USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1288 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 60 GLN : amide:sc= -0.681 K(o=-0.63,f=-3) USER MOD Set 1.2: B 63 LYS NZ :NH3+ -174:sc= 0.0497 (180deg=0) USER MOD Set 2.1: B 8 SER OG : rot -177:sc= -0.408 USER MOD Set 2.2: B 9 ASN : amide:sc= -0.169 K(o=-0.58,f=-4!) USER MOD Set 3.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 33 SER OG : rot 71:sc= 1.23 USER MOD Set 4.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: B 35 MET CE :methyl 176:sc= -0.607 (180deg=-0.682) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot -100:sc= 0.312 USER MOD Single : A 6 LYS NZ :NH3+ -176:sc= 0.19 (180deg=0.18) USER MOD Single : A 7 TYR OH : rot 120:sc= -1.17 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0496) USER MOD Single : A 26 HIS : no HD1:sc= -3.15! C(o=-3.2!,f=-9.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0348 USER MOD Single : A 33 SER OG : rot -79:sc= 0.875 USER MOD Single : A 35 MET CE :methyl -160:sc= -0.252 (180deg=-0.901) USER MOD Single : A 39 ASN : amide:sc= 1.33 K(o=1.3,f=-0.04) USER MOD Single : A 40 CYS SG : rot 160:sc= -0.288 USER MOD Single : A 42 THR OG1 : rot 88:sc= 1.23 USER MOD Single : A 43 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.2!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00465 USER MOD Single : A 53 SER OG : rot -18:sc= 1.3 USER MOD Single : A 55 GLN : amide:sc= -0.0236 X(o=-0.024,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= 0.755 (180deg=0.379) USER MOD Single : A 67 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.076) USER MOD Single : A 68 SER OG : rot 65:sc= 1.24 USER MOD Single : A 70 LYS NZ :NH3+ 168:sc=-0.00867 (180deg=-0.14) USER MOD Single : A 71 SER OG : rot 102:sc= 1.21 USER MOD Single : A 72 ASN : amide:sc= -0.057! X(o=-0.057!,f=-0.0053) USER MOD Single : A 75 HIS : no HE2:sc= 0.0404 K(o=0.04,f=-0.73) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 77 HIS : no HD1:sc= -0.999 K(o=-1,f=-0.078) USER MOD Single : A 78 HIS : no HD1:sc=-0.00178 X(o=-0.0018,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.0342 X(o=-0.034,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 175:sc= -0.555 (180deg=-0.627) USER MOD Single : B 4 GLN : amide:sc= -1.43 K(o=-1.4,f=-6.5!) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ 170:sc=-0.00255 (180deg=-0.102) USER MOD Single : B 7 TYR OH : rot -165:sc= 1.22 USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.0021) USER MOD Single : B 14 SER OG : rot -69:sc= 0.231 USER MOD Single : B 25 LYS NZ :NH3+ -167:sc= -0.292 (180deg=-0.634!) USER MOD Single : B 26 HIS : no HD1:sc= -0.0571 K(o=-0.057,f=-4.6!) USER MOD Single : B 27 LYS NZ :NH3+ 157:sc= 0.81 (180deg=0.0219) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.524 USER MOD Single : B 39 ASN : amide:sc= 1.21 K(o=1.2,f=-0.038) USER MOD Single : B 40 CYS SG : rot -170:sc= -0.537 USER MOD Single : B 42 THR OG1 : rot 77:sc= 0.756 USER MOD Single : B 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 SER OG : rot 180:sc= 0.091 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.5!) USER MOD Single : B 67 GLN : amide:sc= -0.0441 X(o=-0.044,f=-0.039) USER MOD Single : B 68 SER OG : rot 68:sc= 1.26 USER MOD Single : B 70 LYS NZ :NH3+ -169:sc= -0.026 (180deg=-0.138) USER MOD Single : B 71 SER OG : rot 17:sc= 0.208 USER MOD Single : B 72 ASN : amide:sc= -0.0553 X(o=-0.055,f=-0.014) USER MOD Single : B 75 HIS : no HD1:sc=-0.00595 X(o=-0.006,f=0) USER MOD Single : B 76 HIS : no HD1:sc=-0.00945 X(o=-0.0095,f=0) USER MOD Single : B 77 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : B 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 79 HIS : no HD1:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : B 80 HIS : no HE2:sc= -0.0735 K(o=-0.074,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.090 15.124 -14.111 1.00 0.00 N ATOM 2 CA MET A 1 -4.957 15.246 -13.167 1.00 0.00 C ATOM 3 C MET A 1 -3.669 15.555 -13.914 1.00 0.00 C ATOM 4 O MET A 1 -3.300 14.844 -14.847 1.00 0.00 O ATOM 5 CB MET A 1 -4.794 13.955 -12.363 1.00 0.00 C ATOM 6 CG MET A 1 -3.642 13.992 -11.373 1.00 0.00 C ATOM 7 SD MET A 1 -3.495 12.465 -10.424 1.00 0.00 S ATOM 8 CE MET A 1 -2.055 12.829 -9.424 1.00 0.00 C ATOM 0 H1 MET A 1 -6.961 14.913 -13.583 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.208 16.018 -14.630 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.899 14.355 -14.785 1.00 0.00 H new ATOM 0 HA MET A 1 -5.170 16.067 -12.482 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.719 13.755 -11.823 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.642 13.125 -13.053 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.711 14.172 -11.911 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.782 14.829 -10.689 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.835 11.978 -8.780 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.201 13.024 -10.073 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.251 13.708 -8.810 1.00 0.00 H new ATOM 20 N ALA A 2 -2.995 16.622 -13.510 1.00 0.00 N ATOM 21 CA ALA A 2 -1.707 16.976 -14.086 1.00 0.00 C ATOM 22 C ALA A 2 -0.773 17.471 -12.993 1.00 0.00 C ATOM 23 O ALA A 2 0.056 16.721 -12.480 1.00 0.00 O ATOM 24 CB ALA A 2 -1.874 18.026 -15.177 1.00 0.00 C ATOM 0 H ALA A 2 -3.321 17.259 -12.783 1.00 0.00 H new ATOM 0 HA ALA A 2 -1.269 16.089 -14.544 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.898 18.276 -15.594 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.516 17.633 -15.965 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.328 18.922 -14.753 1.00 0.00 H new ATOM 30 N ILE A 3 -0.935 18.730 -12.622 1.00 0.00 N ATOM 31 CA ILE A 3 -0.191 19.302 -11.513 1.00 0.00 C ATOM 32 C ILE A 3 -1.157 20.001 -10.563 1.00 0.00 C ATOM 33 O ILE A 3 -1.958 20.837 -10.992 1.00 0.00 O ATOM 34 CB ILE A 3 0.911 20.283 -11.994 1.00 0.00 C ATOM 35 CG1 ILE A 3 1.633 20.911 -10.793 1.00 0.00 C ATOM 36 CG2 ILE A 3 0.329 21.361 -12.901 1.00 0.00 C ATOM 37 CD1 ILE A 3 2.798 21.802 -11.174 1.00 0.00 C ATOM 0 H ILE A 3 -1.579 19.378 -13.076 1.00 0.00 H new ATOM 0 HA ILE A 3 0.316 18.491 -10.989 1.00 0.00 H new ATOM 0 HB ILE A 3 1.638 19.717 -12.576 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.916 21.494 -10.215 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.995 20.115 -10.142 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.124 22.034 -13.223 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.127 20.895 -13.774 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.427 21.926 -12.356 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.256 22.208 -10.272 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.536 21.220 -11.725 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.441 22.620 -11.799 1.00 0.00 H new ATOM 49 N GLN A 4 -1.095 19.623 -9.283 1.00 0.00 N ATOM 50 CA GLN A 4 -2.017 20.124 -8.260 1.00 0.00 C ATOM 51 C GLN A 4 -3.433 19.596 -8.515 1.00 0.00 C ATOM 52 O GLN A 4 -3.878 18.655 -7.853 1.00 0.00 O ATOM 53 CB GLN A 4 -2.009 21.660 -8.212 1.00 0.00 C ATOM 54 CG GLN A 4 -2.911 22.250 -7.140 1.00 0.00 C ATOM 55 CD GLN A 4 -2.991 23.761 -7.214 1.00 0.00 C ATOM 56 OE1 GLN A 4 -3.854 24.313 -7.897 1.00 0.00 O ATOM 57 NE2 GLN A 4 -2.097 24.439 -6.514 1.00 0.00 N ATOM 0 H GLN A 4 -0.405 18.962 -8.927 1.00 0.00 H new ATOM 0 HA GLN A 4 -1.680 19.759 -7.290 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.988 22.003 -8.042 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.317 22.045 -9.184 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.912 21.831 -7.242 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.541 21.957 -6.157 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.399 23.942 -5.961 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.106 25.459 -6.527 1.00 0.00 H new ATOM 66 N SER A 5 -4.111 20.192 -9.494 1.00 0.00 N ATOM 67 CA SER A 5 -5.460 19.799 -9.890 1.00 0.00 C ATOM 68 C SER A 5 -6.464 19.965 -8.739 1.00 0.00 C ATOM 69 O SER A 5 -7.101 21.011 -8.613 1.00 0.00 O ATOM 70 CB SER A 5 -5.460 18.360 -10.426 1.00 0.00 C ATOM 71 OG SER A 5 -4.548 18.217 -11.511 1.00 0.00 O ATOM 0 H SER A 5 -3.735 20.968 -10.039 1.00 0.00 H new ATOM 0 HA SER A 5 -5.782 20.466 -10.690 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.189 17.671 -9.626 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.464 18.090 -10.753 1.00 0.00 H new ATOM 0 HG SER A 5 -5.040 18.245 -12.358 1.00 0.00 H new ATOM 77 N LYS A 6 -6.585 18.951 -7.888 1.00 0.00 N ATOM 78 CA LYS A 6 -7.542 18.988 -6.788 1.00 0.00 C ATOM 79 C LYS A 6 -6.875 18.610 -5.470 1.00 0.00 C ATOM 80 O LYS A 6 -7.544 18.408 -4.455 1.00 0.00 O ATOM 81 CB LYS A 6 -8.730 18.063 -7.079 1.00 0.00 C ATOM 82 CG LYS A 6 -8.349 16.610 -7.326 1.00 0.00 C ATOM 83 CD LYS A 6 -9.541 15.813 -7.836 1.00 0.00 C ATOM 84 CE LYS A 6 -9.163 14.378 -8.176 1.00 0.00 C ATOM 85 NZ LYS A 6 -8.914 13.559 -6.961 1.00 0.00 N ATOM 0 H LYS A 6 -6.033 18.095 -7.939 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.913 20.009 -6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.423 18.107 -6.239 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.263 18.440 -7.952 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.537 16.561 -8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.978 16.165 -6.402 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.327 15.812 -7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.951 16.300 -8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.962 13.923 -8.761 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.270 14.378 -8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.594 12.610 -7.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.181 14.014 -6.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.792 13.480 -6.410 1.00 0.00 H new ATOM 99 N TYR A 7 -5.552 18.524 -5.494 1.00 0.00 N ATOM 100 CA TYR A 7 -4.767 18.253 -4.297 1.00 0.00 C ATOM 101 C TYR A 7 -3.472 19.050 -4.335 1.00 0.00 C ATOM 102 O TYR A 7 -3.261 19.857 -5.235 1.00 0.00 O ATOM 103 CB TYR A 7 -4.440 16.760 -4.163 1.00 0.00 C ATOM 104 CG TYR A 7 -5.599 15.902 -3.708 1.00 0.00 C ATOM 105 CD1 TYR A 7 -6.169 16.082 -2.453 1.00 0.00 C ATOM 106 CD2 TYR A 7 -6.117 14.908 -4.528 1.00 0.00 C ATOM 107 CE1 TYR A 7 -7.221 15.293 -2.028 1.00 0.00 C ATOM 108 CE2 TYR A 7 -7.165 14.115 -4.108 1.00 0.00 C ATOM 109 CZ TYR A 7 -7.715 14.312 -2.860 1.00 0.00 C ATOM 110 OH TYR A 7 -8.757 13.515 -2.442 1.00 0.00 O ATOM 0 H TYR A 7 -4.994 18.640 -6.340 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.364 18.552 -3.435 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.087 16.391 -5.126 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.619 16.643 -3.456 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.784 16.851 -1.800 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.693 14.753 -5.509 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.653 15.444 -1.050 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -7.553 13.342 -4.755 1.00 0.00 H new ATOM 0 HH TYR A 7 -9.517 13.624 -3.051 1.00 0.00 H new ATOM 120 N SER A 8 -2.611 18.821 -3.363 1.00 0.00 N ATOM 121 CA SER A 8 -1.312 19.464 -3.333 1.00 0.00 C ATOM 122 C SER A 8 -0.220 18.417 -3.167 1.00 0.00 C ATOM 123 O SER A 8 -0.293 17.579 -2.269 1.00 0.00 O ATOM 124 CB SER A 8 -1.247 20.488 -2.195 1.00 0.00 C ATOM 125 OG SER A 8 0.059 21.021 -2.057 1.00 0.00 O ATOM 0 H SER A 8 -2.789 18.192 -2.580 1.00 0.00 H new ATOM 0 HA SER A 8 -1.158 19.989 -4.276 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.953 21.295 -2.388 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.550 20.016 -1.260 1.00 0.00 H new ATOM 0 HG SER A 8 0.071 21.673 -1.325 1.00 0.00 H new ATOM 131 N ASN A 9 0.781 18.459 -4.044 1.00 0.00 N ATOM 132 CA ASN A 9 1.909 17.532 -3.968 1.00 0.00 C ATOM 133 C ASN A 9 2.590 17.643 -2.610 1.00 0.00 C ATOM 134 O ASN A 9 2.918 16.635 -1.984 1.00 0.00 O ATOM 135 CB ASN A 9 2.922 17.812 -5.084 1.00 0.00 C ATOM 136 CG ASN A 9 4.143 16.908 -5.004 1.00 0.00 C ATOM 137 OD1 ASN A 9 5.122 17.223 -4.324 1.00 0.00 O ATOM 138 ND2 ASN A 9 4.102 15.790 -5.711 1.00 0.00 N ATOM 0 H ASN A 9 0.834 19.124 -4.815 1.00 0.00 H new ATOM 0 HA ASN A 9 1.526 16.519 -4.095 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.438 17.678 -6.051 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.241 18.853 -5.028 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.899 15.154 -5.706 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.273 15.565 -6.261 1.00 0.00 H new ATOM 145 N THR A 10 2.773 18.879 -2.160 1.00 0.00 N ATOM 146 CA THR A 10 3.376 19.149 -0.865 1.00 0.00 C ATOM 147 C THR A 10 2.547 18.525 0.256 1.00 0.00 C ATOM 148 O THR A 10 3.082 17.912 1.178 1.00 0.00 O ATOM 149 CB THR A 10 3.486 20.666 -0.622 1.00 0.00 C ATOM 150 OG1 THR A 10 4.056 21.304 -1.774 1.00 0.00 O ATOM 151 CG2 THR A 10 4.340 20.958 0.600 1.00 0.00 C ATOM 0 H THR A 10 2.509 19.716 -2.680 1.00 0.00 H new ATOM 0 HA THR A 10 4.373 18.709 -0.866 1.00 0.00 H new ATOM 0 HB THR A 10 2.485 21.059 -0.446 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.122 22.269 -1.615 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.403 22.036 0.751 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.890 20.494 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.341 20.554 0.449 1.00 0.00 H new ATOM 159 N GLN A 11 1.232 18.674 0.149 1.00 0.00 N ATOM 160 CA GLN A 11 0.308 18.136 1.137 1.00 0.00 C ATOM 161 C GLN A 11 0.407 16.615 1.195 1.00 0.00 C ATOM 162 O GLN A 11 0.541 16.035 2.271 1.00 0.00 O ATOM 163 CB GLN A 11 -1.118 18.567 0.798 1.00 0.00 C ATOM 164 CG GLN A 11 -2.171 18.069 1.770 1.00 0.00 C ATOM 165 CD GLN A 11 -3.547 18.589 1.422 1.00 0.00 C ATOM 166 OE1 GLN A 11 -4.288 17.963 0.666 1.00 0.00 O ATOM 167 NE2 GLN A 11 -3.891 19.744 1.964 1.00 0.00 N ATOM 0 H GLN A 11 0.780 19.168 -0.620 1.00 0.00 H new ATOM 0 HA GLN A 11 0.574 18.529 2.118 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.157 19.656 0.765 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.365 18.209 -0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.183 16.979 1.766 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.909 18.381 2.781 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.244 20.228 2.586 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.804 20.151 1.761 1.00 0.00 H new ATOM 176 N VAL A 12 0.354 15.979 0.028 1.00 0.00 N ATOM 177 CA VAL A 12 0.469 14.528 -0.057 1.00 0.00 C ATOM 178 C VAL A 12 1.796 14.063 0.537 1.00 0.00 C ATOM 179 O VAL A 12 1.828 13.146 1.356 1.00 0.00 O ATOM 180 CB VAL A 12 0.361 14.029 -1.517 1.00 0.00 C ATOM 181 CG1 VAL A 12 0.463 12.512 -1.578 1.00 0.00 C ATOM 182 CG2 VAL A 12 -0.941 14.499 -2.149 1.00 0.00 C ATOM 0 H VAL A 12 0.232 16.446 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.358 14.106 0.513 1.00 0.00 H new ATOM 0 HB VAL A 12 1.192 14.452 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.384 12.183 -2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.422 12.195 -1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.345 12.069 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.998 14.138 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.784 14.108 -1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.975 15.588 -2.145 1.00 0.00 H new ATOM 192 N GLU A 13 2.878 14.722 0.138 1.00 0.00 N ATOM 193 CA GLU A 13 4.215 14.381 0.615 1.00 0.00 C ATOM 194 C GLU A 13 4.292 14.535 2.135 1.00 0.00 C ATOM 195 O GLU A 13 4.848 13.680 2.827 1.00 0.00 O ATOM 196 CB GLU A 13 5.251 15.274 -0.084 1.00 0.00 C ATOM 197 CG GLU A 13 6.691 14.769 -0.016 1.00 0.00 C ATOM 198 CD GLU A 13 7.366 15.033 1.316 1.00 0.00 C ATOM 199 OE1 GLU A 13 7.142 16.114 1.897 1.00 0.00 O ATOM 200 OE2 GLU A 13 8.136 14.164 1.782 1.00 0.00 O ATOM 0 H GLU A 13 2.855 15.501 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 13 4.432 13.340 0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.969 15.381 -1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.210 16.269 0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.701 13.697 -0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.271 15.243 -0.808 1.00 0.00 H new ATOM 207 N SER A 14 3.705 15.612 2.647 1.00 0.00 N ATOM 208 CA SER A 14 3.685 15.870 4.079 1.00 0.00 C ATOM 209 C SER A 14 2.919 14.772 4.816 1.00 0.00 C ATOM 210 O SER A 14 3.315 14.350 5.901 1.00 0.00 O ATOM 211 CB SER A 14 3.055 17.238 4.364 1.00 0.00 C ATOM 212 OG SER A 14 3.149 17.574 5.738 1.00 0.00 O ATOM 0 H SER A 14 3.235 16.323 2.086 1.00 0.00 H new ATOM 0 HA SER A 14 4.713 15.874 4.441 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.553 18.001 3.766 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.008 17.229 4.061 1.00 0.00 H new ATOM 0 HG SER A 14 2.740 18.452 5.889 1.00 0.00 H new ATOM 218 N LEU A 15 1.821 14.311 4.221 1.00 0.00 N ATOM 219 CA LEU A 15 1.042 13.225 4.806 1.00 0.00 C ATOM 220 C LEU A 15 1.831 11.923 4.788 1.00 0.00 C ATOM 221 O LEU A 15 1.818 11.174 5.763 1.00 0.00 O ATOM 222 CB LEU A 15 -0.291 13.045 4.079 1.00 0.00 C ATOM 223 CG LEU A 15 -1.490 13.731 4.740 1.00 0.00 C ATOM 224 CD1 LEU A 15 -1.330 15.244 4.736 1.00 0.00 C ATOM 225 CD2 LEU A 15 -2.778 13.327 4.045 1.00 0.00 C ATOM 0 H LEU A 15 1.453 14.670 3.340 1.00 0.00 H new ATOM 0 HA LEU A 15 0.832 13.491 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.188 13.428 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.502 11.979 3.998 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.536 13.404 5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.197 15.703 5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.428 15.516 5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.250 15.599 3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.622 13.822 4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.734 13.622 2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.905 12.247 4.113 1.00 0.00 H new ATOM 237 N ILE A 16 2.522 11.665 3.683 1.00 0.00 N ATOM 238 CA ILE A 16 3.388 10.496 3.577 1.00 0.00 C ATOM 239 C ILE A 16 4.430 10.523 4.687 1.00 0.00 C ATOM 240 O ILE A 16 4.634 9.530 5.385 1.00 0.00 O ATOM 241 CB ILE A 16 4.105 10.436 2.211 1.00 0.00 C ATOM 242 CG1 ILE A 16 3.081 10.390 1.076 1.00 0.00 C ATOM 243 CG2 ILE A 16 5.030 9.225 2.142 1.00 0.00 C ATOM 244 CD1 ILE A 16 3.696 10.522 -0.299 1.00 0.00 C ATOM 0 H ILE A 16 2.499 12.250 2.848 1.00 0.00 H new ATOM 0 HA ILE A 16 2.759 9.611 3.671 1.00 0.00 H new ATOM 0 HB ILE A 16 4.710 11.336 2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.532 9.450 1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.356 11.191 1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.526 9.201 1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.779 9.294 2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.447 8.314 2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.911 10.481 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.221 11.474 -0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.400 9.706 -0.463 1.00 0.00 H new ATOM 256 N ALA A 17 5.061 11.680 4.859 1.00 0.00 N ATOM 257 CA ALA A 17 6.062 11.871 5.900 1.00 0.00 C ATOM 258 C ALA A 17 5.472 11.625 7.289 1.00 0.00 C ATOM 259 O