USER MOD reduce.3.24.130724 H: found=0, std=0, add=1822, rem=0, adj=62 USER MOD reduce.3.24.130724 removed 1822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 91 HIS : no HE2:sc= 1.15 K(o=-0.75,f=-7.8!) USER MOD Set 1.2: B 94 MET CE :methyl -167:sc= -1.9! (180deg=-2.01) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 175:sc= 0.629 (180deg=0) USER MOD Set 2.2: B 46 GLN : amide:sc= 0.816 K(o=1.4,f=-1.1) USER MOD Set 3.1: A 18 THR OG1 : rot 74:sc= 1.27 USER MOD Set 3.2: B 7 GLN : amide:sc= -1.08 K(o=0.19,f=1.2) USER MOD Set 4.1: A 46 GLN : amide:sc= 0.811 K(o=1.5,f=-2.2) USER MOD Set 4.2: B 4 LYS NZ :NH3+ 177:sc= 0.696 (180deg=0) USER MOD Set 5.1: A 91 HIS : no HE2:sc= 1.02 K(o=-1.4,f=-8.3!) USER MOD Set 5.2: A 94 MET CE :methyl -168:sc= -2.41! (180deg=-2.78) USER MOD Set 6.1: A 14 THR OG1 : rot 70:sc= 1.07 USER MOD Set 6.2: B 11 ASN : amide:sc= -6.06! C(o=-5!,f=-0.89!) USER MOD Set 7.1: A 11 ASN : amide:sc= -5.97! C(o=-4.9!,f=-0.84!) USER MOD Set 7.2: B 14 THR OG1 : rot 71:sc= 1.04 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0578 (180deg=-0.413) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 51:sc= 0.149 USER MOD Single : A 5 MET CE :methyl 174:sc= -1.69 (180deg=-1.91) USER MOD Single : A 6 SER OG : rot -93:sc= 1.03 USER MOD Single : A 7 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.0085) USER MOD Single : A 17 ASN : amide:sc= -1.58! K(o=-1.6!,f=-0.81) USER MOD Single : A 20 HIS : no HE2:sc= 0.662 K(o=0.66,f=-7.4!) USER MOD Single : A 21 GLN : amide:sc= -0.158 K(o=-0.16,f=-2.2!) USER MOD Single : A 22 TYR OH : rot -133:sc= 1.26 USER MOD Single : A 23 SER OG : rot 55:sc= -0.176 USER MOD Single : A 25 LYS NZ :NH3+ -114:sc= -0.171 (180deg=-1.09) USER MOD Single : A 28 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.34) USER MOD Single : A 31 THR OG1 : rot -98:sc= -4.57! USER MOD Single : A 33 ASN : amide:sc= -0.278 K(o=-0.28,f=-7.3!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 171:sc= 1.31 (180deg=1.14) USER MOD Single : A 43 LYS NZ :NH3+ -148:sc= -1.17 (180deg=-3.36!) USER MOD Single : A 47 ASN : amide:sc= -4.33! C(o=-4.3!,f=-14!) USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= 1.94 (180deg=1.83) USER MOD Single : A 51 LYS NZ :NH3+ 176:sc= -1.68! (180deg=-1.72!) USER MOD Single : A 53 ASN : amide:sc= -3.46! C(o=-3.5!,f=-2!) USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= -0.0214 (180deg=-0.25) USER MOD Single : A 55 ASN : amide:sc= -0.938 K(o=-0.94,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl -133:sc= -1.75 (180deg=-4.93!) USER MOD Single : A 68 THR OG1 : rot -10:sc= 1.14 USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= 0.638 (180deg=0.0774) USER MOD Single : A 73 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.73) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0248 USER MOD Single : A 81 MET CE :methyl 161:sc= -0.144 (180deg=-0.699) USER MOD Single : A 83 MET CE :methyl -158:sc= -2.4 (180deg=-3.63!) USER MOD Single : A 87 THR OG1 : rot 62:sc= 1.27 USER MOD Single : A 90 SER OG : rot 73:sc= 0.663 USER MOD Single : A 93 LYS NZ :NH3+ -164:sc= 1.22 (180deg=0.0272!) USER MOD Single : A 95 HIS : no HD1:sc= -0.023 X(o=-0.023,f=-0.0071) USER MOD Single : A 103 HIS : no HD1:sc=-0.00757 X(o=-0.0076,f=-0.0076) USER MOD Single : A 104 HIS : no HD1:sc= -0.0308 X(o=-0.031,f=-0.031) USER MOD Single : A 105 HIS : no HD1:sc= -3.34 K(o=-3.3,f=-1.5) USER MOD Single : A 106 LYS NZ :NH3+ 137:sc= -0.0915 (180deg=-0.437) USER MOD Single : A 113 THR OG1 : rot 42:sc= 0.093 USER MOD Single : B 1 MET CE :methyl -164:sc= -0.0692 (180deg=-0.419) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 50:sc= 0.134 USER MOD Single : B 5 MET CE :methyl 175:sc= -1.72 (180deg=-2.01) USER MOD Single : B 6 SER OG : rot -88:sc= 1.05 USER MOD Single : B 17 ASN : amide:sc= -1.75! K(o=-1.8!,f=-0.93) USER MOD Single : B 18 THR OG1 : rot 81:sc= 1.31 USER MOD Single : B 20 HIS : no HE2:sc= 0.898 K(o=0.9,f=-7.5!) USER MOD Single : B 21 GLN : amide:sc= -0.145 K(o=-0.15,f=-2.2!) USER MOD Single : B 22 TYR OH : rot -165:sc= 1.23 USER MOD Single : B 23 SER OG : rot 51:sc= -0.261 USER MOD Single : B 25 LYS NZ :NH3+ -121:sc= -0.206 (180deg=-1.17) USER MOD Single : B 28 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.36) USER MOD Single : B 31 THR OG1 : rot -96:sc= -4.71! USER MOD Single : B 33 ASN : amide:sc= -0.317 K(o=-0.32,f=-7.2!) USER MOD Single : B 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.2) USER MOD Single : B 43 LYS NZ :NH3+ -146:sc= -1.02 (180deg=-3.38!) USER MOD Single : B 47 ASN : amide:sc= -3.44! C(o=-3.4!,f=-14!) USER MOD Single : B 50 LYS NZ :NH3+ 170:sc= 1.89 (180deg=1.75) USER MOD Single : B 51 LYS NZ :NH3+ 176:sc= -1.64! (180deg=-1.73!) USER MOD Single : B 53 ASN : amide:sc= -3.56! C(o=-3.6!,f=-2!) USER MOD Single : B 54 LYS NZ :NH3+ -167:sc= -0.0396 (180deg=-0.26) USER MOD Single : B 55 ASN : amide:sc= -0.936 K(o=-0.94,f=-0.009) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 63 MET CE :methyl -135:sc= -1.86 (180deg=-4.85!) USER MOD Single : B 68 THR OG1 : rot -9:sc= 1.07 USER MOD Single : B 69 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : B 72 LYS NZ :NH3+ 149:sc= 0.707 (180deg=0.0801) USER MOD Single : B 73 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.72) USER MOD Single : B 75 SER OG : rot 180:sc= -0.0484 USER MOD Single : B 81 MET CE :methyl 162:sc= -0.0899 (180deg=-0.646) USER MOD Single : B 83 MET CE :methyl -159:sc= -2.41! (180deg=-3.66!) USER MOD Single : B 87 THR OG1 : rot 63:sc= 1.28 USER MOD Single : B 90 SER OG : rot 73:sc= 0.656 USER MOD Single : B 93 LYS NZ :NH3+ -159:sc= 1.22 (180deg=0.0898!) USER MOD Single : B 95 HIS : no HD1:sc= -0.0381 X(o=-0.038,f=0.00029) USER MOD Single : B 103 HIS : no HD1:sc=-0.00395 X(o=-0.004,f=-0.004) USER MOD Single : B 104 HIS : no HD1:sc= -0.0303 X(o=-0.03,f=-0.029) USER MOD Single : B 105 HIS : no HD1:sc= -3.38 K(o=-3.4,f=-1.4) USER MOD Single : B 106 LYS NZ :NH3+ 163:sc= -0.101 (180deg=-0.434) USER MOD Single : B 113 THR OG1 : rot 33:sc= 0.104 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.468 -11.198 -19.036 1.00 8.35 N ATOM 2 CA MET A 1 14.499 -10.378 -18.278 1.00 7.73 C ATOM 3 C MET A 1 15.018 -8.954 -18.111 1.00 6.81 C ATOM 4 O MET A 1 15.823 -8.675 -17.218 1.00 6.74 O ATOM 5 CB MET A 1 14.229 -10.996 -16.903 1.00 8.16 C ATOM 6 CG MET A 1 13.278 -10.174 -16.043 1.00 8.00 C ATOM 7 SD MET A 1 12.995 -10.901 -14.416 1.00 8.58 S ATOM 8 CE MET A 1 12.137 -12.409 -14.863 1.00 9.06 C ATOM 0 H1 MET A 1 15.098 -12.164 -19.140 1.00 8.35 H new ATOM 0 H2 MET A 1 15.615 -10.780 -19.977 1.00 8.35 H new ATOM 0 H3 MET A 1 16.373 -11.227 -18.525 1.00 8.35 H new ATOM 0 HA MET A 1 13.566 -10.350 -18.841 1.00 7.73 H new ATOM 0 HB2 MET A 1 13.813 -11.995 -17.038 1.00 8.16 H new ATOM 0 HB3 MET A 1 15.175 -11.113 -16.374 1.00 8.16 H new ATOM 0 HG2 MET A 1 13.683 -9.169 -15.921 1.00 8.00 H new ATOM 0 HG3 MET A 1 12.324 -10.072 -16.561 1.00 8.00 H new ATOM 0 HE1 MET A 1 11.633 -12.815 -13.986 1.00 9.06 H new ATOM 0 HE2 MET A 1 11.400 -12.193 -15.637 1.00 9.06 H new ATOM 0 HE3 MET A 1 12.855 -13.138 -15.239 1.00 9.06 H new ATOM 20 N THR A 2 14.561 -8.060 -18.977 1.00 6.39 N ATOM 21 CA THR A 2 14.937 -6.659 -18.892 1.00 5.75 C ATOM 22 C THR A 2 14.148 -5.969 -17.780 1.00 4.74 C ATOM 23 O THR A 2 14.675 -5.116 -17.062 1.00 4.68 O ATOM 24 CB THR A 2 14.726 -5.925 -20.244 1.00 6.38 C ATOM 25 OG1 THR A 2 15.103 -4.547 -20.132 1.00 6.67 O ATOM 26 CG2 THR A 2 13.282 -6.020 -20.715 1.00 6.86 C ATOM 0 H THR A 2 13.929 -8.282 -19.746 1.00 6.39 H new ATOM 0 HA THR A 2 16.000 -6.612 -18.657 1.00 5.75 H new ATOM 0 HB THR A 2 15.360 -6.417 -20.981 1.00 6.38 H new ATOM 0 HG1 THR A 2 14.965 -4.099 -20.993 1.00 6.67 H new ATOM 0 HG21 THR A 2 13.173 -5.495 -21.664 1.00 6.86 H new ATOM 0 HG22 THR A 2 13.010 -7.067 -20.847 1.00 6.86 H new ATOM 0 HG23 THR A 2 12.626 -5.566 -19.972 1.00 6.86 H new ATOM 34 N SER A 3 12.892 -6.363 -17.619 1.00 4.36 N ATOM 35 CA SER A 3 12.058 -5.811 -16.572 1.00 3.64 C ATOM 36 C SER A 3 12.130 -6.681 -15.324 1.00 2.69 C ATOM 37 O SER A 3 11.276 -7.536 -15.094 1.00 3.05 O ATOM 38 CB SER A 3 10.615 -5.671 -17.064 1.00 4.28 C ATOM 39 OG SER A 3 10.170 -6.867 -17.677 1.00 5.23 O ATOM 0 H SER A 3 12.433 -7.063 -18.202 1.00 4.36 H new ATOM 0 HA SER A 3 12.426 -4.818 -16.313 1.00 3.64 H new ATOM 0 HB2 SER A 3 9.964 -5.423 -16.226 1.00 4.28 H new ATOM 0 HB3 SER A 3 10.547 -4.847 -17.774 1.00 4.28 H new ATOM 0 HG SER A 3 10.346 -7.625 -17.081 1.00 5.23 H new ATOM 45 N LYS A 4 13.188 -6.477 -14.547 1.00 1.92 N ATOM 46 CA LYS A 4 13.355 -7.159 -13.271 1.00 1.23 C ATOM 47 C LYS A 4 12.180 -6.845 -12.347 1.00 1.10 C ATOM 48 O LYS A 4 11.684 -7.707 -11.618 1.00 1.54 O ATOM 49 CB LYS A 4 14.671 -6.716 -12.622 1.00 1.00 C ATOM 50 CG LYS A 4 14.791 -7.126 -11.170 1.00 1.49 C ATOM 51 CD LYS A 4 14.776 -8.637 -11.024 1.00 1.75 C ATOM 52 CE LYS A 4 14.673 -9.056 -9.573 1.00 1.75 C ATOM 53 NZ LYS A 4 14.694 -10.535 -9.422 1.00 2.34 N ATOM 0 H LYS A 4 13.948 -5.839 -14.782 1.00 1.92 H new ATOM 0 HA LYS A 4 13.383 -8.235 -13.441 1.00 1.23 H new ATOM 0 HB2 LYS A 4 15.505 -7.140 -13.182 1.00 1.00 H new ATOM 0 HB3 LYS A 4 14.757 -5.632 -12.694 1.00 1.00 H new ATOM 0 HG2 LYS A 4 15.715 -6.727 -10.752 1.00 1.49 H new ATOM 0 HG3 LYS A 4 13.969 -6.694 -10.598 1.00 1.49 H new ATOM 0 HD2 LYS A 4 13.935 -9.049 -11.583 1.00 1.75 H new ATOM 0 HD3 LYS A 4 15.684 -9.054 -11.460 1.00 1.75 H new ATOM 0 HE2 LYS A 4 15.499 -8.621 -9.010 1.00 1.75 H new ATOM 0 HE3 LYS A 4 13.752 -8.660 -9.145 1.00 1.75 H new ATOM 0 HZ1 LYS A 4 14.707 -10.781 -8.412 1.00 2.34 H new ATOM 0 HZ2 LYS A 4 13.846 -10.941 -9.866 1.00 2.34 H new ATOM 0 HZ3 LYS A 4 15.544 -10.919 -9.882 1.00 2.34 H new ATOM 67 N MET A 5 11.788 -5.584 -12.369 1.00 0.81 N ATOM 68 CA MET A 5 10.596 -5.097 -11.696 1.00 0.70 C ATOM 69 C MET A 5 9.368 -5.971 -11.971 1.00 0.70 C ATOM 70 O MET A 5 9.241 -6.574 -13.037 1.00 0.94 O ATOM 71 CB MET A 5 10.356 -3.669 -12.153 1.00 0.86 C ATOM 72 CG MET A 5 11.288 -2.680 -11.481 1.00 1.05 C ATOM 73 SD MET A 5 11.611 -1.213 -12.486 1.00 1.90 S ATOM 74 CE MET A 5 9.960 -0.544 -12.656 1.00 2.68 C ATOM 0 H MET A 5 12.299 -4.854 -12.865 1.00 0.81 H new ATOM 0 HA MET A 5 10.755 -5.137 -10.618 1.00 0.70 H new ATOM 0 HB2 MET A 5 10.487 -3.610 -13.234 1.00 0.86 H new ATOM 0 HB3 MET A 5 9.323 -3.392 -11.941 1.00 0.86 H new ATOM 0 HG2 MET A 5 10.856 -2.373 -10.529 1.00 1.05 H new ATOM 0 HG3 MET A 5 12.233 -3.175 -11.257 1.00 1.05 H new ATOM 0 HE1 MET A 5 10.009 0.421 -13.161 1.00 2.68 H new ATOM 0 HE2 MET A 5 9.348 -1.230 -13.242 1.00 2.68 H new ATOM 0 HE3 MET A 5 9.516 -0.414 -11.669 1.00 2.68 H new ATOM 84 N SER A 6 8.458 -6.010 -11.004 1.00 0.50 N ATOM 85 CA SER A 6 7.314 -6.905 -11.061 1.00 0.47 C ATOM 86 C SER A 6 6.022 -6.096 -11.052 1.00 0.44 C ATOM 87 O SER A 6 6.063 -4.872 -10.926 1.00 0.48 O ATOM 88 CB SER A 6 7.341 -7.890 -9.884 1.00 0.46 C ATOM 89 OG SER A 6 6.424 -8.956 -10.086 1.00 1.22 O ATOM 0 H SER A 6 8.493 -5.427 -10.168 1.00 0.50 H new ATOM 0 HA SER A 6 7.363 -7.480 -11.986 1.00 0.47 H new ATOM 0 HB2 SER A 6 8.348 -8.290 -9.764 1.00 0.46 H new ATOM 0 HB3 SER A 6 7.095 -7.365 -8.961 1.00 0.46 H new ATOM 0 HG SER A 6 5.567 -8.735 -9.664 1.00 1.22 H new ATOM 95 N GLN A 7 4.880 -6.760 -11.183 1.00 0.42 N ATOM 96 CA GLN A 7 3.614 -6.057 -11.268 1.00 0.41 C ATOM 97 C GLN A 7 3.322 -5.315 -9.975 1.00 0.40 C ATOM 98 O GLN A 7 3.017 -4.126 -9.985 1.00 0.42 O ATOM 99 CB GLN A 7 2.485 -7.041 -11.556 1.00 0.42 C ATOM 100 CG GLN A 7 1.128 -6.375 -11.714 1.00 0.46 C ATOM 101 CD GLN A 7 0.005 -7.367 -11.937 1.00 1.49 C ATOM 102 OE1 GLN A 7 -0.976 -7.066 -12.616 1.00 2.47 O ATOM 103 NE2 GLN A 7 0.129 -8.551 -11.358 1.00 1.85 N ATOM 0 H GLN A 7 4.808 -7.776 -11.232 1.00 0.42 H new ATOM 0 HA GLN A 7 3.681 -5.334 -12.081 1.00 0.41 H new ATOM 0 HB2 GLN A 7 2.718 -7.594 -12.466 1.00 0.42 H new ATOM 0 HB3 GLN A 7 2.432 -7.769 -10.746 1.00 0.42 H new ATOM 0 HG2 GLN A 7 0.913 -5.785 -10.823 1.00 0.46 H new ATOM 0 HG3 GLN A 7 1.165 -5.682 -12.554 1.00 0.46 H new ATOM 0 HE21 GLN A 7 0.958 -8.763 -10.803 1.00 1.85 H new ATOM 0 HE22 GLN A 7 -0.604 -9.251 -11.467 1.00 1.85 H new ATOM 112 N LEU A 8 3.478 -6.009 -8.859 1.00 0.40 N ATOM 113 CA LEU A 8 3.175 -5.426 -7.567 1.00 0.41 C ATOM 114 C LEU A 8 4.169 -4.347 -7.203 1.00 0.41 C ATOM 115 O LEU A 8 3.784 -3.298 -6.705 1.00 0.44 O ATOM 116 CB LEU A 8 3.156 -6.495 -6.485 1.00 0.47 C ATOM 117 CG LEU A 8 1.886 -7.320 -6.425 1.00 0.95 C ATOM 118 CD1 LEU A 8 2.038 -8.459 -5.433 1.00 1.33 C ATOM 119 CD2 LEU A 8 0.727 -6.421 -6.049 1.00 1.81 C ATOM 0 H LEU A 8 3.811 -6.972 -8.824 1.00 0.40 H new ATOM 0 HA LEU A 8 2.186 -4.973 -7.637 1.00 0.41 H new ATOM 0 HB2 LEU A 8 4.001 -7.166 -6.643 1.00 0.47 H new ATOM 0 HB3 LEU A 8 3.306 -6.015 -5.518 1.00 0.47 H new ATOM 0 HG LEU A 8 1.690 -7.760 -7.403 1.00 0.95 H new ATOM 0 HD11 LEU A 8 1.117 -9.041 -5.403 1.00 1.33 H new ATOM 0 HD12 LEU A 8 2.863 -9.102 -5.740 1.00 1.33 H new ATOM 0 HD13 LEU A 8 2.244 -8.054 -4.442 1.00 1.33 H new ATOM 0 HD21 LEU A 8 -0.190 -7.009 -6.004 1.00 1.81 H new ATOM 0 HD22 LEU A 8 0.917 -5.970 -5.075 1.00 1.81 H new ATOM 0 HD23 LEU A 8 0.618 -5.636 -6.797 1.00 1.81 H new ATOM 131 N GLU A 9 5.438 -4.594 -7.479 1.00 0.42 N ATOM 132 CA GLU A 9 6.487 -3.679 -7.089 1.00 0.47 C ATOM 133 C GLU A 9 6.323 -2.332 -7.797 1.00 0.42 C ATOM 134 O GLU A 9 6.331 -1.282 -7.150 1.00 0.43 O ATOM 135 CB GLU A 9 7.839 -4.345 -7.361 1.00 0.61 C ATOM 136 CG GLU A 9 8.998 -3.392 -7.548 1.00 0.78 C ATOM 137 CD GLU A 9 9.067 -2.878 -8.961 1.00 1.45 C ATOM 138 OE1 GLU A 9 9.496 -1.729 -9.172 1.00 2.29 O ATOM 139 OE2 GLU A 9 8.642 -3.623 -9.863 1.00 2.05 O ATOM 0 H GLU A 9 5.764 -5.425 -7.974 1.00 0.42 H new ATOM 0 HA GLU A 9 6.428 -3.459 -6.023 1.00 0.47 H new ATOM 0 HB2 GLU A 9 8.070 -5.015 -6.533 1.00 0.61 H new ATOM 0 HB3 GLU A 9 7.749 -4.963 -8.255 1.00 0.61 H new ATOM 0 HG2 GLU A 9 8.896 -2.553 -6.859 1.00 0.78 H new ATOM 0 HG3 GLU A 9 9.930 -3.898 -7.298 1.00 0.78 H new ATOM 146 N ARG A 10 6.151 -2.367 -9.120 1.00 0.40 N ATOM 147 CA ARG A 10 5.865 -1.160 -9.887 1.00 0.38 C ATOM 148 C ARG A 10 4.630 -0.464 -9.343 1.00 0.35 C ATOM 149 O ARG A 10 4.599 0.757 -9.197 1.00 0.36 O ATOM 150 CB ARG A 10 5.645 -1.500 -11.360 1.00 0.41 C ATOM 151 CG ARG A 10 6.886 -2.019 -12.059 1.00 0.51 C ATOM 152 CD ARG A 10 6.606 -2.352 -13.514 1.00 1.15 C ATOM 153 NE ARG A 10 5.730 -3.517 -13.657 1.00 1.81 N ATOM 154 CZ ARG A 10 4.606 -3.529 -14.378 1.00 2.62 C ATOM 155 NH1 ARG A 10 4.167 -2.418 -14.962 1.00 2.93 N ATOM 156 NH2 ARG A 10 3.918 -4.656 -14.508 1.00 3.54 N ATOM 0 H ARG A 10 6.205 -3.218 -9.679 1.00 0.40 H new ATOM 0 HA ARG A 10 6.723 -0.493 -9.797 1.00 0.38 H new ATOM 0 HB2 ARG A 10 4.856 -2.248 -11.437 1.00 0.41 H new ATOM 0 HB3 ARG A 10 5.292 -0.610 -11.880 1.00 0.41 H new ATOM 0 HG2 ARG A 10 7.677 -1.271 -12.001 1.00 0.51 H new ATOM 0 HG3 ARG A 10 7.250 -2.908 -11.544 1.00 0.51 H new ATOM 0 HD2 ARG A 10 6.145 -1.492 -14.000 1.00 1.15 H new ATOM 0 HD3 ARG A 10 7.548 -2.542 -14.029 1.00 1.15 H new ATOM 0 HE ARG A 10 5.996 -4.375 -13.174 1.00 1.81 H new ATOM 0 HH11 ARG A 10 4.690 -1.548 -14.861 1.00 2.93 H new ATOM 0 HH12 ARG A 10 3.308 -2.436 -15.511 1.00 2.93 H new ATOM 0 HH21 ARG A 10 4.248 -5.510 -14.058 1.00 3.54 H new ATOM 0 HH22 ARG A 10 3.059 -4.669 -15.058 1.00 3.54 H new ATOM 170 N ASN A 11 3.620 -1.259 -9.032 1.00 0.36 N ATOM 171 CA ASN A 11 2.369 -0.743 -8.506 1.00 0.35 C ATOM 172 C ASN A 11 2.573 -0.035 -7.172 1.00 0.33 C ATOM 173 O ASN A 11 1.968 1.006 -6.921 1.00 0.38 O ATOM 174 CB ASN A 11 1.347 -1.872 -8.368 1.00 0.42 C ATOM 175 CG ASN A 11 0.451 -1.987 -9.586 1.00 0.94 C ATOM 176 OD1 ASN A 11 0.813 -2.594 -10.589 1.00 1.69 O ATOM 177 ND2 ASN A 11 -0.739 -1.424 -9.496 1.00 1.71 N ATOM 0 H ASN A 11 3.644 -2.273 -9.136 1.00 0.36 H new ATOM 0 HA ASN A 11 1.986 -0.006 -9.212 1.00 0.35 H new ATOM 0 HB2 ASN A 11 1.870 -2.816 -8.214 1.00 0.42 H new ATOM 0 HB3 ASN A 11 0.734 -1.699 -7.483 1.00 0.42 H new ATOM 0 HD21 ASN A 11 -1.393 -1.486 -10.277 1.00 1.71 H new ATOM 0 HD22 ASN A 11 -1.005 -0.927 -8.646 1.00 1.71 H new ATOM 184 N ILE A 12 3.435 -0.593 -6.332 1.00 0.30 N ATOM 185 CA ILE A 12 3.748 0.004 -5.041 1.00 0.29 C ATOM 186 C ILE A 12 4.506 1.307 -5.242 1.00 0.29 C ATOM 187 O ILE A 12 4.168 2.329 -4.649 1.00 0.31 O ATOM 188 CB ILE A 12 4.593 -0.943 -4.155 1.00 0.28 C ATOM 189 CG1 ILE A 12 3.875 -2.277 -3.960 1.00 0.32 C ATOM 190 CG2 ILE A 12 4.869 -0.300 -2.803 1.00 0.28 C ATOM 191 CD1 ILE A 12 4.750 -3.358 -3.371 1.00 0.31 C ATOM 0 H ILE A 12 3.932 -1.463 -6.523 1.00 0.30 H new ATOM 0 HA ILE A 12 2.802 0.192 -4.532 1.00 0.29 H new ATOM 0 HB ILE A 12 5.542 -1.126 -4.659 1.00 0.28 H new ATOM 0 HG12 ILE A 12 3.014 -2.124 -3.309 1.00 0.32 H new ATOM 0 HG13 ILE A 12 3.491 -2.617 -4.922 1.00 0.32 H new ATOM 0 HG21 ILE A 12 5.464 -0.979 -2.192 1.00 0.28 H new ATOM 0 HG22 ILE A 12 5.416 0.632 -2.948 1.00 0.28 H new ATOM 0 HG23 ILE A 12 3.925 -0.092 -2.300 1.00 0.28 H new ATOM 0 HD11 ILE A 12 4.171 -4.275 -3.262 1.00 0.31 H new ATOM 0 HD12 ILE A 12 5.598 -3.540 -4.032 1.00 0.31 H new ATOM 0 HD13 ILE A 12 5.113 -3.040 -2.394 1.00 0.31 H new ATOM 203 N GLU A 13 5.512 1.262 -6.109 1.00 0.31 N ATOM 204 CA GLU A 13 6.342 2.424 -6.398 1.00 0.34 C ATOM 205 C GLU A 13 5.478 3.572 -6.915 1.00 0.33 C ATOM 206 O GLU A 13 5.633 4.718 -6.484 1.00 0.34 O ATOM 207 CB GLU A 13 7.415 2.050 -7.426 1.00 0.42 C ATOM 208 CG GLU A 13 8.684 2.891 -7.352 1.00 0.72 C ATOM 209 CD GLU A 13 8.495 4.317 -7.817 1.00 1.28 C ATOM 210 OE1 GLU A 13 8.084 4.518 -8.975 1.00 1.93 O ATOM 211 OE2 GLU A 13 8.802 5.244 -7.039 1.00 1.95 O ATOM 0 H GLU A 13 5.773 0.424 -6.628 1.00 0.31 H new ATOM 0 HA GLU A 13 6.834 2.751 -5.482 1.00 0.34 H new ATOM 0 HB2 GLU A 13 7.681 1.002 -7.289 1.00 0.42 H new ATOM 0 HB3 GLU A 13 6.990 2.144 -8.426 1.00 0.42 H new ATOM 0 HG2 GLU A 13 9.045 2.898 -6.324 1.00 0.72 H new ATOM 0 HG3 GLU A 13 9.458 2.420 -7.958 1.00 0.72 H new ATOM 218 N THR A 14 4.552 3.252 -7.820 1.00 0.33 N ATOM 219 CA THR A 14 3.635 4.249 -8.365 1.00 0.34 C ATOM 220 C THR A 14 2.819 4.889 -7.248 1.00 0.33 C ATOM 221 O THR A 14 2.607 6.102 -7.235 1.00 0.34 O ATOM 222 CB THR A 14 2.679 3.636 -9.408 1.00 0.39 C ATOM 223 OG1 THR A 14 3.434 2.979 -10.433 1.00 0.43 O ATOM 224 CG2 THR A 14 1.787 4.705 -10.035 1.00 0.44 C ATOM 0 H THR A 14 4.419 2.311 -8.190 1.00 0.33 H new ATOM 0 HA THR A 14 4.241 5.008 -8.859 1.00 0.34 H new ATOM 0 HB THR A 14 2.042 2.913 -8.899 1.00 0.39 H new ATOM 0 HG1 THR A 14 3.846 2.168 -10.067 1.00 0.43 H new ATOM 0 HG21 THR A 14 1.124 4.243 -10.766 1.00 0.44 H new ATOM 0 HG22 THR A 14 1.192 5.184 -9.258 1.00 0.44 H new ATOM 0 HG23 THR A 14 2.407 5.452 -10.529 1.00 0.44 H new ATOM 232 N ILE A 15 2.380 4.070 -6.304 1.00 0.32 N ATOM 233 CA ILE A 15 1.619 4.563 -5.172 1.00 0.34 C ATOM 234 C ILE A 15 2.473 5.466 -4.303 1.00 0.33 C ATOM 235 O ILE A 15 2.076 6.584 -3.973 1.00 0.36 O ATOM 236 CB ILE A 15 1.047 3.414 -4.322 1.00 0.38 C ATOM 237 CG1 ILE A 15 0.006 2.645 -5.133 1.00 0.40 C ATOM 238 CG2 ILE A 15 0.442 3.940 -3.025 1.00 0.42 C ATOM 239 CD1 ILE A 15 -0.754 1.629 -4.324 1.00 0.38 C ATOM 0 H ILE A 15 2.539 3.062 -6.302 1.00 0.32 H new ATOM 0 HA ILE A 15 0.783 5.136 -5.574 1.00 0.34 H new ATOM 0 HB ILE A 15 1.859 2.738 -4.055 1.00 0.38 H new ATOM 0 HG12 ILE A 15 -0.700 3.353 -5.568 1.00 0.40 H new ATOM 0 HG13 ILE A 15 0.503 2.140 -5.962 1.00 0.40 H new ATOM 0 HG21 ILE A 15 0.046 3.107 -2.444 1.00 0.42 H new ATOM 0 HG22 ILE A 15 1.211 4.452 -2.446 1.00 0.42 H new ATOM 0 HG23 ILE A 15 -0.363 4.637 -3.256 1.00 0.42 H new ATOM 0 HD11 ILE A 15 -1.476 1.121 -4.963 1.00 0.38 H new ATOM 0 HD12 ILE A 15 -0.058 0.899 -3.911 1.00 0.38 H new ATOM 0 HD13 ILE A 15 -1.279 2.130 -3.511 1.00 0.38 H new ATOM 251 N ILE A 16 3.654 4.980 -3.965 1.00 0.31 N ATOM 252 CA ILE A 16 4.575 5.701 -3.108 1.00 0.32 C ATOM 253 C ILE A 16 4.862 7.102 -3.643 1.00 0.30 C ATOM 254 O ILE A 16 4.682 8.079 -2.924 1.00 0.35 O ATOM 255 CB ILE A 16 5.889 4.908 -2.947 1.00 0.33 C ATOM 256 CG1 ILE A 16 5.602 3.597 -2.214 1.00 0.32 C ATOM 257 CG2 ILE A 16 6.933 5.728 -2.201 1.00 0.42 C ATOM 258 CD1 ILE A 16 6.783 2.659 -2.154 1.00 0.34 C ATOM 0 H ILE A 16 4.001 4.073 -4.278 1.00 0.31 H new ATOM 0 HA ILE A 16 4.103 5.810 -2.131 1.00 0.32 H new ATOM 0 HB ILE A 16 6.293 4.685 -3.935 1.00 0.33 H new ATOM 0 HG12 ILE A 16 5.278 3.823 -1.198 1.00 0.32 H new ATOM 0 HG13 ILE A 16 4.773 3.090 -2.707 1.00 0.32 H new ATOM 0 HG21 ILE A 16 7.849 5.146 -2.101 1.00 0.42 H new ATOM 0 HG22 ILE A 16 7.142 6.642 -2.756 1.00 0.42 H new ATOM 0 HG23 ILE A 16 6.556 5.983 -1.211 1.00 0.42 H new ATOM 0 HD11 ILE A 16 6.501 1.752 -1.619 1.00 0.34 H new ATOM 0 HD12 ILE A 16 7.094 2.401 -3.166 1.00 0.34 H new ATOM 0 HD13 ILE A 16 7.608 3.145 -1.633 1.00 0.34 H new ATOM 270 N ASN A 17 5.269 7.213 -4.907 1.00 0.30 N ATOM 271 CA ASN A 17 5.655 8.517 -5.447 1.00 0.34 C ATOM 272 C ASN A 17 4.450 9.448 -5.631 1.00 0.33 C ATOM 273 O ASN A 17 4.578 10.660 -5.462 1.00 0.36 O ATOM 274 CB ASN A 17 6.459 8.398 -6.757 1.00 0.49 C ATOM 275 CG ASN A 17 5.632 8.026 -7.974 1.00 0.98 C ATOM 276 OD1 ASN A 17 5.023 8.887 -8.614 1.00 1.69 O ATOM 277 ND2 ASN A 17 5.644 6.755 -8.335 1.00 1.76 N ATOM 0 H ASN A 17 5.340 6.436 -5.564 1.00 0.30 H new ATOM 0 HA ASN A 17 6.311 8.966 -4.701 1.00 0.34 H new ATOM 0 HB2 ASN A 17 6.958 9.348 -6.949 1.00 0.49 H new ATOM 0 HB3 ASN A 17 7.240 7.650 -6.622 1.00 0.49 H new ATOM 0 HD21 ASN A 17 5.138 6.457 -9.169 1.00 1.76 H new ATOM 0 HD22 ASN A 17 6.159 6.072 -7.780 1.00 1.76 H new ATOM 284 N THR A 18 3.278 8.902 -5.954 1.00 0.37 N ATOM 285 CA THR A 18 2.104 9.744 -6.151 1.00 0.46 C ATOM 286 C THR A 18 1.552 10.214 -4.802 1.00 0.45 C ATOM 287 O THR A 18 1.300 11.406 -4.601 1.00 0.47 O ATOM 288 CB THR A 18 1.012 9.020 -6.957 1.00 0.62 C ATOM 289 OG1 THR A 18 1.598 8.378 -8.097 1.00 0.67 O ATOM 290 CG2 THR A 18 -0.054 9.999 -7.427 1.00 0.80 C ATOM 0 H THR A 18 3.119 7.903 -6.082 1.00 0.37 H new ATOM 0 HA THR A 18 2.415 10.614 -6.729 1.00 0.46 H new ATOM 0 HB THR A 18 0.546 8.277 -6.310 1.00 0.62 H new ATOM 0 HG1 THR A 18 2.100 7.588 -7.806 1.00 0.67 H new ATOM 0 HG21 THR A 18 -0.815 9.463 -7.995 1.00 0.80 H new ATOM 0 HG22 THR A 18 -0.515 10.477 -6.563 1.00 0.80 H new ATOM 0 HG23 THR A 18 0.404 10.759 -8.061 1.00 0.80 H new ATOM 298 N PHE A 19 1.403 9.284 -3.861 1.00 0.48 N ATOM 299 CA PHE A 19 1.029 9.646 -2.502 1.00 0.56 C ATOM 300 C PHE A 19 1.994 10.699 -1.978 1.00 0.52 C ATOM 301 O PHE A 19 1.587 11.682 -1.368 1.00 0.59 O ATOM 302 CB PHE A 19 1.034 8.413 -1.583 1.00 0.66 C ATOM 303 CG PHE A 19 -0.329 7.847 -1.330 1.00 1.59 C ATOM 304 CD1 PHE A 19 -0.948 7.049 -2.272 1.00 2.57 C ATOM 305 CD2 PHE A 19 -0.990 8.113 -0.144 1.00 2.21 C ATOM 306 CE1 PHE A 19 -2.205 6.527 -2.041 1.00 3.51 C ATOM 307 CE2 PHE A 19 -2.245 7.594 0.094 1.00 3.16 C ATOM 308 CZ PHE A 19 -2.854 6.801 -0.858 1.00 3.66 C ATOM 0 H PHE A 19 1.535 8.284 -4.015 1.00 0.48 H new ATOM 0 HA PHE A 19 0.017 10.051 -2.511 1.00 0.56 H new ATOM 0 HB2 PHE A 19 1.662 7.641 -2.028 1.00 0.66 H new ATOM 0 HB3 PHE A 19 1.489 8.683 -0.630 1.00 0.66 H new ATOM 0 HD1 PHE A 19 -0.442 6.831 -3.201 1.00 2.57 H new ATOM 0 HD2 PHE A 19 -0.518 8.734 0.603 1.00 2.21 H new ATOM 0 HE1 PHE A 19 -2.678 5.905 -2.787 1.00 3.51 H new ATOM 0 HE2 PHE A 19 -2.751 7.808 1.024 1.00 3.16 H new ATOM 0 HZ PHE A 19 -3.838 6.396 -0.675 1.00 3.66 H new ATOM 318 N HIS A 20 3.272 10.507 -2.287 1.00 0.47 N ATOM 319 CA HIS A 20 4.322 11.425 -1.866 1.00 0.56 C ATOM 320 C HIS A 20 4.250 12.773 -2.572 1.00 0.47 C ATOM 321 O HIS A 20 4.805 13.730 -2.075 1.00 0.44 O ATOM 322 CB HIS A 20 5.710 10.817 -2.053 1.00 0.77 C ATOM 323 CG HIS A 20 6.061 9.808 -1.007 1.00 1.34 C ATOM 324 ND1 HIS A 20 7.288 9.188 -0.944 1.00 2.04 N ATOM 325 CD2 HIS A 20 5.333 9.304 0.020 1.00 2.12 C ATOM 326 CE1 HIS A 20 7.300 8.344 0.071 1.00 2.77 C ATOM 327 NE2 HIS A 20 6.126 8.395 0.673 1.00 2.82 N ATOM 0 H HIS A 20 3.607 9.714 -2.834 1.00 0.47 H new ATOM 0 HA HIS A 20 4.151 11.599 -0.804 1.00 0.56 H new ATOM 0 HB2 HIS A 20 5.763 10.346 -3.034 1.00 0.77 H new ATOM 0 HB3 HIS A 20 6.453 11.615 -2.042 1.00 0.77 H new ATOM 0 HD1 HIS A 20 8.066 9.355 -1.582 1.00 2.04 H new ATOM 0 HD2 HIS A 20 4.318 9.569 0.276 1.00 2.12 H new ATOM 0 HE1 HIS A 20 8.131 7.717 0.360 1.00 2.77 H new ATOM 336 N GLN A 21 3.612 12.858 -3.735 1.00 0.46 N ATOM 337 CA GLN A 21 3.439 14.159 -4.385 1.00 0.47 C ATOM 338 C GLN A 21 2.472 14.998 -3.566 1.00 0.48 C ATOM 339 O GLN A 21 2.560 16.226 -3.537 1.00 0.52 O ATOM 340 CB GLN A 21 2.943 14.038 -5.833 1.00 0.50 C ATOM 341 CG GLN A 21 1.434 13.923 -5.969 1.00 0.47 C ATOM 342 CD GLN A 21 0.959 14.111 -7.394 1.00 0.69 C ATOM 343 OE1 GLN A 21 0.857 13.153 -8.161 1.00 1.45 O ATOM 344 NE2 GLN A 21 0.660 15.348 -7.757 1.00 1.05 N ATOM 0 H GLN A 21 3.214 12.065 -4.239 1.00 0.46 H new ATOM 0 HA GLN A 21 4.416 14.641 -4.431 1.00 0.47 H new ATOM 0 HB2 GLN A 21 3.281 14.909 -6.395 1.00 0.50 H new ATOM 0 HB3 GLN A 21 3.405 13.164 -6.291 1.00 0.50 H new ATOM 0 HG2 GLN A 21 1.115 12.945 -5.610 1.00 0.47 H new ATOM 0 HG3 GLN A 21 0.958 14.667 -5.331 1.00 0.47 H new ATOM 0 HE21 GLN A 21 0.759 16.113 -7.090 1.00 1.05 H new ATOM 0 HE22 GLN A 21 0.331 15.536 -8.704 1.00 1.05 H new ATOM 353 N TYR A 22 1.531 14.332 -2.919 1.00 0.47 N ATOM 354 CA TYR A 22 0.646 15.012 -1.988 1.00 0.50 C ATOM 355 C TYR A 22 1.371 15.264 -0.667 1.00 0.52 C ATOM 356 O TYR A 22 1.112 16.249 0.015 1.00 0.58 O ATOM 357 CB TYR A 22 -0.628 14.199 -1.758 1.00 0.50 C ATOM 358 CG TYR A 22 -1.427 13.964 -3.019 1.00 0.54 C ATOM 359 CD1 TYR A 22 -2.338 14.907 -3.474 1.00 1.38 C ATOM 360 CD2 TYR A 22 -1.262 12.802 -3.759 1.00 1.22 C ATOM 361 CE1 TYR A 22 -3.064 14.696 -4.630 1.00 1.40 C ATOM 362 CE2 TYR A 22 -1.985 12.583 -4.916 1.00 1.28 C ATOM 363 CZ TYR A 22 -2.882 13.533 -5.346 1.00 0.71 C ATOM 364 OH TYR A 22 -3.600 13.321 -6.500 1.00 0.83 O ATOM 0 H TYR A 22 1.361 13.331 -3.019 1.00 0.47 H new ATOM 0 HA TYR A 22 0.359 15.971 -2.418 1.00 0.50 H new ATOM 0 HB2 TYR A 22 -0.362 13.237 -1.321 1.00 0.50 H new ATOM 0 HB3 TYR A 22 -1.254 14.717 -1.031 1.00 0.50 H new ATOM 0 HD1 TYR A 22 -2.482 15.820 -2.915 1.00 1.38 H new ATOM 0 HD2 TYR A 22 -0.556 12.056 -3.425 1.00 1.22 H new ATOM 0 HE1 TYR A 22 -3.770 15.439 -4.971 1.00 1.40 H new ATOM 0 HE2 TYR A 