USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1276 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 17 THR OG1 : rot 124:sc= 0.786! USER MOD Set 1.2: B 20 SER OG : rot 147:sc= 1.61 USER MOD Set 2.1: B 1 MET CE :methyl -133:sc= -0.0724 (180deg=-0.584) USER MOD Set 2.2: B 5 ASN : amide:sc=-0.00845 X(o=-0.081,f=-0.14) USER MOD Set 3.1: A 17 THR OG1 : rot 20:sc= 0.516 USER MOD Set 3.2: A 20 SER OG : rot -26:sc= 1.14 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.866 F(o=-3.5!,f=-0.87) USER MOD Single : A 8 LYS NZ :NH3+ -125:sc= -0.164 (180deg=-1.12) USER MOD Single : A 15 SER OG : rot 52:sc= 0.11 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 174:sc= -0.732 (180deg=-0.904) USER MOD Single : A 28 SER OG : rot 180:sc= 0.11 USER MOD Single : A 30 GLN : amide:sc= -0.204 K(o=-0.2,f=-0.87) USER MOD Single : A 31 GLN : amide:sc= 0.511 K(o=0.51,f=-6.9!) USER MOD Single : A 33 CYS SG : rot 73:sc= 1.24 USER MOD Single : A 34 ASN : amide:sc= -0.0117 K(o=-0.012,f=-1.2!) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 148:sc= -2.87! (180deg=-4.44!) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0123 USER MOD Single : A 53 SER OG : rot 81:sc= 0.472 USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= -0.0404 (180deg=-0.385) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.422 F(o=-2.1!,f=-0.42) USER MOD Single : A 68 ASN : amide:sc= -1.09! X(o=-1.1!,f=-1) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -2.21! C(o=-2.2!,f=-2.4!) USER MOD Single : A 73 HIS : no HD1:sc=-0.00228 K(o=-0.0023,f=-0.98) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 75 HIS :FLIP no HD1:sc= 0.114 F(o=-1.9!,f=0.11) USER MOD Single : A 76 HIS :FLIP no HD1:sc= 0.0217 F(o=-3.2!,f=0.022) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD Single : B 1 MET N :NH3+ -160:sc= -0.0399 (180deg=-0.593) USER MOD Single : B 4 SER OG : rot 125:sc= 0.438! USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 42:sc= 0.444 USER MOD Single : B 19 LYS NZ :NH3+ 158:sc= -0.0918 (180deg=-0.615) USER MOD Single : B 25 MET CE :methyl 139:sc= -0.79 (180deg=-5.45!) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 GLN : amide:sc= -2.07! C(o=-2.1!,f=-2.6!) USER MOD Single : B 33 CYS SG : rot 72:sc= 0.643 USER MOD Single : B 34 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.7!) USER MOD Single : B 37 GLN : amide:sc= -0.0189 K(o=-0.019,f=-1.3!) USER MOD Single : B 38 SER OG : rot 180:sc= 0 USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ 158:sc= -3.2! (180deg=-3.66!) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 SER OG : rot 68:sc= 0.664 USER MOD Single : B 54 LYS NZ :NH3+ -163:sc= -0.32 (180deg=-0.443) USER MOD Single : B 59 ASN : amide:sc= -0.185 X(o=-0.19,f=-0.39) USER MOD Single : B 68 ASN : amide:sc= 0.0354 K(o=0.035,f=-1.1) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 73 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=-0.065) USER MOD Single : B 74 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-3.3!) USER MOD Single : B 75 HIS : no HD1:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : B 76 HIS :FLIP no HD1:sc= -2.96! C(o=-4.3!,f=-3!) USER MOD Single : B 77 HIS : no HD1:sc= -0.709 K(o=-0.71,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.530 14.485 9.921 1.00 0.00 N ATOM 2 CA MET A 1 9.404 14.485 8.945 1.00 0.00 C ATOM 3 C MET A 1 9.152 13.053 8.466 1.00 0.00 C ATOM 4 O MET A 1 9.567 12.662 7.392 1.00 0.00 O ATOM 5 CB MET A 1 9.770 15.373 7.753 1.00 0.00 C ATOM 6 CG MET A 1 8.592 15.440 6.777 1.00 0.00 C ATOM 7 SD MET A 1 8.990 16.586 5.431 1.00 0.00 S ATOM 8 CE MET A 1 8.235 18.065 6.152 1.00 0.00 C ATOM 0 H1 MET A 1 10.705 15.456 10.249 1.00 0.00 H new ATOM 0 H2 MET A 1 10.285 13.884 10.733 1.00 0.00 H new ATOM 0 H3 MET A 1 11.387 14.115 9.462 1.00 0.00 H new ATOM 0 HA MET A 1 8.502 14.871 9.419 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.026 16.375 8.099 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.651 14.976 7.248 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.382 14.449 6.375 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.693 15.771 7.297 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.367 18.908 5.474 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.171 17.890 6.311 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.712 18.289 7.106 1.00 0.00 H new ATOM 20 N GLU A 2 8.483 12.262 9.263 1.00 0.00 N ATOM 21 CA GLU A 2 8.210 10.850 8.866 1.00 0.00 C ATOM 22 C GLU A 2 7.067 10.800 7.848 1.00 0.00 C ATOM 23 O GLU A 2 6.424 11.793 7.569 1.00 0.00 O ATOM 24 CB GLU A 2 7.828 10.039 10.105 1.00 0.00 C ATOM 25 CG GLU A 2 9.045 9.907 11.022 1.00 0.00 C ATOM 26 CD GLU A 2 8.654 9.124 12.276 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.495 8.761 12.385 1.00 0.00 O ATOM 28 OE2 GLU A 2 9.521 8.901 13.106 1.00 0.00 O ATOM 0 H GLU A 2 8.113 12.534 10.174 1.00 0.00 H new ATOM 0 HA GLU A 2 9.106 10.427 8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.011 10.528 10.635 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.472 9.052 9.811 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.854 9.397 10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.415 10.894 11.297 1.00 0.00 H new ATOM 35 N LEU A 3 6.817 9.646 7.285 1.00 0.00 N ATOM 36 CA LEU A 3 5.722 9.523 6.276 1.00 0.00 C ATOM 37 C LEU A 3 4.379 9.861 6.927 1.00 0.00 C ATOM 38 O LEU A 3 3.572 10.585 6.377 1.00 0.00 O ATOM 39 CB LEU A 3 5.687 8.080 5.750 1.00 0.00 C ATOM 40 CG LEU A 3 4.545 7.900 4.740 1.00 0.00 C ATOM 41 CD1 LEU A 3 4.703 8.892 3.576 1.00 0.00 C ATOM 42 CD2 LEU A 3 4.582 6.464 4.204 1.00 0.00 C ATOM 0 H LEU A 3 7.324 8.783 7.480 1.00 0.00 H new ATOM 0 HA LEU A 3 5.904 10.214 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.639 7.836 5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.557 7.387 6.581 1.00 0.00 H new ATOM 0 HG LEU A 3 3.591 8.091 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.887 8.754 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.680 9.911 3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.654 8.715 3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.775 6.323 3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.539 6.283 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.458 5.764 5.030 1.00 0.00 H new ATOM 54 N SER A 4 4.133 9.339 8.095 1.00 0.00 N ATOM 55 CA SER A 4 2.846 9.622 8.789 1.00 0.00 C ATOM 56 C SER A 4 2.765 11.108 9.145 1.00 0.00 C ATOM 57 O SER A 4 1.702 11.698 9.153 1.00 0.00 O ATOM 58 CB SER A 4 2.750 8.780 10.062 1.00 0.00 C ATOM 59 OG SER A 4 1.738 9.318 10.903 1.00 0.00 O ATOM 0 H SER A 4 4.771 8.725 8.602 1.00 0.00 H new ATOM 0 HA SER A 4 2.019 9.367 8.127 1.00 0.00 H new ATOM 0 HB2 SER A 4 2.519 7.745 9.811 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.708 8.775 10.582 1.00 0.00 H new ATOM 0 HG SER A 4 1.672 8.781 11.720 1.00 0.00 H new ATOM 65 N ASN A 5 3.875 11.716 9.459 1.00 0.00 N ATOM 66 CA ASN A 5 3.854 13.158 9.833 1.00 0.00 C ATOM 67 C ASN A 5 3.284 13.979 8.673 1.00 0.00 C ATOM 68 O ASN A 5 2.420 14.816 8.855 1.00 0.00 O ATOM 69 CB ASN A 5 5.287 13.613 10.120 1.00 0.00 C ATOM 70 CG ASN A 5 5.287 15.080 10.554 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.839 15.992 9.736 1.00 0.00 O flip ATOM 72 ND2 ASN A 5 5.700 15.399 11.651 1.00 0.00 N flip ATOM 0 H ASN A 5 4.796 11.277 9.473 1.00 0.00 H new ATOM 0 HA ASN A 5 3.232 13.303 10.716 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.726 12.993 10.902 1.00 0.00 H new ATOM 0 HB3 ASN A 5 5.904 13.487 9.230 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.050 14.686 12.291 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.696 16.380 11.932 1.00 0.00 H new ATOM 79 N GLU A 6 3.744 13.736 7.478 1.00 0.00 N ATOM 80 CA GLU A 6 3.208 14.498 6.316 1.00 0.00 C ATOM 81 C GLU A 6 1.775 14.044 6.043 1.00 0.00 C ATOM 82 O GLU A 6 0.943 14.806 5.591 1.00 0.00 O ATOM 83 CB GLU A 6 4.073 14.247 5.080 1.00 0.00 C ATOM 84 CG GLU A 6 5.474 14.807 5.319 1.00 0.00 C ATOM 85 CD GLU A 6 6.278 14.732 4.021 1.00 0.00 C ATOM 86 OE1 GLU A 6 5.961 15.479 3.109 1.00 0.00 O ATOM 87 OE2 GLU A 6 7.193 13.927 3.956 1.00 0.00 O ATOM 0 H GLU A 6 4.463 13.048 7.256 1.00 0.00 H new ATOM 0 HA GLU A 6 3.222 15.564 6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.127 13.179 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.624 14.720 4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.411 15.840 5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.975 14.240 6.104 1.00 0.00 H new ATOM 94 N LEU A 7 1.484 12.801 6.314 1.00 0.00 N ATOM 95 CA LEU A 7 0.108 12.283 6.075 1.00 0.00 C ATOM 96 C LEU A 7 -0.877 13.069 6.949 1.00 0.00 C ATOM 97 O LEU A 7 -1.937 13.473 6.506 1.00 0.00 O ATOM 98 CB LEU A 7 0.067 10.797 6.455 1.00 0.00 C ATOM 99 CG LEU A 7 -1.123 10.110 5.774 1.00 0.00 C ATOM 100 CD1 LEU A 7 -0.899 10.027 4.246 1.00 0.00 C ATOM 101 CD2 LEU A 7 -1.283 8.699 6.359 1.00 0.00 C ATOM 0 H LEU A 7 2.143 12.120 6.692 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.165 12.399 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.996 10.312 6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.014 10.693 7.537 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.027 10.691 5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.753 9.537 3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.791 11.032 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.005 9.453 4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.127 8.201 5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.374 8.125 6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.462 8.768 7.432 1.00 0.00 H new ATOM 113 N LYS A 8 -0.522 13.300 8.185 1.00 0.00 N ATOM 114 CA LYS A 8 -1.416 14.070 9.096 1.00 0.00 C ATOM 115 C LYS A 8 -1.584 15.480 8.537 1.00 0.00 C ATOM 116 O LYS A 8 -2.656 16.051 8.567 1.00 0.00 O ATOM 117 CB LYS A 8 -0.785 14.138 10.493 1.00 0.00 C ATOM 118 CG LYS A 8 -0.750 12.732 11.123 1.00 0.00 C ATOM 119 CD LYS A 8 -2.082 12.429 11.840 1.00 0.00 C ATOM 120 CE LYS A 8 -2.021 12.927 13.287 1.00 0.00 C ATOM 121 NZ LYS A 8 -0.969 12.172 14.024 1.00 0.00 N ATOM 0 H LYS A 8 0.353 12.986 8.604 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.388 13.583 9.168 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.226 14.541 10.426 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.357 14.816 11.127 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.568 11.985 10.350 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.075 12.665 11.832 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.906 12.912 11.315 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.278 11.357 11.823 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.800 13.994 13.307 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.988 12.792 13.