ALA A 17 6.143 11.084 8.161 1.00 0.00 O ATOM 260 CB ALA A 17 6.654 13.272 5.812 1.00 0.00 C ATOM 0 H ALA A 17 4.894 12.506 4.284 1.00 0.00 H new ATOM 0 HA ALA A 17 6.857 11.142 5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.401 13.401 6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.123 13.408 4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.862 14.010 5.940 1.00 0.00 H new ATOM 266 N GLU A 18 4.210 12.002 7.473 1.00 0.00 N ATOM 267 CA GLU A 18 3.528 11.832 8.748 1.00 0.00 C ATOM 268 C GLU A 18 3.328 10.350 9.047 1.00 0.00 C ATOM 269 O GLU A 18 3.655 9.864 10.138 1.00 0.00 O ATOM 270 CB GLU A 18 2.180 12.559 8.705 1.00 0.00 C ATOM 271 CG GLU A 18 1.337 12.374 9.951 1.00 0.00 C ATOM 272 CD GLU A 18 0.006 13.089 9.869 1.00 0.00 C ATOM 273 OE1 GLU A 18 -0.845 12.695 9.040 1.00 0.00 O ATOM 274 OE2 GLU A 18 -0.217 14.023 10.668 1.00 0.00 O ATOM 0 H GLU A 18 3.636 12.431 6.747 1.00 0.00 H new ATOM 0 HA GLU A 18 4.138 12.260 9.544 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.358 13.624 8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.616 12.205 7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.164 11.310 10.112 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.889 12.742 10.816 1.00 0.00 H new ATOM 281 N ILE A 19 2.808 9.636 8.058 1.00 0.00 N ATOM 282 CA ILE A 19 2.610 8.200 8.165 1.00 0.00 C ATOM 283 C ILE A 19 3.953 7.509 8.400 1.00 0.00 C ATOM 284 O ILE A 19 4.051 6.547 9.169 1.00 0.00 O ATOM 285 CB ILE A 19 1.954 7.634 6.886 1.00 0.00 C ATOM 286 CG1 ILE A 19 0.689 8.425 6.545 1.00 0.00 C ATOM 287 CG2 ILE A 19 1.618 6.163 7.068 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.087 8.061 5.205 1.00 0.00 C ATOM 0 H ILE A 19 2.514 10.034 7.166 1.00 0.00 H new ATOM 0 HA ILE A 19 1.945 8.009 9.007 1.00 0.00 H new ATOM 0 HB ILE A 19 2.662 7.730 6.063 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.054 8.258 7.325 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.924 9.489 6.551 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.157 5.780 6.158 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.531 5.604 7.275 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.925 6.048 7.902 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.806 8.662 5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.813 8.254 4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.180 7.004 5.201 1.00 0.00 H new ATOM 300 N LEU A 20 4.989 8.028 7.746 1.00 0.00 N ATOM 301 CA LEU A 20 6.341 7.520 7.916 1.00 0.00 C ATOM 302 C LEU A 20 6.826 7.716 9.348 1.00 0.00 C ATOM 303 O LEU A 20 7.460 6.832 9.904 1.00 0.00 O ATOM 304 CB LEU A 20 7.310 8.195 6.942 1.00 0.00 C ATOM 305 CG LEU A 20 7.135 7.811 5.470 1.00 0.00 C ATOM 306 CD1 LEU A 20 8.111 8.585 4.597 1.00 0.00 C ATOM 307 CD2 LEU A 20 7.328 6.313 5.286 1.00 0.00 C ATOM 0 H LEU A 20 4.913 8.805 7.090 1.00 0.00 H new ATOM 0 HA LEU A 20 6.316 6.452 7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.197 9.275 7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.329 7.954 7.244 1.00 0.00 H new ATOM 0 HG LEU A 20 6.121 8.069 5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.972 8.299 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.929 9.654 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.132 8.357 4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.200 6.056 4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.331 6.033 5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.591 5.775 5.883 1.00 0.00 H new ATOM 319 N VAL A 21 6.515 8.869 9.943 1.00 0.00 N ATOM 320 CA VAL A 21 6.908 9.145 11.328 1.00 0.00 C ATOM 321 C VAL A 21 6.377 8.065 12.261 1.00 0.00 C ATOM 322 O VAL A 21 7.095 7.575 13.138 1.00 0.00 O ATOM 323 CB VAL A 21 6.400 10.524 11.815 1.00 0.00 C ATOM 324 CG1 VAL A 21 6.711 10.727 13.292 1.00 0.00 C ATOM 325 CG2 VAL A 21 7.015 11.645 10.997 1.00 0.00 C ATOM 0 H VAL A 21 5.996 9.623 9.492 1.00 0.00 H new ATOM 0 HA VAL A 21 7.998 9.153 11.348 1.00 0.00 H new ATOM 0 HB VAL A 21 5.319 10.546 11.681 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.344 11.703 13.610 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.223 9.947 13.877 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.789 10.676 13.447 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.643 12.604 11.357 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.100 11.615 11.097 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.744 11.521 9.949 1.00 0.00 H new ATOM 335 N VAL A 22 5.121 7.688 12.063 1.00 0.00 N ATOM 336 CA VAL A 22 4.509 6.633 12.858 1.00 0.00 C ATOM 337 C VAL A 22 5.287 5.325 12.715 1.00 0.00 C ATOM 338 O VAL A 22 5.582 4.655 13.706 1.00 0.00 O ATOM 339 CB VAL A 22 3.035 6.422 12.461 1.00 0.00 C ATOM 340 CG1 VAL A 22 2.389 5.312 13.279 1.00 0.00 C ATOM 341 CG2 VAL A 22 2.273 7.724 12.627 1.00 0.00 C ATOM 0 H VAL A 22 4.507 8.097 11.359 1.00 0.00 H new ATOM 0 HA VAL A 22 4.541 6.945 13.902 1.00 0.00 H new ATOM 0 HB VAL A 22 3.000 6.115 11.416 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.350 5.191 12.972 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.927 4.378 13.114 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.427 5.571 14.337 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.231 7.574 12.346 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.326 8.046 13.667 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.715 8.488 11.987 1.00 0.00 H new ATOM 351 N LEU A 23 5.629 4.968 11.482 1.00 0.00 N ATOM 352 CA LEU A 23 6.459 3.789 11.233 1.00 0.00 C ATOM 353 C LEU A 23 7.851 3.934 11.858 1.00 0.00 C ATOM 354 O LEU A 23 8.378 2.979 12.430 1.00 0.00 O ATOM 355 CB LEU A 23 6.593 3.534 9.731 1.00 0.00 C ATOM 356 CG LEU A 23 5.291 3.195 9.008 1.00 0.00 C ATOM 357 CD1 LEU A 23 5.515 3.138 7.505 1.00 0.00 C ATOM 358 CD2 LEU A 23 4.731 1.873 9.515 1.00 0.00 C ATOM 0 H LEU A 23 5.348 5.473 10.642 1.00 0.00 H new ATOM 0 HA LEU A 23 5.963 2.939 11.701 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.028 4.419 9.266 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.297 2.716 9.579 1.00 0.00 H new ATOM 0 HG LEU A 23 4.565 3.981 9.217 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.577 2.895 7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.873 4.106 7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.256 2.372 7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.803 1.646 8.990 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.455 1.078 9.334 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.534 1.948 10.584 1.00 0.00 H new ATOM 370 N GLU A 24 8.438 5.125 11.741 1.00 0.00 N ATOM 371 CA GLU A 24 9.755 5.403 12.314 1.00 0.00 C ATOM 372 C GLU A 24 9.738 5.198 13.821 1.00 0.00 C ATOM 373 O GLU A 24 10.688 4.670 14.395 1.00 0.00 O ATOM 374 CB GLU A 24 10.205 6.833 11.994 1.00 0.00 C ATOM 375 CG GLU A 24 10.505 7.076 10.524 1.00 0.00 C ATOM 376 CD GLU A 24 11.023 8.477 10.264 1.00 0.00 C ATOM 377 OE1 GLU A 24 12.206 8.739 10.560 1.00 0.00 O ATOM 378 OE2 GLU A 24 10.251 9.327 9.784 1.00 0.00 O ATOM 0 H GLU A 24 8.020 5.916 11.252 1.00 0.00 H new ATOM 0 HA GLU A 24 10.463 4.706 11.866 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.428 7.527 12.315 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.097 7.061 12.578 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.242 6.350 10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.600 6.912 9.939 1.00 0.00 H new ATOM 385 N LYS A 25 8.642 5.610 14.448 1.00 0.00 N ATOM 386 CA LYS A 25 8.444 5.419 15.882 1.00 0.00 C ATOM 387 C LYS A 25 8.484 3.932 16.239 1.00 0.00 C ATOM 388 O LYS A 25 8.880 3.555 17.339 1.00 0.00 O ATOM 389 CB LYS A 25 7.098 6.030 16.302 1.00 0.00 C ATOM 390 CG LYS A 25 6.746 5.826 17.769 1.00 0.00 C ATOM 391 CD LYS A 25 5.351 6.341 18.084 1.00 0.00 C ATOM 392 CE LYS A 25 5.276 7.859 18.018 1.00 0.00 C ATOM 393 NZ LYS A 25 5.978 8.502 19.163 1.00 0.00 N ATOM 0 H LYS A 25 7.869 6.083 13.981 1.00 0.00 H new ATOM 0 HA LYS A 25 9.250 5.920 16.419 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.116 7.099 16.090 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.309 5.597 15.688 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.808 4.766 18.015 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.475 6.341 18.394 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.638 5.912 17.380 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.057 6.006 19.079 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.717 8.204 17.083 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.231 8.171 18.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.776 9.522 19.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.646 8.081 20.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.003 8.352 19.070 1.00 0.00 H new ATOM 407 N HIS A 26 8.087 3.094 15.289 1.00 0.00 N ATOM 408 CA HIS A 26 8.033 1.651 15.511 1.00 0.00 C ATOM 409 C HIS A 26 9.398 1.018 15.294 1.00 0.00 C ATOM 410 O HIS A 26 9.726 0.004 15.910 1.00 0.00 O ATOM 411 CB HIS A 26 7.031 0.983 14.560 1.00 0.00 C ATOM 412 CG HIS A 26 5.642 1.531 14.643 1.00 0.00 C ATOM 413 ND1 HIS A 26 4.751 1.486 13.592 1.00 0.00 N ATOM 414 CD2 HIS A 26 4.990 2.134 15.659 1.00 0.00 C ATOM 415 CE1 HIS A 26 3.613 2.041 13.961 1.00 0.00 C ATOM 416 NE2 HIS A 26 3.733 2.440 15.210 1.00 0.00 N ATOM 0 H HIS A 26 7.797 3.387 14.356 1.00 0.00 H new ATOM 0 HA HIS A 26 7.715 1.498 16.542 1.00 0.00 H new ATOM 0 HB2 HIS A 26 7.391 1.092 13.537 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.001 -0.085 14.775 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.386 2.337 16.643 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.733 2.150 13.344 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.006 2.903 15.756 1.00 0.00 H new ATOM 425 N LYS A 27 10.187 1.635 14.415 1.00 0.00 N ATOM 426 CA LYS A 27 11.438 1.048 13.944 1.00 0.00 C ATOM 427 C LYS A 27 11.154 -0.324 13.344 1.00 0.00 C ATOM 428 O LYS A 27 11.842 -1.307 13.625 1.00 0.00 O ATOM 429 CB LYS A 27 12.470 0.950 15.074 1.00 0.00 C ATOM 430 CG LYS A 27 12.761 2.285 15.738 1.00 0.00 C ATOM 431 CD LYS A 27 14.028 2.236 16.571 1.00 0.00 C ATOM 432 CE LYS A 27 15.257 2.045 15.695 1.00 0.00 C ATOM 433 NZ LYS A 27 16.521 2.225 16.454 1.00 0.00 N ATOM 0 H LYS A 27 9.978 2.549 14.013 1.00 0.00 H new ATOM 0 HA LYS A 27 11.864 1.695 13.177 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.109 0.249 15.826 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.398 0.540 14.675 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.858 3.057 14.975 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.920 2.567 16.372 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.126 3.159 17.143 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.961 1.420 17.291 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.237 1.047 15.257 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.227 2.756 14.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.331 2.086 15.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.554 3.186 16.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.564 1.530 17.226 1.00 0.00 H new ATOM 447 N ALA A 28 10.119 -0.366 12.515 1.00 0.00 N ATOM 448 CA ALA A 28 9.654 -1.604 11.913 1.00 0.00 C ATOM 449 C ALA A 28 10.549 -2.020 10.754 1.00 0.00 C ATOM 450 O ALA A 28 10.944 -1.188 9.937 1.00 0.00 O ATOM 451 CB ALA A 28 8.215 -1.444 11.439 1.00 0.00 C ATOM 0 H ALA A 28 9.581 0.457 12.243 1.00 0.00 H new ATOM 0 HA ALA A 28 9.696 -2.389 12.668 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.874 -2.377 10.989 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.578 -1.197 12.288 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.162 -0.644 10.700 1.00 0.00 H new ATOM 457 N PRO A 29 10.887 -3.318 10.679 1.00 0.00 N ATOM 458 CA PRO A 29 11.691 -3.865 9.584 1.00 0.00 C ATOM 459 C PRO A 29 10.954 -3.791 8.250 1.00 0.00 C ATOM 460 O PRO A 29 9.733 -3.608 8.216 1.00 0.00 O ATOM 461 CB PRO A 29 11.916 -5.329 9.985 1.00 0.00 C ATOM 462 CG PRO A 29 11.573 -5.400 11.435 1.00 0.00 C ATOM 463 CD PRO A 29 10.527 -4.348 11.662 1.00 0.00 C ATOM 0 HA PRO A 29 12.617 -3.308 9.443 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.286 -5.998 9.399 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.949 -5.630 9.810 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.197 -6.388 11.699 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.452 -5.217 12.054 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.521 -4.734 11.494 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.555 -3.963 12.681 1.00 0.00 H new ATOM 471 N THR A 30 11.695 -3.950 7.160 1.00 0.00 N ATOM 472 CA THR A 30 11.136 -3.870 5.815 1.00 0.00 C ATOM 473 C THR A 30 9.994 -4.873 5.633 1.00 0.00 C ATOM 474 O THR A 30 8.984 -4.583 4.994 1.00 0.00 O ATOM 475 CB THR A 30 12.230 -4.148 4.768 1.00 0.00 C ATOM 476 OG1 THR A 30 13.462 -3.541 5.189 1.00 0.00 O ATOM 477 CG2 THR A 30 11.832 -3.599 3.407 1.00 0.00 C ATOM 0 H THR A 30 12.697 -4.137 7.183 1.00 0.00 H new ATOM 0 HA THR A 30 10.743 -2.863 5.676 1.00 0.00 H new ATOM 0 HB THR A 30 12.358 -5.227 4.681 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.159 -3.719 4.523 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.622 -3.808 2.685 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.906 -4.073 3.080 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.682 -2.522 3.479 1.00 0.00 H new ATOM 485 N ASP A 31 10.161 -6.043 6.226 1.00 0.00 N ATOM 486 CA ASP A 31 9.172 -7.111 6.132 1.00 0.00 C ATOM 487 C ASP A 31 7.854 -6.717 6.799 1.00 0.00 C ATOM 488 O ASP A 31 6.774 -6.904 6.230 1.00 0.00 O ATOM 489 CB ASP A 31 9.734 -8.377 6.777 1.00 0.00 C ATOM 490 CG ASP A 31 8.746 -9.523 6.796 1.00 0.00 C ATOM 491 OD1 ASP A 31 8.280 -9.932 5.710 1.00 0.00 O ATOM 492 OD2 ASP A 31 8.465 -10.045 7.895 1.00 0.00 O ATOM 0 H ASP A 31 10.981 -6.282 6.784 1.00 0.00 H new ATOM 0 HA ASP A 31 8.962 -7.295 5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.629 -8.686 6.237 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.040 -8.152 7.799 1.00 0.00 H new ATOM 497 N LEU A 32 7.952 -6.146 7.994 1.00 0.00 N ATOM 498 CA LEU A 32 6.772 -5.798 8.777 1.00 0.00 C ATOM 499 C LEU A 32 6.087 -4.555 8.218 1.00 0.00 C ATOM 500 O LEU A 32 4.858 -4.473 8.196 1.00 0.00 O ATOM 501 CB LEU A 32 7.152 -5.578 10.245 1.00 0.00 C ATOM 502 CG LEU A 32 5.985 -5.280 11.193 1.00 0.00 C ATOM 503 CD1 LEU A 32 4.967 -6.412 11.169 1.00 0.00 C ATOM 504 CD2 LEU A 32 6.500 -5.054 12.606 1.00 0.00 C ATOM 0 H LEU A 32 8.838 -5.914 8.443 1.00 0.00 H new ATOM 0 HA LEU A 32 6.070 -6.629 8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.671 -6.466 10.605 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.860 -4.751 10.298 1.00 0.00 H new ATOM 0 HG LEU A 32 5.488 -4.371 10.853 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.148 -6.179 11.849 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.577 -6.529 10.158 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.446 -7.339 11.483 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.661 -4.843 13.270 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.020 -5.948 12.951 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.188 -4.209 12.612 1.00 0.00 H new ATOM 516 N SER A 33 6.879 -3.595 7.760 1.00 0.00 N ATOM 517 CA SER A 33 6.331 -2.362 7.213 1.00 0.00 C ATOM 518 C SER A 33 5.526 -2.640 5.944 1.00 0.00 C ATOM 519 O SER A 33 4.394 -2.180 5.813 1.00 0.00 O ATOM 520 CB SER A 33 7.449 -1.352 6.943 1.00 0.00 C ATOM 521 OG SER A 33 8.556 -1.974 6.320 1.00 0.00 O ATOM 0 H SER A 33 7.898 -3.646 7.756 1.00 0.00 H new ATOM 0 HA SER A 33 5.653 -1.931 7.950 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.073 -0.550 6.308 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.765 -0.895 7.881 1.00 0.00 H new ATOM 0 HG SER A 33 9.086 -2.449 6.994 1.00 0.00 H new ATOM 527 N LEU A 34 6.102 -3.416 5.029 1.00 0.00 N ATOM 528 CA LEU A 34 5.408 -3.801 3.802 1.00 0.00 C ATOM 529 C LEU A 34 4.124 -4.561 4.127 1.00 0.00 C ATOM 530 O LEU A 34 3.098 -4.382 3.467 1.00 0.00 O ATOM 531 CB LEU A 34 6.313 -4.662 2.917 1.00 0.00 C ATOM 532 CG LEU A 34 7.541 -3.949 2.342 1.00 0.00 C ATOM 533 CD1 LEU A 34 8.425 -4.931 1.590 1.00 0.00 C ATOM 534 CD2 LEU A 34 7.119 -2.810 1.425 1.00 0.00 C ATOM 0 H LEU A 34 7.047 -3.791 5.114 1.00 0.00 H new ATOM 0 HA LEU A 34 5.151 -2.891 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.651 -5.520 3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.720 -5.051 2.090 1.00 0.00 H new ATOM 0 HG LEU A 34 8.112 -3.532 3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.292 -4.406 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.758 -5.715 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.860 -5.376 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.005 -2.316 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.524 -3.207 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.525 -2.090 1.988 1.00 0.00 H new ATOM 546 N MET A 35 4.188 -5.400 5.156 1.00 0.00 N ATOM 547 CA MET A 35 3.030 -6.170 5.592 1.00 0.00 C ATOM 548 C MET A 35 1.923 -5.247 6.101 1.00 0.00 C ATOM 549 O MET A 35 0.755 -5.393 5.727 1.00 0.00 O ATOM 550 CB MET A 35 3.440 -7.153 6.691 1.00 0.00 C ATOM 551 CG MET A 35 2.318 -8.071 7.147 1.00 0.00 C ATOM 552 SD MET A 35 2.835 -9.203 8.455 1.00 0.00 S ATOM 553 CE MET A 35 4.199 -10.048 7.654 1.00 0.00 C ATOM 0 H MET A 35 5.032 -5.564 5.704 1.00 0.00 H new ATOM 0 HA MET A 35 2.646 -6.727 4.737 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.269 -7.761 6.330 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.807 -6.590 7.549 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.482 -7.468 7.503 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.956 -8.647 6.295 1.00 0.00 H new ATOM 0 HE1 MET A 35 4.393 -10.991 8.165 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.944 -10.245 6.613 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.090 -9.422 7.697 1.00 0.00 H new ATOM 563 N ALA A 36 2.297 -4.290 6.941 1.00 0.00 N ATOM 564 CA ALA A 36 1.342 -3.342 7.504 1.00 0.00 C ATOM 565 C ALA A 36 0.760 -2.438 6.422 1.00 0.00 C ATOM 566 O ALA A 36 -0.453 -2.223 6.367 1.00 0.00 O ATOM 567 CB ALA A 36 2.003 -2.509 8.593 1.00 0.00 C ATOM 0 H ALA A 36 3.259 -4.149 7.249 1.00 0.00 H new ATOM 0 HA ALA A 36 0.522 -3.910 7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.278 -1.806 9.004 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.362 -3.165 9.386 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.843 -1.958 8.170 1.00 0.00 H new ATOM 573 N LEU A 37 1.630 -1.926 5.557 1.00 0.00 N ATOM 574 CA LEU A 37 1.214 -1.056 4.460 1.00 0.00 C ATOM 575 C LEU A 37 0.216 -1.763 3.551 1.00 0.00 C ATOM 576 O LEU A 37 -0.805 -1.187 3.174 1.00 0.00 O ATOM 577 CB LEU A 37 2.430 -0.594 3.644 1.00 0.00 C ATOM 578 CG LEU A 37 3.039 0.753 4.054 1.00 0.00 C ATOM 579 CD1 LEU A 37 2.071 1.886 3.760 1.00 0.00 C ATOM 580 CD2 LEU A 37 3.425 0.756 5.526 1.00 0.00 C ATOM 0 H LEU A 37 2.634 -2.100 5.595 1.00 0.00 H new ATOM 0 HA LEU A 37 0.728 -0.182 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.204 -1.358 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.138 -0.535 2.595 1.00 0.00 