USER MOD reduce.3.24.130724 H: found=0, std=0, add=1428, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1426 hydrogens (16 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 NoAdj : A 64 ASNHD21 : A 64 ASN OD1 : A 203 CACA :(metal ligand) USER MOD NoAdj : A 64 ASNHD22 : A 64 ASN OD1 : A 203 CACA :(metal ligand) USER MOD NoAdj : B 64 ASNHD21 : B 64 ASN OD1 : B 203 CACA :(metal ligand) USER MOD NoAdj : B 64 ASNHD22 : B 64 ASN OD1 : B 203 CACA :(metal ligand) USER MOD NoAdj-H: A 201 HCS HXT : A 201 HCS OXT : A 201 HCS C :(short bond) USER MOD NoAdj-H: B 201 HCS HXT : B 201 HCS OXT : B 201 HCS C :(short bond) USER MOD Set 1.1: B 34 LYS NZ :NH3+ 141:sc= 0.552! (180deg=0) USER MOD Set 1.2: B 38 GLN :FLIP amide:sc= -0.371! C(o=-16!,f=0.18!) USER MOD Set 2.1: B 29 SER OG : rot -108:sc= -1.02 USER MOD Set 2.2: B 31 LYS NZ :NH3+ 170:sc= 1.2 (180deg=0) USER MOD Set 3.1: B 18 HIS : no HE2:sc= -5.12! C(o=-7.1!,f=-8.7!) USER MOD Set 3.2: B 21 LYS NZ :NH3+ 141:sc= -2.75 (180deg=-4.07!) USER MOD Set 3.3: B 39 THR OG1 : rot -23:sc= 0.813 USER MOD Set 4.1: A 82 THR OG1 : rot 78:sc= 0.392 USER MOD Set 4.2: B 8 MET CE :methyl 179:sc= -0.972 (180deg=-0.854) USER MOD Set 5.1: A 18 HIS : no HE2:sc= -5! C(o=-7!,f=-8.7!) USER MOD Set 5.2: A 21 LYS NZ :NH3+ 140:sc= -2.77 (180deg=-4.08!) USER MOD Set 5.3: A 39 THR OG1 : rot -21:sc= 0.81 USER MOD Set 6.1: A 34 LYS NZ :NH3+ 144:sc= 0.705! (180deg=0) USER MOD Set 6.2: A 38 GLN :FLIP amide:sc= -0.454 F(o=-16!,f=0.25) USER MOD Set 7.1: A 29 SER OG : rot -101:sc= -1.34 USER MOD Set 7.2: A 31 LYS NZ :NH3+ 172:sc= 1.27 (180deg=0) USER MOD Set 8.1: A 8 MET CE :methyl -179:sc= -1.05 (180deg=-0.875) USER MOD Set 8.2: B 82 THR OG1 : rot 72:sc= 0.531 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -160:sc= -0.0821 USER MOD Single : A 6 THR OG1 : rot 71:sc= 1.08 USER MOD Single : A 10 THR OG1 : rot 68:sc= 0.968 USER MOD Single : A 13 ASN : amide:sc= -0.555 K(o=-0.56,f=-2.3!) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 19 SER OG : rot 9:sc= -2.64! USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= -0.141! (180deg=-0.631) USER MOD Single : A 26 TYR OH : rot -114:sc= -2.4! USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 0.0019 (180deg=-0.133) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.2) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= -0.0199 (180deg=-0.394) USER MOD Single : A 58 MET CE :methyl -114:sc= -1.3 (180deg=-6.19!) USER MOD Single : A 59 LYS NZ :NH3+ -157:sc= -0.116 (180deg=-0.845) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 74 TYR OH : rot 120:sc= -1.66 USER MOD Single : A 86 ASN :FLIP amide:sc= -2.71! C(o=-3.8!,f=-2.7!) USER MOD Single : A 87 ASN : amide:sc= -3.02 X(o=-3,f=-3.4!) USER MOD Single : A 92 ASN : amide:sc= -0.341 X(o=-0.34,f=0) USER MOD Single : A 93 SER OG : rot 10:sc= 0.822! USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot -159:sc= -0.223 USER MOD Single : B 6 THR OG1 : rot 70:sc= 1.08 USER MOD Single : B 10 THR OG1 : rot 68:sc= 0.994 USER MOD Single : B 13 ASN : amide:sc= -0.512 K(o=-0.51,f=-2.1!) USER MOD Single : B 16 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : B 19 SER OG : rot 4:sc= -2.67! USER MOD Single : B 25 LYS NZ :NH3+ -156:sc= -0.255! (180deg=-0.614) USER MOD Single : B 26 TYR OH : rot -118:sc= -2.28! USER MOD Single : B 27 LYS NZ :NH3+ -166:sc= 0.00143 (180deg=-0.117) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.2) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 LYS NZ :NH3+ -134:sc= -0.0341 (180deg=-0.432) USER MOD Single : B 58 MET CE :methyl -114:sc= -1.35 (180deg=-6.19!) USER MOD Single : B 59 LYS NZ :NH3+ -156:sc= -0.18 (180deg=-0.838) USER MOD Single : B 72 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 74 TYR OH : rot 114:sc= -1.65 USER MOD Single : B 86 ASN : amide:sc= -3.69! C(o=-3.7!,f=-3.3!) USER MOD Single : B 87 ASN : amide:sc= -3.15 X(o=-3.1,f=-3.4!) USER MOD Single : B 92 ASN : amide:sc= -0.315 X(o=-0.32,f=0) USER MOD Single : B 93 SER OG : rot 8:sc= 0.967 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.654 9.474 13.850 1.00 0.00 N ATOM 2 CA GLY A 1 -9.134 9.214 12.498 1.00 0.00 C ATOM 3 C GLY A 1 -9.618 7.775 12.358 1.00 0.00 C ATOM 4 O GLY A 1 -10.445 7.308 13.143 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.330 10.460 13.920 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.425 9.314 14.529 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.864 8.834 14.067 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.947 9.900 12.258 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.335 9.404 11.782 1.00 0.00 H new ATOM 8 N SER A 2 -9.097 7.076 11.353 1.00 0.00 N ATOM 9 CA SER A 2 -9.480 5.686 11.113 1.00 0.00 C ATOM 10 C SER A 2 -8.239 4.799 11.051 1.00 0.00 C ATOM 11 O SER A 2 -7.135 5.280 10.798 1.00 0.00 O ATOM 12 CB SER A 2 -10.254 5.578 9.804 1.00 0.00 C ATOM 13 OG SER A 2 -9.386 5.875 8.719 1.00 0.00 O ATOM 0 H SER A 2 -8.412 7.446 10.694 1.00 0.00 H new ATOM 0 HA SER A 2 -10.114 5.352 11.934 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.664 4.574 9.692 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.098 6.268 9.809 1.00 0.00 H new ATOM 0 HG SER A 2 -9.917 6.117 7.932 1.00 0.00 H new ATOM 19 N GLU A 3 -8.421 3.505 11.305 1.00 0.00 N ATOM 20 CA GLU A 3 -7.295 2.577 11.292 1.00 0.00 C ATOM 21 C GLU A 3 -6.616 2.505 9.929 1.00 0.00 C ATOM 22 O GLU A 3 -5.390 2.401 9.850 1.00 0.00 O ATOM 23 CB GLU A 3 -7.784 1.175 11.663 1.00 0.00 C ATOM 24 CG GLU A 3 -8.257 1.162 13.113 1.00 0.00 C ATOM 25 CD GLU A 3 -8.698 -0.244 13.507 1.00 0.00 C ATOM 26 OE1 GLU A 3 -8.778 -1.086 12.629 1.00 0.00 O ATOM 27 OE2 GLU A 3 -8.947 -0.457 14.682 1.00 0.00 O ATOM 0 H GLU A 3 -9.324 3.081 11.519 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.568 2.946 12.016 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -8.598 0.877 11.002 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.981 0.451 11.526 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.453 1.497 13.769 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.084 1.860 13.240 1.00 0.00 H new ATOM 34 N LEU A 4 -7.396 2.550 8.855 1.00 0.00 N ATOM 35 CA LEU A 4 -6.793 2.469 7.533 1.00 0.00 C ATOM 36 C LEU A 4 -5.896 3.688 7.329 1.00 0.00 C ATOM 37 O LEU A 4 -4.774 3.597 6.810 1.00 0.00 O ATOM 38 CB LEU A 4 -7.894 2.493 6.475 1.00 0.00 C ATOM 39 CG LEU A 4 -7.374 1.924 5.138 1.00 0.00 C ATOM 40 CD1 LEU A 4 -8.546 1.638 4.191 1.00 0.00 C ATOM 41 CD2 LEU A 4 -6.374 2.868 4.456 1.00 0.00 C ATOM 0 H LEU A 4 -8.412 2.639 8.870 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.214 1.550 7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.748 1.909 6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.244 3.515 6.330 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.850 0.996 5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.165 1.237 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.216 0.911 4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.091 2.562 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.036 2.425 3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.857 3.824 4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.518 3.027 5.112 1.00 0.00 H new ATOM 53 N GLU A 5 -6.411 4.839 7.767 1.00 0.00 N ATOM 54 CA GLU A 5 -5.678 6.085 7.651 1.00 0.00 C ATOM 55 C GLU A 5 -4.418 6.005 8.493 1.00 0.00 C ATOM 56 O GLU A 5 -3.350 6.449 8.079 1.00 0.00 O ATOM 57 CB GLU A 5 -6.559 7.247 8.133 1.00 0.00 C ATOM 58 CG GLU A 5 -6.152 8.549 7.437 1.00 0.00 C ATOM 59 CD GLU A 5 -4.787 9.012 7.937 1.00 0.00 C ATOM 60 OE1 GLU A 5 -4.348 8.509 8.958 1.00 0.00 O ATOM 61 OE2 GLU A 5 -4.202 9.868 7.294 1.00 0.00 O ATOM 0 H GLU A 5 -7.329 4.926 8.202 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.405 6.255 6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.606 7.028 7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.465 7.360 9.213 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.120 8.398 6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.898 9.320 7.629 1.00 0.00 H new ATOM 68 N THR A 6 -4.550 5.405 9.673 1.00 0.00 N ATOM 69 CA THR A 6 -3.408 5.243 10.555 1.00 0.00 C ATOM 70 C THR A 6 -2.346 4.416 9.854 1.00 0.00 C ATOM 71 O THR A 6 -1.151 4.702 9.942 1.00 0.00 O ATOM 72 CB THR A 6 -3.835 4.551 11.851 1.00 0.00 C ATOM 73 OG1 THR A 6 -4.906 5.275 12.441 1.00 0.00 O ATOM 74 CG2 THR A 6 -2.653 4.501 12.821 1.00 0.00 C ATOM 0 H THR A 6 -5.427 5.029 10.034 1.00 0.00 H new ATOM 0 HA THR A 6 -3.003 6.224 10.801 1.00 0.00 H new ATOM 0 HB THR A 6 -4.161 3.535 11.630 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.717 5.157 11.903 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.960 4.008 13.743 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.833 3.944 12.367 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.323 5.515 13.045 1.00 0.00 H new ATOM 82 N ALA A 7 -2.798 3.386 9.142 1.00 0.00 N ATOM 83 CA ALA A 7 -1.875 2.527 8.418 1.00 0.00 C ATOM 84 C ALA A 7 -1.155 3.326 7.340 1.00 0.00 C ATOM 85 O ALA A 7 0.066 3.227 7.190 1.00 0.00 O ATOM 86 CB ALA A 7 -2.644 1.375 7.769 1.00 0.00 C ATOM 0 H ALA A 7 -3.782 3.132 9.054 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.141 2.127 9.118 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.949 0.733 7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.148 0.794 8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.383 1.776 7.076 1.00 0.00 H new ATOM 92 N MET A 8 -1.911 4.149 6.614 1.00 0.00 N ATOM 93 CA MET A 8 -1.307 4.977 5.571 1.00 0.00 C ATOM 94 C MET A 8 -0.248 5.885 6.197 1.00 0.00 C ATOM 95 O MET A 8 0.866 6.060 5.662 1.00 0.00 O ATOM 96 CB MET A 8 -2.415 5.825 4.923 1.00 0.00 C ATOM 97 CG MET A 8 -3.381 4.914 4.148 1.00 0.00 C ATOM 98 SD MET A 8 -4.688 5.901 3.368 1.00 0.00 S ATOM 99 CE MET A 8 -3.702 6.652 2.059 1.00 0.00 C ATOM 0 H MET A 8 -2.919 4.260 6.724 1.00 0.00 H new ATOM 0 HA MET A 8 -0.832 4.353 4.814 1.00 0.00 H new ATOM 0 HB2 MET A 8 -2.958 6.378 5.690 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.976 6.561 4.250 1.00 0.00 H new ATOM 0 HG2 MET A 8 -2.834 4.356 3.388 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.823 4.182 4.824 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.329 7.320 1.468 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.883 7.220 2.501 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.297 5.871 1.415 1.00 0.00 H new ATOM 109 N GLU A 9 -0.577 6.415 7.370 1.00 0.00 N ATOM 110 CA GLU A 9 0.356 7.258 8.087 1.00 0.00 C ATOM 111 C GLU A 9 1.572 6.452 8.502 1.00 0.00 C ATOM 112 O GLU A 9 2.685 6.965 8.500 1.00 0.00 O ATOM 113 CB GLU A 9 -0.307 7.871 9.326 1.00 0.00 C ATOM 114 CG GLU A 9 -1.404 8.853 8.901 1.00 0.00 C ATOM 115 CD GLU A 9 -0.801 10.007 8.105 1.00 0.00 C ATOM 116 OE1 GLU A 9 0.402 10.193 8.187 1.00 0.00 O ATOM 117 OE2 GLU A 9 -1.552 10.686 7.426 1.00 0.00 O ATOM 0 H GLU A 9 -1.474 6.275 7.835 1.00 0.00 H new ATOM 0 HA GLU A 9 0.667 8.065 7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.733 7.084 9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.439 8.386 9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.150 8.336 8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.918 9.239 9.782 1.00 0.00 H new ATOM 124 N THR A 10 1.364 5.182 8.857 1.00 0.00 N ATOM 125 CA THR A 10 2.482 4.355 9.255 1.00 0.00 C ATOM 126 C THR A 10 3.434 4.165 8.088 1.00 0.00 C ATOM 127 O THR A 10 4.650 4.250 8.251 1.00 0.00 O ATOM 128 CB THR A 10 1.994 2.994 9.746 1.00 0.00 C ATOM 129 OG1 THR A 10 1.047 3.181 10.789 1.00 0.00 O ATOM 130 CG2 THR A 10 3.184 2.184 10.269 1.00 0.00 C ATOM 0 H THR A 10 0.454 4.722 8.874 1.00 0.00 H new ATOM 0 HA THR A 10 3.006 4.856 10.069 1.00 0.00 H new ATOM 0 HB THR A 10 1.524 2.455 8.923 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.235 3.590 10.424 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.837 1.212 10.620 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.908 2.043 9.467 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.655 2.720 11.093 1.00 0.00 H new ATOM 138 N LEU A 11 2.879 3.912 6.898 1.00 0.00 N ATOM 139 CA LEU A 11 3.738 3.722 5.739 1.00 0.00 C ATOM 140 C LEU A 11 4.524 4.999 5.489 1.00 0.00 C ATOM 141 O LEU A 11 5.739 4.973 5.230 1.00 0.00 O ATOM 142 CB LEU A 11 2.905 3.403 4.488 1.00 0.00 C ATOM 143 CG LEU A 11 1.971 2.204 4.724 1.00 0.00 C ATOM 144 CD1 LEU A 11 1.295 1.824 3.406 1.00 0.00 C ATOM 145 CD2 LEU A 11 2.739 0.998 5.264 1.00 0.00 C ATOM 0 H LEU A 11 1.877 3.837 6.720 1.00 0.00 H new ATOM 0 HA LEU A 11 4.411 2.888 5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.315 4.276 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.570 3.188 3.652 1.00 0.00 H new ATOM 0 HG LEU A 11 1.225 2.492 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.632 0.974 3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.716 2.670 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.055 1.556 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.050 0.168 5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.505 0.704 4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.210 1.261 6.211 1.00 0.00 H new ATOM 157 N ILE A 12 3.828 6.129 5.605 1.00 0.00 N ATOM 158 CA ILE A 12 4.493 7.411 5.416 1.00 0.00 C ATOM 159 C ILE A 12 5.592 7.626 6.450 1.00 0.00 C ATOM 160 O ILE A 12 6.697 8.057 6.117 1.00 0.00 O ATOM 161 CB ILE A 12 3.479 8.556 5.487 1.00 0.00 C ATOM 162 CG1 ILE A 12 2.473 8.426 4.334 1.00 0.00 C ATOM 163 CG2 ILE A 12 4.211 9.893 5.385 1.00 0.00 C ATOM 164 CD1 ILE A 12 1.334 9.430 4.522 1.00 0.00 C ATOM 0 H ILE A 12 2.833 6.182 5.823 1.00 0.00 H new ATOM 0 HA ILE A 12 4.953 7.401 4.428 1.00 0.00 H new ATOM 0 HB ILE A 12 2.945 8.509 6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.973 8.604 3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.074 7.412 4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.489 10.708 5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.919 9.984 6.209 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.748 9.942 4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.624 9.333 3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.826 9.232 5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.739 10.442 4.533 1.00 0.00 H new ATOM 176 N ASN A 13 5.274 7.341 7.708 1.00 0.00 N ATOM 177 CA ASN A 13 6.233 7.527 8.787 1.00 0.00 C ATOM 178 C ASN A 13 7.479 6.657 8.632 1.00 0.00 C ATOM 179 O ASN A 13 8.586 7.121 8.892 1.00 0.00 O ATOM 180 CB ASN A 13 5.558 7.214 10.123 1.00 0.00 C ATOM 181 CG ASN A 13 4.447 8.223 10.392 1.00 0.00 C ATOM 182 OD1 ASN A 13 4.412 9.290 9.779 1.00 0.00 O ATOM 183 ND2 ASN A 13 3.528 7.947 11.277 1.00 0.00 N ATOM 0 H ASN A 13 4.366 6.983 8.003 1.00 0.00 H new ATOM 0 HA ASN A 13 6.561 8.566 8.751 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.148 6.204 10.105 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.293 7.246 10.928 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.780 8.616 11.461 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.558 7.063 11.784 1.00 0.00 H new ATOM 190 N VAL A 14 7.314 5.397 8.220 1.00 0.00 N ATOM 191 CA VAL A 14 8.489 4.533 8.073 1.00 0.00 C ATOM 192 C VAL A 14 9.318 4.919 6.837 1.00 0.00 C ATOM 193 O VAL A 14 10.568 5.001 6.909 1.00 0.00 O ATOM 194 CB VAL A 14 8.109 3.029 8.067 1.00 0.00 C ATOM 195 CG1 VAL A 14 7.281 2.704 9.318 1.00 0.00 C ATOM 196 CG2 VAL A 14 7.303 2.640 6.819 1.00 0.00 C ATOM 0 H VAL A 14 6.419 4.966 7.991 1.00 0.00 H new ATOM 0 HA VAL A 14 9.117 4.693 8.949 1.00 0.00 H new ATOM 0 HB VAL A 14 9.037 2.457 8.060 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.014 1.647 9.313 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.867 2.926 10.210 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.373 3.307 9.320 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.060 1.578 6.859 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.382 3.222 6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.894 2.843 5.926 1.00 0.00 H new ATOM 206 N PHE A 15 8.644 5.229 5.718 1.00 0.00 N ATOM 207 CA PHE A 15 9.389 5.655 4.541 1.00 0.00 C ATOM 208 C PHE A 15 10.181 6.903 4.861 1.00 0.00 C ATOM 209 O PHE A 15 11.377 6.989 4.583 1.00 0.00 O ATOM 210 CB PHE A 15 8.453 5.930 3.368 1.00 0.00 C ATOM 211 CG PHE A 15 9.289 6.387 2.201 1.00 0.00 C ATOM 212 CD1 PHE A 15 10.055 5.472 1.476 1.00 0.00 C ATOM 213 CD2 PHE A 15 9.305 7.744 1.855 1.00 0.00 C ATOM 214 CE1 PHE A 15 10.840 5.915 0.406 1.00 0.00 C ATOM 215 CE2 PHE A 15 10.086 8.185 0.783 1.00 0.00 C ATOM 216 CZ PHE A 15 10.856 7.270 0.059 1.00 0.00 C ATOM 0 H PHE A 15 7.630 5.193 5.611 1.00 0.00 H new ATOM 0 HA PHE A 15 10.068 4.850 4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.895 5.031 3.107 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.722 6.693 3.635 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.042 4.425 1.741 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.713 8.451 2.417 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.435 5.209 -0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 15 10.095 9.231 0.514 1.00 0.00 H new ATOM 0 HZ PHE A 15 11.463 7.609 -0.768 1.00 0.00 H new ATOM 226 N HIS A 16 9.507 7.854 5.483 1.00 0.00 N ATOM 227 CA HIS A 16 10.152 9.085 5.883 1.00 0.00 C ATOM 228 C HIS A 16 11.225 8.794 6.894 1.00 0.00 C ATOM 229 O HIS A 16 12.262 9.455 6.917 1.00 0.00 O ATOM 230 CB HIS A 16 9.132 10.070 6.457 1.00 0.00 C ATOM 231 CG HIS A 16 9.816 11.373 6.775 1.00 0.00 C ATOM 232 ND1 HIS A 16 10.347 12.188 5.787 1.00 0.00 N ATOM 233 CD2 HIS A 16 10.062 12.014 7.963 1.00 0.00 C ATOM 234 CE1 HIS A 16 10.881 13.263 6.394 1.00 0.00 C ATOM 235 NE2 HIS A 16 10.735 13.207 7.720 1.00 0.00 N ATOM 0 H HIS A 16 8.517 7.795 5.720 1.00 0.00 H new ATOM 0 HA HIS A 16 10.606 9.542 5.004 1.00 0.00 H new ATOM 0 HB2 HIS A 16 8.327 10.235 5.741 1.00 0.00 H new ATOM 0 HB3 HIS A 16 8.678 9.656 7.357 1.00 0.00 H new ATOM 0 HD2 HIS A 16 9.777 11.648 8.938 1.00 0.00 H new ATOM 0 HE1 HIS A 16 11.369 14.073 5.872 1.00 0.00 H new ATOM 0 HE2 HIS A 16 11.049 13.892 8.407 1.00 0.00 H new ATOM 244 N ALA A 17 10.979 7.815 7.747 1.00 0.00 N ATOM 245 CA ALA A 17 11.958 7.505 8.751 1.00 0.00 C ATOM 246 C ALA A 17 13.271 7.178 8.092 1.00 0.00 C ATOM 247 O ALA A 17 14.292 7.746 8.431 1.00 0.00 O ATOM 248 CB ALA A 17 11.523 6.272 9.551 1.00 0.00 C ATOM 0 H ALA A 17 10.135 7.242 7.760 1.00 0.00 H new ATOM 0 HA ALA A 17 12.058 8.368 9.410 1.00 0.00 H new ATOM 0 HB1 ALA A 17 12.273 6.047 10.309 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.567 6.471 10.035 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.419 5.420 8.879 1.00 0.00 H new ATOM 254 N HIS A 18 13.253 6.271 7.134 1.00 0.00 N ATOM 255 CA HIS A 18 14.514 5.922 6.472 1.00 0.00 C ATOM 256 C HIS A 18 14.978 6.922 5.407 1.00 0.00 C ATOM 257 O HIS A 18 16.128 7.375 5.454 1.00 0.00 O ATOM 258 CB HIS A 18 14.436 4.509 5.927 1.00 0.00 C ATOM 259 CG HIS A 18 14.579 3.558 7.086 1.00 0.00 C ATOM 260 ND1 HIS A 18 13.594 3.409 8.049 1.00 0.00 N ATOM 261 CD2 HIS A 18 15.602 2.728 7.466 1.00 0.00 C ATOM 262 CE1 HIS A 18 14.043 2.523 8.955 1.00 0.00 C ATOM 263 NE2 HIS A 18 15.262 2.075 8.647 1.00 0.00 N ATOM 0 H HIS A 18 12.425 5.777 6.802 1.00 0.00 H new ATOM 0 HA HIS A 18 15.288 5.975 7.238 1.00 0.00 H new ATOM 0 HB2 HIS A 18 13.486 4.349 5.417 1.00 0.00 H new ATOM 0 HB3 HIS A 18 15.224 4.339 5.194 1.00 0.00 H new ATOM 0 HD1 HIS A 18 12.692 3.885 8.067 1.00 0.00 H new ATOM 0 HD2 HIS A 18 16.531 2.600 6.930 1.00 0.00 H new ATOM 0 HE1 HIS A 18 13.485 2.212 9.826 1.00 0.00 H new ATOM 272 N SER A 19 14.118 7.272 4.440 1.00 0.00 N ATOM 273 CA SER A 19 14.559 8.209 3.409 1.00 0.00 C ATOM 274 C SER A 19 15.000 9.510 4.070 1.00 0.00 C ATOM 275 O SER A 19 16.018 10.093 3.690 1.00 0.00 O ATOM 276 CB SER A 19 13.450 8.498 2.386 1.00 0.00 C ATOM 277 OG SER A 19 13.983 9.291 1.302 1.00 0.00 O ATOM 0 H SER A 19 13.158 6.937 4.353 1.00 0.00 H new ATOM 0 HA SER A 19 15.392 7.755 2.872 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.045 7.563 2.000 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.627 9.027 2.867 1.00 0.00 H new ATOM 0 HG SER A 19 14.959 9.340 1.382 1.00 0.00 H new ATOM 283 N GLY A 20 14.228 9.938 5.083 1.00 0.00 N ATOM 284 CA GLY A 20 14.529 11.156 5.838 1.00 0.00 C ATOM 285 C GLY A 20 15.737 10.991 6.749 1.00 0.00 C ATOM 286 O GLY A 20 16.590 11.876 6.820 1.00 0.00 O ATOM 0 H GLY A 20 13.387 9.452 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.711 11.975 5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.661 11.433 6.437 1.00 0.00 H new ATOM 290 N LYS A 21 15.811 9.865 7.451 1.00 0.00 N ATOM 291 CA LYS A 21 16.942 9.637 8.356 1.00 0.00 C ATOM 292 C LYS A 21 18.275 9.678 7.626 1.00 0.00 C ATOM 293 O LYS A 21 19.233 10.280 8.110 1.00 0.00 O ATOM 294 CB LYS A 21 16.800 8.276 9.032 1.00 0.00 C ATOM 295 CG LYS A 21 17.966 8.016 9.977 1.00 0.00 C ATOM 296 CD LYS A 21 17.768 6.636 10.604 1.00 0.00 C ATOM 297 CE LYS A 21 17.922 5.550 9.529 1.00 0.00 C ATOM 298 NZ LYS A 21 16.574 5.140 9.043 1.00 0.00 N ATOM 0 H LYS A 21 15.124 9.112 7.417 1.00 0.00 H new ATOM 0 HA LYS A 21 16.928 10.438 9.095 1.00 0.00 H new ATOM 0 HB2 LYS A 21 15.862 8.236 9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.757 7.492 8.276 1.00 0.00 H new ATOM 0 HG2 LYS A 21 18.911 8.056 9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 21 18.008 8.783 10.750 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.497 6.480 11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.780 6.572 11.060 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.521 5.926 8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.450 4.689 9.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.604 4.999 8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.293 4.252 9.