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.384 11.739 14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.581 11.428 13.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.207 12.822 14.304 1.00 0.00 H new ATOM 135 N VAL A 9 -0.527 16.041 8.020 1.00 0.00 N ATOM 136 CA VAL A 9 -0.620 17.410 7.449 1.00 0.00 C ATOM 137 C VAL A 9 -1.636 17.409 6.305 1.00 0.00 C ATOM 138 O VAL A 9 -2.453 18.299 6.189 1.00 0.00 O ATOM 139 CB VAL A 9 0.752 17.840 6.926 1.00 0.00 C ATOM 140 CG1 VAL A 9 0.625 19.194 6.223 1.00 0.00 C ATOM 141 CG2 VAL A 9 1.725 17.964 8.102 1.00 0.00 C ATOM 0 H VAL A 9 0.396 15.610 7.969 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.943 18.110 8.220 1.00 0.00 H new ATOM 0 HB VAL A 9 1.125 17.098 6.220 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.601 19.503 5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.072 19.107 5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.255 19.937 6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.704 18.270 7.733 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.353 18.709 8.805 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.812 17.001 8.605 1.00 0.00 H new ATOM 151 N GLU A 10 -1.599 16.414 5.457 1.00 0.00 N ATOM 152 CA GLU A 10 -2.569 16.362 4.327 1.00 0.00 C ATOM 153 C GLU A 10 -3.997 16.456 4.880 1.00 0.00 C ATOM 154 O GLU A 10 -4.791 17.263 4.438 1.00 0.00 O ATOM 155 CB GLU A 10 -2.369 15.037 3.566 1.00 0.00 C ATOM 156 CG GLU A 10 -3.601 14.707 2.705 1.00 0.00 C ATOM 157 CD GLU A 10 -4.667 14.012 3.560 1.00 0.00 C ATOM 158 OE1 GLU A 10 -4.302 13.154 4.344 1.00 0.00 O ATOM 159 OE2 GLU A 10 -5.829 14.355 3.415 1.00 0.00 O ATOM 0 H GLU A 10 -0.939 15.637 5.499 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.405 17.196 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.485 15.107 2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.189 14.229 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.009 15.621 2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.312 14.063 1.874 1.00 0.00 H new ATOM 166 N ARG A 11 -4.330 15.646 5.848 1.00 0.00 N ATOM 167 CA ARG A 11 -5.704 15.708 6.424 1.00 0.00 C ATOM 168 C ARG A 11 -5.928 17.095 7.034 1.00 0.00 C ATOM 169 O ARG A 11 -6.977 17.685 6.882 1.00 0.00 O ATOM 170 CB ARG A 11 -5.870 14.599 7.481 1.00 0.00 C ATOM 171 CG ARG A 11 -7.029 14.928 8.452 1.00 0.00 C ATOM 172 CD ARG A 11 -7.682 13.631 8.945 1.00 0.00 C ATOM 173 NE ARG A 11 -6.645 12.575 9.108 1.00 0.00 N ATOM 174 CZ ARG A 11 -6.989 11.402 9.564 1.00 0.00 C ATOM 175 NH1 ARG A 11 -8.229 11.176 9.896 1.00 0.00 N ATOM 176 NH2 ARG A 11 -6.096 10.456 9.685 1.00 0.00 N ATOM 0 H ARG A 11 -3.714 14.947 6.263 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.449 15.547 5.645 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.064 13.647 6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.942 14.484 8.042 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.653 15.501 9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.770 15.550 7.950 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.188 13.806 9.894 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.441 13.302 8.235 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.673 12.767 8.865 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.926 11.915 9.799 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.503 10.261 10.253 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.126 10.633 9.423 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.368 9.540 10.042 1.00 0.00 H new ATOM 190 N ILE A 12 -4.955 17.625 7.716 1.00 0.00 N ATOM 191 CA ILE A 12 -5.123 18.975 8.319 1.00 0.00 C ATOM 192 C ILE A 12 -5.317 20.013 7.204 1.00 0.00 C ATOM 193 O ILE A 12 -6.174 20.872 7.287 1.00 0.00 O ATOM 194 CB ILE A 12 -3.870 19.314 9.127 1.00 0.00 C ATOM 195 CG1 ILE A 12 -3.789 18.383 10.343 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.944 20.768 9.603 1.00 0.00 C ATOM 197 CD1 ILE A 12 -2.384 18.439 10.956 1.00 0.00 C ATOM 0 H ILE A 12 -4.051 17.183 7.883 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.996 18.985 8.972 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.986 19.183 8.503 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.530 18.677 11.086 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.024 17.361 10.045 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.050 21.008 10.179 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.009 21.431 8.740 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.826 20.901 10.230 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.337 17.775 11.819 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.651 18.123 10.214 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.165 19.459 11.271 1.00 0.00 H new ATOM 209 N ARG A 13 -4.535 19.936 6.159 1.00 0.00 N ATOM 210 CA ARG A 13 -4.679 20.913 5.039 1.00 0.00 C ATOM 211 C ARG A 13 -6.074 20.789 4.425 1.00 0.00 C ATOM 212 O ARG A 13 -6.735 21.773 4.154 1.00 0.00 O ATOM 213 CB ARG A 13 -3.622 20.615 3.966 1.00 0.00 C ATOM 214 CG ARG A 13 -3.760 21.600 2.796 1.00 0.00 C ATOM 215 CD ARG A 13 -2.731 21.262 1.718 1.00 0.00 C ATOM 216 NE ARG A 13 -1.371 21.652 2.179 1.00 0.00 N ATOM 217 CZ ARG A 13 -0.334 21.392 1.431 1.00 0.00 C ATOM 218 NH1 ARG A 13 -0.488 20.735 0.313 1.00 0.00 N ATOM 219 NH2 ARG A 13 0.854 21.782 1.800 1.00 0.00 N ATOM 0 H ARG A 13 -3.802 19.238 6.033 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.540 21.925 5.420 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.624 20.690 4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.738 19.593 3.606 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.767 21.549 2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.612 22.621 3.147 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.758 20.195 1.498 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.975 21.784 0.793 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.250 22.121 3.077 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.417 20.427 0.027 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.321 20.530 -0.274 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.974 22.292 2.675 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.663 21.577 1.213 1.00 0.00 H new ATOM 233 N LEU A 14 -6.528 19.590 4.198 1.00 0.00 N ATOM 234 CA LEU A 14 -7.879 19.403 3.597 1.00 0.00 C ATOM 235 C LEU A 14 -8.909 19.254 4.717 1.00 0.00 C ATOM 236 O LEU A 14 -10.088 19.097 4.466 1.00 0.00 O ATOM 237 CB LEU A 14 -7.872 18.139 2.732 1.00 0.00 C ATOM 238 CG LEU A 14 -6.787 18.258 1.653 1.00 0.00 C ATOM 239 CD1 LEU A 14 -6.736 16.962 0.840 1.00 0.00 C ATOM 240 CD2 LEU A 14 -7.098 19.442 0.719 1.00 0.00 C ATOM 0 H LEU A 14 -6.022 18.728 4.403 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.135 20.264 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.687 17.263 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.848 17.999 2.267 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.823 18.429 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.966 17.044 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.503 16.127 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.703 16.791 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.322 19.518 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.064 19.283 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.128 20.365 1.299 1.00 0.00 H new ATOM 252 N SER A 15 -8.467 19.299 5.953 1.00 0.00 N ATOM 253 CA SER A 15 -9.409 19.151 7.111 1.00 0.00 C ATOM 254 C SER A 15 -10.436 18.059 6.793 1.00 0.00 C ATOM 255 O SER A 15 -11.626 18.239 6.967 1.00 0.00 O ATOM 256 CB SER A 15 -10.130 20.479 7.359 1.00 0.00 C ATOM 257 OG SER A 15 -10.510 21.048 6.114 1.00 0.00 O ATOM 0 H SER A 15 -7.489 19.433 6.211 1.00 0.00 H new ATOM 0 HA SER A 15 -8.849 18.874 8.004 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.010 20.317 7.981 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.478 21.164 7.901 1.00 0.00 H new ATOM 0 HG SER A 15 -11.000 20.383 5.586 1.00 0.00 H new ATOM 263 N LEU A 16 -9.982 16.939 6.303 1.00 0.00 N ATOM 264 CA LEU A 16 -10.921 15.843 5.941 1.00 0.00 C ATOM 265 C LEU A 16 -11.334 15.070 7.197 1.00 0.00 C ATOM 266 O LEU A 16 -10.647 15.084 8.201 1.00 0.00 O ATOM 267 CB LEU A 16 -10.228 14.903 4.951 1.00 0.00 C ATOM 268 CG LEU A 16 -11.264 14.016 4.251 1.00 0.00 C ATOM 269 CD1 LEU A 16 -12.172 14.860 3.327 1.00 0.00 C ATOM 270 CD2 LEU A 16 -10.523 12.962 3.424 1.00 0.00 C ATOM 0 H LEU A 16 -8.996 16.736 6.137 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.816 16.263 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.677 15.484 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.501 14.282 5.475 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.894 13.536 5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.900 14.211 2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.695 15.612 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.563 15.353 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.246 12.322 2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.896 13.456 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.899 12.356 4.081 1.00 0.00 H new ATOM 282 N THR A 17 -12.464 14.405 7.150 1.00 0.00 N ATOM 283 CA THR A 17 -12.949 13.638 8.339 1.00 0.00 C ATOM 284 C THR A 17 -12.673 12.144 8.157 1.00 0.00 C ATOM 285 O THR A 17 -12.872 11.583 7.096 1.00 0.00 O ATOM 286 CB THR A 17 -14.454 13.855 8.487 1.00 0.00 C ATOM 287 OG1 THR A 17 -15.086 13.611 7.238 1.00 0.00 O ATOM 288 CG2 THR A 17 -14.722 15.295 8.926 1.00 0.00 C ATOM 0 H THR A 17 -13.074 14.361 6.334 1.00 0.00 H new ATOM 0 HA THR A 17 -12.426 13.988 9.229 1.00 0.00 H new ATOM 0 HB THR A 17 -14.852 13.171 9.237 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.493 13.075 6.671 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.796 15.449 9.031 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.233 15.481 9.882 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.328 15.983 8.178 1.00 0.00 H new ATOM 296 N ALA A 18 -12.219 11.499 9.197 1.00 0.00 N ATOM 297 CA ALA A 18 -11.927 10.040 9.114 1.00 0.00 C ATOM 298 C ALA A 18 -13.222 9.266 8.860 1.00 0.00 C ATOM 299 O ALA A 18 -13.242 8.287 8.139 1.00 0.00 O ATOM 300 CB ALA A 18 -11.316 9.574 10.439 1.00 0.00 C ATOM 0 H ALA A 18 -12.037 11.923 10.106 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.230 9.857 8.296 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.100 8.507 10.385 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.393 10.122 10.627 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.020 9.761 11.250 1.00 0.00 H new ATOM 306 N LYS A 19 -14.299 9.692 9.455 1.00 0.00 N ATOM 307 CA LYS A 19 -15.594 8.979 9.264 1.00 0.00 C ATOM 308 C LYS A 19 -15.993 9.020 7.788 1.00 0.00 C ATOM 309 O LYS A 19 -16.434 8.036 7.224 1.00 0.00 O ATOM 310 CB LYS A 19 -16.674 9.665 10.103 1.00 0.00 C ATOM 311 CG LYS A 19 -17.975 8.869 10.014 1.00 0.00 C ATOM 312 CD LYS A 19 -19.034 9.529 10.899 1.00 0.00 C ATOM 313 CE LYS A 19 -20.334 8.727 10.827 1.00 0.00 C ATOM 314 NZ LYS A 19 -21.357 9.357 11.707 1.00 0.00 N ATOM 0 H LYS A 19 -14.340 10.506 10.068 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.487 7.941 9.578 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -16.351 9.738 11.141 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -16.834 10.683 9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.321 8.830 8.981 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.808 7.840 10.333 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.682 9.579 11.929 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.208 10.554 10.572 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.695 8.692 9.799 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -20.156 7.698 11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.241 8.811 11.