 0 HB2 PHE B 71 1.061 -9.022 2.778 1.00 0.00 H new ATOM 0 HB3 PHE B 71 2.113 -8.226 1.623 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -0.699 -7.369 3.963 1.00 0.00 H new ATOM 0 HD2 PHE B 71 3.052 -6.144 2.260 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -0.694 -5.363 5.406 1.00 0.00 H new ATOM 0 HE2 PHE B 71 3.045 -4.134 3.709 1.00 0.00 H new ATOM 0 HZ PHE B 71 1.182 -3.752 5.287 1.00 0.00 H new ATOM 2541 N GLN B 72 1.108 -7.246 -0.821 1.00 0.00 N ATOM 2542 CA GLN B 72 1.434 -6.310 -1.880 1.00 0.00 C ATOM 2543 C GLN B 72 0.176 -5.897 -2.642 1.00 0.00 C ATOM 2544 O GLN B 72 -0.073 -4.707 -2.830 1.00 0.00 O ATOM 2545 CB GLN B 72 2.414 -6.983 -2.821 1.00 0.00 C ATOM 2546 CG GLN B 72 3.752 -7.135 -2.129 1.00 0.00 C ATOM 2547 CD GLN B 72 4.641 -8.024 -2.962 1.00 0.00 C ATOM 2548 OE1 GLN B 72 5.362 -7.541 -3.832 1.00 0.00 O ATOM 2549 NE2 GLN B 72 4.613 -9.302 -2.776 1.00 0.00 N ATOM 0 H GLN B 72 1.594 -8.140 -0.893 1.00 0.00 H new ATOM 0 HA GLN B 72 1.876 -5.410 -1.452 1.00 0.00 H new ATOM 0 HB2 GLN B 72 2.034 -7.960 -3.121 1.00 0.00 H new ATOM 0 HB3 GLN B 72 2.527 -6.392 -3.730 1.00 0.00 H new ATOM 0 HG2 GLN B 72 4.218 -6.159 -1.993 1.00 0.00 H new ATOM 0 HG3 GLN B 72 3.615 -7.564 -1.136 1.00 0.00 H new ATOM 0 HE21 GLN B 72 4.013 -9.699 -2.053 1.00 0.00 H new ATOM 0 HE22 GLN B 72 5.191 -9.914 -3.352 1.00 0.00 H new ATOM 2558 N GLU B 73 -0.664 -6.863 -2.991 1.00 0.00 N ATOM 2559 CA GLU B 73 -1.939 -6.534 -3.618 1.00 0.00 C ATOM 2560 C GLU B 73 -2.840 -5.820 -2.616 1.00 0.00 C ATOM 2561 O GLU B 73 -3.596 -4.904 -2.968 1.00 0.00 O ATOM 2562 CB GLU B 73 -2.639 -7.784 -4.148 1.00 0.00 C ATOM 2563 CG GLU B 73 -1.846 -8.385 -5.309 1.00 0.00 C ATOM 2564 CD GLU B 73 -0.850 -9.384 -4.779 1.00 0.00 C ATOM 2565 OE1 GLU B 73 -1.244 -10.513 -4.557 1.00 0.00 O ATOM 2566 OE2 GLU B 73 0.288 -9.012 -4.597 1.00 0.00 O ATOM 0 H GLU B 73 -0.493 -7.859 -2.855 1.00 0.00 H new ATOM 0 HA GLU B 73 -1.739 -5.876 -4.464 1.00 0.00 H new ATOM 0 HB2 GLU B 73 -2.740 -8.519 -3.349 1.00 0.00 H new ATOM 0 HB3 GLU B 73 -3.647 -7.532 -4.479 1.00 0.00 H new ATOM 0 HG2 GLU B 73 -2.523 -8.870 -6.012 1.00 0.00 H new ATOM 0 HG3 GLU B 73 -1.329 -7.597 -5.856 1.00 0.00 H new ATOM 2573 N TYR B 74 -2.777 -6.266 -1.373 1.00 0.00 N ATOM 2574 CA TYR B 74 -3.590 -5.693 -0.310 1.00 0.00 C ATOM 2575 C TYR B 74 -3.277 -4.218 -0.109 1.00 0.00 C ATOM 2576 O TYR B 74 -4.190 -3.389 -0.051 1.00 0.00 O ATOM 2577 CB TYR B 74 -3.387 -6.481 0.994 1.00 0.00 C ATOM 2578 CG TYR B 74 -4.132 -5.834 2.147 1.00 0.00 C ATOM 2579 CD1 TYR B 74 -5.517 -5.651 2.079 1.00 0.00 C ATOM 2580 CD2 TYR B 74 -3.430 -5.434 3.294 1.00 0.00 C ATOM 2581 CE1 TYR B 74 -6.195 -5.066 3.151 1.00 0.00 C ATOM 2582 CE2 TYR B 74 -4.113 -4.849 4.365 1.00 0.00 C ATOM 2583 CZ TYR B 74 -5.494 -4.667 4.292 1.00 0.00 C ATOM 2584 OH TYR B 74 -6.165 -4.092 5.343 1.00 0.00 O ATOM 0 H TYR B 74 -2.168 -7.027 -1.073 1.00 0.00 H new ATOM 0 HA TYR B 74 -4.637 -5.767 -0.603 1.00 0.00 H new ATOM 0 HB2 TYR B 74 -3.736 -7.505 0.861 1.00 0.00 H new ATOM 0 HB3 TYR B 74 -2.324 -6.534 1.228 1.00 0.00 H new ATOM 0 HD1 TYR B 74 -6.061 -5.961 1.199 1.00 0.00 H new ATOM 0 HD2 TYR B 74 -2.361 -5.578 3.350 1.00 0.00 H new ATOM 0 HE1 TYR B 74 -7.264 -4.922 3.098 1.00 0.00 H new ATOM 0 HE2 TYR B 74 -3.572 -4.539 5.247 1.00 0.00 H new ATOM 0 HH TYR B 74 -6.838 -3.468 4.999 1.00 0.00 H new ATOM 2594 N VAL B 75 -1.993 -3.878 -0.021 1.00 0.00 N ATOM 2595 CA VAL B 75 -1.626 -2.488 0.179 1.00 0.00 C ATOM 2596 C VAL B 75 -2.041 -1.610 -0.999 1.00 0.00 C ATOM 2597 O VAL B 75 -2.540 -0.498 -0.799 1.00 0.00 O ATOM 2598 CB VAL B 75 -0.134 -2.314 0.517 1.00 0.00 C ATOM 2599 CG1 VAL B 75 0.175 -3.001 1.855 1.00 0.00 C ATOM 2600 CG2 VAL B 75 0.743 -2.918 -0.584 1.00 0.00 C ATOM 0 H VAL B 75 -1.211 -4.530 -0.084 1.00 0.00 H new ATOM 0 HA VAL B 75 -2.187 -2.148 1.050 1.00 0.00 H new ATOM 0 HB VAL B 75 0.084 -1.249 0.592 1.00 0.00 H new ATOM 0 HG11 VAL B 75 1.232 -2.877 2.092 1.00 0.00 H new ATOM 0 HG12 VAL B 75 -0.429 -2.551 2.643 1.00 0.00 H new ATOM 0 HG13 VAL B 75 -0.058 -4.063 1.781 1.00 0.00 H new ATOM 0 HG21 VAL B 75 1.794 -2.785 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL B 75 0.525 -3.982 -0.680 1.00 0.00 H new ATOM 0 HG23 VAL B 75 0.535 -2.418 -1.530 1.00 0.00 H new ATOM 2610 N VAL B 76 -1.860 -2.105 -2.226 1.00 0.00 N ATOM 2611 CA VAL B 76 -2.236 -1.322 -3.387 1.00 0.00 C ATOM 2612 C VAL B 76 -3.742 -1.110 -3.433 1.00 0.00 C ATOM 2613 O VAL B 76 -4.200 -0.016 -3.727 1.00 0.00 O ATOM 2614 CB VAL B 76 -1.679 -1.917 -4.703 1.00 0.00 C ATOM 2615 CG1 VAL B 76 -2.250 -3.305 -4.960 1.00 0.00 C ATOM 2616 CG2 VAL B 76 -2.014 -0.995 -5.885 1.00 0.00 C ATOM 0 H VAL B 76 -1.465 -3.023 -2.431 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.773 -0.340 -3.287 1.00 0.00 H