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.882 5.883 9.270 1.00 0.00 H new ATOM 312 N GLU A 22 18.347 9.033 6.467 1.00 0.00 N ATOM 313 CA GLU A 22 19.594 9.016 5.708 1.00 0.00 C ATOM 314 C GLU A 22 19.339 9.265 4.228 1.00 0.00 C ATOM 315 O GLU A 22 18.376 8.749 3.673 1.00 0.00 O ATOM 316 CB GLU A 22 20.291 7.668 5.897 1.00 0.00 C ATOM 317 CG GLU A 22 21.669 7.703 5.237 1.00 0.00 C ATOM 318 CD GLU A 22 22.333 6.336 5.346 1.00 0.00 C ATOM 319 OE1 GLU A 22 21.703 5.435 5.874 1.00 0.00 O ATOM 320 OE2 GLU A 22 23.461 6.210 4.899 1.00 0.00 O ATOM 0 H GLU A 22 17.574 8.524 6.038 1.00 0.00 H new ATOM 0 HA GLU A 22 20.235 9.816 6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.392 7.446 6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.688 6.872 5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 22 21.572 7.987 4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 22 22.292 8.458 5.716 1.00 0.00 H new ATOM 327 N GLY A 23 20.215 10.038 3.588 1.00 0.00 N ATOM 328 CA GLY A 23 20.072 10.306 2.159 1.00 0.00 C ATOM 329 C GLY A 23 18.983 11.334 1.895 1.00 0.00 C ATOM 330 O GLY A 23 18.547 12.040 2.804 1.00 0.00 O ATOM 0 H GLY A 23 21.020 10.484 4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.019 10.666 1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 23 19.835 9.380 1.635 1.00 0.00 H new ATOM 334 N ASP A 24 18.525 11.396 0.645 1.00 0.00 N ATOM 335 CA ASP A 24 17.462 12.324 0.289 1.00 0.00 C ATOM 336 C ASP A 24 16.178 11.885 0.980 1.00 0.00 C ATOM 337 O ASP A 24 15.919 10.688 1.127 1.00 0.00 O ATOM 338 CB ASP A 24 17.260 12.358 -1.226 1.00 0.00 C ATOM 339 CG ASP A 24 18.494 12.945 -1.903 1.00 0.00 C ATOM 340 OD1 ASP A 24 19.316 13.513 -1.205 1.00 0.00 O ATOM 341 OD2 ASP A 24 18.598 12.816 -3.112 1.00 0.00 O ATOM 0 H ASP A 24 18.870 10.822 -0.125 1.00 0.00 H new ATOM 0 HA ASP A 24 17.734 13.328 0.614 1.00 0.00 H new ATOM 0 HB2 ASP A 24 17.075 11.351 -1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 24 16.382 12.955 -1.471 1.00 0.00 H new ATOM 346 N LYS A 25 15.404 12.855 1.440 1.00 0.00 N ATOM 347 CA LYS A 25 14.174 12.560 2.159 1.00 0.00 C ATOM 348 C LYS A 25 13.184 11.770 1.308 1.00 0.00 C ATOM 349 O LYS A 25 12.394 10.991 1.834 1.00 0.00 O ATOM 350 CB LYS A 25 13.512 13.851 2.644 1.00 0.00 C ATOM 351 CG LYS A 25 14.492 14.637 3.549 1.00 0.00 C ATOM 352 CD LYS A 25 13.759 15.803 4.224 1.00 0.00 C ATOM 353 CE LYS A 25 13.305 16.821 3.173 1.00 0.00 C ATOM 354 NZ LYS A 25 13.310 18.184 3.775 1.00 0.00 N ATOM 0 H LYS A 25 15.604 13.849 1.329 1.00 0.00 H new ATOM 0 HA LYS A 25 14.449 11.944 3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.220 14.463 1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.601 13.618 3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.913 13.974 4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.325 15.014 2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.896 15.429 4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.416 16.285 4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.969 16.790 2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.306 16.572 2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.578 18.767 3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.114 18.114 4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.242 18.624 3.631 1.00 0.00 H new ATOM 368 N TYR A 26 13.191 12.005 0.005 1.00 0.00 N ATOM 369 CA TYR A 26 12.248 11.331 -0.889 1.00 0.00 C ATOM 370 C TYR A 26 12.909 10.261 -1.752 1.00 0.00 C ATOM 371 O TYR A 26 12.337 9.857 -2.764 1.00 0.00 O ATOM 372 CB TYR A 26 11.574 12.361 -1.794 1.00 0.00 C ATOM 373 CG TYR A 26 10.807 13.339 -0.942 1.00 0.00 C ATOM 374 CD1 TYR A 26 9.536 13.000 -0.467 1.00 0.00 C ATOM 375 CD2 TYR A 26 11.367 14.581 -0.622 1.00 0.00 C ATOM 376 CE1 TYR A 26 8.823 13.903 0.329 1.00 0.00 C ATOM 377 CE2 TYR A 26 10.655 15.485 0.174 1.00 0.00 C ATOM 378 CZ TYR A 26 9.381 15.144 0.649 1.00 0.00 C ATOM 379 OH TYR A 26 8.680 16.031 1.436 1.00 0.00 O ATOM 0 H TYR A 26 13.831 12.650 -0.459 1.00 0.00 H new ATOM 0 HA TYR A 26 11.514 10.831 -0.257 1.00 0.00 H new ATOM 0 HB2 TYR A 26 12.322 12.886 -2.388 1.00 0.00 H new ATOM 0 HB3 TYR A 26 10.902 11.864 -2.494 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.105 12.041 -0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 26 12.349 14.842 -0.989 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.842 13.641 0.696 1.00 0.00 H new ATOM 0 HE2 TYR A 26 11.086 16.444 0.422 1.00 0.00 H new ATOM 0 HH TYR A 26 8.445 16.822 0.908 1.00 0.00 H new ATOM 389 N LYS A 27 14.093 9.776 -1.372 1.00 0.00 N ATOM 390 CA LYS A 27 14.727 8.729 -2.185 1.00 0.00 C ATOM 391 C LYS A 27 15.320 7.679 -1.263 1.00 0.00 C ATOM 392 O LYS A 27 15.898 8.015 -0.229 1.00 0.00 O ATOM 393 CB LYS A 27 15.822 9.304 -3.098 1.00 0.00 C ATOM 394 CG LYS A 27 16.034 8.383 -4.301 1.00 0.00 C ATOM 395 CD LYS A 27 14.909 8.621 -5.336 1.00 0.00 C ATOM 396 CE LYS A 27 15.263 7.950 -6.658 1.00 0.00 C ATOM 397 NZ LYS A 27 14.357 8.454 -7.728 1.00 0.00 N ATOM 0 H LYS A 27 14.615 10.072 -0.547 1.00 0.00 H new ATOM 0 HA LYS A 27 13.967 8.282 -2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.539 10.300 -3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.753 9.410 -2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.006 8.576 -4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.033 7.341 -3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.967 8.224 -4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.765 9.691 -5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.301 8.158 -6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.168 6.868 -6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.405 7.820 -8.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.381 8.484 -7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.652 9.411 -8.010 1.00 0.00 H new ATOM 411 N LEU A 28 15.158 6.412 -1.614 1.00 0.00 N ATOM 412 CA LEU A 28 15.670 5.343 -0.768 1.00 0.00 C ATOM 413 C LEU A 28 16.801 4.611 -1.508 1.00 0.00 C ATOM 414 O LEU A 28 16.623 4.167 -2.642 1.00 0.00 O ATOM 415 CB LEU A 28 14.487 4.411 -0.477 1.00 0.00 C ATOM 416 CG LEU A 28 14.687 3.547 0.791 1.00 0.00 C ATOM 417 CD1 LEU A 28 14.821 4.420 2.060 1.00 0.00 C ATOM 418 CD2 LEU A 28 13.445 2.647 0.965 1.00 0.00 C ATOM 0 H LEU A 28 14.685 6.102 -2.463 1.00 0.00 H new ATOM 0 HA LEU A 28 16.085 5.718 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.582 5.008 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.330 3.756 -1.334 1.00 0.00 H new ATOM 0 HG LEU A 28 15.600 2.965 0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.960 3.778 2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.680 5.083 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.917 5.015 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.565 2.029 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.557 3.270 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.334 2.006 0.090 1.00 0.00 H new ATOM 430 N SER A 29 17.964 4.501 -0.867 1.00 0.00 N ATOM 431 CA SER A 29 19.123 3.837 -1.474 1.00 0.00 C ATOM 432 C SER A 29 19.246 2.396 -0.984 1.00 0.00 C ATOM 433 O SER A 29 18.560 1.996 -0.046 1.00 0.00 O ATOM 434 CB SER A 29 20.400 4.618 -1.171 1.00 0.00 C ATOM 435 OG SER A 29 20.680 4.538 0.213 1.00 0.00 O ATOM 0 H SER A 29 18.131 4.862 0.072 1.00 0.00 H new ATOM 0 HA SER A 29 18.976 3.814 -2.554 1.00 0.00 H new ATOM 0 HB2 SER A 29 21.233 4.213 -1.746 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.283 5.660 -1.470 1.00 0.00 H new ATOM 0 HG SER A 29 20.399 5.368 0.652 1.00 0.00 H new ATOM 441 N LYS A 30 20.096 1.607 -1.643 1.00 0.00 N ATOM 442 CA LYS A 30 20.254 0.197 -1.278 1.00 0.00 C ATOM 443 C LYS A 30 20.564 0.016 0.197 1.00 0.00 C ATOM 444 O LYS A 30 19.936 -0.801 0.889 1.00 0.00 O ATOM 445 CB LYS A 30 21.464 -0.367 -2.016 1.00 0.00 C ATOM 446 CG LYS A 30 21.610 -1.864 -1.719 1.00 0.00 C ATOM 447 CD LYS A 30 22.910 -2.362 -2.345 1.00 0.00 C ATOM 448 CE LYS A 30 24.096 -1.721 -1.607 1.00 0.00 C ATOM 449 NZ LYS A 30 25.247 -2.669 -1.606 1.00 0.00 N ATOM 0 H LYS A 30 20.679 1.914 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 30 19.318 -0.301 -1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 30 21.351 -0.210 -3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 30 22.366 0.162 -1.710 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.618 -2.037 -0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.761 -2.414 -2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.968 -3.448 -2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.941 -2.105 -3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 30 24.380 -0.787 -2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 30 23.812 -1.475 -0.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.051 -2.238 -1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 24.972 -3.549 -1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 25.522 -2.883 -2.586 1.00 0.00 H new ATOM 463 N LYS A 31 21.535 0.767 0.675 1.00 0.00 N ATOM 464 CA LYS A 31 21.923 0.651 2.058 1.00 0.00 C ATOM 465 C LYS A 31 20.760 1.010 2.965 1.00 0.00 C ATOM 466 O LYS A 31 20.463 0.301 3.925 1.00 0.00 O ATOM 467 CB LYS A 31 23.100 1.581 2.315 1.00 0.00 C ATOM 468 CG LYS A 31 22.625 3.021 2.162 1.00 0.00 C ATOM 469 CD LYS A 31 23.811 3.950 2.254 1.00 0.00 C ATOM 470 CE LYS A 31 23.335 5.402 2.320 1.00 0.00 C ATOM 471 NZ LYS A 31 22.968 5.865 0.952 1.00 0.00 N ATOM 0 H LYS A 31 22.061 1.453 0.133 1.00 0.00 H new ATOM 0 HA LYS A 31 22.213 -0.378 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 31 23.499 1.419 3.316 1.00 0.00 H new ATOM 0 HB3 LYS A 31 23.907 1.372 1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 31 22.121 3.150 1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 31 21.899 3.261 2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 31 24.402 3.712 3.138 1.00 0.00 H new ATOM 0 HD3 LYS A 31 24.460 3.811 1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 31 22.477 5.485 2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 31 24.121 6.036 2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 22.518 6.801 1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 23.825 5.929 0.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 22.305 5.189 0.523 1.00 0.00 H new ATOM 485 N GLU A 32 20.120 2.136 2.667 1.00 0.00 N ATOM 486 CA GLU A 32 19.006 2.587 3.494 1.00 0.00 C ATOM 487 C GLU A 32 17.838 1.595 3.477 1.00 0.00 C ATOM 488 O GLU A 32 17.357 1.196 4.539 1.00 0.00 O ATOM 489 CB GLU A 32 18.479 3.934 2.975 1.00 0.00 C ATOM 490 CG GLU A 32 19.571 5.002 3.064 1.00 0.00 C ATOM 491 CD GLU A 32 19.040 6.368 2.622 1.00 0.00 C ATOM 492 OE1 GLU A 32 17.879 6.459 2.240 1.00 0.00 O ATOM 493 OE2 GLU A 32 19.807 7.312 2.682 1.00 0.00 O ATOM 0 H GLU A 32 20.346 2.741 1.878 1.00 0.00 H new ATOM 0 HA GLU A 32 19.386 2.676 4.512 1.00 0.00 H new ATOM 0 HB2 GLU A 32 18.147 3.829 1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.611 4.242 3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 32 19.940 5.065 4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 32 20.416 4.716 2.438 1.00 0.00 H new ATOM 500 N LEU A 33 17.391 1.157 2.289 1.00 0.00 N ATOM 501 CA LEU A 33 16.273 0.216 2.264 1.00 0.00 C ATOM 502 C LEU A 33 16.645 -1.045 2.984 1.00 0.00 C ATOM 503 O LEU A 33 15.825 -1.629 3.692 1.00 0.00 O ATOM 504 CB LEU A 33 15.750 -0.106 0.855 1.00 0.00 C ATOM 505 CG LEU A 33 16.877 -0.498 -0.122 1.00 0.00 C ATOM 506 CD1 LEU A 33 16.932 -2.030 -0.303 1.00 0.00 C ATOM 507 CD2 LEU A 33 16.598 0.163 -1.493 1.00 0.00 C ATOM 0 H LEU A 33 17.767 1.425 1.379 1.00 0.00 H new ATOM 0 HA LEU A 33 15.450 0.714 2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.029 -0.921 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.219 0.761 0.462 1.00 0.00 H new ATOM 0 HG LEU A 33 17.831 -0.159 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.734 -2.286 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 33 17.120 -2.504 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.981 -2.384 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.388 -0.106 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.639 -0.185 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.570 1.246 -1.376 1.00 0.00 H new ATOM 519 N LYS A 34 17.887 -1.462 2.853 1.00 0.00 N ATOM 520 CA LYS A 34 18.279 -2.647 3.560 1.00 0.00 C ATOM 521 C LYS A 34 17.985 -2.434 5.038 1.00 0.00 C ATOM 522 O LYS A 34 17.575 -3.360 5.733 1.00 0.00 O ATOM 523 CB LYS A 34 19.771 -2.930 3.356 1.00 0.00 C ATOM 524 CG LYS A 34 20.159 -4.259 4.023 1.00 0.00 C ATOM 525 CD LYS A 34 19.683 -5.438 3.163 1.00 0.00 C ATOM 526 CE LYS A 34 20.208 -6.759 3.739 1.00 0.00 C ATOM 527 NZ LYS A 34 19.170 -7.358 4.623 1.00 0.00 N ATOM 0 H LYS A 34 18.610 -1.016 2.288 1.00 0.00 H new ATOM 0 HA LYS A 34 17.722 -3.504 3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 34 19.998 -2.970 2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.363 -2.118 3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.240 -4.307 4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 34 19.714 -4.320 5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.594 -5.456 3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 34 20.033 -5.315 2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 34 20.456 -7.448 2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 34 21.125 -6.585 4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.190 -8.394 4.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.362 -7.096 5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.232 -7.003 4.347 1.00 0.00 H new ATOM 541 N GLU A 35 18.182 -1.202 5.517 1.00 0.00 N ATOM 542 CA GLU A 35 17.910 -0.905 6.913 1.00 0.00 C ATOM 543 C GLU A 35 16.411 -0.829 7.220 1.00 0.00 C ATOM 544 O GLU A 35 15.973 -1.262 8.286 1.00 0.00 O ATOM 545 CB GLU A 35 18.584 0.411 7.306 1.00 0.00 C ATOM 546 CG GLU A 35 20.103 0.249 7.227 1.00 0.00 C ATOM 547 CD GLU A 35 20.789 1.534 7.678 1.00 0.00 C ATOM 548 OE1 GLU A 35 20.093 2.519 7.864 1.00 0.00 O ATOM 549 OE2 GLU A 35 21.998 1.514 7.831 1.00 0.00 O ATOM 0 H GLU A 35 18.522 -0.414 4.966 1.00 0.00 H new ATOM 0 HA GLU A 35 18.319 -1.727 7.500 1.00 0.00 H new ATOM 0 HB2 GLU A 35 18.258 1.212 6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 35 18.290 0.695 8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 35 20.421 -0.583 7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 35 20.399 0.008 6.206 1.00 0.00 H new ATOM 556 N LEU A 36 15.628 -0.233 6.313 1.00 0.00 N ATOM 557 CA LEU A 36 14.195 -0.076 6.577 1.00 0.00 C ATOM 558 C LEU A 36 13.487 -1.433 6.633 1.00 0.00 C ATOM 559 O LEU A 36 12.701 -1.684 7.546 1.00 0.00 O ATOM 560 CB LEU A 36 13.553 0.786 5.473 1.00 0.00 C ATOM 561 CG LEU A 36 12.199 1.381 5.935 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.642 2.302 4.840 1.00 0.00 C ATOM 563 CD2 LEU A 36 11.188 0.275 6.239 1.00 0.00 C ATOM 0 H LEU A 36 15.949 0.137 5.418 1.00 0.00 H new ATOM 0 HA LEU A 36 14.084 0.412 7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.232 1.593 5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.400 0.181 4.580 1.00 0.00 H new ATOM 0 HG LEU A 36 12.368 1.952 6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.690 2.720 5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.348 3.111 4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.493 1.730 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.247 0.721 6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.019 -0.320 5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.576 -0.365 7.031 1.00 0.00 H new ATOM 575 N LEU A 37 13.770 -2.330 5.681 1.00 0.00 N ATOM 576 CA LEU A 37 13.108 -3.633 5.723 1.00 0.00 C ATOM 577 C LEU A 37 13.518 -4.412 6.966 1.00 0.00 C ATOM 578 O LEU A 37 12.673 -5.006 7.628 1.00 0.00 O ATOM 579 CB LEU A 37 13.408 -4.479 4.471 1.00 0.00 C ATOM 580 CG LEU A 37 12.651 -3.947 3.237 1.00 0.00 C ATOM 581 CD1 LEU A 37 11.189 -4.420 3.262 1.00 0.00 C ATOM 582 CD2 LEU A 37 12.681 -2.426 3.213 1.00 0.00 C ATOM 0 H LEU A 37 14.421 -2.187 4.909 1.00 0.00 H new ATOM 0 HA LEU A 37 12.037 -3.435 5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.480 -4.471 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.125 -5.516 4.654 1.00 0.00 H new ATOM 0 HG LEU A 37 13.142 -4.334 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.668 -4.037 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.159 -5.510 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.702 -4.050 4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.143 -2.065 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.207 -2.038 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.715 -2.083 3.171 1.00 0.00 H new ATOM 594 N GLN A 38 14.808 -4.393 7.295 1.00 0.00 N ATOM 595 CA GLN A 38 15.278 -5.106 8.480 1.00 0.00 C ATOM 596 C GLN A 38 14.673 -4.533 9.756 1.00 0.00 C ATOM 597 O GLN A 38 14.324 -5.276 10.674 1.00 0.00 O ATOM 598 CB GLN A 38 16.805 -5.051 8.567 1.00 0.00 C ATOM 599 CG GLN A 38 17.421 -5.840 7.406 1.00 0.00 C ATOM 600 CD GLN A 38 18.942 -5.734 7.463 1.00 0.00 C ATOM 601 OE1 GLN A 38 19.672 -6.648 6.885 1.00 0.00 O flip ATOM 602 NE2 GLN A 38 19.478 -4.802 8.063 1.00 0.00 N flip ATOM 0 H GLN A 38 15.533 -3.903 6.771 1.00 0.00 H new ATOM 0 HA GLN A 38 14.957 -6.143 8.385 1.00 0.00 H new ATOM 0 HB2 GLN A 38 17.143 -4.015 8.534 1.00 0.00 H new ATOM 0 HB3 GLN A 38 17.139 -5.466 9.518 1.00 0.00 H new ATOM 0 HG2 GLN A 38 17.117 -6.885 7.462 1.00 0.00 H new ATOM 0 HG3 GLN A 38 17.055 -5.452 6.455 1.00 0.00 H new ATOM 0 HE21 GLN A 38 18.905 -4.089 8.514 1.00 0.00 H new ATOM 0 HE22 GLN A 38 20.495 -4.743 8.109 1.00 0.00 H new ATOM 611 N THR A 39 14.553 -3.211 9.814 1.00 0.00 N ATOM 612 CA THR A 39 13.990 -2.565 10.994 1.00 0.00 C ATOM 613 C THR A 39 12.488 -2.800 11.098 1.00 0.00 C ATOM 614 O THR A 39 11.942 -2.878 12.198 1.00 0.00 O ATOM 615 CB THR A 39 14.274 -1.060 10.957 1.00 0.00 C ATOM 616 OG1 THR A 39 13.627 -0.486 9.829 1.00 0.00 O ATOM 617 CG2 THR A 39 15.786 -0.806 10.872 1.00 0.00 C ATOM 0 H THR A 39 14.834 -2.573 9.069 1.00 0.00 H new ATOM 0 HA THR A 39 14.465 -3.006 11.870 1.00 0.00 H new ATOM 0 HB THR A 39 13.893 -0.603 11.870 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.436 -1.186 9.170 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.974 0.267 10.846 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.277 -1.240 11.743 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.182 -1.265 9.966 1.00 0.00 H new ATOM 625 N GLU A 40 11.818 -2.889 9.951 1.00 0.00 N ATOM 626 CA GLU A 40 10.369 -3.088 9.945 1.00 0.00 C ATOM 627 C GLU A 40 9.955 -4.534 9.655 1.00 0.00 C ATOM 628 O GLU A 40 9.282 -5.161 10.474 1.00 0.00 O ATOM 629 CB GLU A 40 9.736 -2.154 8.916 1.00 0.00 C ATOM 630 CG GLU A 40 9.831 -0.698 9.389 1.00 0.00 C ATOM 631 CD GLU A 40 9.032 -0.502 10.675 1.00 0.00 C ATOM 632 OE1 GLU A 40 8.158 -1.315 10.938 1.00 0.00 O ATOM 633 OE2 GLU A 40 9.305 0.456 11.379 1.00 0.00 O ATOM 0 H GLU A 40 12.246 -2.828 9.027 1.00 0.00 H new ATOM 0 HA GLU A 40 10.012 -2.859 10.949 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.240 -2.265 7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.692 -2.426 8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.874 -0.431 9.558 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.453 -0.032 8.614 1.00 0.00 H new ATOM 640 N LEU A 41 10.332 -5.064 8.490 1.00 0.00 N ATOM 641 CA LEU A 41 9.947 -6.436 8.138 1.00 0.00 C ATOM 642 C LEU A 41 11.079 -7.422 8.394 1.00 0.00 C ATOM 643 O LEU A 41 12.245 -7.134 8.138 1.00 0.00 O ATOM 644 CB LEU A 41 9.538 -6.527 6.666 1.00 0.00 C ATOM 645 CG LEU A 41 8.424 -5.525 6.325 1.00 0.00 C ATOM 646 CD1 LEU A 41 7.995 -5.756 4.877 1.00 0.00 C ATOM 647 CD2 LEU A 41 7.199 -5.726 7.231 1.00 0.00 C ATOM 0 H LEU A 41 10.890 -4.579 7.787 1.00 0.00 H new ATOM 0 HA LEU A 41 9.100 -6.697 8.773 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.406 -6.336 6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.199 -7.539 6.444 1.00 0.00 H new ATOM 0 HG LEU A 41 8.806 -4.515 6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.204 -5.053 4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.848 -5.604 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.626 -6.776 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.428 -5.003 6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.810 -6.736 7.099 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.489 -5.582 8.272 1.00 0.00 H new ATOM 659 N SER A 42 10.726 -8.601 8.895 1.00 0.00 N ATOM 660 CA SER A 42 11.729 -9.627 9.170 1.00 0.00 C ATOM 661 C SER A 42 11.605 -10.812 8.209 1.00 0.00 C ATOM 662 O SER A 42 12.545 -11.143 7.487 1.00 0.00 O ATOM 663 CB SER A 42 11.577 -10.113 10.616 1.00 0.00 C ATOM 664 OG SER A 42 12.476 -9.391 11.448 1.00 0.00 O ATOM 0 H SER A 42 9.767 -8.869 9.117 1.00 0.00 H new ATOM 0 HA SER A 42 12.715 -9.185 9.025 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.552 -9.967 10.956 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.784 -11.181 10.677 1.00 0.00 H new ATOM 0 HG SER A 42 12.382 -9.697 12.374 1.00 0.00 H new ATOM 670 N GLY A 43 10.450 -11.468 8.245 1.00 0.00 N ATOM 671 CA GLY A 43 10.209 -12.648 7.419 1.00 0.00 C ATOM 672 C GLY A 43 10.347 -12.405 5.913 1.00 0.00 C ATOM 673 O GLY A 43 10.848 -13.271 5.197 1.00 0.00 O ATOM 0 H GLY A 43 9.664 -11.203 8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.907 -13.432 7.714 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.206 -13.021 7.624 1.00 0.00 H new ATOM 677 N PHE A 44 9.879 -11.261 5.416 1.00 0.00 N ATOM 678 CA PHE A 44 9.954 -11.014 3.976 1.00 0.00 C ATOM 679 C PHE A 44 11.393 -10.994 3.459 1.00 0.00 C ATOM 680 O PHE A 44 11.725 -11.717 2.520 1.00 0.00 O ATOM 681 CB PHE A 44 9.264 -9.692 3.641 1.00 0.00 C ATOM 682 CG PHE A 44 7.772 -9.842 3.831 1.00 0.00 C ATOM 683 CD1 PHE A 44 6.980 -10.300 2.771 1.00 0.00 C ATOM 684 CD2 PHE A 44 7.179 -9.530 5.061 1.00 0.00 C ATOM 685 CE1 PHE A 44 5.598 -10.442 2.938 1.00 0.00 C ATOM 686 CE2 PHE A 44 5.797 -9.673 5.229 1.00 0.00 C ATOM 687 CZ PHE A 44 5.007 -10.128 4.167 1.00 0.00 C ATOM 0 H PHE A 44 9.457 -10.513 5.967 1.00 0.00 H new ATOM 0 HA PHE A 44 9.444 -11.839 