22 -1.847 11.672 -5.479 1.00 1.28 H new ATOM 0 HH TYR A 22 -3.977 12.416 -6.489 1.00 0.83 H new ATOM 374 N SER A 23 2.293 14.370 -0.332 1.00 0.50 N ATOM 375 CA SER A 23 3.080 14.476 0.896 1.00 0.53 C ATOM 376 C SER A 23 4.184 15.533 0.757 1.00 0.57 C ATOM 377 O SER A 23 4.588 16.173 1.727 1.00 0.62 O ATOM 378 CB SER A 23 3.700 13.112 1.212 1.00 0.52 C ATOM 379 OG SER A 23 2.789 12.058 0.972 1.00 1.04 O ATOM 0 H SER A 23 2.518 13.553 -0.900 1.00 0.50 H new ATOM 0 HA SER A 23 2.422 14.784 1.709 1.00 0.53 H new ATOM 0 HB2 SER A 23 4.593 12.968 0.603 1.00 0.52 H new ATOM 0 HB3 SER A 23 4.018 13.089 2.254 1.00 0.52 H new ATOM 0 HG SER A 23 2.454 12.118 0.053 1.00 1.04 H new ATOM 385 N VAL A 24 4.657 15.708 -0.468 1.00 0.58 N ATOM 386 CA VAL A 24 5.816 16.549 -0.765 1.00 0.62 C ATOM 387 C VAL A 24 5.452 18.023 -0.760 1.00 0.65 C ATOM 388 O VAL A 24 6.311 18.892 -0.908 1.00 0.69 O ATOM 389 CB VAL A 24 6.435 16.155 -2.130 1.00 0.62 C ATOM 390 CG1 VAL A 24 5.577 16.640 -3.285 1.00 0.61 C ATOM 391 CG2 VAL A 24 7.863 16.660 -2.267 1.00 0.68 C ATOM 0 H VAL A 24 4.247 15.269 -1.292 1.00 0.58 H new ATOM 0 HA VAL A 24 6.553 16.384 0.021 1.00 0.62 H new ATOM 0 HB VAL A 24 6.466 15.066 -2.166 1.00 0.62 H new ATOM 0 HG11 VAL A 24 6.038 16.348 -4.228 1.00 0.61 H new ATOM 0 HG12 VAL A 24 4.585 16.195 -3.213 1.00 0.61 H new ATOM 0 HG13 VAL A 24 5.491 17.726 -3.244 1.00 0.61 H new ATOM 0 HG21 VAL A 24 8.262 16.364 -3.237 1.00 0.68 H new ATOM 0 HG22 VAL A 24 7.874 17.747 -2.187 1.00 0.68 H new ATOM 0 HG23 VAL A 24 8.478 16.232 -1.475 1.00 0.68 H new ATOM 401 N LYS A 25 4.178 18.304 -0.566 1.00 0.65 N ATOM 402 CA LYS A 25 3.703 19.668 -0.578 1.00 0.74 C ATOM 403 C LYS A 25 4.319 20.464 0.579 1.00 0.84 C ATOM 404 O LYS A 25 4.421 21.691 0.517 1.00 0.98 O ATOM 405 CB LYS A 25 2.177 19.697 -0.513 1.00 0.77 C ATOM 406 CG LYS A 25 1.522 18.944 -1.657 1.00 0.79 C ATOM 407 CD LYS A 25 0.001 19.005 -1.609 1.00 0.86 C ATOM 408 CE LYS A 25 -0.524 20.431 -1.708 1.00 1.32 C ATOM 409 NZ LYS A 25 -0.720 21.054 -0.370 1.00 2.17 N ATOM 0 H LYS A 25 3.456 17.604 -0.398 1.00 0.65 H new ATOM 0 HA LYS A 25 4.014 20.139 -1.511 1.00 0.74 H new ATOM 0 HB2 LYS A 25 1.851 19.266 0.433 1.00 0.77 H new ATOM 0 HB3 LYS A 25 1.838 20.733 -0.525 1.00 0.77 H new ATOM 0 HG2 LYS A 25 1.868 19.358 -2.604 1.00 0.79 H new ATOM 0 HG3 LYS A 25 1.840 17.902 -1.630 1.00 0.79 H new ATOM 0 HD2 LYS A 25 -0.410 18.411 -2.426 1.00 0.86 H new ATOM 0 HD3 LYS A 25 -0.349 18.555 -0.680 1.00 0.86 H new ATOM 0 HE2 LYS A 25 0.175 21.034 -2.288 1.00 1.32 H new ATOM 0 HE3 LYS A 25 -1.470 20.431 -2.249 1.00 1.32 H new ATOM 0 HZ1 LYS A 25 -1.733 21.226 -0.212 1.00 2.17 H new ATOM 0 HZ2 LYS A 25 -0.359 20.415 0.367 1.00 2.17 H new ATOM 0 HZ3 LYS A 25 -0.205 21.957 -0.328 1.00 2.17 H new ATOM 423 N LEU A 26 4.736 19.755 1.628 1.00 0.83 N ATOM 424 CA LEU A 26 5.388 20.380 2.779 1.00 1.03 C ATOM 425 C LEU A 26 6.915 20.481 2.600 1.00 1.12 C ATOM 426 O LEU A 26 7.600 21.106 3.413 1.00 1.38 O ATOM 427 CB LEU A 26 5.068 19.570 4.040 1.00 1.06 C ATOM 428 CG LEU A 26 5.601 20.148 5.354 1.00 1.28 C ATOM 429 CD1 LEU A 26 4.943 21.483 5.665 1.00 2.04 C ATOM 430 CD2 LEU A 26 5.386 19.163 6.494 1.00 1.92 C ATOM 0 H LEU A 26 4.633 18.743 1.704 1.00 0.83 H new ATOM 0 HA LEU A 26 5.004 21.396 2.870 1.00 1.03 H new ATOM 0 HB2 LEU A 26 3.986 19.471 4.121 1.00 1.06 H new ATOM 0 HB3 LEU A 26 5.472 18.565 3.916 1.00 1.06 H new ATOM 0 HG LEU A 26 6.672 20.318 5.243 1.00 1.28 H new ATOM 0 HD11 LEU A 26 5.338 21.874 6.603 1.00 2.04 H new ATOM 0 HD12 LEU A 26 5.153 22.188 4.861 1.00 2.04 H new ATOM 0 HD13 LEU A 26 3.865 21.345 5.754 1.00 2.04 H new ATOM 0 HD21 LEU A 26 5.770 19.589 7.421 1.00 1.92 H new ATOM 0 HD22 LEU A 26 4.321 18.959 6.603 1.00 1.92 H new ATOM 0 HD23 LEU A 26 5.913 18.234 6.276 1.00 1.92 H new ATOM 442 N GLY A 27 7.444 19.885 1.538 1.00 0.99 N ATOM 443 CA GLY A 27 8.887 19.876 1.324 1.00 1.10 C ATOM 444 C GLY A 27 9.425 18.462 1.253 1.00 1.06 C ATOM 445 O GLY A 27 9.020 17.698 0.381 1.00 1.43 O ATOM 0 H GLY A 27 6.903 19.406 0.818 1.00 0.99 H new ATOM 0 HA2 GLY A 27 9.123 20.404 0.400 1.00 1.10 H new ATOM 0 HA3 GLY A 27 9.380 20.415 2.133 1.00 1.10 H new ATOM 449 N HIS A 28 10.349 18.102 2.147 1.00 1.18 N ATOM 450 CA HIS A 28 10.693 16.693 2.325 1.00 1.12 C ATOM 451 C HIS A 28 9.411 15.997 2.763 1.00 0.82 C ATOM 452 O HIS A 28 8.891 16.282 3.842 1.00 1.01 O ATOM 453 CB HIS A 28 11.841 16.496 3.341 1.00 1.34 C ATOM 454 CG HIS A 28 11.521 16.867 4.764 1.00 1.95 C ATOM 455 ND1 HIS A 28 11.318 15.931 5.757 1.00 2.65 N ATOM 456 CD2 HIS A 28 11.381 18.074 5.358 1.00 2.84 C ATOM 457 CE1 HIS A 28 11.066 16.548 6.895 1.00 3.57 C ATOM 458 NE2 HIS A 28 11.098 17.850 6.683 1.00 3.70 N ATOM 0 H HIS A 28 10.861 18.751 2.745 1.00 1.18 H new ATOM 0 HA HIS A 28 11.070 16.265 1.396 1.00 1.12 H new ATOM 0 HB2 HIS A 28 12.148 15.450 3.317 1.00 1.34 H new ATOM 0 HB3 HIS A 28 12.697 17.087 3.014 1.00 1.34 H new ATOM 0 HD2 HIS A 28 11.475 19.037 4.878 1.00 2.84 H new ATOM 0 HE1 HIS A 28 10.867 16.068 7.842 1.00 3.57 H new ATOM 0 HE2 HIS A 28 10.939 18.571 7.387 1.00 3.70 H new ATOM 467 N PRO A 29 8.854 15.117 1.917 1.00 1.15 N ATOM 468 CA PRO A 29 7.405 14.845 1.963 1.00 1.09 C ATOM 469 C PRO A 29 6.948 13.982 3.122 1.00 0.61 C ATOM 470 O PRO A 29 6.123 13.106 2.883 1.00 0.84 O ATOM 471 CB PRO A 29 7.234 14.028 0.682 1.00 1.96 C ATOM 472 CG PRO A 29 8.511 13.287 0.600 1.00 2.64 C ATOM 473 CD PRO A 29 9.546 14.316 0.904 1.00 2.17 C ATOM 0 HA PRO A 29 6.834 15.768 2.068 1.00 1.09 H new ATOM 0 HB2 PRO A 29 6.378 13.356 0.741 1.00 1.96 H new ATOM 0 HB3 PRO A 29 7.079 14.666 -0.188 1.00 1.96 H new ATOM 0 HG2 PRO A 29 8.542 12.466 1.316 1.00 2.64 H new ATOM 0 HG3 PRO A 29 8.658 12.853 -0.389 1.00 2.64 H new ATOM 0 HD2 PRO A 29 10.467 13.875 1.285 1.00 2.17 H new ATOM 0 HD3 PRO A 29 9.814 14.904 0.026 1.00 2.17 H new ATOM 481 N ASP A 30 7.443 14.114 4.314 1.00 0.65 N ATOM 482 CA ASP A 30 7.549 12.921 5.173 1.00 0.88 C ATOM 483 C ASP A 30 6.183 12.425 5.712 1.00 0.82 C ATOM 484 O ASP A 30 6.110 11.460 6.473 1.00 1.08 O ATOM 485 CB ASP A 30 8.491 13.235 6.339 1.00 1.32 C ATOM 486 CG ASP A 30 8.995 11.995 7.048 1.00 1.89 C ATOM 487 OD1 ASP A 30 9.871 11.306 6.486 1.00 2.56 O ATOM 488 OD2 ASP A 30 8.544 11.727 8.184 1.00 2.35 O ATOM 0 H ASP A 30 7.774 14.987 4.724 1.00 0.65 H new ATOM 0 HA ASP A 30 7.943 12.111 4.559 1.00 0.88 H new ATOM 0 HB2 ASP A 30 9.343 13.804 5.967 1.00 1.32 H new ATOM 0 HB3 ASP A 30 7.972 13.870 7.056 1.00 1.32 H new ATOM 493 N THR A 31 5.122 13.087 5.292 1.00 0.57 N ATOM 494 CA THR A 31 3.809 12.926 5.873 1.00 0.55 C ATOM 495 C THR A 31 2.722 13.356 4.900 1.00 0.51 C ATOM 496 O THR A 31 3.003 13.921 3.852 1.00 0.59 O ATOM 497 CB THR A 31 3.679 13.747 7.165 1.00 0.67 C ATOM 498 OG1 THR A 31 2.429 13.490 7.793 1.00 1.40 O ATOM 499 CG2 THR A 31 3.820 15.240 6.891 1.00 1.23 C ATOM 0 H THR A 31 5.152 13.761 4.527 1.00 0.57 H new ATOM 0 HA THR A 31 3.684 11.868 6.102 1.00 0.55 H new ATOM 0 HB THR A 31 4.486 13.443 7.831 1.00 0.67 H new ATOM 0 HG1 THR A 31 1.794 14.199 7.560 1.00 1.40 H new ATOM 0 HG21 THR A 31 3.723 15.792 7.826 1.00 1.23 H new ATOM 0 HG22 THR A 31 4.798 15.439 6.452 1.00 1.23 H new ATOM 0 HG23 THR A 31 3.040 15.558 6.199 1.00 1.23 H new ATOM 507 N LEU A 32 1.489 13.115 5.283 1.00 0.50 N ATOM 508 CA LEU A 32 0.352 13.837 4.738 1.00 0.50 C ATOM 509 C LEU A 32 -0.355 14.537 5.872 1.00 0.50 C ATOM 510 O LEU A 32 -0.839 13.886 6.795 1.00 0.51 O ATOM 511 CB LEU A 32 -0.604 12.879 4.052 1.00 0.50 C ATOM 512 CG LEU A 32 -0.029 12.213 2.802 1.00 0.59 C ATOM 513 CD1 LEU A 32 -0.751 10.909 2.508 1.00 0.61 C ATOM 514 CD2 LEU A 32 -0.143 13.151 1.614 1.00 0.73 C ATOM 0 H LEU A 32 1.241 12.414 5.981 1.00 0.50 H new ATOM 0 HA LEU A 32 0.697 14.562 4.001 1.00 0.50 H new ATOM 0 HB2 LEU A 32 -0.897 12.105 4.761 1.00 0.50 H new ATOM 0 HB3 LEU A 32 -1.510 13.420 3.778 1.00 0.50 H new ATOM 0 HG LEU A 32 1.023 11.991 2.982 1.00 0.59 H new ATOM 0 HD11 LEU A 32 -0.326 10.451 1.615 1.00 0.61 H new ATOM 0 HD12 LEU A 32 -0.635 10.230 3.353 1.00 0.61 H new ATOM 0 HD13 LEU A 32 -1.810 11.108 2.345 1.00 0.61 H new ATOM 0 HD21 LEU A 32 0.269 12.668 0.728 1.00 0.73 H new ATOM 0 HD22 LEU A 32 -1.192 13.393 1.441 1.00 0.73 H new ATOM 0 HD23 LEU A 32 0.411 14.067 1.819 1.00 0.73 H new ATOM 526 N ASN A 33 -0.416 15.856 5.824 1.00 0.52 N ATOM 527 CA ASN A 33 -1.148 16.578 6.847 1.00 0.53 C ATOM 528 C ASN A 33 -2.624 16.585 6.490 1.00 0.48 C ATOM 529 O ASN A 33 -3.027 15.974 5.499 1.00 0.49 O ATOM 530 CB ASN A 33 -0.609 18.009 7.046 1.00 0.60 C ATOM 531 CG ASN A 33 -1.215 19.054 6.115 1.00 1.47 C ATOM 532 OD1 ASN A 33 -1.602 18.770 4.985 1.00 2.37 O ATOM 533 ND2 ASN A 33 -1.307 20.284 6.598 1.00 2.03 N ATOM 0 H ASN A 33 0.020 16.436 5.107 1.00 0.52 H new ATOM 0 HA ASN A 33 -1.010 16.067 7.800 1.00 0.53 H new ATOM 0 HB2 ASN A 33 -0.792 18.311 8.077 1.00 0.60 H new ATOM 0 HB3 ASN A 33 0.472 17.999 6.904 1.00 0.60 H new ATOM 0 HD21 ASN A 33 -1.709 21.027 6.027 1.00 2.03 H new ATOM 0 HD22 ASN A 33 -0.976 20.488 7.541 1.00 2.03 H new ATOM 540 N GLN A 34 -3.420 17.262 7.293 1.00 0.47 N ATOM 541 CA GLN A 34 -4.858 17.298 7.096 1.00 0.45 C ATOM 542 C GLN A 34 -5.224 17.698 5.668 1.00 0.43 C ATOM 543 O GLN A 34 -6.049 17.052 5.029 1.00 0.42 O ATOM 544 CB GLN A 34 -5.472 18.265 8.099 1.00 0.45 C ATOM 545 CG GLN A 34 -6.986 18.358 8.034 1.00 0.48 C ATOM 546 CD GLN A 34 -7.539 19.356 9.029 1.00 0.59 C ATOM 547 OE1 GLN A 34 -7.695 20.536 8.721 1.00 1.06 O ATOM 548 NE2 GLN A 34 -7.820 18.895 10.236 1.00 1.42 N ATOM 0 H GLN A 34 -3.093 17.800 8.096 1.00 0.47 H new ATOM 0 HA GLN A 34 -5.257 16.297 7.257 1.00 0.45 H new ATOM 0 HB2 GLN A 34 -5.182 17.960 9.104 1.00 0.45 H new ATOM 0 HB3 GLN A 34 -5.052 19.257 7.933 1.00 0.45 H new ATOM 0 HG2 GLN A 34 -7.288 18.646 7.027 1.00 0.48 H new ATOM 0 HG3 GLN A 34 -7.418 17.376 8.228 1.00 0.48 H new ATOM 0 HE21 GLN A 34 -7.676 17.908 10.451 1.00 1.42 H new ATOM 0 HE22 GLN A 34 -8.180 19.526 10.952 1.00 1.42 H new ATOM 557 N GLY A 35 -4.573 18.731 5.163 1.00 0.44 N ATOM 558 CA GLY A 35 -4.909 19.247 3.851 1.00 0.44 C ATOM 559 C GLY A 35 -4.435 18.342 2.737 1.00 0.44 C ATOM 560 O GLY A 35 -5.138 18.138 1.743 1.00 0.44 O ATOM 0 H GLY A 35 -3.816 19.224 5.637 1.00 0.44 H new ATOM 0 HA2 GLY A 35 -5.989 19.372 3.779 1.00 0.44 H new ATOM 0 HA3 GLY A 35 -4.464 20.235 3.727 1.00 0.44 H new ATOM 564 N GLU A 36 -3.241 17.802 2.906 1.00 0.46 N ATOM 565 CA GLU A 36 -2.634 16.937 1.909 1.00 0.49 C ATOM 566 C GLU A 36 -3.371 15.607 1.829 1.00 0.46 C ATOM 567 O GLU A 36 -3.595 15.079 0.739 1.00 0.46 O ATOM 568 CB GLU A 36 -1.159 16.734 2.249 1.00 0.53 C ATOM 569 CG GLU A 36 -0.392 18.046 2.287 1.00 0.68 C ATOM 570 CD GLU A 36 0.945 17.949 2.991 1.00 1.12 C ATOM 571 OE1 GLU A 36 1.010 17.309 4.062 1.00 2.00 O ATOM 572 OE2 GLU A 36 1.916 18.574 2.512 1.00 1.49 O ATOM 0 H GLU A 36 -2.666 17.950 3.735 1.00 0.46 H new ATOM 0 HA GLU A 36 -2.707 17.408 0.929 1.00 0.49 H new ATOM 0 HB2 GLU A 36 -1.076 16.239 3.216 1.00 0.53 H new ATOM 0 HB3 GLU A 36 -0.706 16.072 1.512 1.00 0.53 H new ATOM 0 HG2 GLU A 36 -0.231 18.392 1.266 1.00 0.68 H new ATOM 0 HG3 GLU A 36 -1.002 18.799 2.786 1.00 0.68 H new ATOM 579 N PHE A 37 -3.762 15.081 2.984 1.00 0.44 N ATOM 580 CA PHE A 37 -4.492 13.821 3.038 1.00 0.42 C ATOM 581 C PHE A 37 -5.866 13.960 2.392 1.00 0.37 C ATOM 582 O PHE A 37 -6.275 13.110 1.600 1.00 0.36 O ATOM 583 CB PHE A 37 -4.642 13.330 4.478 1.00 0.43 C ATOM 584 CG PHE A 37 -5.335 12.002 4.567 1.00 0.48 C ATOM 585 CD1 PHE A 37 -6.584 11.897 5.153 1.00 1.40 C ATOM 586 CD2 PHE A 37 -4.744 10.862 4.045 1.00 1.18 C ATOM 587 CE1 PHE A 37 -7.231 10.681 5.220 1.00 1.47 C ATOM 588 CE2 PHE A 37 -5.386 9.642 4.111 1.00 1.20 C ATOM 589 CZ PHE A 37 -6.631 9.552 4.698 1.00 0.67 C ATOM 0 H PHE A 37 -3.586 15.507 3.894 1.00 0.44 H new ATOM 0 HA PHE A 37 -3.914 13.085 2.480 1.00 0.42 H new ATOM 0 HB2 PHE A 37 -3.656 13.252 4.936 1.00 0.43 H new ATOM 0 HB3 PHE A 37 -5.203 14.067 5.053 1.00 0.43 H new ATOM 0 HD1 PHE A 37 -7.057 12.777 5.562 1.00 1.40 H new ATOM 0 HD2 PHE A 37 -3.771 10.929 3.582 1.00 1.18 H new ATOM 0 HE1 PHE A 37 -8.206 10.612 5.680 1.00 1.47 H new ATOM 0 HE2 PHE A 37 -4.915 8.760 3.704 1.00 1.20 H new ATOM 0 HZ PHE A 37 -7.136 8.599 4.749 1.00 0.67 H new ATOM 599 N LYS A 38 -6.576 15.035 2.736 1.00 0.36 N ATOM 600 CA LYS A 38 -7.901 15.283 2.178 1.00 0.34 C ATOM 601 C LYS A 38 -7.840 15.354 0.663 1.00 0.31 C ATOM 602 O LYS A 38 -8.653 14.747 -0.022 1.00 0.30 O ATOM 603 CB LYS A 38 -8.494 16.579 2.730 1.00 0.39 C ATOM 604 CG LYS A 38 -8.871 16.506 4.201 1.00 0.67 C ATOM 605 CD LYS A 38 -9.308 17.864 4.727 1.00 0.63 C ATOM 606 CE LYS A 38 -10.599 18.331 4.075 1.00 1.08 C ATOM 607 NZ LYS A 38 -10.965 19.712 4.483 1.00 1.38 N ATOM 0 H LYS A 38 -6.255 15.744 3.396 1.00 0.36 H new ATOM 0 HA LYS A 38 -8.543 14.452 2.470 1.00 0.34 H new ATOM 0 HB2 LYS A 38 -7.774 17.385 2.589 1.00 0.39 H new ATOM 0 HB3 LYS A 38 -9.380 16.838 2.150 1.00 0.39 H new ATOM 0 HG2 LYS A 38 -9.677 15.785 4.337 1.00 0.67 H new ATOM 0 HG3 LYS A 38 -8.020 16.146 4.779 1.00 0.67 H new ATOM 0 HD2 LYS A 38 -9.445 17.809 5.807 1.00 0.63 H new ATOM 0 HD3 LYS A 38 -8.522 18.596 4.542 1.00 0.63 H new ATOM 0 HE2 LYS A 38 -10.492 18.290 2.991 1.00 1.08 H new ATOM 0 HE3 LYS A 38 -11.406 17.649 4.342 1.00 1.08 H new ATOM 0 HZ1 LYS A 38 -11.761 20.046 3.903 1.00 1.38 H new ATOM 0 HZ2 LYS A 38 -11.241 19.716 5.486 1.00 1.38 H new ATOM 0 HZ3 LYS A 38 -10.149 20.342 4.346 1.00 1.38 H new ATOM 621 N GLU A 39 -6.870 16.096 0.154 1.00 0.33 N ATOM 622 CA GLU A 39 -6.666 16.223 -1.282 1.00 0.35 C ATOM 623 C GLU A 39 -6.336 14.871 -1.904 1.00 0.35 C ATOM 624 O GLU A 39 -6.905 14.505 -2.926 1.00 0.36 O ATOM 625 CB GLU A 39 -5.545 17.221 -1.573 1.00 0.40 C ATOM 626 CG GLU A 39 -5.298 17.441 -3.058 1.00 0.49 C ATOM 627 CD GLU A 39 -4.340 18.582 -3.318 1.00 0.99 C ATOM 628 OE1 GLU A 39 -3.146 18.454 -2.979 1.00 1.74 O ATOM 629 OE2 GLU A 39 -4.782 19.619 -3.853 1.00 1.64 O ATOM 0 H GLU A 39 -6.205 16.624 0.719 1.00 0.33 H new ATOM 0 HA GLU A 39 -7.591 16.590 -1.725 1.00 0.35 H new ATOM 0 HB2 GLU A 39 -5.790 18.176 -1.108 1.00 0.40 H new ATOM 0 HB3 GLU A 39 -4.625 16.867 -1.108 1.00 0.40 H new ATOM 0 HG2 GLU A 39 -4.898 16.527 -3.497 1.00 0.49 H new ATOM 0 HG3 GLU A 39 -6.246 17.645 -3.555 1.00 0.49 H new ATOM 636 N LEU A 40 -5.434 14.132 -1.271 1.00 0.35 N ATOM 637 CA LEU A 40 -5.059 12.799 -1.734 1.00 0.37 C ATOM 638 C LEU A 40 -6.308 11.942 -1.944 1.00 0.33 C ATOM 639 O LEU A 40 -6.530 11.398 -3.032 1.00 0.32 O ATOM 640 CB LEU A 40 -4.090 12.161 -0.716 1.00 0.41 C ATOM 641 CG LEU A 40 -3.657 10.705 -0.965 1.00 0.49 C ATOM 642 CD1 LEU A 40 -4.696 9.733 -0.427 1.00 1.43 C ATOM 643 CD2 LEU A 40 -3.412 10.452 -2.444 1.00 1.01 C ATOM 0 H LEU A 40 -4.944 14.435 -0.429 1.00 0.35 H new ATOM 0 HA LEU A 40 -4.549 12.869 -2.695 1.00 0.37 H new ATOM 0 HB2 LEU A 40 -3.192 12.777 -0.675 1.00 0.41 H new ATOM 0 HB3 LEU A 40 -4.556 12.210 0.268 1.00 0.41 H new ATOM 0 HG LEU A 40 -2.721 10.541 -0.432 1.00 0.49 H new ATOM 0 HD11 LEU A 40 -4.369 8.710 -0.614 1.00 1.43 H new ATOM 0 HD12 LEU A 40 -4.816 9.885 0.646 1.00 1.43 H new ATOM 0 HD13 LEU A 40 -5.649 9.906 -0.926 1.00 1.43 H new ATOM 0 HD21 LEU A 40 -3.107 9.416 -2.590 1.00 1.01 H new ATOM 0 HD22 LEU A 40 -4.328 10.643 -3.003 1.00 1.01 H new ATOM 0 HD23 LEU A 40 -2.624 11.115 -2.801 1.00 1.01 H new ATOM 655 N VAL A 41 -7.136 11.855 -0.914 1.00 0.33 N ATOM 656 CA VAL A 41 -8.373 11.096 -1.000 1.00 0.33 C ATOM 657 C VAL A 41 -9.312 11.720 -2.021 1.00 0.30 C ATOM 658 O VAL A 41 -9.996 11.029 -2.762 1.00 0.31 O ATOM 659 CB VAL A 41 -9.094 11.008 0.359 1.00 0.36 C ATOM 660 CG1 VAL A 41 -10.428 10.293 0.207 1.00 0.40 C ATOM 661 CG2 VAL A 41 -8.219 10.300 1.380 1.00 0.39 C ATOM 0 H VAL A 41 -6.974 12.300 -0.011 1.00 0.33 H new ATOM 0 HA VAL A 41 -8.103 10.087 -1.311 1.00 0.33 H new ATOM 0 HB VAL A 41 -9.286 12.020 0.716 1.00 0.36 H new ATOM 0 HG11 VAL A 41 -10.924 10.239 1.176 1.00 0.40 H new ATOM 0 HG12 VAL A 41 -11.057 10.842 -0.493 1.00 0.40 H new ATOM 0 HG13 VAL A 41 -10.259 9.285 -0.171 1.00 0.40 H new ATOM 0 HG21 VAL A 41 -8.744 10.247 2.334 1.00 0.39 H new ATOM 0 HG22 VAL A 41 -7.996 9.292 1.031 1.00 0.39 H new ATOM 0 HG23 VAL A 41 -7.289 10.853 1.508 1.00 0.39 H new ATOM 671 N ARG A 42 -9.315 13.036 -2.063 1.00 0.31 N ATOM 672 CA ARG A 42 -10.240 13.777 -2.893 1.00 0.32 C ATOM 673 C ARG A 42 -9.948 13.577 -4.378 1.00 0.32 C ATOM 674 O ARG A 42 -10.844 13.680 -5.211 1.00 0.34 O ATOM 675 CB ARG A 42 -10.213 15.262 -2.521 1.00 0.40 C ATOM 676 CG ARG A 42 -11.244 16.110 -3.246 1.00 0.94 C ATOM 677 CD ARG A 42 -11.369 17.486 -2.609 1.00 1.14 C ATOM 678 NE ARG A 42 -12.010 17.423 -1.296 1.00 1.66 N ATOM 679 CZ ARG A 42 -11.916 18.375 -0.369 1.00 2.43 C ATOM 680 NH1 ARG A 42 -11.160 19.447 -0.582 1.00 2.67 N ATOM 681 NH2 ARG A 42 -12.580 18.249 0.774 1.00 3.25 N ATOM 0 H ARG A 42 -8.677 13.621 -1.523 1.00 0.31 H new ATOM 0 HA ARG A 42 -11.242 13.391 -2.708 1.00 0.32 H new ATOM 0 HB2 ARG A 42 -10.372 15.358 -1.447 1.00 0.40 H new ATOM 0 HB3 ARG A 42 -9.220 15.659 -2.733 1.00 0.40 H new ATOM 0 HG2 ARG A 42 -10.961 16.215 -4.293 1.00 0.94 H new ATOM 0 HG3 ARG A 42 -12.211 15.608 -3.226 1.00 0.94 H new ATOM 0 HD2 ARG A 42 -10.379 17.931 -2.509 1.00 1.14 H new ATOM 0 HD3 ARG A 42 -11.947 18.138 -3.264 1.00 1.14 H new ATOM 0 HE ARG A 42 -12.565 16.596 -1.076 1.00 1.66 H new ATOM 0 HH11 ARG A 42 -10.648 19.544 -1.459 1.00 2.67 H new ATOM 0 HH12 ARG A 42 -11.092 20.173 0.131 1.00 2.67 H new ATOM 0 HH21 ARG A 42 -13.159 17.426 0.939 1.00 3.25 H new ATOM 0 HH22 ARG A 42 -12.511 18.975 1.487 1.00 3.25 H new ATOM 695 N LYS A 43 -8.694 13.331 -4.720 1.00 0.32 N ATOM 696 CA LYS A 43 -8.309 13.223 -6.120 1.00 0.37 C ATOM 697 C LYS A 43 -8.219 11.772 -6.586 1.00 0.29 C ATOM 698 O LYS A 43 -8.832 11.402 -7.583 1.00 0.41 O ATOM 699 CB LYS A 43 -6.961 13.910 -6.362 1.00 0.51 C ATOM 700 CG LYS A 43 -6.828 15.295 -5.741 1.00 0.74 C ATOM 701 CD LYS A 43 -7.299 16.412 -6.660 1.00 0.70 C ATOM 702 CE LYS A 43 -8.682 16.929 -6.290 1.00 1.33 C ATOM 703 NZ LYS A 43 -9.776 16.029 -6.748 1.00 2.33 N ATOM 0 H LYS A 43 -7.931 13.203 -4.056 1.00 0.32 H new ATOM 0 HA LYS A 43 -9.090 13.718 -6.697 1.00 0.37 H new ATOM 0 HB2 LYS A 43 -6.169 13.273 -5.968 1.00 0.51 H new ATOM 0 HB3 LYS A 43 -6.799 13.992 -7.437 1.00 0.51 H new ATOM 0 HG2 LYS A 43 -7.403 15.328 -4.816 1.00 0.74 H new ATOM 0 HG3 LYS A 43 -5.785 15.468 -5.475 1.00 0.74 H new ATOM 0 HD2 LYS A 43 -6.585 17.235 -6.621 1.00 0.70 H new ATOM 0 HD3 LYS A 43 -7.313 16.050 -7.688 1.00 0.70 H new ATOM 0 HE2 LYS A 43 -8.743 17.047 -5.208 1.00 1.33 H new ATOM 0 HE3 LYS A 43 -8.824 17.918 -6.727 1.00 1.33 H new ATOM 0 HZ1 LYS A 43 -10.618 16.595 -6.978 1.00 2.33 H new ATOM 0 HZ2 LYS A 43 -9.466 15.509 -7.594 1.00 2.33 H new ATOM 0 HZ3 LYS A 43 -10.009 15.354 -5.992 1.00 2.33 H new ATOM 717 N ASP A 44 -7.455 10.951 -5.881 1.00 0.25 N ATOM 718 CA ASP A 44 -7.186 9.595 -6.354 1.00 0.31 C ATOM 719 C ASP A 44 -8.123 8.564 -5.744 1.00 0.35 C ATOM 720 O ASP A 44 -8.596 7.666 -6.435 1.00 0.59 O ATOM 721 CB ASP A 44 -5.738 9.207 -6.079 1.00 0.44 C ATOM 722 CG ASP A 44 -4.800 9.701 -7.160 1.00 1.04 C ATOM 723 OD1 ASP A 44 -4.319 10.848 -7.064 1.00 1.64 O ATOM 724 OD2 ASP A 44 -4.551 8.940 -8.125 1.00 1.88 O ATOM 0 H ASP A 44 -7.015 11.191 -4.993 1.00 0.25 H new ATOM 0 HA ASP A 44 -7.364 9.600 -7.429 1.00 0.31 H new ATOM 0 HB2 ASP A 44 -5.430 9.617 -5.117 1.00 0.44 H new ATOM 0 HB3 ASP A 44 -5.662 8.122 -6.002 1.00 0.44 H new ATOM 729 N LEU A 45 -8.397 8.697 -4.457 1.00 0.24 N ATOM 730 CA LEU A 45 -9.272 7.759 -3.752 1.00 0.25 C ATOM 731 C LEU A 45 -10.720 8.201 -3.862 1.00 0.26 C ATOM 732 O LEU A 45 -11.616 7.584 -3.295 1.00 0.29 O ATOM 733 CB LEU A 45 -8.863 7.617 -2.291 1.00 0.29 C ATOM 734 CG LEU A 45 -7.418 7.161 -2.072 1.00 0.31 C ATOM 735 CD1 LEU A 45 -7.131 6.974 -0.593 1.00 0.44 C ATOM 736 CD2 LEU A 45 -7.145 5.875 -2.833 1.00 0.38 C ATOM 0 H LEU A 45 -8.027 9.447 -3.872 1.00 0.24 H new ATOM 0 HA LEU A 45 -9.170 6.782 -4.224 1.00 0.25 H new ATOM 0 HB2 LEU A 45 -9.006 8.576 -1.793 1.00 0.29 H new ATOM 0 HB3 LEU A 45 -9.532 6.904 -1.808 1.00 0.29 H new ATOM 0 HG LEU A 45 -6.754 7.937 -2.453 1.00 0.31 H new ATOM 0 HD11 LEU A 45 -6.099 6.650 -0.461 1.00 0.44 H new ATOM 0 HD12 LEU A 45 -7.285 7.918 -0.070 1.00 0.44 H new ATOM 0 HD13 LEU A 45 -7.803 6.220 -0.184 1.00 0.44 H new ATOM 0 HD21 LEU A 45 -6.113 5.565 -2.666 1.00 0.38 H new ATOM 0 HD22 LEU A 45 -7.820 5.094 -2.482 1.00 0.38 H new ATOM 0 HD23 LEU A 45 -7.306 6.041 -3.898 1.00 0.38 H new ATOM 748 N GLN A 46 -10.919 9.291 -4.585 1.00 0.28 N ATOM 749 CA GLN A 46 -12.230 9.904 -4.790 1.00 0.32 C ATOM 750 C GLN A 46 -13.258 8.890 -5.288 1.00 0.32 C ATOM 751 O GLN A 46 -14.457 9.115 -5.187 1.00 0.36 O ATOM 752 CB GLN A 46 -12.103 11.047 -5.800 1.00 0.38 C ATOM 753 CG GLN A 46 -11.717 10.578 -7.193 1.00 0.43 C ATOM 754 CD GLN A 46 -11.907 11.652 -8.246 1.00 0.51 C ATOM 755 OE1 GLN A 46 -12.187 11.350 -9.405 1.00 1.01 O ATOM 756 NE2 GLN A 46 -11.777 12.908 -7.851 1.00 1.46 N ATOM 0 H GLN A 46 -10.163 9.787 -5.056 1.00 0.28 H new ATOM 0 HA GLN A 46 -12.578 10.286 -3.830 1.00 0.32 H new ATOM 0 HB2 GLN A 46 -13.051 11.582 -5.854 1.00 0.38 H new ATOM 0 HB3 GLN A 46 -11.357 11.757 -5.443 1.00 0.38 H new ATOM 0 HG2 GLN A 46 -10.675 10.260 -7.189 1.00 0.43 H new ATOM 0 HG3 GLN A 46 -12.315 9.706 -7.457 1.00 0.43 H new ATOM 0 HE21 GLN A 46 -11.544 13.116 -6.880 1.00 1.46 H new ATOM 0 HE22 GLN A 46 -11.910 13.669 -8.517 1.00 1.46 H new ATOM 765 N ASN A 47 -12.774 7.807 -5.867 1.00 0.30 N ATOM 766 CA ASN A 47 -13.625 6.769 -6.430 1.00 0.31 C ATOM 767 C ASN A 47 -13.805 5.608 -5.452 1.00 0.30 C ATOM 768 O ASN A 47 -14.924 5.195 -5.158 1.00 0.35 O ATOM 769 CB ASN A 47 -13.002 6.281 -7.738 1.00 0.39 C ATOM 770 CG ASN A 47 -11.486 6.272 -7.675 1.00 1.33 C ATOM 771 OD1 ASN A 47 -10.890 5.969 -6.643 1.00 2.14 O ATOM 772 ND2 ASN A 47 -10.851 6.667 -8.757 1.00 2.13 N ATOM 0 H ASN A 47 -11.776 7.619 -5.962 1.00 0.30 H new ATOM 0 HA ASN A 47 -14.615 7.183 -6.624 1.00 0.31 H new ATOM 0 HB2 ASN A 47 -13.362 5.276 -7.959 1.00 0.39 H new ATOM 0 HB3 ASN A 47 -13.327 6.923 -8.557 1.00 0.39 H new ATOM 0 HD21 ASN A 47 -9.833 6.729 -8.757 1.00 2.13 H new ATOM 0 HD22 ASN A 47 -11.377 6.911 -9.596 1.00 2.13 H new ATOM 779 N PHE A 48 -12.702 5.116 -4.917 1.00 0.29 N ATOM 780 CA PHE A 48 -12.726 3.994 -3.992 1.00 0.34 C ATOM 781 C PHE A 48 -13.340 4.403 -2.667 1.00 0.35 C ATOM 782 O PHE A 48 -14.060 3.636 -2.029 1.00 0.41 O ATOM 783 CB PHE A 48 -11.304 3.470 -3.779 1.00 0.36 C ATOM 784 CG PHE A 48 -10.954 2.286 -4.636 1.00 0.68 C ATOM 785 CD1 PHE A 48 -9.865 1.490 -4.321 1.00 1.49 C ATOM 786 CD2 PHE A 48 -11.715 1.960 -5.749 1.00 1.49 C ATOM 787 CE1 PHE A 48 -9.541 0.395 -5.094 1.00 1.82 C ATOM 788 CE2 PHE A 48 -11.393 0.869 -6.526 1.00 1.91 C ATOM 789 CZ PHE A 48 -10.307 0.085 -6.198 1.00 1.73 C ATOM 0 H PHE A 48 -11.769 5.480 -5.109 1.00 0.29 H new ATOM 0 HA PHE A 48 -13.340 3.201 -4.420 1.00 0.34 H new ATOM 0 HB2 PHE A 48 -10.597 4.274 -3.982 1.00 0.36 H new ATOM 0 HB3 PHE A 48 -11.182 3.196 -2.731 1.00 0.36 H new ATOM 0 HD1 PHE A 48 -9.261 1.730 -3.458 1.00 1.49 H new ATOM 0 HD2 PHE A 48 -12.569 2.568 -6.009 1.00 1.49 H new ATOM 0 HE1 PHE A 48 -8.690 -0.218 -4.836 1.00 1.82 H new ATOM 0 HE2 PHE A 48 -11.991 0.628 -7.392 1.00 1.91 H new ATOM 0 HZ PHE A 48 -10.056 -0.772 -6.806 1.00 1.73 H new ATOM 799 N LEU A 49 -13.085 5.629 -2.275 1.00 0.31 N ATOM 800 CA LEU A 49 -13.614 6.157 -1.041 1.00 0.35 C ATOM 801 C LEU A 49 -14.680 7.193 -1.341 1.00 0.34 C ATOM 802 O LEU A 49 -14.955 8.050 -0.523 1.00 0.38 O ATOM 803 CB LEU A 49 -12.489 6.775 -0.210 1.00 0.35 C ATOM 804 CG LEU A 49 -11.355 5.815 0.156 1.00 0.42 C ATOM 805 CD1 LEU A 49 -10.331 6.508 1.038 1.00 0.44 C ATOM 806 CD2 LEU A 49 -11.903 4.575 0.844 1.00 0.61 C ATOM 0 H LEU A 49 -12.508 6.286 -2.800 1.00 0.31 H new ATOM 0 HA LEU A 49 -14.063 5.346 -0.468 1.00 0.35 H new ATOM 0 HB2 LEU A 49 -12.069 7.616 -0.762 1.00 0.35 H new ATOM 0 HB3 LEU A 49 -12.915 7.178 0.709 1.00 0.35 H new ATOM 0 HG LEU A 49 -10.860 5.504 -0.764 1.00 0.42 H new ATOM 0 HD11 LEU A 49 -9.533 5.809 1.287 1.00 0.44 H new ATOM 0 HD12 LEU A 49 -9.912 7.363 0.507 1.00 0.44 H new ATOM 0 HD13 LEU A 49 -10.812 6.851 1.954 1.00 0.44 H new ATOM 0 HD21 LEU A 49 -11.081 3.905 1.096 1.00 0.61 H new ATOM 0 HD22 LEU A 49 -12.426 4.866 1.755 1.00 0.61 H new ATOM 0 HD23 LEU A 49 -12.595 4.064 0.175 1.00 0.61 H new ATOM 818 N LYS A 50 -15.266 7.109 -2.533 1.00 0.33 N ATOM 819 CA LYS A 50 -16.235 8.107 -3.003 1.00 0.36 C ATOM 820 C LYS A 50 -17.324 8.416 -1.967 1.00 0.39 C ATOM 821 O LYS A 50 -17.661 9.578 -1.754 1.00 0.40 O ATOM 822 CB LYS A 50 -16.863 7.658 -4.326 1.00 0.47 C ATOM 823 CG LYS A 50 -17.794 6.466 -4.212 1.00 0.87 C ATOM 824 CD LYS A 50 -17.878 5.693 -5.520 1.00 1.35 C ATOM 825 CE LYS A 50 -18.066 6.613 -6.713 1.00 1.53 C ATOM 826 NZ LYS A 50 -18.044 5.861 -7.994 1.00 2.16 N ATOM 0 H LYS A 50 -15.088 6.356 -3.198 1.00 0.33 H new ATOM 0 HA LYS A 50 -15.683 9.033 -3.161 1.00 0.36 H new ATOM 0 HB2 LYS A 50 -17.416 8.495 -4.753 1.00 0.47 H new ATOM 0 HB3 LYS A 50 -16.065 7.413 -5.027 1.00 0.47 H new ATOM 0 HG2 LYS A 50 -17.444 5.804 -3.420 1.00 0.87 H new ATOM 0 HG3 LYS A 50 -18.789 6.807 -3.926 1.00 0.87 H new ATOM 0 HD2 LYS A 50 -16.969 5.107 -5.654 1.00 1.35 H new ATOM 0 HD3 LYS A 50 -18.708 4.988 -5.472 1.00 1.35 H new ATOM 0 HE2 LYS A 50 -19.014 7.143 -6.618 1.00 1.53 H new ATOM 0 HE3 LYS A 50 -17.278 7.367 -6.719 1.00 1.53 H new ATOM 0 HZ1 LYS A 50 -18.358 6.482 -8.767 1.00 2.16 H new ATOM 0 HZ2 LYS A 50 -17.077 5.531 -8.186 1.00 2.16 H new ATOM 0 HZ3 LYS A 50 -18.682 5.042 -7.927 1.00 2.16 H new ATOM 840 N LYS A 51 -17.853 7.389 -1.302 1.00 0.45 N ATOM 841 CA LYS A 51 -18.896 7.601 -0.289 1.00 0.53 C ATOM 842 C LYS A 51 -18.348 8.447 0.860 1.00 0.48 C ATOM 843 O LYS A 51 -19.043 9.286 1.433 1.00 0.51 O ATOM 844 CB LYS A 51 -19.445 6.259 0.242 1.00 0.67 C ATOM 845 CG LYS A 51 -18.514 5.492 1.185 1.00 0.91 C ATOM 846 CD LYS A 51 -17.213 5.068 0.514 1.00 1.00 C ATOM 847 CE LYS A 51 -17.333 3.763 -0.269 1.00 0.65 C ATOM 848 NZ LYS A 51 -18.571 3.662 -1.095 1.00 1.25 N ATOM 0 H LYS A 51 -17.584 6.415 -1.440 1.00 0.45 H new ATOM 0 HA LYS A 51 -19.722 8.134 -0.760 1.00 0.53 H new ATOM 0 