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.011 9.369 12.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.534 10.332 11.391 1.00 0.00 H new ATOM 328 N SER A 20 -15.850 10.150 7.158 1.00 0.00 N ATOM 329 CA SER A 20 -16.227 10.256 5.722 1.00 0.00 C ATOM 330 C SER A 20 -15.387 9.281 4.889 1.00 0.00 C ATOM 331 O SER A 20 -15.893 8.575 4.040 1.00 0.00 O ATOM 332 CB SER A 20 -15.961 11.683 5.240 1.00 0.00 C ATOM 333 OG SER A 20 -14.584 11.989 5.419 1.00 0.00 O ATOM 0 H SER A 20 -15.488 11.007 7.576 1.00 0.00 H new ATOM 0 HA SER A 20 -17.283 10.012 5.607 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.234 11.781 4.189 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.578 12.388 5.797 1.00 0.00 H new ATOM 0 HG SER A 20 -14.219 11.441 6.145 1.00 0.00 H new ATOM 339 N VAL A 21 -14.107 9.237 5.132 1.00 0.00 N ATOM 340 CA VAL A 21 -13.228 8.313 4.358 1.00 0.00 C ATOM 341 C VAL A 21 -13.576 6.857 4.681 1.00 0.00 C ATOM 342 O VAL A 21 -13.648 6.016 3.808 1.00 0.00 O ATOM 343 CB VAL A 21 -11.765 8.579 4.726 1.00 0.00 C ATOM 344 CG1 VAL A 21 -10.867 7.526 4.072 1.00 0.00 C ATOM 345 CG2 VAL A 21 -11.368 9.965 4.222 1.00 0.00 C ATOM 0 H VAL A 21 -13.629 9.802 5.834 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.380 8.486 3.293 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.647 8.529 5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.827 7.719 4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.153 6.535 4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.980 7.573 2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.327 10.162 4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.487 10.006 3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -12.006 10.717 4.686 1.00 0.00 H new ATOM 355 N ALA A 22 -13.773 6.553 5.931 1.00 0.00 N ATOM 356 CA ALA A 22 -14.092 5.150 6.318 1.00 0.00 C ATOM 357 C ALA A 22 -15.324 4.649 5.556 1.00 0.00 C ATOM 358 O ALA A 22 -15.317 3.577 4.984 1.00 0.00 O ATOM 359 CB ALA A 22 -14.370 5.095 7.822 1.00 0.00 C ATOM 0 H ALA A 22 -13.727 7.216 6.705 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.243 4.513 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.604 4.071 8.111 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.489 5.434 8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -15.215 5.741 8.060 1.00 0.00 H new ATOM 365 N GLU A 23 -16.385 5.406 5.552 1.00 0.00 N ATOM 366 CA GLU A 23 -17.620 4.961 4.839 1.00 0.00 C ATOM 367 C GLU A 23 -17.403 4.973 3.317 1.00 0.00 C ATOM 368 O GLU A 23 -17.757 4.038 2.622 1.00 0.00 O ATOM 369 CB GLU A 23 -18.767 5.915 5.185 1.00 0.00 C ATOM 370 CG GLU A 23 -20.104 5.334 4.692 1.00 0.00 C ATOM 371 CD GLU A 23 -20.637 4.320 5.708 1.00 0.00 C ATOM 372 OE1 GLU A 23 -20.973 4.732 6.807 1.00 0.00 O ATOM 373 OE2 GLU A 23 -20.699 3.148 5.371 1.00 0.00 O ATOM 0 H GLU A 23 -16.453 6.314 6.011 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.860 3.945 5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -18.806 6.074 6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.593 6.888 4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -20.829 6.136 4.550 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.967 4.854 3.723 1.00 0.00 H new ATOM 380 N GLU A 24 -16.837 6.028 2.794 1.00 0.00 N ATOM 381 CA GLU A 24 -16.611 6.114 1.317 1.00 0.00 C ATOM 382 C GLU A 24 -15.703 4.966 0.866 1.00 0.00 C ATOM 383 O GLU A 24 -15.995 4.263 -0.083 1.00 0.00 O ATOM 384 CB GLU A 24 -15.982 7.493 1.005 1.00 0.00 C ATOM 385 CG GLU A 24 -15.059 7.456 -0.232 1.00 0.00 C ATOM 386 CD GLU A 24 -15.792 6.882 -1.448 1.00 0.00 C ATOM 387 OE1 GLU A 24 -16.982 6.647 -1.352 1.00 0.00 O ATOM 388 OE2 GLU A 24 -15.142 6.689 -2.464 1.00 0.00 O ATOM 0 H GLU A 24 -16.519 6.838 3.326 1.00 0.00 H new ATOM 0 HA GLU A 24 -17.551 6.021 0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -16.776 8.222 0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.412 7.833 1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.707 8.463 -0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.179 6.851 -0.015 1.00 0.00 H new ATOM 395 N MET A 25 -14.615 4.762 1.540 1.00 0.00 N ATOM 396 CA MET A 25 -13.702 3.658 1.153 1.00 0.00 C ATOM 397 C MET A 25 -14.416 2.312 1.302 1.00 0.00 C ATOM 398 O MET A 25 -14.238 1.419 0.496 1.00 0.00 O ATOM 399 CB MET A 25 -12.475 3.689 2.060 1.00 0.00 C ATOM 400 CG MET A 25 -11.538 4.812 1.613 1.00 0.00 C ATOM 401 SD MET A 25 -10.104 4.871 2.714 1.00 0.00 S ATOM 402 CE MET A 25 -9.143 3.567 1.905 1.00 0.00 C ATOM 0 H MET A 25 -14.316 5.312 2.345 1.00 0.00 H new ATOM 0 HA MET A 25 -13.399 3.783 0.114 1.00 0.00 H new ATOM 0 HB2 MET A 25 -12.779 3.845 3.095 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.956 2.731 2.021 1.00 0.00 H new ATOM 0 HG2 MET A 25 -11.215 4.644 0.586 1.00 0.00 H new ATOM 0 HG3 MET A 25 -12.063 5.767 1.630 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.156 3.505 2.363 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.657 2.612 2.019 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.037 3.798 0.845 1.00 0.00 H new ATOM 412 N GLY A 26 -15.216 2.153 2.328 1.00 0.00 N ATOM 413 CA GLY A 26 -15.937 0.856 2.539 1.00 0.00 C ATOM 414 C GLY A 26 -15.319 0.129 3.734 1.00 0.00 C ATOM 415 O GLY A 26 -15.483 -1.066 3.901 1.00 0.00 O ATOM 0 H GLY A 26 -15.402 2.868 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.997 1.039 2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.867 0.237 1.645 1.00 0.00 H new ATOM 419 N ILE A 27 -14.609 0.851 4.568 1.00 0.00 N ATOM 420 CA ILE A 27 -13.962 0.233 5.770 1.00 0.00 C ATOM 421 C ILE A 27 -14.429 0.963 7.032 1.00 0.00 C ATOM 422 O ILE A 27 -14.960 2.055 6.975 1.00 0.00 O ATOM 423 CB ILE A 27 -12.435 0.329 5.649 1.00 0.00 C ATOM 424 CG1 ILE A 27 -12.004 1.794 5.527 1.00 0.00 C ATOM 425 CG2 ILE A 27 -11.970 -0.439 4.411 1.00 0.00 C ATOM 426 CD1 ILE A 27 -10.476 1.874 5.529 1.00 0.00 C ATOM 0 H ILE A 27 -14.448 1.853 4.466 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.247 -0.817 5.833 1.00 0.00 H new ATOM 0 HB ILE A 27 -11.984 -0.103 6.542 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.401 2.226 4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -12.411 2.375 6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.885 -0.370 4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -12.261 -1.486 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.432 -0.010 3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.166 2.915 5.442 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.091 1.457 6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.081 1.307 4.686 1.00 0.00 H new ATOM 438 N SER A 28 -14.241 0.354 8.169 1.00 0.00 N ATOM 439 CA SER A 28 -14.676 0.985 9.446 1.00 0.00 C ATOM 440 C SER A 28 -13.660 2.037 9.895 1.00 0.00 C ATOM 441 O SER A 28 -12.540 2.084 9.424 1.00 0.00 O ATOM 442 CB SER A 28 -14.777 -0.095 10.521 1.00 0.00 C ATOM 443 OG SER A 28 -13.483 -0.337 11.058 1.00 0.00 O ATOM 0 H SER A 28 -13.801 -0.561 8.269 1.00 0.00 H new ATOM 0 HA SER A 28 -15.642 1.466 9.294 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.459 0.222 11.310 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.186 -1.012 10.096 1.00 0.00 H new ATOM 0 HG SER A 28 -13.540 -1.028 11.750 1.00 0.00 H new ATOM 449 N ARG A 29 -14.047 2.865 10.825 1.00 0.00 N ATOM 450 CA ARG A 29 -13.122 3.911 11.343 1.00 0.00 C ATOM 451 C ARG A 29 -11.926 3.235 12.015 1.00 0.00 C ATOM 452 O ARG A 29 -10.810 3.713 11.950 1.00 0.00 O ATOM 453 CB ARG A 29 -13.866 4.786 12.358 1.00 0.00 C ATOM 454 CG ARG A 29 -14.853 5.690 11.617 1.00 0.00 C ATOM 455 CD ARG A 29 -15.740 6.423 12.624 1.00 0.00 C ATOM 456 NE ARG A 29 -14.898 7.242 13.540 1.00 0.00 N ATOM 457 CZ ARG A 29 -15.449 7.852 14.553 1.00 0.00 C ATOM 458 NH1 ARG A 29 -16.737 7.764 14.742 1.00 0.00 N ATOM 459 NH2 ARG A 29 -14.715 8.550 15.374 1.00 0.00 N ATOM 0 H ARG A 29 -14.973 2.861 11.252 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.769 4.535 10.522 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -14.396 4.160 13.076 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -13.157 5.389 12.924 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -14.311 6.410 11.004 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -15.468 5.096 10.942 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -16.449 7.063 12.099 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.324 5.704 13.198 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.895 7.326 13.376 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -17.311 7.219 14.098 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.170 8.240 15.533 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.708 8.620 15.225 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.147 9.026 16.166 1.00 0.00 H new ATOM 473 N GLN A 30 -12.153 2.126 12.662 1.00 0.00 N ATOM 474 CA GLN A 30 -11.036 1.410 13.341 1.00 0.00 C ATOM 475 C GLN A 30 -9.984 1.004 12.303 1.00 0.00 C ATOM 476 O GLN A 30 -8.796 1.133 12.525 1.00 0.00 O ATOM 477 CB GLN A 30 -11.592 0.156 14.029 1.00 0.00 C ATOM 478 CG GLN A 30 -10.487 -0.543 14.827 1.00 0.00 C ATOM 479 CD GLN A 30 -10.033 0.359 15.975 1.00 0.00 C ATOM 480 OE1 GLN A 30 -10.843 1.003 16.613 1.00 0.00 O ATOM 481 NE2 GLN A 30 -8.764 0.437 16.264 1.00 0.00 N ATOM 0 H GLN A 30 -13.067 1.683 12.750 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.575 2.062 14.083 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -12.412 0.430 14.693 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.999 -0.527 13.283 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.853 -1.492 15.220 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.643 -0.772 14.176 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.085 -0.104 15.728 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.450 1.039 17.026 1.00 0.00 H new ATOM 490 N GLN A 31 -10.411 0.521 11.168 1.00 0.00 N ATOM 491 CA GLN A 31 -9.434 0.115 10.118 1.00 0.00 C ATOM 492 C GLN A 31 -8.673 1.345 9.623 1.00 0.00 C ATOM 493 O GLN A 31 -7.474 1.313 9.433 1.00 0.00 O ATOM 494 CB GLN A 31 -10.185 -0.523 8.948 1.00 0.00 C ATOM 495 CG GLN A 31 -10.777 -1.862 9.391 1.00 0.00 C ATOM 496 CD GLN A 31 -11.612 -2.451 8.254 1.00 0.00 C ATOM 497 OE1 GLN A 31 -12.636 -1.906 7.893 1.00 0.00 O ATOM 498 NE2 GLN A 31 -11.212 -3.543 7.665 1.00 0.00 N ATOM 0 H GLN A 31 -11.392 0.390 10.923 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.728 -0.603 10.536 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.978 0.142 8.605 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.509 -0.673 8.106 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.979 -2.552 9.665 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.396 -1.723 10.277 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.352 -4.000 7.968 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.759 -3.940 6.901 1.00 0.00 H new ATOM 507 N LEU A 32 -9.360 2.433 9.422 1.00 0.00 N ATOM 508 CA LEU A 32 -8.676 3.667 8.950 1.00 0.00 C ATOM 509 C LEU A 32 -7.678 4.128 10.013 1.00 0.00 C ATOM 510 O LEU A 32 -6.574 4.539 9.713 1.00 0.00 O ATOM 511 CB LEU A 32 -9.721 4.758 8.700 1.00 0.00 C ATOM 512 CG LEU A 32 -9.044 6.075 8.295 1.00 0.00 C ATOM 513 CD1 LEU A 32 -8.141 5.857 7.072 1.00 0.00 C ATOM 514 CD2 LEU A 32 -10.130 7.099 7.951 1.00 0.00 C ATOM 0 H LEU A 32 -10.366 2.521 9.564 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.141 3.465 8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.406 4.439 7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.317 4.911 9.600 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.431 6.436 9.121 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.668 6.799 6.796 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.373 5.122 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.741 5.494 6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.664 8.041 7.661 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.735 6.724 7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.765 7.262 8.822 1.00 0.00 H new ATOM 526 N CYS A 33 -8.058 4.057 11.260 1.00 0.00 N ATOM 527 CA CYS A 33 -7.137 4.483 12.350 1.00 0.00 C ATOM 528 C CYS A 33 -5.872 3.624 12.314 1.00 0.00 C ATOM 529 O CYS A 33 -4.789 4.080 12.629 1.00 0.00 O ATOM 530 CB CYS A 33 -7.832 4.309 13.702 1.00 0.00 C ATOM 531 SG CYS A 33 -9.258 5.417 13.787 1.00 0.00 S ATOM 0 H CYS A 33 -8.970 3.721 11.571 1.00 0.00 H new ATOM 0 HA CYS A 33 -6.869 5.530 12.210 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -8.152 3.275 13.829 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -7.137 4.529 14.512 1.00 0.00 H new ATOM 0 HG CYS A 33 -10.207 4.963 13.023 1.00 0.00 H new ATOM 537 N ASN A 34 -5.998 2.385 11.931 1.00 0.00 N ATOM 538 CA ASN A 34 -4.803 1.500 11.876 1.00 0.00 C ATOM 539 C ASN A 34 -3.796 2.090 10.884 1.00 0.00 C ATOM 540 O ASN A 34 -2.607 2.125 11.133 1.00 0.00 O ATOM 541 CB ASN A 34 -5.239 0.102 11.416 1.00 0.00 C ATOM 542 CG ASN A 34 -4.210 -0.942 11.855 1.00 0.00 C ATOM 543 OD1 ASN A 34 -3.095 -0.608 12.205 1.00 0.00 O ATOM 544 ND2 ASN A 34 -4.544 -2.203 11.849 1.00 0.00 N ATOM 0 H ASN A 34 -6.877 1.947 11.654 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.339 1.425 12.859 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.215 -0.139 11.836 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.346 0.085 10.331 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.869 -2.911 12.138 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.480 -2.481 11.555 1.00 0.00 H new ATOM 551 N ILE A 35 -4.267 2.567 9.766 1.00 0.00 N ATOM 552 CA ILE A 35 -3.340 3.169 8.767 1.00 0.00 C ATOM 553 C ILE A 35 -2.695 4.420 9.372 1.00 0.00 C ATOM 554 O ILE A 35 -1.503 4.632 9.261 1.00 0.00 O ATOM 555 CB ILE A 35 -4.118 3.551 7.509 1.00 0.00 C ATOM 556 CG1 ILE A 35 -4.868 2.323 6.988 1.00 0.00 C ATOM 557 CG2 ILE A 35 -3.141 4.045 6.439 1.00 0.00 C ATOM 558 CD1 ILE A 35 -5.805 2.738 5.854 1.00 0.00 C ATOM 0 H ILE A 35 -5.252 2.566 9.501 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.566 2.448 8.504 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.831 4.342 7.743 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.159 1.575 6.632 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.439 1.863 7.795 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.694 4.318 5.540 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.602 4.916 6.812 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.431 3.253 6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.338 1.862 5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.522 3.470 6.224 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.223 3.178 5.044 1.00 0.00 H new ATOM 570 N GLU A 36 -3.474 5.243 10.019 1.00 0.00 N ATOM 571 CA GLU A 36 -2.907 6.474 10.643 1.00 0.00 C ATOM 572 C GLU A 36 -1.830 6.064 11.648 1.00 0.00 C ATOM 573 O GLU A 36 -0.946 6.831 11.980 1.00 0.00 O ATOM 574 CB GLU A 36 -4.024 7.242 11.356 1.00 0.00 C ATOM 575 CG GLU A 36 -3.450 8.486 12.036 1.00 0.00 C ATOM 576 CD GLU A 36 -4.593 9.296 12.651 1.00 0.00 C ATOM 577 OE1 GLU A 36 -5.461 9.716 11.905 1.00 0.00 O ATOM 578 OE2 GLU A 36 -4.578 9.486 13.856 1.00 0.00 O ATOM 0 H GLU A 36 -4.479 5.117 10.143 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.468 7.116 9.879 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.793 7.531 10.640 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.503 6.601 12.096 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.737 8.197 12.808 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.907 9.093 11.312 1.00 0.00 H new ATOM 585 N GLN A 37 -1.894 4.852 12.123 1.00 0.00 N ATOM 586 CA GLN A 37 -0.875 4.363 13.097 1.00 0.00 C ATOM 587 C GLN A 37 0.274 3.706 12.325 1.00 0.00 C ATOM 588 O GLN A 37 1.082 2.988 12.883 1.00 0.00 O ATOM 589 CB GLN A 37 -1.521 3.340 14.031 1.00 0.00 C ATOM 590 CG GLN A 37 -2.520 4.048 14.948 1.00 0.00 C ATOM 591 CD GLN A 37 -3.238 3.016 15.818 1.00 0.00 C ATOM 592 OE1 GLN A 37 -2.941 1.840 15.756 1.00 0.00 O ATOM 593 NE2 GLN A 37 -4.176 3.410 16.634 1.00 0.00 N ATOM 0 H GLN A 37 -2.614 4.173 11.877 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.491 5.195 13.686 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.027 2.569 13.450 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.756 2.840 14.625 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.002 4.772 15.577 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.244 4.604 14.353 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.425 4.398 16.686 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.660 2.730 17.220 1.00 0.00 H new ATOM 602 N SER A 38 0.343 3.944 11.042 1.00 0.00 N ATOM 603 CA SER A 38 1.425 3.337 10.219 1.00 0.00 C ATOM 604 C SER A 38 2.790 3.790 10.740 1.00 0.00 C ATOM 605 O SER A 38 2.967 4.926 11.138 1.00 0.00 O ATOM 606 CB SER A 38 1.262 3.784 8.764 1.00 0.00 C ATOM 607 OG SER A 38 2.376 3.332 8.006 1.00 0.00 O ATOM 0 H SER A 38 -0.309 4.537 10.528 1.00 0.00 H new ATOM 0 HA SER A 38 1.361 2.251 10.281 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.338 3.381 8.349 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.188 4.870 8.711 1.00 0.00 H new ATOM 0 HG SER A 38 2.274 3.615 7.073 1.00 0.00 H new ATOM 613 N GLU A 39 3.757 2.903 10.741 1.00 0.00 N ATOM 614 CA GLU A 39 5.129 3.258 11.237 1.00 0.00 C ATOM 615 C GLU A 39 6.157 2.918 10.150 1.00 0.00 C ATOM 616 O GLU A 39 6.864 3.778 9.660 1.00 0.00 O ATOM 617 CB GLU A 39 5.425 2.446 12.504 1.00 0.00 C ATOM 618 CG GLU A 39 6.743 2.916 13.124 1.00 0.00 C ATOM 619 CD GLU A 39 6.550 4.308 13.728 1.00 0.00 C ATOM 620 OE1 GLU A 39 5.418 4.761 13.769 1.00 0.00 O ATOM 621 OE2 GLU A 39 7.536 4.897 14.140 1.00 0.00 O ATOM 0 H GLU A 39 3.655 1.941 10.417 1.00 0.00 H new ATOM 0 HA GLU A 39 5.184 4.322 11.466 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.613 2.564 13.221 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.484 1.385 12.262 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.067 2.215 13.893 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.526 2.941 12.366 1.00 0.00 H new ATOM 628 N THR A 40 6.234 1.665 9.768 1.00 0.00 N ATOM 629 CA THR A 40 7.194 1.232 8.701 1.00 0.00 C ATOM 630 C THR A 40 6.370 0.707 7.519 1.00 0.00 C ATOM 631 O THR A 40 5.488 -0.114 7.683 1.00 0.00 O ATOM 632 CB THR A 40 8.109 0.131 9.260 1.00 0.00 C ATOM 633 OG1 THR A 40 8.838 0.647 10.365 1.00 0.00 O ATOM 634 CG2 THR A 40 9.095 -0.334 8.185 1.00 0.00 C ATOM 0 H THR A 40 5.664 0.913 10.156 1.00 0.00 H new ATOM 0 HA THR A 40 7.821 2.061 8.373 1.00 0.00 H new ATOM 0 HB THR A 40 7.497 -0.714 9.574 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.422 -0.052 10.727 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.738 -1.114 8.594 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.543 -0.728 7.331 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.707 0.509 7.864 1.00 0.00 H new ATOM 642 N ALA A 41 6.617 1.208 6.331 1.00 0.00 N ATOM 643 CA ALA A 41 5.806 0.782 5.143 1.00 0.00 C ATOM 644 C ALA A 41 6.422 -0.452 4.448 1.00 0.00 C ATOM 645 O ALA A 41 7.618 -0.653 4.479 1.00 0.00 O ATOM 646 CB ALA A 41 5.759 1.944 4.143 1.00 0.00 C ATOM 0 H ALA A 41 7.345 1.894 6.132 1.00 0.00 H new ATOM 0 HA ALA A 41 4.806 0.515 5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.173 1.651 3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.299 2.812 4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.772 2.196 3.830 1.00 0.00 H new ATOM 652 N PRO A 42 5.596 -1.266 3.808 1.00 0.00 N ATOM 653 CA PRO A 42 6.062 -2.489 3.072 1.00 0.00 C ATOM 654 C PRO A 42 6.834 -2.153 1.782 1.00 0.00 C ATOM 655 O PRO A 42 6.601 -1.139 1.152 1.00 0.00 O ATOM 656 CB PRO A 42 4.753 -3.230 2.743 1.00 0.00 C ATOM 657 CG PRO A 42 3.711 -2.160 2.686 1.00 0.00 C ATOM 658 CD PRO A 42 4.128 -1.116 3.723 1.00 0.00 C ATOM 0 HA PRO A 42 6.762 -3.075 3.668 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.827 -3.761 1.794 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.516 -3.972 3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.655 -1.721 1.690 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.724 -2.563 2.912 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.847 -0.110 3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.651 -1.297 4.686 1.00 0.00 H new ATOM 666 N VAL A 43 7.734 -3.014 1.383 1.00 0.00 N ATOM 667 CA VAL A 43 8.519 -2.780 0.132 1.00 0.00 C ATOM 668 C VAL A 43 7.573 -2.766 -1.075 1.00 0.00 C ATOM 669 O VAL A 43 7.954 -2.416 -2.176 1.00 0.00 O ATOM 670 CB VAL A 43 9.553 -3.898 -0.036 1.00 0.00 C ATOM 671 CG1 VAL A 43 10.721 -3.667 0.927 1.00 0.00 C ATOM 672 CG2 VAL A 43 8.896 -5.248 0.276 1.00 0.00 C ATOM 0 H VAL A 43 7.961 -3.878 1.875 1.00 0.00 H new ATOM 0 HA VAL A 43 9.030 -1.820 0.198 1.00 0.00 H new ATOM 0 HB VAL A 43 9.924 -3.898 -1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.455 -4.463 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.188 -2.707 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.352 -3.666 1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.629 -6.046 0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.526 -5.244 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.064 -5.415 -0.409 1.00 0.00 H new ATOM 682 N VAL A 44 6.343 -3.151 -0.874 1.00 0.00 N ATOM 683 CA VAL A 44 5.364 -3.168 -2.000 1.00 0.00 C ATOM 684 C VAL A 44 5.228 -1.756 -2.574 1.00 0.00 C ATOM 685 O VAL A 44 5.205 -1.561 -3.774 1.00 0.00 O ATOM 686 CB VAL A 44 4.004 -3.641 -1.478 1.00 0.00 C ATOM 687 CG1 VAL A 44 2.956 -3.527 -2.587 1.00 0.00 C ATOM 688 CG2 VAL A 44 4.114 -5.100 -1.027 1.00 0.00 C ATOM 0 H VAL A 44 5.971 -3.456 0.025 1.00 0.00 H new ATOM 0 HA VAL A 44 5.711 -3.845 -2.780 1.00 0.00 H new ATOM 0 HB VAL A 44 3.704 -3.018 -0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.990 -3.865 -2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.877 -2.488 -2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.253 -4.147 -3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.147 -5.440 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.416 -5.720 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.857 -5.181 -0.234 1.00 0.00 H new ATOM 698 N VAL A 45 5.137 -0.771 -1.726 1.00 0.00 N ATOM 699 CA VAL A 45 5.004 0.630 -2.218 1.00 0.00 C ATOM 700 C VAL A 45 6.224 0.994 -3.068 1.00 0.00 C ATOM 701 O VAL A 45 6.103 1.565 -4.133 1.00 0.00 O ATOM 702 CB VAL A 45 4.924 1.578 -1.017 1.00 0.00 C ATOM 703 CG1 VAL A 45 4.939 3.030 -1.503 1.00 0.00 C ATOM 704 CG2 VAL A 45 3.629 1.310 -0.249 1.00 0.00 C ATOM 0 H VAL A 45 5.149 -0.875 -0.711 1.00 0.00 H new ATOM 0 HA VAL A 45 4.101 0.720 -2.823 1.00 0.00 H new ATOM 0 HB VAL A 45 5.780 1.410 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.882 3.701 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.861 3.220 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.085 3.204 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.568 1.982 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.775 1.479 -0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.620 0.277 0.100 1.00 0.00 H new ATOM 714 N LYS A 46 7.396 0.669 -2.603 1.00 0.00 N ATOM 715 CA LYS A 46 8.624 0.998 -3.378 1.00 0.00 C ATOM 716 C LYS A 46 8.603 0.260 -4.718 1.00 0.00 C ATOM 717 O LYS A 46 8.976 0.797 -5.743 1.00 0.00 O ATOM 718 CB LYS A 46 9.850 0.559 -2.585 1.00 0.00 C ATOM 719 CG LYS A 46 9.921 1.358 -1.287 1.00 0.00 C ATOM 720 CD LYS A 46 11.097 0.863 -0.448 1.00 0.00 C ATOM 721 CE LYS A 46 11.078 1.561 0.910 1.00 0.00 C ATOM 722 NZ LYS A 46 11.391 3.007 0.734 1.00 0.00 N ATOM 0 H LYS A 46 7.558 0.189 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 46 8.661 2.073 -3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.794 -0.507 -2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.754 0.717 -3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.038 2.419 -1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.991 1.249 -0.729 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.035 -0.217 -0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.036 1.067 -0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.100 1.445 1.376 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.806 1.100 1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.885 3.562 1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.415 3.156 0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.092 3.314 -0.214 1.00 0.00 H new ATOM 736 N TYR A 47 8.173 -0.973 -4.719 1.00 0.00 N ATOM 737 CA TYR A 47 8.132 -1.750 -5.989 1.00 0.00 C ATOM 738 C TYR A 47 7.233 -1.019 -6.989 1.00 0.00 C ATOM 739 O TYR A 47 7.528 -0.942 -8.165 1.00 0.00 O ATOM 740 CB TYR A 47 7.574 -3.148 -5.719 1.00 0.00 C ATOM 741 CG TYR A 47 7.747 -4.009 -6.949 1.00 0.00 C ATOM 742 CD1 TYR A 47 8.997 -4.568 -7.236 1.00 0.00 C ATOM 743 CD2 TYR A 47 6.661 -4.253 -7.799 1.00 0.00 C ATOM 744 CE1 TYR A 47 9.163 -5.370 -8.372 1.00 0.00 C ATOM 745 CE2 TYR A 47 6.828 -5.056 -8.934 1.00 0.00 C ATOM 746 CZ TYR A 47 8.078 -5.613 -9.220 1.00 0.00 C ATOM 747 OH TYR A 47 8.241 -6.406 -10.338 1.00 0.00 O ATOM 0 H TYR A 47 7.848 -1.476 -3.893 1.00 0.00 H new ATOM 0 HA TYR A 47 9.138 -1.843 -6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.090 -3.599 -4.871 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.519 -3.084 -5.453 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.835 -4.381 -6.581 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.695 -3.822 -7.579 1.00 0.00 H new ATOM 0 HE1 TYR A 47 10.128 -5.801 -8.593 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.990 -5.245 -9.589 1.00 0.00 H new ATOM 0 HH TYR A 47 7.389 -6.474 -10.818 1.00 0.00 H new ATOM 757 N ILE A 48 6.145 -0.471 -6.527 1.00 0.00 N ATOM 758 CA ILE A 48 5.237 0.265 -7.447 1.00 0.00 C ATOM 759 C ILE A 48 6.000 1.452 -8.033 1.00 0.00 C ATOM 760 O ILE A 48 5.928 1.730 -9.215 1.00 0.00 O ATOM 761 CB ILE A 48 4.020 0.771 -6.670 1.00 0.00 C ATOM 762 CG1 ILE A 48 3.170 -0.425 -6.233 1.00 0.00 C ATOM 763 CG2 ILE A 48 3.183 1.695 -7.561 1.00 0.00 C ATOM 764 CD1 ILE A 48 2.082 0.035 -5.259 1.00 0.00 C ATOM 0 H ILE A 48 5.846 -0.501 -5.552 1.00 0.00 H new ATOM 0 HA ILE A 48 4.899 -0.394 -8.246 1.00 0.00 H new ATOM 0 HB ILE A 48 4.354 1.326 -5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.715 -0.896 -7.104 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.801 -1.176 -5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.318 2.053 -7.003 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.789 2.545 -7.875 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.846 1.146 -8.440 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.482 -0.822 -4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.546 0.485 -4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.443 0.770 -5.748 1.00 0.00 H new ATOM 776 N ALA A 49 6.740 2.148 -7.216 1.00 0.00 N ATOM 777 CA ALA A 49 7.518 3.309 -7.727 1.00 0.00 C ATOM 778 C ALA A 49 8.498 2.822 -8.795 1.00 0.00 C ATOM 779 O ALA A 49 8.774 3.506 -9.761 1.00 0.00 O ATOM 780 CB ALA A 49 8.299 3.955 -6.581 1.00 0.00 C ATOM 0 H ALA A 49 6.839 1.963 -6.218 1.00 0.00 H new ATOM 0 HA ALA A 49 6.836 4.043 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.867 4.804 -6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.604 4.297 -5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.984 3.225 -6.150 1.00 0.00 H new ATOM 786 N PHE A 50 9.026 1.641 -8.629 1.00 0.00 N ATOM 787 CA PHE A 50 9.988 1.110 -9.633 1.00 0.00 C ATOM 788 C PHE A 50 9.288 1.020 -10.994 1.00 0.00 C ATOM 789 O PHE A 50 9.792 1.484 -11.997 1.00 0.00 O ATOM 790 CB PHE A 50 10.434 -0.290 -9.187 1.00 0.00 C ATOM 791 CG PHE A 50 11.703 -0.686 -9.902 1.00 0.00 C ATOM 792 CD1 PHE A 50 11.642 -1.218 -11.196 1.00 0.00 C ATOM 793 CD2 PHE A 50 12.941 -0.527 -9.267 1.00 0.00 C ATOM 794 CE1 PHE A 50 12.821 -1.593 -11.853 1.00 0.00 C ATOM 795 CE2 PHE A 50 14.118 -0.903 -9.925 1.00 0.00 C ATOM 796 CZ PHE A 50 14.058 -1.434 -11.218 1.00 0.00 C ATOM 0 H PHE A 50 8.833 1.022 -7.842 1.00 0.00 H new ATOM 0 HA PHE A 50 10.855 1.765 -9.715 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.597 -0.302 -8.109 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.648 -1.015 -9.399 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.688 -1.339 -11.687 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.988 -0.114 -8.270 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.775 -2.005 -12.850 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.073 -0.783 -9.434 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.967 -1.721 -11.726 1.00 0.00 H new ATOM 806 N LEU A 51 8.124 0.435 -11.026 1.00 0.00 N ATOM 807 CA LEU A 51 7.372 0.319 -12.307 1.00 0.00 C ATOM 808 C LEU A 51 6.821 1.691 -12.715 1.00 0.00 C ATOM 809 O LEU A 51 6.815 2.054 -13.875 1.00 0.00 O ATOM 810 CB LEU A 51 6.217 -0.663 -12.117 1.00 0.00 C ATOM 811 CG LEU A 51 6.771 -2.070 -11.851 1.00 0.00 C ATOM 812 CD1 LEU A 51 5.612 -3.008 -11.495 1.00 0.00 C ATOM 813 CD2 LEU A 51 7.511 -2.604 -13.096 1.00 0.00 C ATOM 0 H LEU A 51 7.658 0.029 -10.215 1.00 0.00 H new ATOM 0 HA LEU A 51 8.038 -0.041 -13.091 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.590 -0.345 -11.284 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.585 -0.673 -13.005 1.00 0.00 H new ATOM 0 HG LEU A 51 7.478 -2.024 -11.022 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.999 -4.009 -11.305 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.106 -2.639 -10.603 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.905 -3.044 -12.324 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.897 -3.602 -12.889 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.821 -2.649 -13.938 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.339 -1.938 -13.341 1.00 0.00 H new ATOM 825 N ARG A 52 6.349 2.450 -11.763 1.00 0.00 N ATOM 826 CA ARG A 52 5.784 3.796 -12.077 1.00 0.00 C ATOM 827 C ARG A 52 6.859 4.655 -12.743 1.00 0.00 C ATOM 828 O ARG A 52 6.603 5.372 -13.690 1.00 0.00 O ATOM 829 CB ARG A 52 5.336 4.469 -10.778 1.00 0.00 C ATOM 830 CG ARG A 52 4.460 5.681 -11.095 1.00 0.00 C ATOM 831 CD ARG A 52 4.056 6.362 -9.785 1.00 0.00 C ATOM 832 NE ARG A 52 3.052 7.430 -10.072 1.00 0.00 N ATOM 833 CZ ARG A 52 3.006 8.522 -9.348 1.00 0.00 C ATOM 834 NH1 ARG A 52 3.841 8.700 -8.358 1.00 0.00 N ATOM 835 NH2 ARG A 52 2.119 9.438 -9.617 1.00 0.00 N ATOM 0 H ARG A 52 6.330 2.195 -10.776 1.00 0.00 H new ATOM 0 HA ARG A 52 4.933 3.688 -12.750 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.782 3.760 -10.163 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.206 4.780 -10.200 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.002 6.381 -11.731 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.573 5.370 -11.647 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.637 5.629 -9.095 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.932 6.792 -9.300 1.00 0.00 H new ATOM 0 HE ARG A 52 2.394 7.308 -10.841 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.537 7.986 -8.143 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.797 9.553 -7.801 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.465 9.304 -10.388 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.079 10.289 -9.057 