3.479 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.645 -8.897 4.282 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.484 -9.405 2.613 1.00 0.00 H new ATOM 0 HD1 PHE A 44 7.436 -10.544 1.823 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.789 -9.179 5.880 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.988 -10.794 2.119 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.340 -9.432 6.178 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.940 -10.237 4.296 1.00 0.00 H new ATOM 697 N LEU A 45 12.253 -10.195 4.082 1.00 0.00 N ATOM 698 CA LEU A 45 13.655 -10.147 3.661 1.00 0.00 C ATOM 699 C LEU A 45 14.405 -11.401 4.075 1.00 0.00 C ATOM 700 O LEU A 45 15.246 -11.912 3.333 1.00 0.00 O ATOM 701 CB LEU A 45 14.352 -8.887 4.219 1.00 0.00 C ATOM 702 CG LEU A 45 14.397 -7.799 3.135 1.00 0.00 C ATOM 703 CD1 LEU A 45 15.434 -8.213 2.070 1.00 0.00 C ATOM 704 CD2 LEU A 45 13.003 -7.622 2.493 1.00 0.00 C ATOM 0 H LEU A 45 12.015 -9.583 4.863 1.00 0.00 H new ATOM 0 HA LEU A 45 13.669 -10.097 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.816 -8.520 5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.363 -9.132 4.544 1.00 0.00 H new ATOM 0 HG LEU A 45 14.684 -6.845 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 45 15.480 -7.452 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.414 -8.314 2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.142 -9.166 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.051 -6.848 1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.689 -8.562 2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.284 -7.331 3.259 1.00 0.00 H new ATOM 716 N ASP A 46 14.102 -11.885 5.261 1.00 0.00 N ATOM 717 CA ASP A 46 14.751 -13.075 5.776 1.00 0.00 C ATOM 718 C ASP A 46 14.501 -14.283 4.878 1.00 0.00 C ATOM 719 O ASP A 46 15.317 -15.202 4.816 1.00 0.00 O ATOM 720 CB ASP A 46 14.274 -13.372 7.198 1.00 0.00 C ATOM 721 CG ASP A 46 15.109 -14.494 7.804 1.00 0.00 C ATOM 722 OD1 ASP A 46 16.060 -14.911 7.163 1.00 0.00 O ATOM 723 OD2 ASP A 46 14.787 -14.920 8.901 1.00 0.00 O ATOM 0 H ASP A 46 13.410 -11.474 5.888 1.00 0.00 H new ATOM 0 HA ASP A 46 15.824 -12.883 5.792 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.354 -12.475 7.812 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.222 -13.656 7.186 1.00 0.00 H new ATOM 728 N ALA A 47 13.345 -14.297 4.224 1.00 0.00 N ATOM 729 CA ALA A 47 12.962 -15.420 3.378 1.00 0.00 C ATOM 730 C ALA A 47 13.998 -15.701 2.293 1.00 0.00 C ATOM 731 O ALA A 47 14.146 -16.847 1.870 1.00 0.00 O ATOM 732 CB ALA A 47 11.610 -15.134 2.724 1.00 0.00 C ATOM 0 H ALA A 47 12.658 -13.544 4.264 1.00 0.00 H new ATOM 0 HA ALA A 47 12.897 -16.302 4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.326 -15.976 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.855 -14.990 3.497 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.683 -14.232 2.116 1.00 0.00 H new ATOM 738 N GLN A 48 14.715 -14.680 1.834 1.00 0.00 N ATOM 739 CA GLN A 48 15.712 -14.912 0.795 1.00 0.00 C ATOM 740 C GLN A 48 17.070 -15.205 1.429 1.00 0.00 C ATOM 741 O GLN A 48 17.629 -14.375 2.146 1.00 0.00 O ATOM 742 CB GLN A 48 15.824 -13.682 -0.097 1.00 0.00 C ATOM 743 CG GLN A 48 14.438 -13.306 -0.621 1.00 0.00 C ATOM 744 CD GLN A 48 13.801 -14.497 -1.324 1.00 0.00 C ATOM 745 OE1 GLN A 48 14.394 -15.076 -2.234 1.00 0.00 O ATOM 746 NE2 GLN A 48 12.626 -14.912 -0.935 1.00 0.00 N ATOM 0 H GLN A 48 14.630 -13.715 2.152 1.00 0.00 H new ATOM 0 HA GLN A 48 15.403 -15.768 0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 48 16.251 -12.850 0.464 1.00 0.00 H new ATOM 0 HB3 GLN A 48 16.497 -13.884 -0.930 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.805 -12.980 0.205 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.518 -12.467 -1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.139 -14.429 -0.180 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.195 -15.719 -1.386 1.00 0.00 H new ATOM 755 N LYS A 49 17.579 -16.404 1.170 1.00 0.00 N ATOM 756 CA LYS A 49 18.861 -16.834 1.725 1.00 0.00 C ATOM 757 C LYS A 49 20.051 -15.999 1.249 1.00 0.00 C ATOM 758 O LYS A 49 21.002 -15.789 2.000 1.00 0.00 O ATOM 759 CB LYS A 49 19.104 -18.303 1.375 1.00 0.00 C ATOM 760 CG LYS A 49 18.042 -19.172 2.051 1.00 0.00 C ATOM 761 CD LYS A 49 18.352 -20.649 1.797 1.00 0.00 C ATOM 762 CE LYS A 49 17.225 -21.512 2.366 1.00 0.00 C ATOM 763 NZ LYS A 49 17.639 -22.944 2.348 1.00 0.00 N ATOM 0 H LYS A 49 17.124 -17.099 0.578 1.00 0.00 H new ATOM 0 HA LYS A 49 18.791 -16.693 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 49 19.068 -18.441 0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 49 20.099 -18.606 1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.022 -18.973 3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.054 -18.925 1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.459 -20.830 0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.300 -20.918 2.262 1.00 0.00 H new ATOM 0 HE2 LYS A 49 16.994 -21.202 3.385 1.00 0.00 H new ATOM 0 HE3 LYS A 49 16.317 -21.377 1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.873 -23.532 2.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 17.839 -23.235 1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 18.494 -23.065 2.927 1.00 0.00 H new ATOM 777 N ASP A 50 20.026 -15.566 -0.007 1.00 0.00 N ATOM 778 CA ASP A 50 21.151 -14.811 -0.554 1.00 0.00 C ATOM 779 C ASP A 50 21.272 -13.415 0.050 1.00 0.00 C ATOM 780 O ASP A 50 20.273 -12.736 0.290 1.00 0.00 O ATOM 781 CB ASP A 50 21.027 -14.681 -2.067 1.00 0.00 C ATOM 782 CG ASP A 50 21.157 -16.051 -2.723 1.00 0.00 C ATOM 783 OD1 ASP A 50 21.576 -16.974 -2.043 1.00 0.00 O ATOM 784 OD2 ASP A 50 20.836 -16.158 -3.895 1.00 0.00 O ATOM 0 H ASP A 50 19.255 -15.720 -0.657 1.00 0.00 H new ATOM 0 HA ASP A 50 22.048 -15.373 -0.295 1.00 0.00 H new ATOM 0 HB2 ASP A 50 20.066 -14.236 -2.324 1.00 0.00 H new ATOM 0 HB3 ASP A 50 21.800 -14.012 -2.447 1.00 0.00 H new ATOM 789 N VAL A 51 22.515 -12.988 0.262 1.00 0.00 N ATOM 790 CA VAL A 51 22.784 -11.661 0.804 1.00 0.00 C ATOM 791 C VAL A 51 22.527 -10.617 -0.275 1.00 0.00 C ATOM 792 O VAL A 51 22.195 -9.467 0.013 1.00 0.00 O ATOM 793 CB VAL A 51 24.237 -11.557 1.284 1.00 0.00 C ATOM 794 CG1 VAL A 51 24.588 -12.773 2.151 1.00 0.00 C ATOM 795 CG2 VAL A 51 25.185 -11.481 0.078 1.00 0.00 C ATOM 0 H VAL A 51 23.349 -13.541 0.067 1.00 0.00 H new ATOM 0 HA VAL A 51 22.125 -11.487 1.655 1.00 0.00 H new ATOM 0 HB VAL A 51 24.350 -10.651 1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 51 25.621 -12.693 2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 51 23.925 -12.807 3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 51 24.467 -13.684 1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 51 26.214 -11.407 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 51 25.072 -12.378 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 51 24.942 -10.603 -0.521 1.00 0.00 H new ATOM 805 N ASP A 52 22.678 -11.046 -1.525 1.00 0.00 N ATOM 806 CA ASP A 52 22.460 -10.175 -2.671 1.00 0.00 C ATOM 807 C ASP A 52 20.971 -10.060 -2.948 1.00 0.00 C ATOM 808 O ASP A 52 20.543 -9.399 -3.900 1.00 0.00 O ATOM 809 CB ASP A 52 23.169 -10.740 -3.904 1.00 0.00 C ATOM 810 CG ASP A 52 24.680 -10.691 -3.705 1.00 0.00 C ATOM 811 OD1 ASP A 52 25.114 -10.031 -2.776 1.00 0.00 O ATOM 812 OD2 ASP A 52 25.381 -11.316 -4.484 1.00 0.00 O ATOM 0 H ASP A 52 22.952 -11.998 -1.769 1.00 0.00 H new ATOM 0 HA ASP A 52 22.866 -9.188 -2.449 1.00 0.00 H new ATOM 0 HB2 ASP A 52 22.850 -11.768 -4.078 1.00 0.00 H new ATOM 0 HB3 ASP A 52 22.892 -10.166 -4.788 1.00 0.00 H new ATOM 817 N ALA A 53 20.184 -10.720 -2.110 1.00 0.00 N ATOM 818 CA ALA A 53 18.745 -10.700 -2.275 1.00 0.00 C ATOM 819 C ALA A 53 18.244 -9.265 -2.259 1.00 0.00 C ATOM 820 O ALA A 53 17.331 -8.914 -3.007 1.00 0.00 O ATOM 821 CB ALA A 53 18.090 -11.482 -1.140 1.00 0.00 C ATOM 0 H ALA A 53 20.517 -11.270 -1.318 1.00 0.00 H new ATOM 0 HA ALA A 53 18.487 -11.159 -3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.007 -11.466 -1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.443 -12.513 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.352 -11.026 -0.185 1.00 0.00 H new ATOM 827 N VAL A 54 18.856 -8.424 -1.430 1.00 0.00 N ATOM 828 CA VAL A 54 18.450 -7.027 -1.381 1.00 0.00 C ATOM 829 C VAL A 54 18.630 -6.388 -2.749 1.00 0.00 C ATOM 830 O VAL A 54 17.752 -5.666 -3.238 1.00 0.00 O ATOM 831 CB VAL A 54 19.310 -6.268 -0.370 1.00 0.00 C ATOM 832 CG1 VAL A 54 20.742 -6.157 -0.900 1.00 0.00 C ATOM 833 CG2 VAL A 54 18.746 -4.859 -0.187 1.00 0.00 C ATOM 0 H VAL A 54 19.616 -8.678 -0.799 1.00 0.00 H new ATOM 0 HA VAL A 54 17.402 -6.980 -1.084 1.00 0.00 H new ATOM 0 HB VAL A 54 19.306 -6.801 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 54 21.356 -5.616 -0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 54 21.153 -7.155 -1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 54 20.738 -5.620 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 54 19.356 -4.314 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 54 18.758 -4.335 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.721 -4.922 0.179 1.00 0.00 H new ATOM 843 N ASP A 55 19.765 -6.673 -3.374 1.00 0.00 N ATOM 844 CA ASP A 55 20.031 -6.133 -4.690 1.00 0.00 C ATOM 845 C ASP A 55 18.983 -6.630 -5.659 1.00 0.00 C ATOM 846 O ASP A 55 18.465 -5.872 -6.476 1.00 0.00 O ATOM 847 CB ASP A 55 21.411 -6.581 -5.156 1.00 0.00 C ATOM 848 CG ASP A 55 22.484 -5.927 -4.301 1.00 0.00 C ATOM 849 OD1 ASP A 55 22.141 -5.031 -3.555 1.00 0.00 O ATOM 850 OD2 ASP A 55 23.629 -6.332 -4.405 1.00 0.00 O ATOM 0 H ASP A 55 20.503 -7.266 -2.994 1.00 0.00 H new ATOM 0 HA ASP A 55 20.000 -5.044 -4.649 1.00 0.00 H new ATOM 0 HB2 ASP A 55 21.492 -7.666 -5.090 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.555 -6.314 -6.203 1.00 0.00 H new ATOM 855 N LYS A 56 18.657 -7.912 -5.541 1.00 0.00 N ATOM 856 CA LYS A 56 17.648 -8.501 -6.401 1.00 0.00 C ATOM 857 C LYS A 56 16.315 -7.797 -6.197 1.00 0.00 C ATOM 858 O LYS A 56 15.567 -7.570 -7.147 1.00 0.00 O ATOM 859 CB LYS A 56 17.506 -9.991 -6.086 1.00 0.00 C ATOM 860 CG LYS A 56 18.815 -10.707 -6.425 1.00 0.00 C ATOM 861 CD LYS A 56 18.647 -12.212 -6.215 1.00 0.00 C ATOM 862 CE LYS A 56 19.988 -12.914 -6.439 1.00 0.00 C ATOM 863 NZ LYS A 56 20.425 -12.711 -7.849 1.00 0.00 N ATOM 0 H LYS A 56 19.073 -8.553 -4.866 1.00 0.00 H new ATOM 0 HA LYS A 56 17.953 -8.384 -7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 56 17.264 -10.130 -5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 56 16.685 -10.419 -6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.095 -10.503 -7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 56 19.621 -10.330 -5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 56 18.285 -12.411 -5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 56 17.900 -12.605 -6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.737 -12.517 -5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 56 19.893 -13.979 -6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 21.187 -13.382 -8.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 19.620 -12.871 -8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 20.773 -11.738 -7.968 1.00 0.00 H new ATOM 877 N VAL A 57 16.025 -7.456 -4.943 1.00 0.00 N ATOM 878 CA VAL A 57 14.778 -6.779 -4.625 1.00 0.00 C ATOM 879 C VAL A 57 14.717 -5.391 -5.257 1.00 0.00 C ATOM 880 O VAL A 57 13.694 -5.001 -5.801 1.00 0.00 O ATOM 881 CB VAL A 57 14.631 -6.638 -3.105 1.00 0.00 C ATOM 882 CG1 VAL A 57 13.414 -5.768 -2.790 1.00 0.00 C ATOM 883 CG2 VAL A 57 14.443 -8.019 -2.469 1.00 0.00 C ATOM 0 H VAL A 57 16.631 -7.636 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 57 13.965 -7.382 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 57 15.531 -6.174 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 57 13.309 -5.667 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 57 13.547 -4.782 -3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.518 -6.234 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.339 -7.911 -1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.546 -8.487 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.310 -8.642 -2.690 1.00 0.00 H new ATOM 893 N MET A 58 15.810 -4.639 -5.158 1.00 0.00 N ATOM 894 CA MET A 58 15.839 -3.281 -5.707 1.00 0.00 C ATOM 895 C MET A 58 15.829 -3.215 -7.244 1.00 0.00 C ATOM 896 O MET A 58 15.299 -2.258 -7.815 1.00 0.00 O ATOM 897 CB MET A 58 17.006 -2.468 -5.104 1.00 0.00 C ATOM 898 CG MET A 58 18.313 -2.636 -5.902 1.00 0.00 C ATOM 899 SD MET A 58 18.688 -1.096 -6.781 1.00 0.00 S ATOM 900 CE MET A 58 19.145 -0.101 -5.337 1.00 0.00 C ATOM 0 H MET A 58 16.676 -4.938 -4.710 1.00 0.00 H new ATOM 0 HA MET A 58 14.899 -2.820 -5.405 1.00 0.00 H new ATOM 0 HB2 MET A 58 16.734 -1.413 -5.076 1.00 0.00 H new ATOM 0 HB3 MET A 58 17.170 -2.782 -4.073 1.00 0.00 H new ATOM 0 HG2 MET A 58 19.132 -2.892 -5.229 1.00 0.00 H new ATOM 0 HG3 MET A 58 18.215 -3.458 -6.612 1.00 0.00 H new ATOM 0 HE1 MET A 58 18.417 0.698 -5.201 1.00 0.00 H new ATOM 0 HE2 MET A 58 19.160 -0.733 -4.449 1.00 0.00 H new ATOM 0 HE3 MET A 58 20.134 0.332 -5.491 1.00 0.00 H new ATOM 910 N LYS A 59 16.441 -4.192 -7.924 1.00 0.00 N ATOM 911 CA LYS A 59 16.493 -4.136 -9.386 1.00 0.00 C ATOM 912 C LYS A 59 15.113 -4.083 -10.031 1.00 0.00 C ATOM 913 O LYS A 59 14.907 -3.334 -10.986 1.00 0.00 O ATOM 914 CB LYS A 59 17.258 -5.318 -9.948 1.00 0.00 C ATOM 915 CG LYS A 59 18.714 -5.258 -9.451 1.00 0.00 C ATOM 916 CD LYS A 59 19.642 -5.556 -10.610 1.00 0.00 C ATOM 917 CE LYS A 59 19.454 -7.002 -11.081 1.00 0.00 C ATOM 918 NZ LYS A 59 19.725 -7.932 -9.947 1.00 0.00 N ATOM 0 H LYS A 59 16.892 -5.004 -7.502 1.00 0.00 H new ATOM 0 HA LYS A 59 17.010 -3.208 -9.629 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.792 -6.252 -9.634 1.00 0.00 H new ATOM 0 HB3 LYS A 59 17.231 -5.299 -11.038 1.00 0.00 H new ATOM 0 HG2 LYS A 59 18.931 -4.273 -9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 59 18.868 -5.980 -8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 59 19.441 -4.869 -11.432 1.00 0.00 H new ATOM 0 HD3 LYS A 59 20.677 -5.396 -10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 59 18.439 -7.147 -11.450 1.00 0.00 H new ATOM 0 HE3 LYS A 59 20.128 -7.216 -11.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.982 -8.868 -10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 20.509 -7.561 -9.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.873 -8.017 -9.356 1.00 0.00 H new ATOM 932 N GLU A 60 14.162 -4.859 -9.521 1.00 0.00 N ATOM 933 CA GLU A 60 12.825 -4.836 -10.100 1.00 0.00 C ATOM 934 C GLU A 60 12.112 -3.537 -9.745 1.00 0.00 C ATOM 935 O GLU A 60 11.341 -2.998 -10.540 1.00 0.00 O ATOM 936 CB GLU A 60 12.009 -6.041 -9.614 1.00 0.00 C ATOM 937 CG GLU A 60 11.551 -5.824 -8.171 1.00 0.00 C ATOM 938 CD GLU A 60 10.866 -7.082 -7.647 1.00 0.00 C ATOM 939 OE1 GLU A 60 10.689 -8.004 -8.427 1.00 0.00 O ATOM 940 OE2 GLU A 60 10.529 -7.106 -6.476 1.00 0.00 O ATOM 0 H GLU A 60 14.286 -5.493 -8.732 1.00 0.00 H new ATOM 0 HA GLU A 60 12.919 -4.895 -11.184 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.143 -6.187 -10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.611 -6.947 -9.679 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.407 -5.577 -7.542 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.865 -4.979 -8.122 1.00 0.00 H new ATOM 947 N LEU A 61 12.378 -3.042 -8.540 1.00 0.00 N ATOM 948 CA LEU A 61 11.760 -1.804 -8.074 1.00 0.00 C ATOM 949 C LEU A 61 12.231 -0.594 -8.847 1.00 0.00 C ATOM 950 O LEU A 61 11.464 0.347 -9.041 1.00 0.00 O ATOM 951 CB LEU A 61 12.063 -1.568 -6.592 1.00 0.00 C ATOM 952 CG LEU A 61 11.513 -2.702 -5.722 1.00 0.00 C ATOM 953 CD1 LEU A 61 11.888 -2.430 -4.254 1.00 0.00 C ATOM 954 CD2 LEU A 61 9.982 -2.769 -5.851 1.00 0.00 C ATOM 0 H LEU A 61 13.014 -3.476 -7.871 1.00 0.00 H new ATOM 0 HA LEU A 61 10.688 -1.927 -8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.140 -1.486 -6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.626 -0.620 -6.276 1.00 0.00 H new ATOM 0 HG LEU A 61 11.939 -3.650 -6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.501 -3.232 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.973 -2.385 -4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.456 -1.480 -3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.600 -3.578 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.548 -1.824 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.712 -2.952 -6.891 1.00 0.00 H new ATOM 966 N ASP A 62 13.488 -0.577 -9.257 1.00 0.00 N ATOM 967 CA ASP A 62 13.970 0.598 -9.951 1.00 0.00 C ATOM 968 C ASP A 62 13.409 0.678 -11.357 1.00 0.00 C ATOM 969 O ASP A 62 14.013 0.199 -12.317 1.00 0.00 O ATOM 970 CB ASP A 62 15.489 0.604 -10.030 1.00 0.00 C ATOM 971 CG ASP A 62 15.941 1.937 -10.611 1.00 0.00 C ATOM 972 OD1 ASP A 62 15.157 2.878 -10.558 1.00 0.00 O ATOM 973 OD2 ASP A 62 17.045 1.992 -11.123 1.00 0.00 O ATOM 0 H ASP A 62 14.165 -1.329 -9.128 1.00 0.00 H new ATOM 0 HA ASP A 62 13.632 1.462 -9.379 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.920 0.458 -9.039 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.838 -0.218 -10.654 1.00 0.00 H new ATOM 978 N GLU A 63 12.273 1.347 -11.465 1.00 0.00 N ATOM 979 CA GLU A 63 11.643 1.568 -12.756 1.00 0.00 C ATOM 980 C GLU A 63 12.492 2.447 -13.642 1.00 0.00 C ATOM 981 O GLU A 63 12.709 2.186 -14.825 1.00 0.00 O ATOM 982 CB GLU A 63 10.327 2.295 -12.497 1.00 0.00 C ATOM 983 CG GLU A 63 9.701 2.714 -13.818 1.00 0.00 C ATOM 984 CD GLU A 63 8.406 3.478 -13.563 1.00 0.00 C ATOM 985 OE1 GLU A 63 8.084 3.687 -12.405 1.00 0.00 O ATOM 986 OE2 GLU A 63 7.755 3.842 -14.528 1.00 0.00 O ATOM 0 H GLU A 63 11.768 1.747 -10.674 1.00 0.00 H new ATOM 0 HA GLU A 63 11.502 0.609 -13.254 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.644 1.645 -11.950 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.502 3.171 -11.873 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.397 3.339 -14.378 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.500 1.834 -14.429 1.00 0.00 H new ATOM 993 N ASN A 64 12.922 3.508 -13.026 1.00 0.00 N ATOM 994 CA ASN A 64 13.718 4.531 -13.648 1.00 0.00 C ATOM 995 C ASN A 64 15.039 4.004 -14.203 1.00 0.00 C ATOM 996 O ASN A 64 15.550 4.512 -15.202 1.00 0.00 O ATOM 997 CB ASN A 64 14.002 5.525 -12.554 1.00 0.00 C ATOM 998 CG ASN A 64 12.714 6.114 -12.009 1.00 0.00 C ATOM 999 OD1 ASN A 64 12.479 6.044 -10.796 1.00 0.00 O ATOM 1000 ND2 ASN A 64 11.865 6.687 -12.817 1.00 0.00 N ATOM 0 H ASN A 64 12.723 3.694 -12.043 1.00 0.00 H new ATOM 0 HA ASN A 64 13.183 4.954 -14.498 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.553 5.038 -11.749 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.637 6.323 -12.938 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.999 7.082 -12.450 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.067 6.740 -13.815 1.00 0.00 H new ATOM 1007 N GLY A 65 15.619 3.029 -13.513 1.00 0.00 N ATOM 1008 CA GLY A 65 16.918 2.495 -13.911 1.00 0.00 C ATOM 1009 C GLY A 65 18.001 3.322 -13.218 1.00 0.00 C ATOM 1010 O GLY A 65 19.199 3.137 -13.432 1.00 0.00 O ATOM 0 H GLY A 65 15.216 2.595 -12.683 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.001 1.445 -13.629 1.00 0.00 H new ATOM 0 HA3 GLY A 65 17.035 2.545 -14.994 1.00 0.00 H new ATOM 1014 N ASP A 66 17.524 4.242 -12.383 1.00 0.00 N ATOM 1015 CA ASP A 66 18.356 5.156 -11.612 1.00 0.00 C ATOM 1016 C ASP A 66 19.287 4.434 -10.630 1.00 0.00 C ATOM 1017 O ASP A 66 20.376 4.922 -10.328 1.00 0.00 O ATOM 1018 CB ASP A 66 17.421 6.125 -10.869 1.00 0.00 C ATOM 1019 CG ASP A 66 16.509 5.357 -9.905 1.00 0.00 C ATOM 1020 OD1 ASP A 66 16.785 4.201 -9.651 1.00 0.00 O ATOM 1021 OD2 ASP A 66 15.529 5.929 -9.454 1.00 0.00 O ATOM 0 H ASP A 66 16.526 4.374 -12.222 1.00 0.00 H new ATOM 0 HA ASP A 66 19.014 5.694 -12.295 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.010 6.857 -10.316 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.817 6.679 -11.587 1.00 0.00 H new ATOM 1026 N GLY A 67 18.843 3.301 -10.111 1.00 0.00 N ATOM 1027 CA GLY A 67 19.624 2.547 -9.136 1.00 0.00 C ATOM 1028 C GLY A 67 19.104 2.854 -7.740 1.00 0.00 C ATOM 1029 O GLY A 67 19.521 2.254 -6.749 1.00 0.00 O ATOM 0 H GLY A 67 17.944 2.880 -10.347 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.549 1.479 -9.339 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.678 2.813 -9.212 1.00 0.00 H new ATOM 1033 N GLU A 68 18.153 3.780 -7.698 1.00 0.00 N ATOM 1034 CA GLU A 68 17.501 4.182 -6.460 1.00 0.00 C ATOM 1035 C GLU A 68 16.039 3.766 -6.457 1.00 0.00 C ATOM 1036 O GLU A 68 15.398 3.648 -7.512 1.00 0.00 O ATOM 1037 CB GLU A 68 17.544 5.699 -6.276 1.00 0.00 C ATOM 1038 CG GLU A 68 18.960 6.208 -6.020 1.00 0.00 C ATOM 1039 CD GLU A 68 19.735 6.319 -7.330 1.00 0.00 C ATOM 1040 OE1 GLU A 68 19.107 6.278 -8.375 1.00 0.00 O ATOM 1041 OE2 GLU A 68 20.947 6.440 -7.268 1.00 0.00 O ATOM 0 H GLU A 68 17.813 4.273 -8.523 1.00 0.00 H new ATOM 0 HA GLU A 68 18.041 3.690 -5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.141 6.183 -7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.902 5.981 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.920 7.181 -5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 68 19.478 5.531 -5.341 1.00 0.00 H new ATOM 1048 N VAL A 69 15.506 3.601 -5.254 1.00 0.00 N ATOM 1049 CA VAL A 69 14.108 3.251 -5.087 1.00 0.00 C ATOM 1050 C VAL A 69 13.380 4.486 -4.580 1.00 0.00 C ATOM 1051 O VAL A 69 13.842 5.134 -3.646 1.00 0.00 O ATOM 1052 CB VAL A 69 13.989 2.118 -4.060 1.00 0.00 C ATOM 1053 CG1 VAL A 69 12.536 1.673 -3.923 1.00 0.00 C ATOM 1054 CG2 VAL A 69 14.842 0.932 -4.505 1.00 0.00 C ATOM 0 H VAL A 69 16.023 3.705 -4.381 1.00 0.00 H new ATOM 0 HA VAL A 69 13.675 2.917 -6.030 1.00 0.00 H new ATOM 0 HB VAL A 69 14.339 2.483 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 69 12.469 0.869 -3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.927 2.515 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 69 12.172 1.317 -4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.756 0.128 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.495 0.578 -5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.884 1.242 -4.583 1.00 0.00 H new ATOM 1064 N ASP A 70 12.254 4.838 -5.200 1.00 0.00 N ATOM 1065 CA ASP A 70 11.529 6.036 -4.770 1.00 0.00 C ATOM 1066 C ASP A 70 10.329 5.656 -3.911 1.00 0.00 C ATOM 1067 O ASP A 70 9.996 4.479 -3.768 1.00 0.00 O ATOM 1068 CB ASP A 70 11.096 6.884 -5.977 1.00 0.00 C ATOM 1069 CG ASP A 70 9.970 6.212 -6.750 1.00 0.00 C ATOM 1070 OD1 ASP A 70 9.294 5.385 -6.172 1.00 0.00 O ATOM 1071 OD2 ASP A 70 9.771 6.569 -7.899 1.00 0.00 O ATOM 0 H ASP A 70 11.833 4.330 -5.978 1.00 0.00 H new ATOM 0 HA ASP A 70 12.204 6.642 -4.165 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.770 7.866 -5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.949 7.043 -6.637 1.00 0.00 H new ATOM 1076 N PHE A 71 9.707 6.662 -3.319 1.00 0.00 N ATOM 1077 CA PHE A 71 8.563 6.452 -2.441 1.00 0.00 C ATOM 1078 C PHE A 71 7.491 5.623 -3.161 1.00 0.00 C ATOM 1079 O PHE A 71 6.938 4.691 -2.597 1.00 0.00 O ATOM 1080 CB PHE A 71 8.003 7.840 -2.101 1.00 0.00 C ATOM 1081 CG PHE A 71 7.108 7.857 -0.869 1.00 0.00 C ATOM 1082 CD1 PHE A 71 6.551 6.689 -0.316 1.00 0.00 C ATOM 1083 CD2 PHE A 71 6.827 9.095 -0.285 1.00 0.00 C ATOM 1084 CE1 PHE A 71 5.725 6.777 0.816 1.00 0.00 C ATOM 1085 CE2 PHE A 71 6.007 9.176 0.839 1.00 0.00 C ATOM 1086 CZ PHE A 71 5.456 8.019 1.389 1.00 0.00 C ATOM 0 H PHE A 71 9.976 7.640 -3.430 1.00 0.00 H new ATOM 0 HA PHE A 71 8.858 5.914 -1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 71 8.834 8.528 -1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.437 8.212 -2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.758 5.727 -0.761 1.00 0.00 H new ATOM 0 HD2 PHE A 71 7.248 9.995 -0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.298 5.882 1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.798 10.137 1.285 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.820 8.085 2.260 1.00 0.00 H new ATOM 1096 N GLN A 72 7.203 5.958 -4.412 1.00 0.00 N ATOM 1097 CA GLN A 72 6.183 5.215 -5.164 1.00 0.00 C ATOM 1098 C GLN A 72 6.560 3.736 -5.349 1.00 0.00 C ATOM 1099 O GLN A 72 5.708 2.844 -5.212 1.00 0.00 O ATOM 1100 CB GLN A 72 5.983 5.874 -6.534 1.00 0.00 C ATOM 1101 CG GLN A 72 5.410 7.284 -6.341 1.00 0.00 C ATOM 1102 CD GLN A 72 5.234 7.984 -7.679 1.00 0.00 C ATOM 1103 OE1 GLN A 72 5.782 7.548 -8.692 1.00 0.00 O ATOM 1104 NE2 GLN A 72 4.496 9.058 -7.736 1.00 0.00 N ATOM 0 H GLN A 72 7.646 6.721 -4.924 1.00 0.00 H new ATOM 0 HA GLN A 72 5.257 5.245 -4.590 1.00 0.00 H new ATOM 0 HB2 GLN A 72 6.932 5.925 -7.068 1.00 0.00 H new ATOM 0 HB3 GLN A 72 5.306 5.275 -7.143 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.450 7.224 -5.828 1.00 0.00 H new ATOM 0 HG3 GLN A 72 6.075 7.868 -5.705 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.046 9.413 -6.892 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.369 9.543 -8.624 1.00 0.00 H new ATOM 1113 N GLU A 73 7.837 3.470 -5.636 1.00 0.00 N ATOM 1114 CA GLU A 73 8.284 2.093 -5.818 1.00 0.00 C ATOM 1115 C GLU A 73 8.146 1.326 -4.495 1.00 0.00 C ATOM 1116 O GLU A 73 7.686 0.175 -4.443 1.00 0.00 O ATOM 1117 CB GLU A 73 9.755 2.095 -6.262 1.00 0.00 C ATOM 1118 CG GLU A 73 9.916 2.737 -7.653 1.00 0.00 C ATOM 1119 CD GLU A 73 11.386 2.682 -8.080 1.00 0.00 C ATOM 1120 OE1 GLU A 73 12.156 2.070 -7.365 1.00 0.00 O ATOM 1121 OE2 GLU A 73 11.720 3.221 -9.132 1.00 0.00 O ATOM 0 H GLU A 73 8.565 4.177 -5.745 1.00 0.00 H new ATOM 0 HA GLU A 73 7.672 1.607 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.356 2.641 -5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.132 1.073 -6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.296 2.212 -8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.573 3.771 -7.629 1.00 0.00 H new ATOM 1128 N TYR A 74 8.515 2.008 -3.418 1.00 0.00 N ATOM 1129 CA TYR A 74 8.417 1.449 -2.076 1.00 0.00 C ATOM 1130 C TYR A 74 6.958 1.178 -1.730 1.00 0.00 C ATOM 1131 O TYR A 74 6.602 0.157 -1.123 1.00 0.00 O ATOM 1132 CB TYR A 74 8.996 2.460 -1.087 1.00 0.00 C ATOM 1133 CG TYR A 74 9.016 1.876 0.298 1.00 0.00 C ATOM 1134 CD1 TYR A 74 7.912 2.036 1.142 1.00 0.00 C ATOM 1135 CD2 TYR A 74 10.141 1.175 0.738 1.00 0.00 C ATOM 1136 CE1 TYR A 74 7.936 1.491 2.429 1.00 0.00 C ATOM 1137 CE2 TYR A 74 10.165 0.633 2.023 1.00 0.00 C ATOM 1138 CZ TYR A 74 9.065 0.789 2.867 1.00 0.00 C ATOM 1139 OH TYR A 74 9.097 0.254 4.133 1.00 0.00 O ATOM 0 H TYR A 74 8.888 2.957 -3.449 1.00 0.00 H new ATOM 0 HA TYR A 74 8.970 0.511 -2.025 1.00 0.00 H new ATOM 0 HB2 TYR A 74 10.006 2.737 -1.388 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.399 3.372 -1.097 1.00 0.00 H new ATOM 0 HD1 TYR A 74 7.043 2.579 0.800 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.992 1.053 0.084 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.086 1.611 3.084 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.035 0.092 2.365 1.00 0.00 H new ATOM 0 HH TYR A 74 9.214 -0.717 4.075 1.00 0.00 H new ATOM 1149 N VAL A 75 6.128 2.136 -2.121 1.00 0.00 N ATOM 1150 CA VAL A 75 4.692 2.069 -1.860 1.00 0.00 C ATOM 1151 C VAL A 75 4.093 0.834 -2.522 1.00 0.00 C ATOM 1152 O VAL A 75 3.363 0.057 -1.876 1.00 0.00 O ATOM 1153 CB VAL A 75 3.993 3.405 -2.329 1.00 0.00 C ATOM 1154 CG1 VAL A 75 3.019 3.181 -3.493 1.00 0.00 C ATOM 1155 CG2 VAL A 75 3.210 4.032 -1.167 1.00 0.00 C ATOM 0 H VAL A 75 6.424 2.973 -2.623 1.00 0.00 H new ATOM 0 HA VAL A 75 4.519 1.973 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 75 4.791 4.068 -2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.566 4.131 -3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.559 2.768 -4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.239 2.484 -3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.733 4.952 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.447 3.333 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.893 4.256 -0.347 1.00 0.00 H new ATOM 1165 N VAL A 76 4.418 0.608 -3.791 1.00 0.00 N ATOM 1166 CA VAL A 76 3.880 -0.575 -4.431 1.00 0.00 C ATOM 1167 C VAL A 76 4.505 -1.814 -3.802 1.00 0.00 C ATOM 1168 O VAL A 76 3.841 -2.832 -3.669 1.00 0.00 O ATOM 1169 CB VAL A 76 4.075 -0.559 -5.953 1.00 0.00 C ATOM 1170 CG1 VAL A 76 3.510 0.748 -6.522 1.00 0.00 C ATOM 1171 CG2 VAL A 76 5.555 -0.675 -6.307 1.00 0.00 C ATOM 0 H VAL A 76 5.019 1.197 -4.367 1.00 0.00 H new ATOM 0 HA VAL A 76 2.802 -0.591 -4.268 1.00 0.00 H new ATOM 0 HB VAL A 76 3.548 -1.410 -6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.647 0.763 -7.603 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.447 0.817 -6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.034 1.595 -6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.672 -0.662 -7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.100 0.163 -5.873 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.952 -1.610 -5.911 1.00 0.00 H new ATOM 1181 N LEU A 77 5.777 -1.739 -3.389 1.00 0.00 N ATOM 1182 CA LEU A 77 6.383 -2.911 -2.752 1.00 0.00 C ATOM 1183 C LEU A 77 5.582 -3.357 -1.527 1.00 0.00 C ATOM 1184 O LEU A 77 5.220 -4.529 -1.409 1.00 0.00 O ATOM 1185 CB LEU A 77 7.825 -2.583 -2.313 1.00 0.00 C ATOM 1186 CG LEU A 77 8.488 -3.761 -1.549 1.00 0.00 C ATOM 1187 CD1 LEU A 77 8.902 -4.910 -2.482 1.00 0.00 C ATOM 1188 CD2 LEU A 77 9.734 -3.235 -0.836 1.00 0.00 C ATOM 0 H LEU A 77 6.380 -0.921 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 77 6.386 -3.720 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.423 -2.339 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.817 -1.698 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 77 7.756 -4.156 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.360 -5.707 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.022 -5.297 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.618 -4.542 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.214 -4.049 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.430 -2.829 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.448 -2.451 -0.135 1.00 0.00 H new ATOM 1200 N VAL A 78 5.285 -2.434 -0.616 1.00 0.00 N ATOM 1201 CA VAL A 78 4.532 -2.840 0.575 1.00 0.00 C ATOM 1202 C VAL A 78 3.099 -3.222 0.234 1.00 0.00 C ATOM 1203 O VAL A 78 2.541 -4.142 0.835 1.00 0.00 O ATOM 1204 CB VAL A 78 4.520 -1.766 1.684 1.00 0.00 C ATOM 1205 CG1 VAL A 78 5.945 -1.486 2.147 1.00 0.00 C ATOM 1206 CG2 VAL A 78 3.864 -0.461 1.204 1.00 0.00 C ATOM 0 H VAL A 78 5.537 -1.447 -0.668 1.00 0.00 H new ATOM 0 HA VAL A 78 5.059 -3.713 0.960 1.00 0.00 H new ATOM 0 HB VAL A 78 3.930 -2.151 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.931 -0.727 2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.387 -2.402 2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.537 -1.128 1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.874 0.270 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.418 -0.068 0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.834 -0.659 0.907 1.00 0.00 H new ATOM 1216 N ALA A 79 2.493 -2.523 -0.718 1.00 0.00 N ATOM 1217 CA ALA A 79 1.105 -2.846 -1.067 1.00 0.00 C ATOM 1218 C ALA A 79 0.991 -4.215 -1.751 1.00 0.00 C ATOM 1219 O ALA A 79 0.167 -5.072 -1.363 1.00 0.00 O ATOM 1220 CB ALA A 79 0.536 -1.759 -1.977 1.00 0.00 C ATOM 0 H ALA A 79 2.914 -1.759 -1.246 1.00 0.00 H new ATOM 0 HA ALA A 79 0.530 -2.892 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.495 -2.002 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.564 -0.800 -1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.132 -1.698 -2.887 1.00 0.00 H new ATOM 1226 N ALA A 80 1.835 -4.427 -2.756 1.00 0.00 N ATOM 1227 CA ALA A 80 1.834 -5.686 -3.475 1.00 0.00 C ATOM 1228 C ALA A 80 2.213 -6.803 -2.514 1.00 0.00 C ATOM 1229 O ALA A 80 1.628 -7.888 -2.531 1.00 0.00 O ATOM 1230 CB ALA A 80 2.816 -5.622 -4.645 1.00 0.00 C ATOM 0 H ALA A 80 2.521 -3.747 -3.085 1.00 0.00 H new ATOM 0 HA ALA A 80 0.841 -5.882 -3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.808 -6.572 -5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.521 -4.822 -5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.820 -5.426 -4.267 1.00 0.00 H new ATOM 1236 N LEU A 81 3.162 -6.521 -1.627 1.00 0.00 N ATOM 1237 CA LEU A 81 3.519 -7.514 -0.637 1.00 0.00 C ATOM 1238 C LEU A 81 2.344 -7.753 0.296 1.00 0.00 C ATOM 1239 O LEU A 81 2.149 -8.864 0.756 1.00 0.00 O ATOM 1240 CB LEU A 81 4.790 -7.142 0.143 1.00 0.00 C ATOM 1241 CG LEU A 81 6.044 -7.671 -0.588 1.00 0.00 C ATOM 1242 CD1 LEU A 81 6.251 -6.979 -1.935 1.00 0.00 C ATOM 1243 CD2 LEU A 81 7.279 -7.433 0.286 1.00 0.00 C ATOM 0 H LEU A 81 3.679 -5.643 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 81 3.751 -8.440 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.854 -6.059 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.743 -7.561 1.148 1.00 0.00 H new ATOM 0 HG LEU A 81 5.898 -8.736 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.143 -7.380 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.384 -7.156 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.374 -5.907 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.165 -7.805 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.391 -6.365 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.161 -7.959 1.234 1.00 0.00 H new ATOM 1255 N THR A 82 1.560 -6.710 0.586 1.00 0.00 N ATOM 1256 CA THR A 82 0.411 -6.886 1.475 1.00 0.00 C ATOM 1257 C THR A 82 -0.607 -7.860 0.875 1.00 0.00 C ATOM 1258 O THR A 82 -1.028 -8.831 1.534 1.00 0.00 O ATOM 1259 CB THR A 82 -0.265 -5.526 1.698 1.00 0.00 C ATOM 1260 OG1 THR A 82 0.699 -4.587 2.150 1.00 0.00 O ATOM 1261 CG2 THR A 82 -1.371 -5.652 2.748 1.00 0.00 C ATOM 0 H THR A 82 1.694 -5.763 0.230 1.00 0.00 H new ATOM 0 HA THR A 82 0.765 -7.296 2.421 1.00 0.00 H new ATOM 0 HB THR A 82 -0.700 -5.190 0.757 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.239 -4.281 1.391 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.843 -4.681 2.898 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.117 -6.369 2.406 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.942 -5.996 3.689 1.00 0.00 H new ATOM 1269 N VAL A 83 -0.989 -7.625 -0.383 1.00 0.00 N ATOM 1270 CA VAL A 83 -1.951 -8.537 -1.022 1.00 0.00 C ATOM 1271 C VAL A 83 -1.362 -9.940 -1.167 1.00 0.00 C ATOM 1272 O VAL A 83 -2.050 -10.944 -0.932 1.00 0.00 O ATOM 1273 CB VAL A 83 -2.460 -8.000 -2.381 1.00 0.00 C ATOM 1274 CG1 VAL A 83 -1.337 -7.919 -3.414 1.00 0.00 C ATOM 1275 CG2 VAL A 83 -3.539 -8.944 -2.921 1.00 0.00 C ATOM 0 H VAL A 83 -0.667 -6.849 -0.961 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.818 -8.597 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.856 -6.998 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.735 -7.538 -4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.557 -7.249 -3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.917 -8.912 -3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.902 -8.571 -3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.117 -9.940 -3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.367 -8.993 -2.213 1.00 0.00 H new ATOM 1285 N ALA A 84 -0.080 -10.012 -1.516 1.00 0.00 N ATOM 1286 CA ALA A 84 0.579 -11.300 -1.651 1.00 0.00 C ATOM 1287 C ALA A 84 0.664 -11.987 -0.297 1.00 0.00 C ATOM 1288 O ALA A 84 0.662 -13.212 -0.207 1.00 0.00 O ATOM 1289 CB ALA A 84 1.977 -11.122 -2.235 1.00 0.00 C ATOM 0 H ALA A 84 0.513 -9.204 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.006 -11.922 -2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.458 -12.095 -2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.904 -10.656 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.569 -10.488 -1.575 1.00 0.00 H new ATOM 1295 N CYS A 85 0.750 -11.178 0.753 1.00 0.00 N ATOM 1296 CA CYS A 85 0.847 -11.700 2.103 1.00 0.00 C ATOM 1297 C CYS A 85 -0.455 -12.359 2.492 1.00 0.00 C ATOM 1298 O CYS A 85 -0.475 -13.532 2.863 1.00 0.00 O ATOM 1299 CB CYS A 85 1.159 -10.578 3.094 1.00 0.00 C ATOM 1300 SG CYS A 85 1.583 -11.298 4.701 1.00 0.00 S ATOM 0 H CYS A 85 0.754 -10.160 0.691 1.00 0.00 H new ATOM 0 HA CYS A 85 1.654 -12.432 2.131 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.986 -9.971 2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.298 -9.917 3.195 1.00 0.00 H new ATOM 1305 N ASN A 86 -1.556 -11.620 2.396 1.00 0.00 N ATOM 1306 CA ASN A 86 -2.828 -12.228 2.745 1.00 0.00 C ATOM 1307 C ASN A 86 -3.031 -13.468 1.884 1.00 0.00 C ATOM 1308 O ASN A 86 -3.473 -14.515 2.371 1.00 0.00 O ATOM 1309 CB ASN A 86 -3.982 -11.252 2.535 1.00 0.00 C ATOM 1310 CG ASN A 86 -5.242 -11.808 3.193 1.00 0.00 C ATOM 1311 OD1 ASN A 86 -6.293 -11.046 3.332 1.00 0.00 O flip ATOM 1312 ND2 ASN A 86 -5.264 -12.967 3.608 1.00 0.00 N flip ATOM 0 H ASN A 86 -1.594 -10.646 2.094 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.813 -12.501 3.800 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.734 -10.281 2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.153 -11.097 1.470 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.443 -13.563 3.500 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.103 -13.331 4.060 1.00 0.00 H new ATOM 1319 N ASN A 87 -2.663 -13.355 0.605 1.00 0.00 N ATOM 1320 CA ASN A 87 -2.774 -14.491 -0.301 1.00 0.00 C ATOM 1321 C ASN A 87 -1.942 -15.652 0.224 1.00 0.00 C ATOM 1322 O ASN A 87 -2.344 -16.810 0.134 1.00 0.00 O ATOM 1323 CB ASN A 87 -2.280 -14.088 -1.692 1.00 0.00 C ATOM 1324 CG ASN A 87 -3.194 -13.020 -2.281 1.00 0.00 C ATOM 1325 OD1 ASN A 87 -4.320 -12.841 -1.816 1.00 0.00 O ATOM 1326 ND2 ASN A 87 -2.776 -12.296 -3.284 1.00 0.00 N ATOM 0 H ASN A 87 -2.293 -12.503 0.183 1.00 0.00 H new ATOM 0 HA ASN A 87 -3.817 -14.800 -0.365 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -1.259 -13.710 -1.629 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.258 -14.960 -2.346 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.383 -11.580 -3.684 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.843 -12.446 -3.667 1.00 0.00 H new ATOM 1333 N PHE A 88 -0.778 -15.325 0.775 1.00 0.00 N ATOM 1334 CA PHE A 88 0.110 -16.339 1.322 1.00 0.00 C ATOM 1335 C PHE A 88 -0.530 -17.056 2.505 1.00 0.00 C ATOM 1336 O PHE A 88 -0.467 -18.279 2.608 1.00 0.00 O ATOM 1337 CB PHE A 88 1.426 -15.698 1.766 1.00 0.00 C ATOM 1338 CG PHE A 88 2.386 -16.776 2.209 1.00 0.00 C ATOM 1339 CD1 PHE A 88 3.180 -17.438 1.266 1.00 0.00 C ATOM 1340 CD2 PHE A 88 2.482 -17.113 3.564 1.00 0.00 C ATOM 1341 CE1 PHE A 88 4.070 -18.437 1.677 1.00 0.00 C ATOM 1342 CE2 PHE A 88 3.373 -18.112 3.976 1.00 0.00 C ATOM 1343 CZ PHE A 88 4.166 -18.775 3.032 1.00 0.00 C ATOM 0 H PHE A 88 -0.430 -14.369 0.854 1.00 0.00 H new ATOM 0 HA PHE A 88 0.303 -17.072 0.539 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.859 -15.125 0.946 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.245 -14.999 2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.106 -17.178 0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.869 -16.603 4.292 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.683 -18.947 0.949 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.448 -18.371 5.022 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.852 -19.547 3.349 1.00 0.00 H new ATOM 1353 N PHE A 89 -1.124 -16.289 3.414 1.00 0.00 N ATOM 1354 CA PHE A 89 -1.743 -16.885 4.591 1.00 0.00 C ATOM 1355 C PHE A 89 -2.925 -17.778 4.221 1.00 0.00 C ATOM 1356 O PHE A 89 -2.990 -18.934 4.638 1.00 0.00 O ATOM 1357 CB PHE A 89 -2.219 -15.781 5.537 1.00 0.00 C ATOM 1358 CG PHE A 89 -2.740 -16.400 6.812 1.00 0.00 C ATOM 1359 CD1 PHE A 89 -1.854 -16.719 7.848 1.00 0.00 C ATOM 1360 CD2 PHE A 89 -4.110 -16.654 6.960 1.00 0.00 C ATOM 1361 CE1 PHE A 89 -2.337 -17.293 9.030 1.00 0.00 C ATOM 1362 CE2 PHE A 89 -4.592 -17.227 8.142 1.00 0.00 C ATOM 1363 CZ PHE A 89 -3.705 -17.547 9.177 1.00 0.00 C ATOM 0 H PHE A 89 -1.189 -15.273 3.361 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.993 -17.505 5.081 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.398 -15.100 5.760 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.002 -15.191 5.060 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.798 -16.522 7.735 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.794 -16.407 6.162 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.653 -17.540 9.829 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.648 -17.422 8.256 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.077 -17.990 10.089 1.00 0.00 H new ATOM 1373 N TRP A 90 -3.855 -17.244 3.430 1.00 0.00 N ATOM 1374 CA TRP A 90 -5.016 -18.022 3.013 1.00 0.00 C ATOM 1375 C TRP A 90 -4.632 -19.188 2.123 1.00 0.00 C ATOM 1376 O TRP A 90 -5.220 -20.267 2.196 1.00 0.00 O ATOM 1377 CB TRP A 90 -6.021 -17.153 2.275 1.00 0.00 C ATOM 1378 CG TRP A 90 -7.192 -18.012 1.951 1.00 0.00 C ATOM 1379 CD1 TRP A 90 -7.210 -18.901 0.944 1.00 0.00 C ATOM 1380 CD2 TRP A 90 -8.494 -18.094 2.599 1.00 0.00 C ATOM 1381 NE1 TRP A 90 -8.436 -19.533 0.921 1.00 0.00 N ATOM 1382 CE2 TRP A 90 -9.268 -19.067 1.921 1.00 0.00 C ATOM 1383 CE3 TRP A 90 -9.075 -17.426 3.691 1.00 0.00 C ATOM 1384 CZ2 TRP A 90 -10.572 -19.368 2.317 1.00 0.00 C ATOM 1385 CZ3 TRP A 90 -10.387 -17.727 4.091 1.00 0.00 C ATOM 1386 CH2 TRP A 90 -11.134 -18.696 3.406 1.00 0.00 C ATOM 0 H TRP A 90 -3.827 -16.290 3.071 1.00 0.00 H new ATOM 0 HA TRP A 90 -5.466 -18.412 3.926 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -6.324 -16.307 2.892 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -5.581 -16.744 1.366 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -6.395 -19.091 0.261 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -8.696 -20.255 0.249 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -8.509 -16.677 4.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -11.143 -20.115 1.