HB2 LYS A 51 -20.383 6.451 0.763 1.00 0.67 H new ATOM 0 HB3 LYS A 51 -19.678 5.620 -0.609 1.00 0.67 H new ATOM 0 HG2 LYS A 51 -18.285 6.116 2.049 1.00 0.91 H new ATOM 0 HG3 LYS A 51 -19.030 4.607 1.558 1.00 0.91 H new ATOM 0 HD2 LYS A 51 -16.886 5.859 -0.161 1.00 1.00 H new ATOM 0 HD3 LYS A 51 -16.440 4.957 1.274 1.00 1.00 H new ATOM 0 HE2 LYS A 51 -16.465 3.661 -0.920 1.00 0.65 H new ATOM 0 HE3 LYS A 51 -17.306 2.928 0.431 1.00 0.65 H new ATOM 0 HZ1 LYS A 51 -18.549 2.781 -1.648 1.00 1.25 H new ATOM 0 HZ2 LYS A 51 -19.404 3.659 -0.473 1.00 1.25 H new ATOM 0 HZ3 LYS A 51 -18.624 4.475 -1.741 1.00 1.25 H new ATOM 862 N GLU A 52 -17.091 8.203 1.173 1.00 0.44 N ATOM 863 CA GLU A 52 -16.361 8.922 2.198 1.00 0.42 C ATOM 864 C GLU A 52 -15.979 10.312 1.692 1.00 0.38 C ATOM 865 O GLU A 52 -15.954 11.278 2.446 1.00 0.39 O ATOM 866 CB GLU A 52 -15.131 8.089 2.550 1.00 0.47 C ATOM 867 CG GLU A 52 -14.313 8.592 3.716 1.00 1.01 C ATOM 868 CD GLU A 52 -13.363 7.523 4.208 1.00 1.53 C ATOM 869 OE1 GLU A 52 -13.661 6.892 5.247 1.00 2.13 O ATOM 870 OE2 GLU A 52 -12.340 7.280 3.541 1.00 2.12 O ATOM 0 H GLU A 52 -16.536 7.483 0.711 1.00 0.44 H new ATOM 0 HA GLU A 52 -16.970 9.068 3.090 1.00 0.42 H new ATOM 0 HB2 GLU A 52 -15.454 7.071 2.768 1.00 0.47 H new ATOM 0 HB3 GLU A 52 -14.486 8.037 1.673 1.00 0.47 H new ATOM 0 HG2 GLU A 52 -13.749 9.475 3.416 1.00 1.01 H new ATOM 0 HG3 GLU A 52 -14.976 8.897 4.526 1.00 1.01 H new ATOM 877 N ASN A 53 -15.728 10.389 0.387 1.00 0.37 N ATOM 878 CA ASN A 53 -15.286 11.609 -0.284 1.00 0.39 C ATOM 879 C ASN A 53 -16.367 12.683 -0.248 1.00 0.42 C ATOM 880 O ASN A 53 -16.097 13.868 -0.449 1.00 0.48 O ATOM 881 CB ASN A 53 -14.911 11.277 -1.736 1.00 0.46 C ATOM 882 CG ASN A 53 -14.531 12.492 -2.564 1.00 0.73 C ATOM 883 OD1 ASN A 53 -15.375 13.107 -3.216 1.00 1.70 O ATOM 884 ND2 ASN A 53 -13.254 12.832 -2.563 1.00 1.17 N ATOM 0 H ASN A 53 -15.828 9.593 -0.243 1.00 0.37 H new ATOM 0 HA ASN A 53 -14.415 12.002 0.241 1.00 0.39 H new ATOM 0 HB2 ASN A 53 -14.077 10.575 -1.735 1.00 0.46 H new ATOM 0 HB3 ASN A 53 -15.752 10.773 -2.212 1.00 0.46 H new ATOM 0 HD21 ASN A 53 -12.938 13.629 -3.116 1.00 1.17 H new ATOM 0 HD22 ASN A 53 -12.584 12.298 -2.010 1.00 1.17 H new ATOM 891 N LYS A 54 -17.590 12.267 0.041 1.00 0.43 N ATOM 892 CA LYS A 54 -18.716 13.179 0.037 1.00 0.49 C ATOM 893 C LYS A 54 -18.762 13.967 1.343 1.00 0.48 C ATOM 894 O LYS A 54 -19.453 14.982 1.448 1.00 0.59 O ATOM 895 CB LYS A 54 -20.021 12.402 -0.176 1.00 0.57 C ATOM 896 CG LYS A 54 -21.246 13.288 -0.327 1.00 1.16 C ATOM 897 CD LYS A 54 -22.509 12.471 -0.538 1.00 1.67 C ATOM 898 CE LYS A 54 -23.733 13.366 -0.669 1.00 2.44 C ATOM 899 NZ LYS A 54 -23.965 14.179 0.556 1.00 3.34 N ATOM 0 H LYS A 54 -17.825 11.304 0.281 1.00 0.43 H new ATOM 0 HA LYS A 54 -18.597 13.886 -0.784 1.00 0.49 H new ATOM 0 HB2 LYS A 54 -19.922 11.781 -1.066 1.00 0.57 H new ATOM 0 HB3 LYS A 54 -20.173 11.728 0.667 1.00 0.57 H new ATOM 0 HG2 LYS A 54 -21.358 13.908 0.562 1.00 1.16 H new ATOM 0 HG3 LYS A 54 -21.105 13.963 -1.171 1.00 1.16 H new ATOM 0 HD2 LYS A 54 -22.404 11.861 -1.435 1.00 1.67 H new ATOM 0 HD3 LYS A 54 -22.645 11.786 0.299 1.00 1.67 H new ATOM 0 HE2 LYS A 54 -23.607 14.029 -1.525 1.00 2.44 H new ATOM 0 HE3 LYS A 54 -24.611 12.752 -0.868 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 -24.926 14.575 0.533 1.00 3.34 H new ATOM 0 HZ2 LYS A 54 -23.858 13.577 1.397 1.00 3.34 H new ATOM 0 HZ3 LYS A 54 -23.272 14.954 0.595 1.00 3.34 H new ATOM 913 N ASN A 55 -18.004 13.514 2.330 1.00 0.39 N ATOM 914 CA ASN A 55 -17.915 14.212 3.604 1.00 0.41 C ATOM 915 C ASN A 55 -16.458 14.501 3.931 1.00 0.42 C ATOM 916 O ASN A 55 -15.573 13.709 3.622 1.00 0.45 O ATOM 917 CB ASN A 55 -18.537 13.370 4.721 1.00 0.42 C ATOM 918 CG ASN A 55 -20.034 13.157 4.565 1.00 1.01 C ATOM 919 OD1 ASN A 55 -20.564 12.121 4.967 1.00 1.92 O ATOM 920 ND2 ASN A 55 -20.730 14.131 3.996 1.00 1.49 N ATOM 0 H ASN A 55 -17.441 12.665 2.273 1.00 0.39 H new ATOM 0 HA ASN A 55 -18.463 15.151 3.527 1.00 0.41 H new ATOM 0 HB2 ASN A 55 -18.042 12.399 4.751 1.00 0.42 H new ATOM 0 HB3 ASN A 55 -18.346 13.855 5.678 1.00 0.42 H new ATOM 0 HD21 ASN A 55 -21.739 14.036 3.879 1.00 1.49 H new ATOM 0 HD22 ASN A 55 -20.257 14.976 3.675 1.00 1.49 H new ATOM 927 N GLU A 56 -16.210 15.631 4.567 1.00 0.52 N ATOM 928 CA GLU A 56 -14.856 16.014 4.932 1.00 0.57 C ATOM 929 C GLU A 56 -14.499 15.469 6.305 1.00 0.49 C ATOM 930 O GLU A 56 -13.355 15.100 6.560 1.00 0.47 O ATOM 931 CB GLU A 56 -14.698 17.535 4.924 1.00 0.77 C ATOM 932 CG GLU A 56 -14.915 18.165 3.556 1.00 1.34 C ATOM 933 CD GLU A 56 -14.409 19.593 3.480 1.00 1.79 C ATOM 934 OE1 GLU A 56 -13.255 19.794 3.048 1.00 2.23 O ATOM 935 OE2 GLU A 56 -15.158 20.523 3.846 1.00 2.46 O ATOM 0 H GLU A 56 -16.928 16.301 4.842 1.00 0.52 H new ATOM 0 HA GLU A 56 -14.178 15.588 4.192 1.00 0.57 H new ATOM 0 HB2 GLU A 56 -15.406 17.969 5.630 1.00 0.77 H new ATOM 0 HB3 GLU A 56 -13.699 17.790 5.277 1.00 0.77 H new ATOM 0 HG2 GLU A 56 -14.409 17.564 2.800 1.00 1.34 H new ATOM 0 HG3 GLU A 56 -15.978 18.148 3.318 1.00 1.34 H new ATOM 942 N LYS A 57 -15.496 15.400 7.173 1.00 0.48 N ATOM 943 CA LYS A 57 -15.293 14.994 8.555 1.00 0.45 C ATOM 944 C LYS A 57 -14.878 13.532 8.658 1.00 0.39 C ATOM 945 O LYS A 57 -14.154 13.149 9.578 1.00 0.38 O ATOM 946 CB LYS A 57 -16.566 15.241 9.357 1.00 0.50 C ATOM 947 CG LYS A 57 -16.974 16.705 9.389 1.00 0.61 C ATOM 948 CD LYS A 57 -18.340 16.898 10.028 1.00 1.33 C ATOM 949 CE LYS A 57 -18.353 16.438 11.477 1.00 2.03 C ATOM 950 NZ LYS A 57 -19.693 16.601 12.102 1.00 2.50 N ATOM 0 H LYS A 57 -16.464 15.623 6.941 1.00 0.48 H new ATOM 0 HA LYS A 57 -14.481 15.594 8.967 1.00 0.45 H new ATOM 0 HB2 LYS A 57 -17.378 14.653 8.929 1.00 0.50 H new ATOM 0 HB3 LYS A 57 -16.420 14.888 10.378 1.00 0.50 H new ATOM 0 HG2 LYS A 57 -16.230 17.277 9.943 1.00 0.61 H new ATOM 0 HG3 LYS A 57 -16.989 17.100 8.373 1.00 0.61 H new ATOM 0 HD2 LYS A 57 -18.620 17.950 9.978 1.00 1.33 H new ATOM 0 HD3 LYS A 57 -19.088 16.342 9.463 1.00 1.33 H new ATOM 0 HE2 LYS A 57 -18.054 15.391 11.528 1.00 2.03 H new ATOM 0 HE3 LYS A 57 -17.617 17.007 12.045 1.00 2.03 H new ATOM 0 HZ1 LYS A 57 -19.658 16.276 13.089 1.00 2.50 H new ATOM 0 HZ2 LYS A 57 -19.968 17.604 12.078 1.00 2.50 H new ATOM 0 HZ3 LYS A 57 -20.392 16.038 11.577 1.00 2.50 H new ATOM 964 N VAL A 58 -15.330 12.720 7.713 1.00 0.37 N ATOM 965 CA VAL A 58 -14.968 11.309 7.695 1.00 0.35 C ATOM 966 C VAL A 58 -13.488 11.167 7.361 1.00 0.34 C ATOM 967 O VAL A 58 -12.763 10.381 7.979 1.00 0.34 O ATOM 968 CB VAL A 58 -15.812 10.515 6.676 1.00 0.35 C ATOM 969 CG1 VAL A 58 -15.629 9.019 6.875 1.00 0.66 C ATOM 970 CG2 VAL A 58 -17.282 10.891 6.786 1.00 0.62 C ATOM 0 H VAL A 58 -15.944 13.011 6.953 1.00 0.37 H new ATOM 0 HA VAL A 58 -15.169 10.897 8.684 1.00 0.35 H new ATOM 0 HB VAL A 58 -15.466 10.773 5.675 1.00 0.35 H new ATOM 0 HG11 VAL A 58 -16.233 8.478 6.146 1.00 0.66 H new ATOM 0 HG12 VAL A 58 -14.579 8.760 6.740 1.00 0.66 H new ATOM 0 HG13 VAL A 58 -15.944 8.745 7.882 1.00 0.66 H new ATOM 0 HG21 VAL A 58 -17.859 10.320 6.059 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -17.641 10.667 7.791 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -17.401 11.956 6.587 1.00 0.62 H new ATOM 980 N ILE A 59 -13.042 11.972 6.407 1.00 0.35 N ATOM 981 CA ILE A 59 -11.642 12.009 6.021 1.00 0.35 C ATOM 982 C ILE A 59 -10.801 12.569 7.162 1.00 0.35 C ATOM 983 O ILE A 59 -9.691 12.109 7.409 1.00 0.35 O ATOM 984 CB ILE A 59 -11.440 12.870 4.761 1.00 0.37 C ATOM 985 CG1 ILE A 59 -12.369 12.387 3.646 1.00 0.44 C ATOM 986 CG2 ILE A 59 -9.987 12.817 4.305 1.00 0.37 C ATOM 987 CD1 ILE A 59 -12.393 13.293 2.438 1.00 1.05 C ATOM 0 H ILE A 59 -13.637 12.613 5.883 1.00 0.35 H new ATOM 0 HA ILE A 59 -11.325 10.990 5.800 1.00 0.35 H new ATOM 0 HB ILE A 59 -11.685 13.905 5.000 1.00 0.37 H new ATOM 0 HG12 ILE A 59 -12.059 11.389 3.334 1.00 0.44 H new ATOM 0 HG13 ILE A 59 -13.381 12.298 4.042 1.00 0.44 H new ATOM 0 HG21 ILE A 59 -9.863 13.431 3.413 1.00 0.37 H new ATOM 0 HG22 ILE A 59 -9.343 13.195 5.099 1.00 0.37 H new ATOM 0 HG23 ILE A 59 -9.715 11.787 4.076 1.00 0.37 H new ATOM 0 HD11 ILE A 59 -13.074 12.885 1.691 1.00 1.05 H new ATOM 0 HD12 ILE A 59 -12.732 14.286 2.734 1.00 1.05 H new ATOM 0 HD13 ILE A 59 -11.391 13.363 2.016 1.00 1.05 H new ATOM 999 N GLU A 60 -11.349 13.562 7.859 1.00 0.36 N ATOM 1000 CA GLU A 60 -10.701 14.131 9.037 1.00 0.39 C ATOM 1001 C GLU A 60 -10.476 13.065 10.101 1.00 0.36 C ATOM 1002 O GLU A 60 -9.475 13.092 10.819 1.00 0.38 O ATOM 1003 CB GLU A 60 -11.529 15.277 9.616 1.00 0.45 C ATOM 1004 CG GLU A 60 -11.544 16.519 8.744 1.00 0.60 C ATOM 1005 CD GLU A 60 -12.376 17.632 9.341 1.00 1.05 C ATOM 1006 OE1 GLU A 60 -13.421 17.975 8.756 1.00 1.86 O ATOM 1007 OE2 GLU A 60 -11.987 18.174 10.400 1.00 1.69 O ATOM 0 H GLU A 60 -12.245 13.991 7.626 1.00 0.36 H new ATOM 0 HA GLU A 60 -9.733 14.523 8.724 1.00 0.39 H new ATOM 0 HB2 GLU A 60 -12.553 14.935 9.764 1.00 0.45 H new ATOM 0 HB3 GLU A 60 -11.135 15.538 10.598 1.00 0.45 H new ATOM 0 HG2 GLU A 60 -10.522 16.870 8.599 1.00 0.60 H new ATOM 0 HG3 GLU A 60 -11.936 16.264 7.759 1.00 0.60 H new ATOM 1014 N HIS A 61 -11.411 12.129 10.207 1.00 0.35 N ATOM 1015 CA HIS A 61 -11.276 11.041 11.163 1.00 0.37 C ATOM 1016 C HIS A 61 -10.056 10.190 10.821 1.00 0.37 C ATOM 1017 O HIS A 61 -9.230 9.921 11.680 1.00 0.39 O ATOM 1018 CB HIS A 61 -12.538 10.173 11.189 1.00 0.41 C ATOM 1019 CG HIS A 61 -12.506 9.104 12.241 1.00 0.86 C ATOM 1020 ND1 HIS A 61 -12.869 9.330 13.549 1.00 1.01 N ATOM 1021 CD2 HIS A 61 -12.149 7.798 12.172 1.00 1.67 C ATOM 1022 CE1 HIS A 61 -12.736 8.214 14.240 1.00 1.43 C ATOM 1023 NE2 HIS A 61 -12.301 7.271 13.429 1.00 1.87 N ATOM 0 H HIS A 61 -12.263 12.102 9.647 1.00 0.35 H new ATOM 0 HA HIS A 61 -11.141 11.473 12.155 1.00 0.37 H new ATOM 0 HB2 HIS A 61 -13.405 10.811 11.357 1.00 0.41 H new ATOM 0 HB3 HIS A 61 -12.669 9.707 10.212 1.00 0.41 H new ATOM 0 HD2 HIS A 61 -11.809 7.272 11.292 1.00 1.67 H new ATOM 0 HE1 HIS A 61 -12.948 8.094 15.292 1.00 1.43 H new ATOM 0 HE2 HIS A 61 -12.108 6.305 13.693 1.00 1.87 H new ATOM 1032 N ILE A 62 -9.935 9.795 9.559 1.00 0.37 N ATOM 1033 CA ILE A 62 -8.791 8.996 9.117 1.00 0.42 C ATOM 1034 C ILE A 62 -7.506 9.809 9.221 1.00 0.41 C ATOM 1035 O ILE A 62 -6.443 9.292 9.566 1.00 0.46 O ATOM 1036 CB ILE A 62 -8.957 8.525 7.671 1.00 0.48 C ATOM 1037 CG1 ILE A 62 -10.299 7.825 7.491 1.00 0.52 C ATOM 1038 CG2 ILE A 62 -7.816 7.598 7.283 1.00 0.56 C ATOM 1039 CD1 ILE A 62 -10.599 7.498 6.054 1.00 1.18 C ATOM 0 H ILE A 62 -10.609 10.012 8.825 1.00 0.37 H new ATOM 0 HA ILE A 62 -8.738 8.123 9.768 1.00 0.42 H new ATOM 0 HB ILE A 62 -8.932 9.396 7.016 1.00 0.48 H new ATOM 0 HG12 ILE A 62 -10.305 6.906 8.077 1.00 0.52 H new ATOM 0 HG13 ILE A 62 -11.091 8.461 7.887 1.00 0.52 H new ATOM 0 HG21 ILE A 62 -7.948 7.271 6.252 1.00 0.56 H new ATOM 0 HG22 ILE A 62 -6.868 8.128 7.377 1.00 0.56 H new ATOM 0 HG23 ILE A 62 -7.813 6.729 7.941 1.00 0.56 H new ATOM 0 HD11 ILE A 62 -11.567 7.001 5.988 1.00 1.18 H new ATOM 0 HD12 ILE A 62 -10.623 8.417 5.469 1.00 1.18 H new ATOM 0 HD13 ILE A 62 -9.825 6.838 5.662 1.00 1.18 H new ATOM 1051 N MET A 63 -7.665 11.086 8.965 1.00 0.37 N ATOM 1052 CA MET A 63 -6.595 12.030 9.081 1.00 0.41 C ATOM 1053 C MET A 63 -5.947 11.930 10.455 1.00 0.45 C ATOM 1054 O MET A 63 -4.733 11.773 10.539 1.00 0.59 O ATOM 1055 CB MET A 63 -7.130 13.443 8.829 1.00 0.44 C ATOM 1056 CG MET A 63 -6.113 14.440 8.290 1.00 0.65 C ATOM 1057 SD MET A 63 -4.781 14.840 9.441 1.00 1.05 S ATOM 1058 CE MET A 63 -3.451 13.808 8.815 1.00 0.60 C ATOM 0 H MET A 63 -8.551 11.496 8.668 1.00 0.37 H new ATOM 0 HA MET A 63 -5.833 11.806 8.335 1.00 0.41 H new ATOM 0 HB2 MET A 63 -7.959 13.379 8.124 1.00 0.44 H new ATOM 0 HB3 MET A 63 -7.535 13.832 9.763 1.00 0.44 H new ATOM 0 HG2 MET A 63 -5.678 14.038 7.375 1.00 0.65 H new ATOM 0 HG3 MET A 63 -6.632 15.360 8.019 1.00 0.65 H new ATOM 0 HE1 MET A 63 -2.980 13.279 9.644 1.00 0.60 H new ATOM 0 HE2 MET A 63 -3.854 13.085 8.106 1.00 0.60 H new ATOM 0 HE3 MET A 63 -2.710 14.432 8.315 1.00 0.60 H new ATOM 1068 N GLU A 64 -6.710 11.968 11.559 1.00 0.43 N ATOM 1069 CA GLU A 64 -5.995 12.152 12.800 1.00 0.46 C ATOM 1070 C GLU A 64 -6.091 10.895 13.662 1.00 0.48 C ATOM 1071 O GLU A 64 -5.211 10.634 14.480 1.00 0.50 O ATOM 1072 CB GLU A 64 -6.586 13.353 13.535 1.00 0.57 C ATOM 1073 CG GLU A 64 -5.861 13.726 14.810 1.00 1.17 C ATOM 1074 CD GLU A 64 -6.555 14.850 15.543 1.00 1.69 C ATOM 1075 OE1 GLU A 64 -6.528 15.993 15.043 1.00 2.37 O ATOM 1076 OE2 GLU A 64 -7.140 14.590 16.617 1.00 2.13 O ATOM 0 H GLU A 64 -7.725 11.882 11.610 1.00 0.43 H new ATOM 0 HA GLU A 64 -4.941 12.335 12.592 1.00 0.46 H new ATOM 0 HB2 GLU A 64 -6.581 14.212 12.864 1.00 0.57 H new ATOM 0 HB3 GLU A 64 -7.628 13.141 13.773 1.00 0.57 H new ATOM 0 HG2 GLU A 64 -5.797 12.853 15.460 1.00 1.17 H new ATOM 0 HG3 GLU A 64 -4.839 14.023 14.573 1.00 1.17 H new ATOM 1083 N ASP A 65 -7.164 10.135 13.523 1.00 0.49 N ATOM 1084 CA ASP A 65 -7.244 8.835 14.188 1.00 0.55 C ATOM 1085 C ASP A 65 -6.096 7.909 13.750 1.00 0.52 C ATOM 1086 O ASP A 65 -5.541 7.185 14.574 1.00 0.58 O ATOM 1087 CB ASP A 65 -8.589 8.160 13.921 1.00 0.60 C ATOM 1088 CG ASP A 65 -8.697 6.801 14.581 1.00 1.29 C ATOM 1089 OD1 ASP A 65 -8.958 6.750 15.802 1.00 1.88 O ATOM 1090 OD2 ASP A 65 -8.549 5.782 13.879 1.00 1.93 O ATOM 0 H ASP A 65 -7.982 10.385 12.967 1.00 0.49 H new ATOM 0 HA ASP A 65 -7.151 9.016 15.259 1.00 0.55 H new ATOM 0 HB2 ASP A 65 -9.392 8.801 14.284 1.00 0.60 H new ATOM 0 HB3 ASP A 65 -8.730 8.050 12.846 1.00 0.60 H new ATOM 1095 N LEU A 66 -5.735 7.931 12.460 1.00 0.47 N ATOM 1096 CA LEU A 66 -4.603 7.135 11.973 1.00 0.50 C ATOM 1097 C LEU A 66 -3.276 7.779 12.340 1.00 0.53 C ATOM 1098 O LEU A 66 -2.224 7.146 12.257 1.00 0.64 O ATOM 1099 CB LEU A 66 -4.661 6.947 10.459 1.00 0.47 C ATOM 1100 CG LEU A 66 -5.559 5.815 9.968 1.00 0.54 C ATOM 1101 CD1 LEU A 66 -7.020 6.110 10.246 1.00 1.26 C ATOM 1102 CD2 LEU A 66 -5.315 5.566 8.490 1.00 1.25 C ATOM 0 H LEU A 66 -6.204 8.484 11.743 1.00 0.47 H new ATOM 0 HA LEU A 66 -4.676 6.161 12.456 1.00 0.50 H new ATOM 0 HB2 LEU A 66 -5.002 7.879 10.008 1.00 0.47 H new ATOM 0 HB3 LEU A 66 -3.650 6.768 10.094 1.00 0.47 H new ATOM 0 HG LEU A 66 -5.307 4.908 10.518 1.00 0.54 H new ATOM 0 HD11 LEU A 66 -7.633 5.285 9.884 1.00 1.26 H new ATOM 0 HD12 LEU A 66 -7.169 6.230 11.319 1.00 1.26 H new ATOM 0 HD13 LEU A 66 -7.309 7.028 9.735 1.00 1.26 H new ATOM 0 HD21 LEU A 66 -5.959 4.757 8.146 1.00 1.25 H new ATOM 0 HD22 LEU A 66 -5.538 6.472 7.927 1.00 1.25 H new ATOM 0 HD23 LEU A 66 -4.272 5.290 8.335 1.00 1.25 H new ATOM 1114 N ASP A 67 -3.341 9.045 12.712 1.00 0.48 N ATOM 1115 CA ASP A 67 -2.180 9.793 13.165 1.00 0.56 C ATOM 1116 C ASP A 67 -1.706 9.251 14.518 1.00 0.63 C ATOM 1117 O ASP A 67 -1.993 9.799 15.584 1.00 0.60 O ATOM 1118 CB ASP A 67 -2.549 11.281 13.220 1.00 0.55 C ATOM 1119 CG ASP A 67 -1.551 12.150 13.946 1.00 0.69 C ATOM 1120 OD1 ASP A 67 -0.348 12.116 13.619 1.00 1.27 O ATOM 1121 OD2 ASP A 67 -1.986 12.909 14.838 1.00 1.39 O ATOM 0 H ASP A 67 -4.205 9.587 12.709 1.00 0.48 H new ATOM 0 HA ASP A 67 -1.347 9.677 12.472 1.00 0.56 H new ATOM 0 HB2 ASP A 67 -2.660 11.652 12.201 1.00 0.55 H new ATOM 0 HB3 ASP A 67 -3.520 11.383 13.704 1.00 0.55 H new ATOM 1126 N THR A 68 -1.009 8.131 14.437 1.00 0.84 N ATOM 1127 CA THR A 68 -0.460 7.434 15.592 1.00 1.02 C ATOM 1128 C THR A 68 0.672 8.224 16.232 1.00 1.00 C ATOM 1129 O THR A 68 0.929 8.114 17.434 1.00 1.06 O ATOM 1130 CB THR A 68 0.071 6.048 15.181 1.00 1.39 C ATOM 1131 OG1 THR A 68 1.054 6.174 14.142 1.00 1.75 O ATOM 1132 CG2 THR A 68 -1.062 5.167 14.692 1.00 1.98 C ATOM 0 H THR A 68 -0.804 7.670 13.551 1.00 0.84 H new ATOM 0 HA THR A 68 -1.267 7.323 16.317 1.00 1.02 H new ATOM 0 HB THR A 68 0.529 5.590 16.058 1.00 1.39 H new ATOM 0 HG1 THR A 68 1.055 7.093 13.802 1.00 1.75 H new ATOM 0 HG21 THR A 68 -0.667 4.192 14.406 1.00 1.98 H new ATOM 0 HG22 THR A 68 -1.796 5.042 15.488 1.00 1.98 H new ATOM 0 HG23 THR A 68 -1.539 5.633 13.829 1.00 1.98 H new ATOM 1140 N ASN A 69 1.345 9.018 15.419 1.00 1.02 N ATOM 1141 CA ASN A 69 2.440 9.846 15.904 1.00 1.11 C ATOM 1142 C ASN A 69 1.892 11.167 16.428 1.00 1.02 C ATOM 1143 O ASN A 69 2.640 12.025 16.903 1.00 1.11 O ATOM 1144 CB ASN A 69 3.463 10.090 14.793 1.00 1.28 C ATOM 1145 CG ASN A 69 4.164 8.817 14.352 1.00 1.74 C ATOM 1146 OD1 ASN A 69 4.405 7.911 15.152 1.00 2.25 O ATOM 1147 ND2 ASN A 69 4.483 8.731 13.069 1.00 2.24 N ATOM 0 H ASN A 69 1.155 9.109 14.421 1.00 1.02 H new ATOM 0 HA ASN A 69 2.944 9.325 16.718 1.00 1.11 H new ATOM 0 HB2 ASN A 69 2.962 10.540 13.936 1.00 1.28 H new ATOM 0 HB3 ASN A 69 4.206 10.808 15.140 1.00 1.28 H new ATOM 0 HD21 ASN A 69 4.944 7.894 12.713 1.00 2.24 H new ATOM 0 HD22 ASN A 69 4.267 9.502 12.437 1.00 2.24 H new ATOM 1154 N ALA A 70 0.573 11.300 16.327 1.00 0.88 N ATOM 1155 CA ALA A 70 -0.191 12.346 17.004 1.00 0.92 C ATOM 1156 C ALA A 70 0.284 13.760 16.669 1.00 0.98 C ATOM 1157 O ALA A 70 0.351 14.624 17.544 1.00 1.15 O ATOM 1158 CB ALA A 70 -0.169 12.109 18.501 1.00 1.06 C ATOM 0 H ALA A 70 -0.005 10.676 15.764 1.00 0.88 H new ATOM 0 HA ALA A 70 -1.215 12.282 16.635 1.00 0.92 H new ATOM 0 HB1 ALA A 70 -0.740 12.891 19.002 1.00 1.06 H new ATOM 0 HB2 ALA A 70 -0.612 11.138 18.722 1.00 1.06 H new ATOM 0 HB3 ALA A 70 0.861 12.127 18.857 1.00 1.06 H new ATOM 1164 N ASP A 71 0.590 14.005 15.403 1.00 0.90 N ATOM 1165 CA ASP A 71 1.003 15.334 14.975 1.00 0.99 C ATOM 1166 C ASP A 71 0.009 15.908 13.966 1.00 0.89 C ATOM 1167 O ASP A 71 0.269 16.932 13.337 1.00 0.92 O ATOM 1168 CB ASP A 71 2.411 15.295 14.377 1.00 1.10 C ATOM 1169 CG ASP A 71 3.090 16.650 14.413 1.00 1.34 C ATOM 1170 OD1 ASP A 71 3.614 17.023 15.485 1.00 1.95 O ATOM 1171 OD2 ASP A 71 3.113 17.345 13.378 1.00 1.95 O ATOM 0 H ASP A 71 0.561 13.307 14.659 1.00 0.90 H new ATOM 0 HA ASP A 71 1.019 15.984 15.850 1.00 0.99 H new ATOM 0 HB2 ASP A 71 3.016 14.573 14.926 1.00 1.10 H new ATOM 0 HB3 ASP A 71 2.356 14.946 13.346 1.00 1.10 H new ATOM 1176 N LYS A 72 -1.137 15.236 13.824 1.00 0.81 N ATOM 1177 CA LYS A 72 -2.156 15.617 12.842 1.00 0.77 C ATOM 1178 C LYS A 72 -1.577 15.467 11.456 1.00 0.67 C ATOM 1179 O LYS A 72 -1.805 16.286 10.560 1.00 0.68 O ATOM 1180 CB LYS A 72 -2.655 17.052 13.054 1.00 0.91 C ATOM 1181 CG LYS A 72 -3.649 17.225 14.194 1.00 1.08 C ATOM 1182 CD LYS A 72 -2.993 17.205 15.569 1.00 1.33 C ATOM 1183 CE LYS A 72 -3.006 15.816 16.188 1.00 1.21 C ATOM 1184 NZ LYS A 72 -2.335 15.796 17.514 1.00 1.64 N ATOM 0 H LYS A 72 -1.383 14.419 14.382 1.00 0.81 H new ATOM 0 HA LYS A 72 -3.016 14.959 12.967 1.00 0.77 H new ATOM 0 HB2 LYS A 72 -1.795 17.696 13.240 1.00 0.91 H new ATOM 0 HB3 LYS A 72 -3.119 17.399 12.131 1.00 0.91 H new ATOM 0 HG2 LYS A 72 -4.180 18.168 14.065 1.00 1.08 H new ATOM 0 HG3 LYS A 72 -4.394 16.431 14.142 1.00 1.08 H new ATOM 0 HD2 LYS A 72 -1.964 17.554 15.484 1.00 1.33 H new ATOM 0 HD3 LYS A 72 -3.513 17.900 16.228 1.00 1.33 H new ATOM 0 HE2 LYS A 72 -4.036 15.476 16.297 1.00 1.21 H new ATOM 0 HE3 LYS A 72 -2.508 15.115 15.518 1.00 1.21 H new ATOM 0 HZ1 LYS A 72 -2.744 15.039 18.099 1.00 1.64 H new ATOM 0 HZ2 LYS A 72 -1.318 15.623 17.386 1.00 1.64 H new ATOM 0 HZ3 LYS A 72 -2.473 16.712 17.987 1.00 1.64 H new ATOM 1198 N GLN A 73 -0.808 14.413 11.313 1.00 0.61 N ATOM 1199 CA GLN A 73 -0.094 14.127 10.095 1.00 0.56 C ATOM 1200 C GLN A 73 -0.094 12.623 9.877 1.00 0.54 C ATOM 1201 O GLN A 73 -0.430 11.873 10.787 1.00 0.60 O ATOM 1202 CB GLN A 73 1.335 14.655 10.205 1.00 0.62 C ATOM 1203 CG GLN A 73 1.444 16.171 10.169 1.00 0.63 C ATOM 1204 CD GLN A 73 2.882 16.652 10.130 1.00 0.69 C ATOM 1205 OE1 GLN A 73 3.178 17.716 9.583 1.00 1.03 O ATOM 1206 NE2 GLN A 73 3.788 15.876 10.708 1.00 1.59 N ATOM 0 H GLN A 73 -0.660 13.723 12.049 1.00 0.61 H new ATOM 0 HA GLN A 73 -0.576 14.615 9.247 1.00 0.56 H new ATOM 0 HB2 GLN A 73 1.774 14.292 11.135 1.00 0.62 H new ATOM 0 HB3 GLN A 73 1.927 14.240 9.390 1.00 0.62 H new ATOM 0 HG2 GLN A 73 0.915 16.549 9.294 1.00 0.63 H new ATOM 0 HG3 GLN A 73 0.949 16.588 11.046 1.00 0.63 H new ATOM 0 HE21 GLN A 73 3.503 15.002 11.151 1.00 1.59 H new ATOM 0 HE22 GLN A 73 4.770 16.153 10.710 1.00 1.59 H new ATOM 1215 N LEU A 74 0.269 12.180 8.690 1.00 0.53 N ATOM 1216 CA LEU A 74 0.291 10.756 8.411 1.00 0.53 C ATOM 1217 C LEU A 74 1.614 10.357 7.803 1.00 0.51 C ATOM 1218 O LEU A 74 1.937 10.740 6.681 1.00 0.53 O ATOM 1219 CB LEU A 74 -0.852 10.345 7.481 1.00 0.56 C ATOM 1220 CG LEU A 74 -2.258 10.507 8.060 1.00 0.62 C ATOM 1221 CD1 LEU A 74 -3.293 9.935 7.108 1.00 0.60 C ATOM 1222 CD2 LEU A 74 -2.362 9.840 9.425 1.00 0.70 C ATOM 0 H LEU A 74 0.550 12.776 7.911 1.00 0.53 H new ATOM 0 HA LEU A 74 0.159 10.236 9.360 1.00 0.53 H new ATOM 0 HB2 LEU A 74 -0.784 10.934 6.567 1.00 0.56 H new ATOM 0 HB3 LEU A 74 -0.711 9.302 7.199 1.00 0.56 H new ATOM 0 HG LEU A 74 -2.454 11.572 8.186 1.00 0.62 H new ATOM 0 HD11 LEU A 74 -4.288 10.058 7.535 1.00 0.60 H new ATOM 0 HD12 LEU A 74 -3.240 10.460 6.154 1.00 0.60 H new ATOM 0 HD13 LEU A 74 -3.095 8.875 6.950 1.00 0.60 H new ATOM 0 HD21 LEU A 74 -3.371 9.968 9.817 1.00 0.70 H new ATOM 0 HD22 LEU A 74 -2.143 8.777 9.328 1.00 0.70 H new ATOM 0 HD23 LEU A 74 -1.646 10.297 10.109 1.00 0.70 H new ATOM 1234 N SER A 75 2.360 9.579 8.547 1.00 0.52 N ATOM 1235 CA SER A 75 3.612 9.042 8.082 1.00 0.54 C ATOM 1236 C SER A 75 3.333 7.900 7.120 1.00 0.46 C ATOM 1237 O SER A 75 2.184 7.467 6.990 1.00 0.44 O ATOM 1238 CB SER A 75 4.440 8.555 9.276 1.00 0.64 C ATOM 1239 OG SER A 75 5.749 8.175 8.887 1.00 1.42 O ATOM 0 H SER A 75 2.114 9.300 9.497 1.00 0.52 H new ATOM 0 HA SER A 75 4.180 9.814 7.563 1.00 0.54 H new ATOM 0 HB2 SER A 75 4.498 9.345 10.025 1.00 0.64 H new ATOM 0 HB3 SER A 75 3.939 7.708 9.745 1.00 0.64 H new ATOM 0 HG SER A 75 6.249 7.872 9.673 1.00 1.42 H new ATOM 1245 N PHE A 76 4.365 7.422 6.450 1.00 0.53 N ATOM 1246 CA PHE A 76 4.221 6.319 5.502 1.00 0.54 C ATOM 1247 C PHE A 76 3.453 5.151 6.124 1.00 0.42 C ATOM 1248 O PHE A 76 2.543 4.604 5.506 1.00 0.42 O ATOM 1249 CB PHE A 76 5.595 5.838 5.022 1.00 0.67 C ATOM 1250 CG PHE A 76 6.613 6.937 4.895 1.00 1.35 C ATOM 1251 CD1 PHE A 76 6.500 7.900 3.906 1.00 2.11 C ATOM 1252 CD2 PHE A 76 7.687 7.004 5.770 1.00 2.14 C ATOM 1253 CE1 PHE A 76 7.438 8.909 3.790 1.00 2.86 C ATOM 1254 CE2 PHE A 76 8.628 8.010 5.658 1.00 2.90 C ATOM 1255 CZ PHE A 76 8.503 8.963 4.668 1.00 3.07 C ATOM 0 H PHE A 76 5.317 7.777 6.541 1.00 0.53 H new ATOM 0 HA PHE A 76 3.654 6.690 4.648 1.00 0.54 H new ATOM 0 HB2 PHE A 76 5.970 5.087 5.717 1.00 0.67 H new ATOM 0 HB3 PHE A 76 5.481 5.348 4.055 1.00 0.67 H new ATOM 0 HD1 PHE A 76 5.669 7.862 3.217 1.00 2.11 H new ATOM 0 HD2 PHE A 76 7.789 6.262 6.548 1.00 2.14 H new ATOM 0 HE1 PHE A 76 7.338 9.654 3.014 1.00 2.86 H new ATOM 0 HE2 PHE A 76 9.461 8.050 6.345 1.00 2.90 H new ATOM 0 HZ PHE A 76 9.237 9.750 4.580 1.00 3.07 H new ATOM 1265 N GLU A 77 3.797 4.803 7.359 1.00 0.40 N ATOM 1266 CA GLU A 77 3.152 3.691 8.057 1.00 0.35 C ATOM 1267 C GLU A 77 1.690 4.000 8.384 1.00 0.30 C ATOM 1268 O GLU A 77 0.837 3.112 8.373 1.00 0.28 O ATOM 1269 CB GLU A 77 3.912 3.372 9.343 1.00 0.45 C ATOM 1270 CG GLU A 77 5.348 2.935 9.107 1.00 0.59 C ATOM 1271 CD GLU A 77 6.123 2.793 10.398 1.00 1.38 C ATOM 1272 OE1 GLU A 77 6.239 1.664 10.912 1.00 2.03 O ATOM 1273 OE2 GLU A 77 6.612 3.820 10.911 1.00 2.02 O ATOM 0 H GLU A 77 4.521 5.275 7.901 1.00 0.40 H new ATOM 0 HA GLU A 77 3.172 2.827 7.393 1.00 0.35 H new ATOM 0 HB2 GLU A 77 3.910 4.253 9.985 1.00 0.45 H new ATOM 0 HB3 GLU A 77 3.385 2.584 9.881 1.00 0.45 H new ATOM 0 HG2 GLU A 77 5.353 1.983 8.576 1.00 0.59 H new ATOM 0 HG3 GLU A 77 5.846 3.661 8.465 1.00 0.59 H new ATOM 1280 N GLU A 78 1.403 5.261 8.664 1.00 0.36 N ATOM 1281 CA GLU A 78 0.068 5.668 9.062 1.00 0.40 C ATOM 1282 C GLU A 78 -0.862 5.714 7.845 1.00 0.32 C ATOM 1283 O GLU A 78 -1.964 5.143 7.854 1.00 0.32 O ATOM 1284 CB GLU A 78 0.147 7.019 9.789 1.00 0.57 C ATOM 1285 CG GLU A 78 1.217 7.015 10.877 1.00 1.65 C ATOM 1286 CD GLU A 78 1.354 8.334 11.616 1.00 2.54 C ATOM 1287 OE1 GLU A 78 0.987 8.392 12.798 1.00 3.17 O ATOM 1288 OE2 GLU A 78 1.857 9.306 11.027 1.00 3.18 O ATOM 0 H GLU A 78 2.081 6.022 8.622 1.00 0.36 H new ATOM 0 HA GLU A 78 -0.355 4.938 9.753 1.00 0.40 H new ATOM 0 HB2 GLU A 78 0.364 7.807 9.068 1.00 0.57 H new ATOM 0 HB3 GLU A 78 -0.821 7.250 10.232 1.00 0.57 H new ATOM 0 HG2 GLU A 78 0.985 6.230 11.597 1.00 1.65 H new ATOM 0 HG3 GLU A 78 2.177 6.762 10.427 1.00 1.65 H new ATOM 1295 N PHE A 79 -0.417 6.334 6.760 1.00 0.34 N ATOM 1296 CA PHE A 79 -1.251 6.365 5.576 1.00 0.39 C ATOM 1297 C PHE A 79 -1.314 4.981 4.931 1.00 0.34 C ATOM 1298 O PHE A 79 -2.296 4.643 4.280 1.00 0.40 O ATOM 1299 CB PHE A 79 -0.851 7.466 4.564 1.00 0.53 C ATOM 1300 CG PHE A 79 0.459 7.296 3.830 1.00 1.13 C ATOM 1301 CD1 PHE A 79 1.490 8.204 4.019 1.00 2.05 C ATOM 1302 CD2 PHE A 79 0.646 6.263 2.923 1.00 1.95 C ATOM 1303 CE1 PHE A 79 2.677 8.084 3.321 1.00 2.94 C ATOM 1304 CE2 PHE A 79 1.834 6.133 2.229 1.00 2.78 C ATOM 1305 CZ PHE A 79 2.850 7.045 2.427 1.00 3.12 C ATOM 0 H PHE A 79 0.484 6.805 6.678 1.00 0.34 H new ATOM 0 HA PHE A 79 -2.254 6.638 5.903 1.00 0.39 H new ATOM 0 HB2 PHE A 79 -1.645 7.545 3.821 1.00 0.53 H new ATOM 0 HB3 PHE A 79 -0.817 8.416 5.097 1.00 0.53 H new ATOM 0 HD1 PHE A 79 1.364 9.015 4.721 1.00 2.05 H new ATOM 0 HD2 PHE A 79 -0.148 5.550 2.757 1.00 1.95 H new ATOM 0 HE1 PHE A 79 3.469 8.802 3.474 1.00 2.94 H new ATOM 0 HE2 PHE A 79 1.967 5.318 1.532 1.00 2.78 H new ATOM 0 HZ PHE A 79 3.779 6.947 1.884 1.00 3.12 H new ATOM 1315 N ILE A 80 -0.282 4.160 5.128 1.00 0.27 N ATOM 1316 CA ILE A 80 -0.283 2.829 4.539 1.00 0.33 C ATOM 1317 C ILE A 80 -1.393 1.964 5.153 1.00 0.29 C ATOM 1318 O ILE A 80 -2.059 1.220 4.440 1.00 0.34 O ATOM 1319 CB ILE A 80 1.087 2.106 4.654 1.00 0.42 C ATOM 1320 CG1 ILE A 80 1.291 1.179 3.458 1.00 1.14 C ATOM 1321 CG2 ILE A 80 1.186 1.309 5.946 1.00 0.96 C ATOM 1322 CD1 ILE A 80 1.528 1.910 2.154 1.00 2.00 C ATOM 0 H ILE A 80 0.546 4.389 5.678 1.00 0.27 H new ATOM 0 HA ILE A 80 -0.476 2.967 3.475 1.00 0.33 H new ATOM 0 HB ILE A 80 1.868 2.867 4.663 1.00 0.42 H new ATOM 0 HG12 ILE A 80 2.140 0.525 3.657 1.00 1.14 H new ATOM 0 HG13 ILE A 80 0.415 0.540 3.352 