H new ATOM 0 HG LEU A 37 3.945 0.904 3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.519 2.834 4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.850 1.908 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.148 1.730 4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.854 1.723 5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.539 0.575 6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.159 -0.028 5.711 1.00 0.00 H new ATOM 592 N GLY A 38 0.511 -3.017 3.219 1.00 0.00 N ATOM 593 CA GLY A 38 -0.373 -3.791 2.369 1.00 0.00 C ATOM 594 C GLY A 38 -1.765 -3.921 2.948 1.00 0.00 C ATOM 595 O GLY A 38 -2.758 -3.674 2.263 1.00 0.00 O ATOM 0 H GLY A 38 1.349 -3.511 3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.433 -3.320 1.388 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.049 -4.785 2.220 1.00 0.00 H new ATOM 599 N ASN A 39 -1.837 -4.288 4.221 1.00 0.00 N ATOM 600 CA ASN A 39 -3.120 -4.449 4.900 1.00 0.00 C ATOM 601 C ASN A 39 -3.876 -3.129 4.963 1.00 0.00 C ATOM 602 O ASN A 39 -5.098 -3.099 4.819 1.00 0.00 O ATOM 603 CB ASN A 39 -2.922 -4.999 6.314 1.00 0.00 C ATOM 604 CG ASN A 39 -2.703 -6.501 6.337 1.00 0.00 C ATOM 605 OD1 ASN A 39 -3.653 -7.274 6.448 1.00 0.00 O ATOM 606 ND2 ASN A 39 -1.452 -6.929 6.242 1.00 0.00 N ATOM 0 H ASN A 39 -1.023 -4.480 4.806 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.710 -5.161 4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.066 -4.505 6.774 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.795 -4.755 6.919 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.252 -7.929 6.260 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.689 -6.258 6.151 1.00 0.00 H new ATOM 613 N CYS A 40 -3.143 -2.044 5.170 1.00 0.00 N ATOM 614 CA CYS A 40 -3.741 -0.718 5.239 1.00 0.00 C ATOM 615 C CYS A 40 -4.428 -0.371 3.919 1.00 0.00 C ATOM 616 O CYS A 40 -5.616 -0.038 3.897 1.00 0.00 O ATOM 617 CB CYS A 40 -2.675 0.330 5.577 1.00 0.00 C ATOM 618 SG CYS A 40 -3.322 2.007 5.782 1.00 0.00 S ATOM 0 H CYS A 40 -2.131 -2.056 5.293 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.492 -0.718 6.029 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.168 0.033 6.495 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.924 0.336 4.787 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.473 2.720 6.461 1.00 0.00 H new ATOM 624 N VAL A 41 -3.683 -0.484 2.821 1.00 0.00 N ATOM 625 CA VAL A 41 -4.210 -0.182 1.492 1.00 0.00 C ATOM 626 C VAL A 41 -5.432 -1.044 1.180 1.00 0.00 C ATOM 627 O VAL A 41 -6.452 -0.544 0.700 1.00 0.00 O ATOM 628 CB VAL A 41 -3.142 -0.402 0.399 1.00 0.00 C ATOM 629 CG1 VAL A 41 -3.707 -0.109 -0.985 1.00 0.00 C ATOM 630 CG2 VAL A 41 -1.918 0.459 0.668 1.00 0.00 C ATOM 0 H VAL A 41 -2.708 -0.784 2.826 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.500 0.869 1.495 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.842 -1.450 0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.934 -0.272 -1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.549 -0.772 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.043 0.927 -1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.176 0.291 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.207 1.510 0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.493 0.194 1.636 1.00 0.00 H new ATOM 640 N THR A 42 -5.330 -2.335 1.477 1.00 0.00 N ATOM 641 CA THR A 42 -6.415 -3.273 1.205 1.00 0.00 C ATOM 642 C THR A 42 -7.668 -2.916 2.010 1.00 0.00 C ATOM 643 O THR A 42 -8.784 -2.987 1.498 1.00 0.00 O ATOM 644 CB THR A 42 -6.000 -4.725 1.528 1.00 0.00 C ATOM 645 OG1 THR A 42 -4.683 -4.981 1.031 1.00 0.00 O ATOM 646 CG2 THR A 42 -6.963 -5.719 0.898 1.00 0.00 C ATOM 0 H THR A 42 -4.507 -2.757 1.907 1.00 0.00 H new ATOM 0 HA THR A 42 -6.639 -3.198 0.141 1.00 0.00 H new ATOM 0 HB THR A 42 -6.021 -4.845 2.611 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.023 -4.729 1.710 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.648 -6.734 1.140 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.967 -5.548 1.285 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.964 -5.588 -0.184 1.00 0.00 H new ATOM 654 N HIS A 43 -7.476 -2.510 3.261 1.00 0.00 N ATOM 655 CA HIS A 43 -8.596 -2.180 4.139 1.00 0.00 C ATOM 656 C HIS A 43 -9.237 -0.853 3.732 1.00 0.00 C ATOM 657 O HIS A 43 -10.432 -0.638 3.947 1.00 0.00 O ATOM 658 CB HIS A 43 -8.130 -2.139 5.598 1.00 0.00 C ATOM 659 CG HIS A 43 -9.221 -1.866 6.591 1.00 0.00 C ATOM 660 ND1 HIS A 43 -10.353 -2.644 6.713 1.00 0.00 N ATOM 661 CD2 HIS A 43 -9.336 -0.892 7.524 1.00 0.00 C ATOM 662 CE1 HIS A 43 -11.110 -2.162 7.679 1.00 0.00 C ATOM 663 NE2 HIS A 43 -10.518 -1.098 8.189 1.00 0.00 N ATOM 0 H HIS A 43 -6.557 -2.401 3.690 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.353 -2.958 4.040 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.662 -3.092 5.844 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.363 -1.372 5.700 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -10.570 -3.463 6.145 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.627 -0.099 7.711 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -12.057 -2.570 8.000 1.00 0.00 H new ATOM 672 N LEU A 44 -8.443 0.037 3.145 1.00 0.00 N ATOM 673 CA LEU A 44 -8.977 1.281 2.600 1.00 0.00 C ATOM 674 C LEU A 44 -9.835 0.975 1.381 1.00 0.00 C ATOM 675 O LEU A 44 -10.945 1.495 1.236 1.00 0.00 O ATOM 676 CB LEU A 44 -7.846 2.237 2.214 1.00 0.00 C ATOM 677 CG LEU A 44 -6.969 2.714 3.372 1.00 0.00 C ATOM 678 CD1 LEU A 44 -5.834 3.582 2.855 1.00 0.00 C ATOM 679 CD2 LEU A 44 -7.799 3.476 4.397 1.00 0.00 C ATOM 0 H LEU A 44 -7.436 -0.078 3.035 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.586 1.763 3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.211 1.744 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.281 3.109 1.726 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.541 1.839 3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.219 3.913 3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.222 3.006 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.245 4.451 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.156 3.807 5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.257 4.343 3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.579 2.824 4.791 1.00 0.00 H new ATOM 691 N LEU A 45 -9.311 0.105 0.525 1.00 0.00 N ATOM 692 CA LEU A 45 -10.016 -0.352 -0.666 1.00 0.00 C ATOM 693 C LEU A 45 -11.270 -1.136 -0.275 1.00 0.00 C ATOM 694 O LEU A 45 -12.239 -1.210 -1.029 1.00 0.00 O ATOM 695 CB LEU A 45 -9.079 -1.235 -1.500 1.00 0.00 C ATOM 696 CG LEU A 45 -8.901 -0.821 -2.962 1.00 0.00 C ATOM 697 CD1 LEU A 45 -7.799 -1.640 -3.614 1.00 0.00 C ATOM 698 CD2 LEU A 45 -10.205 -0.984 -3.726 1.00 0.00 C ATOM 0 H LEU A 45 -8.383 -0.304 0.638 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.322 0.512 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.099 -1.245 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.456 -2.257 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.615 0.230 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.685 -1.334 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.861 -1.477 -3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.060 -2.698 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.059 -0.685 -4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.520 -2.027 -3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.973 -0.357 -3.273 1.00 0.00 H new ATOM 710 N GLU A 46 -11.233 -1.713 0.916 1.00 0.00 N ATOM 711 CA GLU A 46 -12.343 -2.495 1.435 1.00 0.00 C ATOM 712 C GLU A 46 -13.514 -1.598 1.831 1.00 0.00 C ATOM 713 O GLU A 46 -14.656 -1.838 1.442 1.00 0.00 O ATOM 714 CB GLU A 46 -11.889 -3.298 2.655 1.00 0.00 C ATOM 715 CG GLU A 46 -12.964 -4.214 3.218 1.00 0.00 C ATOM 716 CD GLU A 46 -12.735 -4.563 4.675 1.00 0.00 C ATOM 717 OE1 GLU A 46 -11.585 -4.450 5.153 1.00 0.00 O ATOM 718 OE2 GLU A 46 -13.720 -4.919 5.359 1.00 0.00 O ATOM 0 H GLU A 46 -10.435 -1.652 1.548 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.674 -3.171 0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.020 -3.897 2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.568 -2.607 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.936 -3.733 3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.997 -5.131 2.630 1.00 0.00 H new ATOM 725 N ARG A 47 -13.226 -0.554 2.597 1.00 0.00 N ATOM 726 CA ARG A 47 -14.281 0.233 3.211 1.00 0.00 C ATOM 727 C ARG A 47 -14.718 1.391 2.323 1.00 0.00 C ATOM 728 O ARG A 47 -15.911 1.661 2.192 1.00 0.00 O ATOM 729 CB ARG A 47 -13.826 0.767 4.574 1.00 0.00 C ATOM 730 CG ARG A 47 -14.972 1.261 5.453 1.00 0.00 C ATOM 731 CD ARG A 47 -15.728 0.109 6.108 1.00 0.00 C ATOM 732 NE ARG A 47 -16.330 -0.799 5.132 1.00 0.00 N ATOM 733 CZ ARG A 47 -16.012 -2.090 5.018 1.00 0.00 C ATOM 734 NH1 ARG A 47 -15.107 -2.631 5.829 1.00 0.00 N ATOM 735 NH2 ARG A 47 -16.609 -2.841 4.103 1.00 0.00 N ATOM 0 H ARG A 47 -12.279 -0.237 2.805 1.00 0.00 H new ATOM 0 HA ARG A 47 -15.138 -0.427 3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.288 -0.021 5.102 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.122 1.584 4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.578 1.921 6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -15.662 1.852 4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.045 -0.452 6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -16.509 0.512 6.753 1.00 0.00 H new ATOM 0 HE ARG A 47 -17.036 -0.422 4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.653 -2.059 6.541 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.867 -3.618 5.739 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.311 -2.432 3.486 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -16.366 -3.828 4.016 1.00 0.00 H new ATOM 749 N LYS A 48 -13.763 2.069 1.705 1.00 0.00 N ATOM 750 CA LYS A 48 -14.068 3.288 0.971 1.00 0.00 C ATOM 751 C LYS A 48 -14.340 3.018 -0.507 1.00 0.00 C ATOM 752 O LYS A 48 -14.741 3.921 -1.247 1.00 0.00 O ATOM 753 CB LYS A 48 -12.935 4.307 1.125 1.00 0.00 C ATOM 754 CG LYS A 48 -12.736 4.781 2.556 1.00 0.00 C ATOM 755 CD LYS A 48 -11.798 5.979 2.621 1.00 0.00 C ATOM 756 CE LYS A 48 -11.684 6.521 4.037 1.00 0.00 C ATOM 757 NZ LYS A 48 -11.060 7.873 4.066 1.00 0.00 N ATOM 0 H LYS A 48 -12.779 1.800 1.696 1.00 0.00 H new ATOM 0 HA LYS A 48 -14.981 3.701 1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.007 3.863 0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.143 5.169 0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.700 5.048 2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.331 3.967 3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.811 5.690 2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.162 6.764 1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.675 6.569 4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.091 5.835 4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.001 8.207 5.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.104 7.823 3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.639 8.535 3.510 1.00 0.00 H new ATOM 771 N VAL A 49 -14.125 1.785 -0.938 1.00 0.00 N ATOM 772 CA VAL A 49 -14.372 1.416 -2.324 1.00 0.00 C ATOM 773 C VAL A 49 -15.355 0.250 -2.411 1.00 0.00 C ATOM 774 O VAL A 49 -15.139 -0.802 -1.800 1.00 0.00 O ATOM 775 CB VAL A 49 -13.064 1.051 -3.059 1.00 0.00 C ATOM 776 CG1 VAL A 49 -13.330 0.748 -4.527 1.00 0.00 C ATOM 777 CG2 VAL A 49 -12.036 2.166 -2.922 1.00 0.00 C ATOM 0 H VAL A 49 -13.781 1.025 -0.351 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.808 2.287 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.659 0.152 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.393 0.494 -5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.021 -0.091 -4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.767 1.624 -5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.123 1.886 -3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.436 3.084 -3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.812 2.327 -1.867 1.00 0.00 H new ATOM 787 N PRO A 50 -16.456 0.430 -3.157 1.00 0.00 N ATOM 788 CA PRO A 50 -17.459 -0.619 -3.368 1.00 0.00 C ATOM 789 C PRO A 50 -16.868 -1.845 -4.064 1.00 0.00 C ATOM 790 O PRO A 50 -15.931 -1.725 -4.852 1.00 0.00 O ATOM 791 CB PRO A 50 -18.510 0.055 -4.259 1.00 0.00 C ATOM 792 CG PRO A 50 -17.816 1.225 -4.868 1.00 0.00 C ATOM 793 CD PRO A 50 -16.813 1.679 -3.849 1.00 0.00 C ATOM 0 HA PRO A 50 -17.865 -0.991 -2.427 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -18.874 -0.630 -5.025 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -19.376 0.370 -3.677 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -17.327 0.947 -5.802 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -18.523 2.021 -5.103 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.945 2.144 -4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -17.237 2.413 -3.164 1.00 0.00 H new ATOM 801 N SER A 51 -17.432 -3.012 -3.768 1.00 0.00 N ATOM 802 CA SER A 51 -16.928 -4.293 -4.266 1.00 0.00 C ATOM 803 C SER A 51 -16.688 -4.304 -5.775 1.00 0.00 C ATOM 804 O SER A 51 -15.664 -4.820 -6.234 1.00 0.00 O ATOM 805 CB SER A 51 -17.905 -5.403 -3.899 1.00 0.00 C ATOM 806 OG SER A 51 -19.248 -4.989 -4.093 1.00 0.00 O ATOM 0 H SER A 51 -18.256 -3.099 -3.173 1.00 0.00 H new ATOM 0 HA SER A 51 -15.960 -4.456 -3.791 1.00 0.00 H new ATOM 0 HB2 SER A 51 -17.702 -6.285 -4.506 1.00 0.00 H new ATOM 0 HB3 SER A 51 -17.757 -5.692 -2.858 1.00 0.00 H new ATOM 0 HG SER A 51 -19.854 -5.720 -3.852 1.00 0.00 H new ATOM 812 N GLU A 52 -17.625 -3.748 -6.537 1.00 0.00 N ATOM 813 CA GLU A 52 -17.519 -3.710 -7.995 1.00 0.00 C ATOM 814 C GLU A 52 -16.196 -3.078 -8.408 1.00 0.00 C ATOM 815 O GLU A 52 -15.449 -3.624 -9.221 1.00 0.00 O ATOM 816 CB GLU A 52 -18.702 -2.919 -8.581 1.00 0.00 C ATOM 817 CG GLU A 52 -18.801 -2.924 -10.105 1.00 0.00 C ATOM 818 CD GLU A 52 -17.771 -2.042 -10.791 1.00 0.00 C ATOM 819 OE1 GLU A 52 -17.511 -0.923 -10.302 1.00 0.00 O ATOM 820 OE2 GLU A 52 -17.233 -2.455 -11.841 1.00 0.00 O ATOM 0 H GLU A 52 -18.471 -3.315 -6.168 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.550 -4.728 -8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -19.627 -3.325 -8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.630 -1.886 -8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -18.686 -3.947 -10.464 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.799 -2.595 -10.396 1.00 0.00 H new ATOM 827 N SER A 53 -15.894 -1.949 -7.799 1.00 0.00 N ATOM 828 CA SER A 53 -14.732 -1.169 -8.183 1.00 0.00 C ATOM 829 C SER A 53 -13.515 -1.599 -7.377 1.00 0.00 C ATOM 830 O SER A 53 -12.385 -1.248 -7.701 1.00 0.00 O ATOM 831 CB SER A 53 -15.016 0.317 -7.972 1.00 0.00 C ATOM 832 OG SER A 53 -16.217 0.700 -8.628 1.00 0.00 O ATOM 0 H SER A 53 -16.438 -1.549 -7.034 1.00 0.00 H new ATOM 0 HA SER A 53 -14.521 -1.342 -9.238 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.095 0.529 -6.906 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.184 0.909 -8.353 1.00 0.00 H new ATOM 0 HG SER A 53 -16.451 0.027 -9.301 1.00 0.00 H new ATOM 838 N ARG A 54 -13.764 -2.379 -6.339 1.00 0.00 N ATOM 839 CA ARG A 54 -12.717 -2.848 -5.448 1.00 0.00 C ATOM 840 C ARG A 54 -11.707 -3.700 -6.214 1.00 0.00 C ATOM 841 O ARG A 54 -10.502 -3.593 -6.001 1.00 0.00 O ATOM 842 CB ARG A 54 -13.353 -3.646 -4.309 1.00 0.00 C ATOM 843 CG ARG A 54 -12.430 -3.942 -3.142 1.00 0.00 C ATOM 844 CD ARG A 54 -13.202 -4.584 -1.998 1.00 0.00 C ATOM 845 NE ARG A 54 -14.261 -3.711 -1.494 1.00 0.00 N ATOM 846 CZ ARG A 54 -15.362 -4.150 -0.884 1.00 0.00 C ATOM 847 NH1 ARG A 54 -15.527 -5.450 -0.656 1.00 0.00 N ATOM 848 NH2 ARG A 54 -16.289 -3.288 -0.493 1.00 0.00 N ATOM 0 H ARG A 54 -14.698 -2.705 -6.090 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.181 -1.995 -5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.218 -3.096 -3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.723 -4.590 -4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.628 -4.606 -3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.961 -3.020 -2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.638 -5.524 -2.337 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.515 -4.825 -1.187 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.151 -2.704 -1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.810 -6.114 -0.948 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.371 -5.783 -0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.160 -2.290 -0.659 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.132 -3.622 -0.026 1.00 0.00 H new ATOM 862 N GLN A 55 -12.209 -4.526 -7.125 1.00 0.00 N ATOM 863 CA GLN A 55 -11.348 -5.368 -7.945 1.00 0.00 C ATOM 864 C GLN A 55 -10.701 -4.548 -9.061 1.00 0.00 C ATOM 865 O GLN A 55 -9.544 -4.770 -9.418 1.00 0.00 O ATOM 866 CB GLN A 55 -12.148 -6.541 -8.522 1.00 0.00 C ATOM 867 CG GLN A 55 -11.326 -7.480 -9.390 1.00 0.00 C ATOM 868 CD GLN A 55 -12.071 -8.755 -9.734 1.00 0.00 C ATOM 869 OE1 GLN A 55 -12.786 -8.824 -10.735 1.00 0.00 O ATOM 870 NE2 GLN A 55 -11.899 -9.775 -8.908 1.00 0.00 N ATOM 0 H GLN A 55 -13.206 -4.630 -7.314 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.553 -5.771 -7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.584 -7.110 -7.701 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.976 -6.148 -9.112 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.046 -6.967 -10.310 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.401 -7.732 -8.872 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.297 -9.673 -8.091 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.368 -10.663 -9.089 1.00 0.00 H new ATOM 879 N ALA A 56 -11.447 -3.584 -9.584 1.00 0.00 N ATOM 880 CA ALA A 56 -10.952 -2.727 -10.654 1.00 0.00 C ATOM 881 C ALA A 56 -9.806 -1.847 -10.164 1.00 0.00 C ATOM 882 O ALA A 56 -8.764 -1.749 -10.815 1.00 0.00 O ATOM 883 CB ALA A 56 -12.080 -1.870 -11.207 1.00 0.00 C ATOM 0 H ALA A 56 -12.399 -3.375 -9.284 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.571 -3.364 -11.452 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.696 -1.235 -12.005 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.866 -2.514 -11.601 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.487 -1.246 -10.411 1.00 0.00 H new ATOM 889 N VAL A 57 -9.997 -1.218 -9.009 1.00 0.00 N ATOM 890 CA VAL A 57 -8.979 -0.347 -8.434 1.00 0.00 C ATOM 891 C VAL A 57 -7.752 -1.149 -8.014 1.00 0.00 C ATOM 892 O VAL A 57 -6.623 -0.684 -8.160 1.00 0.00 O ATOM 893 CB VAL A 57 -9.522 0.449 -7.224 1.00 0.00 C ATOM 894 CG1 VAL A 57 -8.419 1.268 -6.563 1.00 0.00 C ATOM 895 CG2 VAL A 57 -10.664 1.358 -7.652 1.00 0.00 C ATOM 0 H VAL A 57 -10.848 -1.295 -8.453 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.693 0.364 -9.209 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.897 -0.269 -6.495 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.831 1.817 -5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.630 0.602 -6.215 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.006 1.972 -7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.033 1.910 -6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.307 2.060 -8.406 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.471 0.756 -8.070 1.00 0.00 H new ATOM 905 N ALA A 58 -7.975 -2.362 -7.514 1.00 0.00 N ATOM 906 CA ALA A 58 -6.877 -3.236 -7.109 1.00 0.00 C ATOM 907 C ALA A 58 -5.927 -3.479 -8.276 1.00 0.00 C ATOM 908 O ALA A 58 -4.709 -3.349 -8.137 1.00 0.00 O ATOM 909 CB ALA A 58 -7.415 -4.554 -6.578 1.00 0.00 C ATOM 0 H ALA A 58 -8.904 -2.761 -7.380 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.322 -2.743 -6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.584 -5.193 -6.281 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.054 -4.365 -5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.994 -5.051 -7.356 1.00 0.00 H new ATOM 915 N GLU A 59 -6.502 -3.819 -9.426 1.00 0.00 N ATOM 916 CA GLU A 59 -5.737 -4.008 -10.652 1.00 0.00 C ATOM 917 C GLU A 59 -4.949 -2.753 -11.003 1.00 0.00 C ATOM 918 O GLU A 59 -3.731 -2.803 -11.183 1.00 0.00 O ATOM 919 CB GLU A 59 -6.680 -4.362 -11.801 1.00 0.00 C ATOM 920 CG GLU A 59 -7.086 -5.823 -11.835 1.00 0.00 C ATOM 921 CD GLU A 59 -5.999 -6.708 -12.404 1.00 0.00 C ATOM 922 OE1 GLU A 59 -5.875 -6.769 -13.647 1.00 0.00 O ATOM 923 OE2 GLU A 59 -5.266 -7.342 -11.622 1.00 0.00 O ATOM 0 H GLU A 59 -7.505 -3.970 -9.533 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.032 -4.824 -10.493 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.577 -3.747 -11.724 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.199 -4.107 -12.745 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.329 -6.154 -10.825 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.991 -5.933 -12.433 1.00 0.00 H new ATOM 930 N GLN A 60 -5.651 -1.629 -11.083 1.00 0.00 N ATOM 931 CA GLN A 60 -5.043 -0.362 -11.469 1.00 0.00 C ATOM 932 C GLN A 60 -3.930 0.038 -10.502 1.00 0.00 C ATOM 933 O GLN A 60 -2.837 0.418 -10.927 1.00 0.00 O ATOM 934 CB GLN A 60 -6.107 0.734 -11.523 1.00 0.00 C ATOM 935 CG GLN A 60 -7.195 0.473 -12.554 1.00 0.00 C ATOM 936 CD GLN A 60 -8.290 1.521 -12.531 1.00 0.00 C ATOM 937 OE1 GLN A 60 -8.051 2.681 -12.196 1.00 0.00 O ATOM 938 NE2 GLN A 60 -9.501 1.122 -12.893 1.00 0.00 N ATOM 0 H GLN A 60 -6.650 -1.570 -10.884 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.602 -0.488 -12.458 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.566 0.833 -10.539 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.626 1.686 -11.747 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.748 0.443 -13.548 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.634 -0.508 -12.372 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.658 0.151 -13.164 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.276 1.786 -12.901 1.00 0.00 H new ATOM 947 N PHE A 61 -4.208 -0.071 -9.208 1.00 0.00 N ATOM 948 CA PHE A 61 -3.251 0.318 -8.178 1.00 0.00 C ATOM 949 C PHE A 61 -1.987 -0.529 -8.257 1.00 0.00 C ATOM 950 O PHE A 61 -0.876 -0.001 -8.220 1.00 0.00 O ATOM 951 CB PHE A 61 -3.881 0.191 -6.786 1.00 0.00 C ATOM 952 CG PHE A 61 -2.950 0.563 -5.668 1.00 0.00 C ATOM 953 CD1 PHE A 61 -2.719 1.893 -5.358 1.00 0.00 C ATOM 954 CD2 PHE A 61 -2.298 -0.415 -4.936 1.00 0.00 C ATOM 955 CE1 PHE A 61 -1.858 2.240 -4.338 1.00 0.00 C ATOM 956 CE2 PHE A 61 -1.433 -0.075 -3.915 1.00 0.00 C ATOM 957 CZ PHE A 61 -1.213 1.255 -3.616 1.00 0.00 C ATOM 0 H PHE A 61 -5.092 -0.427 -8.846 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.978 1.359 -8.350 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.765 0.826 -6.737 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.217 -0.836 -6.641 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.219 2.667 -5.921 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.468 -1.456 -5.167 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.688 3.281 -4.104 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.930 -0.847 -3.352 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.537 1.525 -2.818 1.00 0.00 H new ATOM 967 N ALA A 62 -2.163 -1.839 -8.378 1.00 0.00 N ATOM 968 CA ALA A 62 -1.035 -2.764 -8.415 1.00 0.00 C ATOM 969 C ALA A 62 -0.111 -2.465 -9.593 1.00 0.00 C ATOM 970 O ALA A 62 1.116 -2.496 -9.465 1.00 0.00 O ATOM 971 CB ALA A 62 -1.539 -4.197 -8.488 1.00 0.00 C ATOM 0 H ALA A 62 -3.077 -2.286 -8.452 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.459 -2.634 -7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.690 -4.880 -8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.151 -4.413 -7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.138 -4.327 -9.389 1.00 0.00 H new ATOM 977 N LYS A 63 -0.708 -2.155 -10.735 1.00 0.00 N ATOM 978 CA LYS A 63 0.053 -1.887 -11.948 1.00 0.00 C ATOM 979 C LYS A 63 0.693 -0.506 -11.889 1.00 0.00 C ATOM 980 O LYS A 63 1.815 -0.311 -12.360 1.00 0.00 O ATOM 981 CB LYS A 63 -0.861 -2.020 -13.168 1.00 0.00 C ATOM 982 CG LYS A 63 -1.491 -3.398 -13.270 1.00 0.00 C ATOM 983 CD LYS A 63 -2.586 -3.455 -14.318 1.00 0.00 C ATOM 984 CE LYS A 63 -3.325 -4.781 -14.249 1.00 0.00 C ATOM 985 NZ LYS A 63 -4.411 -4.877 -15.257 1.00 0.00 N ATOM 0 H LYS A 63 -1.719 -2.083 -10.847 1.00 0.00 H new ATOM 0 HA LYS A 63 0.857 -2.618 -12.033 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.647 -1.267 -13.114 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.287 -1.818 -14.072 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.721 -4.130 -13.513 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.904 -3.679 -12.301 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.286 -2.634 -14.165 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.154 -3.325 -15.310 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.618 -5.596 -14.402 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.746 -4.908 -13.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.148 -5.526 -14.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.824 -3.935 -15.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.023 -5.237 -16.152 1.00 0.00 H new ATOM 999 N ALA A 64 -0.012 0.445 -11.288 1.00 0.00 N ATOM 1000 CA ALA A 64 0.526 1.785 -11.094 1.00 0.00 C ATOM 1001 C ALA A 64 1.700 1.753 -10.122 1.00 0.00 C ATOM 1002 O ALA A 64 2.671 2.491 -10.280 1.00 0.00 O ATOM 1003 CB ALA A 64 -0.557 2.728 -10.589 1.00 0.00 C ATOM 0 H ALA A 64 -0.957 0.313 -10.927 1.00 0.00 H new ATOM 0 HA ALA A 64 0.883 2.154 -12.055 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.136 3.724 -10.450 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.367 2.775 -11.317 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.944 2.362 -9.638 1.00 0.00 H new ATOM 1009 N LEU A 65 1.600 0.886 -9.121 1.00 0.00 N ATOM 1010 CA LEU A 65 2.658 0.708 -8.136 1.00 0.00 C ATOM 1011 C LEU A 65 3.951 0.278 -8.824 1.00 0.00 C ATOM 1012 O LEU A 65 5.009 0.870 -8.612 1.00 0.00 O ATOM 1013 CB LEU A 65 2.241 -0.345 -7.107 1.00 0.00 C ATOM 1014 CG LEU A 65 3.108 -0.424 -5.852 1.00 0.00 C ATOM 1015 CD1 LEU A 65 2.904 0.811 -4.990 1.00 0.00 C ATOM 1016 CD2 LEU A 65 2.789 -1.682 -5.061 1.00 0.00 C ATOM 0 H LEU A 65 0.787 0.289 -8.970 1.00 0.00 H new ATOM 0 HA LEU A 65 2.828 1.657 -7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.213 -0.144 -6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.245 -1.321 -7.591 1.00 0.00 H new ATOM 0 HG LEU A 65 4.154 -0.466 -6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.528 0.740 -4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.180 1.700 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.857 0.880 -4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.417 -1.721 -4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.740 -1.670 -4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.981 -2.559 -5.679 1.00 0.00 H new ATOM 1028 N ALA A 66 3.846 -0.743 -9.670 1.00 0.00 N ATOM 1029 CA ALA A 66 4.996 -1.249 -10.409 1.00 0.00 C ATOM 1030 C ALA A 66 5.564 -0.181 -11.334 1.00 0.00 C ATOM 1031 O ALA A 66 6.779 -0.043 -11.464 1.00 0.00 O ATOM 1032 CB ALA A 66 4.615 -2.487 -11.206 1.00 0.00 C ATOM 0 H ALA A 66 2.974 -1.236 -9.860 1.00 0.00 H new ATOM 0 HA ALA A 66 5.766 -1.520 -9.687 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.486 -2.851 -11.751 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.262 -3.263 -10.527 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.824 -2.236 -11.912 1.00 0.00 H new ATOM 1038 N GLN A 67 4.680 0.587 -11.961 1.00 0.00 N ATOM 1039 CA GLN A 67 5.104 1.645 -12.870 1.00 0.00 C ATOM 1040 C GLN A 67 5.813 2.761 -12.104 1.00 0.00 C ATOM 1041 O GLN A 67 6.715 3.408 -12.632 1.00 0.00 O ATOM 1042 CB GLN A 67 3.905 2.196 -13.647 1.00 0.00 C ATOM 1043 CG GLN A 67 4.287 3.183 -14.739 1.00 0.00 C ATOM 1044 CD GLN A 67 3.139 3.500 -15.679 1.00 0.00 C ATOM 1045 OE1 GLN A 67 3.052 4.602 -16.221 1.00 0.00 O ATOM 1046 NE2 GLN A 67 2.262 2.531 -15.894 1.00 0.00 N ATOM 0 H GLN A 67 3.669 0.497 -11.857 1.00 0.00 H new ATOM 0 HA GLN A 67 5.810 1.223 -13.585 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.360 1.365 -14.095 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.224 2.684 -12.950 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.639 4.107 -14.279 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.119 2.776 -15.314 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.370 1.632 -15.425 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.478 2.684 -16.529 1.00 0.00 H new ATOM 1055 N SER A 68 5.421 2.964 -10.853 1.00 0.00 N ATOM 1056 CA SER A 68 6.078 3.943 -10.001 1.00 0.00 C ATOM 1057 C SER A 68 7.515 3.511 -9.710 1.00 0.00 C ATOM 1058 O SER A 68 8.424 4.339 -9.642 1.00 0.00 O ATOM 1059 CB SER A 68 5.300 4.115 -8.696 1.00 0.00 C ATOM 1060 OG SER A 68 3.961 4.509 -8.952 1.00 0.00 O ATOM 0 H SER A 68 4.652 2.464 -10.407 1.00 0.00 H new ATOM 0 HA SER A 68 6.101 4.901 -10.521 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.307 3.179 -8.138 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.790 4.862 -8.072 1.00 0.00 H new ATOM 0 HG SER A 68 3.494 3.791 -9.429 1.00 0.00 H new ATOM 1066 N VAL A 69 7.712 2.205 -9.563 1.00 0.00 N ATOM 1067 CA VAL A 69 9.042 1.643 -9.341 1.00 0.00 C ATOM 1068 C VAL A 69 9.884 1.735 -10.615 1.00 0.00 C ATOM 1069 O VAL A 69 11.111 1.882 -10.563 1.00 0.00 O ATOM 1070 CB VAL A 69 8.958 0.167 -8.894 1.00 0.00 C ATOM 1071 CG1 VAL A 69 10.345 -0.413 -8.658 1.00 0.00 C ATOM 1072 CG2 VAL A 69 8.104 0.031 -7.644 1.00 0.00 C ATOM 0 H VAL A 69 6.964 1.512 -9.594 1.00 0.00 H new ATOM 0 HA VAL A 69 9.514 2.225 -8.549 1.00 0.00 H new ATOM 0 HB VAL A 69 8.486 -0.399 -9.697 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.256 -1.453 -8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.923 -0.361 -9.581 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.851 0.159 -7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.058 -1.017 -7.347 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.543 0.618 -6.838 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.097 0.394 -7.850 1.00 0.00 H new ATOM 1082 N LYS A 70 9.208 1.682 -11.760 1.00 0.00 N ATOM 1083 CA LYS A 70 9.870 1.715 -13.063 1.00 0.00 C ATOM 1084 C LYS A 70 10.560 3.055 -13.329 1.00 0.00 C ATOM 1085 O LYS A 70 11.289 3.195 -14.311 1.00 0.00 O ATOM 1086 CB LYS A 70 8.867 1.419 -14.184 1.00 0.00 C ATOM 1087 CG LYS A 70 8.438 -0.038 -14.261 1.00 0.00 C ATOM 1088 CD LYS A 70 9.631 -0.951 -14.489 1.00 0.00 C ATOM 1089 CE LYS A 70 9.203 -2.398 -14.673 1.00 0.00 C ATOM 1090 NZ LYS A 70 8.432 -2.603 -15.929 1.00 0.00 N ATOM 0 H LYS A 70 8.192 1.615 -11.812 1.00 0.00 H new ATOM 0 HA LYS A 70 10.639 0.942 -13.047 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.983 2.040 -14.040 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.308 1.708 -15.138 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.932 -0.320 -13.338 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.719 -0.166 -15.070 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.181 -0.619 -15.370 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.313 -0.878 -13.642 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.086 -3.037 -14.683 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.596 -2.706 -13.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.337 -3.622 -16.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.487 -2.180 -15.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.932 -2.151 -16.721 1.00 0.00 H new ATOM 1104 N SER A 71 10.333 4.027 -12.449 1.00 0.00 N ATOM 1105 CA SER A 71 10.973 5.336 -12.558 1.00 0.00 C ATOM 1106 C SER A 71 12.495 5.205 -12.489 1.00 0.00 C ATOM 1107 O SER A 71 13.227 5.993 -13.087 1.00 0.00 O ATOM 1108 CB SER A 71 10.484 6.257 -11.436 1.00 0.00 C ATOM 1109 OG SER A 71 9.067 6.324 -11.408 1.00 0.00 O ATOM 0 H SER A 71 9.708 3.932 -11.649 1.00 0.00 H new ATOM 0 HA SER A 71 10.704 5.766 -13.523 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.852 5.893 -10.477 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.895 7.257 -11.577 1.00 0.00 H new ATOM 0 HG SER A 71 8.727 5.758 -10.684 1.00 0.00 H new ATOM 1115 N ASN A 72 12.963 4.199 -11.757 1.00 0.00 N ATOM 1116 CA ASN A 72 14.396 3.965 -11.608 1.00 0.00 C ATOM 1117 C ASN A 72 14.968 3.332 -12.867 1.00 0.00 C ATOM 1118 O ASN A 72 16.050 3.700 -13.324 1.00 0.00 O ATOM 1119 CB ASN A 72 14.686 3.064 -10.404 1.00 0.00 C ATOM 1120 CG ASN A 72 14.187 3.646 -9.098 1.00 0.00 C ATOM 1121 OD1 ASN A 72 14.884 4.420 -8.439 1.00 0.00 O ATOM 1122 ND2 ASN A 72 12.981 3.269 -8.710 1.00 0.00 N ATOM 0 H ASN A 72 12.372 3.534 -11.258 1.00 0.00 H new ATOM 0 HA ASN A 72 14.873 4.931 -11.443 1.00 0.00 H new ATOM 0 HB2 ASN A 72 14.220 2.092 -10.564 1.00 0.00 H new ATOM 0 HB3 ASN A 72 15.761 2.895 -10.334 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.594 3.621 -7.834 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.438 2.626 -9.286 1.00 0.00 H new ATOM 1129 N LEU A 73 14.228 2.387 -13.430 1.00 0.00 N ATOM 1130 CA LEU A 73 14.668 1.677 -14.621 1.00 0.00 C ATOM 1131 C LEU A 73 14.644 2.604 -15.829 1.00 0.00 C ATOM 1132 O LEU A 73 15.678 2.866 -16.448 1.00 0.00 O ATOM 1133 CB LEU A 73 13.788 0.445 -14.889 1.00 0.00 C ATOM 1134 CG LEU A 73 13.895 -0.695 -13.865 1.00 0.00 C ATOM 1135 CD1 LEU A 73 13.166 -0.353 -12.573 1.00 0.00 C ATOM 1136 CD2 LEU A 73 13.352 -1.986 -14.457 1.00 0.00 C ATOM 0 H LEU A 73 13.316 2.094 -13.079 1.00 0.00 H new ATOM 0 HA LEU A 73 15.690 1.338 -14.450 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.748 0.769 -14.935 1.00 0.00 H new ATOM 0 HB3 LEU A 73 14.042 0.049 -15.872 1.00 0.00 H new ATOM 0 HG LEU A 73 14.949 -0.832 -13.624 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.262 -1.181 -11.871 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.602 0.545 -12.136 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.111 -0.178 -12.786 1.00 0.00 H new ATOM 0 HD21 LEU A 73 13.434 -2.786 -13.721 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.306 -1.849 -14.730 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.927 -2.249 -15.345 1.00 0.00 H new ATOM 1148 N GLU A 74 13.464 3.123 -16.142 1.00 0.00 N ATOM 1149 CA GLU A 74 13.295 3.988 -17.299 1.00 0.00 C ATOM 1150 C GLU A 74 13.301 5.456 -16.896 1.00 0.00 C ATOM 1151 O GLU A 74 12.258 6.045 -16.614 1.00 0.00 O ATOM 1152 CB GLU A 74 12.005 3.657 -18.060 1.00 0.00 C ATOM 1153 CG GLU A 74 12.171 2.582 -19.127 1.00 0.00 C ATOM 1154 CD GLU A 74 12.679 1.264 -18.577 1.00 0.00 C ATOM 1155 OE1 GLU A 74 11.870 0.501 -18.003 1.00 0.00 O ATOM 1156 OE2 GLU A 74 13.886 0.979 -18.730 1.00 0.00 O ATOM 0 H GLU A 74 12.610 2.959 -15.609 1.00 0.00 H new ATOM 0 HA GLU A 74 14.142 3.807 -17.961 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.248 3.332 -17.346 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.630 4.566 -18.530 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.212 2.417 -19.619 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.863 2.940 -19.889 1.00 0.00 H new ATOM 1163 N HIS A 75 14.488 6.036 -16.867 1.00 0.00 N ATOM 1164 CA HIS A 75 14.635 7.456 -16.581 1.00 0.00 C ATOM 1165 C HIS A 75 14.937 8.209 -17.867 1.00 0.00 C ATOM 1166 O HIS A 75 15.415 9.342 -17.842 1.00 0.00 O ATOM 1167 CB HIS A 75 15.720 7.709 -15.522 1.00 0.00 C ATOM 1168 CG HIS A 75 16.986 6.934 -15.720 1.00 0.00 C ATOM 1169 ND1 HIS A 75 17.373 5.913 -14.879 1.00 0.00 N ATOM 1170 CD2 HIS A 75 17.957 7.035 -16.658 1.00 0.00 C ATOM 1171 CE1 HIS A 75 18.526 5.421 -15.289 1.00 0.00 C ATOM 1172 NE2 HIS A 75 18.901 6.084 -16.368 1.00 0.00 N ATOM 0 H HIS A 75 15.366 5.546 -17.038 1.00 0.00 H new ATOM 0 HA HIS A 75 13.696 7.825 -16.168 1.00 0.00 H new ATOM 0 HB2 HIS A 75 15.959 8.772 -15.515 1.00 0.00 H new ATOM 0 HB3 HIS A 75 15.313 7.467 -14.540 1.00 0.00 H new ATOM 0 HD1 HIS A 75 16.849 5.588 -14.066 1.00 0.00 H new ATOM 0 HD2 HIS A 75 17.983 7.734 -17.481 1.00 0.00 H new ATOM 0 HE1 HIS A 75 19.071 4.614 -14.822 1.00 0.00 H new ATOM 1181 N HIS A 76 14.656 7.543 -18.989 1.00 0.00 N ATOM 1182 CA HIS A 76 14.735 8.136 -20.327 1.00 0.00 C ATOM 1183 C HIS A 76 16.182 8.377 -20.769 1.00 0.00 C ATOM 1184 O HIS A 76 16.667 7.712 -21.686 1.00 0.00 O ATOM 1185 CB HIS A 76 13.923 9.441 -20.395 1.00 0.00 C ATOM 1186 CG HIS A 76 13.903 10.080 -21.752 1.00 0.00 C ATOM 1187 ND1 HIS A 76 14.501 11.290 -22.022 1.00 0.00 N ATOM 1188 CD2 HIS A 76 13.352 9.668 -22.918 1.00 0.00 C ATOM 1189 CE1 HIS A 76 14.321 11.595 -23.291 1.00 0.00 C ATOM 1190 NE2 HIS A 76 13.627 10.628 -23.860 1.00 0.00 N ATOM 0 H HIS A 76 14.364 6.566 -18.995 1.00 0.00 H new ATOM 0 HA HIS A 76 14.301 7.417 -21.021 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.898 9.235 -20.087 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.335 10.150 -19.677 1.00 0.00 H new ATOM 0 HD2 HIS A 76 12.799 8.754 -23.077 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.681 12.487 -23.783 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.342 10.598 -24.839 1.00 0.00 H new ATOM 1199 N HIS A 77 16.856 9.320 -20.109 1.00 0.00 N ATOM 1200 CA HIS A 77 18.204 9.754 -20.487 1.00 0.00 C ATOM 1201 C HIS A 77 18.174 10.439 -21.855 1.00 0.00 C ATOM 1202 O HIS A 77 18.162 11.662 -21.939 1.00 0.00 O ATOM 1203 CB HIS A 77 19.200 8.577 -20.489 1.00 0.00 C ATOM 1204 CG HIS A 77 20.643 8.978 -20.660 1.00 0.00 C ATOM 1205 ND1 HIS A 77 21.653 8.486 -19.863 1.00 0.00 N ATOM 1206 CD2 HIS A 77 21.245 9.797 -21.556 1.00 0.00 C ATOM 1207 CE1 HIS A 77 22.809 8.987 -20.261 1.00 0.00 C ATOM 1208 NE2 HIS A 77 22.589 9.784 -21.288 1.00 0.00 N ATOM 0 H HIS A 77 16.482 9.807 -19.294 1.00 0.00 H new ATOM 0 HA HIS A 77 18.547 10.470 -19.741 1.00 0.00 H new ATOM 0 HB2 HIS A 77 19.097 8.029 -19.552 1.00 0.00 H new ATOM 0 HB3 HIS A 77 18.930 7.890 -21.291 1.00 0.00 H new ATOM 0 HD2 HIS A 77 20.755 10.358 -22.338 1.00 0.00 H new ATOM 0 HE1 HIS A 77 23.772 8.779 -19.819 1.00 0.00 H new ATOM 0 HE2 HIS A 77 23.302 10.305 -21.799 1.00 0.00 H new ATOM 1217 N HIS A 78 18.120 9.640 -22.914 1.00 0.00 N ATOM 1218 CA HIS A 78 18.155 10.156 -24.278 1.00 0.00 C ATOM 1219 C HIS A 78 17.916 9.012 -25.256 1.00 0.00 C ATOM 1220 O HIS A 78 17.071 9.108 -26.148 1.00 0.00 O ATOM 1221 CB HIS A 78 19.508 10.823 -24.558 1.00 0.00 C ATOM 1222 CG HIS A 78 19.525 11.700 -25.772 1.00 0.00 C ATOM 1223 ND1 HIS A 78 20.491 11.613 -26.748 1.00 0.00 N ATOM 1224 CD2 HIS A 