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -10.824 -17.209 4.932 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -12.142 -18.923 3.720 1.00 0.00 H new ATOM 1397 N GLU A 91 -3.683 -18.935 1.239 1.00 0.00 N ATOM 1398 CA GLU A 91 -3.259 -19.934 0.273 1.00 0.00 C ATOM 1399 C GLU A 91 -1.915 -20.553 0.649 1.00 0.00 C ATOM 1400 O GLU A 91 -1.008 -19.864 1.107 1.00 0.00 O ATOM 1401 CB GLU A 91 -3.167 -19.241 -1.088 1.00 0.00 C ATOM 1402 CG GLU A 91 -3.562 -20.211 -2.207 1.00 0.00 C ATOM 1403 CD GLU A 91 -2.510 -21.307 -2.344 1.00 0.00 C ATOM 1404 OE1 GLU A 91 -1.433 -21.139 -1.796 1.00 0.00 O ATOM 1405 OE2 GLU A 91 -2.797 -22.298 -2.995 1.00 0.00 O ATOM 0 H GLU A 91 -3.190 -18.045 1.170 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.980 -20.751 0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.822 -18.370 -1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.152 -18.880 -1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.534 -20.654 -1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.661 -19.671 -3.149 1.00 0.00 H new ATOM 1412 N ASN A 92 -1.794 -21.862 0.440 1.00 0.00 N ATOM 1413 CA ASN A 92 -0.556 -22.569 0.754 1.00 0.00 C ATOM 1414 C ASN A 92 0.209 -22.900 -0.523 1.00 0.00 C ATOM 1415 O ASN A 92 -0.381 -23.316 -1.522 1.00 0.00 O ATOM 1416 CB ASN A 92 -0.871 -23.860 1.510 1.00 0.00 C ATOM 1417 CG ASN A 92 -1.605 -23.538 2.808 1.00 0.00 C ATOM 1418 OD1 ASN A 92 -2.596 -24.187 3.140 1.00 0.00 O ATOM 1419 ND2 ASN A 92 -1.175 -22.567 3.566 1.00 0.00 N ATOM 0 H ASN A 92 -2.533 -22.451 0.057 1.00 0.00 H new ATOM 0 HA ASN A 92 0.062 -21.923 1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.483 -24.515 0.889 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.052 -24.398 1.728 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -1.661 -22.345 4.435 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.353 -22.030 3.289 1.00 0.00 H new ATOM 1426 N SER A 93 1.524 -22.713 -0.486 1.00 0.00 N ATOM 1427 CA SER A 93 2.359 -22.995 -1.649 1.00 0.00 C ATOM 1428 C SER A 93 3.836 -22.852 -1.295 1.00 0.00 C ATOM 1429 O SER A 93 4.660 -23.166 -2.138 1.00 0.00 O ATOM 1430 CB SER A 93 2.009 -22.036 -2.787 1.00 0.00 C ATOM 1431 OG SER A 93 3.059 -22.044 -3.746 1.00 0.00 O ATOM 0 H SER A 93 2.032 -22.370 0.329 1.00 0.00 H new ATOM 0 HA SER A 93 2.172 -24.020 -1.968 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.071 -22.335 -3.255 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.864 -21.028 -2.398 1.00 0.00 H new ATOM 0 HG SER A 93 3.688 -22.766 -3.537 1.00 0.00 H new TER 1437 SER A 93 ATOM 1438 N GLY B 1 5.312 -7.492 16.495 1.00 0.00 N ATOM 1439 CA GLY B 1 6.078 -7.403 15.257 1.00 0.00 C ATOM 1440 C GLY B 1 6.601 -5.986 15.042 1.00 0.00 C ATOM 1441 O GLY B 1 7.244 -5.411 15.920 1.00 0.00 O ATOM 0 H1 GLY B 1 4.966 -8.465 16.620 1.00 0.00 H new ATOM 0 H2 GLY B 1 5.920 -7.234 17.299 1.00 0.00 H new ATOM 0 H3 GLY B 1 4.503 -6.840 16.450 1.00 0.00 H new ATOM 0 HA2 GLY B 1 6.913 -8.102 15.290 1.00 0.00 H new ATOM 0 HA3 GLY B 1 5.451 -7.695 14.415 1.00 0.00 H new ATOM 1445 N SER B 2 6.321 -5.430 13.867 1.00 0.00 N ATOM 1446 CA SER B 2 6.765 -4.077 13.538 1.00 0.00 C ATOM 1447 C SER B 2 5.581 -3.223 13.096 1.00 0.00 C ATOM 1448 O SER B 2 4.552 -3.749 12.673 1.00 0.00 O ATOM 1449 CB SER B 2 7.807 -4.127 12.424 1.00 0.00 C ATOM 1450 OG SER B 2 7.190 -4.573 11.226 1.00 0.00 O ATOM 0 H SER B 2 5.791 -5.892 13.128 1.00 0.00 H new ATOM 0 HA SER B 2 7.210 -3.631 14.427 1.00 0.00 H new ATOM 0 HB2 SER B 2 8.245 -3.140 12.276 1.00 0.00 H new ATOM 0 HB3 SER B 2 8.620 -4.799 12.700 1.00 0.00 H new ATOM 0 HG SER B 2 7.873 -4.923 10.617 1.00 0.00 H new ATOM 1456 N GLU B 3 5.722 -1.905 13.213 1.00 0.00 N ATOM 1457 CA GLU B 3 4.639 -1.002 12.838 1.00 0.00 C ATOM 1458 C GLU B 3 4.273 -1.115 11.364 1.00 0.00 C ATOM 1459 O GLU B 3 3.094 -1.040 11.008 1.00 0.00 O ATOM 1460 CB GLU B 3 5.056 0.443 13.123 1.00 0.00 C ATOM 1461 CG GLU B 3 5.204 0.648 14.627 1.00 0.00 C ATOM 1462 CD GLU B 3 5.568 2.099 14.924 1.00 0.00 C ATOM 1463 OE1 GLU B 3 5.848 2.823 13.983 1.00 0.00 O ATOM 1464 OE2 GLU B 3 5.560 2.466 16.088 1.00 0.00 O ATOM 0 H GLU B 3 6.563 -1.444 13.560 1.00 0.00 H new ATOM 0 HA GLU B 3 3.767 -1.284 13.429 1.00 0.00 H new ATOM 0 HB2 GLU B 3 5.998 0.666 12.621 1.00 0.00 H new ATOM 0 HB3 GLU B 3 4.312 1.132 12.724 1.00 0.00 H new ATOM 0 HG2 GLU B 3 4.273 0.388 15.131 1.00 0.00 H new ATOM 0 HG3 GLU B 3 5.975 -0.016 15.018 1.00 0.00 H new ATOM 1471 N LEU B 4 5.265 -1.286 10.498 1.00 0.00 N ATOM 1472 CA LEU B 4 4.964 -1.385 9.078 1.00 0.00 C ATOM 1473 C LEU B 4 4.115 -2.632 8.843 1.00 0.00 C ATOM 1474 O LEU B 4 3.133 -2.624 8.086 1.00 0.00 O ATOM 1475 CB LEU B 4 6.267 -1.529 8.296 1.00 0.00 C ATOM 1476 CG LEU B 4 6.058 -1.144 6.817 1.00 0.00 C ATOM 1477 CD1 LEU B 4 7.411 -0.965 6.117 1.00 0.00 C ATOM 1478 CD2 LEU B 4 5.216 -2.181 6.061 1.00 0.00 C ATOM 0 H LEU B 4 6.252 -1.357 10.743 1.00 0.00 H new ATOM 0 HA LEU B 4 4.430 -0.493 8.750 1.00 0.00 H new ATOM 0 HB2 LEU B 4 7.035 -0.894 8.738 1.00 0.00 H new ATOM 0 HB3 LEU B 4 6.626 -2.556 8.363 1.00 0.00 H new ATOM 0 HG LEU B 4 5.511 -0.201 6.805 1.00 0.00 H new ATOM 0 HD11 LEU B 4 7.248 -0.693 5.074 1.00 0.00 H new ATOM 0 HD12 LEU B 4 7.976 -0.176 6.613 1.00 0.00 H new ATOM 0 HD13 LEU B 4 7.972 -1.898 6.165 1.00 0.00 H new ATOM 0 HD21 LEU B 4 5.096 -1.866 5.024 1.00 0.00 H new ATOM 0 HD22 LEU B 4 5.717 -3.148 6.091 1.00 0.00 H new ATOM 0 HD23 LEU B 4 4.236 -2.266 6.530 1.00 0.00 H new ATOM 1490 N GLU B 5 4.507 -3.709 9.526 1.00 0.00 N ATOM 1491 CA GLU B 5 3.799 -4.972 9.416 1.00 0.00 C ATOM 1492 C GLU B 5 2.388 -4.802 9.948 1.00 0.00 C ATOM 1493 O GLU B 5 1.430 -5.310 9.373 1.00 0.00 O ATOM 1494 CB GLU B 5 4.539 -6.049 10.222 1.00 0.00 C ATOM 1495 CG GLU B 5 4.273 -7.436 9.628 1.00 0.00 C ATOM 1496 CD GLU B 5 2.825 -7.849 9.875 1.00 0.00 C ATOM 1497 OE1 GLU B 5 2.184 -7.226 10.703 1.00 0.00 O ATOM 1498 OE2 GLU B 5 2.382 -8.789 9.236 1.00 0.00 O ATOM 0 H GLU B 5 5.308 -3.726 10.157 1.00 0.00 H new ATOM 0 HA GLU B 5 3.755 -5.280 8.371 1.00 0.00 H new ATOM 0 HB2 GLU B 5 5.610 -5.844 10.218 1.00 0.00 H new ATOM 0 HB3 GLU B 5 4.213 -6.023 11.262 1.00 0.00 H new ATOM 0 HG2 GLU B 5 4.478 -7.426 8.557 1.00 0.00 H new ATOM 0 HG3 GLU B 5 4.948 -8.166 10.075 1.00 0.00 H new ATOM 1505 N THR B 6 2.271 -4.052 11.040 1.00 0.00 N ATOM 1506 CA THR B 6 0.969 -3.795 11.627 1.00 0.00 C ATOM 1507 C THR B 6 0.096 -3.078 10.615 1.00 0.00 C ATOM 1508 O THR B 6 -1.094 -3.366 10.484 1.00 0.00 O ATOM 1509 CB THR B 6 1.115 -2.936 12.886 1.00 0.00 C ATOM 1510 OG1 THR B 6 2.021 -3.563 13.781 1.00 0.00 O ATOM 1511 CG2 THR B 6 -0.249 -2.780 13.560 1.00 0.00 C ATOM 0 H THR B 6 3.054 -3.618 11.528 1.00 0.00 H new ATOM 0 HA THR B 6 0.508 -4.743 11.903 1.00 0.00 H new ATOM 0 HB THR B 6 1.496 -1.952 12.614 1.00 0.00 H new ATOM 0 HG1 THR B 6 2.928 -3.518 13.413 1.00 0.00 H new ATOM 0 HG21 THR B 6 -0.144 -2.168 14.456 1.00 0.00 H new ATOM 0 HG22 THR B 6 -0.942 -2.298 12.871 1.00 0.00 H new ATOM 0 HG23 THR B 6 -0.634 -3.762 13.834 1.00 0.00 H new ATOM 1519 N ALA B 7 0.706 -2.145 9.888 1.00 0.00 N ATOM 1520 CA ALA B 7 -0.028 -1.399 8.878 1.00 0.00 C ATOM 1521 C ALA B 7 -0.510 -2.339 7.782 1.00 0.00 C ATOM 1522 O ALA B 7 -1.667 -2.277 7.358 1.00 0.00 O ATOM 1523 CB ALA B 7 0.879 -0.329 8.268 1.00 0.00 C ATOM 0 H ALA B 7 1.690 -1.893 9.979 1.00 0.00 H new ATOM 0 HA ALA B 7 -0.890 -0.924 9.346 1.00 0.00 H new ATOM 0 HB1 ALA B 7 0.326 0.228 7.512 1.00 0.00 H new ATOM 0 HB2 ALA B 7 1.213 0.353 9.050 1.00 0.00 H new ATOM 0 HB3 ALA B 7 1.745 -0.805 7.808 1.00 0.00 H new ATOM 1529 N MET B 8 0.374 -3.238 7.348 1.00 0.00 N ATOM 1530 CA MET B 8 -0.001 -4.202 6.316 1.00 0.00 C ATOM 1531 C MET B 8 -1.184 -5.037 6.809 1.00 0.00 C ATOM 1532 O MET B 8 -2.157 -5.295 6.072 1.00 0.00 O ATOM 1533 CB MET B 8 1.209 -5.110 6.035 1.00 0.00 C ATOM 1534 CG MET B 8 2.332 -4.291 5.378 1.00 0.00 C ATOM 1535 SD MET B 8 3.763 -5.353 5.032 1.00 0.00 S ATOM 1536 CE MET B 8 3.074 -6.279 3.648 1.00 0.00 C ATOM 0 H MET B 8 1.333 -3.318 7.686 1.00 0.00 H new ATOM 0 HA MET B 8 -0.293 -3.687 5.401 1.00 0.00 H new ATOM 0 HB2 MET B 8 1.566 -5.554 6.964 1.00 0.00 H new ATOM 0 HB3 MET B 8 0.915 -5.931 5.382 1.00 0.00 H new ATOM 0 HG2 MET B 8 1.971 -3.842 4.453 1.00 0.00 H new ATOM 0 HG3 MET B 8 2.627 -3.473 6.035 1.00 0.00 H new ATOM 0 HE1 MET B 8 3.818 -6.983 3.275 1.00 0.00 H new ATOM 0 HE2 MET B 8 2.191 -6.825 3.979 1.00 0.00 H new ATOM 0 HE3 MET B 8 2.796 -5.589 2.851 1.00 0.00 H new ATOM 1546 N GLU B 9 -1.124 -5.409 8.084 1.00 0.00 N ATOM 1547 CA GLU B 9 -2.204 -6.169 8.682 1.00 0.00 C ATOM 1548 C GLU B 9 -3.467 -5.335 8.715 1.00 0.00 C ATOM 1549 O GLU B 9 -4.559 -5.855 8.521 1.00 0.00 O ATOM 1550 CB GLU B 9 -1.833 -6.605 10.104 1.00 0.00 C ATOM 1551 CG GLU B 9 -0.683 -7.617 10.056 1.00 0.00 C ATOM 1552 CD GLU B 9 -1.114 -8.871 9.304 1.00 0.00 C ATOM 1553 OE1 GLU B 9 -2.308 -9.064 9.147 1.00 0.00 O ATOM 1554 OE2 GLU B 9 -0.243 -9.620 8.895 1.00 0.00 O ATOM 0 H GLU B 9 -0.348 -5.198 8.712 1.00 0.00 H new ATOM 0 HA GLU B 9 -2.376 -7.059 8.077 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -1.541 -5.737 10.695 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -2.699 -7.049 10.595 1.00 0.00 H new ATOM 0 HG2 GLU B 9 0.183 -7.171 9.567 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -0.377 -7.879 11.069 1.00 0.00 H new ATOM 1561 N THR B 10 -3.321 -4.034 8.953 1.00 0.00 N ATOM 1562 CA THR B 10 -4.487 -3.171 8.984 1.00 0.00 C ATOM 1563 C THR B 10 -5.159 -3.142 7.622 1.00 0.00 C ATOM 1564 O THR B 10 -6.384 -3.222 7.527 1.00 0.00 O ATOM 1565 CB THR B 10 -4.097 -1.749 9.388 1.00 0.00 C ATOM 1566 OG1 THR B 10 -3.402 -1.784 10.627 1.00 0.00 O ATOM 1567 CG2 THR B 10 -5.361 -0.894 9.529 1.00 0.00 C ATOM 0 H THR B 10 -2.430 -3.568 9.123 1.00 0.00 H new ATOM 0 HA THR B 10 -5.183 -3.571 9.722 1.00 0.00 H new ATOM 0 HB THR B 10 -3.452 -1.316 8.624 1.00 0.00 H new ATOM 0 HG1 THR B 10 -2.535 -2.224 10.503 1.00 0.00 H new ATOM 0 HG21 THR B 10 -5.084 0.120 9.817 1.00 0.00 H new ATOM 0 HG22 THR B 10 -5.891 -0.869 8.577 1.00 0.00 H new ATOM 0 HG23 THR B 10 -6.008 -1.324 10.293 1.00 0.00 H new ATOM 1575 N LEU B 11 -4.358 -3.034 6.557 1.00 0.00 N ATOM 1576 CA LEU B 11 -4.944 -3.005 5.225 1.00 0.00 C ATOM 1577 C LEU B 11 -5.675 -4.315 4.975 1.00 0.00 C ATOM 1578 O LEU B 11 -6.804 -4.339 4.459 1.00 0.00 O ATOM 1579 CB LEU B 11 -3.856 -2.833 4.151 1.00 0.00 C ATOM 1580 CG LEU B 11 -2.986 -1.594 4.424 1.00 0.00 C ATOM 1581 CD1 LEU B 11 -2.026 -1.389 3.250 1.00 0.00 C ATOM 1582 CD2 LEU B 11 -3.841 -0.333 4.593 1.00 0.00 C ATOM 0 H LEU B 11 -3.341 -2.968 6.591 1.00 0.00 H new ATOM 0 HA LEU B 11 -5.633 -2.162 5.167 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -3.226 -3.722 4.124 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -4.323 -2.742 3.170 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.436 -1.762 5.350 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.406 -0.512 3.436 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.390 -2.268 3.143 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.598 -1.241 2.334 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -3.193 0.523 4.784 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -4.415 -0.158 3.683 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -4.524 -0.466 5.432 1.00 0.00 H new ATOM 1594 N ILE B 12 -5.038 -5.411 5.382 1.00 0.00 N ATOM 1595 CA ILE B 12 -5.664 -6.716 5.219 1.00 0.00 C ATOM 1596 C ILE B 12 -6.965 -6.812 6.008 1.00 0.00 C ATOM 1597 O ILE B 12 -7.977 -7.298 5.502 1.00 0.00 O ATOM 1598 CB ILE B 12 -4.705 -7.828 5.654 1.00 0.00 C ATOM 1599 CG1 ILE B 12 -3.472 -7.833 4.740 1.00 0.00 C ATOM 1600 CG2 ILE B 12 -5.417 -9.178 5.569 1.00 0.00 C ATOM 1601 CD1 ILE B 12 -2.416 -8.789 5.298 1.00 0.00 C ATOM 0 H ILE B 12 -4.115 -5.422 5.815 1.00 0.00 H new ATOM 0 HA ILE B 12 -5.899 -6.840 4.162 1.00 0.00 H new ATOM 0 HB ILE B 12 -4.388 -7.652 6.682 1.00 0.00 H new ATOM 0 HG12 ILE B 12 -3.756 -8.138 3.733 1.00 0.00 H new ATOM 0 HG13 ILE B 12 -3.060 -6.827 4.664 1.00 0.00 H new ATOM 0 HG21 ILE B 12 -4.734 -9.969 5.879 1.00 0.00 H new ATOM 0 HG22 ILE B 12 -6.287 -9.172 6.225 1.00 0.00 H new ATOM 0 HG23 ILE B 12 -5.738 -9.356 4.543 1.00 0.00 H new ATOM 0 HD11 ILE B 12 -1.543 -8.788 4.645 1.00 0.00 H new ATOM 0 HD12 ILE B 12 -2.123 -8.464 6.296 1.00 0.00 H new ATOM 0 HD13 ILE B 12 -2.829 -9.796 5.351 1.00 0.00 H new ATOM 1613 N ASN B 13 -6.924 -6.364 7.258 1.00 0.00 N ATOM 1614 CA ASN B 13 -8.095 -6.424 8.119 1.00 0.00 C ATOM 1615 C ASN B 13 -9.265 -5.598 7.587 1.00 0.00 C ATOM 1616 O ASN B 13 -10.409 -6.041 7.658 1.00 0.00 O ATOM 1617 CB ASN B 13 -7.721 -5.932 9.517 1.00 0.00 C ATOM 1618 CG ASN B 13 -6.709 -6.882 10.148 1.00 0.00 C ATOM 1619 OD1 ASN B 13 -6.557 -8.017 9.699 1.00 0.00 O ATOM 1620 ND2 ASN B 13 -5.999 -6.482 11.168 1.00 0.00 N ATOM 0 H ASN B 13 -6.096 -5.958 7.694 1.00 0.00 H new ATOM 0 HA ASN B 13 -8.421 -7.464 8.148 1.00 0.00 H new ATOM 0 HB2 ASN B 13 -7.302 -4.927 9.458 1.00 0.00 H new ATOM 0 HB3 ASN B 13 -8.613 -5.870 10.141 1.00 0.00 H new ATOM 0 HD21 ASN B 13 -5.318 -7.111 11.593 1.00 0.00 H new ATOM 0 HD22 ASN B 13 -6.126 -5.541 11.540 1.00 0.00 H new ATOM 1627 N VAL B 14 -8.996 -4.399 7.064 1.00 0.00 N ATOM 1628 CA VAL B 14 -10.099 -3.578 6.556 1.00 0.00 C ATOM 1629 C VAL B 14 -10.646 -4.131 5.230 1.00 0.00 C ATOM 1630 O VAL B 14 -11.884 -4.221 5.038 1.00 0.00 O ATOM 1631 CB VAL B 14 -9.705 -2.082 6.439 1.00 0.00 C ATOM 1632 CG1 VAL B 14 -9.164 -1.587 7.789 1.00 0.00 C ATOM 1633 CG2 VAL B 14 -8.642 -1.845 5.356 1.00 0.00 C ATOM 0 H VAL B 14 -8.066 -3.988 6.982 1.00 0.00 H new ATOM 0 HA VAL B 14 -10.905 -3.633 7.288 1.00 0.00 H new ATOM 0 HB VAL B 14 -10.601 -1.529 6.157 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -8.887 -0.536 7.707 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -9.933 -1.701 8.553 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -8.287 -2.172 8.066 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -8.398 -0.783 5.311 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -7.744 -2.414 5.597 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -9.028 -2.170 4.390 1.00 0.00 H new ATOM 1643 N PHE B 15 -9.750 -4.572 4.332 1.00 0.00 N ATOM 1644 CA PHE B 15 -10.229 -5.156 3.088 1.00 0.00 C ATOM 1645 C PHE B 15 -11.089 -6.364 3.385 1.00 0.00 C ATOM 1646 O PHE B 15 -12.197 -6.501 2.869 1.00 0.00 O ATOM 1647 CB PHE B 15 -9.065 -5.568 2.189 1.00 0.00 C ATOM 1648 CG PHE B 15 -9.635 -6.182 0.937 1.00 0.00 C ATOM 1649 CD1 PHE B 15 -10.212 -5.379 -0.048 1.00 0.00 C ATOM 1650 CD2 PHE B 15 -9.595 -7.573 0.773 1.00 0.00 C ATOM 1651 CE1 PHE B 15 -10.753 -5.967 -1.196 1.00 0.00 C ATOM 1652 CE2 PHE B 15 -10.131 -8.159 -0.377 1.00 0.00 C ATOM 1653 CZ PHE B 15 -10.712 -7.355 -1.362 1.00 0.00 C ATOM 0 H PHE B 15 -8.737 -4.535 4.442 1.00 0.00 H new ATOM 0 HA PHE B 15 -10.819 -4.403 2.566 1.00 0.00 H new ATOM 0 HB2 PHE B 15 -8.450 -4.703 1.942 1.00 0.00 H new ATOM 0 HB3 PHE B 15 -8.421 -6.281 2.703 1.00 0.00 H new ATOM 0 HD1 PHE B 15 -10.241 -4.307 0.076 1.00 0.00 H new ATOM 0 HD2 PHE B 15 -9.149 -8.193 1.537 1.00 0.00 H new ATOM 0 HE1 PHE B 15 -11.204 -5.347 -1.957 1.00 0.00 H new ATOM 0 HE2 PHE B 15 -10.096 -9.231 -0.504 1.00 0.00 H new ATOM 0 HZ PHE B 15 -11.129 -7.805 -2.251 1.00 0.00 H new ATOM 1663 N HIS B 16 -10.579 -7.219 4.255 1.00 0.00 N ATOM 1664 CA HIS B 16 -11.313 -8.398 4.661 1.00 0.00 C ATOM 1665 C HIS B 16 -12.576 -7.993 5.368 1.00 0.00 C ATOM 1666 O HIS B 16 -13.601 -8.661 5.251 1.00 0.00 O ATOM 1667 CB HIS B 16 -10.456 -9.286 5.564 1.00 0.00 C ATOM 1668 CG HIS B 16 -11.210 -10.545 5.890 1.00 0.00 C ATOM 1669 ND1 HIS B 16 -11.526 -11.489 4.924 1.00 0.00 N ATOM 1670 CD2 HIS B 16 -11.718 -11.032 7.069 1.00 0.00 C ATOM 1671 CE1 HIS B 16 -12.194 -12.485 5.534 1.00 0.00 C ATOM 1672 NE2 HIS B 16 -12.338 -12.257 6.842 1.00 0.00 N ATOM 0 H HIS B 16 -9.662 -7.117 4.691 1.00 0.00 H new ATOM 0 HA HIS B 16 -11.572 -8.972 3.771 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -9.517 -9.530 5.067 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -10.202 -8.754 6.481 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -11.647 -10.539 8.027 1.00 0.00 H new ATOM 0 HE1 HIS B 16 -12.568 -13.362 5.027 1.00 0.00 H new ATOM 0 HE2 HIS B 16 -12.803 -12.853 7.527 1.00 0.00 H new ATOM 1681 N ALA B 17 -12.506 -6.909 6.121 1.00 0.00 N ATOM 1682 CA ALA B 17 -13.676 -6.487 6.840 1.00 0.00 C ATOM 1683 C ALA B 17 -14.810 -6.264 5.875 1.00 0.00 C ATOM 1684 O ALA B 17 -15.889 -6.798 6.055 1.00 0.00 O ATOM 1685 CB ALA B 17 -13.407 -5.155 7.550 1.00 0.00 C ATOM 0 H ALA B 17 -11.677 -6.327 6.244 1.00 0.00 H new ATOM 0 HA ALA B 17 -13.929 -7.260 7.565 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -14.300 -4.845 8.092 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -12.581 -5.277 8.251 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -13.148 -4.395 6.812 1.00 0.00 H new ATOM 1691 N HIS B 18 -14.571 -5.488 4.836 1.00 0.00 N ATOM 1692 CA HIS B 18 -15.652 -5.244 3.876 1.00 0.00 C ATOM 1693 C HIS B 18 -15.890 -6.381 2.875 1.00 0.00 C ATOM 1694 O HIS B 18 -17.029 -6.839 2.729 1.00 0.00 O ATOM 1695 CB HIS B 18 -15.433 -3.910 3.181 1.00 0.00 C ATOM 1696 CG HIS B 18 -15.813 -2.821 4.150 1.00 0.00 C ATOM 1697 ND1 HIS B 18 -15.059 -2.538 5.279 1.00 0.00 N ATOM 1698 CD2 HIS B 18 -16.883 -1.965 4.191 1.00 0.00 C ATOM 1699 CE1 HIS B 18 -15.684 -1.550 5.946 1.00 0.00 C ATOM 1700 NE2 HIS B 18 -16.801 -1.164 5.326 1.00 0.00 N ATOM 0 H HIS B 18 -13.683 -5.030 4.631 1.00 0.00 H new ATOM 0 HA HIS B 18 -16.575 -5.206 4.455 1.00 0.00 H new ATOM 0 HB2 HIS B 18 -14.392 -3.804 2.876 1.00 0.00 H new ATOM 0 HB3 HIS B 18 -16.038 -3.846 2.277 1.00 0.00 H new ATOM 0 HD1 HIS B 18 -14.190 -2.995 5.554 1.00 0.00 H new ATOM 0 HD2 HIS B 18 -17.671 -1.919 3.454 1.00 0.00 H new ATOM 0 HE1 HIS B 18 -15.325 -1.122 6.870 1.00 0.00 H new ATOM 1709 N SER B 19 -14.846 -6.839 2.171 1.00 0.00 N ATOM 1710 CA SER B 19 -15.066 -7.909 1.199 1.00 0.00 C ATOM 1711 C SER B 19 -15.659 -9.121 1.910 1.00 0.00 C ATOM 1712 O SER B 19 -16.578 -9.762 1.398 1.00 0.00 O ATOM 1713 CB SER B 19 -13.766 -8.312 0.486 1.00 0.00 C ATOM 1714 OG SER B 19 -14.062 -9.245 -0.575 1.00 0.00 O ATOM 0 H SER B 19 -13.886 -6.503 2.251 1.00 0.00 H new ATOM 0 HA SER B 19 -15.757 -7.539 0.441 1.00 0.00 H new ATOM 0 HB2 SER B 19 -13.274 -7.428 0.080 1.00 0.00 H new ATOM 0 HB3 SER B 19 -13.074 -8.763 1.198 1.00 0.00 H new ATOM 0 HG SER B 19 -15.032 -9.369 -0.640 1.00 0.00 H new ATOM 1720 N GLY B 20 -15.129 -9.403 3.112 1.00 0.00 N ATOM 1721 CA GLY B 20 -15.604 -10.518 3.935 1.00 0.00 C ATOM 1722 C GLY B 20 -16.979 -10.255 4.533 1.00 0.00 C ATOM 1723 O GLY B 20 -17.840 -11.136 4.531 1.00 0.00 O ATOM 0 H GLY B 20 -14.369 -8.869 3.533 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -15.642 -11.423 3.329 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -14.891 -10.702 4.738 1.00 0.00 H new ATOM 1727 N LYS B 21 -17.188 -9.048 5.053 1.00 0.00 N ATOM 1728 CA LYS B 21 -18.485 -8.723 5.654 1.00 0.00 C ATOM 1729 C LYS B 21 -19.628 -8.876 4.664 1.00 0.00 C ATOM 1730 O LYS B 21 -20.676 -9.424 5.002 1.00 0.00 O ATOM 1731 CB LYS B 21 -18.473 -7.284 6.163 1.00 0.00 C ATOM 1732 CG LYS B 21 -19.812 -6.921 6.792 1.00 0.00 C ATOM 1733 CD LYS B 21 -19.734 -5.470 7.264 1.00 0.00 C ATOM 1734 CE LYS B 21 -19.637 -4.534 6.051 1.00 0.00 C ATOM 1735 NZ LYS B 21 -18.210 -4.170 5.821 1.00 0.00 N ATOM 0 H LYS B 21 -16.500 -8.296 5.073 1.00 0.00 H new ATOM 0 HA LYS B 21 -18.643 -9.423 6.475 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -17.676 -7.160 6.896 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -18.257 -6.604 5.339 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -20.618 -7.044 6.069 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -20.031 -7.583 7.630 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -20.615 -5.223 7.856 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -18.867 -5.334 7.910 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -20.046 -5.023 5.167 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -20.230 -3.636 6.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -18.018 -4.146 4.799 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -18.020 -3.233 6.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -17.594 -4.876 6.273 1.00 0.00 H new ATOM 1749 N GLU B 22 -19.437 -8.386 3.444 1.00 0.00 N ATOM 1750 CA GLU B 22 -20.491 -8.485 2.437 1.00 0.00 C ATOM 1751 C GLU B 22 -19.925 -8.919 1.093 1.00 0.00 C ATOM 1752 O GLU B 22 -18.855 -8.465 0.697 1.00 0.00 O ATOM 1753 CB GLU B 22 -21.192 -7.133 2.296 1.00 0.00 C ATOM 1754 CG GLU B 22 -22.395 -7.274 1.362 1.00 0.00 C ATOM 1755 CD GLU B 22 -23.047 -5.913 1.148 1.00 0.00 C ATOM 1756 OE1 GLU B 22 -22.534 -4.942 1.680 1.00 0.00 O ATOM 1757 OE2 GLU B 22 -24.050 -5.861 0.455 1.00 0.00 O ATOM 0 H GLU B 22 -18.582 -7.926 3.131 1.00 0.00 H new ATOM 0 HA GLU B 22 -21.209 -9.239 2.761 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -21.517 -6.777 3.273 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -20.498 -6.391 1.902 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -22.077 -7.689 0.406 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -23.117 -7.970 1.788 1.00 0.00 H new ATOM 1764 N GLY B 23 -20.652 -9.779 0.382 1.00 0.00 N ATOM 1765 CA GLY B 23 -20.206 -10.226 -0.936 1.00 0.00 C ATOM 1766 C GLY B 23 -19.100 -11.264 -0.825 1.00 0.00 C ATOM 1767 O GLY B 23 -18.881 -11.841 0.241 1.00 0.00 O ATOM 0 H GLY B 23 -21.540 -10.175 0.690 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -21.049 -10.648 -1.483 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -19.849 -9.371 -1.510 1.00 0.00 H new ATOM 1771 N ASP B 24 -18.383 -11.479 -1.926 1.00 0.00 N ATOM 1772 CA ASP B 24 -17.281 -12.429 -1.921 1.00 0.00 C ATOM 1773 C ASP B 24 -16.172 -11.888 -1.031 1.00 0.00 C ATOM 1774 O ASP B 24 -15.933 -10.678 -0.986 1.00 0.00 O ATOM 1775 CB ASP B 24 -16.757 -12.655 -3.339 1.00 0.00 C ATOM 1776 CG ASP B 24 -17.822 -13.342 -4.186 1.00 0.00 C ATOM 1777 OD1 ASP B 24 -18.785 -13.827 -3.615 1.00 0.00 O ATOM 1778 OD2 ASP B 24 -17.661 -13.371 -5.395 1.00 0.00 O ATOM 0 H ASP B 24 -18.544 -11.014 -2.819 1.00 0.00 H new ATOM 0 HA ASP B 24 -17.631 -13.387 -1.536 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -16.481 -11.702 -3.790 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -15.855 -13.266 -3.309 1.00 0.00 H new ATOM 1783 N LYS B 25 -15.530 -12.780 -0.293 1.00 0.00 N ATOM 1784 CA LYS B 25 -14.482 -12.378 0.632 1.00 0.00 C ATOM 1785 C LYS B 25 -13.319 -11.690 -0.078 1.00 0.00 C ATOM 1786 O LYS B 25 -12.651 -10.839 0.501 1.00 0.00 O ATOM 1787 CB LYS B 25 -13.958 -13.587 1.409 1.00 0.00 C ATOM 1788 CG LYS B 25 -15.122 -14.263 2.175 1.00 0.00 C ATOM 1789 CD LYS B 25 -14.569 -15.322 3.136 1.00 0.00 C ATOM 1790 CE LYS B 25 -13.913 -16.461 2.347 1.00 0.00 C ATOM 1791 NZ LYS B 25 -14.067 -17.736 3.104 1.00 0.00 N ATOM 0 H LYS B 25 -15.715 -13.783 -0.316 1.00 0.00 H new ATOM 0 HA LYS B 25 -14.928 -11.662 1.322 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -13.499 -14.300 0.724 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -13.184 -13.273 2.109 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -15.686 -13.514 2.731 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -15.813 -14.725 1.470 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -13.841 -14.869 3.808 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -15.374 -15.716 3.757 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -14.374 -16.550 1.363 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -12.857 -16.246 2.185 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -13.319 -18.401 2.820 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -13.992 -17.546 4.124 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -14.997 -18.152 2.897 1.00 0.00 H new ATOM 1805 N TYR B 26 -13.047 -12.091 -1.311 1.00 0.00 N ATOM 1806 CA TYR B 26 -11.923 -11.523 -2.059 1.00 0.00 C ATOM 1807 C TYR B 26 -12.367 -10.582 -3.175 1.00 0.00 C ATOM 1808 O TYR B 26 -11.584 -10.303 -4.081 1.00 0.00 O ATOM 1809 CB TYR B 26 -11.084 -12.651 -2.657 1.00 0.00 C ATOM 1810 CG TYR B 26 -10.534 -13.501 -1.540 1.00 0.00 C ATOM 1811 CD1 TYR B 26 -9.391 -13.086 -0.849 1.00 0.00 C ATOM 1812 CD2 TYR B 26 -11.167 -14.700 -1.193 1.00 0.00 C ATOM 1813 CE1 TYR B 26 -8.879 -13.869 0.190 1.00 0.00 C ATOM 1814 CE2 TYR B 26 -10.656 -15.483 -0.151 1.00 0.00 C ATOM 1815 CZ TYR B 26 -9.513 -15.067 0.540 1.00 0.00 C ATOM 1816 OH TYR B 26 -9.010 -15.835 1.566 1.00 0.00 O ATOM 0 H TYR B 26 -13.580 -12.800 -1.815 1.00 0.00 H new ATOM 0 HA TYR B 26 -11.336 -10.936 -1.353 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -11.693 -13.258 -3.327 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -10.269 -12.239 -3.252 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -8.904 -12.160 -1.118 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -12.048 -15.021 -1.728 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.995 -13.550 0.722 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -11.144 -16.408 0.119 1.00 0.00 H new ATOM 0 HH TYR B 26 -8.740 -16.710 1.217 1.00 0.00 H new ATOM 1826 N LYS B 27 -13.599 -10.069 -3.125 1.00 0.00 N ATOM 1827 CA LYS B 27 -14.027 -9.144 -4.182 1.00 0.00 C ATOM 1828 C LYS B 27 -14.791 -7.993 -3.553 1.00 0.00 C ATOM 1829 O LYS B 27 -15.584 -8.201 -2.635 1.00 0.00 O ATOM 1830 CB LYS B 27 -14.907 -9.845 -5.230 1.00 0.00 C ATOM 1831 CG LYS B 27 -14.841 -9.091 -6.561 1.00 0.00 C ATOM 1832 CD LYS B 27 -13.531 -9.462 -7.296 1.00 0.00 C ATOM 1833 CE LYS B 27 -13.574 -8.959 -8.733 1.00 0.00 C ATOM 1834 NZ LYS B 27 -12.462 -9.580 -9.507 1.00 0.00 N ATOM 0 H LYS B 27 -14.291 -10.264 -2.401 1.00 0.00 H new ATOM 0 HA LYS B 27 -13.139 -8.773 -4.694 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -14.572 -10.873 -5.368 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -15.938 -9.890 -4.879 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -15.702 -9.345 -7.179 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -14.881 -8.016 -6.385 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -12.678 -9.027 -6.776 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -13.393 -10.543 -7.285 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -14.532 -9.208 -9.189 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -13.484 -7.873 -8.