new ATOM 0 HB VAL B 76 -0.597 -2.000 -4.603 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.842 -3.700 -5.891 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.982 -3.967 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -3.336 -3.243 -5.037 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -1.617 -1.424 -6.805 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -3.096 -0.891 -5.970 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -1.567 -0.015 -5.720 1.00 0.00 H new ATOM 2626 N LEU B 77 -4.511 -2.132 -3.048 1.00 0.00 N ATOM 2627 CA LEU B 77 -5.964 -1.989 -3.009 1.00 0.00 C ATOM 2628 C LEU B 77 -6.378 -0.894 -2.047 1.00 0.00 C ATOM 2629 O LEU B 77 -7.119 0.021 -2.420 1.00 0.00 O ATOM 2630 CB LEU B 77 -6.616 -3.319 -2.589 1.00 0.00 C ATOM 2631 CG LEU B 77 -8.133 -3.133 -2.356 1.00 0.00 C ATOM 2632 CD1 LEU B 77 -8.821 -2.586 -3.604 1.00 0.00 C ATOM 2633 CD2 LEU B 77 -8.766 -4.470 -1.966 1.00 0.00 C ATOM 0 H LEU B 77 -4.160 -3.047 -2.765 1.00 0.00 H new ATOM 0 HA LEU B 77 -6.302 -1.718 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -6.451 -4.071 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -6.146 -3.689 -1.678 1.00 0.00 H new ATOM 0 HG LEU B 77 -8.265 -2.413 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -9.887 -2.466 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -8.389 -1.620 -3.864 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -8.680 -3.281 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -9.835 -4.333 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -8.611 -5.193 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -8.304 -4.838 -1.050 1.00 0.00 H new ATOM 2645 N VAL B 78 -5.847 -0.929 -0.843 1.00 0.00 N ATOM 2646 CA VAL B 78 -6.160 0.117 0.103 1.00 0.00 C ATOM 2647 C VAL B 78 -5.531 1.437 -0.332 1.00 0.00 C ATOM 2648 O VAL B 78 -6.191 2.483 -0.335 1.00 0.00 O ATOM 2649 CB VAL B 78 -5.763 -0.277 1.544 1.00 0.00 C ATOM 2650 CG1 VAL B 78 -6.484 -1.575 1.940 1.00 0.00 C ATOM 2651 CG2 VAL B 78 -4.257 -0.507 1.643 1.00 0.00 C ATOM 0 H VAL B 78 -5.212 -1.652 -0.503 1.00 0.00 H new ATOM 0 HA VAL B 78 -7.241 0.256 0.112 1.00 0.00 H new ATOM 0 HB VAL B 78 -6.049 0.535 2.213 1.00 0.00 H new ATOM 0 HG11 VAL B 78 -6.203 -1.852 2.956 1.00 0.00 H new ATOM 0 HG12 VAL B 78 -7.562 -1.422 1.890 1.00 0.00 H new ATOM 0 HG13 VAL B 78 -6.199 -2.373 1.255 1.00 0.00 H new ATOM 0 HG21 VAL B 78 -3.998 -0.783 2.665 1.00 0.00 H new ATOM 0 HG22 VAL B 78 -3.966 -1.309 0.965 1.00 0.00 H new ATOM 0 HG23 VAL B 78 -3.731 0.407 1.370 1.00 0.00 H new ATOM 2661 N ALA B 79 -4.280 1.379 -0.776 1.00 0.00 N ATOM 2662 CA ALA B 79 -3.593 2.578 -1.236 1.00 0.00 C ATOM 2663 C ALA B 79 -4.268 3.166 -2.452 1.00 0.00 C ATOM 2664 O ALA B 79 -4.404 4.384 -2.560 1.00 0.00 O ATOM 2665 CB ALA B 79 -2.140 2.281 -1.557 1.00 0.00 C ATOM 0 H ALA B 79 -3.727 0.524 -0.827 1.00 0.00 H new ATOM 0 HA ALA B 79 -3.638 3.306 -0.426 1.00 0.00 H new ATOM 0 HB1 ALA B 79 -1.649 3.192 -1.898 1.00 0.00 H new ATOM 0 HB2 ALA B 79 -1.638 1.912 -0.663 1.00 0.00 H new ATOM 0 HB3 ALA B 79 -2.088 1.525 -2.341 1.00 0.00 H new ATOM 2671 N ALA B 80 -4.667 2.309 -3.375 1.00 0.00 N ATOM 2672 CA ALA B 80 -5.310 2.772 -4.583 1.00 0.00 C ATOM 2673 C ALA B 80 -6.595 3.497 -4.226 1.00 0.00 C ATOM 2674 O ALA B 80 -6.824 4.626 -4.658 1.00 0.00 O ATOM 2675 CB ALA B 80 -5.589 1.607 -5.530 1.00 0.00 C ATOM 0 H ALA B 80 -4.557 1.297 -3.309 1.00 0.00 H new ATOM 0 HA ALA B 80 -4.643 3.464 -5.098 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -6.073 1.980 -6.433 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -4.650 1.122 -5.796 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -6.243 0.887 -5.038 1.00 0.00 H new ATOM 2681 N LEU B 81 -7.366 2.912 -3.323 1.00 0.00 N ATOM 2682 CA LEU B 81 -8.551 3.590 -2.819 1.00 0.00 C ATOM 2683 C LEU B 81 -8.140 4.851 -2.091 1.00 0.00 C ATOM 2684 O LEU B 81 -8.755 5.908 -2.257 1.00 0.00 O ATOM 2685 CB LEU B 81 -9.359 2.684 -1.882 1.00 0.00 C ATOM 2686 CG LEU B 81 -9.994 1.542 -2.684 1.00 0.00 C ATOM 2687 CD1 LEU B 81 -10.624 0.533 -1.737 1.00 0.00 C ATOM 2688 CD2 LEU B 81 -11.067 2.090 -3.626 1.00 0.00 C ATOM 0 H LEU B 81 -7.198 1.986 -2.929 1.00 0.00 H new ATOM 0 HA LEU B 81 -9.187 3.844 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -8.711 2.278 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -10.134 3.263 -1.380 1.00 0.00 H new ATOM 0 HG LEU B 81 -9.216 1.055 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -11.073 -0.276 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -9.858 0.126 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -11.393 1.024 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -11.510 1.269 -4.190 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -11.841 2.590 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -10.616 