78 18.708 12.712 -26.145 1.00 0.00 C ATOM 1225 CE1 HIS A 78 20.270 12.534 -27.668 1.00 0.00 C ATOM 1226 NE2 HIS A 78 19.192 13.213 -27.326 1.00 0.00 N ATOM 0 H HIS A 78 18.051 8.624 -22.853 1.00 0.00 H new ATOM 0 HA HIS A 78 17.372 10.904 -24.402 1.00 0.00 H new ATOM 0 HB2 HIS A 78 19.792 11.418 -23.690 1.00 0.00 H new ATOM 0 HB3 HIS A 78 20.265 10.047 -24.674 1.00 0.00 H new ATOM 0 HD2 HIS A 78 17.836 13.061 -25.611 1.00 0.00 H new ATOM 0 HE1 HIS A 78 20.870 12.703 -28.550 1.00 0.00 H new ATOM 0 HE2 HIS A 78 18.785 13.985 -27.854 1.00 0.00 H new ATOM 1235 N HIS A 79 18.686 7.937 -25.067 1.00 0.00 N ATOM 1236 CA HIS A 79 18.558 6.693 -25.832 1.00 0.00 C ATOM 1237 C HIS A 79 19.110 6.854 -27.248 1.00 0.00 C ATOM 1238 O HIS A 79 20.078 6.188 -27.621 1.00 0.00 O ATOM 1239 CB HIS A 79 17.107 6.193 -25.863 1.00 0.00 C ATOM 1240 CG HIS A 79 16.965 4.789 -26.375 1.00 0.00 C ATOM 1241 ND1 HIS A 79 15.844 4.339 -27.034 1.00 0.00 N ATOM 1242 CD2 HIS A 79 17.804 3.727 -26.300 1.00 0.00 C ATOM 1243 CE1 HIS A 79 15.998 3.065 -27.342 1.00 0.00 C ATOM 1244 NE2 HIS A 79 17.178 2.669 -26.908 1.00 0.00 N ATOM 0 H HIS A 79 19.428 7.906 -24.367 1.00 0.00 H new ATOM 0 HA HIS A 79 19.155 5.938 -25.321 1.00 0.00 H new ATOM 0 HB2 HIS A 79 16.691 6.247 -24.857 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.515 6.861 -26.489 1.00 0.00 H new ATOM 0 HD2 HIS A 79 18.784 3.716 -25.846 1.00 0.00 H new ATOM 0 HE1 HIS A 79 15.278 2.450 -27.862 1.00 0.00 H new ATOM 0 HE2 HIS A 79 17.563 1.730 -27.008 1.00 0.00 H new ATOM 1253 N HIS A 80 18.504 7.724 -28.034 1.00 0.00 N ATOM 1254 CA HIS A 80 18.989 7.982 -29.378 1.00 0.00 C ATOM 1255 C HIS A 80 19.754 9.296 -29.390 1.00 0.00 C ATOM 1256 O HIS A 80 19.148 10.337 -29.710 1.00 0.00 O ATOM 1257 CB HIS A 80 17.827 8.030 -30.379 1.00 0.00 C ATOM 1258 CG HIS A 80 18.255 7.976 -31.819 1.00 0.00 C ATOM 1259 ND1 HIS A 80 17.374 7.754 -32.854 1.00 0.00 N ATOM 1260 CD2 HIS A 80 19.475 8.113 -32.397 1.00 0.00 C ATOM 1261 CE1 HIS A 80 18.028 7.755 -34.000 1.00 0.00 C ATOM 1262 NE2 HIS A 80 19.307 7.970 -33.752 1.00 0.00 N ATOM 1263 OXT HIS A 80 20.955 9.281 -29.051 1.00 0.00 O ATOM 0 H HIS A 80 17.679 8.262 -27.768 1.00 0.00 H new ATOM 0 HA HIS A 80 19.653 7.171 -29.678 1.00 0.00 H new ATOM 0 HB2 HIS A 80 17.155 7.195 -30.179 1.00 0.00 H new ATOM 0 HB3 HIS A 80 17.257 8.945 -30.214 1.00 0.00 H new ATOM 0 HD2 HIS A 80 20.407 8.300 -31.885 1.00 0.00 H new ATOM 0 HE1 HIS A 80 17.591 7.605 -34.976 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.048 8.021 -34.451 1.00 0.00 H new TER 1272 HIS A 80 ATOM 1273 N MET B 1 0.637 -25.031 14.758 1.00 0.00 N ATOM 1274 CA MET B 1 0.261 -25.188 13.333 1.00 0.00 C ATOM 1275 C MET B 1 0.930 -24.120 12.468 1.00 0.00 C ATOM 1276 O MET B 1 1.228 -24.359 11.298 1.00 0.00 O ATOM 1277 CB MET B 1 -1.272 -25.163 13.175 1.00 0.00 C ATOM 1278 CG MET B 1 -1.954 -23.914 13.722 1.00 0.00 C ATOM 1279 SD MET B 1 -1.922 -22.526 12.570 1.00 0.00 S ATOM 1280 CE MET B 1 -2.653 -21.236 13.577 1.00 0.00 C ATOM 0 H1 MET B 1 0.105 -25.713 15.335 1.00 0.00 H new ATOM 0 H2 MET B 1 1.656 -25.204 14.869 1.00 0.00 H new ATOM 0 H3 MET B 1 0.414 -24.065 15.071 1.00 0.00 H new ATOM 0 HA MET B 1 0.619 -26.158 12.987 1.00 0.00 H new ATOM 0 HB2 MET B 1 -1.515 -25.258 12.117 1.00 0.00 H new ATOM 0 HB3 MET B 1 -1.689 -26.036 13.677 1.00 0.00 H new ATOM 0 HG2 MET B 1 -2.989 -24.151 13.967 1.00 0.00 H new ATOM 0 HG3 MET B 1 -1.466 -23.618 14.651 1.00 0.00 H new ATOM 0 HE1 MET B 1 -2.703 -20.311 13.003 1.00 0.00 H new ATOM 0 HE2 MET B 1 -3.659 -21.533 13.875 1.00 0.00 H new ATOM 0 HE3 MET B 1 -2.043 -21.079 14.466 1.00 0.00 H new ATOM 1292 N ALA B 2 1.185 -22.950 13.045 1.00 0.00 N ATOM 1293 CA ALA B 2 1.876 -21.883 12.335 1.00 0.00 C ATOM 1294 C ALA B 2 3.313 -21.761 12.830 1.00 0.00 C ATOM 1295 O ALA B 2 3.714 -22.462 13.761 1.00 0.00 O ATOM 1296 CB ALA B 2 1.137 -20.562 12.505 1.00 0.00 C ATOM 0 H ALA B 2 0.923 -22.718 14.003 1.00 0.00 H new ATOM 0 HA ALA B 2 1.896 -22.129 11.273 1.00 0.00 H new ATOM 0 HB1 ALA B 2 1.668 -19.776 11.968 1.00 0.00 H new ATOM 0 HB2 ALA B 2 0.127 -20.656 12.106 1.00 0.00 H new ATOM 0 HB3 ALA B 2 1.086 -20.307 13.564 1.00 0.00 H new ATOM 1302 N ILE B 3 4.083 -20.869 12.221 1.00 0.00 N ATOM 1303 CA ILE B 3 5.488 -20.703 12.583 1.00 0.00 C ATOM 1304 C ILE B 3 5.631 -19.776 13.798 1.00 0.00 C ATOM 1305 O ILE B 3 6.299 -18.743 13.738 1.00 0.00 O ATOM 1306 CB ILE B 3 6.325 -20.159 11.396 1.00 0.00 C ATOM 1307 CG1 ILE B 3 6.032 -20.962 10.122 1.00 0.00 C ATOM 1308 CG2 ILE B 3 7.817 -20.210 11.715 1.00 0.00 C ATOM 1309 CD1 ILE B 3 6.391 -22.432 10.227 1.00 0.00 C ATOM 0 H ILE B 3 3.762 -20.250 11.476 1.00 0.00 H new ATOM 0 HA ILE B 3 5.874 -21.689 12.843 1.00 0.00 H new ATOM 0 HB ILE B 3 6.042 -19.119 11.231 1.00 0.00 H new ATOM 0 HG12 ILE B 3 4.972 -20.873 9.884 1.00 0.00 H new ATOM 0 HG13 ILE B 3 6.584 -20.522 9.291 1.00 0.00 H new ATOM 0 HG21 ILE B 3 8.384 -19.823 10.868 1.00 0.00 H new ATOM 0 HG22 ILE B 3 8.022 -19.602 12.596 1.00 0.00 H new ATOM 0 HG23 ILE B 3 8.113 -21.241 11.909 1.00 0.00 H new ATOM 0 HD11 ILE B 3 6.155 -22.932 9.288 1.00 0.00 H new ATOM 0 HD12 ILE B 3 7.456 -22.532 10.434 1.00 0.00 H new ATOM 0 HD13 ILE B 3 5.820 -22.889 11.035 1.00 0.00 H new ATOM 1321 N GLN B 4 4.942 -20.144 14.881 1.00 0.00 N ATOM 1322 CA GLN B 4 5.073 -19.486 16.189 1.00 0.00 C ATOM 1323 C GLN B 4 4.655 -18.014 16.179 1.00 0.00 C ATOM 1324 O GLN B 4 4.774 -17.337 17.199 1.00 0.00 O ATOM 1325 CB GLN B 4 6.509 -19.604 16.699 1.00 0.00 C ATOM 1326 CG GLN B 4 6.978 -21.034 16.890 1.00 0.00 C ATOM 1327 CD GLN B 4 6.232 -21.768 17.988 1.00 0.00 C ATOM 1328 OE1 GLN B 4 5.054 -21.516 18.250 1.00 0.00 O ATOM 1329 NE2 GLN B 4 6.922 -22.680 18.646 1.00 0.00 N ATOM 0 H GLN B 4 4.272 -20.913 14.878 1.00 0.00 H new ATOM 0 HA GLN B 4 4.387 -20.006 16.858 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.176 -19.104 15.997 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.592 -19.075 17.648 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.857 -21.577 15.953 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.043 -21.032 17.122 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.895 -22.860 18.399 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.482 -23.205 19.402 1.00 0.00 H new ATOM 1338 N SER B 5 4.151 -17.539 15.045 1.00 0.00 N ATOM 1339 CA SER B 5 3.764 -16.140 14.888 1.00 0.00 C ATOM 1340 C SER B 5 4.954 -15.214 15.160 1.00 0.00 C ATOM 1341 O SER B 5 5.136 -14.736 16.280 1.00 0.00 O ATOM 1342 CB SER B 5 2.598 -15.796 15.820 1.00 0.00 C ATOM 1343 OG SER B 5 1.581 -16.782 15.747 1.00 0.00 O ATOM 0 H SER B 5 4.000 -18.109 14.213 1.00 0.00 H new ATOM 0 HA SER B 5 3.441 -15.991 13.858 1.00 0.00 H new ATOM 0 HB2 SER B 5 2.959 -15.716 16.845 1.00 0.00 H new ATOM 0 HB3 SER B 5 2.187 -14.823 15.550 1.00 0.00 H new ATOM 0 HG SER B 5 0.848 -16.542 16.352 1.00 0.00 H new ATOM 1349 N LYS B 6 5.774 -14.989 14.132 1.00 0.00 N ATOM 1350 CA LYS B 6 6.955 -14.133 14.253 1.00 0.00 C ATOM 1351 C LYS B 6 6.572 -12.757 14.789 1.00 0.00 C ATOM 1352 O LYS B 6 7.297 -12.154 15.586 1.00 0.00 O ATOM 1353 CB LYS B 6 7.648 -13.986 12.895 1.00 0.00 C ATOM 1354 CG LYS B 6 8.940 -13.187 12.955 1.00 0.00 C ATOM 1355 CD LYS B 6 9.542 -12.989 11.572 1.00 0.00 C ATOM 1356 CE LYS B 6 10.855 -12.226 11.641 1.00 0.00 C ATOM 1357 NZ LYS B 6 11.927 -13.020 12.297 1.00 0.00 N ATOM 0 H LYS B 6 5.641 -15.389 13.203 1.00 0.00 H new ATOM 0 HA LYS B 6 7.643 -14.603 14.956 1.00 0.00 H new ATOM 0 HB2 LYS B 6 7.862 -14.978 12.496 1.00 0.00 H new ATOM 0 HB3 LYS B 6 6.964 -13.503 12.198 1.00 0.00 H new ATOM 0 HG2 LYS B 6 8.747 -12.216 13.411 1.00 0.00 H new ATOM 0 HG3 LYS B 6 9.657 -13.702 13.594 1.00 0.00 H new ATOM 0 HD2 LYS B 6 9.708 -13.959 11.104 1.00 0.00 H new ATOM 0 HD3 LYS B 6 8.837 -12.447 10.941 1.00 0.00 H new ATOM 0 HE2 LYS B 6 11.170 -11.955 10.633 1.00 0.00 H new ATOM 0 HE3 LYS B 6 10.705 -11.296 12.190 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 12.840 -12.538 12.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 11.719 -13.113 13.312 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 11.973 -13.965 11.865 1.00 0.00 H new ATOM 1371 N TYR B 7 5.428 -12.267 14.343 1.00 0.00 N ATOM 1372 CA TYR B 7 4.892 -11.009 14.826 1.00 0.00 C ATOM 1373 C TYR B 7 3.590 -11.266 15.561 1.00 0.00 C ATOM 1374 O TYR B 7 2.658 -11.837 14.992 1.00 0.00 O ATOM 1375 CB TYR B 7 4.644 -10.041 13.667 1.00 0.00 C ATOM 1376 CG TYR B 7 5.856 -9.803 12.797 1.00 0.00 C ATOM 1377 CD1 TYR B 7 6.826 -8.877 13.158 1.00 0.00 C ATOM 1378 CD2 TYR B 7 6.030 -10.508 11.613 1.00 0.00 C ATOM 1379 CE1 TYR B 7 7.932 -8.659 12.362 1.00 0.00 C ATOM 1380 CE2 TYR B 7 7.134 -10.297 10.814 1.00 0.00 C ATOM 1381 CZ TYR B 7 8.083 -9.373 11.194 1.00 0.00 C ATOM 1382 OH TYR B 7 9.184 -9.161 10.396 1.00 0.00 O ATOM 0 H TYR B 7 4.849 -12.727 13.641 1.00 0.00 H new ATOM 0 HA TYR B 7 5.618 -10.558 15.502 1.00 0.00 H new ATOM 0 HB2 TYR B 7 3.836 -10.430 13.048 1.00 0.00 H new ATOM 0 HB3 TYR B 7 4.305 -9.087 14.070 1.00 0.00 H new ATOM 0 HD1 TYR B 7 6.713 -8.319 14.076 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.288 -11.234 11.313 1.00 0.00 H new ATOM 0 HE1 TYR B 7 8.676 -7.932 12.654 1.00 0.00 H new ATOM 0 HE2 TYR B 7 7.254 -10.853 9.896 1.00 0.00 H new ATOM 0 HH TYR B 7 9.030 -9.560 9.514 1.00 0.00 H new ATOM 1392 N SER B 8 3.539 -10.879 16.827 1.00 0.00 N ATOM 1393 CA SER B 8 2.324 -11.010 17.612 1.00 0.00 C ATOM 1394 C SER B 8 1.175 -10.290 16.914 1.00 0.00 C ATOM 1395 O SER B 8 1.359 -9.202 16.357 1.00 0.00 O ATOM 1396 CB SER B 8 2.530 -10.445 19.020 1.00 0.00 C ATOM 1397 OG SER B 8 1.407 -10.710 19.842 1.00 0.00 O ATOM 0 H SER B 8 4.326 -10.472 17.331 1.00 0.00 H new ATOM 0 HA SER B 8 2.077 -12.068 17.701 1.00 0.00 H new ATOM 0 HB2 SER B 8 3.423 -10.884 19.465 1.00 0.00 H new ATOM 0 HB3 SER B 8 2.698 -9.370 18.963 1.00 0.00 H new ATOM 0 HG SER B 8 1.542 -10.300 20.722 1.00 0.00 H new ATOM 1403 N ASN B 9 -0.004 -10.899 16.940 1.00 0.00 N ATOM 1404 CA ASN B 9 -1.163 -10.360 16.241 1.00 0.00 C ATOM 1405 C ASN B 9 -1.519 -8.969 16.755 1.00 0.00 C ATOM 1406 O ASN B 9 -1.927 -8.101 15.984 1.00 0.00 O ATOM 1407 CB ASN B 9 -2.371 -11.302 16.368 1.00 0.00 C ATOM 1408 CG ASN B 9 -2.893 -11.443 17.790 1.00 0.00 C ATOM 1409 OD1 ASN B 9 -2.138 -11.383 18.763 1.00 0.00 O ATOM 1410 ND2 ASN B 9 -4.196 -11.635 17.917 1.00 0.00 N ATOM 0 H ASN B 9 -0.183 -11.770 17.440 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.901 -10.277 15.186 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -3.175 -10.934 15.731 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -2.093 -12.287 15.994 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -4.608 -11.739 18.844 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -4.788 -11.679 17.088 1.00 0.00 H new ATOM 1417 N THR B 10 -1.326 -8.750 18.050 1.00 0.00 N ATOM 1418 CA THR B 10 -1.634 -7.464 18.655 1.00 0.00 C ATOM 1419 C THR B 10 -0.634 -6.397 18.211 1.00 0.00 C ATOM 1420 O THR B 10 -0.936 -5.207 18.248 1.00 0.00 O ATOM 1421 CB THR B 10 -1.668 -7.550 20.200 1.00 0.00 C ATOM 1422 OG1 THR B 10 -2.085 -6.296 20.758 1.00 0.00 O ATOM 1423 CG2 THR B 10 -0.307 -7.932 20.767 1.00 0.00 C ATOM 0 H THR B 10 -0.958 -9.446 18.699 1.00 0.00 H new ATOM 0 HA THR B 10 -2.628 -7.179 18.311 1.00 0.00 H new ATOM 0 HB THR B 10 -2.383 -8.327 20.471 1.00 0.00 H new ATOM 0 HG1 THR B 10 -2.104 -6.363 21.736 1.00 0.00 H new ATOM 0 HG21 THR B 10 -0.367 -7.983 21.854 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.009 -8.904 20.374 1.00 0.00 H new ATOM 0 HG23 THR B 10 0.430 -7.183 20.479 1.00 0.00 H new ATOM 1431 N GLN B 11 0.549 -6.826 17.782 1.00 0.00 N ATOM 1432 CA GLN B 11 1.555 -5.902 17.275 1.00 0.00 C ATOM 1433 C GLN B 11 1.185 -5.453 15.870 1.00 0.00 C ATOM 1434 O GLN B 11 1.119 -4.258 15.585 1.00 0.00 O ATOM 1435 CB GLN B 11 2.940 -6.554 17.270 1.00 0.00 C ATOM 1436 CG GLN B 11 4.032 -5.670 16.682 1.00 0.00 C ATOM 1437 CD GLN B 11 5.395 -6.332 16.699 1.00 0.00 C ATOM 1438 OE1 GLN B 11 6.423 -5.664 16.796 1.00 0.00 O ATOM 1439 NE2 GLN B 11 5.415 -7.653 16.603 1.00 0.00 N ATOM 0 H GLN B 11 0.833 -7.806 17.776 1.00 0.00 H new ATOM 0 HA GLN B 11 1.588 -5.033 17.933 1.00 0.00 H new ATOM 0 HB2 GLN B 11 3.211 -6.819 18.292 1.00 0.00 H new ATOM 0 HB3 GLN B 11 2.892 -7.483 16.702 1.00 0.00 H new ATOM 0 HG2 GLN B 11 3.771 -5.412 15.656 1.00 0.00 H new ATOM 0 HG3 GLN B 11 4.079 -4.737 17.243 1.00 0.00 H new ATOM 0 HE21 GLN B 11 4.540 -8.172 16.524 1.00 0.00 H new ATOM 0 HE22 GLN B 11 6.305 -8.151 16.608 1.00 0.00 H new ATOM 1448 N VAL B 12 0.931 -6.425 15.001 1.00 0.00 N ATOM 1449 CA VAL B 12 0.551 -6.143 13.623 1.00 0.00 C ATOM 1450 C VAL B 12 -0.716 -5.295 13.588 1.00 0.00 C ATOM 1451 O VAL B 12 -0.781 -4.287 12.881 1.00 0.00 O ATOM 1452 CB VAL B 12 0.324 -7.443 12.819 1.00 0.00 C ATOM 1453 CG1 VAL B 12 0.033 -7.132 11.358 1.00 0.00 C ATOM 1454 CG2 VAL B 12 1.526 -8.370 12.940 1.00 0.00 C ATOM 0 H VAL B 12 0.982 -7.418 15.228 1.00 0.00 H new ATOM 0 HA VAL B 12 1.372 -5.595 13.162 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.544 -7.952 13.239 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.123 -8.062 10.812 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.863 -6.516 11.289 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.877 -6.595 10.925 1.00 0.00 H new ATOM 0 HG21 VAL B 12 1.344 -9.279 12.366 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.413 -7.868 12.553 1.00 0.00 H new ATOM 0 HG23 VAL B 12 1.683 -8.628 13.987 1.00 0.00 H new ATOM 1464 N GLU B 13 -1.706 -5.698 14.377 1.00 0.00 N ATOM 1465 CA GLU B 13 -2.970 -4.981 14.456 1.00 0.00 C ATOM 1466 C GLU B 13 -2.744 -3.554 14.951 1.00 0.00 C ATOM 1467 O GLU B 13 -3.310 -2.606 14.407 1.00 0.00 O ATOM 1468 CB GLU B 13 -3.933 -5.710 15.393 1.00 0.00 C ATOM 1469 CG GLU B 13 -5.370 -5.224 15.294 1.00 0.00 C ATOM 1470 CD GLU B 13 -6.029 -5.619 13.988 1.00 0.00 C ATOM 1471 OE1 GLU B 13 -5.945 -4.846 13.011 1.00 0.00 O ATOM 1472 OE2 GLU B 13 -6.644 -6.705 13.935 1.00 0.00 O ATOM 0 H GLU B 13 -1.655 -6.523 14.974 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.407 -4.941 13.458 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.904 -6.777 15.171 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.588 -5.589 16.420 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.946 -5.631 16.125 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.391 -4.139 15.394 1.00 0.00 H new ATOM 1479 N SER B 14 -1.902 -3.410 15.976 1.00 0.00 N ATOM 1480 CA SER B 14 -1.596 -2.103 16.543 1.00 0.00 C ATOM 1481 C SER B 14 -1.067 -1.165 15.468 1.00 0.00 C ATOM 1482 O SER B 14 -1.577 -0.057 15.302 1.00 0.00 O ATOM 1483 CB SER B 14 -0.572 -2.227 17.677 1.00 0.00 C ATOM 1484 OG SER B 14 -0.309 -0.967 18.279 1.00 0.00 O ATOM 0 H SER B 14 -1.421 -4.187 16.429 1.00 0.00 H new ATOM 0 HA SER B 14 -2.518 -1.689 16.950 1.00 0.00 H new ATOM 0 HB2 SER B 14 -0.944 -2.921 18.431 1.00 0.00 H new ATOM 0 HB3 SER B 14 0.356 -2.646 17.287 1.00 0.00 H new ATOM 0 HG SER B 14 0.178 -0.398 17.647 1.00 0.00 H new ATOM 1490 N LEU B 15 -0.056 -1.625 14.733 1.00 0.00 N ATOM 1491 CA LEU B 15 0.549 -0.822 13.678 1.00 0.00 C ATOM 1492 C LEU B 15 -0.492 -0.407 12.649 1.00 0.00 C ATOM 1493 O LEU B 15 -0.654 0.779 12.379 1.00 0.00 O ATOM 1494 CB LEU B 15 1.696 -1.580 12.998 1.00 0.00 C ATOM 1495 CG LEU B 15 3.083 -1.380 13.623 1.00 0.00 C ATOM 1496 CD1 LEU B 15 3.142 -1.943 15.034 1.00 0.00 C ATOM 1497 CD2 LEU B 15 4.156 -2.015 12.751 1.00 0.00 C ATOM 0 H LEU B 15 0.359 -2.549 14.850 1.00 0.00 H new ATOM 0 HA LEU B 15 0.958 0.077 14.139 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.462 -2.644 13.009 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.740 -1.275 11.953 1.00 0.00 H new ATOM 0 HG LEU B 15 3.270 -0.308 13.684 1.00 0.00 H new ATOM 0 HD11 LEU B 15 4.138 -1.785 15.447 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.405 -1.438 15.659 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.925 -3.011 15.009 1.00 0.00 H new ATOM 0 HD21 LEU B 15 5.134 -1.864 13.209 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.962 -3.083 12.655 1.00 0.00 H new ATOM 0 HD23 LEU B 15 4.143 -1.553 11.764 1.00 0.00 H new ATOM 1509 N ILE B 16 -1.209 -1.381 12.105 1.00 0.00 N ATOM 1510 CA ILE B 16 -2.232 -1.114 11.099 1.00 0.00 C ATOM 1511 C ILE B 16 -3.247 -0.091 11.610 1.00 0.00 C ATOM 1512 O ILE B 16 -3.553 0.889 10.930 1.00 0.00 O ATOM 1513 CB ILE B 16 -2.974 -2.410 10.695 1.00 0.00 C ATOM 1514 CG1 ILE B 16 -1.985 -3.428 10.119 1.00 0.00 C ATOM 1515 CG2 ILE B 16 -4.077 -2.112 9.683 1.00 0.00 C ATOM 1516 CD1 ILE B 16 -2.595 -4.788 9.864 1.00 0.00 C ATOM 0 H ILE B 16 -1.102 -2.367 12.344 1.00 0.00 H new ATOM 0 HA ILE B 16 -1.724 -0.710 10.223 1.00 0.00 H new ATOM 0 HB ILE B 16 -3.436 -2.833 11.587 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -1.580 -3.040 9.184 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -1.148 -3.538 10.808 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -4.584 -3.039 9.414 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -4.795 -1.419 10.121 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -3.640 -1.665 8.790 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.836 -5.456 9.457 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -2.975 -5.198 10.800 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -3.414 -4.692 9.151 1.00 0.00 H new ATOM 1528 N ALA B 17 -3.730 -0.312 12.824 1.00 0.00 N ATOM 1529 CA ALA B 17 -4.765 0.529 13.404 1.00 0.00 C ATOM 1530 C ALA B 17 -4.289 1.963 13.626 1.00 0.00 C ATOM 1531 O ALA B 17 -5.011 2.913 13.321 1.00 0.00 O ATOM 1532 CB ALA B 17 -5.252 -0.071 14.713 1.00 0.00 C ATOM 0 H ALA B 17 -3.419 -1.072 13.429 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.589 0.569 12.692 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -6.027 0.566 15.139 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.660 -1.065 14.528 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -4.419 -0.145 15.411 1.00 0.00 H new ATOM 1538 N GLU B 18 -3.072 2.132 14.135 1.00 0.00 N ATOM 1539 CA GLU B 18 -2.600 3.458 14.503 1.00 0.00 C ATOM 1540 C GLU B 18 -2.170 4.253 13.274 1.00 0.00 C ATOM 1541 O GLU B 18 -2.151 5.484 13.305 1.00 0.00 O ATOM 1542 CB GLU B 18 -1.470 3.380 15.532 1.00 0.00 C ATOM 1543 CG GLU B 18 -0.234 2.646 15.057 1.00 0.00 C ATOM 1544 CD GLU B 18 0.795 2.503 16.155 1.00 0.00 C ATOM 1545 OE1 GLU B 18 1.603 3.438 16.342 1.00 0.00 O ATOM 1546 OE2 GLU B 18 0.805 1.459 16.834 1.00 0.00 O ATOM 0 H GLU B 18 -2.405 1.378 14.299 1.00 0.00 H new ATOM 0 HA GLU B 18 -3.434 3.987 14.966 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -1.187 4.393 15.819 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -1.846 2.888 16.429 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -0.516 1.658 14.693 1.00 0.00 H new ATOM 0 HG3 GLU B 18 0.205 3.182 14.216 1.00 0.00 H new ATOM 1553 N ILE B 19 -1.833 3.555 12.192 1.00 0.00 N ATOM 1554 CA ILE B 19 -1.554 4.222 10.927 1.00 0.00 C ATOM 1555 C ILE B 19 -2.868 4.705 10.314 1.00 0.00 C ATOM 1556 O ILE B 19 -2.933 5.772 9.696 1.00 0.00 O ATOM 1557 CB ILE B 19 -0.810 3.300 9.933 1.00 0.00 C ATOM 1558 CG1 ILE B 19 0.468 2.752 10.571 