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -12.339 -9.072 -10.406 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -11.582 -9.526 -8.955 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -12.688 -10.576 -9.701 1.00 0.00 H new ATOM 1848 N LEU B 28 -14.537 -6.779 -4.021 1.00 0.00 N ATOM 1849 CA LEU B 28 -15.206 -5.617 -3.451 1.00 0.00 C ATOM 1850 C LEU B 28 -16.140 -5.003 -4.506 1.00 0.00 C ATOM 1851 O LEU B 28 -15.712 -4.706 -5.622 1.00 0.00 O ATOM 1852 CB LEU B 28 -14.101 -4.640 -3.031 1.00 0.00 C ATOM 1853 CG LEU B 28 -14.559 -3.624 -1.958 1.00 0.00 C ATOM 1854 CD1 LEU B 28 -14.977 -4.328 -0.644 1.00 0.00 C ATOM 1855 CD2 LEU B 28 -13.372 -2.691 -1.636 1.00 0.00 C ATOM 0 H LEU B 28 -13.886 -6.574 -4.779 1.00 0.00 H new ATOM 0 HA LEU B 28 -15.820 -5.874 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -13.252 -5.206 -2.647 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -13.752 -4.098 -3.910 1.00 0.00 H new ATOM 0 HG LEU B 28 -15.416 -3.077 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -15.292 -3.581 0.085 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -15.803 -5.011 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -14.131 -4.888 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -13.674 -1.966 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -12.537 -3.281 -1.259 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -13.066 -2.166 -2.541 1.00 0.00 H new ATOM 1867 N SER B 29 -17.412 -4.828 -4.153 1.00 0.00 N ATOM 1868 CA SER B 29 -18.402 -4.265 -5.077 1.00 0.00 C ATOM 1869 C SER B 29 -18.608 -2.774 -4.813 1.00 0.00 C ATOM 1870 O SER B 29 -18.136 -2.248 -3.810 1.00 0.00 O ATOM 1871 CB SER B 29 -19.725 -5.018 -4.960 1.00 0.00 C ATOM 1872 OG SER B 29 -20.298 -4.764 -3.693 1.00 0.00 O ATOM 0 H SER B 29 -17.784 -5.067 -3.234 1.00 0.00 H new ATOM 0 HA SER B 29 -18.025 -4.379 -6.093 1.00 0.00 H new ATOM 0 HB2 SER B 29 -20.407 -4.703 -5.750 1.00 0.00 H new ATOM 0 HB3 SER B 29 -19.560 -6.088 -5.089 1.00 0.00 H new ATOM 0 HG SER B 29 -20.229 -5.567 -3.136 1.00 0.00 H new ATOM 1878 N LYS B 30 -19.284 -2.089 -5.739 1.00 0.00 N ATOM 1879 CA LYS B 30 -19.497 -0.646 -5.600 1.00 0.00 C ATOM 1880 C LYS B 30 -20.116 -0.282 -4.263 1.00 0.00 C ATOM 1881 O LYS B 30 -19.641 0.626 -3.563 1.00 0.00 O ATOM 1882 CB LYS B 30 -20.510 -0.199 -6.649 1.00 0.00 C ATOM 1883 CG LYS B 30 -20.695 1.322 -6.586 1.00 0.00 C ATOM 1884 CD LYS B 30 -21.822 1.717 -7.537 1.00 0.00 C ATOM 1885 CE LYS B 30 -23.149 1.159 -6.997 1.00 0.00 C ATOM 1886 NZ LYS B 30 -24.259 2.083 -7.367 1.00 0.00 N ATOM 0 H LYS B 30 -19.687 -2.502 -6.580 1.00 0.00 H new ATOM 0 HA LYS B 30 -18.522 -0.170 -5.704 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -20.170 -0.491 -7.642 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -21.465 -0.697 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -20.933 1.632 -5.568 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -19.770 1.827 -6.865 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -21.878 2.802 -7.625 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -21.627 1.326 -8.535 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -23.334 0.167 -7.409 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -23.097 1.050 -5.914 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -25.158 1.708 -7.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -24.082 3.021 -6.954 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -24.312 2.165 -8.402 1.00 0.00 H new ATOM 1900 N LYS B 31 -21.178 -0.978 -3.914 1.00 0.00 N ATOM 1901 CA LYS B 31 -21.856 -0.690 -2.675 1.00 0.00 C ATOM 1902 C LYS B 31 -20.921 -0.915 -1.499 1.00 0.00 C ATOM 1903 O LYS B 31 -20.829 -0.084 -0.597 1.00 0.00 O ATOM 1904 CB LYS B 31 -23.077 -1.594 -2.564 1.00 0.00 C ATOM 1905 CG LYS B 31 -22.602 -3.034 -2.420 1.00 0.00 C ATOM 1906 CD LYS B 31 -23.789 -3.962 -2.472 1.00 0.00 C ATOM 1907 CE LYS B 31 -23.357 -5.386 -2.117 1.00 0.00 C ATOM 1908 NZ LYS B 31 -22.709 -6.018 -3.302 1.00 0.00 N ATOM 0 H LYS B 31 -21.583 -1.736 -4.464 1.00 0.00 H new ATOM 0 HA LYS B 31 -22.171 0.353 -2.661 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -23.683 -1.308 -1.705 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -23.707 -1.490 -3.447 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -21.901 -3.278 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -22.069 -3.160 -1.477 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -24.557 -3.622 -1.777 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -24.231 -3.945 -3.468 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -22.664 -5.368 -1.276 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -24.221 -5.973 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -22.266 -6.915 -3.018 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -23.426 -6.202 -4.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -21.983 -5.378 -3.683 1.00 0.00 H new ATOM 1922 N GLU B 32 -20.249 -2.061 -1.504 1.00 0.00 N ATOM 1923 CA GLU B 32 -19.347 -2.387 -0.404 1.00 0.00 C ATOM 1924 C GLU B 32 -18.189 -1.388 -0.296 1.00 0.00 C ATOM 1925 O GLU B 32 -17.943 -0.849 0.785 1.00 0.00 O ATOM 1926 CB GLU B 32 -18.736 -3.781 -0.618 1.00 0.00 C ATOM 1927 CG GLU B 32 -19.833 -4.847 -0.633 1.00 0.00 C ATOM 1928 CD GLU B 32 -19.237 -6.251 -0.768 1.00 0.00 C ATOM 1929 OE1 GLU B 32 -18.023 -6.372 -0.872 1.00 0.00 O ATOM 1930 OE2 GLU B 32 -20.013 -7.190 -0.756 1.00 0.00 O ATOM 0 H GLU B 32 -20.308 -2.766 -2.239 1.00 0.00 H new ATOM 0 HA GLU B 32 -19.941 -2.351 0.509 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -18.185 -3.803 -1.558 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -18.021 -3.997 0.175 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -20.418 -4.784 0.285 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -20.517 -4.658 -1.461 1.00 0.00 H new ATOM 1937 N LEU B 33 -17.489 -1.099 -1.405 1.00 0.00 N ATOM 1938 CA LEU B 33 -16.379 -0.154 -1.307 1.00 0.00 C ATOM 1939 C LEU B 33 -16.881 1.184 -0.853 1.00 0.00 C ATOM 1940 O LEU B 33 -16.225 1.866 -0.065 1.00 0.00 O ATOM 1941 CB LEU B 33 -15.558 -0.008 -2.599 1.00 0.00 C ATOM 1942 CG LEU B 33 -16.442 0.240 -3.840 1.00 0.00 C ATOM 1943 CD1 LEU B 33 -16.434 1.734 -4.222 1.00 0.00 C ATOM 1944 CD2 LEU B 33 -15.881 -0.589 -5.020 1.00 0.00 C ATOM 0 H LEU B 33 -17.663 -1.486 -2.333 1.00 0.00 H new ATOM 0 HA LEU B 33 -15.694 -0.570 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -14.855 0.818 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -14.967 -0.911 -2.753 1.00 0.00 H new ATOM 0 HG LEU B 33 -17.466 -0.057 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -17.063 1.889 -5.099 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -16.819 2.324 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -15.414 2.047 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -16.496 -0.424 -5.905 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -14.856 -0.280 -5.227 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -15.895 -1.648 -4.760 1.00 0.00 H new ATOM 1956 N LYS B 34 -18.057 1.562 -1.302 1.00 0.00 N ATOM 1957 CA LYS B 34 -18.577 2.823 -0.856 1.00 0.00 C ATOM 1958 C LYS B 34 -18.614 2.807 0.665 1.00 0.00 C ATOM 1959 O LYS B 34 -18.350 3.820 1.308 1.00 0.00 O ATOM 1960 CB LYS B 34 -19.986 3.057 -1.413 1.00 0.00 C ATOM 1961 CG LYS B 34 -20.489 4.455 -1.022 1.00 0.00 C ATOM 1962 CD LYS B 34 -19.822 5.521 -1.903 1.00 0.00 C ATOM 1963 CE LYS B 34 -20.439 6.897 -1.629 1.00 0.00 C ATOM 1964 NZ LYS B 34 -19.610 7.619 -0.624 1.00 0.00 N ATOM 0 H LYS B 34 -18.646 1.037 -1.948 1.00 0.00 H new ATOM 0 HA LYS B 34 -17.939 3.631 -1.213 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -19.977 2.957 -2.498 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -20.667 2.298 -1.029 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -21.572 4.505 -1.134 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -20.268 4.649 0.028 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -18.751 5.549 -1.704 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -19.945 5.262 -2.955 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -20.495 7.473 -2.552 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -21.459 6.784 -1.262 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -19.552 8.625 -0.881 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -20.045 7.526 0.316 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -18.654 7.211 -0.605 1.00 0.00 H new ATOM 1978 N GLU B 35 -18.926 1.643 1.245 1.00 0.00 N ATOM 1979 CA GLU B 35 -18.967 1.533 2.693 1.00 0.00 C ATOM 1980 C GLU B 35 -17.572 1.518 3.326 1.00 0.00 C ATOM 1981 O GLU B 35 -17.370 2.090 4.397 1.00 0.00 O ATOM 1982 CB GLU B 35 -19.730 0.268 3.097 1.00 0.00 C ATOM 1983 CG GLU B 35 -21.192 0.398 2.670 1.00 0.00 C ATOM 1984 CD GLU B 35 -21.978 -0.829 3.124 1.00 0.00 C ATOM 1985 OE1 GLU B 35 -21.353 -1.771 3.581 1.00 0.00 O ATOM 1986 OE2 GLU B 35 -23.192 -0.806 3.007 1.00 0.00 O ATOM 0 H GLU B 35 -19.148 0.785 0.740 1.00 0.00 H new ATOM 0 HA GLU B 35 -19.481 2.419 3.066 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -19.279 -0.607 2.628 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -19.666 0.120 4.175 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -21.627 1.299 3.102 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -21.256 0.501 1.587 1.00 0.00 H new ATOM 1993 N LEU B 36 -16.620 0.821 2.693 1.00 0.00 N ATOM 1994 CA LEU B 36 -15.280 0.719 3.279 1.00 0.00 C ATOM 1995 C LEU B 36 -14.582 2.082 3.313 1.00 0.00 C ATOM 1996 O LEU B 36 -14.009 2.459 4.335 1.00 0.00 O ATOM 1997 CB LEU B 36 -14.428 -0.268 2.461 1.00 0.00 C ATOM 1998 CG LEU B 36 -13.215 -0.781 3.279 1.00 0.00 C ATOM 1999 CD1 LEU B 36 -12.451 -1.832 2.460 1.00 0.00 C ATOM 2000 CD2 LEU B 36 -12.276 0.368 3.648 1.00 0.00 C ATOM 0 H LEU B 36 -16.745 0.335 1.805 1.00 0.00 H new ATOM 0 HA LEU B 36 -15.387 0.361 4.303 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -15.044 -1.113 2.152 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -14.076 0.220 1.552 1.00 0.00 H new ATOM 0 HG LEU B 36 -13.585 -1.229 4.201 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -11.598 -2.192 3.035 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -13.113 -2.667 2.231 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -12.098 -1.384 1.531 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -11.434 -0.020 4.221 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -11.908 0.843 2.739 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -12.816 1.101 4.247 1.00 0.00 H new ATOM 2012 N LEU B 37 -14.640 2.846 2.214 1.00 0.00 N ATOM 2013 CA LEU B 37 -13.983 4.153 2.232 1.00 0.00 C ATOM 2014 C LEU B 37 -14.641 5.079 3.246 1.00 0.00 C ATOM 2015 O LEU B 37 -13.953 5.765 3.993 1.00 0.00 O ATOM 2016 CB LEU B 37 -13.994 4.826 0.846 1.00 0.00 C ATOM 2017 CG LEU B 37 -12.994 4.151 -0.117 1.00 0.00 C ATOM 2018 CD1 LEU B 37 -11.567 4.644 0.164 1.00 0.00 C ATOM 2019 CD2 LEU B 37 -13.041 2.639 0.049 1.00 0.00 C ATOM 0 H LEU B 37 -15.110 2.597 1.344 1.00 0.00 H new ATOM 0 HA LEU B 37 -12.946 3.976 2.519 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -14.998 4.776 0.424 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -13.744 5.882 0.951 1.00 0.00 H new ATOM 0 HG LEU B 37 -13.273 4.413 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -10.873 4.159 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -11.521 5.724 0.024 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -11.293 4.399 1.190 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -12.331 2.176 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -12.780 2.377 1.074 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -14.046 2.280 -0.172 1.00 0.00 H new ATOM 2031 N GLN B 38 -15.973 5.084 3.287 1.00 0.00 N ATOM 2032 CA GLN B 38 -16.678 5.936 4.241 1.00 0.00 C ATOM 2033 C GLN B 38 -16.373 5.541 5.681 1.00 0.00 C ATOM 2034 O GLN B 38 -16.221 6.401 6.548 1.00 0.00 O ATOM 2035 CB GLN B 38 -18.189 5.872 4.001 1.00 0.00 C ATOM 2036 CG GLN B 38 -18.528 6.496 2.643 1.00 0.00 C ATOM 2037 CD GLN B 38 -20.025 6.377 2.381 1.00 0.00 C ATOM 2038 OE1 GLN B 38 -20.600 7.199 1.548 1.00 0.00 O flip ATOM 2039 NE2 GLN B 38 -20.692 5.522 2.966 1.00 0.00 N flip ATOM 0 H GLN B 38 -16.574 4.521 2.685 1.00 0.00 H new ATOM 0 HA GLN B 38 -16.327 6.956 4.085 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -18.527 4.836 4.030 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -18.715 6.401 4.796 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -18.229 7.544 2.629 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -17.970 5.995 1.852 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -20.240 4.880 3.617 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -21.696 5.456 2.799 1.00 0.00 H new ATOM 2048 N THR B 39 -16.286 4.239 5.931 1.00 0.00 N ATOM 2049 CA THR B 39 -16.001 3.757 7.278 1.00 0.00 C ATOM 2050 C THR B 39 -14.555 4.024 7.674 1.00 0.00 C ATOM 2051 O THR B 39 -14.259 4.251 8.848 1.00 0.00 O ATOM 2052 CB THR B 39 -16.292 2.257 7.374 1.00 0.00 C ATOM 2053 OG1 THR B 39 -15.424 1.551 6.498 1.00 0.00 O ATOM 2054 CG2 THR B 39 -17.753 1.973 6.997 1.00 0.00 C ATOM 0 H THR B 39 -16.407 3.508 5.230 1.00 0.00 H new ATOM 0 HA THR B 39 -16.648 4.301 7.967 1.00 0.00 H new ATOM 0 HB THR B 39 -16.125 1.927 8.399 1.00 0.00 H new ATOM 0 HG1 THR B 39 -15.110 2.154 5.792 1.00 0.00 H new ATOM 0 HG21 THR B 39 -17.946 0.903 7.070 1.00 0.00 H new ATOM 0 HG22 THR B 39 -18.415 2.508 7.678 1.00 0.00 H new ATOM 0 HG23 THR B 39 -17.937 2.306 5.976 1.00 0.00 H new ATOM 2062 N GLU B 40 -13.651 3.975 6.699 1.00 0.00 N ATOM 2063 CA GLU B 40 -12.233 4.194 6.981 1.00 0.00 C ATOM 2064 C GLU B 40 -11.745 5.596 6.604 1.00 0.00 C ATOM 2065 O GLU B 40 -11.257 6.331 7.461 1.00 0.00 O ATOM 2066 CB GLU B 40 -11.404 3.144 6.242 1.00 0.00 C ATOM 2067 CG GLU B 40 -11.621 1.759 6.866 1.00 0.00 C ATOM 2068 CD GLU B 40 -11.122 1.742 8.310 1.00 0.00 C ATOM 2069 OE1 GLU B 40 -10.314 2.594 8.648 1.00 0.00 O ATOM 2070 OE2 GLU B 40 -11.555 0.877 9.054 1.00 0.00 O ATOM 0 H GLU B 40 -13.869 3.789 5.720 1.00 0.00 H new ATOM 0 HA GLU B 40 -12.106 4.102 8.060 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -11.685 3.124 5.189 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -10.347 3.408 6.285 1.00 0.00 H new ATOM 0 HG2 GLU B 40 -12.680 1.502 6.837 1.00 0.00 H new ATOM 0 HG3 GLU B 40 -11.094 1.004 6.283 1.00 0.00 H new ATOM 2077 N LEU B 41 -11.853 5.966 5.327 1.00 0.00 N ATOM 2078 CA LEU B 41 -11.383 7.287 4.894 1.00 0.00 C ATOM 2079 C LEU B 41 -12.528 8.281 4.769 1.00 0.00 C ATOM 2080 O LEU B 41 -13.616 7.947 4.306 1.00 0.00 O ATOM 2081 CB LEU B 41 -10.663 7.193 3.545 1.00 0.00 C ATOM 2082 CG LEU B 41 -9.514 6.172 3.585 1.00 0.00 C ATOM 2083 CD1 LEU B 41 -8.778 6.220 2.247 1.00 0.00 C ATOM 2084 CD2 LEU B 41 -8.513 6.505 4.702 1.00 0.00 C ATOM 0 H LEU B 41 -12.252 5.387 4.588 1.00 0.00 H new ATOM 0 HA LEU B 41 -10.692 7.640 5.659 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -11.376 6.909 2.771 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -10.270 8.173 3.273 1.00 0.00 H new ATOM 0 HG LEU B 41 -9.932 5.183 3.774 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -7.958 5.501 2.257 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -9.470 5.971 1.442 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -8.380 7.222 2.086 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -7.712 5.766 4.705 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -8.092 7.495 4.530 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -9.024 6.491 5.665 1.00 0.00 H new ATOM 2096 N SER B 42 -12.275 9.520 5.178 1.00 0.00 N ATOM 2097 CA SER B 42 -13.299 10.558 5.096 1.00 0.00 C ATOM 2098 C SER B 42 -12.953 11.611 4.042 1.00 0.00 C ATOM 2099 O SER B 42 -13.709 11.835 3.097 1.00 0.00 O ATOM 2100 CB SER B 42 -13.458 11.228 6.467 1.00 0.00 C ATOM 2101 OG SER B 42 -14.525 10.606 7.169 1.00 0.00 O ATOM 0 H SER B 42 -11.383 9.828 5.565 1.00 0.00 H new ATOM 0 HA SER B 42 -14.236 10.087 4.800 1.00 0.00 H new ATOM 0 HB2 SER B 42 -12.533 11.142 7.037 1.00 0.00 H new ATOM 0 HB3 SER B 42 -13.659 12.292 6.344 1.00 0.00 H new ATOM 0 HG SER B 42 -14.630 11.029 8.047 1.00 0.00 H new ATOM 2107 N GLY B 43 -11.824 12.283 4.242 1.00 0.00 N ATOM 2108 CA GLY B 43 -11.394 13.350 3.343 1.00 0.00 C ATOM 2109 C GLY B 43 -11.205 12.914 1.888 1.00 0.00 C ATOM 2110 O GLY B 43 -11.527 13.674 0.974 1.00 0.00 O ATOM 0 H GLY B 43 -11.188 12.108 5.020 1.00 0.00 H new ATOM 0 HA2 GLY B 43 -12.129 14.154 3.376 1.00 0.00 H new ATOM 0 HA3 GLY B 43 -10.454 13.762 3.711 1.00 0.00 H new ATOM 2114 N PHE B 44 -10.657 11.723 1.655 1.00 0.00 N ATOM 2115 CA PHE B 44 -10.422 11.292 0.276 1.00 0.00 C ATOM 2116 C PHE B 44 -11.715 11.185 -0.533 1.00 0.00 C ATOM 2117 O PHE B 44 -11.826 11.777 -1.607 1.00 0.00 O ATOM 2118 CB PHE B 44 -9.695 9.947 0.272 1.00 0.00 C ATOM 2119 CG PHE B 44 -8.277 10.141 0.759 1.00 0.00 C ATOM 2120 CD1 PHE B 44 -7.268 10.470 -0.155 1.00 0.00 C ATOM 2121 CD2 PHE B 44 -7.970 9.998 2.118 1.00 0.00 C ATOM 2122 CE1 PHE B 44 -5.954 10.653 0.289 1.00 0.00 C ATOM 2123 CE2 PHE B 44 -6.655 10.181 2.560 1.00 0.00 C ATOM 2124 CZ PHE B 44 -5.646 10.508 1.646 1.00 0.00 C ATOM 0 H PHE B 44 -10.375 11.058 2.375 1.00 0.00 H new ATOM 0 HA PHE B 44 -9.805 12.054 -0.201 1.00 0.00 H new ATOM 0 HB2 PHE B 44 -10.217 9.237 0.913 1.00 0.00 H new ATOM 0 HB3 PHE B 44 -9.692 9.526 -0.733 1.00 0.00 H new ATOM 0 HD1 PHE B 44 -7.504 10.582 -1.203 1.00 0.00 H new ATOM 0 HD2 PHE B 44 -8.748 9.747 2.824 1.00 0.00 H new ATOM 0 HE1 PHE B 44 -5.177 10.906 -0.417 1.00 0.00 H new ATOM 0 HE2 PHE B 44 -6.418 10.070 3.608 1.00 0.00 H new ATOM 0 HZ PHE B 44 -4.631 10.648 1.988 1.00 0.00 H new ATOM 2134 N LEU B 45 -12.701 10.461 -0.014 1.00 0.00 N ATOM 2135 CA LEU B 45 -13.979 10.339 -0.719 1.00 0.00 C ATOM 2136 C LEU B 45 -14.784 11.626 -0.642 1.00 0.00 C ATOM 2137 O LEU B 45 -15.435 12.025 -1.607 1.00 0.00 O ATOM 2138 CB LEU B 45 -14.799 9.153 -0.169 1.00 0.00 C ATOM 2139 CG LEU B 45 -14.623 7.932 -1.088 1.00 0.00 C ATOM 2140 CD1 LEU B 45 -15.398 8.192 -2.397 1.00 0.00 C ATOM 2141 CD2 LEU B 45 -13.125 7.695 -1.384 1.00 0.00 C ATOM 0 H LEU B 45 -12.647 9.959 0.872 1.00 0.00 H new ATOM 0 HA LEU B 45 -13.756 10.148 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -14.472 8.910 0.842 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -15.853 9.425 -0.106 1.00 0.00 H new ATOM 0 HG LEU B 45 -15.013 7.039 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -15.285 7.336 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -16.454 8.340 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -15.003 9.084 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -13.016 6.828 -2.035 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -12.708 8.574 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -12.593 7.516 -0.449 1.00 0.00 H new ATOM 2153 N ASP B 46 -14.737 12.262 0.509 1.00 0.00 N ATOM 2154 CA ASP B 46 -15.465 13.497 0.714 1.00 0.00 C ATOM 2155 C ASP B 46 -15.010 14.585 -0.256 1.00 0.00 C ATOM 2156 O ASP B 46 -15.780 15.477 -0.611 1.00 0.00 O ATOM 2157 CB ASP B 46 -15.303 13.982 2.156 1.00 0.00 C ATOM 2158 CG ASP B 46 -16.235 15.162 2.418 1.00 0.00 C ATOM 2159 OD1 ASP B 46 -17.018 15.480 1.537 1.00 0.00 O ATOM 2160 OD2 ASP B 46 -16.152 15.729 3.494 1.00 0.00 O ATOM 0 H ASP B 46 -14.202 11.945 1.318 1.00 0.00 H new ATOM 0 HA ASP B 46 -16.518 13.292 0.522 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -15.527 13.171 2.849 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -14.269 14.278 2.335 1.00 0.00 