1.00 0.00 H new ATOM 849 N SER A 53 8.064 4.590 -12.248 1.00 0.00 N ATOM 850 CA SER A 53 9.163 5.402 -12.841 1.00 0.00 C ATOM 851 C SER A 53 9.325 5.038 -14.319 1.00 0.00 C ATOM 852 O SER A 53 9.841 5.808 -15.106 1.00 0.00 O ATOM 853 CB SER A 53 10.467 5.115 -12.097 1.00 0.00 C ATOM 854 OG SER A 53 10.409 5.710 -10.808 1.00 0.00 O ATOM 0 H SER A 53 8.335 4.008 -11.456 1.00 0.00 H new ATOM 0 HA SER A 53 8.922 6.461 -12.753 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.620 4.039 -12.008 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.314 5.512 -12.656 1.00 0.00 H new ATOM 0 HG SER A 53 9.894 5.134 -10.205 1.00 0.00 H new ATOM 860 N LYS A 54 8.879 3.873 -14.704 1.00 0.00 N ATOM 861 CA LYS A 54 8.996 3.456 -16.132 1.00 0.00 C ATOM 862 C LYS A 54 7.729 3.868 -16.885 1.00 0.00 C ATOM 863 O LYS A 54 7.574 3.594 -18.060 1.00 0.00 O ATOM 864 CB LYS A 54 9.168 1.938 -16.208 1.00 0.00 C ATOM 865 CG LYS A 54 10.546 1.559 -15.667 1.00 0.00 C ATOM 866 CD LYS A 54 10.708 0.040 -15.691 1.00 0.00 C ATOM 867 CE LYS A 54 12.065 -0.332 -15.099 1.00 0.00 C ATOM 868 NZ LYS A 54 13.150 0.172 -15.988 1.00 0.00 N ATOM 0 H LYS A 54 8.437 3.189 -14.089 1.00 0.00 H new ATOM 0 HA LYS A 54 9.862 3.940 -16.585 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.388 1.443 -15.629 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.063 1.600 -17.239 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.325 2.027 -16.269 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.663 1.931 -14.649 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.908 -0.432 -15.121 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.631 -0.329 -16.714 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.169 0.096 -14.102 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.142 -1.414 -14.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.037 -0.324 -15.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.893 -0.000 -16.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.278 1.193 -15.836 1.00 0.00 H new ATOM 882 N GLY A 55 6.830 4.540 -16.221 1.00 0.00 N ATOM 883 CA GLY A 55 5.578 4.989 -16.897 1.00 0.00 C ATOM 884 C GLY A 55 4.540 3.861 -16.908 1.00 0.00 C ATOM 885 O GLY A 55 3.619 3.866 -17.703 1.00 0.00 O ATOM 0 H GLY A 55 6.907 4.799 -15.237 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.172 5.860 -16.382 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.800 5.297 -17.919 1.00 0.00 H new ATOM 889 N VAL A 56 4.669 2.899 -16.035 1.00 0.00 N ATOM 890 CA VAL A 56 3.673 1.789 -16.008 1.00 0.00 C ATOM 891 C VAL A 56 2.336 2.331 -15.501 1.00 0.00 C ATOM 892 O VAL A 56 2.272 3.062 -14.531 1.00 0.00 O ATOM 893 CB VAL A 56 4.182 0.659 -15.102 1.00 0.00 C ATOM 894 CG1 VAL A 56 3.076 -0.379 -14.880 1.00 0.00 C ATOM 895 CG2 VAL A 56 5.379 -0.019 -15.780 1.00 0.00 C ATOM 0 H VAL A 56 5.416 2.833 -15.343 1.00 0.00 H new ATOM 0 HA VAL A 56 3.534 1.386 -17.011 1.00 0.00 H new ATOM 0 HB VAL A 56 4.478 1.075 -14.139 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.449 -1.176 -14.236 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.218 0.099 -14.407 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.774 -0.799 -15.839 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.749 -0.824 -15.145 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.069 -0.429 -16.741 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.171 0.713 -15.936 1.00 0.00 H new ATOM 905 N ASP A 57 1.270 2.004 -16.180 1.00 0.00 N ATOM 906 CA ASP A 57 -0.068 2.521 -15.781 1.00 0.00 C ATOM 907 C ASP A 57 -0.542 1.857 -14.490 1.00 0.00 C ATOM 908 O ASP A 57 -0.972 0.719 -14.480 1.00 0.00 O ATOM 909 CB ASP A 57 -1.070 2.228 -16.896 1.00 0.00 C ATOM 910 CG ASP A 57 -0.584 2.869 -18.196 1.00 0.00 C ATOM 911 OD1 ASP A 57 0.589 3.197 -18.266 1.00 0.00 O ATOM 912 OD2 ASP A 57 -1.389 3.010 -19.101 1.00 0.00 O ATOM 0 H ASP A 57 1.270 1.397 -16.999 1.00 0.00 H new ATOM 0 HA ASP A 57 0.007 3.595 -15.613 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.180 1.152 -17.027 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.052 2.619 -16.630 1.00 0.00 H new ATOM 917 N LEU A 58 -0.489 2.575 -13.400 1.00 0.00 N ATOM 918 CA LEU A 58 -0.959 2.016 -12.102 1.00 0.00 C ATOM 919 C LEU A 58 -2.442 2.347 -11.939 1.00 0.00 C ATOM 920 O LEU A 58 -3.144 1.758 -11.142 1.00 0.00 O ATOM 921 CB LEU A 58 -0.155 2.652 -10.960 1.00 0.00 C ATOM 922 CG LEU A 58 -0.537 4.152 -10.798 1.00 0.00 C ATOM 923 CD1 LEU A 58 -1.510 4.328 -9.621 1.00 0.00 C ATOM 924 CD2 LEU A 58 0.724 4.991 -10.538 1.00 0.00 C ATOM 0 H LEU A 58 -0.138 3.531 -13.354 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.818 0.935 -12.080 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.348 2.118 -10.029 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.912 2.562 -11.164 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.016 4.488 -11.718 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.770 5.382 -9.518 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.414 3.748 -9.806 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.037 3.979 -8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.447 6.039 -10.426 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.210 4.645 -9.626 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.411 4.885 -11.378 1.00 0.00 H new ATOM 936 N ASN A 59 -2.918 3.290 -12.706 1.00 0.00 N ATOM 937 CA ASN A 59 -4.351 3.680 -12.626 1.00 0.00 C ATOM 938 C ASN A 59 -5.220 2.489 -13.029 1.00 0.00 C ATOM 939 O ASN A 59 -6.240 2.214 -12.428 1.00 0.00 O ATOM 940 CB ASN A 59 -4.599 4.844 -13.588 1.00 0.00 C ATOM 941 CG ASN A 59 -3.895 4.559 -14.917 1.00 0.00 C ATOM 942 OD1 ASN A 59 -2.640 4.891 -15.058 1.00 0.00 O flip ATOM 943 ND2 ASN A 59 -4.487 4.021 -15.831 1.00 0.00 N flip ATOM 0 H ASN A 59 -2.369 3.810 -13.390 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.601 3.982 -11.609 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.669 4.975 -13.751 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.226 5.773 -13.157 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.467 3.762 -15.721 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.004 3.829 -16.708 1.00 0.00 H new ATOM 950 N ALA A 60 -4.819 1.777 -14.046 1.00 0.00 N ATOM 951 CA ALA A 60 -5.615 0.602 -14.492 1.00 0.00 C ATOM 952 C ALA A 60 -5.659 -0.446 -13.379 1.00 0.00 C ATOM 953 O ALA A 60 -6.704 -0.951 -13.039 1.00 0.00 O ATOM 954 CB ALA A 60 -4.967 -0.009 -15.735 1.00 0.00 C ATOM 0 H ALA A 60 -3.974 1.959 -14.587 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.630 0.924 -14.726 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.549 -0.870 -16.063 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.937 0.734 -16.532 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.952 -0.327 -15.497 1.00 0.00 H new ATOM 960 N LEU A 61 -4.528 -0.768 -12.809 1.00 0.00 N ATOM 961 CA LEU A 61 -4.495 -1.788 -11.716 1.00 0.00 C ATOM 962 C LEU A 61 -5.327 -1.294 -10.524 1.00 0.00 C ATOM 963 O LEU A 61 -6.042 -2.048 -9.891 1.00 0.00 O ATOM 964 CB LEU A 61 -3.037 -2.009 -11.273 1.00 0.00 C ATOM 965 CG LEU A 61 -2.339 -2.995 -12.219 1.00 0.00 C ATOM 966 CD1 LEU A 61 -2.345 -2.447 -13.647 1.00 0.00 C ATOM 967 CD2 LEU A 61 -0.891 -3.194 -11.765 1.00 0.00 C ATOM 0 H LEU A 61 -3.622 -0.368 -13.053 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.913 -2.727 -12.080 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.503 -1.059 -11.268 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.013 -2.393 -10.253 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.871 -3.946 -12.197 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.847 -3.154 -14.310 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.374 -2.302 -13.977 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.818 -1.493 -13.673 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.392 -3.894 -12.435 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.369 -2.238 -11.785 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.879 -3.592 -10.750 1.00 0.00 H new ATOM 979 N PHE A 62 -5.226 -0.039 -10.203 1.00 0.00 N ATOM 980 CA PHE A 62 -5.999 0.505 -9.051 1.00 0.00 C ATOM 981 C PHE A 62 -7.487 0.570 -9.410 1.00 0.00 C ATOM 982 O PHE A 62 -8.348 0.257 -8.612 1.00 0.00 O ATOM 983 CB PHE A 62 -5.482 1.914 -8.723 1.00 0.00 C ATOM 984 CG PHE A 62 -4.215 1.832 -7.887 1.00 0.00 C ATOM 985 CD1 PHE A 62 -3.155 0.992 -8.270 1.00 0.00 C ATOM 986 CD2 PHE A 62 -4.105 2.601 -6.722 1.00 0.00 C ATOM 987 CE1 PHE A 62 -1.995 0.930 -7.490 1.00 0.00 C ATOM 988 CE2 PHE A 62 -2.943 2.536 -5.945 1.00 0.00 C ATOM 989 CZ PHE A 62 -1.891 1.698 -6.328 1.00 0.00 C ATOM 0 H PHE A 62 -4.639 0.639 -10.689 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.872 -0.144 -8.184 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.282 2.459 -9.646 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.246 2.472 -8.183 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.236 0.395 -9.166 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.918 3.245 -6.423 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.179 0.288 -7.787 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.859 3.133 -5.049 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.997 1.645 -5.724 1.00 0.00 H new ATOM 999 N ASP A 63 -7.796 0.975 -10.607 1.00 0.00 N ATOM 1000 CA ASP A 63 -9.224 1.074 -11.012 1.00 0.00 C ATOM 1001 C ASP A 63 -9.918 -0.262 -10.723 1.00 0.00 C ATOM 1002 O ASP A 63 -11.039 -0.304 -10.255 1.00 0.00 O ATOM 1003 CB ASP A 63 -9.294 1.395 -12.515 1.00 0.00 C ATOM 1004 CG ASP A 63 -9.161 2.908 -12.726 1.00 0.00 C ATOM 1005 OD1 ASP A 63 -8.563 3.552 -11.878 1.00 0.00 O ATOM 1006 OD2 ASP A 63 -9.646 3.393 -13.735 1.00 0.00 O ATOM 0 H ASP A 63 -7.121 1.242 -11.324 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.724 1.864 -10.453 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.498 0.873 -13.046 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.239 1.042 -12.929 1.00 0.00 H new ATOM 1011 N ARG A 64 -9.261 -1.353 -10.995 1.00 0.00 N ATOM 1012 CA ARG A 64 -9.884 -2.686 -10.731 1.00 0.00 C ATOM 1013 C ARG A 64 -10.002 -2.880 -9.209 1.00 0.00 C ATOM 1014 O ARG A 64 -10.961 -3.439 -8.713 1.00 0.00 O ATOM 1015 CB ARG A 64 -9.022 -3.818 -11.357 1.00 0.00 C ATOM 1016 CG ARG A 64 -7.991 -3.214 -12.313 1.00 0.00 C ATOM 1017 CD ARG A 64 -7.376 -4.291 -13.214 1.00 0.00 C ATOM 1018 NE ARG A 64 -8.204 -4.427 -14.442 1.00 0.00 N ATOM 1019 CZ ARG A 64 -7.692 -4.963 -15.514 1.00 0.00 C ATOM 1020 NH1 ARG A 64 -6.463 -5.398 -15.499 1.00 0.00 N ATOM 1021 NH2 ARG A 64 -8.407 -5.059 -16.601 1.00 0.00 N ATOM 0 H ARG A 64 -8.320 -1.383 -11.388 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.874 -2.727 -11.185 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.518 -4.381 -10.571 