1.00 1.14 H new ATOM 0 HG21 ILE A 80 2.157 0.815 5.996 1.00 0.96 H new ATOM 0 HG22 ILE A 80 1.077 1.981 6.797 1.00 0.96 H new ATOM 0 HG23 ILE A 80 0.396 0.559 5.972 1.00 0.96 H new ATOM 0 HD11 ILE A 80 1.664 1.186 1.351 1.00 2.00 H new ATOM 0 HD12 ILE A 80 0.669 2.543 1.930 1.00 2.00 H new ATOM 0 HD13 ILE A 80 2.422 2.528 2.241 1.00 2.00 H new ATOM 1334 N MET A 81 -1.608 2.066 6.472 1.00 0.25 N ATOM 1335 CA MET A 81 -2.715 1.347 7.105 1.00 0.30 C ATOM 1336 C MET A 81 -4.048 1.851 6.577 1.00 0.28 C ATOM 1337 O MET A 81 -5.028 1.112 6.570 1.00 0.31 O ATOM 1338 CB MET A 81 -2.685 1.419 8.641 1.00 0.37 C ATOM 1339 CG MET A 81 -2.878 2.808 9.221 1.00 1.12 C ATOM 1340 SD MET A 81 -2.813 2.832 11.026 1.00 2.01 S ATOM 1341 CE MET A 81 -1.130 2.288 11.318 1.00 1.87 C ATOM 0 H MET A 81 -1.042 2.628 7.108 1.00 0.25 H new ATOM 0 HA MET A 81 -2.592 0.297 6.841 1.00 0.30 H new ATOM 0 HB2 MET A 81 -3.463 0.765 9.036 1.00 0.37 H new ATOM 0 HB3 MET A 81 -1.730 1.025 8.990 1.00 0.37 H new ATOM 0 HG2 MET A 81 -2.108 3.471 8.826 1.00 1.12 H new ATOM 0 HG3 MET A 81 -3.839 3.203 8.892 1.00 1.12 H new ATOM 0 HE1 MET A 81 -0.828 2.566 12.328 1.00 1.87 H new ATOM 0 HE2 MET A 81 -1.073 1.205 11.208 1.00 1.87 H new ATOM 0 HE3 MET A 81 -0.464 2.761 10.596 1.00 1.87 H new ATOM 1351 N LEU A 82 -4.083 3.101 6.119 1.00 0.27 N ATOM 1352 CA LEU A 82 -5.265 3.611 5.420 1.00 0.33 C ATOM 1353 C LEU A 82 -5.548 2.729 4.206 1.00 0.34 C ATOM 1354 O LEU A 82 -6.692 2.349 3.950 1.00 0.38 O ATOM 1355 CB LEU A 82 -5.068 5.082 4.999 1.00 0.37 C ATOM 1356 CG LEU A 82 -6.226 5.752 4.233 1.00 0.52 C ATOM 1357 CD1 LEU A 82 -6.121 5.488 2.738 1.00 1.30 C ATOM 1358 CD2 LEU A 82 -7.575 5.275 4.754 1.00 1.38 C ATOM 0 H LEU A 82 -3.321 3.772 6.216 1.00 0.27 H new ATOM 0 HA LEU A 82 -6.121 3.579 6.095 1.00 0.33 H new ATOM 0 HB2 LEU A 82 -4.872 5.668 5.897 1.00 0.37 H new ATOM 0 HB3 LEU A 82 -4.173 5.140 4.379 1.00 0.37 H new ATOM 0 HG LEU A 82 -6.149 6.826 4.400 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -6.951 5.973 2.224 1.00 1.30 H new ATOM 0 HD12 LEU A 82 -5.179 5.888 2.363 1.00 1.30 H new ATOM 0 HD13 LEU A 82 -6.158 4.414 2.555 1.00 1.30 H new ATOM 0 HD21 LEU A 82 -8.374 5.763 4.196 1.00 1.38 H new ATOM 0 HD22 LEU A 82 -7.652 4.195 4.628 1.00 1.38 H new ATOM 0 HD23 LEU A 82 -7.666 5.525 5.811 1.00 1.38 H new ATOM 1370 N MET A 83 -4.494 2.380 3.484 1.00 0.32 N ATOM 1371 CA MET A 83 -4.620 1.505 2.327 1.00 0.34 C ATOM 1372 C MET A 83 -5.119 0.121 2.725 1.00 0.31 C ATOM 1373 O MET A 83 -5.720 -0.578 1.916 1.00 0.34 O ATOM 1374 CB MET A 83 -3.291 1.389 1.581 1.00 0.39 C ATOM 1375 CG MET A 83 -3.283 2.130 0.258 1.00 0.58 C ATOM 1376 SD MET A 83 -3.623 3.885 0.436 1.00 0.85 S ATOM 1377 CE MET A 83 -2.185 4.391 1.368 1.00 0.91 C ATOM 0 H MET A 83 -3.542 2.689 3.678 1.00 0.32 H new ATOM 0 HA MET A 83 -5.357 1.954 1.661 1.00 0.34 H new ATOM 0 HB2 MET A 83 -2.492 1.777 2.213 1.00 0.39 H new ATOM 0 HB3 MET A 83 -3.073 0.336 1.402 1.00 0.39 H new ATOM 0 HG2 MET A 83 -2.312 2.000 -0.219 1.00 0.58 H new ATOM 0 HG3 MET A 83 -4.026 1.687 -0.405 1.00 0.58 H new ATOM 0 HE1 MET A 83 -2.401 5.321 1.893 1.00 0.91 H new ATOM 0 HE2 MET A 83 -1.929 3.617 2.091 1.00 0.91 H new ATOM 0 HE3 MET A 83 -1.346 4.544 0.689 1.00 0.91 H new ATOM 1387 N ALA A 84 -4.886 -0.271 3.974 1.00 0.29 N ATOM 1388 CA ALA A 84 -5.382 -1.557 4.463 1.00 0.30 C ATOM 1389 C ALA A 84 -6.867 -1.477 4.755 1.00 0.33 C ATOM 1390 O ALA A 84 -7.613 -2.422 4.500 1.00 0.31 O ATOM 1391 CB ALA A 84 -4.641 -1.995 5.708 1.00 0.35 C ATOM 0 H ALA A 84 -4.364 0.274 4.660 1.00 0.29 H new ATOM 0 HA ALA A 84 -5.208 -2.296 3.680 1.00 0.30 H new ATOM 0 HB1 ALA A 84 -5.033 -2.954 6.046 1.00 0.35 H new ATOM 0 HB2 ALA A 84 -3.579 -2.096 5.483 1.00 0.35 H new ATOM 0 HB3 ALA A 84 -4.776 -1.251 6.493 1.00 0.35 H new ATOM 1397 N ARG A 85 -7.288 -0.343 5.292 1.00 0.41 N ATOM 1398 CA ARG A 85 -8.698 -0.090 5.533 1.00 0.49 C ATOM 1399 C ARG A 85 -9.441 -0.169 4.209 1.00 0.50 C ATOM 1400 O ARG A 85 -10.512 -0.776 4.094 1.00 0.56 O ATOM 1401 CB ARG A 85 -8.892 1.295 6.145 1.00 0.57 C ATOM 1402 CG ARG A 85 -7.849 1.651 7.191 1.00 0.59 C ATOM 1403 CD ARG A 85 -8.144 2.998 7.829 1.00 0.67 C ATOM 1404 NE ARG A 85 -9.396 2.990 8.587 1.00 1.05 N ATOM 1405 CZ ARG A 85 -10.494 3.661 8.231 1.00 1.20 C ATOM 1406 NH1 ARG A 85 -10.526 4.352 7.097 1.00 1.44 N ATOM 1407 NH2 ARG A 85 -11.566 3.637 9.008 1.00 1.67 N ATOM 0 H ARG A 85 -6.670 0.419 5.570 1.00 0.41 H new ATOM 0 HA ARG A 85 -9.086 -0.835 6.228 1.00 0.49 H new ATOM 0 HB2 ARG A 85 -8.866 2.041 5.350 1.00 0.57 H new ATOM 0 HB3 ARG A 85 -9.882 1.347 6.599 1.00 0.57 H new ATOM 0 HG2 ARG A 85 -7.825 0.879 7.960 1.00 0.59 H new ATOM 0 HG3 ARG A 85 -6.861 1.673 6.730 1.00 0.59 H new ATOM 0 HD2 ARG A 85 -7.323 3.272 8.491 1.00 0.67 H new ATOM 0 HD3 ARG A 85 -8.196 3.762 7.053 1.00 0.67 H new ATOM 0 HE ARG A 85 -9.432 2.436 9.443 1.00 1.05 H new ATOM 0 HH11 ARG A 85 -9.707 4.373 6.489 1.00 1.44 H new ATOM 0 HH12 ARG A 85 -11.370 4.861 6.834 1.00 1.44 H new ATOM 0 HH21 ARG A 85 -11.553 3.106 9.879 1.00 1.67 H new ATOM 0 HH22 ARG A 85 -12.405 4.150 8.736 1.00 1.67 H new ATOM 1421 N LEU A 86 -8.826 0.424 3.201 1.00 0.47 N ATOM 1422 CA LEU A 86 -9.351 0.432 1.870 1.00 0.52 C ATOM 1423 C LEU A 86 -9.217 -0.956 1.243 1.00 0.43 C ATOM 1424 O LEU A 86 -10.001 -1.337 0.370 1.00 0.49 O ATOM 1425 CB LEU A 86 -8.595 1.494 1.077 1.00 0.61 C ATOM 1426 CG LEU A 86 -8.749 1.401 -0.422 1.00 0.89 C ATOM 1427 CD1 LEU A 86 -10.195 1.636 -0.826 1.00 1.68 C ATOM 1428 CD2 LEU A 86 -7.822 2.387 -1.111 1.00 1.36 C ATOM 0 H LEU A 86 -7.938 0.916 3.297 1.00 0.47 H new ATOM 0 HA LEU A 86 -10.414 0.675 1.870 1.00 0.52 H new ATOM 0 HB2 LEU A 86 -8.934 2.478 1.402 1.00 0.61 H new ATOM 0 HB3 LEU A 86 -7.535 1.424 1.323 1.00 0.61 H new ATOM 0 HG LEU A 86 -8.471 0.396 -0.739 1.00 0.89 H new ATOM 0 HD11 LEU A 86 -10.286 1.565 -1.910 1.00 1.68 H new ATOM 0 HD12 LEU A 86 -10.830 0.884 -0.358 1.00 1.68 H new ATOM 0 HD13 LEU A 86 -10.507 2.628 -0.500 1.00 1.68 H new ATOM 0 HD21 LEU A 86 -7.945 2.308 -2.191 1.00 1.36 H new ATOM 0 HD22 LEU A 86 -8.066 3.400 -0.791 1.00 1.36 H new ATOM 0 HD23 LEU A 86 -6.789 2.162 -0.846 1.00 1.36 H new ATOM 1440 N THR A 87 -8.235 -1.726 1.705 1.00 0.34 N ATOM 1441 CA THR A 87 -8.090 -3.100 1.265 1.00 0.34 C ATOM 1442 C THR A 87 -9.271 -3.935 1.730 1.00 0.37 C ATOM 1443 O THR A 87 -9.722 -4.827 1.018 1.00 0.48 O ATOM 1444 CB THR A 87 -6.796 -3.752 1.783 1.00 0.34 C ATOM 1445 OG1 THR A 87 -5.652 -3.151 1.164 1.00 0.37 O ATOM 1446 CG2 THR A 87 -6.814 -5.248 1.505 1.00 0.44 C ATOM 0 H THR A 87 -7.534 -1.419 2.380 1.00 0.34 H new ATOM 0 HA THR A 87 -8.048 -3.070 0.176 1.00 0.34 H new ATOM 0 HB THR A 87 -6.734 -3.594 2.860 1.00 0.34 H new ATOM 0 HG1 THR A 87 -5.616 -2.200 1.398 1.00 0.37 H new ATOM 0 HG21 THR A 87 -5.893 -5.698 1.876 1.00 0.44 H new ATOM 0 HG22 THR A 87 -7.668 -5.701 2.008 1.00 0.44 H new ATOM 0 HG23 THR A 87 -6.894 -5.418 0.431 1.00 0.44 H new ATOM 1454 N TRP A 88 -9.776 -3.650 2.922 1.00 0.46 N ATOM 1455 CA TRP A 88 -10.918 -4.382 3.434 1.00 0.60 C ATOM 1456 C TRP A 88 -12.141 -4.074 2.580 1.00 0.54 C ATOM 1457 O TRP A 88 -12.939 -4.959 2.275 1.00 0.55 O ATOM 1458 CB TRP A 88 -11.182 -4.017 4.899 1.00 0.92 C ATOM 1459 CG TRP A 88 -12.308 -4.792 5.516 1.00 1.28 C ATOM 1460 CD1 TRP A 88 -12.220 -5.999 6.146 1.00 1.99 C ATOM 1461 CD2 TRP A 88 -13.690 -4.415 5.560 1.00 1.80 C ATOM 1462 NE1 TRP A 88 -13.462 -6.396 6.577 1.00 2.32 N ATOM 1463 CE2 TRP A 88 -14.381 -5.443 6.229 1.00 2.18 C ATOM 1464 CE3 TRP A 88 -14.412 -3.310 5.099 1.00 2.62 C ATOM 1465 CZ2 TRP A 88 -15.756 -5.398 6.446 1.00 2.87 C ATOM 1466 CZ3 TRP A 88 -15.777 -3.266 5.317 1.00 3.49 C ATOM 1467 CH2 TRP A 88 -16.436 -4.304 5.985 1.00 3.46 C ATOM 0 H TRP A 88 -9.416 -2.926 3.544 1.00 0.46 H new ATOM 0 HA TRP A 88 -10.706 -5.450 3.387 1.00 0.60 H new ATOM 0 HB2 TRP A 88 -10.274 -4.189 5.477 1.00 0.92 H new ATOM 0 HB3 TRP A 88 -11.405 -2.952 4.965 1.00 0.92 H new ATOM 0 HD1 TRP A 88 -11.308 -6.560 6.285 1.00 1.99 H new ATOM 0 HE1 TRP A 88 -13.667 -7.262 7.076 1.00 2.32 H new ATOM 0 HE3 TRP A 88 -13.912 -2.505 4.581 1.00 2.62 H new ATOM 0 HZ2 TRP A 88 -16.267 -6.198 6.960 1.00 2.87 H new ATOM 0 HZ3 TRP A 88 -16.344 -2.416 4.966 1.00 3.49 H new ATOM 0 HH2 TRP A 88 -17.503 -4.240 6.140 1.00 3.46 H new ATOM 1478 N ALA A 89 -12.249 -2.824 2.150 1.00 0.64 N ATOM 1479 CA ALA A 89 -13.335 -2.416 1.267 1.00 0.87 C ATOM 1480 C ALA A 89 -13.215 -3.101 -0.092 1.00 0.87 C ATOM 1481 O ALA A 89 -14.199 -3.584 -0.651 1.00 0.96 O ATOM 1482 CB ALA A 89 -13.340 -0.906 1.104 1.00 1.18 C ATOM 0 H ALA A 89 -11.600 -2.077 2.397 1.00 0.64 H new ATOM 0 HA ALA A 89 -14.279 -2.722 1.718 1.00 0.87 H new ATOM 0 HB1 ALA A 89 -14.156 -0.614 0.442 1.00 1.18 H new ATOM 0 HB2 ALA A 89 -13.476 -0.435 2.078 1.00 1.18 H new ATOM 0 HB3 ALA A 89 -12.391 -0.583 0.675 1.00 1.18 H new ATOM 1488 N SER A 90 -11.999 -3.158 -0.612 1.00 0.93 N ATOM 1489 CA SER A 90 -11.746 -3.809 -1.889 1.00 1.26 C ATOM 1490 C SER A 90 -11.819 -5.329 -1.742 1.00 1.23 C ATOM 1491 O SER A 90 -11.944 -6.053 -2.724 1.00 1.60 O ATOM 1492 CB SER A 90 -10.386 -3.387 -2.425 1.00 1.54 C ATOM 1493 OG SER A 90 -10.279 -1.974 -2.465 1.00 1.74 O ATOM 0 H SER A 90 -11.170 -2.761 -0.169 1.00 0.93 H new ATOM 0 HA SER A 90 -12.514 -3.501 -2.599 1.00 1.26 H new ATOM 0 HB2 SER A 90 -9.598 -3.799 -1.795 1.00 1.54 H new ATOM 0 HB3 SER A 90 -10.241 -3.796 -3.425 1.00 1.54 H new ATOM 0 HG SER A 90 -10.180 -1.627 -1.554 1.00 1.74 H new ATOM 1499 N HIS A 91 -11.734 -5.797 -0.503 1.00 1.02 N ATOM 1500 CA HIS A 91 -11.940 -7.204 -0.181 1.00 1.31 C ATOM 1501 C HIS A 91 -13.397 -7.558 -0.420 1.00 1.07 C ATOM 1502 O HIS A 91 -13.724 -8.654 -0.874 1.00 1.33 O ATOM 1503 CB HIS A 91 -11.553 -7.461 1.285 1.00 1.65 C ATOM 1504 CG HIS A 91 -11.930 -8.815 1.814 1.00 2.27 C ATOM 1505 ND1 HIS A 91 -13.112 -9.062 2.477 1.00 2.65 N ATOM 1506 CD2 HIS A 91 -11.263 -9.991 1.794 1.00 2.95 C ATOM 1507 CE1 HIS A 91 -13.153 -10.329 2.841 1.00 3.16 C ATOM 1508 NE2 HIS A 91 -12.043 -10.914 2.438 1.00 3.33 N ATOM 0 H HIS A 91 -11.521 -5.213 0.306 1.00 1.02 H new ATOM 0 HA HIS A 91 -11.313 -7.829 -0.817 1.00 1.31 H new ATOM 0 HB2 HIS A 91 -10.475 -7.335 1.388 1.00 1.65 H new ATOM 0 HB3 HIS A 91 -12.024 -6.700 1.908 1.00 1.65 H new ATOM 0 HD1 HIS A 91 -13.842 -8.373 2.658 1.00 2.65 H new ATOM 0 HD2 HIS A 91 -10.294 -10.169 1.352 1.00 2.95 H new ATOM 0 HE1 HIS A 91 -13.959 -10.806 3.378 1.00 3.16 H new ATOM 1517 N GLU A 92 -14.256 -6.600 -0.120 1.00 0.80 N ATOM 1518 CA GLU A 92 -15.686 -6.749 -0.315 1.00 1.03 C ATOM 1519 C GLU A 92 -16.035 -6.667 -1.802 1.00 1.16 C ATOM 1520 O GLU A 92 -16.977 -7.304 -2.270 1.00 1.42 O ATOM 1521 CB GLU A 92 -16.407 -5.660 0.475 1.00 1.59 C ATOM 1522 CG GLU A 92 -15.917 -5.556 1.914 1.00 1.95 C ATOM 1523 CD GLU A 92 -16.184 -6.817 2.708 1.00 2.70 C ATOM 1524 OE1 GLU A 92 -15.245 -7.622 2.894 1.00 3.30 O ATOM 1525 OE2 GLU A 92 -17.337 -7.021 3.140 1.00 3.12 O ATOM 0 H GLU A 92 -13.981 -5.697 0.266 1.00 0.80 H new ATOM 0 HA GLU A 92 -16.006 -7.727 0.045 1.00 1.03 H new ATOM 0 HB2 GLU A 92 -16.265 -4.701 -0.023 1.00 1.59 H new ATOM 0 HB3 GLU A 92 -17.478 -5.864 0.474 1.00 1.59 H new ATOM 0 HG2 GLU A 92 -14.847 -5.348 1.916 1.00 1.95 H new ATOM 0 HG3 GLU A 92 -16.406 -4.713 2.401 1.00 1.95 H new ATOM 1532 N LYS A 93 -15.240 -5.903 -2.545 1.00 1.32 N ATOM 1533 CA LYS A 93 -15.409 -5.794 -3.993 1.00 1.99 C ATOM 1534 C LYS A 93 -14.769 -7.005 -4.670 1.00 2.30 C ATOM 1535 O LYS A 93 -15.129 -7.381 -5.787 1.00 2.85 O ATOM 1536 CB LYS A 93 -14.757 -4.487 -4.483 1.00 2.58 C ATOM 1537 CG LYS A 93 -14.982 -4.150 -5.959 1.00 3.29 C ATOM 1538 CD LYS A 93 -14.067 -4.929 -6.906 1.00 4.11 C ATOM 1539 CE LYS A 93 -12.589 -4.681 -6.622 1.00 4.84 C ATOM 1540 NZ LYS A 93 -11.713 -5.408 -7.582 1.00 5.63 N ATOM 0 H LYS A 93 -14.471 -5.349 -2.169 1.00 1.32 H new ATOM 0 HA LYS A 93 -16.469 -5.773 -4.247 1.00 1.99 H new ATOM 0 HB2 LYS A 93 -15.137 -3.663 -3.879 1.00 2.58 H new ATOM 0 HB3 LYS A 93 -13.684 -4.547 -4.302 1.00 2.58 H new ATOM 0 HG2 LYS A 93 -16.021 -4.357 -6.217 1.00 3.29 H new ATOM 0 HG3 LYS A 93 -14.823 -3.082 -6.109 1.00 3.29 H new ATOM 0 HD2 LYS A 93 -14.278 -5.995 -6.815 1.00 4.11 H new ATOM 0 HD3 LYS A 93 -14.289 -4.647 -7.935 1.00 4.11 H new ATOM 0 HE2 LYS A 93 -12.382 -3.612 -6.678 1.00 4.84 H new ATOM 0 HE3 LYS A 93 -12.356 -4.998 -5.605 1.00 4.84 H new ATOM 0 HZ1 LYS A 93 -10.743 -5.443 -7.209 1.00 5.63 H new ATOM 0 HZ2 LYS A 93 -12.069 -6.377 -7.712 1.00 5.63 H new ATOM 0 HZ3 LYS A 93 -11.715 -4.913 -8.497 1.00 5.63 H new ATOM 1554 N MET A 94 -13.848 -7.638 -3.958 1.00 2.23 N ATOM 1555 CA MET A 94 -13.125 -8.791 -4.477 1.00 2.99 C ATOM 1556 C MET A 94 -14.080 -9.951 -4.726 1.00 3.09 C ATOM 1557 O MET A 94 -13.823 -10.807 -5.571 1.00 3.74 O ATOM 1558 CB MET A 94 -12.024 -9.202 -3.501 1.00 3.42 C ATOM 1559 CG MET A 94 -11.065 -10.245 -4.046 1.00 4.27 C ATOM 1560 SD MET A 94 -9.761 -10.647 -2.868 1.00 4.98 S ATOM 1561 CE MET A 94 -10.735 -11.293 -1.513 1.00 5.55 C ATOM 0 H MET A 94 -13.582 -7.370 -3.011 1.00 2.23 H new ATOM 0 HA MET A 94 -12.665 -8.518 -5.427 1.00 2.99 H new ATOM 0 HB2 MET A 94 -11.456 -8.316 -3.218 1.00 3.42 H new ATOM 0 HB3 MET A 94 -12.486 -9.589 -2.592 1.00 3.42 H new ATOM 0 HG2 MET A 94 -11.618 -11.150 -4.297 1.00 4.27 H new ATOM 0 HG3 MET A 94 -10.618 -9.878 -4.970 1.00 4.27 H new ATOM 0 HE1 MET A 94 -10.107 -11.389 -0.627 1.00 5.55 H new ATOM 0 HE2 MET A 94 -11.560 -10.613 -1.301 1.00 5.55 H new ATOM 0 HE3 MET A 94 -11.132 -12.271 -1.784 1.00 5.55 H new ATOM 1571 N HIS A 95 -15.187 -9.967 -3.994 1.00 2.67 N ATOM 1572 CA HIS A 95 -16.250 -10.930 -4.246 1.00 3.04 C ATOM 1573 C HIS A 95 -17.084 -10.468 -5.433 1.00 3.05 C ATOM 1574 O HIS A 95 -18.240 -10.079 -5.277 1.00 3.07 O ATOM 1575 CB HIS A 95 -17.156 -11.088 -3.018 1.00 3.35 C ATOM 1576 CG HIS A 95 -16.547 -11.858 -1.887 1.00 3.76 C ATOM 1577 ND1 HIS A 95 -16.929 -13.142 -1.564 1.00 4.55 N ATOM 1578 CD2 HIS A 95 -15.606 -11.509 -0.980 1.00 4.03 C ATOM 1579 CE1 HIS A 95 -16.253 -13.547 -0.508 1.00 5.10 C ATOM 1580 NE2 HIS A 95 -15.444 -12.577 -0.136 1.00 4.83 N ATOM 0 H HIS A 95 -15.371 -9.325 -3.223 1.00 2.67 H new ATOM 0 HA HIS A 95 -15.793 -11.895 -4.463 1.00 3.04 H new ATOM 0 HB2 HIS A 95 -17.433 -10.097 -2.658 1.00 3.35 H new ATOM 0 HB3 HIS A 95 -18.077 -11.585 -3.324 1.00 3.35 H new ATOM 0 HD2 HIS A 95 -15.081 -10.566 -0.930 1.00 4.03 H new ATOM 0 HE1 HIS A 95 -16.347 -14.510 -0.029 1.00 5.10 H new ATOM 0 HE2 HIS A 95 -14.800 -12.614 0.654 1.00 4.83 H new ATOM 1589 N GLU A 96 -16.483 -10.516 -6.617 1.00 3.43 N ATOM 1590 CA GLU A 96 -17.141 -10.090 -7.833 1.00 3.96 C ATOM 1591 C GLU A 96 -18.355 -10.957 -8.107 1.00 4.60 C ATOM 1592 O GLU A 96 -18.255 -12.177 -8.263 1.00 4.84 O ATOM 1593 CB GLU A 96 -16.149 -10.125 -8.993 1.00 4.51 C ATOM 1594 CG GLU A 96 -16.754 -9.693 -10.306 1.00 5.33 C ATOM 1595 CD GLU A 96 -15.739 -9.638 -11.428 1.00 5.64 C ATOM 1596 OE1 GLU A 96 -15.167 -8.555 -11.670 1.00 5.97 O ATOM 1597 OE2 GLU A 96 -15.507 -10.679 -12.076 1.00 5.93 O ATOM 0 H GLU A 96 -15.529 -10.851 -6.754 1.00 3.43 H new ATOM 0 HA GLU A 96 -17.492 -9.064 -7.718 1.00 3.96 H new ATOM 0 HB2 GLU A 96 -15.304 -9.478 -8.759 1.00 4.51 H new ATOM 0 HB3 GLU A 96 -15.757 -11.137 -9.097 1.00 4.51 H new ATOM 0 HG2 GLU A 96 -17.553 -10.383 -10.578 1.00 5.33 H new ATOM 0 HG3 GLU A 96 -17.210 -8.710 -10.185 1.00 5.33 H new ATOM 1604 N GLY A 97 -19.499 -10.295 -8.148 1.00 5.13 N ATOM 1605 CA GLY A 97 -20.766 -10.967 -8.326 1.00 5.86 C ATOM 1606 C GLY A 97 -20.891 -11.607 -9.685 1.00 6.59 C ATOM 1607 O GLY A 97 -21.790 -12.405 -9.918 1.00 7.17 O ATOM 0 H GLY A 97 -19.571 -9.281 -8.059 1.00 5.13 H new ATOM 0 HA2 GLY A 97 -20.881 -11.730 -7.556 1.00 5.86 H new ATOM 0 HA3 GLY A 97 -21.576 -10.251 -8.189 1.00 5.86 H new ATOM 1611 N ASP A 98 -19.973 -11.273 -10.578 1.00 6.83 N ATOM 1612 CA ASP A 98 -20.093 -11.648 -11.968 1.00 7.63 C ATOM 1613 C ASP A 98 -19.958 -13.159 -12.166 1.00 7.48 C ATOM 1614 O ASP A 98 -20.390 -13.699 -13.183 1.00 8.13 O ATOM 1615 CB ASP A 98 -19.051 -10.909 -12.814 1.00 8.45 C ATOM 1616 CG ASP A 98 -19.203 -11.169 -14.302 1.00 9.24 C ATOM 1617 OD1 ASP A 98 -18.430 -11.978 -14.857 1.00 9.86 O ATOM 1618 OD2 ASP A 98 -20.097 -10.562 -14.932 1.00 9.44 O ATOM 0 H ASP A 98 -19.133 -10.739 -10.357 1.00 6.83 H new ATOM 0 HA ASP A 98 -21.091 -11.360 -12.297 1.00 7.63 H new ATOM 0 HB2 ASP A 98 -19.133 -9.838 -12.628 1.00 8.45 H new ATOM 0 HB3 ASP A 98 -18.053 -11.212 -12.498 1.00 8.45 H new ATOM 1623 N GLU A 99 -19.385 -13.842 -11.182 1.00 6.88 N ATOM 1624 CA GLU A 99 -19.246 -15.296 -11.244 1.00 7.02 C ATOM 1625 C GLU A 99 -20.581 -15.979 -10.942 1.00 6.74 C ATOM 1626 O GLU A 99 -20.856 -17.078 -11.421 1.00 7.17 O ATOM 1627 CB GLU A 99 -18.189 -15.778 -10.247 1.00 7.19 C ATOM 1628 CG GLU A 99 -16.812 -15.173 -10.464 1.00 7.58 C ATOM 1629 CD GLU A 99 -16.228 -15.503 -11.824 1.00 8.34 C ATOM 1630 OE1 GLU A 99 -15.685 -16.617 -11.993 1.00 8.54 O ATOM 1631 OE2 GLU A 99 -16.285 -14.642 -12.723 1.00 8.93 O ATOM 0 H GLU A 99 -19.010 -13.417 -10.334 1.00 6.88 H new ATOM 0 HA GLU A 99 -18.932 -15.560 -12.254 1.00 7.02 H new ATOM 0 HB2 GLU A 99 -18.523 -15.542 -9.237 1.00 7.19 H new ATOM 0 HB3 GLU A 99 -18.112 -16.863 -10.312 1.00 7.19 H new ATOM 0 HG2 GLU A 99 -16.875 -14.090 -10.355 1.00 7.58 H new ATOM 0 HG3 GLU A 99 -16.137 -15.533 -9.688 1.00 7.58 H new ATOM 1638 N GLY A 100 -21.411 -15.305 -10.164 1.00 6.34 N ATOM 1639 CA GLY A 100 -22.672 -15.876 -9.728 1.00 6.45 C ATOM 1640 C GLY A 100 -23.315 -15.002 -8.677 1.00 6.52 C ATOM 1641 O GLY A 100 -23.090 -15.198 -7.482 1.00 6.76 O ATOM 0 H GLY A 100 -21.233 -14.361 -9.822 1.00 6.34 H new ATOM 0 HA2 GLY A 100 -23.343 -15.983 -10.580 1.00 6.45 H new ATOM 0 HA3 GLY A 100 -22.505 -16.875 -9.326 1.00 6.45 H new ATOM 1645 N PRO A 101 -24.116 -14.016 -9.094 1.00 6.65 N ATOM 1646 CA PRO A 101 -24.586 -12.957 -8.207 1.00 7.11 C ATOM 1647 C PRO A 101 -25.645 -13.405 -7.209 1.00 7.76 C ATOM 1648 O PRO A 101 -26.589 -14.120 -7.548 1.00 7.95 O ATOM 1649 CB PRO A 101 -25.190 -11.913 -9.160 1.00 7.26 C ATOM 1650 CG PRO A 101 -24.860 -12.373 -10.544 1.00 7.06 C ATOM 1651 CD PRO A 101 -24.632 -13.852 -10.456 1.00 6.74 C ATOM 0 HA PRO A 101 -23.763 -12.591 -7.593 1.00 7.11 H new ATOM 0 HB2 PRO A 101 -26.269 -11.837 -9.022 1.00 7.26 H new ATOM 0 HB3 PRO A 101 -24.774 -10.924 -8.969 1.00 7.26 H new ATOM 0 HG2 PRO A 101 -25.674 -12.146 -11.233 1.00 7.06 H new ATOM 0 HG3 PRO A 101 -23.972 -11.865 -10.921 1.00 7.06 H new ATOM 0 HD2 PRO A 101 -25.553 -14.414 -10.611 1.00 6.74 H new ATOM 0 HD3 PRO A 101 -23.918 -14.197 -11.204 1.00 6.74 H new ATOM 1659 N GLY A 102 -25.461 -12.973 -5.972 1.00 8.36 N ATOM 1660 CA GLY A 102 -26.516 -13.022 -4.985 1.00 9.25 C ATOM 1661 C GLY A 102 -26.978 -11.616 -4.681 1.00 9.68 C ATOM 1662 O GLY A 102 -28.160 -11.356 -4.455 1.00 10.53 O ATOM 0 H GLY A 102 -24.583 -12.583 -5.630 1.00 8.36 H new ATOM 0 HA2 GLY A 102 -27.349 -13.619 -5.355 1.00 9.25 H new ATOM 0 HA3 GLY A 102 -26.157 -13.504 -4.076 1.00 9.25 H new ATOM 1666 N HIS A 103 -26.009 -10.712 -4.691 1.00 9.20 N ATOM 1667 CA HIS A 103 -26.242 -9.285 -4.564 1.00 9.47 C ATOM 1668 C HIS A 103 -25.104 -8.551 -5.267 1.00 8.43 C ATOM 1669 O HIS A 103 -23.938 -8.897 -5.084 1.00 7.94 O ATOM 1670 CB HIS A 103 -26.337 -8.866 -3.087 1.00 10.47 C ATOM 1671 CG HIS A 103 -25.117 -9.181 -2.268 1.00 11.40 C ATOM 1672 ND1 HIS A 103 -24.139 -8.254 -1.979 1.00 11.87 N ATOM 1673 CD2 HIS A 103 -24.730 -10.330 -1.664 1.00 12.11 C ATOM 1674 CE1 HIS A 103 -23.206 -8.816 -1.235 1.00 12.79 C ATOM 1675 NE2 HIS A 103 -23.540 -10.075 -1.029 1.00 12.94 N ATOM 0 H HIS A 103 -25.023 -10.956 -4.789 1.00 9.20 H new ATOM 0 HA HIS A 103 -27.194 -9.026 -5.028 1.00 9.47 H new ATOM 0 HB2 HIS A 103 -26.524 -7.793 -3.039 1.00 10.47 H new ATOM 0 HB3 HIS A 103 -27.198 -9.360 -2.637 1.00 10.47 H new ATOM 0 HD2 HIS A 103 -25.259 -11.271 -1.679 1.00 12.11 H new ATOM 0 HE1 HIS A 103 -22.319 -8.328 -0.858 1.00 12.79 H new ATOM 0 HE2 HIS A 103 -23.001 -10.750 -0.486 1.00 12.94 H new ATOM 1684 N HIS A 104 -25.429 -7.557 -6.077 1.00 8.25 N ATOM 1685 CA HIS A 104 -24.411 -6.914 -6.902 1.00 7.30 C ATOM 1686 C HIS A 104 -23.894 -5.631 -6.261 1.00 7.21 C ATOM 1687 O HIS A 104 -24.664 -4.751 -5.881 1.00 7.92 O ATOM 1688 CB HIS A 104 -24.931 -6.634 -8.326 1.00 7.17 C ATOM 1689 CG HIS A 104 -26.046 -5.630 -8.412 1.00 7.33 C ATOM 1690 ND1 HIS A 104 -25.846 -4.302 -8.724 1.00 7.07 N ATOM 1691 CD2 HIS A 104 -27.380 -5.772 -8.237 1.00 8.05 C ATOM 1692 CE1 HIS A 104 -27.006 -3.674 -8.734 1.00 7.64 C ATOM 1693 NE2 HIS A 104 -27.954 -4.542 -8.441 1.00 8.22 N ATOM 0 H HIS A 104 -26.371 -7.181 -6.183 1.00 8.25 H new ATOM 0 HA HIS A 104 -23.577 -7.612 -6.976 1.00 7.30 H new ATOM 0 HB2 HIS A 104 -24.099 -6.283 -8.937 1.00 7.17 H new ATOM 0 HB3 HIS A 104 -25.274 -7.572 -8.762 1.00 7.17 H new ATOM 0 HD2 HIS A 104 -27.898 -6.685 -7.983 1.00 8.05 H new ATOM 0 HE1 HIS A 104 -27.154 -2.626 -8.946 1.00 7.64 H new ATOM 0 HE2 HIS A 104 -28.950 -4.334 -8.376 1.00 8.22 H new ATOM 1702 N HIS A 105 -22.580 -5.543 -6.141 1.00 6.46 N ATOM 1703 CA HIS A 105 -21.934 -4.328 -5.666 1.00 6.25 C ATOM 1704 C HIS A 105 -21.393 -3.570 -6.867 1.00 5.22 C ATOM 1705 O HIS A 105 -21.188 -4.159 -7.929 1.00 4.80 O ATOM 1706 CB HIS A 105 -20.802 -4.647 -4.672 1.00 6.70 C ATOM 1707 CG HIS A 105 -19.652 -5.414 -5.260 1.00 7.16 C ATOM 1708 ND1 HIS A 105 -19.410 -6.739 -4.978 1.00 7.48 N ATOM 1709 CD2 HIS A 105 -18.677 -5.034 -6.119 1.00 7.68 C ATOM 1710 CE1 HIS A 105 -18.343 -7.138 -5.639 1.00 8.12 C ATOM 1711 NE2 HIS A 105 -17.878 -6.124 -6.341 1.00 8.24 N ATOM 0 H HIS A 105 -21.936 -6.301 -6.367 1.00 6.46 H new ATOM 0 HA HIS A 105 -22.663 -3.716 -5.135 1.00 6.25 H new ATOM 0 HB2 HIS A 105 -20.425 -3.712 -4.259 1.00 6.70 H new ATOM 0 HB3 HIS A 105 -21.216 -5.218 -3.841 1.00 6.70 H new ATOM 0 HD2 HIS A 105 -18.552 -4.052 -6.550 1.00 7.68 H new ATOM 0 HE1 HIS A 105 -17.919 -8.131 -5.611 1.00 8.12 H new ATOM 0 HE2 HIS A 105 -17.059 -6.147 -6.949 1.00 8.24 H new ATOM 1720 N LYS A 106 -21.165 -2.282 -6.708 1.00 4.96 N ATOM 1721 CA LYS A 106 -20.700 -1.464 -7.815 1.00 4.18 C ATOM 1722 C LYS A 106 -19.227 -1.730 -8.120 1.00 3.38 C ATOM 1723 O LYS A 106 -18.435 -2.020 -7.224 1.00 3.38 O ATOM 1724 CB LYS A 106 -20.938 0.015 -7.523 1.00 4.56 C ATOM 1725 CG LYS A 106 -22.410 0.376 -7.392 1.00 4.69 C ATOM 1726 CD LYS A 106 -22.637 1.878 -7.482 1.00 4.98 C ATOM 1727 CE LYS A 106 -22.307 2.414 -8.869 1.00 5.62 C ATOM 1728 NZ LYS A 106 -23.098 1.738 -9.931 1.00 6.23 N ATOM 0 H LYS A 106 -21.292 -1.779 -5.830 1.00 4.96 H new ATOM 0 HA LYS A 106 -21.274 -1.737 -8.701 1.00 4.18 H new ATOM 0 HB2 LYS A 106 -20.422 0.283 -6.601 1.00 4.56 H new ATOM 0 HB3 LYS A 106 -20.495 0.611 -8.321 1.00 4.56 H new ATOM 0 HG2 LYS A 106 -22.978 -0.124 -8.177 1.00 4.69 H new ATOM 0 HG3 LYS A 106 -22.790 0.008 -6.439 1.00 4.69 H new ATOM 0 HD2 LYS A 106 -23.676 2.104 -7.242 1.00 4.98 H new ATOM 0 HD3 LYS A 106 -22.020 2.385 -6.740 1.00 4.98 H new ATOM 0 HE2 LYS A 106 -22.502 3.486 -8.899 1.00 5.62 H new ATOM 0 HE3 LYS A 106 -21.244 2.278 -9.067 1.00 5.62 H new ATOM 0 HZ1 LYS A 106 -23.441 2.445 -10.612 1.00 6.23 H new ATOM 0 HZ2 LYS A 106 -22.498 1.046 -10.423 1.00 6.23 H new ATOM 0 HZ3 LYS A 106 -23.909 1.249 -9.502 1.00 6.23 H new ATOM 1742 N PRO A 107 -18.876 -1.682 -9.416 1.00 2.89 N ATOM 1743 CA PRO A 107 -17.511 -1.896 -9.912 1.00 2.49 C ATOM 1744 C PRO A 107 -16.401 -1.114 -9.193 1.00 2.26 C ATOM 1745 O PRO A 107 -16.595 -0.069 -8.627 1.00 2.44 O ATOM 1746 CB PRO A 107 -17.601 -1.438 -11.363 1.00 2.52 C ATOM 1747 CG PRO A 107 -19.001 -1.736 -11.763 1.00 2.33 C ATOM 1748 CD PRO A 107 -19.837 -1.553 -10.525 1.00 2.91 C ATOM 0 HA PRO A 107 -17.221 -2.935 -9.753 1.00 2.49 H new ATOM 0 HB2 PRO A 107 -17.379 -0.375 -11.458 1.00 2.52 H new ATOM 0 HB3 PRO A 107 -16.887 -1.970 -11.992 1.00 2.52 H new ATOM 0 HG2 PRO A 107 -19.330 -1.067 -12.558 1.00 2.33 H new ATOM 0 HG3 PRO A 107 -19.089 -2.753 -12.146 1.00 2.33 H new ATOM 0 HD2 PRO A 107 -20.327 -0.579 -10.516 1.00 2.91 H new ATOM 0 HD3 PRO A 107 -20.623 -2.306 -10.460 1.00 2.91 H new ATOM 1756 N GLY A 108 -15.258 -1.741 -9.244 1.00 2.45 N ATOM 1757 CA GLY A 108 -13.991 -1.387 -8.603 1.00 2.83 C ATOM 1758 C GLY A 108 -14.011 -0.994 -7.132 1.00 2.50 C ATOM 1759 O GLY A 108 -13.193 -1.515 -6.373 1.00 3.18 O ATOM 0 H GLY A 108 -15.166 -2.600 -9.786 1.00 2.45 H new ATOM 0 HA2 GLY A 108 -13.315 -2.235 -8.711 1.00 2.83 H new ATOM 0 HA3 GLY A 108 -13.555 -0.559 -9.162 1.00 2.83 H new ATOM 1763 N LEU A 109 -14.919 -0.147 -6.679 1.00 1.75 N ATOM 1764 CA LEU A 109 -15.502 -0.243 -5.363 1.00 1.54 C ATOM 1765 C LEU A 109 -16.952 0.211 -5.448 1.00 1.59 C ATOM 1766 O LEU A 109 -17.885 -0.421 -4.948 1.00 2.15 O ATOM 1767 CB LEU A 109 -14.705 0.592 -4.357 1.00 1.71 C ATOM 1768 CG LEU A 109 -14.575 -0.025 -2.961 1.00 1.24 C ATOM 1769 CD1 LEU A 109 -13.463 0.654 -2.186 1.00 1.70 C ATOM 1770 CD2 LEU A 109 -15.888 0.075 -2.199 1.00 1.77 C ATOM 0 H LEU A 109 -15.273 0.636 -7.228 1.00 1.75 H new ATOM 0 HA LEU A 109 -15.470 -1.274 -5.011 1.00 1.54 H new ATOM 0 HB2 LEU A 109 -13.705 0.759 -4.758 1.00 1.71 H new ATOM 0 HB3 LEU A 109 -15.179 1.569 -4.263 1.00 1.71 H new ATOM 0 HG LEU A 109 -14.328 -1.080 -3.077 1.00 1.24 H new ATOM 0 HD11 LEU A 109 -13.383 0.205 -1.196 1.00 1.70 H new ATOM 0 HD12 LEU A 109 -12.520 0.530 -2.718 1.00 1.70 H new ATOM 0 HD13 LEU A 109 -13.686 1.716 -2.085 1.00 1.70 H new ATOM 0 HD21 LEU A 109 -15.770 -0.370 -1.211 1.00 1.77 H new ATOM 0 HD22 LEU A 109 -16.169 1.123 -2.094 1.00 1.77 H new ATOM 0 HD23 LEU A 109 -16.667 -0.456 -2.745 1.00 1.77 H new ATOM 1782 N GLY A 110 -17.073 1.389 -6.080 1.00 1.59 N ATOM 1783 CA GLY A 110 -18.341 2.101 -6.216 1.00 2.25 C ATOM 1784 C GLY A 110 -18.580 2.567 -7.641 1.00 2.20 C ATOM 1785 O GLY A 110 -19.494 3.347 -7.917 1.00 2.79 O ATOM 0 H GLY A 110 -16.285 1.872 -6.512 1.00 1.59 H new ATOM 0 HA2 GLY A 110 -19.158 1.450 -5.905 1.00 2.25 H new ATOM 0 HA3 GLY A 110 -18.347 2.961 -5.547 1.00 2.25 H new ATOM 1789 N GLU A 111 -17.722 2.110 -8.519 1.00 1.69 N ATOM 1790 CA GLU A 111 -17.530 2.677 -9.844 1.00 1.65 C ATOM 1791 C GLU A 111 -18.630 2.300 -10.819 1.00 1.99 C ATOM 1792 O GLU A 111 -19.293 1.283 -10.667 1.00 2.41 O ATOM 1793 CB GLU A 111 -16.161 2.251 -10.387 1.00 1.81 