H new ATOM 2165 N ALA B 47 -13.740 14.531 -0.639 1.00 0.00 N ATOM 2166 CA ALA B 47 -13.167 15.541 -1.520 1.00 0.00 C ATOM 2167 C ALA B 47 -13.939 15.666 -2.830 1.00 0.00 C ATOM 2168 O ALA B 47 -13.975 16.746 -3.419 1.00 0.00 O ATOM 2169 CB ALA B 47 -11.709 15.193 -1.824 1.00 0.00 C ATOM 0 H ALA B 47 -13.088 13.800 -0.354 1.00 0.00 H new ATOM 0 HA ALA B 47 -13.229 16.498 -1.003 1.00 0.00 H new ATOM 0 HB1 ALA B 47 -11.284 15.950 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA B 47 -11.141 15.161 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA B 47 -11.661 14.219 -2.312 1.00 0.00 H new ATOM 2175 N GLN B 48 -14.553 14.584 -3.299 1.00 0.00 N ATOM 2176 CA GLN B 48 -15.299 14.668 -4.551 1.00 0.00 C ATOM 2177 C GLN B 48 -16.757 15.020 -4.268 1.00 0.00 C ATOM 2178 O GLN B 48 -17.470 14.280 -3.590 1.00 0.00 O ATOM 2179 CB GLN B 48 -15.232 13.332 -5.280 1.00 0.00 C ATOM 2180 CG GLN B 48 -13.771 12.910 -5.438 1.00 0.00 C ATOM 2181 CD GLN B 48 -12.981 14.011 -6.133 1.00 0.00 C ATOM 2182 OE1 GLN B 48 -13.354 14.459 -7.217 1.00 0.00 O ATOM 2183 NE2 GLN B 48 -11.912 14.488 -5.556 1.00 0.00 N ATOM 0 H GLN B 48 -14.552 13.668 -2.850 1.00 0.00 H new ATOM 0 HA GLN B 48 -14.857 15.445 -5.174 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -15.782 12.574 -4.723 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -15.705 13.415 -6.258 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -13.337 12.702 -4.460 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -13.711 11.988 -6.016 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -11.607 14.113 -4.658 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -11.381 15.236 -6.003 1.00 0.00 H new ATOM 2192 N LYS B 49 -17.182 16.168 -4.784 1.00 0.00 N ATOM 2193 CA LYS B 49 -18.547 16.647 -4.580 1.00 0.00 C ATOM 2194 C LYS B 49 -19.617 15.741 -5.192 1.00 0.00 C ATOM 2195 O LYS B 49 -20.712 15.616 -4.643 1.00 0.00 O ATOM 2196 CB LYS B 49 -18.688 18.056 -5.160 1.00 0.00 C ATOM 2197 CG LYS B 49 -17.785 19.019 -4.386 1.00 0.00 C ATOM 2198 CD LYS B 49 -18.012 20.447 -4.890 1.00 0.00 C ATOM 2199 CE LYS B 49 -17.023 21.392 -4.206 1.00 0.00 C ATOM 2200 NZ LYS B 49 -17.402 22.804 -4.497 1.00 0.00 N ATOM 0 H LYS B 49 -16.600 16.787 -5.349 1.00 0.00 H new ATOM 0 HA LYS B 49 -18.714 16.646 -3.503 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -18.417 18.055 -6.216 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -19.726 18.384 -5.098 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -18.001 18.960 -3.319 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -16.740 18.738 -4.515 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -17.882 20.487 -5.971 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -19.035 20.760 -4.680 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -17.023 21.219 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -16.011 21.195 -4.561 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -16.730 23.447 -4.032 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -17.381 22.965 -5.524 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -18.361 22.987 -4.138 1.00 0.00 H new ATOM 2214 N ASP B 50 -19.326 15.151 -6.346 1.00 0.00 N ATOM 2215 CA ASP B 50 -20.316 14.316 -7.022 1.00 0.00 C ATOM 2216 C ASP B 50 -20.585 13.008 -6.284 1.00 0.00 C ATOM 2217 O ASP B 50 -19.672 12.380 -5.748 1.00 0.00 O ATOM 2218 CB ASP B 50 -19.870 13.995 -8.442 1.00 0.00 C ATOM 2219 CG ASP B 50 -19.835 15.268 -9.281 1.00 0.00 C ATOM 2220 OD1 ASP B 50 -20.378 16.263 -8.832 1.00 0.00 O ATOM 2221 OD2 ASP B 50 -19.266 15.228 -10.359 1.00 0.00 O ATOM 0 H ASP B 50 -18.430 15.232 -6.827 1.00 0.00 H new ATOM 0 HA ASP B 50 -21.240 14.894 -7.038 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -18.883 13.534 -8.426 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -20.552 13.273 -8.891 1.00 0.00 H new ATOM 2226 N VAL B 51 -21.851 12.595 -6.294 1.00 0.00 N ATOM 2227 CA VAL B 51 -22.250 11.344 -5.656 1.00 0.00 C ATOM 2228 C VAL B 51 -21.780 10.173 -6.510 1.00 0.00 C ATOM 2229 O VAL B 51 -21.534 9.074 -6.012 1.00 0.00 O ATOM 2230 CB VAL B 51 -23.773 11.282 -5.494 1.00 0.00 C ATOM 2231 CG1 VAL B 51 -24.286 12.594 -4.887 1.00 0.00 C ATOM 2232 CG2 VAL B 51 -24.438 11.039 -6.855 1.00 0.00 C ATOM 0 H VAL B 51 -22.615 13.107 -6.735 1.00 0.00 H new ATOM 0 HA VAL B 51 -21.794 11.291 -4.668 1.00 0.00 H new ATOM 0 HB VAL B 51 -24.025 10.458 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -25.369 12.544 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -23.826 12.747 -3.911 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -24.028 13.424 -5.544 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -25.520 10.997 -6.729 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -24.183 11.852 -7.535 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -24.084 10.095 -7.270 1.00 0.00 H new ATOM 2242 N ASP B 52 -21.650 10.437 -7.808 1.00 0.00 N ATOM 2243 CA ASP B 52 -21.202 9.428 -8.759 1.00 0.00 C ATOM 2244 C ASP B 52 -19.690 9.300 -8.689 1.00 0.00 C ATOM 2245 O ASP B 52 -19.074 8.528 -9.432 1.00 0.00 O ATOM 2246 CB ASP B 52 -21.618 9.821 -10.178 1.00 0.00 C ATOM 2247 CG ASP B 52 -23.137 9.777 -10.305 1.00 0.00 C ATOM 2248 OD1 ASP B 52 -23.772 9.234 -9.416 1.00 0.00 O ATOM 2249 OD2 ASP B 52 -23.644 10.286 -11.292 1.00 0.00 O ATOM 0 H ASP B 52 -21.850 11.346 -8.225 1.00 0.00 H new ATOM 0 HA ASP B 52 -21.662 8.472 -8.506 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -21.254 10.822 -10.409 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -21.164 9.142 -10.900 1.00 0.00 H new ATOM 2254 N ALA B 53 -19.093 10.073 -7.792 1.00 0.00 N ATOM 2255 CA ALA B 53 -17.654 10.052 -7.638 1.00 0.00 C ATOM 2256 C ALA B 53 -17.187 8.638 -7.330 1.00 0.00 C ATOM 2257 O ALA B 53 -16.140 8.207 -7.810 1.00 0.00 O ATOM 2258 CB ALA B 53 -17.250 10.983 -6.499 1.00 0.00 C ATOM 0 H ALA B 53 -19.581 10.715 -7.168 1.00 0.00 H new ATOM 0 HA ALA B 53 -17.189 10.388 -8.565 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -16.166 10.967 -6.383 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -17.576 11.998 -6.726 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -17.719 10.650 -5.573 1.00 0.00 H new ATOM 2264 N VAL B 54 -17.977 7.903 -6.551 1.00 0.00 N ATOM 2265 CA VAL B 54 -17.611 6.530 -6.237 1.00 0.00 C ATOM 2266 C VAL B 54 -17.499 5.717 -7.517 1.00 0.00 C ATOM 2267 O VAL B 54 -16.546 4.951 -7.708 1.00 0.00 O ATOM 2268 CB VAL B 54 -18.680 5.894 -5.347 1.00 0.00 C ATOM 2269 CG1 VAL B 54 -19.966 5.696 -6.156 1.00 0.00 C ATOM 2270 CG2 VAL B 54 -18.189 4.529 -4.867 1.00 0.00 C ATOM 0 H VAL B 54 -18.851 8.226 -6.137 1.00 0.00 H new ATOM 0 HA VAL B 54 -16.653 6.538 -5.717 1.00 0.00 H new ATOM 0 HB VAL B 54 -18.874 6.544 -4.494 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -20.728 5.243 -5.522 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -20.321 6.661 -6.517 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -19.765 5.043 -7.005 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -18.948 4.072 -4.232 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -18.001 3.887 -5.727 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -17.267 4.653 -4.299 1.00 0.00 H new ATOM 2280 N ASP B 55 -18.467 5.905 -8.405 1.00 0.00 N ATOM 2281 CA ASP B 55 -18.449 5.196 -9.666 1.00 0.00 C ATOM 2282 C ASP B 55 -17.210 5.578 -10.441 1.00 0.00 C ATOM 2283 O ASP B 55 -16.537 4.730 -11.022 1.00 0.00 O ATOM 2284 CB ASP B 55 -19.690 5.560 -10.474 1.00 0.00 C ATOM 2285 CG ASP B 55 -20.931 5.007 -9.795 1.00 0.00 C ATOM 2286 OD1 ASP B 55 -20.771 4.219 -8.884 1.00 0.00 O ATOM 2287 OD2 ASP B 55 -22.021 5.379 -10.196 1.00 0.00 O ATOM 0 H ASP B 55 -19.260 6.533 -8.274 1.00 0.00 H new ATOM 0 HA ASP B 55 -18.442 4.122 -9.479 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -19.769 6.643 -10.568 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -19.608 5.158 -11.484 1.00 0.00 H new ATOM 2292 N LYS B 56 -16.899 6.870 -10.421 1.00 0.00 N ATOM 2293 CA LYS B 56 -15.720 7.357 -11.110 1.00 0.00 C ATOM 2294 C LYS B 56 -14.473 6.705 -10.533 1.00 0.00 C ATOM 2295 O LYS B 56 -13.540 6.367 -11.263 1.00 0.00 O ATOM 2296 CB LYS B 56 -15.627 8.878 -10.966 1.00 0.00 C ATOM 2297 CG LYS B 56 -16.823 9.526 -11.669 1.00 0.00 C ATOM 2298 CD LYS B 56 -16.683 11.048 -11.623 1.00 0.00 C ATOM 2299 CE LYS B 56 -17.933 11.696 -12.221 1.00 0.00 C ATOM 2300 NZ LYS B 56 -18.057 11.308 -13.655 1.00 0.00 N ATOM 0 H LYS B 56 -17.442 7.587 -9.940 1.00 0.00 H new ATOM 0 HA LYS B 56 -15.795 7.102 -12.167 1.00 0.00 H new ATOM 0 HB2 LYS B 56 -15.616 9.155 -9.912 1.00 0.00 H new ATOM 0 HB3 LYS B 56 -14.695 9.240 -11.400 1.00 0.00 H new ATOM 0 HG2 LYS B 56 -16.877 9.187 -12.704 1.00 0.00 H new ATOM 0 HG3 LYS B 56 -17.751 9.221 -11.185 1.00 0.00 H new ATOM 0 HD2 LYS B 56 -16.546 11.380 -10.594 1.00 0.00 H new ATOM 0 HD3 LYS B 56 -15.798 11.359 -12.179 1.00 0.00 H new ATOM 0 HE2 LYS B 56 -18.819 11.380 -11.670 1.00 0.00 H new ATOM 0 HE3 LYS B 56 -17.872 12.781 -12.131 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 -18.275 12.150 -14.225 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 -17.161 10.892 -13.981 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 -18.821 10.611 -13.761 1.00 0.00 H new ATOM 2314 N VAL B 57 -14.466 6.531 -9.214 1.00 0.00 N ATOM 2315 CA VAL B 57 -13.327 5.918 -8.549 1.00 0.00 C ATOM 2316 C VAL B 57 -13.151 4.462 -8.969 1.00 0.00 C ATOM 2317 O VAL B 57 -12.040 4.019 -9.224 1.00 0.00 O ATOM 2318 CB VAL B 57 -13.516 5.977 -7.029 1.00 0.00 C ATOM 2319 CG1 VAL B 57 -12.408 5.172 -6.347 1.00 0.00 C ATOM 2320 CG2 VAL B 57 -13.449 7.431 -6.550 1.00 0.00 C ATOM 0 H VAL B 57 -15.228 6.803 -8.593 1.00 0.00 H new ATOM 0 HA VAL B 57 -12.436 6.475 -8.841 1.00 0.00 H new ATOM 0 HB VAL B 57 -14.489 5.557 -6.774 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -12.541 5.213 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -12.455 4.135 -6.679 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -11.438 5.594 -6.609 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -13.584 7.465 -5.469 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -12.478 7.855 -6.808 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -14.237 8.010 -7.032 1.00 0.00 H new ATOM 2330 N MET B 58 -14.250 3.713 -9.013 1.00 0.00 N ATOM 2331 CA MET B 58 -14.179 2.296 -9.376 1.00 0.00 C ATOM 2332 C MET B 58 -13.837 2.035 -10.854 1.00 0.00 C ATOM 2333 O MET B 58 -13.208 1.018 -11.168 1.00 0.00 O ATOM 2334 CB MET B 58 -15.459 1.551 -8.942 1.00 0.00 C ATOM 2335 CG MET B 58 -16.559 1.597 -10.019 1.00 0.00 C ATOM 2336 SD MET B 58 -16.757 -0.049 -10.753 1.00 0.00 S ATOM 2337 CE MET B 58 -17.530 -0.856 -9.325 1.00 0.00 C ATOM 0 H MET B 58 -15.188 4.055 -8.806 1.00 0.00 H new ATOM 0 HA MET B 58 -13.334 1.890 -8.820 1.00 0.00 H new ATOM 0 HB2 MET B 58 -15.214 0.512 -8.721 1.00 0.00 H new ATOM 0 HB3 MET B 58 -15.838 1.992 -8.020 1.00 0.00 H new ATOM 0 HG2 MET B 58 -17.500 1.926 -9.579 1.00 0.00 H new ATOM 0 HG3 MET B 58 -16.297 2.322 -10.790 1.00 0.00 H new ATOM 0 HE1 MET B 58 -16.860 -1.621 -8.932 1.00 0.00 H new ATOM 0 HE2 MET B 58 -17.728 -0.114 -8.551 1.00 0.00 H new ATOM 0 HE3 MET B 58 -18.468 -1.319 -9.632 1.00 0.00 H new ATOM 2347 N LYS B 59 -14.272 2.906 -11.769 1.00 0.00 N ATOM 2348 CA LYS B 59 -14.008 2.662 -13.188 1.00 0.00 C ATOM 2349 C LYS B 59 -12.521 2.547 -13.507 1.00 0.00 C ATOM 2350 O LYS B 59 -12.125 1.684 -14.290 1.00 0.00 O ATOM 2351 CB LYS B 59 -14.615 3.752 -14.050 1.00 0.00 C ATOM 2352 CG LYS B 59 -16.146 3.735 -13.876 1.00 0.00 C ATOM 2353 CD LYS B 59 -16.797 3.869 -15.238 1.00 0.00 C ATOM 2354 CE LYS B 59 -16.490 5.244 -15.838 1.00 0.00 C ATOM 2355 NZ LYS B 59 -16.986 6.308 -14.919 1.00 0.00 N ATOM 0 H LYS B 59 -14.792 3.759 -11.563 1.00 0.00 H new ATOM 0 HA LYS B 59 -14.475 1.703 -13.415 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -14.214 4.725 -13.764 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -14.353 3.594 -15.096 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -16.461 2.807 -13.398 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -16.460 4.552 -13.226 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -16.433 3.085 -15.902 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -17.875 3.736 -15.149 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -15.417 5.354 -15.993 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -16.965 5.341 -16.814 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -17.158 7.180 -15.459 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -17.872 5.996 -14.473 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -16.274 6.491 -14.183 1.00 0.00 H new ATOM 2369 N GLU B 60 -11.694 3.395 -12.907 1.00 0.00 N ATOM 2370 CA GLU B 60 -10.262 3.317 -13.175 1.00 0.00 C ATOM 2371 C GLU B 60 -9.661 2.084 -12.510 1.00 0.00 C ATOM 2372 O GLU B 60 -8.743 1.459 -13.042 1.00 0.00 O ATOM 2373 CB GLU B 60 -9.554 4.587 -12.683 1.00 0.00 C ATOM 2374 CG GLU B 60 -9.423 4.562 -11.159 1.00 0.00 C ATOM 2375 CD GLU B 60 -8.850 5.887 -10.666 1.00 0.00 C ATOM 2376 OE1 GLU B 60 -8.496 6.703 -11.500 1.00 0.00 O ATOM 2377 OE2 GLU B 60 -8.775 6.065 -9.462 1.00 0.00 O ATOM 0 H GLU B 60 -11.977 4.123 -12.251 1.00 0.00 H new ATOM 0 HA GLU B 60 -10.118 3.235 -14.252 1.00 0.00 H new ATOM 0 HB2 GLU B 60 -8.567 4.662 -13.139 1.00 0.00 H new ATOM 0 HB3 GLU B 60 -10.116 5.468 -12.993 1.00 0.00 H new ATOM 0 HG2 GLU B 60 -10.398 4.386 -10.704 1.00 0.00 H new ATOM 0 HG3 GLU B 60 -8.776 3.740 -10.854 1.00 0.00 H new ATOM 2384 N LEU B 61 -10.189 1.744 -11.338 1.00 0.00 N ATOM 2385 CA LEU B 61 -9.705 0.585 -10.594 1.00 0.00 C ATOM 2386 C LEU B 61 -10.013 -0.720 -11.288 1.00 0.00 C ATOM 2387 O LEU B 61 -9.237 -1.667 -11.189 1.00 0.00 O ATOM 2388 CB LEU B 61 -10.325 0.537 -9.196 1.00 0.00 C ATOM 2389 CG LEU B 61 -9.961 1.782 -8.379 1.00 0.00 C ATOM 2390 CD1 LEU B 61 -10.648 1.694 -7.005 1.00 0.00 C ATOM 2391 CD2 LEU B 61 -8.437 1.853 -8.180 1.00 0.00 C ATOM 0 H LEU B 61 -10.949 2.252 -10.884 1.00 0.00 H new ATOM 0 HA LEU B 61 -8.623 0.702 -10.530 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -11.409 0.459 -9.280 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -9.981 -0.356 -8.674 1.00 0.00 H new ATOM 0 HG LEU B 61 -10.293 2.674 -8.909 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -10.396 2.575 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -11.728 1.645 -7.141 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -10.307 0.799 -6.484 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -8.187 2.740 -7.599 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -8.098 0.964 -7.649 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -7.945 1.905 -9.151 1.00 0.00 H new ATOM 2403 N ASP B 62 -11.153 -0.807 -11.956 1.00 0.00 N ATOM 2404 CA ASP B 62 -11.490 -2.068 -12.582 1.00 0.00 C ATOM 2405 C ASP B 62 -10.638 -2.321 -13.809 1.00 0.00 C ATOM 2406 O ASP B 62 -11.013 -1.977 -14.930 1.00 0.00 O ATOM 2407 CB ASP B 62 -12.956 -2.107 -12.986 1.00 0.00 C ATOM 2408 CG ASP B 62 -13.289 -3.509 -13.476 1.00 0.00 C ATOM 2409 OD1 ASP B 62 -12.549 -4.425 -13.132 1.00 0.00 O ATOM 2410 OD2 ASP B 62 -14.258 -3.645 -14.201 1.00 0.00 O ATOM 0 H ASP B 62 -11.831 -0.054 -12.074 1.00 0.00 H new ATOM 0 HA ASP B 62 -11.297 -2.847 -11.844 1.00 0.00 H new ATOM 0 HB2 ASP B 62 -13.589 -1.842 -12.139 1.00 0.00 H new ATOM 0 HB3 ASP B 62 -13.152 -1.376 -13.770 1.00 0.00 H new ATOM 2415 N GLU B 63 -9.516 -2.981 -13.583 1.00 0.00 N ATOM 2416 CA GLU B 63 -8.624 -3.357 -14.668 1.00 0.00 C ATOM 2417 C GLU B 63 -9.274 -4.356 -15.595 1.00 0.00 C ATOM 2418 O GLU B 63 -9.226 -4.252 -16.821 1.00 0.00 O ATOM 2419 CB GLU B 63 -7.406 -4.026 -14.037 1.00 0.00 C ATOM 2420 CG GLU B 63 -6.514 -4.603 -15.127 1.00 0.00 C ATOM 2421 CD GLU B 63 -5.317 -5.310 -14.501 1.00 0.00 C ATOM 2422 OE1 GLU B 63 -5.256 -5.363 -13.284 1.00 0.00 O ATOM 2423 OE2 GLU B 63 -4.478 -5.786 -15.247 1.00 0.00 O ATOM 0 H GLU B 63 -9.200 -3.268 -12.657 1.00 0.00 H new ATOM 0 HA GLU B 63 -8.364 -2.469 -15.244 1.00 0.00 H new ATOM 0 HB2 GLU B 63 -6.848 -3.302 -13.443 1.00 0.00 H new ATOM 0 HB3 GLU B 63 -7.725 -4.817 -13.358 1.00 0.00 H new ATOM 0 HG2 GLU B 63 -7.081 -5.304 -15.740 1.00 0.00 H new ATOM 0 HG3 GLU B 63 -6.172 -3.807 -15.788 1.00 0.00 H new ATOM 2430 N ASN B 64 -9.842 -5.334 -14.955 1.00 0.00 N ATOM 2431 CA ASN B 64 -10.499 -6.440 -15.599 1.00 0.00 C ATOM 2432 C ASN B 64 -11.661 -6.008 -16.490 1.00 0.00 C ATOM 2433 O ASN B 64 -11.949 -6.647 -17.502 1.00 0.00 O ATOM 2434 CB ASN B 64 -11.026 -7.289 -14.473 1.00 0.00 C ATOM 2435 CG ASN B 64 -9.895 -7.785 -13.590 1.00 0.00 C ATOM 2436 OD1 ASN B 64 -9.928 -7.556 -12.376 1.00 0.00 O ATOM 2437 ND2 ASN B 64 -8.900 -8.446 -14.115 1.00 0.00 N ATOM 0 H ASN B 64 -9.863 -5.389 -13.937 1.00 0.00 H new ATOM 0 HA ASN B 64 -9.800 -6.961 -16.253 1.00 0.00 H new ATOM 0 HB2 ASN B 64 -11.731 -6.711 -13.876 1.00 0.00 H new ATOM 0 HB3 ASN B 64 -11.574 -8.139 -14.879 1.00 0.00 H new ATOM 0 HD21 ASN B 64 -8.140 -8.779 -13.522 1.00 0.00 H new ATOM 0 HD22 ASN B 64 -8.883 -8.630 -15.118 1.00 0.00 H new ATOM 2444 N GLY B 65 -12.362 -4.960 -16.072 1.00 0.00 N ATOM 2445 CA GLY B 65 -13.536 -4.501 -16.808 1.00 0.00 C ATOM 2446 C GLY B 65 -14.755 -5.246 -16.265 1.00 0.00 C ATOM 2447 O GLY B 65 -15.876 -5.107 -16.756 1.00 0.00 O ATOM 0 H GLY B 65 -12.142 -4.417 -15.237 1.00 0.00 H new ATOM 0 HA2 GLY B 65 -13.663 -3.425 -16.690 1.00 0.00 H new ATOM 0 HA3 GLY B 65 -13.416 -4.693 -17.874 1.00 0.00 H new ATOM 2451 N ASP B 66 -14.483 -6.045 -15.236 1.00 0.00 N ATOM 2452 CA ASP B 66 -15.476 -6.863 -14.553 1.00 0.00 C ATOM 2453 C ASP B 66 -16.587 -6.035 -13.897 1.00 0.00 C ATOM 2454 O ASP B 66 -17.722 -6.496 -13.778 1.00 0.00 O ATOM 2455 CB ASP B 66 -14.737 -7.716 -13.507 1.00 0.00 C ATOM 2456 CG ASP B 66 -14.045 -6.817 -12.475 1.00 0.00 C ATOM 2457 OD1 ASP B 66 -14.354 -5.643 -12.437 1.00 0.00 O ATOM 2458 OD2 ASP B 66 -13.193 -7.313 -11.752 1.00 0.00 O ATOM 0 H ASP B 66 -13.545 -6.142 -14.847 1.00 0.00 H new ATOM 0 HA ASP B 66 -15.979 -7.492 -15.287 1.00 0.00 H new ATOM 0 HB2 ASP B 66 -15.442 -8.379 -13.006 1.00 0.00 H new ATOM 0 HB3 ASP B 66 -13.999 -8.349 -14.000 1.00 0.00 H new ATOM 2463 N GLY B 67 -16.249 -4.839 -13.444 1.00 0.00 N ATOM 2464 CA GLY B 67 -17.214 -3.978 -12.766 1.00 0.00 C ATOM 2465 C GLY B 67 -17.011 -4.094 -11.263 1.00 0.00 C ATOM 2466 O GLY B 67 -17.625 -3.378 -10.472 1.00 0.00 O ATOM 0 H GLY B 67 -15.315 -4.439 -13.532 1.00 0.00 H new ATOM 0 HA2 GLY B 67 -17.085 -2.944 -13.085 1.00 0.00 H new ATOM 0 HA3 GLY B 67 -18.230 -4.269 -13.032 1.00 0.00 H new ATOM 2470 N GLU B 68 -16.106 -4.993 -10.897 1.00 0.00 N ATOM 2471 CA GLU B 68 -15.743 -5.224 -9.507 1.00 0.00 C ATOM 2472 C GLU B 68 -14.310 -4.792 -9.240 1.00 0.00 C ATOM 2473 O GLU B 68 -13.454 -4.799 -10.138 1.00 0.00 O ATOM 2474 CB GLU B 68 -15.847 -6.705 -9.143 1.00 0.00 C ATOM 2475 CG GLU B 68 -17.290 -7.197 -9.137 1.00 0.00 C ATOM 2476 CD GLU B 68 -17.765 -7.486 -10.558 1.00 0.00 C ATOM 2477 OE1 GLU B 68 -16.926 -7.572 -11.439 1.00 0.00 O ATOM 2478 OE2 GLU B 68 -18.963 -7.615 -10.745 1.00 0.00 O ATOM 0 H GLU B 68 -15.602 -5.584 -11.559 1.00 0.00 H new ATOM 0 HA GLU B 68 -16.438 -4.639 -8.905 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -15.267 -7.294 -9.854 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -15.405 -6.868 -8.160 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -17.370 -8.099 -8.531 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -17.934 -6.447 -8.678 1.00 0.00 H new ATOM 2485 N VAL B 69 -14.048 -4.465 -7.982 1.00 0.00 N ATOM 2486 CA VAL B 69 -12.715 -4.078 -7.562 1.00 0.00 C ATOM 2487 C VAL B 69 -12.130 -5.228 -6.755 1.00 0.00 C ATOM 2488 O VAL B 69 -12.794 -5.756 -5.868 1.00 0.00 O ATOM 2489 CB VAL B 69 -12.805 -2.820 -6.689 1.00 0.00 C ATOM 2490 CG1 VAL B 69 -11.410 -2.340 -6.299 1.00 0.00 C ATOM 2491 CG2 VAL B 69 -13.525 -1.714 -7.456 1.00 0.00 C ATOM 0 H VAL B 69 -14.744 -4.461 -7.236 1.00 0.00 H new ATOM 0 HA VAL B 69 -12.083 -3.863 -8.424 1.00 0.00 H new ATOM 0 HB VAL B 69 -13.361 -3.063 -5.784 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -11.492 -1.447 -5.680 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -10.899 -3.123 -5.739 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -10.841 -2.107 -7.199 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -13.588 -0.821 -6.834 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -12.972 -1.483 -8.367 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -14.530 -2.046 -7.716 1.00 0.00 H new ATOM 2501 N ASP B 70 -10.902 -5.639 -7.067 1.00 0.00 N ATOM 2502 CA ASP B 70 -10.302 -6.761 -6.340 1.00 0.00 C ATOM 2503 C ASP B 70 -9.314 -6.256 -5.295 1.00 0.00 C ATOM 2504 O ASP B 70 -9.005 -5.066 -5.237 1.00 0.00 O ATOM 2505 CB ASP B 70 -9.622 -7.748 -7.302 1.00 0.00 C ATOM 2506 CG ASP B 70 -8.354 -7.157 -7.899 1.00 0.00 C ATOM 2507 OD1 ASP B 70 -7.811 -6.253 -7.299 1.00 0.00 O ATOM 2508 OD2 ASP B 70 -7.917 -7.655 -8.923 1.00 0.00 O ATOM 0 H ASP B 70 -10.317 -5.229 -7.795 1.00 0.00 H new ATOM 0 HA ASP B 70 -11.102 -7.295 -5.827 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -9.381 -8.669 -6.771 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -10.313 -8.013 -8.102 1.00 0.00 H new ATOM 2513 N PHE B 71 -8.849 -7.169 -4.459 1.00 0.00 N ATOM 2514 CA PHE B 71 -7.921 -6.832 -3.388 1.00 0.00 C ATOM 2515 C PHE B 71 -6.706 -6.088 -3.958 1.00 0.00 C ATOM 2516 O PHE B 71 -6.276 -5.083 -3.413 1.00 0.00 O ATOM 2517 CB PHE B 71 -7.467 -8.157 -2.760 1.00 0.00 C ATOM 2518 CG PHE B 71 -6.861 -8.003 -1.373 1.00 0.00 C ATOM 2519 CD1 PHE B 71 -6.421 -6.766 -0.866 1.00 0.00 C ATOM 2520 CD2 PHE B 71 -6.731 -9.152 -0.587 1.00 0.00 C ATOM 2521 CE1 PHE B 71 -5.861 -6.696 0.420 1.00 0.00 C ATOM 2522 CE2 PHE B 71 -6.175 -9.076 0.689 1.00 0.00 C ATOM 2523 CZ PHE B 71 -5.741 -7.850 1.192 1.00 0.00 C ATOM 0 H PHE B 71 -9.100 -8.157 -4.501 1.00 0.00 H new ATOM 0 HA PHE B 71 -8.398 -6.187 -2.650 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -8.321 -8.832 -2.700 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -6.735 -8.627 -3.416 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -6.514 -5.872 -1.465 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -7.064 -10.105 -0.971 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -5.523 -5.748 0.811 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -6.080 -9.969 1.289 1.00 0.00 H new ATOM 0 HZ PHE B 71 -5.311 -7.795 2.181 1.00 0.00 H new ATOM 2533 N GLN B 72 -6.159 -6.576 -5.065 1.00 0.00 N ATOM 2534 CA GLN B 72 -4.991 -5.922 -5.667 1.00 0.00 C ATOM 2535 C GLN B 72 -5.297 -4.484 -6.117 1.00 0.00 C ATOM 2536 O GLN B 72 -4.482 -3.569 -5.916 1.00 0.00 O ATOM 2537 CB GLN B 72 -4.508 -6.748 -6.865 1.00 0.00 C ATOM 2538 CG GLN B 72 -4.011 -8.114 -6.374 1.00 0.00 C ATOM 2539 CD GLN B 72 -3.559 -8.978 -7.540 1.00 0.00 C ATOM 2540 OE1 GLN B 72 -3.867 -8.683 -8.695 1.00 0.00 O ATOM 2541 NE2 GLN B 72 -2.841 -10.039 -7.297 1.00 0.00 N ATOM 0 H GLN B 72 -6.492 -7.404 -5.559 1.00 0.00 H new ATOM 0 HA GLN B 72 -4.212 -5.866 -4.906 1.00 0.00 H new ATOM 0 HB2 GLN B 72 -5.319 -6.880 -7.581 1.00 0.00 H new ATOM 0 HB3 GLN B 72 -3.707 -6.222 -7.384 1.00 0.00 H new ATOM 0 HG2 GLN B 72 -3.185 -7.976 -5.677 1.00 0.00 H new ATOM 0 HG3 GLN B 72 -4.807 -8.620 -5.828 1.00 0.00 H new ATOM 0 HE21 GLN B 72 -2.590 -10.276 -6.337 1.00 0.00 H new ATOM 0 HE22 GLN B 72 -2.530 -10.632 -8.067 1.00 0.00 H new ATOM 2550 N GLU B 73 -6.477 -4.276 -6.707 1.00 0.00 N ATOM 2551 CA GLU B 73 -6.855 -2.939 -7.157 1.00 0.00 C ATOM 2552 C GLU B 73 -6.996 -2.007 -5.946 1.00 0.00 C ATOM 2553 O GLU B 73 -6.543 -0.853 -5.943 1.00 0.00 O ATOM 2554 CB GLU B 73 -8.196 -3.020 -7.905 1.00 0.00 C ATOM 2555 CG GLU B 73 -8.059 -3.837 -9.204 1.00 0.00 C ATOM 2556 CD GLU B 73 -9.402 -3.858 -9.943 1.00 0.00 C ATOM 2557 OE1 GLU B 73 -10.300 -3.171 -9.496 1.00 0.00 O ATOM 2558 OE2 GLU B 73 -9.507 -4.532 -10.963 1.00 0.00 O ATOM 0 H GLU B 73 -7.173 -5.001 -6.881 1.00 0.00 H new ATOM 0 HA GLU B 73 -6.087 -2.546 -7.823 1.00 0.00 H new ATOM 0 HB2 GLU B 73 -8.948 -3.478 -7.262 1.00 0.00 H new ATOM 0 HB3 GLU B 73 -8.546 -2.015 -8.139 1.00 0.00 H new ATOM 0 HG2 GLU B 73 -7.289 -3.401 -9.840 1.00 0.00 H new ATOM 0 HG3 GLU B 73 -7.743 -4.855 -8.974 1.00 0.00 H new ATOM 2565 N TYR B 74 -7.600 -2.551 -4.895 1.00 0.00 N ATOM 2566 CA TYR B 74 -7.787 -1.823 -3.648 1.00 0.00 C ATOM 2567 C TYR B 74 -6.433 -1.488 -3.031 1.00 0.00 C ATOM 2568 O TYR B 74 -6.203 -0.392 -2.497 1.00 0.00 O ATOM 2569 CB TYR B 74 -8.581 -2.707 -2.686 1.00 0.00 C ATOM 2570 CG TYR B 74 -8.892 -1.950 -1.425 1.00 0.00 C ATOM 2571 CD1 TYR B 74 -8.000 -1.984 -0.347 1.00 0.00 C ATOM 2572 CD2 TYR B 74 -10.076 -1.214 -1.333 1.00 0.00 C ATOM 2573 CE1 TYR B 74 -8.295 -1.278 0.823 1.00 0.00 C ATOM 2574 CE2 TYR B 74 -10.370 -0.512 -0.163 1.00 0.00 C ATOM 2575 CZ TYR B 74 -9.480 -0.543 0.912 1.00 0.00 C ATOM 2576 OH TYR B 74 -9.779 0.150 2.061 1.00 0.00 O ATOM 0 H TYR B 74 -7.971 -3.501 -4.884 1.00 0.00 H new ATOM 0 HA TYR B 74 -8.324 -0.894 -3.840 1.00 0.00 H new ATOM 0 HB2 TYR B 74 -9.506 -3.034 -3.160 1.00 0.00 H new ATOM 0 HB3 TYR B 74 -8.010 -3.604 -2.449 1.00 0.00 H new ATOM 0 HD1 TYR B 74 -7.086 -2.554 -0.419 1.00 0.00 H new ATOM 0 HD2 TYR B 74 -10.763 -1.188 -2.166 1.00 0.00 H new ATOM 0 HE1 TYR B 74 -7.608 -1.301 1.656 1.00 0.00 H new ATOM 0 HE2 TYR B 74 -11.286 0.055 -0.089 1.00 0.00 H new ATOM 0 HH TYR B 74 -9.772 1.112 1.874 1.00 0.00 H new ATOM 2586 N VAL B 75 -5.552 -2.476 -3.107 1.00 0.00 N ATOM 2587 CA VAL B 75 -4.206 -2.357 -2.552 1.00 0.00 C ATOM 2588 C VAL B 75 -3.459 -1.208 -3.221 1.00 0.00 C ATOM 2589 O VAL B 75 -2.876 -0.344 -2.537 1.00 0.00 O ATOM 2590 CB VAL B 75 -3.441 -3.731 -2.682 1.00 0.00 C ATOM 2591 CG1 VAL B 75 -2.234 -3.646 -3.626 1.00 0.00 C ATOM 2592 CG2 VAL B 75 -2.937 -4.194 -1.308 1.00 0.00 C ATOM 0 H VAL B 75 -5.745 -3.375 -3.550 1.00 0.00 H new ATOM 0 HA VAL B 75 -4.269 -2.123 -1.489 1.00 0.00 H new ATOM 0 HB VAL B 75 -4.158 -4.441 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL B 75 -1.744 -4.618 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL B 75 -2.570 -3.354 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL B 75 -1.529 -2.905 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL B 75 -2.411 -5.143 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL B 75 -2.257 -3.447 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL B 75 -3.784 -4.322 -0.634 1.00 0.00 H new ATOM 2602 N VAL B 76 -3.498 -1.152 -4.548 1.00 0.00 N ATOM 2603 CA VAL B 76 -2.819 -0.053 -5.203 1.00 0.00 C ATOM 2604 C VAL B 76 -3.547 1.247 -4.888 1.00 0.00 C ATOM 2605 O VAL B 76 -2.913 2.283 -4.747 1.00 0.00 O ATOM 2606 CB VAL B 76 -2.679 -0.267 -6.716 1.00 0.00 C ATOM 2607 CG1 VAL B 76 -2.023 -1.628 -6.977 1.00 0.00 C ATOM 2608 CG2 VAL B 76 -4.046 -0.220 -7.393 1.00 0.00 C ATOM 0 H VAL B 76 -3.968 -1.819 -5.160 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.802 0.000 -4.814 1.00 0.00 H new ATOM 0 HB VAL B 76 -2.059 0.529 -7.129 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.922 -1.783 -8.051 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.037 -1.652 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.643 -2.418 -6.553 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -3.926 -0.374 -8.465 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -4.682 -1.004 -6.983 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -4.507 0.752 -7.215 1.00 0.00 H new ATOM 2618 N LEU B 77 -4.879 1.207 -4.755 1.00 0.00 N ATOM 2619 CA LEU B 77 -5.592 2.442 -4.420 1.00 0.00 C ATOM 2620 C LEU B 77 -5.070 3.054 -3.120 1.00 0.00 C ATOM 2621 O LEU B 77 -4.725 4.236 -3.078 1.00 0.00 O ATOM 2622 CB LEU B 77 -7.100 2.153 -4.265 1.00 0.00 C ATOM 2623 CG LEU B 77 -7.896 3.411 -3.822 1.00 0.00 C ATOM 2624 CD1 LEU B 77 -8.083 4.424 -4.963 1.00 0.00 C ATOM 2625 CD2 LEU B 77 -9.275 2.963 -3.334 1.00 0.00 C ATOM 0 H LEU B 77 -5.460 0.376 -4.868 1.00 0.00 H new ATOM 0 HA LEU B 77 -5.425 3.150 -5.232 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -7.498 1.789 -5.212 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -7.243 1.358 -3.533 1.00 0.00 H new ATOM 0 HG LEU B 77 -7.328 3.905 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -8.646 5.283 -4.598 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -7.107 4.754 -5.320 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -8.629 3.954 -5.781 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -9.850 3.834 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -9.800 2.456 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -9.159 2.280 -2.492 1.00 0.00 H new ATOM 2637 N VAL B 78 -4.991 2.259 -2.054 1.00 0.00 N ATOM 2638 CA VAL B 78 -4.508 2.826 -0.791 1.00 0.00 C ATOM 2639 C VAL B 78 -3.031 3.181 -0.859 1.00 0.00 C ATOM 2640 O VAL B 78 -2.602 4.179 -0.274 1.00 0.00 O ATOM 2641 CB VAL B 78 -4.752 1.904 0.422 1.00 0.00 C ATOM 2642 CG1 VAL B 78 -6.247 1.665 0.599 1.00 0.00 C ATOM 2643 CG2 VAL B 78 -4.025 0.558 0.268 1.00 0.00 C ATOM 0 H VAL B 78 -5.240 1.270 -2.032 1.00 0.00 H new ATOM 0 HA VAL B 78 -5.093 3.734 -0.646 1.00 0.00 H new ATOM 0 HB VAL B 78 -4.351 2.402 1.305 1.00 0.00 H new ATOM 0 HG11 VAL B 78 -6.412 1.013 1.457 1.00 0.00 H new ATOM 0 HG12 VAL B 78 -6.751 2.617 0.764 1.00 0.00 H new ATOM 0 HG13 VAL B 78 -6.649 1.193 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL B 78 -4.221 -0.063 1.142 1.00 0.00 H new ATOM 0 HG22 VAL B 78 -4.385 0.050 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL B 78 -2.953 0.732 0.180 1.00 0.00 H new ATOM 2653 N ALA B 79 -2.242 2.374 -1.560 1.00 0.00 N ATOM 2654 CA ALA B 79 -0.807 2.670 -1.639 1.00 0.00 C ATOM 2655 C ALA B 79 -0.528 3.941 -2.451 1.00 0.00 C ATOM 2656 O ALA B 79 0.205 4.852 -2.007 1.00 0.00 O ATOM 2657 CB ALA B 79 -0.070 1.483 -2.256 1.00 0.00 C ATOM 0 H ALA B 79 -2.549 1.542 -2.064 1.00 0.00 H new ATOM 0 HA ALA B 79 -0.446 2.843 -0.625 1.00 0.00 H new ATOM 0 HB1 ALA B 79 0.995 1.706 -2.313 1.00 0.00 H new ATOM 0 HB2 ALA B 79 -0.223 0.599 -1.638 1.00 0.00 H new ATOM 0 HB3 ALA B 79 -0.456 1.296 -3.258 1.00 0.00 H new ATOM 2663 N ALA B 80 -1.131 4.010 -3.634 1.00 0.00 N ATOM 2664 CA ALA B 80 -0.956 5.165 -4.491 1.00 0.00 C ATOM 2665 C ALA B 80 -1.517 6.391 -3.789 1.00 0.00 C ATOM 2666 O ALA B 80 -0.927 7.472 -3.817 1.00 0.00 O ATOM 2667 CB ALA B 80 -1.662 4.939 -5.828 1.00 0.00 C ATOM 0 H ALA B 80 -1.739 3.284 -4.014 1.00 0.00 H new ATOM 0 HA ALA B 80 0.104 5.319 -4.690 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -1.524 5.813 -6.465 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -1.239 4.062 -6.319 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -2.726 4.780 -5.655 1.00 0.00 H new ATOM 2673 N LEU B 81 -2.640 6.212 -3.098 1.00 0.00 N ATOM 2674 CA LEU B 81 -3.189 7.320 -2.345 1.00 0.00 C ATOM 2675 C LEU B 81 -2.239 7.694 -1.219 1.00 0.00 C ATOM 2676 O LEU B 81 -2.132 8.856 -0.875 1.00 0.00 O ATOM 2677 CB LEU B 81 -4.599 7.029 -1.812 1.00 0.00 C ATOM 2678 CG LEU B 81 -5.666 7.443 -2.859 1.00 0.00 C ATOM 2679 CD1 LEU B 81 -5.584 6.583 -4.121 1.00 0.00 C ATOM 2680 CD2 LEU B 81 -7.076 7.306 -2.261 1.00 0.00 C ATOM 0 H LEU B 81 -3.167 5.340 -3.047 1.00 0.00 H new ATOM 0 HA LEU B 81 -3.291 8.167 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.697 5.968 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -4.763 7.572 -0.881 1.00 0.00 H new ATOM 0 HG LEU B 81 -5.468 8.480 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -6.347 6.904 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -4.599 6.694 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -5.748 5.537 -3.860 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -7.817 7.599 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -7.247 6.271 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -7.165 7.951 -1.387 1.00 0.00 H new ATOM 2692 N THR B 82 -1.553 6.707 -0.633 1.00 0.00 N ATOM 2693 CA THR B 82 -0.622 7.012 0.454 1.00 0.00 C ATOM 2694 C THR B 82 0.515 7.915 -0.032 1.00 0.00 C ATOM 2695 O THR B 82 0.796 8.968 0.572 1.00 0.00 O ATOM 2696 CB THR B 82 -0.030 5.702 0.991 1.00 0.00 C ATOM 2697 OG1 THR B 82 -1.082 4.815 1.339 1.00 0.00 O ATOM 2698 CG2 THR B 82 0.824 5.978 2.229 1.00 0.00 C ATOM 0 H THR B 82 -1.621 5.721 -0.884 1.00 0.00 H new ATOM 0 HA THR B 82 -1.167 7.535 1.240 1.00 0.00 H new ATOM 0 HB THR B 82 0.594 5.253 0.218 1.00 0.00 H new ATOM 0 HG1 THR B 82 -1.511 4.481 0.524 1.00 0.00 H new ATOM 0 HG21 THR B 82 1.239 5.041 2.601 1.00 0.00 H new ATOM 0 HG22 THR B 82 1.636 6.656 1.967 1.00 0.00 H new ATOM 0 HG23 THR B 82 0.206 6.434 3.003 1.00 0.00 H new ATOM 2706 N VAL B 83 1.157 7.526 -1.137 1.00 0.00 N ATOM 2707 CA VAL B 83 2.247 8.362 -1.664 1.00 0.00 C ATOM 2708 C VAL B 83 1.724 9.726 -2.113 1.00 0.00 C ATOM 2709 O VAL B 83 2.358 10.762 -1.865 1.00 0.00 O ATOM 2710 CB VAL B 83 3.030 7.661 -2.799 1.00 0.00 C ATOM 2711 CG1 VAL B 83 2.157 7.434 -4.032 1.00 0.00 C ATOM 2712 CG2 VAL B 83 4.214 8.545 -3.210 1.00 0.00 C ATOM 0 H VAL B 83 0.957 6.678 -1.666 1.00 0.00 H new ATOM 0 HA VAL B 83 2.951 8.519 -0.847 1.00 0.00 H new ATOM 0 HB VAL B 83 3.366 6.694 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL B 83 2.743 6.940 -4.807 1.00 0.00 H new ATOM 0 HG12 VAL B 83 1.306 6.807 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL B 83 1.798 8.393 -4.405 1.00 0.00 H new ATOM 0 HG21 VAL B 83 4.771 8.058 -4.010 1.00 0.00 H new ATOM 0 HG22 VAL B 83 3.844 9.509 -3.560 1.00 0.00 H new ATOM 0 HG23 VAL B 83 4.869 8.698 -2.352 1.00 0.00 H new ATOM 2722 N ALA B 84 0.548 9.735 -2.737 1.00 0.00 N ATOM 2723 CA ALA B 84 -0.048 10.986 -3.175 1.00 0.00 C ATOM 2724 C ALA B 84 -0.414 11.839 -1.971 1.00 0.00 C ATOM 2725 O ALA B 84 -0.415 13.065 -2.042 1.00 0.00 O ATOM 2726 CB ALA B 84 -1.288 10.714 -4.021 1.00 0.00 C ATOM 0 H ALA B 84 -0.001 8.901 -2.946 1.00 0.00 H new ATOM 0 HA ALA B 84 0.678 11.525 -3.783 1.00 0.00 H new ATOM 0 HB1 ALA B 84 -1.724 11.660 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA B 84 -1.010 10.127 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA B 84 -2.017 10.160 -3.430 1.00 0.00 H new ATOM 2732 N CYS B 85 -0.737 11.171 -0.869 1.00 0.00 N ATOM 2733 CA CYS B 85 -1.116 11.860 0.349 1.00 0.00 C ATOM 2734 C CYS B 85 0.079 12.582 0.922 1.00 0.00 C ATOM 2735 O CYS B 85 0.034 13.793 1.136 1.00 0.00 O ATOM 2736 CB CYS B 85 -1.652 10.869 1.385 1.00 0.00 C ATOM 2737 SG CYS B 85 -2.404 11.784 2.754 1.00 0.00 S ATOM 0 H CYS B 85 -0.743 10.153 -0.799 1.00 0.00 H new ATOM 0 HA CYS B 85 -1.900 12.578 0.108 1.00 0.00 H new ATOM 0 HB2 CYS B 85 -2.388 10.208 0.927 1.00 0.00 H new ATOM 0 HB3 CYS B 85 -0.843 10.238 1.755 1.00 0.00 H new ATOM 2742 N ASN B 86 1.165 11.852 1.163 1.00 0.00 N ATOM 2743 CA ASN B 86 2.339 12.518 1.698 1.00 0.00 C ATOM 2744 C ASN B 86 2.740 13.639 0.749 1.00 0.00 C ATOM 2745 O ASN B 86 3.083 14.747 1.182 1.00 0.00 O ATOM 2746 CB ASN B 86 3.498 11.539 1.871 1.00 0.00 C ATOM 2747 CG ASN B 86 4.593 12.193 2.709 1.00 0.00 C ATOM 2748 OD1 ASN B 86 4.541 13.396 2.967 1.00 0.00 O ATOM 2749 ND2 ASN B 86 5.577 11.470 3.169 1.00 0.00 N ATOM 0 H ASN B 86 1.254 10.848 1.005 1.00 0.00 H new ATOM 0 HA ASN B 86 2.100 12.925 2.681 1.00 0.00 H new ATOM 0 HB2 ASN B 86 3.149 10.627 2.356 1.00 0.00 H new ATOM 0 HB3 ASN B 86 3.893 11.251 0.897 1.00 0.00 H new ATOM 0 HD21 ASN B 86 6.302 11.901 3.742 1.00 0.00 H new ATOM 0 HD22 ASN B 86 5.621 10.473 2.956 1.00 0.00 H new ATOM 2756 N ASN B 87 2.657 13.359 -0.555 1.00 0.00 N ATOM 2757 CA ASN B 87 2.979 14.370 -1.552 1.00 0.00 C ATOM 2758 C ASN B 87 2.069 15.577 -1.375 1.00 0.00 C ATOM 2759 O ASN B 87 2.497 16.720 -1.522 1.00 0.00 O ATOM 2760 CB ASN B 87 2.791 13.785 -2.954 1.00 0.00 C ATOM 2761 CG ASN B 87 3.797 12.663 -3.189 1.00 0.00 C ATOM 2762 OD1 ASN B 87 4.792 12.561 -2.472 1.00 0.00 O ATOM 2763 ND2 ASN B 87 3.595 11.811 -4.156 1.00 0.00 N ATOM 0 H ASN B 87 2.374 12.456 -0.935 1.00 0.00 H new ATOM 0 HA ASN B 87 4.016 14.682 -1.426 1.00 0.00 H new ATOM 0 HB2 ASN B 87 1.776 13.404 -3.065 1.00 0.00 H new ATOM 0 HB3 ASN B 87 2.922 14.565 -3.704 1.00 0.00 H new ATOM 0 HD21 ASN B 87 4.263 11.057 -4.320 1.00 0.00 H new ATOM 0 HD22 ASN B 87 2.769 11.898 -4.748 1.00 0.00 H new ATOM 2770 N PHE B 88 0.808 15.307 -1.050 1.00 0.00 N ATOM 2771 CA PHE B 88 -0.163 16.371 -0.843 1.00 0.00 C ATOM 2772 C PHE B 88 0.217 17.243 0.348 1.00 0.00 C ATOM 2773 O PHE B 88 0.150 18.467 0.278 1.00 0.00 O ATOM 2774 CB PHE B 88 -1.553 15.773 -0.618 1.00 0.00 C ATOM 2775 CG PHE B 88 -2.571 16.885 -0.534 1.00 0.00 C ATOM 2776 CD1 PHE B 88 -3.132 17.410 -1.705 1.00 0.00 C ATOM 2777 CD2 PHE B 88 -2.954 17.392 0.713 1.00 0.00 C ATOM 2778 CE1 PHE B 88 -4.075 18.441 -1.628 1.00 0.00 C ATOM 2779 CE2 PHE B 88 -3.897 18.423 0.790 1.00 0.00 C ATOM 2780 CZ PHE B 88 -4.458 18.947 -0.381 1.00 0.00 C ATOM 0 H PHE B 88 0.438 14.365 -0.925 1.00 0.00 H new ATOM 0 HA PHE B 88 -0.172 16.996 -1.736 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -1.805 15.095 -1.433 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -1.564 15.185 0.300 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -2.837 17.019 -2.668 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -2.522 16.987 1.616 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -4.507 18.846 -2.531 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -4.192 18.814 1.752 1.00 0.00 H new ATOM 0 HZ PHE B 88 -5.187 19.742 -0.322 1.00 0.00 H new ATOM 2790 N PHE B 89 0.589 16.607 1.455 1.00 0.00 N ATOM 2791 CA PHE B 89 0.946 17.357 2.652 1.00 0.00 C ATOM 2792 C PHE B 89 2.192 18.212 2.434 1.00 0.00 C ATOM 2793 O PHE B 89 2.182 19.413 2.705 1.00 0.00 O ATOM 2794 CB PHE B 89 1.190 16.391 3.812 1.00 0.00 C ATOM 2795 CG PHE B 89 1.431 17.176 5.079 1.00 0.00 C ATOM 2796 CD1 PHE B 89 0.346 17.614 5.849 1.00 0.00 C ATOM 2797 CD2 PHE B 89 2.739 17.466 5.486 1.00 0.00 C ATOM 2798 CE1 PHE B 89 0.569 18.341 7.024 1.00 0.00 C ATOM 2799 CE2 PHE B 89 2.962 18.194 6.661 1.00 0.00 C ATOM 2800 CZ PHE B 89 1.877 18.631 7.430 1.00 0.00 C ATOM 0 H PHE B 89 0.650 15.593 1.547 1.00 0.00 H new ATOM 0 HA PHE B 89 0.116 18.023 2.886 1.00 0.00 H new ATOM 0 HB2 PHE B 89 0.331 15.732 3.938 1.00 0.00 H new ATOM 0 HB3 PHE B 89 2.049 15.756 3.596 1.00 0.00 H new ATOM 0 HD1 PHE B 89 -0.663 17.391 5.536 1.00 0.00 H new ATOM 0 HD2 PHE B 89 3.576 17.128 4.893 1.00 0.00 H new ATOM 0 HE1 PHE B 89 -0.268 18.678 7.617 1.00 0.00 H new ATOM 0 HE2 PHE B 89 3.971 18.418 6.974 1.00 0.00 H new ATOM 0 HZ PHE B 89 2.049 19.192 8.337 1.00 0.00 H new ATOM 2810 N TRP B 90 3.265 17.594 1.939 1.00 0.00 N ATOM 2811 CA TRP B 90 4.498 18.329 1.688 1.00 0.00 C ATOM 2812 C TRP B 90 4.333 19.365 0.593 1.00 0.00 C ATOM 2813 O TRP B 90 4.906 20.452 0.653 1.00 0.00 O ATOM 2814 CB TRP B 90 5.627 17.387 1.303 1.00 0.00 C ATOM 2815 CG TRP B 90 6.853 18.213 1.132 1.00 0.00 C ATOM 2816 CD1 TRP B 90 7.100 18.966 0.047 1.00 0.00 C ATOM 2817 CD2 TRP B 90 7.984 18.396 2.030 1.00 0.00 C ATOM 2818 NE1 TRP B 90 8.311 19.608 0.210 1.00 0.00 N ATOM 2819 CE2 TRP B 90 8.900 19.285 1.418 1.00 0.00 C ATOM 2820 CE3 TRP B 90 8.305 17.882 3.299 1.00 0.00 C ATOM 2821 CZ2 TRP B 90 10.092 19.653 2.043 1.00 0.00 C ATOM 2822 CZ3 TRP B 90 9.504 18.251 3.932 1.00 0.00 C ATOM 2823 CH2 TRP B 90 10.395 19.134 3.305 1.00 0.00 C ATOM 0 H TRP B 90 3.303 16.601 1.708 1.00 0.00 H new ATOM 0 HA TRP B 90 4.744 18.840 2.619 1.00 0.00 H new ATOM 0 HB2 TRP B 90 5.777 16.631 2.074 1.00 0.00 H new ATOM 0 HB3 TRP B 90 5.388 16.858 0.380 1.00 0.00 H new ATOM 0 HD1 TRP B 90 6.455 19.055 -0.814 1.00 0.00 H new ATOM 0 HE1 TRP B 90 8.720 20.242 -0.476 1.00 0.00 H new ATOM 0 HE3 TRP B 90 7.626 17.200 3.790 1.00 0.00 H new ATOM 0 HZ2 TRP B 90 10.775 20.333 1.556 1.00 0.00 H new ATOM 0 HZ3 TRP B 90 9.741 17.852 4.907 1.00 0.00 H new ATOM 0 HH2 TRP B 90 11.315 19.413 3.797 1.00 0.00 H new ATOM 2834 N GLU B 91 3.594 18.988 -0.436 1.00 0.00 N ATOM 2835 CA GLU B 91 3.403 19.848 -1.591 1.00 0.00 C ATOM 2836 C GLU B 91 2.019 20.491 -1.598 1.00 0.00 C ATOM 2837 O GLU B 91 1.026 19.855 -1.263 1.00 0.00 O ATOM 2838 CB GLU B 91 3.599 18.984 -2.839 1.00 0.00 C ATOM 2839 CG GLU B 91 4.241 19.809 -3.961 1.00 0.00 C ATOM 2840 CD GLU B 91 3.260 20.863 -4.462 1.00 0.00 C ATOM 2841 OE1 GLU B 91 2.087 20.751 -4.144 1.00 0.00 O ATOM 2842 OE2 GLU B 91 3.694 21.767 -5.157 1.00 0.00 O ATOM 0 H GLU B 91 3.115 18.089 -0.495 1.00 0.00 H new ATOM 0 HA GLU B 91 4.123 20.666 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU B 91 4.230 18.127 -2.601 1.00 0.00 H new ATOM 0 HB3 GLU B 91 2.639 18.590 -3.172 1.00 0.00 H new ATOM 0 HG2 GLU B 91 5.149 20.290 -3.596 1.00 0.00 H new ATOM 0 HG3 GLU B 91 4.535 19.155 -4.782 1.00 0.00 H new ATOM 2849 N ASN B 92 1.964 21.760 -1.993 1.00 0.00 N ATOM 2850 CA ASN B 92 0.698 22.485 -2.049 1.00 0.00 C ATOM 2851 C ASN B 92 0.234 22.638 -3.494 1.00 0.00 C ATOM 2852 O ASN B 92 1.031 22.930 -4.385 1.00 0.00 O ATOM 2853 CB ASN B 92 0.860 23.867 -1.415 1.00 0.00 C ATOM 2854 CG ASN B 92 1.290 23.724 0.041 1.00 0.00 C ATOM 2855 OD1 ASN B 92 2.196 24.425 0.493 1.00 0.00 O ATOM 2856 ND2 ASN B 92 0.692 22.852 0.806 1.00 0.00 N ATOM 0 H ASN B 92 2.777 22.306 -2.278 1.00 0.00 H new ATOM 0 HA ASN B 92 -0.050 21.917 -1.496 1.00 0.00 H new ATOM 0 HB2 ASN B 92 1.601 24.445 -1.967 1.00 0.00 H new ATOM 0 HB3 ASN B 92 -0.080 24.416 -1.473 1.00 0.00 H new ATOM 0 HD21 ASN B 92 0.975 22.750 1.781 1.00 0.00 H new ATOM 0 HD22 ASN B 92 -0.058 22.273 0.429 1.00 0.00 H new ATOM 2863 N SER B 93 -1.061 22.438 -3.719 1.00 0.00 N ATOM 2864 CA SER B 93 -1.620 22.556 -5.060 1.00 0.00 C ATOM 2865 C SER B 93 -3.141 22.439 -5.021 1.00 0.00 C ATOM 2866 O SER B 93 -3.758 22.631 -6.056 1.00 0.00 O ATOM 2867 CB SER B 93 -1.046 21.464 -5.963 1.00 0.00 C ATOM 2868 OG SER B 93 -1.861 21.335 -7.121 1.00 0.00 O ATOM 0 H SER B 93 -1.738 22.195 -2.996 1.00 0.00 H new ATOM 0 HA SER B 93 -1.353 23.535 -5.458 1.00 0.00 H new ATOM 0 HB2 SER B 93 -0.024 21.713 -6.249 1.00 0.00 H new ATOM 0 HB3 SER B 93 -1.005 20.516 -5.426 1.00 0.00 H new ATOM 0 HG SER B 93 -2.520 22.060 -7.140 1.00 0.00 H new TER 2874 SER B 93 HETATM 2875 N HCS A 201 0.791 -13.146 9.995 1.00 0.00 N HETATM 2876 CA HCS A 201 1.662 -13.249 8.790 1.00 0.00 C HETATM 2877 CB HCS A 201 1.428 -12.034 7.888 1.00 0.00 C HETATM 2878 CG HCS A 201 0.081 -12.176 7.174 1.00 0.00 C HETATM 2879 SD HCS A 201 -0.037 -10.943 5.854 1.00 0.00 S HETATM 2880 C HCS A 201 3.123 -13.299 9.224 1.00 0.00 C HETATM 2881 OXT HCS A 201 3.508 -14.290 9.822 1.00 0.00 O HETATM 2882 O HCS A 201 3.835 -12.346 8.953 1.00 0.00 O HETATM 0 HG3 HCS A 201 -0.018 -13.179 6.759 1.00 0.00 H new HETATM 0 HG2 HCS A 201 -0.735 -12.043 7.884 1.00 0.00 H new HETATM 0 HCA HCS A 201 1.420 -14.157 8.238 1.00 0.00 H new HETATM 0 HB3 HCS A 201 1.442 -11.120 8.481 1.00 0.00 H new HETATM 0 HB2 HCS A 201 2.232 -11.951 7.156 1.00 0.00 H new HETATM 0 H2 HCS A 201 0.818 -13.875 10.708 1.00 0.00 H new HETATM 0 H HCS A 201 0.168 -12.346 10.107 1.00 0.00 H new HETATM 2891 CA CA A 202 16.907 8.556 1.889 1.00 0.00 CA HETATM 2892 CA CA A 203 13.819 4.287 -9.437 1.00 0.00 CA HETATM 2893 N HCS B 201 -2.752 14.307 7.812 1.00 0.00 N HETATM 2894 CA HCS B 201 -3.339 14.243 6.444 1.00 0.00 C HETATM 2895 CB HCS B 201 -2.932 12.926 5.778 1.00 0.00 C HETATM 2896 CG HCS B 201 -1.461 12.995 5.360 1.00 0.00 C HETATM 2897 SD HCS B 201 -1.077 11.604 4.266 1.00 0.00 S HETATM 2898 C HCS B 201 -4.859 14.328 6.540 1.00 0.00 C HETATM 2899 OXT HCS B 201 -5.351 15.382 6.908 1.00 0.00 O HETATM 2900 O HCS B 201 -5.508 13.338 6.247 1.00 0.00 O HETATM 0 HG3 HCS B 201 -1.261 13.938 4.851 1.00 0.00 H new HETATM 0 HG2 HCS B 201 -0.820 12.966 6.241 1.00 0.00 H new HETATM 0 HCA HCS B 201 -2.970 15.077 5.846 1.00 0.00 H new HETATM 0 HB3 HCS B 201 -3.086 12.096 6.467 1.00 0.00 H new HETATM 0 HB2 HCS B 201 -3.560 12.738 4.907 1.00 0.00 H new HETATM 0 H2 HCS B 201 -2.922 15.121 8.402 1.00 0.00 H new HETATM 0 H HCS B 201 -2.180 13.537 8.158 1.00 0.00 H new HETATM 2909 CA CA B 202 -17.033 -8.484 -0.735 1.00 0.00 CA HETATM 2910 CA CA B 203 -11.506 -5.658 -11.576 1.00 0.00 CA