2.802 -4.317 1.00 0.00 H new ATOM 2700 N THR B 82 -7.074 4.748 -1.303 1.00 0.00 N ATOM 2701 CA THR B 82 -6.588 5.896 -0.571 1.00 0.00 C ATOM 2702 C THR B 82 -6.163 6.988 -1.546 1.00 0.00 C ATOM 2703 O THR B 82 -6.651 8.113 -1.473 1.00 0.00 O ATOM 2704 CB THR B 82 -5.393 5.502 0.326 1.00 0.00 C ATOM 2705 OG1 THR B 82 -5.704 4.326 1.064 1.00 0.00 O ATOM 2706 CG2 THR B 82 -5.077 6.637 1.310 1.00 0.00 C ATOM 0 H THR B 82 -6.541 3.890 -1.161 1.00 0.00 H new ATOM 0 HA THR B 82 -7.392 6.269 0.064 1.00 0.00 H new ATOM 0 HB THR B 82 -4.528 5.317 -0.311 1.00 0.00 H new ATOM 0 HG1 THR B 82 -5.727 3.556 0.458 1.00 0.00 H new ATOM 0 HG21 THR B 82 -4.233 6.350 1.938 1.00 0.00 H new ATOM 0 HG22 THR B 82 -4.825 7.540 0.755 1.00 0.00 H new ATOM 0 HG23 THR B 82 -5.948 6.828 1.937 1.00 0.00 H new ATOM 2714 N VAL B 83 -5.332 6.633 -2.521 1.00 0.00 N ATOM 2715 CA VAL B 83 -4.894 7.599 -3.513 1.00 0.00 C ATOM 2716 C VAL B 83 -6.076 8.093 -4.330 1.00 0.00 C ATOM 2717 O VAL B 83 -6.208 9.291 -4.576 1.00 0.00 O ATOM 2718 CB VAL B 83 -3.766 7.019 -4.417 1.00 0.00 C ATOM 2719 CG1 VAL B 83 -4.339 6.300 -5.634 1.00 0.00 C ATOM 2720 CG2 VAL B 83 -2.827 8.135 -4.892 1.00 0.00 C ATOM 0 H VAL B 83 -4.954 5.693 -2.642 1.00 0.00 H new ATOM 0 HA VAL B 83 -4.467 8.455 -2.990 1.00 0.00 H new ATOM 0 HB VAL B 83 -3.209 6.301 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL B 83 -3.524 5.908 -6.242 1.00 0.00 H new ATOM 0 HG12 VAL B 83 -4.974 5.478 -5.305 1.00 0.00 H new ATOM 0 HG13 VAL B 83 -4.929 7.000 -6.226 1.00 0.00 H new ATOM 0 HG21 VAL B 83 -2.046 7.710 -5.522 1.00 0.00 H new ATOM 0 HG22 VAL B 83 -3.395 8.869 -5.464 1.00 0.00 H new ATOM 0 HG23 VAL B 83 -2.372 8.620 -4.028 1.00 0.00 H new ATOM 2730 N ALA B 84 -6.954 7.172 -4.720 1.00 0.00 N ATOM 2731 CA ALA B 84 -8.119 7.540 -5.501 1.00 0.00 C ATOM 2732 C ALA B 84 -8.948 8.570 -4.751 1.00 0.00 C ATOM 2733 O ALA B 84 -9.278 9.629 -5.295 1.00 0.00 O ATOM 2734 CB ALA B 84 -8.972 6.305 -5.816 1.00 0.00 C ATOM 0 H ALA B 84 -6.878 6.177 -4.508 1.00 0.00 H new ATOM 0 HA ALA B 84 -7.780 7.974 -6.442 1.00 0.00 H new ATOM 0 HB1 ALA B 84 -9.841 6.603 -6.403 1.00 0.00 H new ATOM 0 HB2 ALA B 84 -8.379 5.589 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA B 84 -9.303 5.844 -4.885 1.00 0.00 H new ATOM 2740 N MET B 85 -9.265 8.281 -3.495 1.00 0.00 N ATOM 2741 CA MET B 85 -10.019 9.230 -2.692 1.00 