C ATOM 1794 CG GLU A 111 -15.006 3.065 -9.819 1.00 2.10 C ATOM 1795 CD GLU A 111 -15.240 3.501 -8.384 1.00 2.85 C ATOM 1796 OE1 GLU A 111 -15.027 2.684 -7.463 1.00 3.18 O ATOM 1797 OE2 GLU A 111 -15.672 4.661 -8.183 1.00 3.67 O ATOM 0 H GLU A 111 -17.117 1.310 -8.333 1.00 1.69 H new ATOM 0 HA GLU A 111 -17.573 3.761 -9.743 1.00 1.65 H new ATOM 0 HB2 GLU A 111 -16.000 1.197 -10.159 1.00 1.81 H new ATOM 0 HB3 GLU A 111 -16.163 2.346 -11.473 1.00 1.81 H new ATOM 0 HG2 GLU A 111 -14.092 2.473 -9.869 1.00 2.10 H new ATOM 0 HG3 GLU A 111 -14.849 3.947 -10.440 1.00 2.10 H new ATOM 1804 N GLY A 112 -18.856 3.164 -11.792 1.00 2.14 N ATOM 1805 CA GLY A 112 -19.727 2.824 -12.889 1.00 2.63 C ATOM 1806 C GLY A 112 -18.936 2.678 -14.167 1.00 2.73 C ATOM 1807 O GLY A 112 -18.423 3.664 -14.700 1.00 2.84 O ATOM 0 H GLY A 112 -18.449 4.098 -11.840 1.00 2.14 H new ATOM 0 HA2 GLY A 112 -20.251 1.893 -12.670 1.00 2.63 H new ATOM 0 HA3 GLY A 112 -20.487 3.596 -13.011 1.00 2.63 H new ATOM 1811 N THR A 113 -18.826 1.457 -14.657 1.00 2.90 N ATOM 1812 CA THR A 113 -18.016 1.184 -15.830 1.00 3.23 C ATOM 1813 C THR A 113 -18.816 0.429 -16.885 1.00 3.67 C ATOM 1814 O THR A 113 -19.392 -0.622 -16.597 1.00 3.88 O ATOM 1815 CB THR A 113 -16.763 0.366 -15.454 1.00 3.28 C ATOM 1816 OG1 THR A 113 -17.139 -0.787 -14.687 1.00 3.35 O ATOM 1817 CG2 THR A 113 -15.779 1.211 -14.659 1.00 3.54 C ATOM 0 H THR A 113 -19.288 0.638 -14.261 1.00 2.90 H new ATOM 0 HA THR A 113 -17.705 2.144 -16.242 1.00 3.23 H new ATOM 0 HB THR A 113 -16.278 0.046 -16.376 1.00 3.28 H new ATOM 0 HG1 THR A 113 -17.946 -1.187 -15.072 1.00 3.35 H new ATOM 0 HG21 THR A 113 -14.905 0.611 -14.407 1.00 3.54 H new ATOM 0 HG22 THR A 113 -15.470 2.069 -15.257 1.00 3.54 H new ATOM 0 HG23 THR A 113 -16.256 1.560 -13.743 1.00 3.54 H new ATOM 1825 N PRO A 114 -18.902 0.974 -18.107 1.00 4.04 N ATOM 1826 CA PRO A 114 -19.537 0.291 -19.234 1.00 4.61 C ATOM 1827 C PRO A 114 -18.746 -0.947 -19.655 1.00 4.86 C ATOM 1828 O PRO A 114 -19.038 -2.046 -19.134 1.00 5.02 O ATOM 1829 CB PRO A 114 -19.539 1.341 -20.355 1.00 5.03 C ATOM 1830 CG PRO A 114 -19.252 2.640 -19.680 1.00 4.78 C ATOM 1831 CD PRO A 114 -18.410 2.305 -18.485 1.00 4.18 C ATOM 1832 OXT PRO A 114 -17.817 -0.813 -20.478 1.00 5.20 O ATOM 0 HA PRO A 114 -20.536 -0.067 -18.987 1.00 4.61 H new ATOM 0 HB2 PRO A 114 -18.784 1.114 -21.108 1.00 5.03 H new ATOM 0 HB3 PRO A 114 -20.501 1.368 -20.867 1.00 5.03 H new ATOM 0 HG2 PRO A 114 -18.726 3.320 -20.350 1.00 4.78 H new ATOM 0 HG3 PRO A 114 -20.175 3.137 -19.381 1.00 4.78 H new ATOM 0 HD2 PRO A 114 -17.348 2.290 -18.729 1.00 4.18 H new ATOM 0 HD3 PRO A 114 -18.542 3.029 -17.681 1.00 4.18 H new TER 1840 PRO A 114 ATOM 1841 N MET B 1 -15.740 11.716 -18.472 1.00 8.36 N ATOM 1842 CA MET B 1 -14.764 10.865 -17.757 1.00 7.74 C ATOM 1843 C MET B 1 -15.279 9.436 -17.645 1.00 6.81 C ATOM 1844 O MET B 1 -16.074 9.118 -16.756 1.00 6.74 O ATOM 1845 CB MET B 1 -14.482 11.426 -16.359 1.00 8.17 C ATOM 1846 CG MET B 1 -13.530 10.565 -15.538 1.00 8.00 C ATOM 1847 SD MET B 1 -13.237 11.220 -13.883 1.00 8.58 S ATOM 1848 CE MET B 1 -12.374 12.744 -14.266 1.00 9.07 C ATOM 0 H1 MET B 1 -15.371 12.686 -18.538 1.00 8.36 H new ATOM 0 H2 MET B 1 -15.895 11.338 -19.428 1.00 8.36 H new ATOM 0 H3 MET B 1 -16.641 11.723 -17.952 1.00 8.36 H new ATOM 0 HA MET B 1 -13.836 10.861 -18.329 1.00 7.74 H new ATOM 0 HB2 MET B 1 -14.062 12.427 -16.456 1.00 8.17 H new ATOM 0 HB3 MET B 1 -15.424 11.527 -15.820 1.00 8.17 H new ATOM 0 HG2 MET B 1 -13.938 9.558 -15.457 1.00 8.00 H new ATOM 0 HG3 MET B 1 -12.579 10.482 -16.064 1.00 8.00 H new ATOM 0 HE1 MET B 1 -11.880 13.118 -13.369 1.00 9.07 H new ATOM 0 HE2 MET B 1 -11.629 12.556 -15.039 1.00 9.07 H new ATOM 0 HE3 MET B 1 -13.088 13.486 -14.624 1.00 9.07 H new ATOM 1860 N THR B 2 -14.832 8.579 -18.551 1.00 6.40 N ATOM 1861 CA THR B 2 -15.212 7.177 -18.517 1.00 5.75 C ATOM 1862 C THR B 2 -14.420 6.442 -17.436 1.00 4.74 C ATOM 1863 O THR B 2 -14.952 5.573 -16.742 1.00 4.68 O ATOM 1864 CB THR B 2 -15.014 6.491 -19.894 1.00 6.37 C ATOM 1865 OG1 THR B 2 -15.395 5.111 -19.820 1.00 6.66 O ATOM 1866 CG2 THR B 2 -13.571 6.600 -20.374 1.00 6.86 C ATOM 0 H THR B 2 -14.207 8.830 -19.317 1.00 6.40 H new ATOM 0 HA THR B 2 -16.274 7.128 -18.278 1.00 5.75 H new ATOM 0 HB THR B 2 -15.650 7.008 -20.613 1.00 6.37 H new ATOM 0 HG1 THR B 2 -15.267 4.689 -20.695 1.00 6.66 H new ATOM 0 HG21 THR B 2 -13.471 6.108 -21.342 1.00 6.86 H new ATOM 0 HG22 THR B 2 -13.298 7.651 -20.471 1.00 6.86 H new ATOM 0 HG23 THR B 2 -12.910 6.119 -19.653 1.00 6.86 H new ATOM 1874 N SER B 3 -13.161 6.822 -17.269 1.00 4.36 N ATOM 1875 CA SER B 3 -12.323 6.225 -16.251 1.00 3.64 C ATOM 1876 C SER B 3 -12.388 7.042 -14.967 1.00 2.69 C ATOM 1877 O SER B 3 -11.531 7.889 -14.704 1.00 3.06 O ATOM 1878 CB SER B 3 -10.882 6.101 -16.754 1.00 4.28 C ATOM 1879 OG SER B 3 -10.431 7.318 -17.324 1.00 5.24 O ATOM 0 H SER B 3 -12.702 7.541 -17.828 1.00 4.36 H new ATOM 0 HA SER B 3 -12.692 5.223 -16.033 1.00 3.64 H new ATOM 0 HB2 SER B 3 -10.229 5.819 -15.928 1.00 4.28 H new ATOM 0 HB3 SER B 3 -10.820 5.304 -17.495 1.00 4.28 H new ATOM 0 HG SER B 3 -10.615 8.056 -16.706 1.00 5.24 H new ATOM 1885 N LYS B 4 -13.441 6.805 -14.195 1.00 1.92 N ATOM 1886 CA LYS B 4 -13.601 7.432 -12.891 1.00 1.23 C ATOM 1887 C LYS B 4 -12.422 7.075 -11.989 1.00 1.10 C ATOM 1888 O LYS B 4 -11.913 7.909 -11.234 1.00 1.54 O ATOM 1889 CB LYS B 4 -14.914 6.969 -12.254 1.00 0.99 C ATOM 1890 CG LYS B 4 -15.025 7.322 -10.786 1.00 1.48 C ATOM 1891 CD LYS B 4 -15.006 8.827 -10.575 1.00 1.74 C ATOM 1892 CE LYS B 4 -14.894 9.180 -9.106 1.00 1.75 C ATOM 1893 NZ LYS B 4 -14.907 10.650 -8.891 1.00 2.34 N ATOM 0 H LYS B 4 -14.202 6.177 -14.453 1.00 1.92 H new ATOM 0 HA LYS B 4 -13.628 8.515 -13.015 1.00 1.23 H new ATOM 0 HB2 LYS B 4 -15.749 7.417 -12.792 1.00 0.99 H new ATOM 0 HB3 LYS B 4 -15.004 5.889 -12.369 1.00 0.99 H new ATOM 0 HG2 LYS B 4 -15.947 6.908 -10.379 1.00 1.48 H new ATOM 0 HG3 LYS B 4 -14.201 6.866 -10.237 1.00 1.48 H new ATOM 0 HD2 LYS B 4 -14.168 9.261 -11.120 1.00 1.74 H new ATOM 0 HD3 LYS B 4 -15.915 9.265 -10.987 1.00 1.74 H new ATOM 0 HE2 LYS B 4 -15.719 8.725 -8.559 1.00 1.75 H new ATOM 0 HE3 LYS B 4 -13.973 8.761 -8.700 1.00 1.75 H new ATOM 0 HZ1 LYS B 4 -14.880 10.852 -7.871 1.00 2.34 H new ATOM 0 HZ2 LYS B 4 -14.077 11.075 -9.350 1.00 2.34 H new ATOM 0 HZ3 LYS B 4 -15.774 11.053 -9.301 1.00 2.34 H new ATOM 1907 N MET B 5 -12.032 5.817 -12.064 1.00 0.81 N ATOM 1908 CA MET B 5 -10.839 5.301 -11.418 1.00 0.70 C ATOM 1909 C MET B 5 -9.612 6.188 -11.658 1.00 0.70 C ATOM 1910 O MET B 5 -9.498 6.857 -12.688 1.00 0.96 O ATOM 1911 CB MET B 5 -10.602 3.893 -11.935 1.00 0.86 C ATOM 1912 CG MET B 5 -11.533 2.877 -11.302 1.00 1.05 C ATOM 1913 SD MET B 5 -11.863 1.457 -12.369 1.00 1.90 S ATOM 1914 CE MET B 5 -10.213 0.794 -12.571 1.00 2.68 C ATOM 0 H MET B 5 -12.547 5.109 -12.587 1.00 0.81 H new ATOM 0 HA MET B 5 -10.993 5.293 -10.339 1.00 0.70 H new ATOM 0 HB2 MET B 5 -10.736 3.879 -13.017 1.00 0.86 H new ATOM 0 HB3 MET B 5 -9.569 3.606 -11.738 1.00 0.86 H new ATOM 0 HG2 MET B 5 -11.097 2.527 -10.366 1.00 1.05 H new ATOM 0 HG3 MET B 5 -12.476 3.363 -11.052 1.00 1.05 H new ATOM 0 HE1 MET B 5 -10.262 -0.139 -13.133 1.00 2.68 H new ATOM 0 HE2 MET B 5 -9.596 1.512 -13.112 1.00 2.68 H new ATOM 0 HE3 MET B 5 -9.775 0.604 -11.591 1.00 2.68 H new ATOM 1924 N SER B 6 -8.692 6.179 -10.701 1.00 0.50 N ATOM 1925 CA SER B 6 -7.546 7.073 -10.727 1.00 0.47 C ATOM 1926 C SER B 6 -6.256 6.260 -10.761 1.00 0.44 C ATOM 1927 O SER B 6 -6.300 5.033 -10.685 1.00 0.48 O ATOM 1928 CB SER B 6 -7.564 8.011 -9.511 1.00 0.46 C ATOM 1929 OG SER B 6 -6.643 9.079 -9.676 1.00 1.22 O ATOM 0 H SER B 6 -8.720 5.557 -9.893 1.00 0.50 H new ATOM 0 HA SER B 6 -7.598 7.687 -11.626 1.00 0.47 H new ATOM 0 HB2 SER B 6 -8.568 8.411 -9.371 1.00 0.46 H new ATOM 0 HB3 SER B 6 -7.316 7.449 -8.610 1.00 0.46 H new ATOM 0 HG SER B 6 -5.764 8.809 -9.337 1.00 1.22 H new ATOM 1935 N GLN B 7 -5.113 6.926 -10.874 1.00 0.42 N ATOM 1936 CA GLN B 7 -3.849 6.223 -10.990 1.00 0.42 C ATOM 1937 C GLN B 7 -3.553 5.428 -9.729 1.00 0.41 C ATOM 1938 O GLN B 7 -3.249 4.240 -9.792 1.00 0.43 O ATOM 1939 CB GLN B 7 -2.718 7.216 -11.238 1.00 0.43 C ATOM 1940 CG GLN B 7 -1.365 6.555 -11.433 1.00 0.46 C ATOM 1941 CD GLN B 7 -0.242 7.554 -11.625 1.00 1.49 C ATOM 1942 OE1 GLN B 7 0.734 7.278 -12.321 1.00 2.47 O ATOM 1943 NE2 GLN B 7 -0.363 8.720 -11.003 1.00 1.85 N ATOM 0 H GLN B 7 -5.039 7.943 -10.887 1.00 0.42 H new ATOM 0 HA GLN B 7 -3.922 5.534 -11.831 1.00 0.42 H new ATOM 0 HB2 GLN B 7 -2.954 7.810 -12.121 1.00 0.43 H new ATOM 0 HB3 GLN B 7 -2.659 7.905 -10.396 1.00 0.43 H new ATOM 0 HG2 GLN B 7 -1.144 5.930 -10.568 1.00 0.46 H new ATOM 0 HG3 GLN B 7 -1.410 5.896 -12.300 1.00 0.46 H new ATOM 0 HE21 GLN B 7 -1.188 8.912 -10.435 1.00 1.85 H new ATOM 0 HE22 GLN B 7 0.369 9.425 -11.093 1.00 1.85 H new ATOM 1952 N LEU B 8 -3.703 6.075 -8.585 1.00 0.40 N ATOM 1953 CA LEU B 8 -3.394 5.438 -7.319 1.00 0.42 C ATOM 1954 C LEU B 8 -4.389 4.346 -6.994 1.00 0.41 C ATOM 1955 O LEU B 8 -4.004 3.277 -6.544 1.00 0.44 O ATOM 1956 CB LEU B 8 -3.368 6.463 -6.195 1.00 0.47 C ATOM 1957 CG LEU B 8 -2.094 7.280 -6.107 1.00 0.95 C ATOM 1958 CD1 LEU B 8 -2.237 8.378 -5.069 1.00 1.32 C ATOM 1959 CD2 LEU B 8 -0.935 6.362 -5.776 1.00 1.81 C ATOM 0 H LEU B 8 -4.035 7.036 -8.508 1.00 0.40 H new ATOM 0 HA LEU B 8 -2.407 4.986 -7.413 1.00 0.42 H new ATOM 0 HB2 LEU B 8 -4.210 7.143 -6.323 1.00 0.47 H new ATOM 0 HB3 LEU B 8 -3.517 5.946 -5.247 1.00 0.47 H new ATOM 0 HG LEU B 8 -1.901 7.759 -7.067 1.00 0.95 H new ATOM 0 HD11 LEU B 8 -1.313 8.954 -5.019 1.00 1.32 H new ATOM 0 HD12 LEU B 8 -3.061 9.036 -5.346 1.00 1.32 H new ATOM 0 HD13 LEU B 8 -2.440 7.933 -4.095 1.00 1.32 H new ATOM 0 HD21 LEU B 8 -0.016 6.945 -5.712 1.00 1.81 H new ATOM 0 HD22 LEU B 8 -1.121 5.871 -4.821 1.00 1.81 H new ATOM 0 HD23 LEU B 8 -0.833 5.609 -6.557 1.00 1.81 H new ATOM 1971 N GLU B 9 -5.658 4.607 -7.253 1.00 0.43 N ATOM 1972 CA GLU B 9 -6.708 3.681 -6.895 1.00 0.47 C ATOM 1973 C GLU B 9 -6.551 2.363 -7.660 1.00 0.42 C ATOM 1974 O GLU B 9 -6.555 1.288 -7.056 1.00 0.43 O ATOM 1975 CB GLU B 9 -8.059 4.358 -7.131 1.00 0.62 C ATOM 1976 CG GLU B 9 -9.222 3.417 -7.349 1.00 0.77 C ATOM 1977 CD GLU B 9 -9.300 2.969 -8.784 1.00 1.45 C ATOM 1978 OE1 GLU B 9 -9.732 1.832 -9.045 1.00 2.28 O ATOM 1979 OE2 GLU B 9 -8.881 3.757 -9.654 1.00 2.05 O ATOM 0 H GLU B 9 -5.983 5.458 -7.712 1.00 0.43 H new ATOM 0 HA GLU B 9 -6.644 3.420 -5.839 1.00 0.47 H new ATOM 0 HB2 GLU B 9 -8.283 4.994 -6.275 1.00 0.62 H new ATOM 0 HB3 GLU B 9 -7.973 5.011 -7.999 1.00 0.62 H new ATOM 0 HG2 GLU B 9 -9.116 2.548 -6.700 1.00 0.77 H new ATOM 0 HG3 GLU B 9 -10.151 3.913 -7.069 1.00 0.77 H new ATOM 1986 N ARG B 10 -6.387 2.454 -8.981 1.00 0.40 N ATOM 1987 CA ARG B 10 -6.109 1.279 -9.800 1.00 0.38 C ATOM 1988 C ARG B 10 -4.871 0.557 -9.293 1.00 0.36 C ATOM 1989 O ARG B 10 -4.840 -0.671 -9.204 1.00 0.36 O ATOM 1990 CB ARG B 10 -5.895 1.678 -11.259 1.00 0.41 C ATOM 1991 CG ARG B 10 -7.137 2.230 -11.930 1.00 0.51 C ATOM 1992 CD ARG B 10 -6.863 2.617 -13.372 1.00 1.15 C ATOM 1993 NE ARG B 10 -5.986 3.785 -13.474 1.00 1.81 N ATOM 1994 CZ ARG B 10 -4.864 3.826 -14.195 1.00 2.62 C ATOM 1995 NH1 ARG B 10 -4.431 2.742 -14.830 1.00 2.94 N ATOM 1996 NH2 ARG B 10 -4.172 4.955 -14.278 1.00 3.54 N ATOM 0 H ARG B 10 -6.442 3.328 -9.503 1.00 0.40 H new ATOM 0 HA ARG B 10 -6.969 0.613 -9.732 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -5.103 2.426 -11.309 1.00 0.41 H new ATOM 0 HB3 ARG B 10 -5.548 0.808 -11.817 1.00 0.41 H new ATOM 0 HG2 ARG B 10 -7.932 1.485 -11.897 1.00 0.51 H new ATOM 0 HG3 ARG B 10 -7.493 3.101 -11.380 1.00 0.51 H new ATOM 0 HD2 ARG B 10 -6.406 1.775 -13.892 1.00 1.15 H new ATOM 0 HD3 ARG B 10 -7.806 2.828 -13.875 1.00 1.15 H new ATOM 0 HE ARG B 10 -6.251 4.625 -12.959 1.00 1.81 H new ATOM 0 HH11 ARG B 10 -4.957 1.870 -14.768 1.00 2.94 H new ATOM 0 HH12 ARG B 10 -3.572 2.782 -15.379 1.00 2.94 H new ATOM 0 HH21 ARG B 10 -4.498 5.790 -13.791 1.00 3.54 H new ATOM 0 HH22 ARG B 10 -3.314 4.988 -14.829 1.00 3.54 H new ATOM 2010 N ASN B 11 -3.857 1.337 -8.954 1.00 0.36 N ATOM 2011 CA ASN B 11 -2.605 0.796 -8.458 1.00 0.36 C ATOM 2012 C ASN B 11 -2.802 0.034 -7.152 1.00 0.34 C ATOM 2013 O ASN B 11 -2.196 -1.016 -6.946 1.00 0.38 O ATOM 2014 CB ASN B 11 -1.580 1.916 -8.280 1.00 0.42 C ATOM 2015 CG ASN B 11 -0.690 2.080 -9.498 1.00 0.94 C ATOM 2016 OD1 ASN B 11 -1.050 2.735 -10.470 1.00 1.69 O ATOM 2017 ND2 ASN B 11 0.496 1.506 -9.437 1.00 1.70 N ATOM 0 H ASN B 11 -3.879 2.355 -9.015 1.00 0.36 H new ATOM 0 HA ASN B 11 -2.229 0.088 -9.196 1.00 0.36 H new ATOM 0 HB2 ASN B 11 -2.100 2.854 -8.084 1.00 0.42 H new ATOM 0 HB3 ASN B 11 -0.962 1.705 -7.407 1.00 0.42 H new ATOM 0 HD21 ASN B 11 1.149 1.600 -10.215 1.00 1.70 H new ATOM 0 HD22 ASN B 11 0.761 0.969 -8.611 1.00 1.70 H new ATOM 2024 N ILE B 12 -3.659 0.558 -6.286 1.00 0.30 N ATOM 2025 CA ILE B 12 -3.967 -0.092 -5.021 1.00 0.29 C ATOM 2026 C ILE B 12 -4.729 -1.384 -5.273 1.00 0.29 C ATOM 2027 O ILE B 12 -4.387 -2.431 -4.730 1.00 0.31 O ATOM 2028 CB ILE B 12 -4.804 0.820 -4.090 1.00 0.28 C ATOM 2029 CG1 ILE B 12 -4.081 2.143 -3.844 1.00 0.33 C ATOM 2030 CG2 ILE B 12 -5.074 0.122 -2.764 1.00 0.28 C ATOM 2031 CD1 ILE B 12 -4.948 3.202 -3.204 1.00 0.32 C ATOM 0 H ILE B 12 -4.155 1.436 -6.439 1.00 0.30 H new ATOM 0 HA ILE B 12 -3.020 -0.304 -4.526 1.00 0.29 H new ATOM 0 HB ILE B 12 -5.756 1.026 -4.580 1.00 0.28 H new ATOM 0 HG12 ILE B 12 -3.216 1.961 -3.206 1.00 0.33 H new ATOM 0 HG13 ILE B 12 -3.703 2.522 -4.794 1.00 0.33 H new ATOM 0 HG21 ILE B 12 -5.663 0.777 -2.122 1.00 0.28 H new ATOM 0 HG22 ILE B 12 -5.625 -0.801 -2.944 1.00 0.28 H new ATOM 0 HG23 ILE B 12 -4.128 -0.110 -2.275 1.00 0.28 H new ATOM 0 HD11 ILE B 12 -4.365 4.112 -3.061 1.00 0.32 H new ATOM 0 HD12 ILE B 12 -5.800 3.414 -3.850 1.00 0.32 H new ATOM 0 HD13 ILE B 12 -5.306 2.845 -2.238 1.00 0.32 H new ATOM 2043 N GLU B 13 -5.743 -1.299 -6.128 1.00 0.31 N ATOM 2044 CA GLU B 13 -6.576 -2.448 -6.463 1.00 0.35 C ATOM 2045 C GLU B 13 -5.717 -3.574 -7.032 1.00 0.33 C ATOM 2046 O GLU B 13 -5.869 -4.736 -6.648 1.00 0.34 O ATOM 2047 CB GLU B 13 -7.652 -2.029 -7.468 1.00 0.42 C ATOM 2048 CG GLU B 13 -8.923 -2.870 -7.425 1.00 0.73 C ATOM 2049 CD GLU B 13 -8.743 -4.279 -7.945 1.00 1.28 C ATOM 2050 OE1 GLU B 13 -8.347 -4.442 -9.116 1.00 1.93 O ATOM 2051 OE2 GLU B 13 -9.046 -5.235 -7.201 1.00 1.95 O ATOM 0 H GLU B 13 -6.009 -0.438 -6.605 1.00 0.31 H new ATOM 0 HA GLU B 13 -7.063 -2.814 -5.559 1.00 0.35 H new ATOM 0 HB2 GLU B 13 -7.915 -0.987 -7.285 1.00 0.42 H new ATOM 0 HB3 GLU B 13 -7.232 -2.080 -8.473 1.00 0.42 H new ATOM 0 HG2 GLU B 13 -9.282 -2.916 -6.397 1.00 0.73 H new ATOM 0 HG3 GLU B 13 -9.696 -2.373 -8.011 1.00 0.73 H new ATOM 2058 N THR B 14 -4.795 -3.218 -7.928 1.00 0.33 N ATOM 2059 CA THR B 14 -3.885 -4.196 -8.517 1.00 0.35 C ATOM 2060 C THR B 14 -3.061 -4.881 -7.433 1.00 0.33 C ATOM 2061 O THR B 14 -2.852 -6.095 -7.468 1.00 0.34 O ATOM 2062 CB THR B 14 -2.937 -3.546 -9.546 1.00 0.39 C ATOM 2063 OG1 THR B 14 -3.700 -2.857 -10.546 1.00 0.43 O ATOM 2064 CG2 THR B 14 -2.046 -4.592 -10.214 1.00 0.44 C ATOM 0 H THR B 14 -4.661 -2.263 -8.259 1.00 0.33 H new ATOM 0 HA THR B 14 -4.498 -4.935 -9.033 1.00 0.35 H new ATOM 0 HB THR B 14 -2.299 -2.838 -9.017 1.00 0.39 H new ATOM 0 HG1 THR B 14 -4.107 -2.057 -10.153 1.00 0.43 H new ATOM 0 HG21 THR B 14 -1.389 -4.104 -10.934 1.00 0.44 H new ATOM 0 HG22 THR B 14 -1.445 -5.095 -9.457 1.00 0.44 H new ATOM 0 HG23 THR B 14 -2.668 -5.324 -10.729 1.00 0.44 H new ATOM 2072 N ILE B 15 -2.615 -4.103 -6.459 1.00 0.33 N ATOM 2073 CA ILE B 15 -1.848 -4.648 -5.352 1.00 0.34 C ATOM 2074 C ILE B 15 -2.702 -5.584 -4.516 1.00 0.33 C ATOM 2075 O ILE B 15 -2.307 -6.717 -4.240 1.00 0.36 O ATOM 2076 CB ILE B 15 -1.269 -3.536 -4.459 1.00 0.38 C ATOM 2077 CG1 ILE B 15 -0.232 -2.737 -5.243 1.00 0.40 C ATOM 2078 CG2 ILE B 15 -0.657 -4.118 -3.187 1.00 0.42 C ATOM 2079 CD1 ILE B 15 0.536 -1.757 -4.397 1.00 0.39 C ATOM 0 H ILE B 15 -2.771 -3.096 -6.413 1.00 0.33 H new ATOM 0 HA ILE B 15 -1.017 -5.208 -5.781 1.00 0.34 H new ATOM 0 HB ILE B 15 -2.078 -2.870 -4.159 1.00 0.38 H new ATOM 0 HG12 ILE B 15 0.469 -3.428 -5.712 1.00 0.40 H new ATOM 0 HG13 ILE B 15 -0.733 -2.197 -6.047 1.00 0.40 H new ATOM 0 HG21 ILE B 15 -0.255 -3.311 -2.574 1.00 0.42 H new ATOM 0 HG22 ILE B 15 -1.424 -4.653 -2.626 1.00 0.42 H new ATOM 0 HG23 ILE B 15 0.145 -4.807 -3.451 1.00 0.42 H new ATOM 0 HD11 ILE B 15 1.255 -1.224 -5.019 1.00 0.39 H new ATOM 0 HD12 ILE B 15 -0.155 -1.043 -3.949 1.00 0.39 H new ATOM 0 HD13 ILE B 15 1.065 -2.293 -3.609 1.00 0.39 H new ATOM 2091 N ILE B 16 -3.879 -5.107 -4.149 1.00 0.31 N ATOM 2092 CA ILE B 16 -4.798 -5.860 -3.319 1.00 0.32 C ATOM 2093 C ILE B 16 -5.094 -7.237 -3.911 1.00 0.30 C ATOM 2094 O ILE B 16 -4.913 -8.244 -3.234 1.00 0.36 O ATOM 2095 CB ILE B 16 -6.107 -5.073 -3.117 1.00 0.33 C ATOM 2096 CG1 ILE B 16 -5.813 -3.791 -2.333 1.00 0.33 C ATOM 2097 CG2 ILE B 16 -7.152 -5.920 -2.400 1.00 0.42 C ATOM 2098 CD1 ILE B 16 -6.990 -2.855 -2.226 1.00 0.34 C ATOM 0 H ILE B 16 -4.223 -4.186 -4.419 1.00 0.31 H new ATOM 0 HA ILE B 16 -4.320 -6.011 -2.351 1.00 0.32 H new ATOM 0 HB ILE B 16 -6.515 -4.810 -4.093 1.00 0.33 H new ATOM 0 HG12 ILE B 16 -5.482 -4.059 -1.330 1.00 0.33 H new ATOM 0 HG13 ILE B 16 -4.986 -3.266 -2.812 1.00 0.33 H new ATOM 0 HG21 ILE B 16 -8.065 -5.339 -2.271 1.00 0.42 H new ATOM 0 HG22 ILE B 16 -7.368 -6.809 -2.992 1.00 0.42 H new ATOM 0 HG23 ILE B 16 -6.771 -6.218 -1.423 1.00 0.42 H new ATOM 0 HD11 ILE B 16 -6.702 -1.971 -1.657 1.00 0.34 H new ATOM 0 HD12 ILE B 16 -7.309 -2.556 -3.224 1.00 0.34 H new ATOM 0 HD13 ILE B 16 -7.812 -3.361 -1.719 1.00 0.34 H new ATOM 2110 N ASN B 17 -5.508 -7.295 -5.174 1.00 0.30 N ATOM 2111 CA ASN B 17 -5.901 -8.574 -5.766 1.00 0.34 C ATOM 2112 C ASN B 17 -4.700 -9.500 -5.994 1.00 0.33 C ATOM 2113 O ASN B 17 -4.833 -10.719 -5.873 1.00 0.36 O ATOM 2114 CB ASN B 17 -6.710 -8.399 -7.065 1.00 0.49 C ATOM 2115 CG ASN B 17 -5.885 -7.975 -8.267 1.00 0.99 C ATOM 2116 OD1 ASN B 17 -5.269 -8.803 -8.938 1.00 1.69 O ATOM 2117 ND2 ASN B 17 -5.899 -6.691 -8.577 1.00 1.76 N ATOM 0 H ASN B 17 -5.580 -6.491 -5.797 1.00 0.30 H new ATOM 0 HA ASN B 17 -6.555 -9.051 -5.036 1.00 0.34 H new ATOM 0 HB2 ASN B 17 -7.210 -9.340 -7.297 1.00 0.49 H new ATOM 0 HB3 ASN B 17 -7.490 -7.657 -6.895 1.00 0.49 H new ATOM 0 HD21 ASN B 17 -5.389 -6.358 -9.395 1.00 1.76 H new ATOM 0 HD22 ASN B 17 -6.420 -6.032 -7.998 1.00 1.76 H new ATOM 2124 N THR B 18 -3.527 -8.946 -6.300 1.00 0.36 N ATOM 2125 CA THR B 18 -2.357 -9.782 -6.541 1.00 0.46 C ATOM 2126 C THR B 18 -1.798 -10.310 -5.217 1.00 0.45 C ATOM 2127 O THR B 18 -1.545 -11.509 -5.067 1.00 0.47 O ATOM 2128 CB THR B 18 -1.268 -9.027 -7.320 1.00 0.62 C ATOM 2129 OG1 THR B 18 -1.856 -8.333 -8.428 1.00 0.67 O ATOM 2130 CG2 THR B 18 -0.207 -9.987 -7.836 1.00 0.80 C ATOM 0 H THR B 18 -3.365 -7.943 -6.385 1.00 0.36 H new ATOM 0 HA THR B 18 -2.675 -10.625 -7.154 1.00 0.46 H new ATOM 0 HB THR B 18 -0.797 -8.314 -6.643 1.00 0.62 H new ATOM 0 HG1 THR B 18 -2.258 -7.496 -8.114 1.00 0.67 H new ATOM 0 HG21 THR B 18 0.553 -9.429 -8.384 1.00 0.80 H new ATOM 0 HG22 THR B 18 0.257 -10.503 -6.995 1.00 0.80 H new ATOM 0 HG23 THR B 18 -0.669 -10.718 -8.499 1.00 0.80 H new ATOM 2138 N PHE B 19 -1.642 -9.421 -4.239 1.00 0.47 N ATOM 2139 CA PHE B 19 -1.262 -9.839 -2.897 1.00 0.56 C ATOM 2140 C PHE B 19 -2.227 -10.911 -2.412 1.00 0.52 C ATOM 2141 O PHE B 19 -1.818 -11.920 -1.848 1.00 0.59 O ATOM 2142 CB PHE B 19 -1.258 -8.645 -1.928 1.00 0.66 C ATOM 2143 CG PHE B 19 0.109 -8.092 -1.659 1.00 1.59 C ATOM 2144 CD1 PHE B 19 0.725 -7.257 -2.572 1.00 2.57 C ATOM 2145 CD2 PHE B 19 0.775 -8.408 -0.489 1.00 2.21 C ATOM 2146 CE1 PHE B 19 1.985 -6.749 -2.327 1.00 3.51 C ATOM 2147 CE2 PHE B 19 2.033 -7.903 -0.237 1.00 3.16 C ATOM 2148 CZ PHE B 19 2.639 -7.073 -1.158 1.00 3.66 C ATOM 0 H PHE B 19 -1.772 -8.416 -4.351 1.00 0.47 H new ATOM 0 HA PHE B 19 -0.251 -10.246 -2.928 1.00 0.56 H new ATOM 0 HB2 PHE B 19 -1.886 -7.854 -2.338 1.00 0.66 H new ATOM 0 HB3 PHE B 19 -1.708 -8.953 -0.984 1.00 0.66 H new ATOM 0 HD1 PHE B 19 0.214 -6.999 -3.488 1.00 2.57 H new ATOM 0 HD2 PHE B 19 0.305 -9.057 0.235 1.00 2.21 H new ATOM 0 HE1 PHE B 19 2.457 -6.099 -3.049 1.00 3.51 H new ATOM 0 HE2 PHE B 19 2.544 -8.157 0.680 1.00 3.16 H new ATOM 0 HZ PHE B 19 3.625 -6.678 -0.963 1.00 3.66 H new ATOM 2158 N HIS B 20 -3.507 -10.702 -2.706 1.00 0.47 N ATOM 2159 CA HIS B 20 -4.557 -11.632 -2.317 1.00 0.56 C ATOM 2160 C HIS B 20 -4.495 -12.949 -3.078 1.00 0.47 C ATOM 2161 O HIS B 20 -5.053 -13.922 -2.621 1.00 0.44 O ATOM 2162 CB HIS B 20 -5.943 -11.011 -2.469 1.00 0.77 C ATOM 2163 CG HIS B 20 -6.284 -10.045 -1.379 1.00 1.35 C ATOM 2164 ND1 HIS B 20 -7.509 -9.423 -1.281 1.00 2.05 N ATOM 2165 CD2 HIS B 20 -5.548 -9.585 -0.337 1.00 2.12 C ATOM 2166 CE1 HIS B 20 -7.514 -8.624 -0.232 1.00 2.78 C ATOM 2167 NE2 HIS B 20 -6.336 -8.703 0.359 1.00 2.83 N ATOM 0 H HIS B 20 -3.842 -9.886 -3.218 1.00 0.47 H new ATOM 0 HA HIS B 20 -4.380 -11.851 -1.264 1.00 0.56 H new ATOM 0 HB2 HIS B 20 -6.000 -10.499 -3.429 1.00 0.77 H new ATOM 0 HB3 HIS B 20 -6.689 -11.806 -2.487 1.00 0.77 H new ATOM 0 HD1 HIS B 20 -8.291 -9.559 -1.921 1.00 2.05 H new ATOM 0 HD2 HIS B 20 -4.531 -9.861 -0.099 1.00 2.12 H new ATOM 0 HE1 HIS B 20 -8.342 -8.009 0.089 1.00 2.78 H new ATOM 2176 N GLN B 21 -3.861 -12.989 -4.245 1.00 0.46 N ATOM 2177 CA GLN B 21 -3.696 -14.261 -4.951 1.00 0.47 C ATOM 2178 C GLN B 21 -2.727 -15.135 -4.171 1.00 0.48 C ATOM 2179 O GLN B 21 -2.820 -16.361 -4.190 1.00 0.52 O ATOM 2180 CB GLN B 21 -3.205 -14.082 -6.396 1.00 0.49 C ATOM 2181 CG GLN B 21 -1.694 -13.967 -6.532 1.00 0.47 C ATOM 2182 CD GLN B 21 -1.224 -14.097 -7.963 1.00 0.68 C ATOM 2183 OE1 GLN B 21 -1.115 -13.109 -8.686 1.00 1.45 O ATOM 2184 NE2 GLN B 21 -0.937 -15.317 -8.380 1.00 1.05 N ATOM 0 H GLN B 21 -3.460 -12.178 -4.716 1.00 0.46 H new ATOM 0 HA GLN B 21 -4.675 -14.737 -5.015 1.00 0.47 H new ATOM 0 HB2 GLN B 21 -3.549 -14.927 -6.992 1.00 0.49 H new ATOM 0 HB3 GLN B 21 -3.665 -13.188 -6.816 1.00 0.49 H new ATOM 0 HG2 GLN B 21 -1.370 -13.006 -6.134 1.00 0.47 H new ATOM 0 HG3 GLN B 21 -1.219 -14.739 -5.927 1.00 0.47 H new ATOM 0 HE21 GLN B 21 -1.041 -16.110 -7.747 1.00 1.05 H new ATOM 0 HE22 GLN B 21 -0.611 -15.466 -9.335 1.00 1.05 H new ATOM 2193 N TYR B 22 -1.779 -14.499 -3.503 1.00 0.46 N ATOM 2194 CA TYR B 22 -0.890 -15.222 -2.607 1.00 0.49 C ATOM 2195 C TYR B 22 -1.609 -15.525 -1.294 1.00 0.51 C ATOM 2196 O TYR B 22 -1.352 -16.538 -0.655 1.00 0.57 O ATOM 2197 CB TYR B 22 0.388 -14.422 -2.349 1.00 0.49 C ATOM 2198 CG TYR B 22 1.178 -14.135 -3.606 1.00 0.53 C ATOM 2199 CD1 TYR B 22 2.084 -15.059 -4.108 1.00 1.37 C ATOM 2200 CD2 TYR B 22 1.010 -12.942 -4.294 1.00 1.22 C ATOM 2201 CE1 TYR B 22 2.801 -14.800 -5.261 1.00 1.40 C ATOM 2202 CE2 TYR B 22 1.722 -12.675 -5.445 1.00 1.28 C ATOM 2203 CZ TYR B 22 2.615 -13.605 -5.925 1.00 0.71 C ATOM 2204 OH TYR B 22 3.319 -13.343 -7.075 1.00 0.83 O ATOM 0 H TYR B 22 -1.606 -13.496 -3.562 1.00 0.46 H new ATOM 0 HA TYR B 22 -0.608 -16.163 -3.079 1.00 0.49 H new ATOM 0 HB2 TYR B 22 0.127 -13.479 -1.869 1.00 0.49 H new ATOM 0 HB3 TYR B 22 1.018 -14.972 -1.650 1.00 0.49 H new ATOM 0 HD1 TYR B 22 2.231 -15.995 -3.590 1.00 1.37 H new ATOM 0 HD2 TYR B 22 0.309 -12.209 -3.922 1.00 1.22 H new ATOM 0 HE1 TYR B 22 3.502 -15.529 -5.640 1.00 1.40 H new ATOM 0 HE2 TYR B 22 1.579 -11.740 -5.967 1.00 1.28 H new ATOM 0 HH TYR B 22 3.254 -12.389 -7.288 1.00 0.83 H new ATOM 2214 N SER B 23 -2.527 -14.643 -0.917 1.00 0.50 N ATOM 2215 CA SER B 23 -3.308 -14.798 0.309 1.00 0.53 C ATOM 2216 C SER B 23 -4.414 -15.846 0.133 1.00 0.56 C ATOM 2217 O SER B 23 -4.809 -16.530 1.077 1.00 0.61 O ATOM 2218 CB SER B 23 -3.924 -13.447 0.685 1.00 0.52 C ATOM 2219 OG SER B 23 -3.011 -12.386 0.485 1.00 1.04 O ATOM 0 H SER B 23 -2.752 -13.802 -1.449 1.00 0.50 H new ATOM 0 HA SER B 23 -2.646 -15.140 1.104 1.00 0.53 H new ATOM 0 HB2 SER B 23 -4.819 -13.275 0.087 1.00 0.52 H new ATOM 0 HB3 SER B 23 -4.237 -13.467 1.729 1.00 0.52 H new ATOM 0 HG SER B 23 -2.632 -12.446 -0.417 1.00 1.04 H new ATOM 2225 N VAL B 24 -4.894 -15.967 -1.096 1.00 0.57 N ATOM 2226 CA VAL B 24 -6.058 -16.791 -1.419 1.00 0.61 C ATOM 2227 C VAL B 24 -5.698 -18.266 -1.474 1.00 0.64 C ATOM 2228 O VAL B 24 -6.563 -19.124 -1.650 1.00 0.69 O ATOM 2229 CB VAL B 24 -6.686 -16.342 -2.764 1.00 0.61 C ATOM 2230 CG1 VAL B 24 -5.836 -16.782 -3.944 1.00 0.60 C ATOM 2231 CG2 VAL B 24 -8.118 -16.837 -2.913 1.00 0.68 C ATOM 0 H VAL B 24 -4.487 -15.495 -1.904 1.00 0.57 H new ATOM 0 HA VAL B 24 -6.790 -16.654 -0.623 1.00 0.61 H new ATOM 0 HB VAL B 24 -6.715 -15.252 -2.755 1.00 0.61 H new ATOM 0 HG11 VAL B 24 -6.303 -16.452 -4.872 1.00 0.60 H new ATOM 0 HG12 VAL B 24 -4.843 -16.341 -3.861 1.00 0.60 H new ATOM 0 HG13 VAL B 24 -5.752 -17.869 -3.947 1.00 0.60 H new ATOM 0 HG21 VAL B 24 -8.522 -16.501 -3.868 1.00 0.68 H new ATOM 0 HG22 VAL B 24 -8.132 -17.926 -2.876 1.00 0.68 H new ATOM 0 HG23 VAL B 24 -8.727 -16.438 -2.102 1.00 0.68 H new ATOM 2241 N LYS B 25 -4.425 -18.560 -1.300 1.00 0.64 N ATOM 2242 CA LYS B 25 -3.953 -19.926 -1.372 1.00 0.73 C ATOM 2243 C LYS B 25 -4.564 -20.768 -0.246 1.00 0.83 C ATOM 2244 O LYS B 25 -4.674 -21.991 -0.355 1.00 0.97 O ATOM 2245 CB LYS B 25 -2.427 -19.960 -1.318 1.00 0.77 C ATOM 2246 CG LYS B 25 -1.777 -19.161 -2.436 1.00 0.78 C ATOM 2247 CD LYS B 25 -0.254 -19.227 -2.403 1.00 0.86 C ATOM 2248 CE LYS B 25 0.267 -20.647 -2.558 1.00 1.31 C ATOM 2249 NZ LYS B 25 0.461 -21.323 -1.247 1.00 2.17 N ATOM 0 H LYS B 25 -3.699 -17.870 -1.108 1.00 0.64 H new ATOM 0 HA LYS B 25 -4.271 -20.357 -2.321 1.00 0.73 H new ATOM 0 HB2 LYS B 25 -2.094 -19.568 -0.357 1.00 0.77 H new ATOM 0 HB3 LYS B 25 -2.090 -20.995 -1.374 1.00 0.77 H new ATOM 0 HG2 LYS B 25 -2.131 -19.535 -3.397 1.00 0.78 H new ATOM 0 HG3 LYS B 25 -2.092 -18.120 -2.363 1.00 0.78 H new ATOM 0 HD2 LYS B 25 0.151 -18.605 -3.201 1.00 0.86 H new ATOM 0 HD3 LYS B 25 0.105 -18.812 -1.461 1.00 0.86 H new ATOM 0 HE2 LYS B 25 -0.433 -21.225 -3.162 1.00 1.31 H new ATOM 0 HE3 LYS B 25 1.214 -20.628 -3.098 1.00 1.31 H new ATOM 0 HZ1 LYS B 25 1.456 -21.610 -1.148 1.00 2.17 H new ATOM 0 HZ2 LYS B 25 0.212 -20.668 -0.478 1.00 2.17 H new ATOM 