1.00 0.00 C ATOM 1559 CG2 ILE B 19 -0.461 4.060 8.663 1.00 0.00 C ATOM 1560 CD1 ILE B 19 1.166 1.711 9.725 1.00 0.00 C ATOM 0 H ILE B 19 -1.748 2.539 12.167 1.00 0.00 H new ATOM 0 HA ILE B 19 -0.899 5.070 11.129 1.00 0.00 H new ATOM 0 HB ILE B 19 -1.468 2.469 9.680 1.00 0.00 H new ATOM 0 HG12 ILE B 19 1.155 3.578 10.757 1.00 0.00 H new ATOM 0 HG13 ILE B 19 0.223 2.317 11.540 1.00 0.00 H new ATOM 0 HG21 ILE B 19 0.062 3.397 7.974 1.00 0.00 H new ATOM 0 HG22 ILE B 19 -1.375 4.423 8.193 1.00 0.00 H new ATOM 0 HG23 ILE B 19 0.181 4.906 8.910 1.00 0.00 H new ATOM 0 HD11 ILE B 19 2.064 1.367 10.239 1.00 0.00 H new ATOM 0 HD12 ILE B 19 0.496 0.867 9.560 1.00 0.00 H new ATOM 0 HD13 ILE B 19 1.442 2.148 8.765 1.00 0.00 H new ATOM 1572 N LEU B 20 -3.924 3.920 10.520 1.00 0.00 N ATOM 1573 CA LEU B 20 -5.266 4.330 10.128 1.00 0.00 C ATOM 1574 C LEU B 20 -5.693 5.551 10.935 1.00 0.00 C ATOM 1575 O LEU B 20 -6.356 6.445 10.416 1.00 0.00 O ATOM 1576 CB LEU B 20 -6.272 3.191 10.330 1.00 0.00 C ATOM 1577 CG LEU B 20 -6.079 1.976 9.420 1.00 0.00 C ATOM 1578 CD1 LEU B 20 -7.075 0.882 9.774 1.00 0.00 C ATOM 1579 CD2 LEU B 20 -6.225 2.374 7.959 1.00 0.00 C ATOM 0 H LEU B 20 -3.874 2.999 10.955 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.249 4.585 9.068 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -6.216 2.860 11.367 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -7.277 3.584 10.174 1.00 0.00 H new ATOM 0 HG LEU B 20 -5.071 1.589 9.573 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -6.924 0.026 9.117 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.926 0.576 10.809 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -8.090 1.260 9.649 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -6.084 1.497 7.327 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -7.220 2.786 7.792 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.475 3.125 7.710 1.00 0.00 H new ATOM 1591 N VAL B 21 -5.296 5.579 12.207 1.00 0.00 N ATOM 1592 CA VAL B 21 -5.547 6.733 13.070 1.00 0.00 C ATOM 1593 C VAL B 21 -4.927 7.989 12.471 1.00 0.00 C ATOM 1594 O VAL B 21 -5.523 9.063 12.504 1.00 0.00 O ATOM 1595 CB VAL B 21 -4.990 6.515 14.497 1.00 0.00 C ATOM 1596 CG1 VAL B 21 -5.114 7.781 15.336 1.00 0.00 C ATOM 1597 CG2 VAL B 21 -5.705 5.359 15.179 1.00 0.00 C ATOM 0 H VAL B 21 -4.798 4.814 12.663 1.00 0.00 H new ATOM 0 HA VAL B 21 -6.628 6.854 13.140 1.00 0.00 H new ATOM 0 HB VAL B 21 -3.932 6.269 14.408 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -4.715 7.597 16.333 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -4.553 8.587 14.863 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -6.163 8.066 15.412 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -5.300 5.221 16.181 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -6.771 5.579 15.246 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -5.558 4.448 14.600 1.00 0.00 H new ATOM 1607 N VAL B 22 -3.729 7.845 11.913 1.00 0.00 N ATOM 1608 CA VAL B 22 -3.059 8.951 11.240 1.00 0.00 C ATOM 1609 C VAL B 22 -3.958 9.531 10.159 1.00 0.00 C ATOM 1610 O VAL B 22 -4.268 10.723 10.169 1.00 0.00 O ATOM 1611 CB VAL B 22 -1.729 8.505 10.601 1.00 0.00 C ATOM 1612 CG1 VAL B 22 -0.999 9.686 9.983 1.00 0.00 C ATOM 1613 CG2 VAL B 22 -0.858 7.813 11.629 1.00 0.00 C ATOM 0 H VAL B 22 -3.202 6.972 11.914 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.845 9.709 11.994 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.953 7.797 9.803 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.064 9.344 9.539 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.623 10.137 9.212 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -0.785 10.426 10.754 1.00 0.00 H new ATOM 0 HG21 VAL B 22 0.078 7.503 11.164 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -0.646 8.500 12.448 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.378 6.937 12.016 1.00 0.00 H new ATOM 1623 N LEU B 23 -4.377 8.674 9.239 1.00 0.00 N ATOM 1624 CA LEU B 23 -5.299 9.073 8.178 1.00 0.00 C ATOM 1625 C LEU B 23 -6.594 9.652 8.752 1.00 0.00 C ATOM 1626 O LEU B 23 -6.998 10.758 8.395 1.00 0.00 O ATOM 1627 CB LEU B 23 -5.626 7.875 7.288 1.00 0.00 C ATOM 1628 CG LEU B 23 -4.434 7.262 6.553 1.00 0.00 C ATOM 1629 CD1 LEU B 23 -4.862 6.016 5.796 1.00 0.00 C ATOM 1630 CD2 LEU B 23 -3.814 8.276 5.603 1.00 0.00 C ATOM 0 H LEU B 23 -4.094 7.695 9.204 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.810 9.847 7.587 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -6.089 7.103 7.902 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -6.367 8.183 6.551 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.683 6.978 7.290 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -4.002 5.592 5.278 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -5.261 5.283 6.497 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -5.630 6.278 5.069 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -2.967 7.822 5.089 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -4.557 8.590 4.870 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -3.473 9.143 6.168 1.00 0.00 H new ATOM 1642 N GLU B 24 -7.213 8.905 9.662 1.00 0.00 N ATOM 1643 CA GLU B 24 -8.528 9.242 10.209 1.00 0.00 C ATOM 1644 C GLU B 24 -8.526 10.520 11.044 1.00 0.00 C ATOM 1645 O GLU B 24 -9.547 11.206 11.110 1.00 0.00 O ATOM 1646 CB GLU B 24 -9.057 8.081 11.055 1.00 0.00 C ATOM 1647 CG GLU B 24 -10.038 7.184 10.317 1.00 0.00 C ATOM 1648 CD GLU B 24 -11.397 7.836 10.143 1.00 0.00 C ATOM 1649 OE1 GLU B 24 -11.613 8.524 9.122 1.00 0.00 O ATOM 1650 OE2 GLU B 24 -12.258 7.667 11.036 1.00 0.00 O ATOM 0 H GLU B 24 -6.817 8.046 10.043 1.00 0.00 H new ATOM 0 HA GLU B 24 -9.181 9.420 9.354 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -8.215 7.479 11.397 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -9.544 8.483 11.944 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -9.631 6.932 9.338 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -10.154 6.249 10.864 1.00 0.00 H new ATOM 1657 N LYS B 25 -7.403 10.856 11.672 1.00 0.00 N ATOM 1658 CA LYS B 25 -7.368 12.023 12.552 1.00 0.00 C ATOM 1659 C LYS B 25 -7.506 13.318 11.750 1.00 0.00 C ATOM 1660 O LYS B 25 -7.999 14.320 12.260 1.00 0.00 O ATOM 1661 CB LYS B 25 -6.108 12.042 13.430 1.00 0.00 C ATOM 1662 CG LYS B 25 -4.863 12.607 12.773 1.00 0.00 C ATOM 1663 CD LYS B 25 -3.754 12.783 13.800 1.00 0.00 C ATOM 1664 CE LYS B 25 -2.539 13.468 13.206 1.00 0.00 C ATOM 1665 NZ LYS B 25 -1.877 12.630 12.178 1.00 0.00 N ATOM 0 H LYS B 25 -6.521 10.350 11.592 1.00 0.00 H new ATOM 0 HA LYS B 25 -8.223 11.949 13.224 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -6.320 12.624 14.327 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -5.896 11.023 13.754 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -4.529 11.940 11.978 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -5.093 13.566 12.308 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -4.127 13.369 14.640 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -3.465 11.808 14.194 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -2.839 14.417 12.762 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -1.828 13.698 14.000 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -0.941 13.026 11.957 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -1.766 11.661 12.539 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -2.459 12.614 11.316 1.00 0.00 H new ATOM 1679 N HIS B 26 -7.083 13.296 10.489 1.00 0.00 N ATOM 1680 CA HIS B 26 -7.369 14.410 9.582 1.00 0.00 C ATOM 1681 C HIS B 26 -8.372 13.978 8.530 1.00 0.00 C ATOM 1682 O HIS B 26 -8.676 14.719 7.597 1.00 0.00 O ATOM 1683 CB HIS B 26 -6.105 14.991 8.923 1.00 0.00 C ATOM 1684 CG HIS B 26 -5.092 14.001 8.441 1.00 0.00 C ATOM 1685 ND1 HIS B 26 -5.126 13.417 7.196 1.00 0.00 N ATOM 1686 CD2 HIS B 26 -3.974 13.536 9.039 1.00 0.00 C ATOM 1687 CE1 HIS B 26 -4.074 12.630 7.056 1.00 0.00 C ATOM 1688 NE2 HIS B 26 -3.354 12.688 8.161 1.00 0.00 N ATOM 0 H HIS B 26 -6.549 12.533 10.074 1.00 0.00 H new ATOM 0 HA HIS B 26 -7.795 15.212 10.185 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -6.412 15.605 8.077 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -5.620 15.655 9.639 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.631 13.788 10.032 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -3.842 12.038 6.183 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -2.483 12.186 8.332 1.00 0.00 H new ATOM 1697 N LYS B 27 -8.871 12.761 8.717 1.00 0.00 N ATOM 1698 CA LYS B 27 -9.883 12.146 7.863 1.00 0.00 C ATOM 1699 C LYS B 27 -9.588 12.361 6.384 1.00 0.00 C ATOM 1700 O LYS B 27 -10.479 12.704 5.607 1.00 0.00 O ATOM 1701 CB LYS B 27 -11.274 12.664 8.225 1.00 0.00 C ATOM 1702 CG LYS B 27 -12.349 11.610 8.047 1.00 0.00 C ATOM 1703 CD LYS B 27 -13.656 12.022 8.690 1.00 0.00 C ATOM 1704 CE LYS B 27 -14.560 10.819 8.892 1.00 0.00 C ATOM 1705 NZ LYS B 27 -13.925 9.793 9.766 1.00 0.00 N ATOM 0 H LYS B 27 -8.576 12.159 9.486 1.00 0.00 H new ATOM 0 HA LYS B 27 -9.855 11.071 8.041 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -11.273 13.006 9.260 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -11.510 13.528 7.604 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -12.508 11.430 6.984 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -12.011 10.670 8.482 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -13.460 12.500 9.650 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -14.158 12.759 8.063 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -15.502 11.142 9.335 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -14.798 10.376 7.925 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -14.662 9.199 10.196 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -13.289 9.198 9.197 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -13.379 10.265 10.515 1.00 0.00 H new ATOM 1719 N ALA B 28 -8.319 12.177 6.020 1.00 0.00 N ATOM 1720 CA ALA B 28 -7.894 12.206 4.618 1.00 0.00 C ATOM 1721 C ALA B 28 -8.873 11.453 3.710 1.00 0.00 C ATOM 1722 O ALA B 28 -9.222 10.298 3.974 1.00 0.00 O ATOM 1723 CB ALA B 28 -6.499 11.615 4.484 1.00 0.00 C ATOM 0 H ALA B 28 -7.562 12.005 6.681 1.00 0.00 H new ATOM 0 HA ALA B 28 -7.881 13.248 4.298 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -6.192 11.641 3.439 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -5.798 12.197 5.083 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -6.506 10.583 4.835 1.00 0.00 H new ATOM 1729 N PRO B 29 -9.335 12.115 2.634 1.00 0.00 N ATOM 1730 CA PRO B 29 -10.284 11.532 1.673 1.00 0.00 C ATOM 1731 C PRO B 29 -9.755 10.254 1.023 1.00 0.00 C ATOM 1732 O PRO B 29 -8.570 9.936 1.129 1.00 0.00 O ATOM 1733 CB PRO B 29 -10.455 12.632 0.619 1.00 0.00 C ATOM 1734 CG PRO B 29 -10.059 13.889 1.310 1.00 0.00 C ATOM 1735 CD PRO B 29 -8.983 13.500 2.283 1.00 0.00 C ATOM 0 HA PRO B 29 -11.214 11.238 2.159 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -9.827 12.445 -0.252 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.485 12.683 0.265 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.693 14.628 0.597 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.909 14.336 1.825 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -7.992 13.563 1.834 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -8.978 14.149 3.159 1.00 0.00 H new ATOM 1743 N THR B 30 -10.637 9.542 0.332 1.00 0.00 N ATOM 1744 CA THR B 30 -10.304 8.256 -0.267 1.00 0.00 C ATOM 1745 C THR B 30 -9.137 8.378 -1.246 1.00 0.00 C ATOM 1746 O THR B 30 -8.151 7.645 -1.139 1.00 0.00 O ATOM 1747 CB THR B 30 -11.524 7.663 -0.997 1.00 0.00 C ATOM 1748 OG1 THR B 30 -12.663 7.677 -0.121 1.00 0.00 O ATOM 1749 CG2 THR B 30 -11.249 6.239 -1.457 1.00 0.00 C ATOM 0 H THR B 30 -11.600 9.839 0.172 1.00 0.00 H new ATOM 0 HA THR B 30 -10.008 7.590 0.544 1.00 0.00 H new ATOM 0 HB THR B 30 -11.727 8.273 -1.877 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.439 7.301 -0.587 1.00 0.00 H new ATOM 0 HG21 THR B 30 -12.127 5.846 -1.969 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.399 6.235 -2.139 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.023 5.615 -0.593 1.00 0.00 H new ATOM 1757 N ASP B 31 -9.250 9.316 -2.184 1.00 0.00 N ATOM 1758 CA ASP B 31 -8.204 9.539 -3.181 1.00 0.00 C ATOM 1759 C ASP B 31 -6.884 9.863 -2.500 1.00 0.00 C ATOM 1760 O ASP B 31 -5.855 9.251 -2.789 1.00 0.00 O ATOM 1761 CB ASP B 31 -8.577 10.688 -4.124 1.00 0.00 C ATOM 1762 CG ASP B 31 -9.885 10.467 -4.854 1.00 0.00 C ATOM 1763 OD1 ASP B 31 -9.867 9.893 -5.962 1.00 0.00 O ATOM 1764 OD2 ASP B 31 -10.938 10.892 -4.332 1.00 0.00 O ATOM 0 H ASP B 31 -10.056 9.935 -2.275 1.00 0.00 H new ATOM 0 HA ASP B 31 -8.102 8.623 -3.763 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -8.642 11.613 -3.550 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -7.780 10.821 -4.855 1.00 0.00 H new ATOM 1769 N LEU B 32 -6.930 10.821 -1.579 1.00 0.00 N ATOM 1770 CA LEU B 32 -5.743 11.265 -0.859 1.00 0.00 C ATOM 1771 C LEU B 32 -5.111 10.110 -0.084 1.00 0.00 C ATOM 1772 O LEU B 32 -3.887 9.988 -0.030 1.00 0.00 O ATOM 1773 CB LEU B 32 -6.105 12.409 0.093 1.00 0.00 C ATOM 1774 CG LEU B 32 -4.923 13.076 0.801 1.00 0.00 C ATOM 1775 CD1 LEU B 32 -3.946 13.653 -0.210 1.00 0.00 C ATOM 1776 CD2 LEU B 32 -5.415 14.166 1.741 1.00 0.00 C ATOM 0 H LEU B 32 -7.786 11.308 -1.313 1.00 0.00 H new ATOM 0 HA LEU B 32 -5.014 11.624 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -6.645 13.170 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.790 12.026 0.849 1.00 0.00 H new ATOM 0 HG LEU B 32 -4.403 12.318 1.386 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.114 14.122 0.315 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.568 12.854 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.454 14.397 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.563 14.631 2.237 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -5.959 14.920 1.171 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -6.077 13.730 2.489 1.00 0.00 H new ATOM 1788 N SER B 33 -5.950 9.257 0.498 1.00 0.00 N ATOM 1789 CA SER B 33 -5.471 8.089 1.225 1.00 0.00 C ATOM 1790 C SER B 33 -4.700 7.158 0.290 1.00 0.00 C ATOM 1791 O SER B 33 -3.577 6.754 0.588 1.00 0.00 O ATOM 1792 CB SER B 33 -6.641 7.334 1.863 1.00 0.00 C ATOM 1793 OG SER B 33 -7.373 8.167 2.748 1.00 0.00 O ATOM 0 H SER B 33 -6.965 9.354 0.479 1.00 0.00 H new ATOM 0 HA SER B 33 -4.802 8.431 2.015 1.00 0.00 H new ATOM 0 HB2 SER B 33 -7.303 6.959 1.082 1.00 0.00 H new ATOM 0 HB3 SER B 33 -6.264 6.467 2.405 1.00 0.00 H new ATOM 0 HG SER B 33 -7.868 8.837 2.232 1.00 0.00 H new ATOM 1799 N LEU B 34 -5.302 6.845 -0.852 1.00 0.00 N ATOM 1800 CA LEU B 34 -4.687 5.944 -1.820 1.00 0.00 C ATOM 1801 C LEU B 34 -3.374 6.521 -2.344 1.00 0.00 C ATOM 1802 O LEU B 34 -2.399 5.792 -2.534 1.00 0.00 O ATOM 1803 CB LEU B 34 -5.642 5.676 -2.986 1.00 0.00 C ATOM 1804 CG LEU B 34 -6.973 5.017 -2.606 1.00 0.00 C ATOM 1805 CD1 LEU B 34 -7.874 4.894 -3.822 1.00 0.00 C ATOM 1806 CD2 LEU B 34 -6.740 3.648 -1.980 1.00 0.00 C ATOM 0 H LEU B 34 -6.216 7.202 -1.130 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.474 5.002 -1.314 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.853 6.622 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.134 5.039 -3.711 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.467 5.652 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.814 4.424 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -8.074 5.885 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.382 4.284 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -7.698 3.200 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -6.221 3.006 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.133 3.757 -1.081 1.00 0.00 H new ATOM 1818 N MET B 35 -3.357 7.833 -2.567 1.00 0.00 N ATOM 1819 CA MET B 35 -2.159 8.515 -3.052 1.00 0.00 C ATOM 1820 C MET B 35 -1.034 8.437 -2.026 1.00 0.00 C ATOM 1821 O MET B 35 0.088 8.037 -2.353 1.00 0.00 O ATOM 1822 CB MET B 35 -2.459 9.984 -3.377 1.00 0.00 C ATOM 1823 CG MET B 35 -3.417 10.173 -4.542 1.00 0.00 C ATOM 1824 SD MET B 35 -3.776 11.912 -4.872 1.00 0.00 S ATOM 1825 CE MET B 35 -2.151 12.522 -5.312 1.00 0.00 C ATOM 0 H MET B 35 -4.159 8.445 -2.420 1.00 0.00 H new ATOM 0 HA MET B 35 -1.840 8.010 -3.964 1.00 0.00 H new ATOM 0 HB2 MET B 35 -2.879 10.463 -2.493 1.00 0.00 H new ATOM 0 HB3 MET B 35 -1.523 10.495 -3.602 1.00 0.00 H new ATOM 0 HG2 MET B 35 -2.990 9.718 -5.436 1.00 0.00 H new ATOM 0 HG3 MET B 35 -4.348 9.647 -4.331 1.00 0.00 H new ATOM 0 HE1 MET B 35 -2.224 13.567 -5.612 1.00 0.00 H new ATOM 0 HE2 MET B 35 -1.485 12.436 -4.453 1.00 0.00 H new ATOM 0 HE3 MET B 35 -1.753 11.934 -6.139 1.00 0.00 H new ATOM 1835 N ALA B 36 -1.340 8.809 -0.786 1.00 0.00 N ATOM 1836 CA ALA B 36 -0.350 8.803 0.283 1.00 0.00 C ATOM 1837 C ALA B 36 0.181 7.396 0.529 1.00 0.00 C ATOM 1838 O ALA B 36 1.391 7.180 0.568 1.00 0.00 O ATOM 1839 CB ALA B 36 -0.944 9.379 1.561 1.00 0.00 C ATOM 0 H ALA B 36 -2.268 9.119 -0.498 1.00 0.00 H new ATOM 0 HA ALA B 36 0.486 9.430 -0.027 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.192 9.367 2.349 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.266 10.405 1.382 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -1.800 8.778 1.867 1.00 0.00 H new ATOM 1845 N LEU B 37 -0.730 6.439 0.670 1.00 0.00 N ATOM 1846 CA LEU B 37 -0.354 5.056 0.931 1.00 0.00 C ATOM 1847 C LEU B 37 0.426 4.463 -0.236 1.00 0.00 C ATOM 1848 O LEU B 37 1.446 3.808 -0.033 1.00 0.00 O ATOM 1849 CB LEU B 37 -1.591 4.200 1.226 1.00 0.00 C ATOM 1850 CG LEU B 37 -2.054 4.183 2.689 1.00 0.00 C ATOM 1851 CD1 LEU B 37 -0.979 3.583 3.578 1.00 0.00 C ATOM 1852 CD2 LEU B 37 -2.415 5.578 3.172 1.00 0.00 C ATOM 0 H LEU B 37 -1.736 6.597 0.608 1.00 0.00 H new ATOM 0 HA LEU B 37 0.292 5.054 1.809 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.414 4.558 0.608 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.383 3.175 0.918 1.00 0.00 H new ATOM 0 HG LEU B 37 -2.949 3.564 2.747 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -1.323 3.578 4.612 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.772 2.561 3.260 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.069 4.178 3.501 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.739 5.531 4.212 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.543 6.227 3.093 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.222 5.978 2.558 1.00 0.00 H new ATOM 1864 N GLY B 38 -0.045 4.710 -1.454 1.00 0.00 N ATOM 1865 CA GLY B 38 0.614 4.179 -2.634 1.00 0.00 C ATOM 1866 C GLY B 38 2.057 4.630 -2.743 1.00 0.00 C ATOM 1867 O GLY B 38 2.958 3.821 -2.974 1.00 0.00 O ATOM 0 H GLY B 38 -0.875 5.271 -1.646 1.00 0.00 H new ATOM 0 HA2 GLY B 38 0.578 3.090 -2.608 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.069 4.495 -3.524 1.00 0.00 H new ATOM 1871 N ASN B 39 2.282 5.922 -2.551 1.00 0.00 N ATOM 1872 CA ASN B 39 3.628 6.476 -2.618 1.00 0.00 C ATOM 1873 C ASN B 39 4.466 5.996 -1.441 1.00 0.00 C ATOM 1874 O ASN B 39 5.683 5.863 -1.553 1.00 0.00 O ATOM 1875 CB ASN B 39 3.593 8.007 -2.651 1.00 0.00 C ATOM 1876 CG ASN B 39 3.219 8.563 -4.013 1.00 0.00 C ATOM 1877 OD1 ASN B 39 4.085 8.824 -4.848 1.00 0.00 O ATOM 1878 ND2 ASN B 39 1.930 8.755 -4.248 1.00 0.00 N ATOM 0 H ASN B 39 1.552 6.605 -2.348 1.00 0.00 H new ATOM 0 HA ASN B 39 4.087 6.124 -3.542 1.00 0.00 H new ATOM 0 HB2 ASN B 39 2.878 8.365 -1.910 1.00 0.00 H new ATOM 0 HB3 ASN B 39 4.571 8.393 -2.363 1.00 0.00 H new ATOM 0 HD21 ASN B 39 1.626 9.131 -5.146 1.00 0.00 H new ATOM 0 HD22 ASN B 39 1.241 8.527 -3.531 1.00 0.00 H new ATOM 1885 N CYS B 40 3.810 5.725 -0.318 1.00 0.00 N ATOM 1886 CA CYS B 40 4.495 5.229 0.869 1.00 0.00 C ATOM 1887 C CYS B 40 4.995 3.802 0.648 1.00 0.00 C ATOM 1888 O CYS B 40 6.148 3.490 0.949 1.00 0.00 O ATOM 1889 CB CYS B 40 3.562 5.286 2.083 1.00 0.00 C ATOM 1890 SG CYS B 40 4.348 4.830 3.647 1.00 0.00 S ATOM 0 H CYS B 40 2.803 5.841 -0.205 1.00 0.00 H new ATOM 0 HA CYS B 40 5.358 5.867 1.060 1.00 0.00 H new ATOM 0 HB2 CYS B 40 3.162 6.296 2.172 1.00 0.00 H new ATOM 0 HB3 CYS B 40 2.716 4.622 1.908 1.00 0.00 H new ATOM 0 HG CYS B 40 3.440 4.706 4.569 1.00 0.00 H new ATOM 1896 N VAL B 41 4.128 2.945 0.103 1.00 0.00 N ATOM 1897 CA VAL B 41 4.496 1.562 -0.196 1.00 0.00 C ATOM 1898 C VAL B 41 5.687 1.527 -1.148 1.00 0.00 C ATOM 1899 O VAL B 41 6.648 0.784 -0.936 1.00 0.00 O ATOM 1900 CB VAL B 41 3.313 0.779 -0.820 1.00 0.00 C ATOM 1901 CG1 VAL B 41 3.710 -0.655 -1.149 1.00 0.00 C ATOM 1902 CG2 VAL B 41 2.111 0.789 0.110 1.00 0.00 C ATOM 0 H VAL B 41 3.167 3.186 -0.140 1.00 0.00 H new ATOM 0 HA VAL B 41 4.764 1.083 0.746 1.00 0.00 H new ATOM 0 HB VAL B 41 3.042 1.279 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL B 41 2.858 -1.177 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL B 41 4.536 -0.650 -1.861 1.00 0.00 H new ATOM 0 HG13 VAL B 41 4.020 -1.165 -0.237 1.00 0.00 H new ATOM 0 HG21 VAL B 41 1.292 0.234 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL B 41 2.380 0.323 1.058 1.00 0.00 H new ATOM 0 HG23 VAL B 41 1.797 1.818 0.288 1.00 0.00 H new ATOM 1912 N THR B 42 5.631 2.359 -2.180 1.00 0.00 N ATOM 1913 CA THR B 42 6.714 2.444 -3.143 1.00 0.00 C ATOM 1914 C THR B 42 7.975 3.009 -2.482 1.00 0.00 C ATOM 1915 O THR B 42 9.082 2.535 -2.724 1.00 0.00 O ATOM 1916 CB THR B 42 6.320 3.330 -4.342 1.00 0.00 C ATOM 1917 OG1 THR B 42 4.954 3.084 -4.700 1.00 0.00 O ATOM 1918 CG2 THR B 42 7.199 3.036 -5.546 1.00 0.00 C ATOM 0 H THR B 42 4.847 2.983 -2.369 1.00 0.00 H new ATOM 0 HA THR B 42 6.917 1.436 -3.505 1.00 0.00 H new ATOM 0 HB THR B 42 6.452 4.371 -4.049 1.00 0.00 H new ATOM 0 HG1 THR B 42 4.362 3.539 -4.065 1.00 0.00 H new ATOM 0 HG21 THR B 42 6.901 3.674 -6.378 1.00 0.00 H new ATOM 0 HG22 THR B 42 8.241 3.233 -5.293 1.00 0.00 H new ATOM 0 HG23 THR B 42 7.087 1.990 -5.832 1.00 0.00 H new ATOM 1926 N HIS B 43 7.782 4.001 -1.612 1.00 0.00 N ATOM 1927 CA HIS B 43 8.886 4.673 -0.925 1.00 0.00 C ATOM 1928 C HIS B 43 9.717 3.680 -0.117 1.00 0.00 C ATOM 1929 O HIS B 43 10.942 3.803 -0.039 1.00 0.00 O ATOM 1930 CB HIS B 43 8.340 5.768 0.000 1.00 0.00 C ATOM 1931 CG HIS B 43 9.389 6.685 0.559 1.00 0.00 C ATOM 1932 ND1 HIS B 43 9.723 7.882 -0.032 1.00 0.00 N ATOM 1933 CD2 HIS B 43 10.169 6.583 1.663 1.00 0.00 C ATOM 1934 CE1 HIS B 43 10.662 8.478 0.679 1.00 0.00 C ATOM 1935 NE2 HIS B 43 10.951 7.711 1.713 1.00 0.00 N ATOM 0 H HIS B 43 6.860 4.360 -1.364 1.00 0.00 H new ATOM 0 HA HIS B 43 9.530 5.124 -1.680 1.00 0.00 H new ATOM 0 HB2 HIS B 43 7.611 6.362 -0.551 1.00 0.00 H new ATOM 0 HB3 HIS B 43 7.808 5.297 0.827 1.00 0.00 H new ATOM 0 HD2 HIS B 43 10.174 5.767 2.371 1.00 0.00 H new ATOM 0 HE1 HIS B 43 11.116 9.431 0.453 1.00 0.00 H new ATOM 0 HE2 HIS B 43 11.643 7.922 2.432 1.00 0.00 H new ATOM 1944 N LEU B 44 9.044 2.711 0.493 1.00 0.00 N ATOM 1945 CA LEU B 44 9.720 1.685 1.272 1.00 0.00 C ATOM 1946 C LEU B 44 10.619 0.843 0.379 1.00 0.00 C ATOM 1947 O LEU B 44 11.780 0.606 0.698 1.00 0.00 O ATOM 1948 CB LEU B 44 8.701 0.791 1.983 1.00 0.00 C ATOM 1949 CG LEU B 44 7.820 1.499 3.014 1.00 0.00 C ATOM 1950 CD1 LEU B 44 6.823 0.526 3.621 1.00 0.00 C ATOM 1951 CD2 LEU B 44 8.674 2.134 4.102 1.00 0.00 C ATOM 0 H LEU B 44 8.029 2.616 0.462 1.00 0.00 H new ATOM 0 HA LEU B 44 10.336 2.179 2.023 1.00 0.00 H new ATOM 0 HB2 LEU B 44 8.057 0.333 1.232 1.00 0.00 H new ATOM 0 HB3 LEU B 44 9.236 -0.018 2.480 1.00 0.00 H new ATOM 0 HG LEU B 44 7.266 2.289 2.507 1.00 0.00 H new ATOM 0 HD11 LEU B 44 6.205 1.047 4.352 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.188 0.117 2.835 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.360 -0.286 4.112 1.00 0.00 H new ATOM 0 HD21 LEU B 44 8.029 2.633 4.826 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.255 1.362 4.605 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.350 2.863 3.655 1.00 0.00 H new ATOM 1963 N LEU B 45 10.080 0.411 -0.752 1.00 0.00 N ATOM 1964 CA LEU B 45 10.830 -0.411 -1.692 1.00 0.00 C ATOM 1965 C LEU B 45 12.043 0.335 -2.242 1.00 0.00 C ATOM 1966 O LEU B 45 13.128 -0.236 -2.355 1.00 0.00 O ATOM 1967 CB LEU B 45 9.924 -0.852 -2.844 1.00 0.00 C ATOM 1968 CG LEU B 45 8.844 -1.870 -2.474 1.00 0.00 C ATOM 1969 CD1 LEU B 45 7.929 -2.135 -3.662 1.00 0.00 C ATOM 1970 CD2 LEU B 45 9.485 -3.167 -2.001 1.00 0.00 C ATOM 0 H LEU B 45 9.124 0.616 -1.042 1.00 0.00 H new ATOM 0 HA LEU B 45 11.189 -1.289 -1.155 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.440 0.031 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU B 45 10.546 -1.277 -3.631 1.00 0.00 H new ATOM 0 HG LEU B 45 8.244 -1.459 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU B 45 7.167 -2.862 -3.380 1.00 0.00 H new ATOM 0 HD12 LEU B 45 7.448 -1.205 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.515 -2.528 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU B 45 8.706 -3.884 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU B 45 10.105 -3.578 -2.798 1.00 0.00 H new ATOM 0 HD23 LEU B 45 10.104 -2.969 -1.126 1.00 0.00 H new ATOM 1982 N GLU B 46 11.849 1.609 -2.562 1.00 0.00 N ATOM 1983 CA GLU B 46 12.885 2.430 -3.186 1.00 0.00 C ATOM 1984 C GLU B 46 14.163 2.508 -2.345 1.00 0.00 C ATOM 1985 O GLU B 46 15.256 2.228 -2.836 1.00 0.00 O ATOM 1986 CB GLU B 46 12.350 3.845 -3.428 1.00 0.00 C ATOM 1987 CG GLU B 46 11.210 3.915 -4.432 1.00 0.00 C ATOM 1988 CD GLU B 46 11.661 3.682 -5.859 1.00 0.00 C ATOM 1989 OE1 GLU B 46 11.820 2.512 -6.259 1.00 0.00 O ATOM 1990 OE2 GLU B 46 11.850 4.677 -6.593 1.00 0.00 O ATOM 0 H GLU B 46 10.972 2.103 -2.398 1.00 0.00 H new ATOM 0 HA GLU B 46 13.144 1.953 -4.131 1.00 0.00 H new ATOM 0 HB2 GLU B 46 12.010 4.260 -2.479 1.00 0.00 H new ATOM 0 HB3 GLU B 46 13.167 4.476 -3.778 1.00 0.00 H new ATOM 0 HG2 GLU B 46 10.456 3.173 -4.170 1.00 0.00 H new ATOM 0 HG3 GLU B 46 10.732 4.892 -4.363 1.00 0.00 H new ATOM 1997 N ARG B 47 14.031 2.876 -1.077 1.00 0.00 N ATOM 1998 CA ARG B 47 15.200 3.194 -0.267 1.00 0.00 C ATOM 1999 C ARG B 47 15.589 2.063 0.686 1.00 0.00 C ATOM 2000 O ARG B 47 16.492 2.221 1.505 1.00 0.00 O ATOM 2001 CB ARG B 47 14.964 4.485 0.525 1.00 0.00 C ATOM 2002 CG ARG B 47 14.766 5.706 -0.360 1.00 0.00 C ATOM 2003 CD ARG B 47 14.621 6.976 0.463 1.00 0.00 C ATOM 2004 NE ARG B 47 14.401 8.145 -0.386 1.00 0.00 N ATOM 2005 CZ ARG B 47 14.653 9.400 -0.020 1.00 0.00 C ATOM 2006 NH1 ARG B 47 15.146 9.671 1.187 1.00 0.00 N ATOM 2007 NH2 ARG B 47 14.410 10.386 -0.873 1.00 0.00 N ATOM 0 H ARG B 47 13.138 2.961 -0.592 1.00 0.00 H new ATOM 0 HA ARG B 47 16.031 3.331 -0.959 1.00 0.00 H new ATOM 0 HB2 ARG B 47 14.087 4.359 1.159 1.00 0.00 H new ATOM 0 HB3 ARG B 47 15.813 4.658 1.186 1.00 0.00 H new ATOM 0 HG2 ARG B 47 15.614 5.806 -1.038 1.00 0.00 H new ATOM 0 HG3 ARG B 47 13.878 5.569 -0.977 1.00 0.00 H new ATOM 0 HD2 ARG B 47 13.787 6.867 1.157 1.00 0.00 H new ATOM 0 HD3 ARG B 47 15.518 7.125 1.064 1.00 0.00 H new ATOM 0 HE ARG B 47 14.029 7.989 -1.323 1.00 0.00 H new ATOM 0 HH11 ARG B 47 15.335 8.913 1.843 1.00 0.00 H new ATOM 0 HH12 ARG B 47 15.335 10.637 1.456 1.00 0.00 H new ATOM 0 HH21 ARG B 47 14.034 10.179 -1.798 1.00 0.00 H new ATOM 0 HH22 ARG B 47 14.599 11.351 -0.604 1.00 0.00 H new ATOM 2021 N LYS B 48 14.919 0.924 0.573 1.00 0.00 N ATOM 2022 CA LYS B 48 15.247 -0.216 1.428 1.00 0.00 C ATOM 2023 C LYS B 48 15.667 -1.417 0.595 1.00 0.00 C ATOM 2024 O LYS B 48 16.720 -2.017 0.837 1.00 0.00 O ATOM 2025 CB LYS B 48 14.046 -0.601 2.299 1.00 0.00 C ATOM 2026 CG LYS B 48 13.714 0.423 3.374 1.00 0.00 C ATOM 2027 CD LYS B 48 14.784 0.472 4.449 1.00 0.00 C ATOM 2028 CE LYS B 48 14.419 1.450 5.552 1.00 0.00 C ATOM 2029 NZ LYS B 48 15.399 1.417 6.669 1.00 0.00 N ATOM 0 H LYS B 48 14.159 0.763 -0.088 1.00 0.00 H new ATOM 0 HA LYS B 48 16.078 0.081 2.068 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.174 -0.738 1.659 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.247 -1.561 2.774 1.00 0.00 H new ATOM 0 HG2 LYS B 48 13.609 1.408 2.919 1.00 0.00 H new ATOM 0 HG3 LYS B 48 12.753 0.177 3.827 1.00 0.00 H new ATOM 0 HD2 LYS B 48 14.921 -0.523 4.874 1.00 0.00 H new ATOM 0 HD3 LYS B 48 15.736 0.762 4.004 1.00 0.00 H new ATOM 0 HE2 LYS B 48 14.370 2.459 5.141 1.00 0.00 H new ATOM 0 HE3 LYS B 48 13.426 1.213 5.933 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 15.114 2.099 7.401 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 15.427 0.461 7.078 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 16.342 1.668 6.311 1.00 0.00 H new ATOM 2043 N VAL B 49 14.861 -1.755 -0.394 1.00 0.00 N ATOM 2044 CA VAL B 49 15.076 -2.955 -1.180 1.00 0.00 C ATOM 2045 C VAL B 49 15.816 -2.631 -2.476 1.00 0.00 C ATOM 2046 O VAL B 49 15.474 -1.668 -3.166 1.00 0.00 O ATOM 2047 CB VAL B 49 13.737 -3.650 -1.508 1.00 0.00 C ATOM 2048 CG1 VAL B 49 13.966 -4.993 -2.182 1.00 0.00 C ATOM 2049 CG2 VAL B 49 12.897 -3.822 -0.250 1.00 0.00 C ATOM 0 H VAL B 49 14.045 -1.210 -0.673 1.00 0.00 H new ATOM 0 HA VAL B 49 15.686 -3.633 -0.583 1.00 0.00 H new ATOM 0 HB VAL B 49 13.192 -3.012 -2.204 1.00 0.00 H new ATOM 0 HG11 VAL B 49 13.005 -5.459 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL B 49 14.517 -4.845 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL B 49 14.540 -5.640 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL B 49 11.958 -4.314 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL B 49 13.442 -4.431 0.471 1.00 0.00 H new ATOM 0 HG23 VAL B 49 12.689 -2.844 0.185 1.00 0.00 H new ATOM 2059 N PRO B 50 16.857 -3.414 -2.807 1.00 0.00 N ATOM 2060 CA PRO B 50 17.563 -3.296 -4.087 1.00 0.00 C ATOM 2061 C PRO B 50 16.601 -3.451 -5.259 1.00 0.00 C ATOM 2062 O PRO B 50 15.691 -4.271 -5.201 1.00 0.00 O ATOM 2063 CB PRO B 50 18.568 -4.457 -4.061 1.00 0.00 C ATOM 2064 CG PRO B 50 18.104 -5.357 -2.964 1.00 0.00 C ATOM 2065 CD PRO B 50 17.433 -4.468 -1.963 1.00 0.00 C ATOM 0 HA PRO B 50 18.038 -2.323 -4.212 1.00 0.00 H new ATOM 0 HB2 PRO B 50 18.589 -4.981 -5.017 1.00 0.00 H new ATOM 0 HB3 PRO B 50 19.580 -4.097 -3.873 1.00 0.00 H new ATOM 0 HG2 PRO B 50 17.413 -6.111 -3.342 1.00 0.00 H new ATOM 0 HG3 PRO B 50 18.942 -5.889 -2.514 1.00 0.00 H new ATOM 0 HD2 PRO B 50 16.667 -4.999 -1.398 1.00 0.00 H new ATOM 0 HD3 PRO B 50 18.141 -4.066 -1.239 1.00 0.00 H new ATOM 2073 N SER B 51 16.815 -2.667 -6.312 1.00 0.00 N ATOM 2074 CA SER B 51 15.915 -2.617 -7.462 1.00 0.00 C ATOM 2075 C SER B 51 15.574 -4.011 -7.995 1.00 0.00 C ATOM 2076 O SER B 51 14.431 -4.278 -8.368 1.00 0.00 O ATOM 2077 CB SER B 51 16.565 -1.782 -8.563 1.00 0.00 C ATOM 2078 OG SER B 51 17.256 -0.674 -8.009 1.00 0.00 O ATOM 0 H SER B 51 17.620 -2.046 -6.393 1.00 0.00 H new ATOM 0 HA SER B 51 14.979 -2.162 -7.139 1.00 0.00 H new ATOM 0 HB2 SER B 51 17.257 -2.400 -9.135 1.00 0.00 H new ATOM 0 HB3 SER B 51 15.803 -1.431 -9.258 1.00 0.00 H new ATOM 0 HG SER B 51 17.667 -0.152 -8.729 1.00 0.00 H new ATOM 2084 N GLU B 52 16.565 -4.896 -8.006 1.00 0.00 N ATOM 2085 CA GLU B 52 16.387 -6.255 -8.510 1.00 0.00 C ATOM 2086 C GLU B 52 15.306 -6.986 -7.718 1.00 0.00 C ATOM 2087 O GLU B 52 14.372 -7.548 -8.290 1.00 0.00 O ATOM 2088 CB GLU B 52 17.697 -7.050 -8.429 1.00 0.00 C ATOM 2089 CG GLU B 52 18.943 -6.257 -8.796 1.00 0.00 C ATOM 2090 CD GLU B 52 19.480 -5.454 -7.625 1.00 0.00 C ATOM 2091 OE1 GLU B 52 20.241 -6.021 -6.816 1.00 0.00 O ATOM 2092 OE2 GLU B 52 19.130 -4.263 -7.501 1.00 0.00 O ATOM 0 H GLU B 52 17.507 -4.695 -7.669 1.00 0.00 H new ATOM 0 HA GLU B 52 16.082 -6.179 -9.554 1.00 0.00 H new ATOM 0 HB2 GLU B 52 17.812 -7.433 -7.415 1.00 0.00 H new ATOM 0 HB3 GLU B 52 17.624 -7.914 -9.090 1.00 0.00 H new ATOM 0 HG2 GLU B 52 19.715 -6.940 -9.150 1.00 0.00 H new ATOM 0 HG3 GLU B 52 18.712 -5.583 -9.621 1.00 0.00 H new ATOM 2099 N SER B 53 15.434 -6.970 -6.401 1.00 0.00 N ATOM 2100 CA SER B 53 14.476 -7.639 -5.535 1.00 0.00 C ATOM 2101 C SER B 53 13.209 -6.797 -5.400 1.00 0.00 C ATOM 2102 O SER B 53 12.123 -7.323 -5.175 1.00 0.00 O ATOM 2103 CB SER B 53 15.100 -7.895 -4.158 1.00 0.00 C ATOM 2104 OG SER B 53 14.267 -8.715 -3.356 1.00 0.00 O ATOM 0 H SER B 53 16.193 -6.500 -5.907 1.00 0.00 H new ATOM 0 HA SER B 53 14.208 -8.598 -5.979 1.00 0.00 H new ATOM 0 HB2 SER B 53 16.073 -8.372 -4.281 1.00 0.00 H new ATOM 0 HB3 SER B 53 15.272 -6.945 -3.653 1.00 0.00 H new ATOM 0 HG SER B 53 14.693 -8.861 -2.485 1.00 0.00 H new ATOM 2110 N ARG B 54 13.371 -5.488 -5.559 1.00 0.00 N ATOM 2111 CA ARG B 54 12.275 -4.532 -5.459 1.00 0.00 C ATOM 2112 C ARG B 54 11.122 -4.921 -6.378 1.00 0.00 C ATOM 2113 O ARG B 54 9.969 -4.983 -5.947 1.00 0.00 O ATOM 2114 CB ARG B 54 12.792 -3.137 -5.816 1.00 0.00 C ATOM 2115 CG ARG B 54 11.818 -2.008 -5.535 1.00 0.00 C ATOM 2116 CD ARG B 54 12.420 -0.661 -5.912 1.00 0.00 C ATOM 2117 NE ARG B 54 13.686 -0.409 -5.224 1.00 0.00 N ATOM 2118 CZ ARG B 54 14.671 0.333 -5.728 1.00 0.00 C ATOM 2119 NH1 ARG B 54 14.508 0.955 -6.890 1.00 0.00 N ATOM 2120 NH2 ARG B 54 15.805 0.471 -5.053 1.00 0.00 N ATOM 0 H ARG B 54 14.273 -5.058 -5.762 1.00 0.00 H new ATOM 0 HA ARG B 54 11.898 -4.533 -4.436 1.00 0.00 H new ATOM 0 HB2 ARG B 54 13.711 -2.952 -5.260 1.00 0.00 H new ATOM 0 HB3 ARG B 54 13.051 -3.120 -6.875 1.00 0.00 H new ATOM 0 HG2 ARG B 54 10.898 -2.169 -6.096 1.00 0.00 H new ATOM 0 HG3 ARG B 54 11.551 -2.008 -4.478 1.00 0.00 H new ATOM 0 HD2 ARG B 54 12.581 -0.626 -6.989 1.00 0.00 H new ATOM 0 HD3 ARG B 54 11.713 0.132 -5.669 1.00 0.00 H new ATOM 0 HE ARG B 54 13.823 -0.826 -4.303 1.00 0.00 H new ATOM 0 HH11 ARG B 54 13.628 0.865 -7.398 1.00 0.00 H new ATOM 0 HH12 ARG B 54 15.263 1.523 -7.275 1.00 0.00 H new ATOM 0 HH21 ARG B 54 15.921 0.010 -4.151 1.00 0.00 H new ATOM 0 HH22 ARG B 54 16.561 1.038 -5.436 1.00 0.00 H new ATOM 2134 N GLN B 55 11.444 -5.198 -7.637 1.00 0.00 N ATOM 2135 CA GLN B 55 10.441 -5.617 -8.610 1.00 0.00 C ATOM 2136 C GLN B 55 9.786 -6.930 -8.200 1.00 0.00 C ATOM 2137 O GLN B 55 8.565 -7.066 -8.263 1.00 0.00 O ATOM 2138 CB GLN B 55 11.061 -5.752 -10.000 1.00 0.00 C ATOM 2139 CG GLN B 55 11.096 -4.447 -10.775 1.00 0.00 C ATOM 2140 CD GLN B 55 9.707 -3.871 -10.971 1.00 0.00 C ATOM 2141 OE1 GLN B 55 9.233 -3.068 -10.171 1.00 0.00 O ATOM 2142 NE2 GLN B 55 9.037 -4.294 -12.027 1.00 0.00 N ATOM 0 H GLN B 55 12.392 -5.140 -8.008 1.00 0.00 H new ATOM 0 HA GLN B 55 9.670 -4.847 -8.641 1.00 0.00 H new ATOM 0 HB2 GLN B 55 12.077 -6.134 -9.901 1.00 0.00 H new ATOM 0 HB3 GLN B 55 10.497 -6.490 -10.571 1.00 0.00 H new ATOM 0 HG2 GLN B 55 11.717 -3.726 -10.244 1.00 0.00 H new ATOM 0 HG3 GLN B 55 11.561 -4.614 -11.747 1.00 0.00 H new ATOM 0 HE21 GLN B 55 9.465 -4.962 -12.669 1.00 0.00 H new ATOM 0 HE22 GLN B 55 8.092 -3.953 -12.201 1.00 0.00 H new ATOM 2151 N ALA B 56 10.597 -7.883 -7.759 1.00 0.00 N ATOM 2152 CA ALA B 56 10.089 -9.187 -7.350 1.00 0.00 C ATOM 2153 C ALA B 56 9.113 -9.048 -6.185 1.00 0.00 C ATOM 2154 O ALA B 56 8.060 -9.692 -6.167 1.00 0.00 O ATOM 2155 CB ALA B 56 11.236 -10.115 -6.981 1.00 0.00 C ATOM 0 H ALA B 56 11.608 -7.778 -7.675 1.00 0.00 H new ATOM 0 HA ALA B 56 9.551 -9.623 -8.192 1.00 0.00 H new ATOM 0 HB1 ALA B 56 10.838 -11.083 -6.678 1.00 0.00 H new ATOM 0 HB2 ALA B 56 11.890 -10.245 -7.843 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.803 -9.682 -6.157 1.00 0.00 H new ATOM 2161 N VAL B 57 9.462 -8.195 -5.224 1.00 0.00 N ATOM 2162 CA VAL B 57 8.589 -7.920 -4.089 1.00 0.00 C ATOM 2163 C VAL B 57 7.313 -7.226 -4.557 1.00 0.00 C ATOM 2164 O VAL B 57 6.218 -7.591 -4.139 1.00 0.00 O ATOM 2165 CB VAL B 57 9.278 -7.037 -3.021 1.00 0.00 C ATOM 2166 CG1 VAL B 57 8.328 -6.742 -1.869 1.00 0.00 C ATOM 2167 CG2 VAL B 57 10.542 -7.704 -2.501 1.00 0.00 C ATOM 0 H VAL B 57 10.344 -7.683 -5.210 1.00 0.00 H new ATOM 0 HA VAL B 57 8.350 -8.882 -3.635 1.00 0.00 H new ATOM 0 HB VAL B 57 9.554 -6.094 -3.494 1.00 0.00 H new ATOM 0 HG11 VAL B 57 8.834 -6.120 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL B 57 7.451 -6.217 -2.246 1.00 0.00 H new ATOM 0 HG13 VAL B 57 8.018 -7.678 -1.404 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.009 -7.065 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.288 -8.664 -2.052 1.00 0.00 H new ATOM 0 HG23 VAL B 57 11.236 -7.862 -3.326 1.00 0.00 H new ATOM 2177 N ALA B 58 7.467 -6.237 -5.433 1.00 0.00 N ATOM 2178 CA ALA B 58 6.333 -5.480 -5.952 1.00 0.00 C ATOM 2179 C ALA B 58 5.345 -6.392 -6.673 1.00 0.00 C ATOM 2180 O ALA B 58 4.140 -6.336 -6.422 1.00 0.00 O ATOM 2181 CB ALA B 58 6.815 -4.377 -6.885 1.00 0.00 C ATOM 0 H ALA B 58 8.371 -5.940 -5.800 1.00 0.00 H new ATOM 0 HA ALA B 58 5.816 -5.025 -5.107 1.00 0.00 H new ATOM 0 HB1 ALA B 58 5.958 -3.821 -7.264 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.474 -3.701 -6.340 1.00 0.00 H new ATOM 0 HB3 ALA B 58 7.359 -4.819 -7.720 1.00 0.00 H new ATOM 2187 N GLU B 59 5.865 -7.240 -7.555 1.00 0.00 N ATOM 2188 CA GLU B 59 5.035 -8.183 -8.299 1.00 0.00 C ATOM 2189 C GLU B 59 4.320 -9.145 -7.351 1.00 0.00 C ATOM 2190 O GLU B 59 3.133 -9.429 -7.514 1.00 0.00 O ATOM 2191 CB GLU B 59 5.886 -8.974 -9.293 1.00 0.00 C ATOM 2192 CG GLU B 59 6.499 -8.126 -10.394 1.00 0.00 C ATOM 2193 CD GLU B 59 7.378 -8.941 -11.316 1.00 0.00 C ATOM 2194 OE1 GLU B 59 6.833 -9.737 -12.110 1.00 0.00 O ATOM 2195 OE2 GLU B 59 8.615 -8.821 -11.230 1.00 0.00 O ATOM 0 H GLU B 59 6.860 -7.294 -7.773 1.00 0.00 H new ATOM 0 HA GLU B 59 4.285 -7.612 -8.846 1.00 0.00 H new ATOM 0 HB2 GLU B 59 6.685 -9.479 -8.750 1.00 0.00 H new ATOM 0 HB3 GLU B 59 5.269 -9.750 -9.747 1.00 0.00 H new ATOM 0 HG2 GLU B 59 5.705 -7.655 -10.973 1.00 0.00 H new ATOM 0 HG3 GLU B 59 7.087 -7.324 -9.948 1.00 0.00 H new ATOM 2202 N GLN B 60 5.048 -9.630 -6.351 1.00 0.00 N ATOM 2203 CA GLN B 60 4.493 -10.576 -5.393 1.00 0.00 C ATOM 2204 C GLN B 60 3.452 -9.886 -4.515 1.00 0.00 C ATOM 2205 O GLN B 60 2.432 -10.473 -4.152 1.00 0.00 O ATOM 2206 CB GLN B 60 5.609 -11.163 -4.524 1.00 0.00 C ATOM 2207 CG GLN B 60 5.233 -12.469 -3.843 1.00 0.00 C ATOM 2208 CD GLN B 60 5.017 -13.597 -4.834 1.00 0.00 C ATOM 2209 OE1 GLN B 60 3.905 -13.825 -5.305 1.00 0.00 O ATOM 2210 NE2 GLN B 60 6.083 -14.307 -5.161 1.00 0.00 N ATOM 0 H GLN B 60 6.023 -9.383 -6.184 1.00 0.00 H new ATOM 0 HA GLN B 60 4.010 -11.386 -5.940 1.00 0.00 H new ATOM 0 HB2 GLN B 60 6.491 -11.328 -5.143 1.00 0.00 H new ATOM 0 HB3 GLN B 60 5.886 -10.434 -3.763 1.00 0.00 H new ATOM 0 HG2 GLN B 60 6.020 -12.750 -3.143 1.00 0.00 H new ATOM 0 HG3 GLN B 60 4.324 -12.323 -3.259 1.00 0.00 