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.661 -4.521 -11.892 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.465 -2.449 -12.928 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.205 -2.722 -11.741 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.353 -4.022 -13.478 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.329 -5.243 -12.685 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.171 -4.101 -14.445 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.904 -5.319 -14.649 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.060 -5.818 -16.337 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.367 -4.714 -16.612 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.006 -5.479 -17.440 1.00 0.00 H new ATOM 1035 N ILE A 65 -9.025 -2.424 -8.471 1.00 0.00 N ATOM 1036 CA ILE A 65 -9.066 -2.582 -6.986 1.00 0.00 C ATOM 1037 C ILE A 65 -10.066 -1.597 -6.374 1.00 0.00 C ATOM 1038 O ILE A 65 -11.100 -1.982 -5.865 1.00 0.00 O ATOM 1039 CB ILE A 65 -7.678 -2.303 -6.406 1.00 0.00 C ATOM 1040 CG1 ILE A 65 -6.684 -3.339 -6.933 1.00 0.00 C ATOM 1041 CG2 ILE A 65 -7.741 -2.385 -4.878 1.00 0.00 C ATOM 1042 CD1 ILE A 65 -5.260 -2.921 -6.559 1.00 0.00 C ATOM 0 H ILE A 65 -8.198 -1.948 -8.832 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.374 -3.601 -6.751 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.352 -1.307 -6.705 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.908 -4.319 -6.513 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.775 -3.428 -8.016 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.753 -2.187 -4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.448 -1.645 -4.503 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.067 -3.382 -4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.553 -3.660 -6.935 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.038 -1.949 -7.000 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.173 -2.855 -5.474 1.00 0.00 H new ATOM 1054 N ILE A 66 -9.757 -0.329 -6.403 1.00 0.00 N ATOM 1055 CA ILE A 66 -10.679 0.681 -5.807 1.00 0.00 C ATOM 1056 C ILE A 66 -11.895 0.901 -6.713 1.00 0.00 C ATOM 1057 O ILE A 66 -11.821 0.759 -7.918 1.00 0.00 O ATOM 1058 CB ILE A 66 -9.927 2.003 -5.611 1.00 0.00 C ATOM 1059 CG1 ILE A 66 -9.120 2.333 -6.876 1.00 0.00 C ATOM 1060 CG2 ILE A 66 -8.974 1.873 -4.419 1.00 0.00 C ATOM 1061 CD1 ILE A 66 -8.767 3.822 -6.895 1.00 0.00 C ATOM 0 H ILE A 66 -8.905 0.052 -6.814 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.031 0.314 -4.843 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.644 2.802 -5.422 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -8.210 1.734 -6.904 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -9.698 2.076 -7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.438 2.812 -4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.545 1.642 -3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.259 1.072 -4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -8.195 4.049 -7.795 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.683 4.413 -6.889 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.172 4.066 -6.015 1.00 0.00 H new ATOM 1073 N VAL A 67 -13.015 1.242 -6.122 1.00 0.00 N ATOM 1074 CA VAL A 67 -14.265 1.474 -6.908 1.00 0.00 C ATOM 1075 C VAL A 67 -14.692 0.176 -7.596 1.00 0.00 C ATOM 1076 O VAL A 67 -14.035 -0.312 -8.495 1.00 0.00 O ATOM 1077 CB VAL A 67 -14.029 2.568 -7.954 1.00 0.00 C ATOM 1078 CG1 VAL A 67 -15.373 3.057 -8.495 1.00 0.00 C ATOM 1079 CG2 VAL A 67 -13.288 3.737 -7.303 1.00 0.00 C ATOM 0 H VAL A 67 -13.116 1.371 -5.115 1.00 0.00 H new ATOM 0 HA VAL A 67 -15.057 1.796 -6.232 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.433 2.166 -8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -15.204 3.835 -9.239 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -15.905 2.224 -8.955 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -15.969 3.461 -7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.118 4.518 -8.044 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -13.887 4.137 -6.485 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.330 3.390 -6.915 1.00 0.00 H new ATOM 1089 N ASN A 68 -15.792 -0.389 -7.170 1.00 0.00 N ATOM 1090 CA ASN A 68 -16.271 -1.658 -7.782 1.00 0.00 C ATOM 1091 C ASN A 68 -16.828 -1.386 -9.181 1.00 0.00 C ATOM 1092 O ASN A 68 -17.419 -0.355 -9.443 1.00 0.00 O ATOM 1093 CB ASN A 68 -17.363 -2.271 -6.897 1.00 0.00 C ATOM 1094 CG ASN A 68 -18.311 -1.173 -6.414 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -18.616 -1.093 -5.242 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -18.793 -0.317 -7.273 1.00 0.00 N ATOM 0 H ASN A 68 -16.380 -0.022 -6.421 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.437 -2.355 -7.864 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -17.918 -3.024 -7.457 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.912 -2.777 -6.043 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.426 0.419 -6.959 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -18.537 -0.384 -8.258 1.00 0.00 H new ATOM 1103 N LYS A 69 -16.639 -2.314 -10.084 1.00 0.00 N ATOM 1104 CA LYS A 69 -17.145 -2.139 -11.478 1.00 0.00 C ATOM 1105 C LYS A 69 -18.445 -2.924 -11.635 1.00 0.00 C ATOM 1106 O LYS A 69 -18.903 -3.182 -12.731 1.00 0.00 O ATOM 1107 CB LYS A 69 -16.104 -2.667 -12.467 1.00 0.00 C ATOM 1108 CG LYS A 69 -14.759 -1.961 -12.245 1.00 0.00 C ATOM 1109 CD LYS A 69 -14.889 -0.462 -12.540 1.00 0.00 C ATOM 1110 CE LYS A 69 -13.498 0.149 -12.708 1.00 0.00 C ATOM 1111 NZ LYS A 69 -13.630 1.585 -13.089 1.00 0.00 N ATOM 0 H LYS A 69 -16.151 -3.193 -9.913 1.00 0.00 H new ATOM 0 HA LYS A 69 -17.326 -1.083 -11.677 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.984 -3.743 -12.341 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.446 -2.502 -13.489 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.428 -2.109 -11.217 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.999 -2.401 -12.891 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.477 -0.309 -13.445 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.420 0.034 -11.728 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.934 0.058 -11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.941 -0.392 -13.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.684 2.002 -13.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.152 1.660 -13.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.146 2.096 -12.344 1.00 0.00 H new ATOM 1125 N LEU A 70 -19.046 -3.299 -10.540 1.00 0.00 N ATOM 1126 CA LEU A 70 -20.323 -4.061 -10.606 1.00 0.00 C ATOM 1127 C LEU A 70 -21.432 -3.120 -11.087 1.00 0.00 C ATOM 1128 O LEU A 70 -22.605 -3.437 -11.029 1.00 0.00 O ATOM 1129 CB LEU A 70 -20.665 -4.590 -9.213 1.00 0.00 C ATOM 1130 CG LEU A 70 -19.514 -5.455 -8.688 1.00 0.00 C ATOM 1131 CD1 LEU A 70 -19.832 -5.899 -7.257 1.00 0.00 C ATOM 1132 CD2 LEU A 70 -19.332 -6.693 -9.585 1.00 0.00 C ATOM 0 H LEU A 70 -18.705 -3.109 -9.598 1.00 0.00 H new ATOM 0 HA LEU A 70 -20.227 -4.900 -11.296 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -20.846 -3.758 -8.533 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -21.583 -5.176 -9.252 1.00 0.00 H new ATOM 0 HG LEU A 70 -18.592 -4.874 -8.698 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -19.017 -6.515 -6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.950 -5.021 -6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -20.756 -6.477 -7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -18.512 -7.301 -9.204 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -20.250 -7.281 -9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -19.105 -6.375 -10.603 1.00 0.00 H new ATOM 1144 N GLU A 71 -21.057 -1.960 -11.562 1.00 0.00 N ATOM 1145 CA GLU A 71 -22.055 -0.972 -12.056 1.00 0.00 C ATOM 1146 C GLU A 71 -23.126 -1.672 -12.890 1.00 0.00 C ATOM 1147 O GLU A 71 -22.848 -2.592 -13.636 1.00 0.00 O ATOM 1148 CB GLU A 71 -21.336 0.058 -12.926 1.00 0.00 C ATOM 1149 CG GLU A 71 -20.448 0.934 -12.045 1.00 0.00 C ATOM 1150 CD GLU A 71 -19.505 1.754 -12.927 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -19.994 2.578 -13.681 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -18.306 1.544 -12.830 1.00 0.00 O ATOM 0 H GLU A 71 -20.086 -1.654 -11.628 1.00 0.00 H new ATOM 0 HA GLU A 71 -22.532 -0.486 -11.205 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -20.734 -0.445 -13.682 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -22.063 0.674 -13.456 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -21.063 1.597 -11.436 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -19.873 0.313 -11.358 1.00 0.00 H new ATOM 1159 N HIS A 72 -24.353 -1.237 -12.769 1.00 0.00 N ATOM 1160 CA HIS A 72 -25.459 -1.861 -13.550 1.00 0.00 C ATOM 1161 C HIS A 72 -25.712 -1.035 -14.813 1.00 0.00 C ATOM 1162 O HIS A 72 -26.772 -0.470 -15.003 1.00 0.00 O ATOM 1163 CB HIS A 72 -26.723 -1.914 -12.684 1.00 0.00 C ATOM 1164 CG HIS A 72 -27.241 -0.523 -12.439 1.00 0.00 C ATOM 1165 ND1 HIS A 72 -28.394 -0.046 -13.045 1.00 0.00 N ATOM 1166 CD2 HIS A 72 -26.780 0.502 -11.650 1.00 0.00 C ATOM 1167 CE1 HIS A 72 -28.588 1.214 -12.615 1.00 0.00 C ATOM 1168 NE2 HIS A 72 -27.634 1.594 -11.763 1.00 0.00 N ATOM 0 H HIS A 72 -24.637 -0.471 -12.158 1.00 0.00 H new ATOM 0 HA HIS A 72 -25.187 -2.876 -13.839 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -27.487 -2.513 -13.179 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -26.502 -2.401 -11.734 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -25.892 0.466 -11.037 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -29.413 1.840 -12.921 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -27.549 2.495 -11.293 1.00 0.00 H new ATOM 1176 N HIS A 73 -24.739 -0.968 -15.681 1.00 0.00 N ATOM 1177 CA HIS A 73 -24.903 -0.188 -16.939 1.00 0.00 C ATOM 1178 C HIS A 73 -25.798 -0.976 -17.907 1.00 0.00 C ATOM 1179 O HIS A 73 -26.133 -0.505 -18.976 1.00 0.00 O ATOM 1180 CB HIS A 73 -23.515 0.068 -17.569 1.00 0.00 C ATOM 1181 CG HIS A 73 -22.991 1.423 -17.155 1.00 0.00 C ATOM 1182 ND1 HIS A 73 -22.776 1.768 -15.827 1.00 0.00 N ATOM 1183 CD2 HIS A 73 -22.640 2.530 -17.890 1.00 0.00 C ATOM 1184 CE1 HIS A 73 -22.318 3.035 -15.806 1.00 0.00 C ATOM 1185 NE2 HIS A 73 -22.217 3.541 -17.036 1.00 0.00 N ATOM 0 H HIS A 73 -23.833 -1.423 -15.571 1.00 0.00 H new ATOM 0 HA HIS A 73 -25.372 0.773 -16.726 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -22.818 -0.710 -17.257 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -23.586 0.015 -18.655 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -22.686 2.603 -18.967 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -22.064 3.574 -14.905 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -21.897 