0 HZ3 LYS B 25 -0.149 -22.164 -1.197 1.00 2.17 H new ATOM 2263 N LEU B 26 -4.974 -20.099 0.832 1.00 0.82 N ATOM 2264 CA LEU B 26 -5.624 -20.768 1.959 1.00 1.01 C ATOM 2265 C LEU B 26 -7.152 -20.857 1.780 1.00 1.11 C ATOM 2266 O LEU B 26 -7.837 -21.520 2.562 1.00 1.37 O ATOM 2267 CB LEU B 26 -5.298 -20.014 3.252 1.00 1.05 C ATOM 2268 CG LEU B 26 -5.827 -20.644 4.543 1.00 1.28 C ATOM 2269 CD1 LEU B 26 -5.168 -21.990 4.793 1.00 2.04 C ATOM 2270 CD2 LEU B 26 -5.605 -19.710 5.723 1.00 1.92 C ATOM 0 H LEU B 26 -4.867 -19.091 0.948 1.00 0.82 H new ATOM 0 HA LEU B 26 -5.242 -21.788 2.008 1.00 1.01 H new ATOM 0 HB2 LEU B 26 -4.215 -19.921 3.333 1.00 1.05 H new ATOM 0 HB3 LEU B 26 -5.699 -19.004 3.172 1.00 1.05 H new ATOM 0 HG LEU B 26 -6.899 -20.806 4.431 1.00 1.28 H new ATOM 0 HD11 LEU B 26 -5.558 -22.420 5.715 1.00 2.04 H new ATOM 0 HD12 LEU B 26 -5.382 -22.660 3.961 1.00 2.04 H new ATOM 0 HD13 LEU B 26 -4.090 -21.856 4.883 1.00 2.04 H new ATOM 0 HD21 LEU B 26 -5.987 -20.175 6.632 1.00 1.92 H new ATOM 0 HD22 LEU B 26 -4.539 -19.514 5.836 1.00 1.92 H new ATOM 0 HD23 LEU B 26 -6.130 -18.771 5.547 1.00 1.92 H new ATOM 2282 N GLY B 27 -7.682 -20.217 0.746 1.00 0.98 N ATOM 2283 CA GLY B 27 -9.127 -20.195 0.538 1.00 1.09 C ATOM 2284 C GLY B 27 -9.653 -18.776 0.537 1.00 1.05 C ATOM 2285 O GLY B 27 -9.226 -17.971 -0.283 1.00 1.43 O ATOM 0 H GLY B 27 -7.142 -19.711 0.044 1.00 0.98 H new ATOM 0 HA2 GLY B 27 -9.369 -20.677 -0.409 1.00 1.09 H new ATOM 0 HA3 GLY B 27 -9.620 -20.769 1.323 1.00 1.09 H new ATOM 2289 N HIS B 28 -10.585 -18.459 1.440 1.00 1.17 N ATOM 2290 CA HIS B 28 -10.920 -17.058 1.687 1.00 1.12 C ATOM 2291 C HIS B 28 -9.633 -16.383 2.146 1.00 0.81 C ATOM 2292 O HIS B 28 -9.107 -16.715 3.209 1.00 1.01 O ATOM 2293 CB HIS B 28 -12.060 -16.905 2.719 1.00 1.33 C ATOM 2294 CG HIS B 28 -11.729 -17.330 4.123 1.00 1.94 C ATOM 2295 ND1 HIS B 28 -11.526 -16.433 5.152 1.00 2.65 N ATOM 2296 CD2 HIS B 28 -11.586 -18.560 4.670 1.00 2.83 C ATOM 2297 CE1 HIS B 28 -11.271 -17.093 6.265 1.00 3.58 C ATOM 2298 NE2 HIS B 28 -11.300 -18.386 6.003 1.00 3.70 N ATOM 0 H HIS B 28 -11.108 -19.134 1.998 1.00 1.17 H new ATOM 0 HA HIS B 28 -11.300 -16.586 0.781 1.00 1.12 H new ATOM 0 HB2 HIS B 28 -12.370 -15.860 2.739 1.00 1.33 H new ATOM 0 HB3 HIS B 28 -12.917 -17.485 2.376 1.00 1.33 H new ATOM 0 HD2 HIS B 28 -11.679 -19.504 4.154 1.00 2.83 H new ATOM 0 HE1 HIS B 28 -11.072 -16.649 7.229 1.00 3.58 H new ATOM 0 HE2 HIS B 28 -11.137 -19.133 6.678 1.00 3.70 H new ATOM 2307 N PRO B 29 -9.077 -15.470 1.338 1.00 1.15 N ATOM 2308 CA PRO B 29 -7.629 -15.202 1.389 1.00 1.09 C ATOM 2309 C PRO B 29 -7.163 -14.387 2.581 1.00 0.60 C ATOM 2310 O PRO B 29 -6.338 -13.502 2.372 1.00 0.84 O ATOM 2311 CB PRO B 29 -7.461 -14.334 0.141 1.00 1.96 C ATOM 2312 CG PRO B 29 -8.736 -13.586 0.098 1.00 2.64 C ATOM 2313 CD PRO B 29 -9.773 -14.625 0.364 1.00 2.17 C ATOM 0 HA PRO B 29 -7.060 -16.130 1.454 1.00 1.09 H new ATOM 0 HB2 PRO B 29 -6.602 -13.668 0.223 1.00 1.96 H new ATOM 0 HB3 PRO B 29 -7.313 -14.936 -0.755 1.00 1.96 H new ATOM 0 HG2 PRO B 29 -8.761 -12.796 0.849 1.00 2.64 H new ATOM 0 HG3 PRO B 29 -8.887 -13.110 -0.871 1.00 2.64 H new ATOM 0 HD2 PRO B 29 -10.690 -14.198 0.769 1.00 2.17 H new ATOM 0 HD3 PRO B 29 -10.048 -15.174 -0.537 1.00 2.17 H new ATOM 2321 N ASP B 30 -7.652 -14.566 3.770 1.00 0.65 N ATOM 2322 CA ASP B 30 -7.751 -13.407 4.676 1.00 0.87 C ATOM 2323 C ASP B 30 -6.379 -12.939 5.227 1.00 0.81 C ATOM 2324 O ASP B 30 -6.297 -12.006 6.028 1.00 1.09 O ATOM 2325 CB ASP B 30 -8.689 -13.763 5.832 1.00 1.32 C ATOM 2326 CG ASP B 30 -9.183 -12.553 6.603 1.00 1.89 C ATOM 2327 OD1 ASP B 30 -10.101 -11.863 6.109 1.00 2.56 O ATOM 2328 OD2 ASP B 30 -8.690 -12.312 7.725 1.00 2.35 O ATOM 0 H ASP B 30 -7.983 -15.454 4.147 1.00 0.65 H new ATOM 0 HA ASP B 30 -8.146 -12.572 4.098 1.00 0.87 H new ATOM 0 HB2 ASP B 30 -9.547 -14.309 5.439 1.00 1.32 H new ATOM 0 HB3 ASP B 30 -8.171 -14.434 6.517 1.00 1.32 H new ATOM 2333 N THR B 31 -5.322 -13.586 4.773 1.00 0.57 N ATOM 2334 CA THR B 31 -4.005 -13.453 5.352 1.00 0.55 C ATOM 2335 C THR B 31 -2.924 -13.845 4.355 1.00 0.51 C ATOM 2336 O THR B 31 -3.214 -14.362 3.285 1.00 0.59 O ATOM 2337 CB THR B 31 -3.868 -14.328 6.610 1.00 0.67 C ATOM 2338 OG1 THR B 31 -2.615 -14.099 7.239 1.00 1.40 O ATOM 2339 CG2 THR B 31 -4.015 -15.807 6.274 1.00 1.24 C ATOM 0 H THR B 31 -5.358 -14.227 3.980 1.00 0.57 H new ATOM 0 HA THR B 31 -3.877 -12.405 5.624 1.00 0.55 H new ATOM 0 HB THR B 31 -4.669 -14.051 7.295 1.00 0.67 H new ATOM 0 HG1 THR B 31 -1.973 -14.780 6.948 1.00 1.40 H new ATOM 0 HG21 THR B 31 -3.913 -16.399 7.184 1.00 1.24 H new ATOM 0 HG22 THR B 31 -4.996 -15.984 5.834 1.00 1.24 H new ATOM 0 HG23 THR B 31 -3.241 -16.097 5.564 1.00 1.24 H new ATOM 2347 N LEU B 32 -1.687 -13.625 4.741 1.00 0.50 N ATOM 2348 CA LEU B 32 -0.557 -14.326 4.158 1.00 0.50 C ATOM 2349 C LEU B 32 0.155 -15.074 5.257 1.00 0.50 C ATOM 2350 O LEU B 32 0.647 -14.464 6.204 1.00 0.50 O ATOM 2351 CB LEU B 32 0.399 -13.344 3.508 1.00 0.50 C ATOM 2352 CG LEU B 32 -0.180 -12.625 2.290 1.00 0.59 C ATOM 2353 CD1 LEU B 32 0.543 -11.312 2.046 1.00 0.61 C ATOM 2354 CD2 LEU B 32 -0.076 -13.512 1.062 1.00 0.73 C ATOM 0 H LEU B 32 -1.433 -12.956 5.468 1.00 0.50 H new ATOM 0 HA LEU B 32 -0.910 -15.017 3.393 1.00 0.50 H new ATOM 0 HB2 LEU B 32 0.698 -12.601 4.247 1.00 0.50 H new ATOM 0 HB3 LEU B 32 1.302 -13.876 3.208 1.00 0.50 H new ATOM 0 HG LEU B 32 -1.230 -12.409 2.486 1.00 0.59 H new ATOM 0 HD11 LEU B 32 0.115 -10.817 1.174 1.00 0.61 H new ATOM 0 HD12 LEU B 32 0.433 -10.669 2.919 1.00 0.61 H new ATOM 0 HD13 LEU B 32 1.601 -11.507 1.869 1.00 0.61 H new ATOM 0 HD21 LEU B 32 -0.491 -12.990 0.200 1.00 0.73 H new ATOM 0 HD22 LEU B 32 0.971 -13.750 0.873 1.00 0.73 H new ATOM 0 HD23 LEU B 32 -0.633 -14.434 1.231 1.00 0.73 H new ATOM 2366 N ASN B 33 0.211 -16.388 5.155 1.00 0.51 N ATOM 2367 CA ASN B 33 0.945 -17.156 6.142 1.00 0.53 C ATOM 2368 C ASN B 33 2.419 -17.153 5.777 1.00 0.48 C ATOM 2369 O ASN B 33 2.822 -16.496 4.815 1.00 0.49 O ATOM 2370 CB ASN B 33 0.401 -18.589 6.284 1.00 0.60 C ATOM 2371 CG ASN B 33 1.000 -19.599 5.310 1.00 1.46 C ATOM 2372 OD1 ASN B 33 1.383 -19.273 4.190 1.00 2.37 O ATOM 2373 ND2 ASN B 33 1.089 -20.846 5.747 1.00 2.02 N ATOM 0 H ASN B 33 -0.232 -16.936 4.417 1.00 0.51 H new ATOM 0 HA ASN B 33 0.814 -16.686 7.117 1.00 0.53 H new ATOM 0 HB2 ASN B 33 0.585 -18.933 7.302 1.00 0.60 H new ATOM 0 HB3 ASN B 33 -0.680 -18.568 6.145 1.00 0.60 H new ATOM 0 HD21 ASN B 33 1.485 -21.570 5.147 1.00 2.02 H new ATOM 0 HD22 ASN B 33 0.761 -21.083 6.683 1.00 2.02 H new ATOM 2380 N GLN B 34 3.216 -17.868 6.546 1.00 0.46 N ATOM 2381 CA GLN B 34 4.652 -17.904 6.342 1.00 0.44 C ATOM 2382 C GLN B 34 5.010 -18.242 4.896 1.00 0.43 C ATOM 2383 O GLN B 34 5.833 -17.568 4.281 1.00 0.42 O ATOM 2384 CB GLN B 34 5.267 -18.915 7.301 1.00 0.45 C ATOM 2385 CG GLN B 34 6.780 -19.007 7.223 1.00 0.47 C ATOM 2386 CD GLN B 34 7.343 -20.043 8.174 1.00 0.58 C ATOM 2387 OE1 GLN B 34 7.510 -21.208 7.816 1.00 1.05 O ATOM 2388 NE2 GLN B 34 7.624 -19.629 9.398 1.00 1.42 N ATOM 0 H GLN B 34 2.889 -18.438 7.326 1.00 0.46 H new ATOM 0 HA GLN B 34 5.057 -16.913 6.545 1.00 0.44 H new ATOM 0 HB2 GLN B 34 4.982 -18.652 8.320 1.00 0.45 H new ATOM 0 HB3 GLN B 34 4.843 -19.898 7.095 1.00 0.45 H new ATOM 0 HG2 GLN B 34 7.075 -19.255 6.203 1.00 0.47 H new ATOM 0 HG3 GLN B 34 7.213 -18.033 7.452 1.00 0.47 H new ATOM 0 HE21 GLN B 34 7.471 -18.654 9.654 1.00 1.42 H new ATOM 0 HE22 GLN B 34 7.994 -20.285 10.086 1.00 1.42 H new ATOM 2397 N GLY B 35 4.356 -19.252 4.347 1.00 0.43 N ATOM 2398 CA GLY B 35 4.688 -19.710 3.013 1.00 0.44 C ATOM 2399 C GLY B 35 4.208 -18.756 1.943 1.00 0.44 C ATOM 2400 O GLY B 35 4.908 -18.499 0.960 1.00 0.44 O ATOM 0 H GLY B 35 3.600 -19.765 4.801 1.00 0.43 H new ATOM 0 HA2 GLY B 35 5.768 -19.831 2.931 1.00 0.44 H new ATOM 0 HA3 GLY B 35 4.244 -20.692 2.847 1.00 0.44 H new ATOM 2404 N GLU B 36 3.015 -18.223 2.141 1.00 0.46 N ATOM 2405 CA GLU B 36 2.407 -17.317 1.185 1.00 0.49 C ATOM 2406 C GLU B 36 3.145 -15.985 1.159 1.00 0.46 C ATOM 2407 O GLU B 36 3.360 -15.407 0.093 1.00 0.46 O ATOM 2408 CB GLU B 36 0.935 -17.121 1.541 1.00 0.53 C ATOM 2409 CG GLU B 36 0.164 -18.430 1.531 1.00 0.68 C ATOM 2410 CD GLU B 36 -1.170 -18.349 2.240 1.00 1.13 C ATOM 2411 OE1 GLU B 36 -1.231 -17.733 3.325 1.00 2.01 O ATOM 2412 OE2 GLU B 36 -2.145 -18.956 1.745 1.00 1.50 O ATOM 0 H GLU B 36 2.443 -18.406 2.966 1.00 0.46 H new ATOM 0 HA GLU B 36 2.476 -17.749 0.187 1.00 0.49 H new ATOM 0 HB2 GLU B 36 0.859 -16.664 2.528 1.00 0.53 H new ATOM 0 HB3 GLU B 36 0.481 -16.428 0.833 1.00 0.53 H new ATOM 0 HG2 GLU B 36 -0.000 -18.738 0.498 1.00 0.68 H new ATOM 0 HG3 GLU B 36 0.771 -19.204 2.002 1.00 0.68 H new ATOM 2419 N PHE B 37 3.546 -15.510 2.333 1.00 0.44 N ATOM 2420 CA PHE B 37 4.279 -14.256 2.435 1.00 0.42 C ATOM 2421 C PHE B 37 5.648 -14.370 1.776 1.00 0.37 C ATOM 2422 O PHE B 37 6.056 -13.487 1.020 1.00 0.36 O ATOM 2423 CB PHE B 37 4.439 -13.824 3.894 1.00 0.43 C ATOM 2424 CG PHE B 37 5.136 -12.503 4.033 1.00 0.48 C ATOM 2425 CD1 PHE B 37 6.388 -12.425 4.615 1.00 1.40 C ATOM 2426 CD2 PHE B 37 4.545 -11.340 3.561 1.00 1.18 C ATOM 2427 CE1 PHE B 37 7.040 -11.214 4.726 1.00 1.47 C ATOM 2428 CE2 PHE B 37 5.191 -10.125 3.673 1.00 1.20 C ATOM 2429 CZ PHE B 37 6.441 -10.063 4.256 1.00 0.67 C ATOM 0 H PHE B 37 3.376 -15.974 3.225 1.00 0.44 H new ATOM 0 HA PHE B 37 3.699 -13.497 1.911 1.00 0.42 H new ATOM 0 HB2 PHE B 37 3.456 -13.762 4.360 1.00 0.43 H new ATOM 0 HB3 PHE B 37 5.001 -14.585 4.435 1.00 0.43 H new ATOM 0 HD1 PHE B 37 6.861 -13.322 4.987 1.00 1.40 H new ATOM 0 HD2 PHE B 37 3.569 -11.386 3.101 1.00 1.18 H new ATOM 0 HE1 PHE B 37 8.019 -11.167 5.180 1.00 1.47 H new ATOM 0 HE2 PHE B 37 4.720 -9.225 3.306 1.00 1.20 H new ATOM 0 HZ PHE B 37 6.950 -9.114 4.344 1.00 0.67 H new ATOM 2439 N LYS B 38 6.356 -15.460 2.070 1.00 0.36 N ATOM 2440 CA LYS B 38 7.676 -15.689 1.494 1.00 0.34 C ATOM 2441 C LYS B 38 7.606 -15.696 -0.024 1.00 0.31 C ATOM 2442 O LYS B 38 8.412 -15.057 -0.686 1.00 0.30 O ATOM 2443 CB LYS B 38 8.270 -17.008 1.989 1.00 0.39 C ATOM 2444 CG LYS B 38 8.657 -16.996 3.459 1.00 0.67 C ATOM 2445 CD LYS B 38 9.093 -18.375 3.924 1.00 0.63 C ATOM 2446 CE LYS B 38 10.380 -18.817 3.247 1.00 1.08 C ATOM 2447 NZ LYS B 38 10.742 -20.216 3.591 1.00 1.39 N ATOM 0 H LYS B 38 6.037 -16.195 2.702 1.00 0.36 H new ATOM 0 HA LYS B 38 8.323 -14.873 1.816 1.00 0.34 H new ATOM 0 HB2 LYS B 38 7.548 -17.807 1.820 1.00 0.39 H new ATOM 0 HB3 LYS B 38 9.152 -17.244 1.393 1.00 0.39 H new ATOM 0 HG2 LYS B 38 9.466 -16.283 3.619 1.00 0.67 H new ATOM 0 HG3 LYS B 38 7.811 -16.658 4.058 1.00 0.67 H new ATOM 0 HD2 LYS B 38 9.235 -18.366 5.005 1.00 0.63 H new ATOM 0 HD3 LYS B 38 8.304 -19.097 3.712 1.00 0.63 H new ATOM 0 HE2 LYS B 38 10.270 -18.727 2.166 1.00 1.08 H new ATOM 0 HE3 LYS B 38 11.191 -18.151 3.541 1.00 1.08 H new ATOM 0 HZ1 LYS B 38 11.546 -20.520 3.006 1.00 1.39 H new ATOM 0 HZ2 LYS B 38 11.005 -20.269 4.596 1.00 1.39 H new ATOM 0 HZ3 LYS B 38 9.929 -20.839 3.412 1.00 1.39 H new ATOM 2461 N GLU B 39 6.632 -16.417 -0.558 1.00 0.33 N ATOM 2462 CA GLU B 39 6.420 -16.482 -1.996 1.00 0.35 C ATOM 2463 C GLU B 39 6.092 -15.104 -2.560 1.00 0.35 C ATOM 2464 O GLU B 39 6.656 -14.697 -3.570 1.00 0.36 O ATOM 2465 CB GLU B 39 5.294 -17.462 -2.322 1.00 0.39 C ATOM 2466 CG GLU B 39 5.036 -17.616 -3.814 1.00 0.49 C ATOM 2467 CD GLU B 39 4.068 -18.737 -4.121 1.00 1.00 C ATOM 2468 OE1 GLU B 39 2.869 -18.601 -3.801 1.00 1.75 O ATOM 2469 OE2 GLU B 39 4.501 -19.761 -4.688 1.00 1.64 O ATOM 0 H GLU B 39 5.971 -16.970 -0.012 1.00 0.33 H new ATOM 0 HA GLU B 39 7.342 -16.833 -2.459 1.00 0.35 H new ATOM 0 HB2 GLU B 39 5.539 -18.437 -1.901 1.00 0.39 H new ATOM 0 HB3 GLU B 39 4.378 -17.126 -1.836 1.00 0.39 H new ATOM 0 HG2 GLU B 39 4.641 -16.680 -4.210 1.00 0.49 H new ATOM 0 HG3 GLU B 39 5.980 -17.805 -4.325 1.00 0.49 H new ATOM 2476 N LEU B 40 5.197 -14.388 -1.889 1.00 0.35 N ATOM 2477 CA LEU B 40 4.823 -13.036 -2.295 1.00 0.37 C ATOM 2478 C LEU B 40 6.072 -12.175 -2.476 1.00 0.33 C ATOM 2479 O LEU B 40 6.286 -11.583 -3.541 1.00 0.33 O ATOM 2480 CB LEU B 40 3.862 -12.439 -1.246 1.00 0.41 C ATOM 2481 CG LEU B 40 3.432 -10.973 -1.433 1.00 0.49 C ATOM 2482 CD1 LEU B 40 4.476 -10.024 -0.860 1.00 1.43 C ATOM 2483 CD2 LEU B 40 3.179 -10.660 -2.899 1.00 1.01 C ATOM 0 H LEU B 40 4.713 -14.723 -1.056 1.00 0.35 H new ATOM 0 HA LEU B 40 4.308 -13.064 -3.255 1.00 0.37 H new ATOM 0 HB2 LEU B 40 2.962 -13.054 -1.225 1.00 0.41 H new ATOM 0 HB3 LEU B 40 4.333 -12.530 -0.267 1.00 0.41 H new ATOM 0 HG LEU B 40 2.499 -10.829 -0.888 1.00 0.49 H new ATOM 0 HD11 LEU B 40 4.150 -8.994 -1.004 1.00 1.43 H new ATOM 0 HD12 LEU B 40 4.600 -10.220 0.205 1.00 1.43 H new ATOM 0 HD13 LEU B 40 5.427 -10.178 -1.370 1.00 1.43 H new ATOM 0 HD21 LEU B 40 2.877 -9.618 -3.002 1.00 1.01 H new ATOM 0 HD22 LEU B 40 4.091 -10.831 -3.470 1.00 1.01 H new ATOM 0 HD23 LEU B 40 2.387 -11.306 -3.278 1.00 1.01 H new ATOM 2495 N VAL B 41 6.906 -12.131 -1.449 1.00 0.33 N ATOM 2496 CA VAL B 41 8.144 -11.375 -1.512 1.00 0.33 C ATOM 2497 C VAL B 41 9.075 -11.959 -2.563 1.00 0.30 C ATOM 2498 O VAL B 41 9.758 -11.240 -3.278 1.00 0.31 O ATOM 2499 CB VAL B 41 8.874 -11.345 -0.154 1.00 0.36 C ATOM 2500 CG1 VAL B 41 10.210 -10.627 -0.283 1.00 0.40 C ATOM 2501 CG2 VAL B 41 8.007 -10.677 0.901 1.00 0.39 C ATOM 0 H VAL B 41 6.747 -12.610 -0.563 1.00 0.33 H new ATOM 0 HA VAL B 41 7.875 -10.353 -1.781 1.00 0.33 H new ATOM 0 HB VAL B 41 9.065 -12.372 0.158 1.00 0.36 H new ATOM 0 HG11 VAL B 41 10.712 -10.615 0.685 1.00 0.40 H new ATOM 0 HG12 VAL B 41 10.834 -11.148 -1.009 1.00 0.40 H new ATOM 0 HG13 VAL B 41 10.042 -9.603 -0.617 1.00 0.40 H new ATOM 0 HG21 VAL B 41 8.537 -10.664 1.853 1.00 0.39 H new ATOM 0 HG22 VAL B 41 7.785 -9.654 0.596 1.00 0.39 H new ATOM 0 HG23 VAL B 41 7.076 -11.233 1.012 1.00 0.39 H new ATOM 2511 N ARG B 42 9.074 -13.272 -2.661 1.00 0.31 N ATOM 2512 CA ARG B 42 9.992 -13.980 -3.526 1.00 0.32 C ATOM 2513 C ARG B 42 9.691 -13.723 -5.001 1.00 0.32 C ATOM 2514 O ARG B 42 10.577 -13.808 -5.848 1.00 0.34 O ATOM 2515 CB ARG B 42 9.964 -15.479 -3.214 1.00 0.40 C ATOM 2516 CG ARG B 42 10.986 -16.299 -3.980 1.00 0.95 C ATOM 2517 CD ARG B 42 11.116 -17.698 -3.399 1.00 1.14 C ATOM 2518 NE ARG B 42 11.770 -17.694 -2.091 1.00 1.66 N ATOM 2519 CZ ARG B 42 11.674 -18.684 -1.200 1.00 2.43 C ATOM 2520 NH1 ARG B 42 10.907 -19.740 -1.448 1.00 2.67 N ATOM 2521 NH2 ARG B 42 12.342 -18.608 -0.056 1.00 3.25 N ATOM 0 H ARG B 42 8.437 -13.877 -2.143 1.00 0.31 H new ATOM 0 HA ARG B 42 10.995 -13.601 -3.332 1.00 0.32 H new ATOM 0 HB2 ARG B 42 10.131 -15.618 -2.146 1.00 0.40 H new ATOM 0 HB3 ARG B 42 8.968 -15.865 -3.434 1.00 0.40 H new ATOM 0 HG2 ARG B 42 10.693 -16.363 -5.028 1.00 0.95 H new ATOM 0 HG3 ARG B 42 11.954 -15.799 -3.950 1.00 0.95 H new ATOM 0 HD2 ARG B 42 10.126 -18.145 -3.307 1.00 1.14 H new ATOM 0 HD3 ARG B 42 11.686 -18.324 -4.086 1.00 1.14 H new ATOM 0 HE ARG B 42 12.336 -16.883 -1.843 1.00 1.66 H new ATOM 0 HH11 ARG B 42 10.387 -19.798 -2.323 1.00 2.67 H new ATOM 0 HH12 ARG B 42 10.838 -20.493 -0.763 1.00 2.67 H new ATOM 0 HH21 ARG B 42 12.926 -17.795 0.140 1.00 3.25 H new ATOM 0 HH22 ARG B 42 12.271 -19.362 0.627 1.00 3.25 H new ATOM 2535 N LYS B 43 8.436 -13.455 -5.322 1.00 0.33 N ATOM 2536 CA LYS B 43 8.044 -13.289 -6.715 1.00 0.37 C ATOM 2537 C LYS B 43 7.958 -11.822 -7.123 1.00 0.29 C ATOM 2538 O LYS B 43 8.563 -11.418 -8.112 1.00 0.41 O ATOM 2539 CB LYS B 43 6.693 -13.962 -6.977 1.00 0.51 C ATOM 2540 CG LYS B 43 6.561 -15.372 -6.413 1.00 0.74 C ATOM 2541 CD LYS B 43 7.027 -16.453 -7.381 1.00 0.70 C ATOM 2542 CE LYS B 43 8.410 -16.988 -7.036 1.00 1.33 C ATOM 2543 NZ LYS B 43 9.503 -16.071 -7.461 1.00 2.33 N ATOM 0 H LYS B 43 7.678 -13.348 -4.648 1.00 0.33 H new ATOM 0 HA LYS B 43 8.820 -13.763 -7.316 1.00 0.37 H new ATOM 0 HB2 LYS B 43 5.905 -13.341 -6.552 1.00 0.51 H new ATOM 0 HB3 LYS B 43 6.524 -13.999 -8.053 1.00 0.51 H new ATOM 0 HG2 LYS B 43 7.140 -15.444 -5.493 1.00 0.74 H new ATOM 0 HG3 LYS B 43 5.519 -15.555 -6.149 1.00 0.74 H new ATOM 0 HD2 LYS B 43 6.311 -17.275 -7.375 1.00 0.70 H new ATOM 0 HD3 LYS B 43 7.039 -16.049 -8.393 1.00 0.70 H new ATOM 0 HE2 LYS B 43 8.475 -17.150 -5.960 1.00 1.33 H new ATOM 0 HE3 LYS B 43 8.549 -17.958 -7.513 1.00 1.33 H new ATOM 0 HZ1 LYS B 43 10.332 -16.629 -7.749 1.00 2.33 H new ATOM 0 HZ2 LYS B 43 9.179 -15.493 -8.262 1.00 2.33 H new ATOM 0 HZ3 LYS B 43 9.763 -15.450 -6.668 1.00 2.33 H new ATOM 2557 N ASP B 44 7.203 -11.026 -6.379 1.00 0.25 N ATOM 2558 CA ASP B 44 6.937 -9.649 -6.793 1.00 0.31 C ATOM 2559 C ASP B 44 7.878 -8.648 -6.144 1.00 0.35 C ATOM 2560 O ASP B 44 8.351 -7.724 -6.797 1.00 0.59 O ATOM 2561 CB ASP B 44 5.490 -9.273 -6.494 1.00 0.44 C ATOM 2562 CG ASP B 44 4.547 -9.717 -7.592 1.00 1.03 C ATOM 2563 OD1 ASP B 44 4.062 -10.867 -7.544 1.00 1.64 O ATOM 2564 OD2 ASP B 44 4.297 -8.916 -8.523 1.00 1.87 O ATOM 0 H ASP B 44 6.768 -11.301 -5.498 1.00 0.25 H new ATOM 0 HA ASP B 44 7.112 -9.606 -7.868 1.00 0.31 H new ATOM 0 HB2 ASP B 44 5.186 -9.726 -5.550 1.00 0.44 H new ATOM 0 HB3 ASP B 44 5.415 -8.193 -6.368 1.00 0.44 H new ATOM 2569 N LEU B 45 8.155 -8.836 -4.867 1.00 0.24 N ATOM 2570 CA LEU B 45 9.036 -7.931 -4.129 1.00 0.25 C ATOM 2571 C LEU B 45 10.483 -8.369 -4.265 1.00 0.26 C ATOM 2572 O LEU B 45 11.383 -7.779 -3.677 1.00 0.29 O ATOM 2573 CB LEU B 45 8.636 -7.846 -2.661 1.00 0.29 C ATOM 2574 CG LEU B 45 7.194 -7.395 -2.413 1.00 0.31 C ATOM 2575 CD1 LEU B 45 6.917 -7.271 -0.926 1.00 0.44 C ATOM 2576 CD2 LEU B 45 6.922 -6.077 -3.119 1.00 0.38 C ATOM 0 H LEU B 45 7.785 -9.608 -4.312 1.00 0.24 H new ATOM 0 HA LEU B 45 8.933 -6.935 -4.561 1.00 0.25 H new ATOM 0 HB2 LEU B 45 8.780 -8.824 -2.203 1.00 0.29 H new ATOM 0 HB3 LEU B 45 9.310 -7.155 -2.155 1.00 0.29 H new ATOM 0 HG LEU B 45 6.523 -8.151 -2.821 1.00 0.31 H new ATOM 0 HD11 LEU B 45 5.887 -6.949 -0.773 1.00 0.44 H new ATOM 0 HD12 LEU B 45 7.070 -8.237 -0.445 1.00 0.44 H new ATOM 0 HD13 LEU B 45 7.595 -6.537 -0.490 1.00 0.44 H new ATOM 0 HD21 LEU B 45 5.893 -5.770 -2.933 1.00 0.38 H new ATOM 0 HD22 LEU B 45 7.602 -5.314 -2.740 1.00 0.38 H new ATOM 0 HD23 LEU B 45 7.076 -6.200 -4.191 1.00 0.38 H new ATOM 2588 N GLN B 46 10.677 -9.430 -5.035 1.00 0.28 N ATOM 2589 CA GLN B 46 11.985 -10.036 -5.271 1.00 0.32 C ATOM 2590 C GLN B 46 13.013 -9.005 -5.732 1.00 0.31 C ATOM 2591 O GLN B 46 14.211 -9.237 -5.645 1.00 0.35 O ATOM 2592 CB GLN B 46 11.851 -11.139 -6.326 1.00 0.38 C ATOM 2593 CG GLN B 46 11.459 -10.613 -7.697 1.00 0.43 C ATOM 2594 CD GLN B 46 11.643 -11.644 -8.792 1.00 0.52 C ATOM 2595 OE1 GLN B 46 11.926 -11.301 -9.939 1.00 1.01 O ATOM 2596 NE2 GLN B 46 11.498 -12.913 -8.447 1.00 1.46 N ATOM 0 H GLN B 46 9.918 -9.905 -5.523 1.00 0.28 H new ATOM 0 HA GLN B 46 12.337 -10.457 -4.329 1.00 0.32 H new ATOM 0 HB2 GLN B 46 12.798 -11.673 -6.406 1.00 0.38 H new ATOM 0 HB3 GLN B 46 11.105 -11.861 -5.994 1.00 0.38 H new ATOM 0 HG2 GLN B 46 10.417 -10.294 -7.675 1.00 0.43 H new ATOM 0 HG3 GLN B 46 12.057 -9.732 -7.929 1.00 0.43 H new ATOM 0 HE21 GLN B 46 11.263 -13.156 -7.485 1.00 1.46 H new ATOM 0 HE22 GLN B 46 11.621 -13.648 -9.143 1.00 1.46 H new ATOM 2605 N ASN B 47 12.528 -7.898 -6.266 1.00 0.30 N ATOM 2606 CA ASN B 47 13.378 -6.840 -6.789 1.00 0.31 C ATOM 2607 C ASN B 47 13.568 -5.722 -5.765 1.00 0.30 C ATOM 2608 O ASN B 47 14.690 -5.325 -5.462 1.00 0.35 O ATOM 2609 CB ASN B 47 12.748 -6.296 -8.072 1.00 0.39 C ATOM 2610 CG ASN B 47 11.232 -6.285 -8.002 1.00 1.33 C ATOM 2611 OD1 ASN B 47 10.641 -6.021 -6.956 1.00 2.14 O ATOM 2612 ND2 ASN B 47 10.591 -6.637 -9.097 1.00 2.14 N ATOM 0 H ASN B 47 11.530 -7.706 -6.350 1.00 0.30 H new ATOM 0 HA ASN B 47 14.366 -7.248 -7.005 1.00 0.31 H new ATOM 0 HB2 ASN B 47 13.110 -5.284 -8.252 1.00 0.39 H new ATOM 0 HB3 ASN B 47 13.067 -6.904 -8.918 1.00 0.39 H new ATOM 0 HD21 ASN B 47 9.573 -6.697 -9.095 1.00 2.14 H new ATOM 0 HD22 ASN B 47 11.113 -6.849 -9.947 1.00 2.14 H new ATOM 2619 N PHE B 48 12.470 -5.250 -5.202 1.00 0.29 N ATOM 2620 CA PHE B 48 12.503 -4.166 -4.233 1.00 0.34 C ATOM 2621 C PHE B 48 13.126 -4.631 -2.930 1.00 0.35 C ATOM 2622 O PHE B 48 13.859 -3.896 -2.271 1.00 0.41 O ATOM 2623 CB PHE B 48 11.085 -3.648 -3.989 1.00 0.36 C ATOM 2624 CG PHE B 48 10.734 -2.427 -4.794 1.00 0.68 C ATOM 2625 CD1 PHE B 48 9.648 -1.642 -4.438 1.00 1.49 C ATOM 2626 CD2 PHE B 48 11.489 -2.058 -5.894 1.00 1.49 C ATOM 2627 CE1 PHE B 48 9.323 -0.515 -5.163 1.00 1.82 C ATOM 2628 CE2 PHE B 48 11.165 -0.933 -6.623 1.00 1.92 C ATOM 2629 CZ PHE B 48 10.083 -0.160 -6.257 1.00 1.73 C ATOM 0 H PHE B 48 11.534 -5.604 -5.401 1.00 0.29 H new ATOM 0 HA PHE B 48 13.115 -3.357 -4.632 1.00 0.34 H new ATOM 0 HB2 PHE B 48 10.374 -4.441 -4.222 1.00 0.36 H new ATOM 0 HB3 PHE B 48 10.970 -3.418 -2.930 1.00 0.36 H new ATOM 0 HD1 PHE B 48 9.049 -1.917 -3.582 1.00 1.49 H new ATOM 0 HD2 PHE B 48 12.340 -2.657 -6.184 1.00 1.49 H new ATOM 0 HE1 PHE B 48 8.475 0.088 -4.874 1.00 1.82 H new ATOM 0 HE2 PHE B 48 11.759 -0.657 -7.482 1.00 1.92 H new ATOM 0 HZ PHE B 48 9.831 0.722 -6.827 1.00 1.73 H new ATOM 2639 N LEU B 49 12.865 -5.870 -2.584 1.00 0.31 N ATOM 2640 CA LEU B 49 13.399 -6.452 -1.377 1.00 0.35 C ATOM 2641 C LEU B 49 14.459 -7.477 -1.728 1.00 0.33 C ATOM 2642 O LEU B 49 14.735 -8.370 -0.949 1.00 0.38 O ATOM 2643 CB LEU B 49 12.277 -7.100 -0.564 1.00 0.35 C ATOM 2644 CG LEU B 49 11.148 -6.152 -0.153 1.00 0.42 C ATOM 2645 CD1 LEU B 49 10.127 -6.879 0.704 1.00 0.44 C ATOM 2646 CD2 LEU B 49 11.706 -4.943 0.582 1.00 0.61 C ATOM 0 H LEU B 49 12.278 -6.501 -3.130 1.00 0.31 H new ATOM 0 HA LEU B 49 13.854 -5.668 -0.772 1.00 0.35 H new ATOM 0 HB2 LEU B 49 11.851 -7.917 -1.147 1.00 0.35 H new ATOM 0 HB3 LEU B 49 12.708 -7.540 0.335 1.00 0.35 H new ATOM 0 HG LEU B 49 10.648 -5.801 -1.055 1.00 0.42 H new ATOM 0 HD11 LEU B 49 9.332 -6.189 0.987 1.00 0.44 H new ATOM 0 HD12 LEU B 49 9.703 -7.709 0.139 1.00 0.44 H new ATOM 0 HD13 LEU B 49 10.612 -7.261 1.602 1.00 0.44 H new ATOM 0 HD21 LEU B 49 10.888 -4.281 0.866 1.00 0.61 H new ATOM 0 HD22 LEU B 49 12.233 -5.273 1.477 1.00 0.61 H new ATOM 0 HD23 LEU B 49 12.397 -4.408 -0.070 1.00 0.61 H new ATOM 2658 N LYS B 50 15.040 -7.345 -2.918 1.00 0.33 N ATOM 2659 CA LYS B 50 16.002 -8.325 -3.433 1.00 0.36 C ATOM 2660 C LYS B 50 17.094 -8.681 -2.415 1.00 0.39 C ATOM 2661 O LYS B 50 17.424 -9.854 -2.250 1.00 0.39 O ATOM 2662 CB LYS B 50 16.627 -7.825 -4.739 1.00 0.47 C ATOM 2663 CG LYS B 50 17.560 -6.641 -4.580 1.00 0.86 C ATOM 2664 CD LYS B 50 17.640 -5.817 -5.856 1.00 1.34 C ATOM 2665 CE LYS B 50 17.816 -6.690 -7.085 1.00 1.52 C ATOM 2666 NZ LYS B 50 17.791 -5.889 -8.336 1.00 2.15 N ATOM 0 H LYS B 50 14.862 -6.564 -3.550 1.00 0.33 H new ATOM 0 HA LYS B 50 15.445 -9.241 -3.627 1.00 0.36 H new ATOM 0 HB2 LYS B 50 17.177 -8.645 -5.200 1.00 0.47 H new ATOM 0 HB3 LYS B 50 15.828 -7.551 -5.427 1.00 0.47 H new ATOM 0 HG2 LYS B 50 17.214 -6.011 -3.761 1.00 0.86 H new ATOM 0 HG3 LYS B 50 18.555 -6.995 -4.311 1.00 0.86 H new ATOM 0 HD2 LYS B 50 16.733 -5.222 -5.961 1.00 1.34 H new ATOM 0 HD3 LYS B 50 18.474 -5.118 -5.785 1.00 1.34 H new ATOM 0 HE2 LYS B 50 18.761 -7.229 -7.017 1.00 1.52 H new ATOM 0 HE3 LYS B 50 17.024 -7.438 -7.116 1.00 1.52 H new ATOM 0 HZ1 LYS B 50 18.081 -6.486 -9.137 1.00 2.15 H new ATOM 0 HZ2 LYS B 50 16.828 -5.533 -8.501 1.00 2.15 H new ATOM 0 HZ3 LYS B 50 18.447 -5.087 -8.248 1.00 2.15 H new ATOM 2680 N LYS B 51 17.633 -7.684 -1.714 1.00 0.45 N ATOM 2681 CA LYS B 51 18.682 -7.942 -0.718 1.00 0.53 C ATOM 2682 C LYS B 51 18.138 -8.832 0.399 1.00 0.48 C ATOM 2683 O LYS B 51 18.830 -9.704 0.926 1.00 0.50 O ATOM 2684 CB LYS B 51 19.242 -6.623 -0.139 1.00 0.67 C ATOM 2685 CG LYS B 51 18.319 -5.890 0.842 1.00 0.91 C ATOM 2686 CD LYS B 51 17.010 -5.444 0.200 1.00 0.99 C ATOM 2687 CE LYS B 51 17.122 -4.109 -0.527 1.00 0.65 C ATOM 2688 NZ LYS B 51 18.356 -3.972 -1.349 1.00 1.25 N ATOM 0 H LYS B 51 17.369 -6.704 -1.812 1.00 0.45 H new ATOM 0 HA LYS B 51 19.503 -8.460 -1.214 1.00 0.53 H new ATOM 0 HB2 LYS B 51 20.183 -6.839 0.367 1.00 0.67 H new ATOM 0 HB3 LYS B 51 19.471 -5.951 -0.966 1.00 0.67 H new ATOM 0 HG2 LYS B 51 18.100 -6.544 1.686 1.00 0.91 H new ATOM 0 HG3 LYS B 51 18.838 -5.019 1.241 1.00 0.91 H new ATOM 0 HD2 LYS B 51 16.680 -6.207 -0.504 1.00 0.99 H new ATOM 0 HD3 LYS B 51 16.243 -5.368 0.970 1.00 0.99 H new ATOM 0 HE2 LYS B 51 16.252 -3.983 -1.171 1.00 0.65 H new ATOM 0 HE3 LYS B 51 17.094 -3.303 0.207 1.00 0.65 H new ATOM 0 HZ1 LYS B 51 18.331 -3.070 -1.866 1.00 1.25 H new ATOM 0 HZ2 LYS B 51 19.190 -3.992 -0.729 1.00 1.25 H new ATOM 0 HZ3 LYS B 51 18.410 -4.758 -2.028 1.00 1.25 H new ATOM 2702 N GLU B 52 16.884 -8.597 0.729 1.00 0.44 N ATOM 2703 CA GLU B 52 16.158 -9.355 1.729 1.00 0.42 C ATOM 2704 C GLU B 52 15.768 -10.721 1.167 1.00 0.38 C ATOM 2705 O GLU B 52 15.744 -11.718 1.881 1.00 0.39 O ATOM 2706 CB GLU B 52 14.931 -8.534 2.119 1.00 0.46 C ATOM 2707 CG GLU B 52 14.117 -9.083 3.267 1.00 1.01 C ATOM 2708 CD GLU B 52 13.175 -8.033 3.806 1.00 1.53 C ATOM 2709 OE1 GLU B 52 13.483 -7.444 4.864 1.00 2.13 O ATOM 2710 OE2 GLU B 52 12.149 -7.755 3.156 1.00 2.12 O ATOM 0 H GLU B 52 16.329 -7.857 0.300 1.00 0.44 H new ATOM 0 HA GLU B 52 16.772 -9.538 2.611 1.00 0.42 H new ATOM 0 HB2 GLU B 52 15.257 -7.527 2.377 1.00 0.46 H new ATOM 0 HB3 GLU B 52 14.283 -8.446 1.247 1.00 0.46 H new ATOM 0 HG2 GLU B 52 13.549 -9.951 2.933 1.00 1.01 H new ATOM 0 HG3 GLU B 52 14.782 -9.423 4.061 1.00 1.01 H new ATOM 2717 N ASN B 53 15.509 -10.742 -0.137 1.00 0.37 N ATOM 2718 CA ASN B 53 15.059 -11.934 -0.856 1.00 0.39 C ATOM 2719 C ASN B 53 16.140 -13.010 -0.870 1.00 0.42 C ATOM 2720 O ASN B 53 15.865 -14.186 -1.115 1.00 0.48 O ATOM 2721 CB ASN B 53 14.679 -11.545 -2.291 1.00 0.46 C ATOM 2722 CG ASN B 53 14.290 -12.726 -3.162 1.00 0.73 C ATOM 2723 OD1 ASN B 53 15.133 -13.330 -3.827 1.00 1.70 O ATOM 2724 ND2 ASN B 53 13.011 -13.060 -3.178 1.00 1.17 N ATOM 0 H ASN B 53 15.607 -9.921 -0.734 1.00 0.37 H new ATOM 0 HA ASN B 53 14.189 -12.345 -0.344 1.00 0.39 H new ATOM 0 HB2 ASN B 53 13.848 -10.840 -2.259 1.00 0.46 H new ATOM 0 HB3 ASN B 53 15.520 -11.027 -2.752 1.00 0.46 H new ATOM 0 HD21 ASN B 53 12.695 -13.840 -3.754 1.00 1.17 H new ATOM 0 HD22 ASN B 53 12.340 -12.537 -2.614 1.00 1.17 H new ATOM 2731 N LYS B 54 17.364 -12.610 -0.573 1.00 0.43 N