H new ATOM 0 HE21 GLN B 60 6.989 -14.086 -4.748 1.00 0.00 H new ATOM 0 HE22 GLN B 60 5.999 -15.076 -5.826 1.00 0.00 H new ATOM 2219 N PHE B 61 3.724 -8.631 -4.182 1.00 0.00 N ATOM 2220 CA PHE B 61 2.806 -7.820 -3.397 1.00 0.00 C ATOM 2221 C PHE B 61 1.515 -7.586 -4.170 1.00 0.00 C ATOM 2222 O PHE B 61 0.421 -7.747 -3.630 1.00 0.00 O ATOM 2223 CB PHE B 61 3.466 -6.483 -3.043 1.00 0.00 C ATOM 2224 CG PHE B 61 2.588 -5.556 -2.249 1.00 0.00 C ATOM 2225 CD1 PHE B 61 2.450 -5.713 -0.881 1.00 0.00 C ATOM 2226 CD2 PHE B 61 1.901 -4.526 -2.875 1.00 0.00 C ATOM 2227 CE1 PHE B 61 1.643 -4.862 -0.152 1.00 0.00 C ATOM 2228 CE2 PHE B 61 1.091 -3.674 -2.151 1.00 0.00 C ATOM 2229 CZ PHE B 61 0.963 -3.841 -0.787 1.00 0.00 C ATOM 0 H PHE B 61 4.583 -8.149 -4.447 1.00 0.00 H new ATOM 0 HA PHE B 61 2.564 -8.349 -2.475 1.00 0.00 H new ATOM 0 HB2 PHE B 61 4.376 -6.678 -2.476 1.00 0.00 H new ATOM 0 HB3 PHE B 61 3.765 -5.983 -3.964 1.00 0.00 H new ATOM 0 HD1 PHE B 61 2.979 -6.509 -0.378 1.00 0.00 H new ATOM 0 HD2 PHE B 61 2.001 -4.389 -3.942 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.543 -4.995 0.915 1.00 0.00 H new ATOM 0 HE2 PHE B 61 0.559 -2.878 -2.651 1.00 0.00 H new ATOM 0 HZ PHE B 61 0.332 -3.175 -0.217 1.00 0.00 H new ATOM 2239 N ALA B 62 1.658 -7.219 -5.439 1.00 0.00 N ATOM 2240 CA ALA B 62 0.515 -6.992 -6.315 1.00 0.00 C ATOM 2241 C ALA B 62 -0.350 -8.241 -6.406 1.00 0.00 C ATOM 2242 O ALA B 62 -1.579 -8.166 -6.370 1.00 0.00 O ATOM 2243 CB ALA B 62 0.993 -6.577 -7.697 1.00 0.00 C ATOM 0 H ALA B 62 2.563 -7.071 -5.887 1.00 0.00 H new ATOM 0 HA ALA B 62 -0.090 -6.189 -5.895 1.00 0.00 H new ATOM 0 HB1 ALA B 62 0.132 -6.410 -8.345 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.574 -5.658 -7.620 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.616 -7.366 -8.118 1.00 0.00 H new ATOM 2249 N LYS B 63 0.308 -9.388 -6.512 1.00 0.00 N ATOM 2250 CA LYS B 63 -0.377 -10.669 -6.564 1.00 0.00 C ATOM 2251 C LYS B 63 -1.173 -10.908 -5.284 1.00 0.00 C ATOM 2252 O LYS B 63 -2.368 -11.192 -5.336 1.00 0.00 O ATOM 2253 CB LYS B 63 0.636 -11.795 -6.762 1.00 0.00 C ATOM 2254 CG LYS B 63 0.013 -13.180 -6.814 1.00 0.00 C ATOM 2255 CD LYS B 63 1.080 -14.257 -6.894 1.00 0.00 C ATOM 2256 CE LYS B 63 1.912 -14.122 -8.157 1.00 0.00 C ATOM 2257 NZ LYS B 63 3.069 -15.049 -8.153 1.00 0.00 N ATOM 0 H LYS B 63 1.324 -9.455 -6.564 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.069 -10.655 -7.406 1.00 0.00 H new ATOM 0 HB2 LYS B 63 1.184 -11.619 -7.687 1.00 0.00 H new ATOM 0 HB3 LYS B 63 1.363 -11.764 -5.950 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -0.602 -13.339 -5.929 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -0.647 -13.253 -7.678 1.00 0.00 H new ATOM 0 HD2 LYS B 63 1.729 -14.193 -6.021 1.00 0.00 H new ATOM 0 HD3 LYS B 63 0.609 -15.240 -6.870 1.00 0.00 H new ATOM 0 HE2 LYS B 63 1.287 -14.323 -9.027 1.00 0.00 H new ATOM 0 HE3 LYS B 63 2.268 -13.096 -8.250 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 3.669 -14.858 -8.980 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 3.623 -14.909 -7.284 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 2.728 -16.031 -8.192 1.00 0.00 H new ATOM 2271 N ALA B 64 -0.506 -10.770 -4.142 1.00 0.00 N ATOM 2272 CA ALA B 64 -1.140 -10.984 -2.846 1.00 0.00 C ATOM 2273 C ALA B 64 -2.307 -10.023 -2.636 1.00 0.00 C ATOM 2274 O ALA B 64 -3.363 -10.409 -2.127 1.00 0.00 O ATOM 2275 CB ALA B 64 -0.120 -10.826 -1.727 1.00 0.00 C ATOM 0 H ALA B 64 0.479 -10.509 -4.089 1.00 0.00 H new ATOM 0 HA ALA B 64 -1.533 -12.001 -2.828 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -0.607 -10.988 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA B 64 0.679 -11.556 -1.857 1.00 0.00 H new ATOM 0 HB3 ALA B 64 0.299 -9.820 -1.756 1.00 0.00 H new ATOM 2281 N LEU B 65 -2.104 -8.774 -3.035 1.00 0.00 N ATOM 2282 CA LEU B 65 -3.130 -7.745 -2.927 1.00 0.00 C ATOM 2283 C LEU B 65 -4.363 -8.146 -3.733 1.00 0.00 C ATOM 2284 O LEU B 65 -5.474 -8.218 -3.203 1.00 0.00 O ATOM 2285 CB LEU B 65 -2.577 -6.415 -3.449 1.00 0.00 C ATOM 2286 CG LEU B 65 -3.266 -5.152 -2.928 1.00 0.00 C ATOM 2287 CD1 LEU B 65 -2.881 -4.896 -1.479 1.00 0.00 C ATOM 2288 CD2 LEU B 65 -2.905 -3.954 -3.793 1.00 0.00 C ATOM 0 H LEU B 65 -1.227 -8.447 -3.441 1.00 0.00 H new ATOM 0 HA LEU B 65 -3.416 -7.633 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.519 -6.359 -3.194 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.643 -6.419 -4.537 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.345 -5.302 -2.978 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -3.380 -3.994 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -3.186 -5.744 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -1.801 -4.766 -1.407 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -3.403 -3.064 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -1.826 -3.803 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.227 -4.136 -4.818 1.00 0.00 H new ATOM 2300 N ALA B 66 -4.142 -8.442 -5.011 1.00 0.00 N ATOM 2301 CA ALA B 66 -5.221 -8.812 -5.916 1.00 0.00 C ATOM 2302 C ALA B 66 -5.886 -10.113 -5.485 1.00 0.00 C ATOM 2303 O ALA B 66 -7.103 -10.247 -5.562 1.00 0.00 O ATOM 2304 CB ALA B 66 -4.698 -8.932 -7.340 1.00 0.00 C ATOM 0 H ALA B 66 -3.218 -8.432 -5.443 1.00 0.00 H new ATOM 0 HA ALA B 66 -5.973 -8.024 -5.880 1.00 0.00 H new ATOM 0 HB1 ALA B 66 -5.515 -9.209 -8.006 1.00 0.00 H new ATOM 0 HB2 ALA B 66 -4.281 -7.976 -7.656 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -3.923 -9.697 -7.380 1.00 0.00 H new ATOM 2310 N GLN B 67 -5.080 -11.064 -5.021 1.00 0.00 N ATOM 2311 CA GLN B 67 -5.591 -12.352 -4.554 1.00 0.00 C ATOM 2312 C GLN B 67 -6.575 -12.154 -3.406 1.00 0.00 C ATOM 2313 O GLN B 67 -7.605 -12.828 -3.328 1.00 0.00 O ATOM 2314 CB GLN B 67 -4.433 -13.248 -4.102 1.00 0.00 C ATOM 2315 CG GLN B 67 -4.859 -14.640 -3.662 1.00 0.00 C ATOM 2316 CD GLN B 67 -5.471 -15.450 -4.788 1.00 0.00 C ATOM 2317 OE1 GLN B 67 -6.683 -15.421 -5.005 1.00 0.00 O ATOM 2318 NE2 GLN B 67 -4.637 -16.184 -5.506 1.00 0.00 N ATOM 0 H GLN B 67 -4.067 -10.967 -4.958 1.00 0.00 H new ATOM 0 HA GLN B 67 -6.113 -12.835 -5.380 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -3.719 -13.340 -4.920 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -3.912 -12.762 -3.277 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -3.994 -15.172 -3.267 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -5.580 -14.554 -2.849 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -3.640 -16.179 -5.292 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -4.991 -16.755 -6.273 1.00 0.00 H new ATOM 2327 N SER B 68 -6.260 -11.214 -2.528 1.00 0.00 N ATOM 2328 CA SER B 68 -7.118 -10.914 -1.394 1.00 0.00 C ATOM 2329 C SER B 68 -8.454 -10.350 -1.873 1.00 0.00 C ATOM 2330 O SER B 68 -9.514 -10.687 -1.343 1.00 0.00 O ATOM 2331 CB SER B 68 -6.424 -9.920 -0.464 1.00 0.00 C ATOM 2332 OG SER B 68 -5.146 -10.401 -0.075 1.00 0.00 O ATOM 0 H SER B 68 -5.415 -10.645 -2.580 1.00 0.00 H new ATOM 0 HA SER B 68 -7.310 -11.835 -0.844 1.00 0.00 H new ATOM 0 HB2 SER B 68 -6.318 -8.958 -0.966 1.00 0.00 H new ATOM 0 HB3 SER B 68 -7.039 -9.752 0.420 1.00 0.00 H new ATOM 0 HG SER B 68 -4.551 -10.416 -0.854 1.00 0.00 H new ATOM 2338 N VAL B 69 -8.392 -9.509 -2.898 1.00 0.00 N ATOM 2339 CA VAL B 69 -9.589 -8.907 -3.470 1.00 0.00 C ATOM 2340 C VAL B 69 -10.398 -9.942 -4.253 1.00 0.00 C ATOM 2341 O VAL B 69 -11.630 -9.900 -4.265 1.00 0.00 O ATOM 2342 CB VAL B 69 -9.233 -7.718 -4.389 1.00 0.00 C ATOM 2343 CG1 VAL B 69 -10.490 -7.056 -4.934 1.00 0.00 C ATOM 2344 CG2 VAL B 69 -8.379 -6.702 -3.644 1.00 0.00 C ATOM 0 H VAL B 69 -7.522 -9.228 -3.351 1.00 0.00 H new ATOM 0 HA VAL B 69 -10.195 -8.536 -2.643 1.00 0.00 H new ATOM 0 HB VAL B 69 -8.658 -8.104 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -10.212 -6.222 -5.578 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -11.064 -7.783 -5.509 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -11.096 -6.689 -4.106 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -8.139 -5.872 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -8.929 -6.328 -2.780 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -7.457 -7.177 -3.309 1.00 0.00 H new ATOM 2354 N LYS B 70 -9.704 -10.872 -4.901 1.00 0.00 N ATOM 2355 CA LYS B 70 -10.367 -11.950 -5.631 1.00 0.00 C ATOM 2356 C LYS B 70 -11.198 -12.808 -4.688 1.00 0.00 C ATOM 2357 O LYS B 70 -12.333 -13.162 -4.999 1.00 0.00 O ATOM 2358 CB LYS B 70 -9.352 -12.843 -6.349 1.00 0.00 C ATOM 2359 CG LYS B 70 -8.637 -12.178 -7.512 1.00 0.00 C ATOM 2360 CD LYS B 70 -7.698 -13.158 -8.196 1.00 0.00 C ATOM 2361 CE LYS B 70 -6.960 -12.520 -9.359 1.00 0.00 C ATOM 2362 NZ LYS B 70 -7.883 -12.044 -10.424 1.00 0.00 N ATOM 0 H LYS B 70 -8.685 -10.902 -4.936 1.00 0.00 H new ATOM 0 HA LYS B 70 -11.017 -11.484 -6.371 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.608 -13.179 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -9.865 -13.732 -6.715 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -9.368 -11.806 -8.230 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -8.074 -11.316 -7.154 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -6.976 -13.535 -7.471 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -8.267 -14.016 -8.554 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -6.368 -11.681 -8.994 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -6.262 -13.242 -9.783 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -7.335 -11.789 -11.270 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.557 -12.799 -10.663 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -8.404 -11.210 -10.085 1.00 0.00 H new ATOM 2376 N SER B 71 -10.632 -13.119 -3.527 1.00 0.00 N ATOM 2377 CA SER B 71 -11.292 -13.993 -2.566 1.00 0.00 C ATOM 2378 C SER B 71 -12.474 -13.284 -1.898 1.00 0.00 C ATOM 2379 O SER B 71 -13.242 -13.898 -1.156 1.00 0.00 O ATOM 2380 CB SER B 71 -10.292 -14.483 -1.514 1.00 0.00 C ATOM 2381 OG SER B 71 -10.799 -15.605 -0.809 1.00 0.00 O ATOM 0 H SER B 71 -9.718 -12.779 -3.229 1.00 0.00 H new ATOM 0 HA SER B 71 -11.681 -14.857 -3.105 1.00 0.00 H new ATOM 0 HB2 SER B 71 -9.352 -14.748 -1.998 1.00 0.00 H new ATOM 0 HB3 SER B 71 -10.074 -13.678 -0.813 1.00 0.00 H new ATOM 0 HG SER B 71 -11.547 -15.995 -1.309 1.00 0.00 H new ATOM 2387 N ASN B 72 -12.616 -11.988 -2.159 1.00 0.00 N ATOM 2388 CA ASN B 72 -13.791 -11.248 -1.715 1.00 0.00 C ATOM 2389 C ASN B 72 -15.002 -11.689 -2.528 1.00 0.00 C ATOM 2390 O ASN B 72 -16.143 -11.632 -2.066 1.00 0.00 O ATOM 2391 CB ASN B 72 -13.565 -9.737 -1.866 1.00 0.00 C ATOM 2392 CG ASN B 72 -14.799 -8.914 -1.538 1.00 0.00 C ATOM 2393 OD1 ASN B 72 -15.034 -8.553 -0.387 1.00 0.00 O ATOM 2394 ND2 ASN B 72 -15.588 -8.592 -2.553 1.00 0.00 N ATOM 0 H ASN B 72 -11.934 -11.431 -2.674 1.00 0.00 H new ATOM 0 HA ASN B 72 -13.969 -11.459 -0.661 1.00 0.00 H new ATOM 0 HB2 ASN B 72 -12.747 -9.431 -1.213 1.00 0.00 H new ATOM 0 HB3 ASN B 72 -13.254 -9.523 -2.888 1.00 0.00 H new ATOM 0 HD21 ASN B 72 -16.422 -8.027 -2.392 1.00 0.00 H new ATOM 0 HD22 ASN B 72 -15.362 -8.909 -3.496 1.00 0.00 H new ATOM 2401 N LEU B 73 -14.736 -12.135 -3.745 1.00 0.00 N ATOM 2402 CA LEU B 73 -15.770 -12.654 -4.624 1.00 0.00 C ATOM 2403 C LEU B 73 -15.741 -14.175 -4.601 1.00 0.00 C ATOM 2404 O LEU B 73 -16.756 -14.825 -4.357 1.00 0.00 O ATOM 2405 CB LEU B 73 -15.561 -12.131 -6.049 1.00 0.00 C ATOM 2406 CG LEU B 73 -15.579 -10.606 -6.185 1.00 0.00 C ATOM 2407 CD1 LEU B 73 -15.219 -10.192 -7.602 1.00 0.00 C ATOM 2408 CD2 LEU B 73 -16.944 -10.054 -5.796 1.00 0.00 C ATOM 0 H LEU B 73 -13.800 -12.147 -4.150 1.00 0.00 H new ATOM 0 HA LEU B 73 -16.746 -12.315 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -14.606 -12.503 -6.421 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -16.337 -12.548 -6.691 1.00 0.00 H new ATOM 0 HG LEU B 73 -14.833 -10.190 -5.508 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -15.237 -9.105 -7.679 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -14.221 -10.556 -7.845 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -15.940 -10.617 -8.300 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -16.940 -8.969 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -17.707 -10.477 -6.449 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -17.163 -10.320 -4.762 1.00 0.00 H new ATOM 2420 N GLU B 74 -14.558 -14.731 -4.835 1.00 0.00 N ATOM 2421 CA GLU B 74 -14.354 -16.170 -4.775 1.00 0.00 C ATOM 2422 C GLU B 74 -14.168 -16.600 -3.326 1.00 0.00 C ATOM 2423 O GLU B 74 -13.103 -16.407 -2.735 1.00 0.00 O ATOM 2424 CB GLU B 74 -13.137 -16.575 -5.611 1.00 0.00 C ATOM 2425 CG GLU B 74 -13.228 -16.145 -7.067 1.00 0.00 C ATOM 2426 CD GLU B 74 -12.011 -16.548 -7.873 1.00 0.00 C ATOM 2427 OE1 GLU B 74 -11.973 -17.697 -8.366 1.00 0.00 O ATOM 2428 OE2 GLU B 74 -11.087 -15.720 -8.020 1.00 0.00 O ATOM 0 H GLU B 74 -13.720 -14.200 -5.070 1.00 0.00 H new ATOM 0 HA GLU B 74 -15.231 -16.670 -5.186 1.00 0.00 H new ATOM 0 HB2 GLU B 74 -12.241 -16.140 -5.168 1.00 0.00 H new ATOM 0 HB3 GLU B 74 -13.021 -17.658 -5.567 1.00 0.00 H new ATOM 0 HG2 GLU B 74 -14.118 -16.585 -7.516 1.00 0.00 H new ATOM 0 HG3 GLU B 74 -13.348 -15.063 -7.115 1.00 0.00 H new ATOM 2435 N HIS B 75 -15.213 -17.172 -2.756 1.00 0.00 N ATOM 2436 CA HIS B 75 -15.226 -17.522 -1.343 1.00 0.00 C ATOM 2437 C HIS B 75 -14.522 -18.849 -1.100 1.00 0.00 C ATOM 2438 O HIS B 75 -13.747 -19.313 -1.939 1.00 0.00 O ATOM 2439 CB HIS B 75 -16.665 -17.583 -0.829 1.00 0.00 C ATOM 2440 CG HIS B 75 -17.352 -16.256 -0.841 1.00 0.00 C ATOM 2441 ND1 HIS B 75 -18.681 -16.090 -1.163 1.00 0.00 N ATOM 2442 CD2 HIS B 75 -16.882 -15.022 -0.552 1.00 0.00 C ATOM 2443 CE1 HIS B 75 -18.996 -14.813 -1.071 1.00 0.00 C ATOM 2444 NE2 HIS B 75 -17.921 -14.143 -0.702 1.00 0.00 N ATOM 0 H HIS B 75 -16.072 -17.407 -3.253 1.00 0.00 H new ATOM 0 HA HIS B 75 -14.686 -16.749 -0.796 1.00 0.00 H new ATOM 0 HB2 HIS B 75 -17.233 -18.284 -1.441 1.00 0.00 H new ATOM 0 HB3 HIS B 75 -16.664 -17.975 0.188 1.00 0.00 H new ATOM 0 HD2 HIS B 75 -15.873 -14.775 -0.257 1.00 0.00 H new ATOM 0 HE1 HIS B 75 -19.969 -14.387 -1.265 1.00 0.00 H new ATOM 0 HE2 HIS B 75 -17.872 -13.135 -0.553 1.00 0.00 H new ATOM 2453 N HIS B 76 -14.778 -19.447 0.061 1.00 0.00 N ATOM 2454 CA HIS B 76 -14.168 -20.719 0.419 1.00 0.00 C ATOM 2455 C HIS B 76 -14.505 -21.769 -0.634 1.00 0.00 C ATOM 2456 O HIS B 76 -15.675 -21.980 -0.961 1.00 0.00 O ATOM 2457 CB HIS B 76 -14.649 -21.164 1.801 1.00 0.00 C ATOM 2458 CG HIS B 76 -13.792 -22.221 2.428 1.00 0.00 C ATOM 2459 ND1 HIS B 76 -12.637 -21.937 3.118 1.00 0.00 N ATOM 2460 CD2 HIS B 76 -13.935 -23.563 2.476 1.00 0.00 C ATOM 2461 CE1 HIS B 76 -12.106 -23.061 3.564 1.00 0.00 C ATOM 2462 NE2 HIS B 76 -12.876 -24.065 3.189 1.00 0.00 N ATOM 0 H HIS B 76 -15.406 -19.068 0.770 1.00 0.00 H new ATOM 0 HA HIS B 76 -13.085 -20.599 0.456 1.00 0.00 H new ATOM 0 HB2 HIS B 76 -14.681 -20.297 2.461 1.00 0.00 H new ATOM 0 HB3 HIS B 76 -15.669 -21.539 1.717 1.00 0.00 H new ATOM 0 HD2 HIS B 76 -14.737 -24.136 2.034 1.00 0.00 H new ATOM 0 HE1 HIS B 76 -11.195 -23.144 4.139 1.00 0.00 H new ATOM 0 HE2 HIS B 76 -12.711 -25.050 3.395 1.00 0.00 H new ATOM 2471 N HIS B 77 -13.471 -22.417 -1.156 1.00 0.00 N ATOM 2472 CA HIS B 77 -13.611 -23.313 -2.299 1.00 0.00 C ATOM 2473 C HIS B 77 -14.491 -24.518 -1.976 1.00 0.00 C ATOM 2474 O HIS B 77 -15.581 -24.659 -2.530 1.00 0.00 O ATOM 2475 CB HIS B 77 -12.234 -23.767 -2.798 1.00 0.00 C ATOM 2476 CG HIS B 77 -11.450 -22.669 -3.459 1.00 0.00 C ATOM 2477 ND1 HIS B 77 -10.211 -22.242 -3.018 1.00 0.00 N ATOM 2478 CD2 HIS B 77 -11.736 -21.914 -4.546 1.00 0.00 C ATOM 2479 CE1 HIS B 77 -9.777 -21.275 -3.803 1.00 0.00 C ATOM 2480 NE2 HIS B 77 -10.682 -21.058 -4.738 1.00 0.00 N ATOM 0 H HIS B 77 -12.517 -22.338 -0.802 1.00 0.00 H new ATOM 0 HA HIS B 77 -14.106 -22.754 -3.093 1.00 0.00 H new ATOM 0 HB2 HIS B 77 -11.661 -24.158 -1.957 1.00 0.00 H new ATOM 0 HB3 HIS B 77 -12.363 -24.587 -3.504 1.00 0.00 H new ATOM 0 HD2 HIS B 77 -12.629 -21.975 -5.150 1.00 0.00 H new ATOM 0 HE1 HIS B 77 -8.839 -20.750 -3.698 1.00 0.00 H new ATOM 0 HE2 HIS B 77 -10.609 -20.365 -5.483 1.00 0.00 H new ATOM 2489 N HIS B 78 -14.033 -25.384 -1.085 1.00 0.00 N ATOM 2490 CA HIS B 78 -14.804 -26.574 -0.748 1.00 0.00 C ATOM 2491 C HIS B 78 -15.194 -26.570 0.724 1.00 0.00 C ATOM 2492 O HIS B 78 -14.340 -26.476 1.601 1.00 0.00 O ATOM 2493 CB HIS B 78 -14.015 -27.847 -1.074 1.00 0.00 C ATOM 2494 CG HIS B 78 -14.815 -29.107 -0.907 1.00 0.00 C ATOM 2495 ND1 HIS B 78 -14.703 -29.928 0.194 1.00 0.00 N ATOM 2496 CD2 HIS B 78 -15.748 -29.681 -1.706 1.00 0.00 C ATOM 2497 CE1 HIS B 78 -15.530 -30.949 0.065 1.00 0.00 C ATOM 2498 NE2 HIS B 78 -16.173 -30.824 -1.077 1.00 0.00 N ATOM 0 H HIS B 78 -13.147 -25.290 -0.589 1.00 0.00 H new ATOM 0 HA HIS B 78 -15.712 -26.561 -1.351 1.00 0.00 H new ATOM 0 HB2 HIS B 78 -13.654 -27.788 -2.101 1.00 0.00 H new ATOM 0 HB3 HIS B 78 -13.137 -27.896 -0.430 1.00 0.00 H new ATOM 0 HD2 HIS B 78 -16.092 -29.308 -2.659 1.00 0.00 H new ATOM 0 HE1 HIS B 78 -15.658 -31.752 0.776 1.00 0.00 H new ATOM 0 HE2 HIS B 78 -16.874 -31.472 -1.436 1.00 0.00 H new ATOM 2507 N HIS B 79 -16.489 -26.664 0.979 1.00 0.00 N ATOM 2508 CA HIS B 79 -17.004 -26.736 2.343 1.00 0.00 C ATOM 2509 C HIS B 79 -18.043 -27.847 2.436 1.00 0.00 C ATOM 2510 O HIS B 79 -18.068 -28.620 3.394 1.00 0.00 O ATOM 2511 CB HIS B 79 -17.624 -25.391 2.755 1.00 0.00 C ATOM 2512 CG HIS B 79 -18.134 -25.352 4.172 1.00 0.00 C ATOM 2513 ND1 HIS B 79 -17.457 -24.731 5.202 1.00 0.00 N ATOM 2514 CD2 HIS B 79 -19.269 -25.852 4.725 1.00 0.00 C ATOM 2515 CE1 HIS B 79 -18.149 -24.853 6.320 1.00 0.00 C ATOM 2516 NE2 HIS B 79 -19.250 -25.528 6.058 1.00 0.00 N ATOM 0 H HIS B 79 -17.209 -26.693 0.257 1.00 0.00 H new ATOM 0 HA HIS B 79 -16.181 -26.955 3.023 1.00 0.00 H new ATOM 0 HB2 HIS B 79 -16.878 -24.606 2.628 1.00 0.00 H new ATOM 0 HB3 HIS B 79 -18.447 -25.161 2.078 1.00 0.00 H new ATOM 0 HD2 HIS B 79 -20.043 -26.403 4.211 1.00 0.00 H new ATOM 0 HE1 HIS B 79 -17.861 -24.465 7.286 1.00 0.00 H new ATOM 0 HE2 HIS B 79 -19.972 -25.770 6.737 1.00 0.00 H new ATOM 2525 N HIS B 80 -18.894 -27.913 1.429 1.00 0.00 N ATOM 2526 CA HIS B 80 -19.949 -28.907 1.374 1.00 0.00 C ATOM 2527 C HIS B 80 -19.704 -29.842 0.197 1.00 0.00 C ATOM 2528 O HIS B 80 -20.114 -29.494 -0.929 1.00 0.00 O ATOM 2529 CB HIS B 80 -21.309 -28.210 1.238 1.00 0.00 C ATOM 2530 CG HIS B 80 -22.489 -29.139 1.240 1.00 0.00 C ATOM 2531 ND1 HIS B 80 -22.827 -29.923 0.161 1.00 0.00 N ATOM 2532 CD2 HIS B 80 -23.425 -29.385 2.187 1.00 0.00 C ATOM 2533 CE1 HIS B 80 -23.920 -30.607 0.441 1.00 0.00 C ATOM 2534 NE2 HIS B 80 -24.306 -30.301 1.665 1.00 0.00 N ATOM 2535 OXT HIS B 80 -19.074 -30.898 0.397 1.00 0.00 O ATOM 0 H HIS B 80 -18.873 -27.281 0.629 1.00 0.00 H new ATOM 0 HA HIS B 80 -19.951 -29.493 2.293 1.00 0.00 H new ATOM 0 HB2 HIS B 80 -21.422 -27.499 2.056 1.00 0.00 H new ATOM 0 HB3 HIS B 80 -21.317 -27.635 0.312 1.00 0.00 H new ATOM 0 HD1 HIS B 80 -22.313 -29.968 -0.719 1.00 0.00 H new ATOM 0 HD2 HIS B 80 -23.471 -28.943 3.171 1.00 0.00 H new ATOM 0 HE1 HIS B 80 -24.416 -31.301 -0.221 1.00 0.00 H new TER 2544 HIS B 80