0.00 C ATOM 2742 C MET B 85 -9.152 10.438 -2.338 1.00 0.00 C ATOM 2743 O MET B 85 -9.602 11.584 -2.407 1.00 0.00 O ATOM 2744 CB MET B 85 -10.561 8.572 -1.423 1.00 0.00 C ATOM 2745 CG MET B 85 -11.586 9.501 -0.759 1.00 0.00 C ATOM 2746 SD MET B 85 -12.213 8.723 0.748 1.00 0.00 S ATOM 2747 CE MET B 85 -11.064 9.484 1.921 1.00 0.00 C ATOM 0 H MET B 85 -9.017 7.414 -3.019 1.00 0.00 H new ATOM 0 HA MET B 85 -10.869 9.570 -3.284 1.00 0.00 H new ATOM 0 HB2 MET B 85 -11.025 7.616 -1.667 1.00 0.00 H new ATOM 0 HB3 MET B 85 -9.744 8.363 -0.732 1.00 0.00 H new ATOM 0 HG2 MET B 85 -11.125 10.460 -0.522 1.00 0.00 H new ATOM 0 HG3 MET B 85 -12.408 9.704 -1.446 1.00 0.00 H new ATOM 0 HE1 MET B 85 -10.759 8.746 2.663 1.00 0.00 H new ATOM 0 HE2 MET B 85 -10.186 9.846 1.387 1.00 0.00 H new ATOM 0 HE3 MET B 85 -11.554 10.319 2.421 1.00 0.00 H new ATOM 2757 N ASN B 86 -7.891 10.175 -1.974 1.00 0.00 N ATOM 2758 CA ASN B 86 -6.959 11.247 -1.602 1.00 0.00 C ATOM 2759 C ASN B 86 -6.746 12.174 -2.770 1.00 0.00 C ATOM 2760 O ASN B 86 -6.472 13.352 -2.588 1.00 0.00 O ATOM 2761 CB ASN B 86 -5.603 10.694 -1.137 1.00 0.00 C ATOM 2762 CG ASN B 86 -4.914 11.695 -0.212 1.00 0.00 C ATOM 2763 OD1 ASN B 86 -5.114 11.652 0.997 1.00 0.00 O ATOM 2764 ND2 ASN B 86 -4.126 12.604 -0.703 1.00 0.00 N ATOM 0 H ASN B 86 -7.494 9.236 -1.929 1.00 0.00 H new ATOM 0 HA ASN B 86 -7.405 11.791 -0.770 1.00 0.00 H new ATOM 0 HB2 ASN B 86 -5.747 9.747 -0.617 1.00 0.00 H new ATOM 0 HB3 ASN B 86 -4.970 10.490 -2.000 1.00 0.00 H new ATOM 0 HD21 ASN B 86 -3.677 13.278 -0.083 1.00 0.00 H new ATOM 0 HD22 ASN B 86 -3.957 12.643 -1.708 1.00 0.00 H new ATOM 2771 N ASN B 87 -6.832 11.631 -3.976 1.00 0.00 N ATOM 2772 CA ASN B 87 -6.623 12.429 -5.172 1.00 0.00 C ATOM 2773 C ASN B 87 -7.427 13.704 -5.067 1.00 0.00 C ATOM 2774 O ASN B 87 -6.935 14.778 -5.380 1.00 0.00 O ATOM 2775 CB ASN B 87 -7.070 11.662 -6.423 1.00 0.00 C ATOM 2776 CG ASN B 87 -6.582 12.372 -7.694 1.00 0.00 C ATOM 2777 OD1 ASN B 87 -6.540 13.675 -7.753 1.00 0.00 O flip ATOM 2778 ND2 ASN B 87 -6.227 11.710 -8.666 1.00 0.00 N flip ATOM 0 H ASN B 87 -7.043 10.648 -4.150 1.00 0.00 H new ATOM 0 HA ASN B 87 -5.560 12.655 -5.257 1.00 0.00 H new ATOM 0 HB2 ASN B 87 -6.676 10.646 -6.393 1.00 0.00 H new ATOM 0 HB3 ASN B 87 -8.157 11.583 -6.439 1.00 0.00 H new ATOM 0 HD21 ASN B 87 -6.257 10.691 -8.628 1.00 0.00 H new ATOM 0 HD22 ASN B 87 -5.902 12.179 -9.511 1.00 0.00 H new ATOM 2785 N PHE B 88 -8.661 13.572 -4.606 1.00 0.00 N ATOM 2786 CA PHE B 88 -9.543 14.717 -4.418 1.00 0.00 C ATOM 2787 C PHE B 88 -9.063 15.601 -3.276 1.00 0.00 C ATOM 2788 O PHE B 88 -9.246 16.813 -3.304 1.00 0.00 O ATOM 2789 CB PHE B 88 -10.965 14.246 -4.116 1.00 0.00 C ATOM 2790 CG PHE B 88 -11.555 13.579 -5.332 1.00 0.00 C ATOM 2791 CD1 PHE B 88 -12.033 14.351 -6.402 1.00 0.00 C ATOM 2792 CD2 PHE B 88 -11.628 12.182 -5.390 1.00 0.00 C ATOM 2793 CE1 PHE B 88 -12.581 13.722 -7.524 1.00 0.00 C ATOM 2794 CE2 PHE B 88 -12.176 11.560 -6.512 1.00 0.00 C ATOM 2795 CZ PHE B 88 -12.653 12.327 -7.578 1.00 0.00 C ATOM 0 H PHE B 88 -9.078 12.676 -4.353 1.00 0.00 H new ATOM 0 HA PHE B 88 -9.532 15.296 -5.342 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -10.956 13.550 -3.277 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -11.583 15.094 -3.820 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -11.978 15.429 -6.359 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -11.261 11.587 -4.567 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -12.949 14.314 -8.349 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -12.232 10.482 -6.557 1.00 0.00 H new ATOM 0 HZ PHE B 88 -13.078 11.842 -8.444 1.00 0.00 H new ATOM 2805 N PHE B 89 -8.567 14.976 -2.214 1.00 0.00 N ATOM 2806 CA PHE B 89 -8.209 15.703 -0.994 1.00 0.00 C ATOM 2807 C PHE B 89 -7.418 16.961 -1.272 1.00 0.00 C ATOM 2808 O PHE B 89 -7.919 18.063 -1.104 1.00 0.00 O ATOM 2809 CB PHE B 89 -7.408 14.829 -0.024 1.00 0.00 C ATOM 2810 CG PHE B 89 -8.292 13.959 0.864 1.00 0.00 C ATOM 2811 CD1 PHE B 89 -9.705 14.023 0.808 1.00 0.00 C ATOM 2812 CD2 PHE B 89 -7.682 13.097 1.779 1.00 0.00 C ATOM 2813 CE1 PHE B 89 -10.470 13.226 1.665 1.00 0.00 C ATOM 2814 CE2 PHE B 89 -8.454 12.304 2.625 1.00 0.00 C ATOM 2815 CZ PHE B 89 -9.844 12.369 2.569 1.00 0.00 C ATOM 0 H PHE B 89 -8.403 13.970 -2.170 1.00 0.00 H new ATOM 0 HA PHE B 89 -9.160 15.981 -0.539 1.00 0.00 H new ATOM 0 HB2 PHE B 89 -6.733 14.190 -0.593 1.00 0.00 H new ATOM 0 HB3 PHE B 89 -6.788 15.468 0.605 1.00 0.00 H new ATOM 0 HD1 PHE B 89 -10.190 14.685 0.106 1.00 0.00 H new ATOM 0 HD2 PHE B 89 -6.604 13.045 1.831 1.00 0.00 H new ATOM 0 HE1 PHE B 89 -11.548 13.274 1.627 1.00 0.00 H new ATOM 0 HE2 PHE B 89 -7.974 11.637 3.326 1.00 0.00 H new ATOM 0 HZ PHE B 89 -10.439 11.754 3.228 1.00 0.00 H new