ATOM 2732 CA LYS B 54 18.489 -13.526 -0.620 1.00 0.49 C ATOM 2733 C LYS B 54 18.544 -14.361 0.656 1.00 0.48 C ATOM 2734 O LYS B 54 19.243 -15.371 0.723 1.00 0.59 O ATOM 2735 CB LYS B 54 19.793 -12.745 -0.810 1.00 0.57 C ATOM 2736 CG LYS B 54 21.014 -13.630 -1.006 1.00 1.15 C ATOM 2737 CD LYS B 54 22.278 -12.810 -1.191 1.00 1.67 C ATOM 2738 CE LYS B 54 23.498 -13.703 -1.364 1.00 2.43 C ATOM 2739 NZ LYS B 54 23.732 -14.572 -0.179 1.00 3.34 N ATOM 0 H LYS B 54 17.604 -11.658 -0.297 1.00 0.43 H new ATOM 0 HA LYS B 54 18.361 -14.201 -1.466 1.00 0.49 H new ATOM 0 HB2 LYS B 54 19.690 -12.088 -1.673 1.00 0.57 H new ATOM 0 HB3 LYS B 54 19.954 -12.107 0.059 1.00 0.57 H new ATOM 0 HG2 LYS B 54 21.129 -14.287 -0.144 1.00 1.15 H new ATOM 0 HG3 LYS B 54 20.864 -14.269 -1.876 1.00 1.15 H new ATOM 0 HD2 LYS B 54 22.171 -12.165 -2.063 1.00 1.67 H new ATOM 0 HD3 LYS B 54 22.421 -12.159 -0.328 1.00 1.67 H new ATOM 0 HE2 LYS B 54 23.367 -14.326 -2.249 1.00 2.43 H new ATOM 0 HE3 LYS B 54 24.378 -13.083 -1.537 1.00 2.43 H new ATOM 0 HZ1 LYS B 54 24.680 -14.996 -0.241 1.00 3.34 H new ATOM 0 HZ2 LYS B 54 23.664 -14.002 0.688 1.00 3.34 H new ATOM 0 HZ3 LYS B 54 23.016 -15.326 -0.155 1.00 3.34 H new ATOM 2753 N ASN B 55 17.784 -13.951 1.660 1.00 0.39 N ATOM 2754 CA ASN B 55 17.704 -14.700 2.904 1.00 0.41 C ATOM 2755 C ASN B 55 16.248 -15.002 3.229 1.00 0.42 C ATOM 2756 O ASN B 55 15.361 -14.202 2.948 1.00 0.45 O ATOM 2757 CB ASN B 55 18.335 -13.903 4.049 1.00 0.42 C ATOM 2758 CG ASN B 55 19.835 -13.695 3.898 1.00 1.02 C ATOM 2759 OD1 ASN B 55 20.375 -12.682 4.340 1.00 1.92 O ATOM 2760 ND2 ASN B 55 20.521 -14.648 3.284 1.00 1.49 N ATOM 0 H ASN B 55 17.215 -13.105 1.638 1.00 0.39 H new ATOM 0 HA ASN B 55 18.251 -15.635 2.786 1.00 0.41 H new ATOM 0 HB2 ASN B 55 17.847 -12.930 4.114 1.00 0.42 H new ATOM 0 HB3 ASN B 55 18.142 -14.420 4.989 1.00 0.42 H new ATOM 0 HD21 ASN B 55 21.530 -14.555 3.166 1.00 1.49 H new ATOM 0 HD22 ASN B 55 20.040 -15.475 2.930 1.00 1.49 H new ATOM 2767 N GLU B 56 16.004 -16.158 3.824 1.00 0.52 N ATOM 2768 CA GLU B 56 14.648 -16.549 4.180 1.00 0.57 C ATOM 2769 C GLU B 56 14.301 -16.061 5.575 1.00 0.49 C ATOM 2770 O GLU B 56 13.159 -15.699 5.850 1.00 0.48 O ATOM 2771 CB GLU B 56 14.484 -18.067 4.110 1.00 0.78 C ATOM 2772 CG GLU B 56 14.686 -18.638 2.715 1.00 1.34 C ATOM 2773 CD GLU B 56 14.175 -20.058 2.586 1.00 1.79 C ATOM 2774 OE1 GLU B 56 13.011 -20.236 2.171 1.00 2.23 O ATOM 2775 OE2 GLU B 56 14.932 -21.002 2.889 1.00 2.46 O ATOM 0 H GLU B 56 16.722 -16.839 4.070 1.00 0.52 H new ATOM 0 HA GLU B 56 13.968 -16.089 3.463 1.00 0.57 H new ATOM 0 HB2 GLU B 56 15.197 -18.533 4.791 1.00 0.78 H new ATOM 0 HB3 GLU B 56 13.487 -18.333 4.461 1.00 0.78 H new ATOM 0 HG2 GLU B 56 14.175 -18.005 1.990 1.00 1.34 H new ATOM 0 HG3 GLU B 56 15.747 -18.614 2.467 1.00 1.34 H new ATOM 2782 N LYS B 57 15.302 -16.032 6.441 1.00 0.48 N ATOM 2783 CA LYS B 57 15.106 -15.685 7.840 1.00 0.46 C ATOM 2784 C LYS B 57 14.697 -14.227 8.006 1.00 0.39 C ATOM 2785 O LYS B 57 13.984 -13.877 8.948 1.00 0.38 O ATOM 2786 CB LYS B 57 16.383 -15.968 8.624 1.00 0.51 C ATOM 2787 CG LYS B 57 16.790 -17.432 8.588 1.00 0.62 C ATOM 2788 CD LYS B 57 18.160 -17.652 9.211 1.00 1.33 C ATOM 2789 CE LYS B 57 18.179 -17.257 10.679 1.00 2.03 C ATOM 2790 NZ LYS B 57 19.516 -17.460 11.295 1.00 2.50 N ATOM 0 H LYS B 57 16.268 -16.247 6.196 1.00 0.48 H new ATOM 0 HA LYS B 57 14.295 -16.299 8.230 1.00 0.46 H new ATOM 0 HB2 LYS B 57 17.193 -15.361 8.219 1.00 0.51 H new ATOM 0 HB3 LYS B 57 16.242 -15.661 9.660 1.00 0.51 H new ATOM 0 HG2 LYS B 57 16.049 -18.029 9.120 1.00 0.62 H new ATOM 0 HG3 LYS B 57 16.800 -17.781 7.556 1.00 0.62 H new ATOM 0 HD2 LYS B 57 18.441 -18.701 9.112 1.00 1.33 H new ATOM 0 HD3 LYS B 57 18.905 -17.070 8.668 1.00 1.33 H new ATOM 0 HE2 LYS B 57 17.891 -16.210 10.776 1.00 2.03 H new ATOM 0 HE3 LYS B 57 17.438 -17.844 11.221 1.00 2.03 H new ATOM 0 HZ1 LYS B 57 19.484 -17.178 12.296 1.00 2.50 H new ATOM 0 HZ2 LYS B 57 19.781 -18.463 11.226 1.00 2.50 H new ATOM 0 HZ3 LYS B 57 20.220 -16.881 10.795 1.00 2.50 H new ATOM 2804 N VAL B 58 15.144 -13.378 7.091 1.00 0.37 N ATOM 2805 CA VAL B 58 14.785 -11.967 7.132 1.00 0.35 C ATOM 2806 C VAL B 58 13.303 -11.806 6.812 1.00 0.34 C ATOM 2807 O VAL B 58 12.583 -11.043 7.462 1.00 0.34 O ATOM 2808 CB VAL B 58 15.627 -11.135 6.139 1.00 0.35 C ATOM 2809 CG1 VAL B 58 15.447 -9.648 6.400 1.00 0.66 C ATOM 2810 CG2 VAL B 58 17.094 -11.519 6.227 1.00 0.62 C ATOM 0 H VAL B 58 15.753 -13.639 6.315 1.00 0.37 H new ATOM 0 HA VAL B 58 14.991 -11.597 8.136 1.00 0.35 H new ATOM 0 HB VAL B 58 15.277 -11.351 5.130 1.00 0.35 H new ATOM 0 HG11 VAL B 58 16.048 -9.079 5.691 1.00 0.66 H new ATOM 0 HG12 VAL B 58 14.397 -9.382 6.281 1.00 0.66 H new ATOM 0 HG13 VAL B 58 15.767 -9.415 7.416 1.00 0.66 H new ATOM 0 HG21 VAL B 58 17.670 -10.922 5.520 1.00 0.62 H new ATOM 0 HG22 VAL B 58 17.458 -11.335 7.238 1.00 0.62 H new ATOM 0 HG23 VAL B 58 17.208 -12.576 5.987 1.00 0.62 H new ATOM 2820 N ILE B 59 12.851 -12.570 5.828 1.00 0.35 N ATOM 2821 CA ILE B 59 11.450 -12.588 5.449 1.00 0.35 C ATOM 2822 C ILE B 59 10.614 -13.195 6.570 1.00 0.35 C ATOM 2823 O ILE B 59 9.506 -12.744 6.843 1.00 0.35 O ATOM 2824 CB ILE B 59 11.236 -13.394 4.155 1.00 0.37 C ATOM 2825 CG1 ILE B 59 12.162 -12.867 3.056 1.00 0.44 C ATOM 2826 CG2 ILE B 59 9.783 -13.318 3.710 1.00 0.37 C ATOM 2827 CD1 ILE B 59 12.176 -13.725 1.811 1.00 1.05 C ATOM 0 H ILE B 59 13.442 -13.190 5.275 1.00 0.35 H new ATOM 0 HA ILE B 59 11.136 -11.559 5.273 1.00 0.35 H new ATOM 0 HB ILE B 59 11.476 -14.439 4.349 1.00 0.37 H new ATOM 0 HG12 ILE B 59 11.854 -11.857 2.787 1.00 0.44 H new ATOM 0 HG13 ILE B 59 13.176 -12.797 3.450 1.00 0.44 H new ATOM 0 HG21 ILE B 59 9.652 -13.894 2.794 1.00 0.37 H new ATOM 0 HG22 ILE B 59 9.142 -13.727 4.490 1.00 0.37 H new ATOM 0 HG23 ILE B 59 9.513 -12.278 3.526 1.00 0.37 H new ATOM 0 HD11 ILE B 59 12.854 -13.290 1.077 1.00 1.05 H new ATOM 0 HD12 ILE B 59 12.513 -14.730 2.065 1.00 1.05 H new ATOM 0 HD13 ILE B 59 11.171 -13.775 1.392 1.00 1.05 H new ATOM 2839 N GLU B 60 11.165 -14.218 7.222 1.00 0.36 N ATOM 2840 CA GLU B 60 10.524 -14.835 8.379 1.00 0.39 C ATOM 2841 C GLU B 60 10.309 -13.813 9.488 1.00 0.36 C ATOM 2842 O GLU B 60 9.317 -13.873 10.217 1.00 0.38 O ATOM 2843 CB GLU B 60 11.355 -16.010 8.902 1.00 0.45 C ATOM 2844 CG GLU B 60 11.364 -17.210 7.971 1.00 0.60 C ATOM 2845 CD GLU B 60 12.200 -18.354 8.503 1.00 1.04 C ATOM 2846 OE1 GLU B 60 13.240 -18.676 7.894 1.00 1.85 O ATOM 2847 OE2 GLU B 60 11.816 -18.946 9.534 1.00 1.69 O ATOM 0 H GLU B 60 12.059 -14.638 6.966 1.00 0.36 H new ATOM 0 HA GLU B 60 9.553 -15.212 8.059 1.00 0.39 H new ATOM 0 HB2 GLU B 60 12.380 -15.677 9.061 1.00 0.45 H new ATOM 0 HB3 GLU B 60 10.965 -16.317 9.873 1.00 0.45 H new ATOM 0 HG2 GLU B 60 10.341 -17.553 7.817 1.00 0.60 H new ATOM 0 HG3 GLU B 60 11.748 -16.907 6.997 1.00 0.60 H new ATOM 2854 N HIS B 61 11.243 -12.880 9.623 1.00 0.36 N ATOM 2855 CA HIS B 61 11.118 -11.831 10.622 1.00 0.37 C ATOM 2856 C HIS B 61 9.899 -10.966 10.324 1.00 0.37 C ATOM 2857 O HIS B 61 9.077 -10.732 11.198 1.00 0.39 O ATOM 2858 CB HIS B 61 12.384 -10.970 10.680 1.00 0.41 C ATOM 2859 CG HIS B 61 12.363 -9.944 11.777 1.00 0.86 C ATOM 2860 ND1 HIS B 61 12.734 -10.224 13.074 1.00 1.01 N ATOM 2861 CD2 HIS B 61 12.006 -8.636 11.764 1.00 1.67 C ATOM 2862 CE1 HIS B 61 12.606 -9.136 13.811 1.00 1.43 C ATOM 2863 NE2 HIS B 61 12.167 -8.160 13.041 1.00 1.87 N ATOM 0 H HIS B 61 12.090 -12.830 9.056 1.00 0.36 H new ATOM 0 HA HIS B 61 10.988 -12.302 11.597 1.00 0.37 H new ATOM 0 HB2 HIS B 61 13.249 -11.619 10.817 1.00 0.41 H new ATOM 0 HB3 HIS B 61 12.514 -10.464 9.723 1.00 0.41 H new ATOM 0 HD2 HIS B 61 11.660 -8.074 10.909 1.00 1.67 H new ATOM 0 HE1 HIS B 61 12.824 -9.059 14.866 1.00 1.43 H new ATOM 0 HE2 HIS B 61 11.978 -7.205 13.345 1.00 1.87 H new ATOM 2872 N ILE B 62 9.772 -10.517 9.081 1.00 0.37 N ATOM 2873 CA ILE B 62 8.626 -9.698 8.681 1.00 0.42 C ATOM 2874 C ILE B 62 7.339 -10.511 8.758 1.00 0.41 C ATOM 2875 O ILE B 62 6.281 -10.007 9.132 1.00 0.46 O ATOM 2876 CB ILE B 62 8.786 -9.167 7.255 1.00 0.48 C ATOM 2877 CG1 ILE B 62 10.127 -8.464 7.098 1.00 0.52 C ATOM 2878 CG2 ILE B 62 7.644 -8.221 6.912 1.00 0.56 C ATOM 2879 CD1 ILE B 62 10.421 -8.081 5.674 1.00 1.18 C ATOM 0 H ILE B 62 10.442 -10.703 8.334 1.00 0.37 H new ATOM 0 HA ILE B 62 8.578 -8.854 9.369 1.00 0.42 H new ATOM 0 HB ILE B 62 8.756 -10.010 6.564 1.00 0.48 H new ATOM 0 HG12 ILE B 62 10.138 -7.569 7.720 1.00 0.52 H new ATOM 0 HG13 ILE B 62 10.919 -9.117 7.465 1.00 0.52 H new ATOM 0 HG21 ILE B 62 7.771 -7.851 5.895 1.00 0.56 H new ATOM 0 HG22 ILE B 62 6.696 -8.753 6.989 1.00 0.56 H new ATOM 0 HG23 ILE B 62 7.646 -7.381 7.606 1.00 0.56 H new ATOM 0 HD11 ILE B 62 11.390 -7.584 5.624 1.00 1.18 H new ATOM 0 HD12 ILE B 62 10.440 -8.977 5.053 1.00 1.18 H new ATOM 0 HD13 ILE B 62 9.647 -7.405 5.312 1.00 1.18 H new ATOM 2891 N MET B 63 7.492 -11.776 8.449 1.00 0.37 N ATOM 2892 CA MET B 63 6.421 -12.721 8.533 1.00 0.41 C ATOM 2893 C MET B 63 5.780 -12.676 9.916 1.00 0.45 C ATOM 2894 O MET B 63 4.567 -12.525 10.010 1.00 0.59 O ATOM 2895 CB MET B 63 6.950 -14.124 8.221 1.00 0.43 C ATOM 2896 CG MET B 63 5.927 -15.095 7.643 1.00 0.65 C ATOM 2897 SD MET B 63 4.599 -15.537 8.782 1.00 1.05 S ATOM 2898 CE MET B 63 3.269 -14.477 8.206 1.00 0.60 C ATOM 0 H MET B 63 8.375 -12.176 8.130 1.00 0.37 H new ATOM 0 HA MET B 63 5.656 -12.464 7.801 1.00 0.41 H new ATOM 0 HB2 MET B 63 7.778 -14.034 7.518 1.00 0.43 H new ATOM 0 HB3 MET B 63 7.356 -14.553 9.137 1.00 0.43 H new ATOM 0 HG2 MET B 63 5.490 -14.654 6.747 1.00 0.65 H new ATOM 0 HG3 MET B 63 6.441 -16.004 7.332 1.00 0.65 H new ATOM 0 HE1 MET B 63 2.781 -14.009 9.061 1.00 0.60 H new ATOM 0 HE2 MET B 63 3.676 -13.705 7.553 1.00 0.60 H new ATOM 0 HE3 MET B 63 2.542 -15.073 7.654 1.00 0.60 H new ATOM 2908 N GLU B 64 6.549 -12.760 11.013 1.00 0.43 N ATOM 2909 CA GLU B 64 5.840 -12.994 12.251 1.00 0.46 C ATOM 2910 C GLU B 64 5.942 -11.771 13.160 1.00 0.48 C ATOM 2911 O GLU B 64 5.060 -11.533 13.979 1.00 0.51 O ATOM 2912 CB GLU B 64 6.436 -14.225 12.933 1.00 0.57 C ATOM 2913 CG GLU B 64 5.718 -14.654 14.197 1.00 1.17 C ATOM 2914 CD GLU B 64 6.424 -15.803 14.886 1.00 1.69 C ATOM 2915 OE1 GLU B 64 6.422 -16.925 14.337 1.00 2.36 O ATOM 2916 OE2 GLU B 64 6.996 -15.589 15.975 1.00 2.13 O ATOM 0 H GLU B 64 7.564 -12.677 11.062 1.00 0.43 H new ATOM 0 HA GLU B 64 4.784 -13.169 12.045 1.00 0.46 H new ATOM 0 HB2 GLU B 64 6.428 -15.055 12.227 1.00 0.57 H new ATOM 0 HB3 GLU B 64 7.479 -14.021 13.174 1.00 0.57 H new ATOM 0 HG2 GLU B 64 5.650 -13.808 14.881 1.00 1.17 H new ATOM 0 HG3 GLU B 64 4.698 -14.949 13.952 1.00 1.17 H new ATOM 2923 N ASP B 65 7.019 -11.010 13.047 1.00 0.49 N ATOM 2924 CA ASP B 65 7.107 -9.741 13.767 1.00 0.55 C ATOM 2925 C ASP B 65 5.957 -8.796 13.376 1.00 0.52 C ATOM 2926 O ASP B 65 5.409 -8.105 14.231 1.00 0.58 O ATOM 2927 CB ASP B 65 8.452 -9.054 13.519 1.00 0.60 C ATOM 2928 CG ASP B 65 8.566 -7.724 14.236 1.00 1.29 C ATOM 2929 OD1 ASP B 65 8.790 -7.725 15.464 1.00 1.88 O ATOM 2930 OD2 ASP B 65 8.445 -6.671 13.574 1.00 1.93 O ATOM 0 H ASP B 65 7.833 -11.239 12.476 1.00 0.49 H new ATOM 0 HA ASP B 65 7.024 -9.969 14.830 1.00 0.55 H new ATOM 0 HB2 ASP B 65 9.258 -9.710 13.848 1.00 0.60 H new ATOM 0 HB3 ASP B 65 8.585 -8.898 12.448 1.00 0.60 H new ATOM 2935 N LEU B 66 5.589 -8.764 12.087 1.00 0.47 N ATOM 2936 CA LEU B 66 4.457 -7.942 11.640 1.00 0.50 C ATOM 2937 C LEU B 66 3.130 -8.599 11.984 1.00 0.52 C ATOM 2938 O LEU B 66 2.077 -7.963 11.930 1.00 0.64 O ATOM 2939 CB LEU B 66 4.508 -7.694 10.134 1.00 0.47 C ATOM 2940 CG LEU B 66 5.408 -6.547 9.684 1.00 0.54 C ATOM 2941 CD1 LEU B 66 6.868 -6.858 9.941 1.00 1.26 C ATOM 2942 CD2 LEU B 66 5.158 -6.236 8.220 1.00 1.25 C ATOM 0 H LEU B 66 6.052 -9.290 11.346 1.00 0.47 H new ATOM 0 HA LEU B 66 4.536 -6.989 12.163 1.00 0.50 H new ATOM 0 HB2 LEU B 66 4.843 -8.608 9.645 1.00 0.47 H new ATOM 0 HB3 LEU B 66 3.495 -7.497 9.782 1.00 0.47 H new ATOM 0 HG LEU B 66 5.162 -5.663 10.272 1.00 0.54 H new ATOM 0 HD11 LEU B 66 7.482 -6.021 9.609 1.00 1.26 H new ATOM 0 HD12 LEU B 66 7.023 -7.021 11.007 1.00 1.26 H new ATOM 0 HD13 LEU B 66 7.151 -7.756 9.392 1.00 1.26 H new ATOM 0 HD21 LEU B 66 5.804 -5.416 7.907 1.00 1.25 H new ATOM 0 HD22 LEU B 66 5.374 -7.119 7.618 1.00 1.25 H new ATOM 0 HD23 LEU B 66 4.116 -5.949 8.082 1.00 1.25 H new ATOM 2954 N ASP B 67 3.196 -9.878 12.305 1.00 0.48 N ATOM 2955 CA ASP B 67 2.038 -10.644 12.733 1.00 0.56 C ATOM 2956 C ASP B 67 1.570 -10.159 14.107 1.00 0.63 C ATOM 2957 O ASP B 67 1.858 -10.754 15.149 1.00 0.60 O ATOM 2958 CB ASP B 67 2.405 -12.133 12.727 1.00 0.55 C ATOM 2959 CG ASP B 67 1.413 -13.029 13.426 1.00 0.69 C ATOM 2960 OD1 ASP B 67 0.207 -12.978 13.109 1.00 1.27 O ATOM 2961 OD2 ASP B 67 1.850 -13.825 14.284 1.00 1.40 O ATOM 0 H ASP B 67 4.060 -10.419 12.276 1.00 0.48 H new ATOM 0 HA ASP B 67 1.203 -10.499 12.048 1.00 0.56 H new ATOM 0 HB2 ASP B 67 2.508 -12.464 11.694 1.00 0.55 H new ATOM 0 HB3 ASP B 67 3.380 -12.255 13.199 1.00 0.55 H new ATOM 2966 N THR B 68 0.876 -9.033 14.077 1.00 0.84 N ATOM 2967 CA THR B 68 0.339 -8.383 15.262 1.00 1.02 C ATOM 2968 C THR B 68 -0.790 -9.199 15.877 1.00 1.00 C ATOM 2969 O THR B 68 -1.026 -9.154 17.088 1.00 1.05 O ATOM 2970 CB THR B 68 -0.191 -6.980 14.913 1.00 1.39 C ATOM 2971 OG1 THR B 68 -1.178 -7.061 13.875 1.00 1.75 O ATOM 2972 CG2 THR B 68 0.940 -6.083 14.453 1.00 1.98 C ATOM 0 H THR B 68 0.666 -8.535 13.212 1.00 0.84 H new ATOM 0 HA THR B 68 1.151 -8.302 15.985 1.00 1.02 H new ATOM 0 HB THR B 68 -0.643 -6.559 15.811 1.00 1.39 H new ATOM 0 HG1 THR B 68 -1.195 -7.971 13.510 1.00 1.75 H new ATOM 0 HG21 THR B 68 0.546 -5.096 14.211 1.00 1.98 H new ATOM 0 HG22 THR B 68 1.680 -5.993 15.248 1.00 1.98 H new ATOM 0 HG23 THR B 68 1.409 -6.514 13.568 1.00 1.98 H new ATOM 2980 N ASN B 69 -1.475 -9.953 15.036 1.00 1.02 N ATOM 2981 CA ASN B 69 -2.572 -10.798 15.495 1.00 1.11 C ATOM 2982 C ASN B 69 -2.025 -12.139 15.961 1.00 1.02 C ATOM 2983 O ASN B 69 -2.771 -13.012 16.408 1.00 1.12 O ATOM 2984 CB ASN B 69 -3.604 -10.993 14.382 1.00 1.28 C ATOM 2985 CG ASN B 69 -4.302 -9.702 13.994 1.00 1.74 C ATOM 2986 OD1 ASN B 69 -4.540 -8.830 14.832 1.00 2.25 O ATOM 2987 ND2 ASN B 69 -4.622 -9.563 12.718 1.00 2.24 N ATOM 0 H ASN B 69 -1.295 -10.000 14.033 1.00 1.02 H new ATOM 0 HA ASN B 69 -3.070 -10.309 16.332 1.00 1.11 H new ATOM 0 HB2 ASN B 69 -3.111 -11.412 13.505 1.00 1.28 H new ATOM 0 HB3 ASN B 69 -4.349 -11.720 14.706 1.00 1.28 H new ATOM 0 HD21 ASN B 69 -5.082 -8.711 12.398 1.00 2.24 H new ATOM 0 HD22 ASN B 69 -4.408 -10.308 12.055 1.00 2.24 H new ATOM 2994 N ALA B 70 -0.707 -12.272 15.844 1.00 0.88 N ATOM 2995 CA ALA B 70 0.058 -13.347 16.472 1.00 0.92 C ATOM 2996 C ALA B 70 -0.419 -14.744 16.079 1.00 0.99 C ATOM 2997 O ALA B 70 -0.473 -15.649 16.914 1.00 1.14 O ATOM 2998 CB ALA B 70 0.045 -13.175 17.979 1.00 1.06 C ATOM 0 H ALA B 70 -0.131 -11.627 15.303 1.00 0.88 H new ATOM 0 HA ALA B 70 1.080 -13.268 16.101 1.00 0.92 H new ATOM 0 HB1 ALA B 70 0.617 -13.979 18.442 1.00 1.06 H new ATOM 0 HB2 ALA B 70 0.492 -12.216 18.240 1.00 1.06 H new ATOM 0 HB3 ALA B 70 -0.983 -13.206 18.340 1.00 1.06 H new ATOM 3004 N ASP B 71 -0.735 -14.932 14.809 1.00 0.90 N ATOM 3005 CA ASP B 71 -1.151 -16.241 14.328 1.00 0.99 C ATOM 3006 C ASP B 71 -0.165 -16.772 13.291 1.00 0.89 C ATOM 3007 O ASP B 71 -0.434 -17.768 12.624 1.00 0.92 O ATOM 3008 CB ASP B 71 -2.562 -16.182 13.742 1.00 1.10 C ATOM 3009 CG ASP B 71 -3.238 -17.539 13.733 1.00 1.33 C ATOM 3010 OD1 ASP B 71 -3.760 -17.949 14.792 1.00 1.95 O ATOM 3011 OD2 ASP B 71 -3.262 -18.200 12.677 1.00 1.94 O ATOM 0 H ASP B 71 -0.712 -14.202 14.097 1.00 0.90 H new ATOM 0 HA ASP B 71 -1.161 -16.925 15.177 1.00 0.99 H new ATOM 0 HB2 ASP B 71 -3.165 -15.482 14.321 1.00 1.10 H new ATOM 0 HB3 ASP B 71 -2.514 -15.795 12.724 1.00 1.10 H new ATOM 3016 N LYS B 72 0.982 -16.100 13.171 1.00 0.81 N ATOM 3017 CA LYS B 72 1.995 -16.444 12.169 1.00 0.77 C ATOM 3018 C LYS B 72 1.414 -16.229 10.792 1.00 0.67 C ATOM 3019 O LYS B 72 1.657 -16.994 9.857 1.00 0.69 O ATOM 3020 CB LYS B 72 2.492 -17.887 12.316 1.00 0.91 C ATOM 3021 CG LYS B 72 3.494 -18.112 13.440 1.00 1.08 C ATOM 3022 CD LYS B 72 2.847 -18.147 14.819 1.00 1.33 C ATOM 3023 CE LYS B 72 2.869 -16.785 15.494 1.00 1.21 C ATOM 3024 NZ LYS B 72 2.213 -16.813 16.828 1.00 1.64 N ATOM 0 H LYS B 72 1.234 -15.307 13.761 1.00 0.81 H new ATOM 0 HA LYS B 72 2.858 -15.796 12.321 1.00 0.77 H new ATOM 0 HB2 LYS B 72 1.632 -18.536 12.481 1.00 0.91 H new ATOM 0 HB3 LYS B 72 2.949 -18.195 11.376 1.00 0.91 H new ATOM 0 HG2 LYS B 72 4.019 -19.051 13.268 1.00 1.08 H new ATOM 0 HG3 LYS B 72 4.242 -17.319 13.416 1.00 1.08 H new ATOM 0 HD2 LYS B 72 1.816 -18.489 14.727 1.00 1.33 H new ATOM 0 HD3 LYS B 72 3.368 -18.871 15.446 1.00 1.33 H new ATOM 0 HE2 LYS B 72 3.901 -16.452 15.605 1.00 1.21 H new ATOM 0 HE3 LYS B 72 2.366 -16.057 14.858 1.00 1.21 H new ATOM 0 HZ1 LYS B 72 2.665 -16.115 17.452 1.00 1.64 H new ATOM 0 HZ2 LYS B 72 1.204 -16.582 16.724 1.00 1.64 H new ATOM 0 HZ3 LYS B 72 2.310 -17.762 17.243 1.00 1.64 H new ATOM 3038 N GLN B 73 0.640 -15.175 10.697 1.00 0.61 N ATOM 3039 CA GLN B 73 -0.080 -14.839 9.497 1.00 0.56 C ATOM 3040 C GLN B 73 -0.079 -13.330 9.340 1.00 0.54 C ATOM 3041 O GLN B 73 0.262 -12.618 10.277 1.00 0.60 O ATOM 3042 CB GLN B 73 -1.509 -15.370 9.592 1.00 0.62 C ATOM 3043 CG GLN B 73 -1.625 -16.882 9.493 1.00 0.63 C ATOM 3044 CD GLN B 73 -3.067 -17.356 9.445 1.00 0.69 C ATOM 3045 OE1 GLN B 73 -3.375 -18.390 8.851 1.00 1.03 O ATOM 3046 NE2 GLN B 73 -3.962 -16.601 10.065 1.00 1.59 N ATOM 0 H GLN B 73 0.492 -14.518 11.463 1.00 0.61 H new ATOM 0 HA GLN B 73 0.397 -15.292 8.628 1.00 0.56 H new ATOM 0 HB2 GLN B 73 -1.942 -15.046 10.538 1.00 0.62 H new ATOM 0 HB3 GLN B 73 -2.105 -14.919 8.798 1.00 0.62 H new ATOM 0 HG2 GLN B 73 -1.104 -17.225 8.599 1.00 0.63 H new ATOM 0 HG3 GLN B 73 -1.125 -17.338 10.348 1.00 0.63 H new ATOM 0 HE21 GLN B 73 -3.667 -15.751 10.546 1.00 1.59 H new ATOM 0 HE22 GLN B 73 -4.946 -16.869 10.061 1.00 1.59 H new ATOM 3055 N LEU B 74 -0.447 -12.836 8.173 1.00 0.53 N ATOM 3056 CA LEU B 74 -0.467 -11.401 7.956 1.00 0.53 C ATOM 3057 C LEU B 74 -1.792 -10.973 7.371 1.00 0.51 C ATOM 3058 O LEU B 74 -2.124 -11.307 6.237 1.00 0.54 O ATOM 3059 CB LEU B 74 0.673 -10.955 7.037 1.00 0.56 C ATOM 3060 CG LEU B 74 2.081 -11.146 7.600 1.00 0.62 C ATOM 3061 CD1 LEU B 74 3.113 -10.537 6.669 1.00 0.60 C ATOM 3062 CD2 LEU B 74 2.194 -10.535 8.991 1.00 0.70 C ATOM 0 H LEU B 74 -0.732 -13.397 7.371 1.00 0.53 H new ATOM 0 HA LEU B 74 -0.330 -10.922 8.926 1.00 0.53 H new ATOM 0 HB2 LEU B 74 0.597 -11.505 6.099 1.00 0.56 H new ATOM 0 HB3 LEU B 74 0.535 -9.900 6.800 1.00 0.56 H new ATOM 0 HG LEU B 74 2.274 -12.216 7.679 1.00 0.62 H new ATOM 0 HD11 LEU B 74 4.110 -10.682 7.086 1.00 0.60 H new ATOM 0 HD12 LEU B 74 3.053 -11.020 5.694 1.00 0.60 H new ATOM 0 HD13 LEU B 74 2.918 -9.470 6.558 1.00 0.60 H new ATOM 0 HD21 LEU B 74 3.204 -10.683 9.372 1.00 0.70 H new ATOM 0 HD22 LEU B 74 1.978 -9.468 8.938 1.00 0.70 H new ATOM 0 HD23 LEU B 74 1.480 -11.017 9.659 1.00 0.70 H new ATOM 3074 N SER B 75 -2.530 -10.223 8.153 1.00 0.52 N ATOM 3075 CA SER B 75 -3.781 -9.662 7.716 1.00 0.54 C ATOM 3076 C SER B 75 -3.504 -8.483 6.800 1.00 0.46 C ATOM 3077 O SER B 75 -2.356 -8.045 6.685 1.00 0.44 O ATOM 3078 CB SER B 75 -4.599 -9.217 8.933 1.00 0.64 C ATOM 3079 OG SER B 75 -5.898 -8.778 8.566 1.00 1.41 O ATOM 0 H SER B 75 -2.278 -9.985 9.112 1.00 0.52 H new ATOM 0 HA SER B 75 -4.354 -10.411 7.169 1.00 0.54 H new ATOM 0 HB2 SER B 75 -4.681 -10.045 9.638 1.00 0.64 H new ATOM 0 HB3 SER B 75 -4.075 -8.411 9.447 1.00 0.64 H new ATOM 0 HG SER B 75 -6.390 -8.504 9.368 1.00 1.41 H new ATOM 3085 N PHE B 76 -4.539 -7.977 6.155 1.00 0.53 N ATOM 3086 CA PHE B 76 -4.398 -6.835 5.252 1.00 0.54 C ATOM 3087 C PHE B 76 -3.623 -5.696 5.919 1.00 0.43 C ATOM 3088 O PHE B 76 -2.717 -5.123 5.320 1.00 0.42 O ATOM 3089 CB PHE B 76 -5.773 -6.331 4.803 1.00 0.67 C ATOM 3090 CG PHE B 76 -6.796 -7.422 4.638 1.00 1.35 C ATOM 3091 CD1 PHE B 76 -6.692 -8.343 3.609 1.00 2.10 C ATOM 3092 CD2 PHE B 76 -7.865 -7.522 5.515 1.00 2.14 C ATOM 3093 CE1 PHE B 76 -7.633 -9.344 3.459 1.00 2.85 C ATOM 3094 CE2 PHE B 76 -8.808 -8.521 5.370 1.00 2.90 C ATOM 3095 CZ PHE B 76 -8.692 -9.433 4.340 1.00 3.06 C ATOM 0 H PHE B 76 -5.491 -8.335 6.236 1.00 0.53 H new ATOM 0 HA PHE B 76 -3.838 -7.171 4.379 1.00 0.54 H new ATOM 0 HB2 PHE B 76 -6.140 -5.609 5.532 1.00 0.67 H new ATOM 0 HB3 PHE B 76 -5.664 -5.802 3.856 1.00 0.67 H new ATOM 0 HD1 PHE B 76 -5.866 -8.278 2.916 1.00 2.10 H new ATOM 0 HD2 PHE B 76 -7.962 -6.810 6.321 1.00 2.14 H new ATOM 0 HE1 PHE B 76 -7.540 -10.056 2.653 1.00 2.85 H new ATOM 0 HE2 PHE B 76 -9.635 -8.589 6.061 1.00 2.90 H new ATOM 0 HZ PHE B 76 -9.428 -10.214 4.224 1.00 3.06 H new ATOM 3105 N GLU B 77 -3.959 -5.403 7.170 1.00 0.40 N ATOM 3106 CA GLU B 77 -3.308 -4.324 7.912 1.00 0.35 C ATOM 3107 C GLU B 77 -1.844 -4.649 8.219 1.00 0.30 C ATOM 3108 O GLU B 77 -0.990 -3.762 8.240 1.00 0.29 O ATOM 3109 CB GLU B 77 -4.063 -4.056 9.213 1.00 0.45 C ATOM 3110 CG GLU B 77 -5.500 -3.613 9.001 1.00 0.59 C ATOM 3111 CD GLU B 77 -6.268 -3.507 10.299 1.00 1.38 C ATOM 3112 OE1 GLU B 77 -6.384 -2.388 10.837 1.00 2.04 O ATOM 3113 OE2 GLU B 77 -6.749 -4.551 10.795 1.00 2.01 O ATOM 0 H GLU B 77 -4.680 -5.898 7.695 1.00 0.40 H new ATOM 0 HA GLU B 77 -3.328 -3.432 7.285 1.00 0.35 H new ATOM 0 HB2 GLU B 77 -4.056 -4.961 9.820 1.00 0.45 H new ATOM 0 HB3 GLU B 77 -3.535 -3.289 9.779 1.00 0.45 H new ATOM 0 HG2 GLU B 77 -5.509 -2.647 8.497 1.00 0.59 H new ATOM 0 HG3 GLU B 77 -6.002 -4.321 8.342 1.00 0.59 H new ATOM 3120 N GLU B 78 -1.557 -5.922 8.443 1.00 0.36 N ATOM 3121 CA GLU B 78 -0.220 -6.347 8.817 1.00 0.40 C ATOM 3122 C GLU B 78 0.703 -6.345 7.592 1.00 0.32 C ATOM 3123 O GLU B 78 1.808 -5.783 7.620 1.00 0.32 O ATOM 3124 CB GLU B 78 -0.302 -7.726 9.487 1.00 0.57 C ATOM 3125 CG GLU B 78 -1.368 -7.763 10.578 1.00 1.65 C ATOM 3126 CD GLU B 78 -1.507 -9.110 11.264 1.00 2.54 C ATOM 3127 OE1 GLU B 78 -1.138 -9.213 12.444 1.00 3.17 O ATOM 3128 OE2 GLU B 78 -2.016 -10.056 10.641 1.00 3.18 O ATOM 0 H GLU B 78 -2.236 -6.680 8.372 1.00 0.36 H new ATOM 0 HA GLU B 78 0.211 -5.648 9.534 1.00 0.40 H new ATOM 0 HB2 GLU B 78 -0.525 -8.483 8.735 1.00 0.57 H new ATOM 0 HB3 GLU B 78 0.667 -7.980 9.917 1.00 0.57 H new ATOM 0 HG2 GLU B 78 -1.131 -7.008 11.328 1.00 1.65 H new ATOM 0 HG3 GLU B 78 -2.329 -7.489 10.142 1.00 1.65 H new ATOM 3135 N PHE B 79 0.248 -6.917 6.486 1.00 0.34 N ATOM 3136 CA PHE B 79 1.075 -6.900 5.296 1.00 0.39 C ATOM 3137 C PHE B 79 1.140 -5.491 4.708 1.00 0.33 C ATOM 3138 O PHE B 79 2.121 -5.130 4.067 1.00 0.40 O ATOM 3139 CB PHE B 79 0.664 -7.957 4.243 1.00 0.53 C ATOM 3140 CG PHE B 79 -0.649 -7.752 3.524 1.00 1.13 C ATOM 3141 CD1 PHE B 79 -1.680 -8.665 3.680 1.00 2.04 C ATOM 3142 CD2 PHE B 79 -0.838 -6.682 2.662 1.00 1.95 C ATOM 3143 CE1 PHE B 79 -2.872 -8.514 2.996 1.00 2.94 C ATOM 3144 CE2 PHE B 79 -2.030 -6.521 1.982 1.00 2.78 C ATOM 3145 CZ PHE B 79 -3.047 -7.439 2.146 1.00 3.12 C ATOM 0 H PHE B 79 -0.655 -7.381 6.390 1.00 0.34 H new ATOM 0 HA PHE B 79 2.080 -7.188 5.605 1.00 0.39 H new ATOM 0 HB2 PHE B 79 1.453 -8.009 3.493 1.00 0.53 H new ATOM 0 HB3 PHE B 79 0.629 -8.928 4.737 1.00 0.53 H new ATOM 0 HD1 PHE B 79 -1.550 -9.506 4.345 1.00 2.04 H new ATOM 0 HD2 PHE B 79 -0.043 -5.965 2.520 1.00 1.95 H new ATOM 0 HE1 PHE B 79 -3.665 -9.235 3.126 1.00 2.94 H new ATOM 0 HE2 PHE B 79 -2.166 -5.677 1.322 1.00 2.78 H new ATOM 0 HZ PHE B 79 -3.977 -7.317 1.611 1.00 3.12 H new ATOM 3155 N ILE B 80 0.112 -4.677 4.945 1.00 0.27 N ATOM 3156 CA ILE B 80 0.114 -3.322 4.413 1.00 0.33 C ATOM 3157 C ILE B 80 1.229 -2.486 5.058 1.00 0.29 C ATOM 3158 O ILE B 80 1.891 -1.712 4.373 1.00 0.34 O ATOM 3159 CB ILE B 80 -1.253 -2.601 4.566 1.00 0.42 C ATOM 3160 CG1 ILE B 80 -1.462 -1.626 3.412 1.00 1.14 C ATOM 3161 CG2 ILE B 80 -1.344 -1.857 5.888 1.00 0.96 C ATOM 3162 CD1 ILE B 80 -1.709 -2.299 2.079 1.00 2.00 C ATOM 0 H ILE B 80 -0.713 -4.927 5.489 1.00 0.27 H new ATOM 0 HA ILE B 80 0.302 -3.416 3.343 1.00 0.33 H new ATOM 0 HB ILE B 80 -2.034 -3.361 4.549 1.00 0.42 H new ATOM 0 HG12 ILE B 80 -2.308 -0.979 3.644 1.00 1.14 H new ATOM 0 HG13 ILE B 80 -0.585 -0.985 3.327 1.00 1.14 H new ATOM 0 HG21 ILE B 80 -2.313 -1.364 5.962 1.00 0.96 H new ATOM 0 HG22 ILE B 80 -1.232 -2.563 6.711 1.00 0.96 H new ATOM 0 HG23 ILE B 80 -0.552 -1.110 5.940 1.00 0.96 H new ATOM 0 HD11 ILE B 80 -1.848 -1.540 1.309 1.00 2.00 H new ATOM 0 HD12 ILE B 80 -0.853 -2.924 1.823 1.00 2.00 H new ATOM 0 HD13 ILE B 80 -2.604 -2.918 2.144 1.00 2.00 H new ATOM 3174 N MET B 81 1.450 -2.643 6.371 1.00 0.25 N ATOM 3175 CA MET B 81 2.561 -1.952 7.026 1.00 0.30 C ATOM 3176 C MET B 81 3.890 -2.438 6.470 1.00 0.28 C ATOM 3177 O MET B 81 4.872 -1.702 6.487 1.00 0.31 O ATOM 3178 CB MET B 81 2.541 -2.089 8.556 1.00 0.37 C ATOM 3179 CG MET B 81 2.729 -3.502 9.075 1.00 1.12 C ATOM 3180 SD MET B 81 2.675 -3.605 10.876 1.00 2.01 S ATOM 3181 CE MET B 81 0.997 -3.066 11.205 1.00 1.87 C ATOM 0 H MET B 81 0.886 -3.230 6.986 1.00 0.25 H new ATOM 0 HA MET B 81 2.438 -0.891 6.806 1.00 0.30 H new ATOM 0 HB2 MET B 81 3.326 -1.457 8.973 1.00 0.37 H new ATOM 0 HB3 MET B 81 1.591 -1.705 8.928 1.00 0.37 H new ATOM 0 HG2 MET B 81 1.953 -4.143 8.657 1.00 1.12 H new ATOM 0 HG3 MET B 81 3.686 -3.888 8.723 1.00 1.12 H new ATOM 0 HE1 MET B 81 0.707 -3.372 12.210 1.00 1.87 H new ATOM 0 HE2 MET B 81 0.942 -1.980 11.126 1.00 1.87 H new ATOM 0 HE3 MET B 81 0.321 -3.518 10.479 1.00 1.87 H new ATOM 3191 N LEU B 82 3.919 -3.668 5.959 1.00 0.27 N ATOM 3192 CA LEU B 82 5.095 -4.152 5.232 1.00 0.33 C ATOM 3193 C LEU B 82 5.375 -3.222 4.054 1.00 0.34 C ATOM 3194 O LEU B 82 6.517 -2.834 3.808 1.00 0.38 O ATOM 3195 CB LEU B 82 4.891 -5.603 4.753 1.00 0.37 C ATOM 3196 CG LEU B 82 6.043 -6.244 3.951 1.00 0.52 C ATOM 3197 CD1 LEU B 82 5.930 -5.920 2.468 1.00 1.30 C ATOM 3198 CD2 LEU B 82 7.398 -5.795 4.486 1.00 1.38 C ATOM 0 H LEU B 82 3.155 -4.340 6.032 1.00 0.27 H new ATOM 0 HA LEU B 82 5.955 -4.150 5.902 1.00 0.33 H new ATOM 0 HB2 LEU B 82 4.700 -6.225 5.628 1.00 0.37 H new ATOM 0 HB3 LEU B 82 3.992 -5.633 4.138 1.00 0.37 H new ATOM 0 HG LEU B 82 5.963 -7.324 4.072 1.00 0.52 H new ATOM 0 HD11 LEU B 82 6.756 -6.386 1.930 1.00 1.30 H new ATOM 0 HD12 LEU B 82 4.985 -6.302 2.083 1.00 1.30 H new ATOM 0 HD13 LEU B 82 5.969 -4.840 2.328 1.00 1.30 H new ATOM 0 HD21 LEU B 82 8.192 -6.261 3.903 1.00 1.38 H new ATOM 0 HD22 LEU B 82 7.479 -4.711 4.407 1.00 1.38 H new ATOM 0 HD23 LEU B 82 7.493 -6.091 5.531 1.00 1.38 H new ATOM 3210 N MET B 83 4.318 -2.840 3.353 1.00 0.32 N ATOM 3211 CA MET B 83 4.439 -1.919 2.231 1.00 0.34 C ATOM 3212 C MET B 83 4.944 -0.554 2.684 1.00 0.31 C ATOM 3213 O MET B 83 5.538 0.179 1.900 1.00 0.35 O ATOM 3214 CB MET B 83 3.106 -1.769 1.499 1.00 0.39 C ATOM 3215 CG MET B 83 3.091 -2.454 0.146 1.00 0.59 C ATOM 3216 SD MET B 83 3.427 -4.215 0.251 1.00 0.85 S ATOM 3217 CE MET B 83 1.994 -4.757 1.168 1.00 0.91 C ATOM 0 H MET B 83 3.366 -3.153 3.541 1.00 0.32 H new ATOM 0 HA MET B 83 5.170 -2.342 1.542 1.00 0.34 H new ATOM 0 HB2 MET B 83 2.310 -2.182 2.118 1.00 0.39 H new ATOM 0 HB3 MET B 83 2.889 -0.709 1.366 1.00 0.39 H new ATOM 0 HG2 MET B 83 2.118 -2.302 -0.322 1.00 0.59 H new ATOM 0 HG3 MET B 83 3.833 -1.986 -0.501 1.00 0.59 H new ATOM 0 HE1 MET B 83 2.205 -5.717 1.639 1.00 0.91 H new ATOM 0 HE2 MET B 83 1.754 -4.021 1.936 1.00 0.91 H new ATOM 0 HE3 MET B 83 1.147 -4.864 0.490 1.00 0.91 H new ATOM 3227 N ALA B 84 4.719 -0.214 3.950 1.00 0.29 N ATOM 3228 CA ALA B 84 5.222 1.050 4.490 1.00 0.30 C ATOM 3229 C ALA B 84 6.708 0.955 4.770 1.00 0.33 C ATOM 3230 O ALA B 84 7.454 1.908 4.550 1.00 0.31 O ATOM 3231 CB ALA B 84 4.489 1.437 5.755 1.00 0.35 C ATOM 0 H ALA B 84 4.199 -0.786 4.615 1.00 0.29 H new ATOM 0 HA ALA B 84 5.047 1.821 3.740 1.00 0.30 H new ATOM 0 HB1 ALA B 84 4.886 2.380 6.131 1.00 0.35 H new ATOM 0 HB2 ALA B 84 3.427 1.550 5.540 1.00 0.35 H new ATOM 0 HB3 ALA B 84 4.626 0.660 6.507 1.00 0.35 H new ATOM 3237 N ARG B 85 7.129 -0.202 5.256 1.00 0.41 N ATOM 3238 CA ARG B 85 8.543 -0.468 5.479 1.00 0.49 C ATOM 3239 C ARG B 85 9.278 -0.338 4.154 1.00 0.50 C ATOM 3240 O ARG B 85 10.349 0.270 4.055 1.00 0.56 O ATOM 3241 CB ARG B 85 8.733 -1.878 6.031 1.00 0.56 C ATOM 3242 CG ARG B 85 7.697 -2.273 7.071 1.00 0.59 C ATOM 3243 CD ARG B 85 7.994 -3.646 7.650 1.00 0.67 C ATOM 3244 NE ARG B 85 9.249 -3.670 8.400 1.00 1.05 N ATOM 3245 CZ ARG B 85 10.341 -4.334 8.014 1.00 1.20 C ATOM 3246 NH1 ARG B 85 10.364 -4.977 6.851 1.00 1.45 N ATOM 3247 NH2 ARG B 85 11.419 -4.341 8.783 1.00 1.67 N ATOM 0 H ARG B 85 6.511 -0.974 5.504 1.00 0.41 H new ATOM 0 HA ARG B 85 8.939 0.246 6.201 1.00 0.49 H new ATOM 0 HB2 ARG B 85 8.696 -2.589 5.206 1.00 0.56 H new ATOM 0 HB3 ARG B 85 9.726 -1.954 6.473 1.00 0.56 H new ATOM 0 HG2 ARG B 85 7.682 -1.534 7.872 1.00 0.59 H new ATOM 0 HG3 ARG B 85 6.705 -2.273 6.618 1.00 0.59 H new ATOM 0 HD2 ARG B 85 7.176 -3.947 8.304 1.00 0.67 H new ATOM 0 HD3 ARG B 85 8.041 -4.376 6.842 1.00 0.67 H new ATOM 0 HE ARG B 85 9.293 -3.146 9.274 1.00 1.05 H new ATOM 0 HH11 ARG B 85 9.543 -4.966 6.246 1.00 1.45 H new ATOM 0 HH12 ARG B 85 11.203 -5.482 6.564 1.00 1.45 H new ATOM 0 HH21 ARG B 85 11.415 -3.839 9.671 1.00 1.67 H new ATOM 0 HH22 ARG B 85 12.253 -4.849 8.488 1.00 1.67 H new ATOM 3261 N LEU B 86 8.653 -0.888 3.126 1.00 0.47 N ATOM 3262 CA LEU B 86 9.170 -0.843 1.793 1.00 0.52 C ATOM 3263 C LEU B 86 9.038 0.572 1.225 1.00 0.43 C ATOM 3264 O LEU B 86 9.819 0.986 0.365 1.00 0.49 O ATOM 3265 CB LEU B 86 8.407 -1.866 0.958 1.00 0.61 C ATOM 3266 CG LEU B 86 8.553 -1.711 -0.534 1.00 0.89 C ATOM 3267 CD1 LEU B 86 9.997 -1.935 -0.956 1.00 1.68 C ATOM 3268 CD2 LEU B 86 7.618 -2.663 -1.259 1.00 1.36 C ATOM 0 H LEU B 86 7.764 -1.381 3.208 1.00 0.47 H new ATOM 0 HA LEU B 86 10.231 -1.092 1.778 1.00 0.52 H new ATOM 0 HB2 LEU B 86 8.743 -2.864 1.238 1.00 0.61 H new ATOM 0 HB3 LEU B 86 7.349 -1.803 1.212 1.00 0.61 H new ATOM 0 HG LEU B 86 8.278 -0.692 -0.807 1.00 0.89 H new ATOM 0 HD11 LEU B 86 10.083 -1.819 -2.036 1.00 1.68 H new ATOM 0 HD12 LEU B 86 10.638 -1.206 -0.461 1.00 1.68 H new ATOM 0 HD13 LEU B 86 10.307 -2.941 -0.674 1.00 1.68 H new ATOM 0 HD21 LEU B 86 7.735 -2.539 -2.336 1.00 1.36 H new ATOM 0 HD22 LEU B 86 7.859 -3.690 -0.984 1.00 1.36 H new ATOM 0 HD23 LEU B 86 6.587 -2.445 -0.979 1.00 1.36 H new ATOM 3280 N THR B 87 8.061 1.325 1.725 1.00 0.35 N ATOM 3281 CA THR B 87 7.918 2.716 1.343 1.00 0.34 C ATOM 3282 C THR B 87 9.104 3.528 1.834 1.00 0.38 C ATOM 3283 O THR B 87 9.553 4.447 1.157 1.00 0.48 O ATOM 3284 CB THR B 87 6.628 3.350 1.893 1.00 0.34 C ATOM 3285 OG1 THR B 87 5.479 2.777 1.258 1.00 0.37 O ATOM 3286 CG2 THR B 87 6.649 4.857 1.678 1.00 0.44 C ATOM 0 H THR B 87 7.364 0.992 2.391 1.00 0.35 H new ATOM 0 HA THR B 87 7.870 2.731 0.254 1.00 0.34 H new ATOM 0 HB THR B 87 6.571 3.148 2.963 1.00 0.34 H new ATOM 0 HG1 THR B 87 5.433 1.821 1.467 1.00 0.37 H new ATOM 0 HG21 THR B 87 5.731 5.293 2.071 1.00 0.44 H new ATOM 0 HG22 THR B 87 7.506 5.287 2.196 1.00 0.44 H new ATOM 0 HG23 THR B 87 6.725 5.071 0.612 1.00 0.44 H new ATOM 3294 N TRP B 88 9.615 3.193 3.010 1.00 0.46 N ATOM 3295 CA TRP B 88 10.762 3.899 3.546 1.00 0.61 C ATOM 3296 C TRP B 88 11.980 3.623 2.674 1.00 0.54 C ATOM 3297 O TRP B 88 12.782 4.516 2.401 1.00 0.55 O ATOM 3298 CB TRP B 88 11.031 3.474 4.994 1.00 0.92 C ATOM 3299 CG TRP B 88 12.163 4.222 5.636 1.00 1.28 C ATOM 3300 CD1 TRP B 88 12.082 5.404 6.315 1.00 1.99 C ATOM 3301 CD2 TRP B 88 13.545 3.840 5.659 1.00 1.80 C ATOM 3302 NE1 TRP B 88 13.328 5.780 6.755 1.00 2.32 N ATOM 3303 CE2 TRP B 88 14.242 4.837 6.364 1.00 2.18 C ATOM 3304 CE3 TRP B 88 14.259 2.750 5.149 1.00 2.62 C ATOM 3305 CZ2 TRP B 88 15.618 4.778 6.573 1.00 2.87 C ATOM 3306 CZ3 TRP B 88 15.624 2.694 5.357 1.00 3.49 C ATOM 3307 CH2 TRP B 88 16.290 3.701 6.064 1.00 3.47 C ATOM 0 H TRP B 88 9.256 2.445 3.603 1.00 0.46 H new ATOM 0 HA TRP B 88 10.554 4.969 3.543 1.00 0.61 H new ATOM 0 HB2 TRP B 88 10.126 3.624 5.583 1.00 0.92 H new ATOM 0 HB3 TRP B 88 11.252 2.407 5.016 1.00 0.92 H new ATOM 0 HD1 TRP B 88 11.172 5.961 6.482 1.00 1.99 H new ATOM 0 HE1 TRP B 88 13.539 6.625 7.287 1.00 2.32 H new ATOM 0 HE3 TRP B 88 13.753 1.967 4.603 1.00 2.62 H new ATOM 0 HZ2 TRP B 88 16.135 5.554 7.117 1.00 2.87 H new ATOM 0 HZ3 TRP B 88 16.186 1.858 4.967 1.00 3.49 H new ATOM 0 HH2 TRP B 88 17.357 3.626 6.211 1.00 3.47 H new ATOM 3318 N ALA B 89 12.078 2.392 2.190 1.00 0.64 N ATOM 3319 CA ALA B 89 13.156 2.015 1.286 1.00 0.87 C ATOM 3320 C ALA B 89 13.033 2.758 -0.044 1.00 0.87 C ATOM 3321 O ALA B 89 14.017 3.262 -0.586 1.00 0.96 O ATOM 3322 CB ALA B 89 13.155 0.514 1.060 1.00 1.18 C ATOM 0 H ALA B 89 11.425 1.639 2.408 1.00 0.64 H new ATOM 0 HA ALA B 89 14.103 2.296 1.746 1.00 0.87 H new ATOM 0 HB1 ALA B 89 13.966 0.248 0.382 1.00 1.18 H new ATOM 0 HB2 ALA B 89 13.295 0.003 2.012 1.00 1.18 H new ATOM 0 HB3 ALA B 89 12.203 0.213 0.623 1.00 1.18 H new ATOM 3328 N SER B 90 11.814 2.841 -0.554 1.00 0.93 N ATOM 3329 CA SER B 90 11.557 3.546 -1.801 1.00 1.26 C ATOM 3330 C SER B 90 11.636 5.060 -1.593 1.00 1.23 C ATOM 3331 O SER B 90 11.761 5.822 -2.545 1.00 1.60 O ATOM 3332 CB SER B 90 10.191 3.150 -2.345 1.00 1.54 C ATOM 3333 OG SER B 90 10.079 1.740 -2.446 1.00 1.74 O ATOM 0 H SER B 90 10.986 2.429 -0.124 1.00 0.93 H new ATOM 0 HA SER B 90 12.321 3.266 -2.527 1.00 1.26 H new ATOM 0 HB2 SER B 90 9.409 3.536 -1.691 1.00 1.54 H new ATOM 0 HB3 SER B 90 10.040 3.603 -3.325 1.00 1.54 H new ATOM 0 HG SER B 90 9.985 1.354 -1.550 1.00 1.74 H new ATOM 3339 N HIS B 91 11.559 5.478 -0.336 1.00 1.02 N ATOM 3340 CA HIS B 91 11.772 6.870 0.046 1.00 1.32 C ATOM 3341 C HIS B 91 13.230 7.228 -0.184 1.00 1.07 C ATOM 3342 O HIS B 91 13.563 8.344 -0.587 1.00 1.33 O ATOM 3343 CB HIS B 91 11.394 7.062 1.524 1.00 1.65 C ATOM 3344 CG HIS B 91 11.776 8.387 2.114 1.00 2.27 C ATOM 3345 ND1 HIS B 91 12.959 8.600 2.787 1.00 2.66 N ATOM 3346 CD2 HIS B 91 11.110 9.564 2.156 1.00 2.95 C ATOM 3347 CE1 HIS B 91 13.001 9.846 3.216 1.00 3.16 C ATOM 3348 NE2 HIS B 91 11.891 10.453 2.846 1.00 3.33 N ATOM 0 H HIS B 91 11.347 4.862 0.449 1.00 1.02 H new ATOM 0 HA HIS B 91 11.145 7.525 -0.559 1.00 1.32 H new ATOM 0 HB2 HIS B 91 10.316 6.934 1.626 1.00 1.65 H new ATOM 0 HB3 HIS B 91 11.866 6.272 2.109 1.00 1.65 H new ATOM 0 HD1 HIS B 91 13.689 7.902 2.931 1.00 2.66 H new ATOM 0 HD2 HIS B 91 10.141 9.766 1.725 1.00 2.95 H new ATOM 0 HE1 HIS B 91 13.809 10.294 3.776 1.00 3.16 H new ATOM 3357 N GLU B 92 14.085 6.254 0.066 1.00 0.80 N ATOM 3358 CA GLU B 92 15.516 6.404 -0.130 1.00 1.03 C ATOM 3359 C GLU B 92 15.855 6.381 -1.621 1.00 1.15 C ATOM 3360 O GLU B 92 16.803 7.025 -2.065 1.00 1.42 O ATOM 3361 CB GLU B 92 16.237 5.281 0.610 1.00 1.59 C ATOM 3362 CG GLU B 92 15.755 5.120 2.044 1.00 1.95 C ATOM 3363 CD GLU B 92 16.035 6.344 2.889 1.00 2.70 C ATOM 3364 OE1 GLU B 92 15.111 7.160 3.092 1.00 3.29 O ATOM 3365 OE2 GLU B 92 17.188 6.501 3.345 1.00 3.12 O ATOM 0 H GLU B 92 13.807 5.335 0.411 1.00 0.80 H new ATOM 0 HA GLU B 92 15.843 7.364 0.269 1.00 1.03 H new ATOM 0 HB2 GLU B 92 16.089 4.344 0.074 1.00 1.59 H new ATOM 0 HB3 GLU B 92 17.308 5.481 0.611 1.00 1.59 H new ATOM 0 HG2 GLU B 92 14.684 4.920 2.044 1.00 1.95 H new ATOM 0 HG3 GLU B 92 16.241 4.254 2.492 1.00 1.95 H new ATOM 3372 N LYS B 93 15.051 5.655 -2.390 1.00 1.32 N ATOM 3373 CA LYS B 93 15.213 5.606 -3.840 1.00 1.99 C ATOM 3374 C LYS B 93 14.576 6.846 -4.463 1.00 2.30 C ATOM 3375 O LYS B 93 14.939 7.266 -5.560 1.00 2.85 O ATOM 3376 CB LYS B 93 14.555 4.322 -4.380 1.00 2.58 C ATOM 3377 CG LYS B 93 14.771 4.045 -5.871 1.00 3.28 C ATOM 3378 CD LYS B 93 13.851 4.865 -6.777 1.00 4.10 C ATOM 3379 CE LYS B 93 12.375 4.612 -6.491 1.00 4.84 C ATOM 3380 NZ LYS B 93 11.493 5.376 -7.411 1.00 5.62 N ATOM 0 H LYS B 93 14.279 5.091 -2.034 1.00 1.32 H new ATOM 0 HA LYS B 93 16.271 5.593 -4.100 1.00 1.99 H new ATOM 0 HB2 LYS B 93 14.936 3.473 -3.812 1.00 2.58 H new ATOM 0 HB3 LYS B 93 13.483 4.377 -4.190 1.00 2.58 H new ATOM 0 HG2 LYS B 93 15.808 4.261 -6.127 1.00 3.28 H new ATOM 0 HG3 LYS B 93 14.609 2.985 -6.064 1.00 3.28 H new ATOM 0 HD2 LYS B 93 14.067 5.925 -6.645 1.00 4.10 H new ATOM 0 HD3 LYS B 93 14.063 4.624 -7.819 1.00 4.10 H new ATOM 0 HE2 LYS B 93 12.164 3.547 -6.587 1.00 4.84 H new ATOM 0 HE3 LYS B 93 12.152 4.889 -5.461 1.00 4.84 H new ATOM 0 HZ1 LYS B 93 10.548 5.471 -6.987 1.00 5.62 H new ATOM 0 HZ2 LYS B 93 11.896 6.321 -7.573 1.00 5.62 H new ATOM 0 HZ3 LYS B 93 11.417 4.872 -8.317 1.00 5.62 H new ATOM 3394 N MET B 94 13.660 7.453 -3.722 1.00 2.23 N ATOM 3395 CA MET B 94 12.937 8.628 -4.192 1.00 2.99 C ATOM 3396 C MET B 94 13.895 9.794 -4.402 1.00 3.10 C ATOM 3397 O MET B 94 13.645 10.683 -5.216 1.00 3.75 O ATOM 3398 CB MET B 94 11.845 9.001 -3.192 1.00 3.42 C ATOM 3399 CG MET B 94 10.884 10.069 -3.685 1.00 4.27 C ATOM 3400 SD MET B 94 9.592 10.426 -2.478 1.00 4.99 S ATOM 3401 CE MET B 94 10.580 11.019 -1.108 1.00 5.55 C ATOM 0 H MET B 94 13.398 7.148 -2.785 1.00 2.23 H new ATOM 0 HA MET B 94 12.470 8.396 -5.149 1.00 2.99 H new ATOM 0 HB2 MET B 94 11.277 8.105 -2.941 1.00 3.42 H new ATOM 0 HB3 MET B 94 12.315 9.348 -2.272 1.00 3.42 H new ATOM 0 HG2 MET B 94 11.438 10.982 -3.904 1.00 4.27 H new ATOM 0 HG3 MET B 94 10.427 9.742 -4.619 1.00 4.27 H new ATOM 0 HE1 MET B 94 9.966 11.064 -0.209 1.00 5.55 H new ATOM 0 HE2 MET B 94 11.417 10.340 -0.942 1.00 5.55 H new ATOM 0 HE3 MET B 94 10.960 12.014 -1.338 1.00 5.55 H new ATOM 3411 N HIS B 95 15.003 9.778 -3.670 1.00 2.68 N ATOM 3412 CA HIS B 95 16.069 10.745 -3.887 1.00 3.05 C ATOM 3413 C HIS B 95 16.890 10.333 -5.099 1.00 3.06 C ATOM 3414 O HIS B 95 18.047 9.933 -4.970 1.00 3.08 O ATOM 3415 CB HIS B 95 16.983 10.849 -2.659 1.00 3.35 C ATOM 3416 CG HIS B 95 16.383 11.572 -1.493 1.00 3.77 C ATOM 3417 ND1 HIS B 95 16.774 12.839 -1.113 1.00 4.56 N ATOM 3418 CD2 HIS B 95 15.434 11.193 -0.605 1.00 4.03 C ATOM 3419 CE1 HIS B 95 16.094 13.207 -0.044 1.00 5.11 C ATOM 3420 NE2 HIS B 95 15.274 12.226 0.284 1.00 4.83 N ATOM 0 H HIS B 95 15.185 9.107 -2.923 1.00 2.68 H new ATOM 0 HA HIS B 95 15.615 11.721 -4.059 1.00 3.05 H new ATOM 0 HB2 HIS B 95 17.260 9.843 -2.342 1.00 3.35 H new ATOM 0 HB3 HIS B 95 17.903 11.356 -2.949 1.00 3.35 H new ATOM 0 HD2 HIS B 95 14.902 10.253 -0.598 1.00 4.03 H new ATOM 0 HE1 HIS B 95 16.192 14.150 0.474 1.00 5.11 H new ATOM 0 HE2 HIS B 95 14.626 12.234 1.071 1.00 4.83 H new ATOM 3429 N GLU B 96 16.283 10.435 -6.273 1.00 3.44 N ATOM 3430 CA GLU B 96 16.932 10.064 -7.511 1.00 3.97 C ATOM 3431 C GLU B 96 18.149 10.937 -7.753 1.00 4.61 C ATOM 3432 O GLU B 96 18.054 12.162 -7.853 1.00 4.85 O ATOM 3433 CB GLU B 96 15.933 10.151 -8.661 1.00 4.52 C ATOM 3434 CG GLU B 96 16.527 9.769 -9.997 1.00 5.34 C ATOM 3435 CD GLU B 96 15.500 9.739 -11.109 1.00 5.65 C ATOM 3436 OE1 GLU B 96 14.935 8.658 -11.374 1.00 5.97 O ATOM 3437 OE2 GLU B 96 15.245 10.797 -11.720 1.00 5.94 O ATOM 0 H GLU B 96 15.329 10.777 -6.388 1.00 3.44 H new ATOM 0 HA GLU B 96 17.281 9.034 -7.445 1.00 3.97 H new ATOM 0 HB2 GLU B 96 15.086 9.499 -8.448 1.00 4.52 H new ATOM 0 HB3 GLU B 96 15.545 11.168 -8.721 1.00 4.52 H new ATOM 0 HG2 GLU B 96 17.315 10.477 -10.255 1.00 5.34 H new ATOM 0 HG3 GLU B 96 16.995 8.788 -9.914 1.00 5.34 H new ATOM 3444 N GLY B 97 19.289 10.272 -7.828 1.00 5.13 N ATOM 3445 CA GLY B 97 20.564 10.937 -7.991 1.00 5.87 C ATOM 3446 C GLY B 97 20.685 11.629 -9.324 1.00 6.61 C ATOM 3447 O GLY B 97 21.591 12.422 -9.536 1.00 7.19 O ATOM 0 H GLY B 97 19.354 9.255 -7.777 1.00 5.13 H new ATOM 0 HA2 GLY B 97 20.694 11.667 -7.192 1.00 5.87 H new ATOM 0 HA3 GLY B 97 21.367 10.207 -7.890 1.00 5.87 H new ATOM 3451 N ASP B 98 19.756 11.339 -10.221 1.00 6.84 N ATOM 3452 CA ASP B 98 19.871 11.772 -11.593 1.00 7.64 C ATOM 3453 C ASP B 98 19.743 13.292 -11.727 1.00 7.49 C ATOM 3454 O ASP B 98 20.179 13.872 -12.722 1.00 8.14 O ATOM 3455 CB ASP B 98 18.822 11.074 -12.461 1.00 8.46 C ATOM 3456 CG ASP B 98 18.969 11.400 -13.934 1.00 9.24 C ATOM 3457 OD1 ASP B 98 18.192 12.234 -14.443 1.00 9.86 O ATOM 3458 OD2 ASP B 98 19.862 10.820 -14.588 1.00 9.45 O ATOM 0 H ASP B 98 18.913 10.803 -10.016 1.00 6.84 H new ATOM 0 HA ASP B 98 20.866 11.495 -11.940 1.00 7.64 H new ATOM 0 HB2 ASP B 98 18.901 9.996 -12.322 1.00 8.46 H new ATOM 0 HB3 ASP B 98 17.827 11.366 -12.126 1.00 8.46 H new ATOM 3463 N GLU B 99 19.175 13.936 -10.714 1.00 6.89 N ATOM 3464 CA GLU B 99 19.039 15.390 -10.716 1.00 7.03 C ATOM 3465 C GLU B 99 20.374 16.058 -10.394 1.00 6.75 C ATOM 3466 O GLU B 99 20.641 17.183 -10.816 1.00 7.18 O ATOM 3467 CB GLU B 99 17.990 15.835 -9.694 1.00 7.20 C ATOM 3468 CG GLU B 99 16.611 15.243 -9.926 1.00 7.59 C ATOM 3469 CD GLU B 99 16.025 15.624 -11.267 1.00 8.35 C ATOM 3470 OE1 GLU B 99 15.494 16.745 -11.395 1.00 8.53 O ATOM 3471 OE2 GLU B 99 16.071 14.794 -12.196 1.00 8.93 O ATOM 0 H GLU B 99 18.802 13.477 -9.883 1.00 6.89 H new ATOM 0 HA GLU B 99 18.719 15.693 -11.713 1.00 7.03 H new ATOM 0 HB2 GLU B 99 18.330 15.558 -8.696 1.00 7.20 H new ATOM 0 HB3 GLU B 99 17.916 16.922 -9.715 1.00 7.20 H new ATOM 0 HG2 GLU B 99 16.671 14.157 -9.857 1.00 7.59 H new ATOM 0 HG3 GLU B 99 15.940 15.576 -9.134 1.00 7.59 H new ATOM 3478 N GLY B 100 21.212 15.350 -9.655 1.00 6.35 N ATOM 3479 CA GLY B 100 22.477 15.898 -9.206 1.00 6.46 C ATOM 3480 C GLY B 100 23.125 14.981 -8.193 1.00 6.53 C ATOM 3481 O GLY B 100 22.912 15.135 -6.991 1.00 6.77 O ATOM 0 H GLY B 100 21.036 14.392 -9.354 1.00 6.35 H new ATOM 0 HA2 GLY B 100 23.143 16.036 -10.058 1.00 6.46 H new ATOM 0 HA3 GLY B 100 22.317 16.882 -8.764 1.00 6.46 H new ATOM 3485 N PRO B 101 23.923 14.012 -8.653 1.00 6.66 N ATOM 3486 CA PRO B 101 24.397 12.917 -7.811 1.00 7.12 C ATOM 3487 C PRO B 101 25.460 13.324 -6.798 1.00 7.77 C ATOM 3488 O PRO B 101 26.392 14.073 -7.104 1.00 7.97 O ATOM 3489 CB PRO B 101 24.992 11.910 -8.810 1.00 7.27 C ATOM 3490 CG PRO B 101 24.652 12.426 -10.172 1.00 7.07 C ATOM 3491 CD PRO B 101 24.432 13.900 -10.023 1.00 6.75 C ATOM 0 HA PRO B 101 23.578 12.527 -7.206 1.00 7.12 H new ATOM 0 HB2 PRO B 101 26.071 11.827 -8.683 1.00 7.27 H new ATOM 0 HB3 PRO B 101 24.575 10.915 -8.655 1.00 7.27 H new ATOM 0 HG2 PRO B 101 25.458 12.223 -10.877 1.00 7.07 H new ATOM 0 HG3 PRO B 101 23.759 11.937 -10.561 1.00 7.07 H new ATOM 0 HD2 PRO B 101 25.355 14.463 -10.159 1.00 6.75 H new ATOM 0 HD3 PRO B 101 23.717 14.279 -10.753 1.00 6.75 H new ATOM 3499 N GLY B 102 25.283 12.836 -5.582 1.00 8.37 N ATOM 3500 CA GLY B 102 26.343 12.833 -4.598 1.00 9.26 C ATOM 3501 C GLY B 102 26.800 11.412 -4.360 1.00 9.69 C ATOM 3502 O GLY B 102 27.981 11.136 -4.161 1.00 10.54 O ATOM 0 H GLY B 102 24.405 12.434 -5.254 1.00 8.37 H new ATOM 0 HA2 GLY B 102 27.178 13.442 -4.944 1.00 9.26 H new ATOM 0 HA3 GLY B 102 25.991 13.275 -3.666 1.00 9.26 H new ATOM 3506 N HIS B 103 25.825 10.514 -4.398 1.00 9.21 N ATOM 3507 CA HIS B 103 26.053 9.082 -4.331 1.00 9.48 C ATOM 3508 C HIS B 103 24.908 8.386 -5.058 1.00 8.44 C ATOM 3509 O HIS B 103 23.744 8.731 -4.855 1.00 7.95 O ATOM 3510 CB HIS B 103 26.156 8.599 -2.874 1.00 10.48 C ATOM 3511 CG HIS B 103 24.944 8.886 -2.034 1.00 11.41 C ATOM 3512 ND1 HIS B 103 23.960 7.955 -1.782 1.00 11.88 N ATOM 3513 CD2 HIS B 103 24.569 10.010 -1.378 1.00 12.12 C ATOM 3514 CE1 HIS B 103 23.035 8.492 -1.011 1.00 12.79 C ATOM 3515 NE2 HIS B 103 23.381 9.737 -0.751 1.00 12.94 N ATOM 0 H HIS B 103 24.840 10.766 -4.477 1.00 9.21 H new ATOM 0 HA HIS B 103 27.002 8.838 -4.809 1.00 9.48 H new ATOM 0 HB2 HIS B 103 26.336 7.524 -2.873 1.00 10.48 H new ATOM 0 HB3 HIS B 103 27.023 9.068 -2.410 1.00 10.48 H new ATOM 0 HD2 HIS B 103 25.106 10.947 -1.353 1.00 12.12 H new ATOM 0 HE1 HIS B 103 22.145 7.996 -0.653 1.00 12.79 H new ATOM 0 HE2 HIS B 103 22.850 10.392 -0.176 1.00 12.94 H new ATOM 3524 N HIS B 104 25.224 7.426 -5.910 1.00 8.26 N ATOM 3525 CA HIS B 104 24.202 6.820 -6.753 1.00 7.31 C ATOM 3526 C HIS B 104 23.685 5.517 -6.157 1.00 7.22 C ATOM 3527 O HIS B 104 24.458 4.632 -5.796 1.00 7.93 O ATOM 3528 CB HIS B 104 24.712 6.595 -8.190 1.00 7.18 C ATOM 3529 CG HIS B 104 25.825 5.596 -8.324 1.00 7.34 C ATOM 3530 ND1 HIS B 104 25.619 4.283 -8.692 1.00 7.09 N ATOM 3531 CD2 HIS B 104 27.159 5.730 -8.153 1.00 8.06 C ATOM 3532 CE1 HIS B 104 26.778 3.655 -8.738 1.00 7.65 C ATOM 3533 NE2 HIS B 104 27.731 4.510 -8.415 1.00 8.23 N ATOM 0 H HIS B 104 26.164 7.052 -6.037 1.00 8.26 H new ATOM 0 HA HIS B 104 23.370 7.523 -6.798 1.00 7.31 H new ATOM 0 HB2 HIS B 104 23.876 6.269 -8.808 1.00 7.18 H new ATOM 0 HB3 HIS B 104 25.052 7.550 -8.592 1.00 7.18 H new ATOM 0 HD2 HIS B 104 27.679 6.631 -7.864 1.00 8.06 H new ATOM 0 HE1 HIS B 104 26.923 2.616 -8.996 1.00 7.65 H new ATOM 0 HE2 HIS B 104 28.728 4.299 -8.368 1.00 8.23 H new ATOM 3542 N HIS B 105 22.372 5.422 -6.043 1.00 6.47 N ATOM 3543 CA HIS B 105 21.723 4.193 -5.613 1.00 6.26 C ATOM 3544 C HIS B 105 21.178 3.482 -6.840 1.00 5.23 C ATOM 3545 O HIS B 105 20.978 4.108 -7.877 1.00 4.81 O ATOM 3546 CB HIS B 105 20.595 4.478 -4.606 1.00 6.70 C ATOM 3547 CG HIS B 105 19.448 5.273 -5.160 1.00 7.16 C ATOM 3548 ND1 HIS B 105 19.213 6.584 -4.821 1.00 7.48 N ATOM 3549 CD2 HIS B 105 18.465 4.933 -6.029 1.00 7.68 C ATOM 3550 CE1 HIS B 105 18.142 7.015 -5.454 1.00 8.12 C ATOM 3551 NE2 HIS B 105 17.667 6.034 -6.196 1.00 8.24 N ATOM 0 H HIS B 105 21.728 6.187 -6.244 1.00 6.47 H new ATOM 0 HA HIS B 105 22.451 3.559 -5.107 1.00 6.26 H new ATOM 0 HB2 HIS B 105 20.214 3.529 -4.230 1.00 6.70 H new ATOM 0 HB3 HIS B 105 21.013 5.014 -3.754 1.00 6.70 H new ATOM 0 HD2 HIS B 105 18.335 3.971 -6.503 1.00 7.68 H new ATOM 0 HE1 HIS B 105 17.722 8.007 -5.378 1.00 8.12 H new ATOM 0 HE2 HIS B 105 16.843 6.086 -6.795 1.00 8.24 H new ATOM 3560 N LYS B 106 20.946 2.190 -6.734 1.00 4.97 N ATOM 3561 CA LYS B 106 20.473 1.422 -7.872 1.00 4.19 C ATOM 3562 C LYS B 106 18.997 1.707 -8.160 1.00 3.39 C ATOM 3563 O LYS B 106 18.212 1.967 -7.248 1.00 3.38 O ATOM 3564 CB LYS B 106 20.705 -0.069 -7.645 1.00 4.56 C ATOM 3565 CG LYS B 106 22.176 -0.440 -7.538 1.00 4.70 C ATOM 3566 CD LYS B 106 22.397 -1.937 -7.691 1.00 4.99 C ATOM 3567 CE LYS B 106 22.059 -2.414 -9.097 1.00 5.63 C ATOM 3568 NZ LYS B 106 22.845 -1.696 -10.135 1.00 6.24 N ATOM 0 H LYS B 106 21.076 1.650 -5.878 1.00 4.97 H new ATOM 0 HA LYS B 106 21.045 1.730 -8.747 1.00 4.19 H new ATOM 0 HB2 LYS B 106 20.193 -0.374 -6.732 1.00 4.56 H new ATOM 0 HB3 LYS B 106 20.255 -0.629 -8.465 1.00 4.56 H new ATOM 0 HG2 LYS B 106 22.741 0.090 -8.305 1.00 4.70 H new ATOM 0 HG3 LYS B 106 22.563 -0.113 -6.573 1.00 4.70 H new ATOM 0 HD2 LYS B 106 23.436 -2.177 -7.465 1.00 4.99 H new ATOM 0 HD3 LYS B 106 21.782 -2.472 -6.967 1.00 4.99 H new ATOM 0 HE2 LYS B 106 22.252 -3.484 -9.172 1.00 5.63 H new ATOM 0 HE3 LYS B 106 20.995 -2.268 -9.283 1.00 5.63 H new ATOM 0 HZ1 LYS B 106 22.808 -2.228 -11.028 1.00 6.24 H new ATOM 0 HZ2 LYS B 106 22.444 -0.748 -10.280 1.00 6.24 H new ATOM 0 HZ3 LYS B 106 23.834 -1.610 -9.824 1.00 6.24 H new ATOM 3582 N PRO B 107 18.638 1.710 -9.453 1.00 2.89 N ATOM 3583 CA PRO B 107 17.270 1.948 -9.932 1.00 2.49 C ATOM 3584 C PRO B 107 16.163 1.141 -9.238 1.00 2.26 C ATOM 3585 O PRO B 107 16.358 0.072 -8.718 1.00 2.44 O ATOM 3586 CB PRO B 107 17.347 1.552 -11.402 1.00 2.52 C ATOM 3587 CG PRO B 107 18.746 1.861 -11.797 1.00 2.34 C ATOM 3588 CD PRO B 107 19.590 1.623 -10.574 1.00 2.91 C ATOM 0 HA PRO B 107 16.986 2.980 -9.729 1.00 2.49 H new ATOM 0 HB2 PRO B 107 17.119 0.495 -11.541 1.00 2.52 H new ATOM 0 HB3 PRO B 107 16.632 2.114 -12.003 1.00 2.52 H new ATOM 0 HG2 PRO B 107 19.067 1.225 -12.622 1.00 2.34 H new ATOM 0 HG3 PRO B 107 18.836 2.893 -12.137 1.00 2.34 H new ATOM 0 HD2 PRO B 107 20.075 0.648 -10.609 1.00 2.91 H new ATOM 0 HD3 PRO B 107 20.380 2.369 -10.484 1.00 2.91 H new ATOM 3596 N GLY B 108 15.023 1.773 -9.255 1.00 2.45 N ATOM 3597 CA GLY B 108 13.759 1.397 -8.621 1.00 2.83 C ATOM 3598 C GLY B 108 13.787 0.943 -7.169 1.00 2.49 C ATOM 3599 O GLY B 108 12.973 1.434 -6.386 1.00 3.17 O ATOM 0 H GLY B 108 14.931 2.654 -9.760 1.00 2.45 H new ATOM 0 HA2 GLY B 108 13.086 2.252 -8.689 1.00 2.83 H new ATOM 0 HA3 GLY B 108 13.317 0.595 -9.212 1.00 2.83 H new ATOM 3603 N LEU B 109 14.694 0.077 -6.757 1.00 1.75 N ATOM 3604 CA LEU B 109 15.285 0.117 -5.441 1.00 1.54 C ATOM 3605 C LEU B 109 16.734 -0.337 -5.555 1.00 1.59 C ATOM 3606 O LEU B 109 17.673 0.270 -5.036 1.00 2.15 O ATOM 3607 CB LEU B 109 14.490 -0.755 -4.467 1.00 1.71 C ATOM 3608 CG LEU B 109 14.367 -0.196 -3.047 1.00 1.24 C ATOM 3609 CD1 LEU B 109 13.258 -0.906 -2.294 1.00 1.70 C ATOM 3610 CD2 LEU B 109 15.682 -0.329 -2.295 1.00 1.78 C ATOM 0 H LEU B 109 15.043 -0.684 -7.339 1.00 1.75 H new ATOM 0 HA LEU B 109 15.260 1.132 -5.044 1.00 1.54 H new ATOM 0 HB2 LEU B 109 13.488 -0.903 -4.871 1.00 1.71 H new ATOM 0 HB3 LEU B 109 14.961 -1.737 -4.415 1.00 1.71 H new ATOM 0 HG LEU B 109 14.121 0.863 -3.120 1.00 1.24 H new ATOM 0 HD11 LEU B 109 13.183 -0.497 -1.286 1.00 1.70 H new ATOM 0 HD12 LEU B 109 12.312 -0.760 -2.816 1.00 1.70 H new ATOM 0 HD13 LEU B 109 13.481 -1.972 -2.238 1.00 1.70 H new ATOM 0 HD21 LEU B 109 15.568 0.075 -1.289 1.00 1.78 H new ATOM 0 HD22 LEU B 109 15.961 -1.381 -2.234 1.00 1.78 H new ATOM 0 HD23 LEU B 109 16.460 0.223 -2.822 1.00 1.78 H new ATOM 3622 N GLY B 110 16.846 -1.490 -6.234 1.00 1.59 N ATOM 3623 CA GLY B 110 18.110 -2.199 -6.408 1.00 2.25 C ATOM 3624 C GLY B 110 18.339 -2.608 -7.852 1.00 2.20 C ATOM 3625 O GLY B 110 19.248 -3.376 -8.168 1.00 2.79 O ATOM 0 H GLY B 110 16.053 -1.954 -6.678 1.00 1.59 H new ATOM 0 HA2 GLY B 110 18.931 -1.563 -6.077 1.00 2.25 H new ATOM 0 HA3 GLY B 110 18.118 -3.086 -5.774 1.00 2.25 H new ATOM 3629 N GLU B 111 17.476 -2.113 -8.705 1.00 1.69 N ATOM 3630 CA GLU B 111 17.276 -2.623 -10.051 1.00 1.65 C ATOM 3631 C GLU B 111 18.374 -2.210 -11.015 1.00 1.99 C ATOM 3632 O GLU B 111 19.038 -1.202 -10.824 1.00 2.42 O ATOM 3633 CB GLU B 111 15.906 -2.169 -10.569 1.00 1.81 C ATOM 3634 CG GLU B 111 14.751 -3.002 -10.029 1.00 2.09 C ATOM 3635 CD GLU B 111 14.997 -3.500 -8.617 1.00 2.86 C ATOM 3636 OE1 GLU B 111 14.788 -2.724 -7.661 1.00 3.18 O ATOM 3637 OE2 GLU B 111 15.441 -4.664 -8.471 1.00 3.68 O ATOM 0 H GLU B 111 16.873 -1.321 -8.481 1.00 1.69 H new ATOM 0 HA GLU B 111 17.315 -3.711 -9.996 1.00 1.65 H new ATOM 0 HB2 GLU B 111 15.750 -1.125 -10.297 1.00 1.81 H new ATOM 0 HB3 GLU B 111 15.902 -2.218 -11.658 1.00 1.81 H new ATOM 0 HG2 GLU B 111 13.839 -2.405 -10.045 1.00 2.09 H new ATOM 0 HG3 GLU B 111 14.585 -3.855 -10.687 1.00 2.09 H new ATOM 3644 N GLY B 112 18.592 -3.034 -12.026 1.00 2.15 N ATOM 3645 CA GLY B 112 19.457 -2.649 -13.114 1.00 2.63 C ATOM 3646 C GLY B 112 18.660 -2.451 -14.382 1.00 2.73 C ATOM 3647 O GLY B 112 18.146 -3.413 -14.954 1.00 2.85 O ATOM 0 H GLY B 112 18.183 -3.965 -12.111 1.00 2.15 H new ATOM 0 HA2 GLY B 112 19.982 -1.728 -12.860 1.00 2.63 H new ATOM 0 HA3 GLY B 112 20.216 -3.415 -13.271 1.00 2.63 H new ATOM 3651 N THR B 113 18.547 -1.210 -14.818 1.00 2.91 N ATOM 3652 CA THR B 113 17.736 -0.888 -15.974 1.00 3.24 C ATOM 3653 C THR B 113 18.538 -0.101 -17.002 1.00 3.68 C ATOM 3654 O THR B 113 19.135 0.925 -16.674 1.00 3.89 O ATOM 3655 CB THR B 113 16.489 -0.080 -15.562 1.00 3.29 C ATOM 3656 OG1 THR B 113 16.876 1.036 -14.749 1.00 3.36 O ATOM 3657 CG2 THR B 113 15.502 -0.950 -14.796 1.00 3.54 C ATOM 0 H THR B 113 19.008 -0.408 -14.387 1.00 2.91 H new ATOM 0 HA THR B 113 17.417 -1.829 -16.423 1.00 3.24 H new ATOM 0 HB THR B 113 16.003 0.278 -16.469 1.00 3.29 H new ATOM 0 HG1 THR B 113 17.752 1.364 -15.040 1.00 3.36 H new ATOM 0 HG21 THR B 113 14.632 -0.355 -14.518 1.00 3.54 H new ATOM 0 HG22 THR B 113 15.186 -1.782 -15.425 1.00 3.54 H new ATOM 0 HG23 THR B 113 15.980 -1.337 -13.896 1.00 3.54 H new ATOM 3665 N PRO B 114 18.605 -0.594 -18.247 1.00 4.05 N ATOM 3666 CA PRO B 114 19.234 0.135 -19.348 1.00 4.62 C ATOM 3667 C PRO B 114 18.438 1.383 -19.717 1.00 4.86 C ATOM 3668 O PRO B 114 18.726 2.460 -19.157 1.00 5.03 O ATOM 3669 CB PRO B 114 19.228 -0.868 -20.510 1.00 5.03 C ATOM 3670 CG PRO B 114 18.941 -2.192 -19.888 1.00 4.79 C ATOM 3671 CD PRO B 114 18.106 -1.905 -18.677 1.00 4.19 C ATOM 3672 OXT PRO B 114 17.516 1.277 -20.552 1.00 5.21 O ATOM 0 HA PRO B 114 20.234 0.484 -19.090 1.00 4.62 H new ATOM 0 HB2 PRO B 114 18.470 -0.609 -21.249 1.00 5.03 H new ATOM 0 HB3 PRO B 114 20.188 -0.876 -21.027 1.00 5.03 H new ATOM 0 HG2 PRO B 114 18.410 -2.843 -20.583 1.00 4.79 H new ATOM 0 HG3 PRO B 114 19.864 -2.703 -19.614 1.00 4.79 H new ATOM 0 HD2 PRO B 114 17.043 -1.876 -18.915 1.00 4.19 H new ATOM 0 HD3 PRO B 114 18.239 -2.662 -17.904 1.00 4.19 H new TER 3680 PRO B 114