4.474 -17.295 1.00 0.00 H new ATOM 1193 N HIS A 74 -26.190 -2.164 -17.533 1.00 0.00 N ATOM 1194 CA HIS A 74 -27.071 -2.984 -18.418 1.00 0.00 C ATOM 1195 C HIS A 74 -26.511 -2.994 -19.851 1.00 0.00 C ATOM 1196 O HIS A 74 -25.743 -3.860 -20.224 1.00 0.00 O ATOM 1197 CB HIS A 74 -28.498 -2.378 -18.408 1.00 0.00 C ATOM 1198 CG HIS A 74 -29.396 -3.153 -17.477 1.00 0.00 C ATOM 1199 ND1 HIS A 74 -28.989 -3.556 -16.212 1.00 0.00 N ATOM 1200 CD2 HIS A 74 -30.682 -3.610 -17.620 1.00 0.00 C ATOM 1201 CE1 HIS A 74 -30.015 -4.224 -15.650 1.00 0.00 C ATOM 1202 NE2 HIS A 74 -31.067 -4.284 -16.468 1.00 0.00 N ATOM 0 H HIS A 74 -25.937 -2.605 -16.649 1.00 0.00 H new ATOM 0 HA HIS A 74 -27.108 -4.010 -18.052 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -28.454 -1.335 -18.095 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -28.912 -2.391 -19.416 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -31.300 -3.467 -18.494 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -29.989 -4.657 -14.661 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -31.966 -4.731 -16.286 1.00 0.00 H new ATOM 1210 N HIS A 75 -26.911 -2.047 -20.654 1.00 0.00 N ATOM 1211 CA HIS A 75 -26.430 -2.000 -22.066 1.00 0.00 C ATOM 1212 C HIS A 75 -24.893 -1.994 -22.086 1.00 0.00 C ATOM 1213 O HIS A 75 -24.266 -0.955 -21.989 1.00 0.00 O ATOM 1214 CB HIS A 75 -26.981 -0.726 -22.767 1.00 0.00 C ATOM 1215 CG HIS A 75 -27.713 0.138 -21.770 1.00 0.00 C ATOM 1216 ND1 HIS A 75 -28.933 -0.002 -21.156 1.00 0.00 N flip ATOM 1217 CD2 HIS A 75 -27.171 1.315 -21.274 1.00 0.00 C flip ATOM 1218 CE1 HIS A 75 -29.142 1.066 -20.291 1.00 0.00 C flip ATOM 1219 NE2 HIS A 75 -28.055 1.831 -20.398 1.00 0.00 N flip ATOM 0 H HIS A 75 -27.554 -1.299 -20.393 1.00 0.00 H new ATOM 0 HA HIS A 75 -26.789 -2.879 -22.601 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -26.161 -0.164 -23.214 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -27.653 -1.009 -23.577 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -26.215 1.740 -21.541 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -30.004 1.240 -19.664 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -27.911 2.698 -19.881 1.00 0.00 H new ATOM 1227 N HIS A 76 -24.288 -3.142 -22.226 1.00 0.00 N ATOM 1228 CA HIS A 76 -22.800 -3.201 -22.270 1.00 0.00 C ATOM 1229 C HIS A 76 -22.361 -4.543 -22.858 1.00 0.00 C ATOM 1230 O HIS A 76 -23.114 -5.497 -22.874 1.00 0.00 O ATOM 1231 CB HIS A 76 -22.230 -3.046 -20.858 1.00 0.00 C ATOM 1232 CG HIS A 76 -20.725 -3.019 -20.925 1.00 0.00 C ATOM 1233 ND1 HIS A 76 -19.855 -2.508 -21.859 1.00 0.00 N flip ATOM 1234 CD2 HIS A 76 -19.929 -3.581 -19.936 1.00 0.00 C flip ATOM 1235 CE1 HIS A 76 -18.547 -2.748 -21.455 1.00 0.00 C flip ATOM 1236 NE2 HIS A 76 -18.644 -3.395 -20.293 1.00 0.00 N flip ATOM 0 H HIS A 76 -24.761 -4.042 -22.312 1.00 0.00 H new ATOM 0 HA HIS A 76 -22.426 -2.390 -22.895 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -22.601 -2.128 -20.403 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -22.562 -3.871 -20.227 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.277 -4.077 -19.042 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.642 -2.469 -21.974 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -17.845 -3.710 -19.743 1.00 0.00 H new ATOM 1244 N HIS A 77 -21.146 -4.616 -23.344 1.00 0.00 N ATOM 1245 CA HIS A 77 -20.631 -5.888 -23.941 1.00 0.00 C ATOM 1246 C HIS A 77 -21.159 -6.024 -25.375 1.00 0.00 C ATOM 1247 O HIS A 77 -22.367 -6.052 -25.541 1.00 0.00 O ATOM 1248 CB HIS A 77 -21.083 -7.096 -23.089 1.00 0.00 C ATOM 1249 CG HIS A 77 -20.041 -8.182 -23.136 1.00 0.00 C ATOM 1250 ND1 HIS A 77 -19.576 -8.710 -24.331 1.00 0.00 N ATOM 1251 CD2 HIS A 77 -19.354 -8.836 -22.144 1.00 0.00 C ATOM 1252 CE1 HIS A 77 -18.647 -9.637 -24.032 1.00 0.00 C ATOM 1253 NE2 HIS A 77 -18.476 -9.750 -22.714 1.00 0.00 N ATOM 1254 OXT HIS A 77 -20.344 -6.098 -26.280 1.00 0.00 O ATOM 0 H HIS A 77 -20.483 -3.841 -23.353 1.00 0.00 H new ATOM 0 HA HIS A 77 -19.541 -5.866 -23.958 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -21.246 -6.783 -22.058 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -22.034 -7.478 -23.461 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -19.477 -8.667 -21.084 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -18.108 -10.216 -24.767 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -17.835 -10.376 -22.227 1.00 0.00 H new TER 1262 HIS A 77 ATOM 1263 N MET B 1 -8.257 -11.718 -13.418 1.00 0.00 N ATOM 1264 CA MET B 1 -7.057 -10.852 -13.572 1.00 0.00 C ATOM 1265 C MET B 1 -6.648 -10.322 -12.195 1.00 0.00 C ATOM 1266 O MET B 1 -7.045 -9.250 -11.784 1.00 0.00 O ATOM 1267 CB MET B 1 -7.397 -9.681 -14.500 1.00 0.00 C ATOM 1268 CG MET B 1 -7.744 -10.213 -15.896 1.00 0.00 C ATOM 1269 SD MET B 1 -6.298 -11.022 -16.631 1.00 0.00 S ATOM 1270 CE MET B 1 -5.332 -9.532 -16.994 1.00 0.00 C ATOM 0 H1 MET B 1 -8.345 -12.341 -14.247 1.00 0.00 H new ATOM 0 H2 MET B 1 -8.160 -12.296 -12.559 1.00 0.00 H new ATOM 0 H3 MET B 1 -9.107 -11.123 -13.341 1.00 0.00 H new ATOM 0 HA MET B 1 -6.234 -11.423 -14.001 1.00 0.00 H new ATOM 0 HB2 MET B 1 -8.237 -9.116 -14.096 1.00 0.00 H new ATOM 0 HB3 MET B 1 -6.552 -8.995 -14.561 1.00 0.00 H new ATOM 0 HG2 MET B 1 -8.571 -10.920 -15.829 1.00 0.00 H new ATOM 0 HG3 MET B 1 -8.076 -9.394 -16.534 1.00 0.00 H new ATOM 0 HE1 MET B 1 -4.947 -9.587 -18.012 1.00 0.00 H new ATOM 0 HE2 MET B 1 -5.968 -8.653 -16.894 1.00 0.00 H new ATOM 0 HE3 MET B 1 -4.499 -9.459 -16.295 1.00 0.00 H new ATOM 1282 N GLU B 2 -5.868 -11.080 -11.472 1.00 0.00 N ATOM 1283 CA GLU B 2 -5.442 -10.643 -10.112 1.00 0.00 C ATOM 1284 C GLU B 2 -4.347 -9.577 -10.205 1.00 0.00 C ATOM 1285 O GLU B 2 -3.765 -9.353 -11.247 1.00 0.00 O ATOM 1286 CB GLU B 2 -4.913 -11.849 -9.332 1.00 0.00 C ATOM 1287 CG GLU B 2 -6.069 -12.799 -9.020 1.00 0.00 C ATOM 1288 CD GLU B 2 -5.543 -14.000 -8.234 1.00 0.00 C ATOM 1289 OE1 GLU B 2 -4.361 -14.281 -8.341 1.00 0.00 O ATOM 1290 OE2 GLU B 2 -6.328 -14.610 -7.527 1.00 0.00 O ATOM 0 H GLU B 2 -5.506 -11.987 -11.767 1.00 0.00 H new ATOM 0 HA GLU B 2 -6.303 -10.216 -9.597 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -4.150 -12.366 -9.914 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -4.440 -11.519 -8.407 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -6.835 -12.280 -8.443 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -6.539 -13.134 -9.945 1.00 0.00 H new ATOM 1297 N LEU B 3 -4.070 -8.918 -9.109 1.00 0.00 N ATOM 1298 CA LEU B 3 -3.020 -7.858 -9.106 1.00 0.00 C ATOM 1299 C LEU B 3 -1.665 -8.481 -9.452 1.00 0.00 C ATOM 1300 O LEU B 3 -0.904 -7.946 -10.235 1.00 0.00 O ATOM 1301 CB LEU B 3 -2.954 -7.236 -7.705 1.00 0.00 C ATOM 1302 CG LEU B 3 -1.887 -6.135 -7.646 1.00 0.00 C ATOM 1303 CD1 LEU B 3 -2.220 -5.015 -8.648 1.00 0.00 C ATOM 1304 CD2 LEU B 3 -1.854 -5.565 -6.224 1.00 0.00 C ATOM 0 H LEU B 3 -4.530 -9.070 -8.211 1.00 0.00 H new ATOM 0 HA LEU B 3 -3.261 -7.092 -9.843 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -3.926 -6.820 -7.441 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -2.727 -8.008 -6.970 1.00 0.00 H new ATOM 0 HG LEU B 3 -0.914 -6.552 -7.907 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -1.455 -4.241 -8.596 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -2.251 -5.427 -9.657 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -3.190 -4.584 -8.402 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -1.100 -4.780 -6.164 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -2.831 -5.150 -5.976 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -1.608 -6.359 -5.519 1.00 0.00 H new ATOM 1316 N SER B 4 -1.357 -9.606 -8.870 1.00 0.00 N ATOM 1317 CA SER B 4 -0.053 -10.266 -9.157 1.00 0.00 C ATOM 1318 C SER B 4 -0.026 -10.762 -10.606 1.00 0.00 C ATOM 1319 O SER B 4 1.007 -10.784 -11.246 1.00 0.00 O ATOM 1320 CB SER B 4 0.148 -11.446 -8.202 1.00 0.00 C ATOM 1321 OG SER B 4 1.530 -11.779 -8.156 1.00 0.00 O ATOM 0 H SER B 4 -1.954 -10.098 -8.206 1.00 0.00 H new ATOM 0 HA SER B 4 0.752 -9.545 -9.013 1.00 0.00 H new ATOM 0 HB2 SER B 4 -0.210 -11.188 -7.205 1.00 0.00 H new ATOM 0 HB3 SER B 4 -0.434 -12.304 -8.537 1.00 0.00 H new ATOM 0 HG SER B 4 1.842 -11.753 -7.227 1.00 0.00 H new ATOM 1327 N ASN B 5 -1.150 -11.170 -11.126 1.00 0.00 N ATOM 1328 CA ASN B 5 -1.181 -11.673 -12.528 1.00 0.00 C ATOM 1329 C ASN B 5 -0.712 -10.569 -13.480 1.00 0.00 C ATOM 1330 O ASN B 5 0.118 -10.787 -14.341 1.00 0.00 O ATOM 1331 CB ASN B 5 -2.619 -12.064 -12.880 1.00 0.00 C ATOM 1332 CG ASN B 5 -2.681 -12.551 -14.327 1.00 0.00 C ATOM 1333 OD1 ASN B 5 -2.274 -13.656 -14.627 1.00 0.00 O ATOM 1334 ND2 ASN B 5 -3.172 -11.765 -15.246 1.00 0.00 N ATOM 0 H ASN B 5 -2.048 -11.177 -10.642 1.00 0.00 H new ATOM 0 HA ASN B 5 -0.523 -12.537 -12.624 1.00 0.00 H new ATOM 0 HB2 ASN B 5 -2.968 -12.847 -12.207 1.00 0.00 H new ATOM 0 HB3 ASN B 5 -3.282 -11.209 -12.745 1.00 0.00 H new ATOM 0 HD21 ASN B 5 -3.214 -12.078 -16.216 1.00 0.00 H new ATOM 0 HD22 ASN B 5 -3.514 -10.837 -14.994 1.00 0.00 H new ATOM 1341 N GLU B 6 -1.225 -9.381 -13.324 1.00 0.00 N ATOM 1342 CA GLU B 6 -0.797 -8.263 -14.211 1.00 0.00 C ATOM 1343 C GLU B 6 0.610 -7.800 -13.826 1.00 0.00 C ATOM 1344 O GLU B 6 1.397 -7.405 -14.665 1.00 0.00 O ATOM 1345 CB GLU B 6 -1.778 -7.098 -14.083 1.00 0.00 C ATOM 1346 CG GLU B 6 -3.107 -7.489 -14.730 1.00 0.00 C ATOM 1347 CD GLU B 6 -4.071 -6.304 -14.671 1.00 0.00 C ATOM 1348 OE1 GLU B 6 -4.047 -5.502 -15.591 1.00 0.00 O ATOM 1349 OE2 GLU B 6 -4.815 -6.216 -13.708 1.00 0.00 O ATOM 0 H GLU B 6 -1.922 -9.135 -12.621 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.786 -8.612 -15.244 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -1.930 -6.848 -13.033 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -1.372 -6.210 -14.566 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -2.945 -7.789 -15.765 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -3.537 -8.347 -14.213 1.00 0.00 H new ATOM 1356 N LEU B 7 0.933 -7.837 -12.563 1.00 0.00 N ATOM 1357 CA LEU B 7 2.287 -7.388 -12.127 1.00 0.00 C ATOM 1358 C LEU B 7 3.354 -8.275 -12.780 1.00 0.00 C ATOM 1359 O LEU B 7 4.344 -7.796 -13.300 1.00 0.00 O ATOM 1360 CB LEU B 7 2.379 -7.514 -10.597 1.00 0.00 C ATOM 1361 CG LEU B 7 3.515 -6.625 -10.049 1.00 0.00 C ATOM 1362 CD1 LEU B 7 3.020 -5.180 -9.869 1.00 0.00 C ATOM 1363 CD2 LEU B 7 3.986 -7.170 -8.690 1.00 0.00 C ATOM 0 H LEU B 7 0.320 -8.158 -11.814 1.00 0.00 H new ATOM 0 HA LEU B 7 2.451 -6.352 -12.425 1.00 0.00 H new ATOM 0 HB2 LEU B 7 1.431 -7.223 -10.145 1.00 0.00 H new ATOM 0 HB3 LEU B 7 2.558 -8.553 -10.322 1.00 0.00 H new ATOM 0 HG LEU B 7 4.342 -6.635 -10.759 1.00 0.00 H new ATOM 0 HD11 LEU B 7 3.831 -4.563 -9.482 1.00 0.00 H new ATOM 0 HD12 LEU B 7 2.691 -4.786 -10.830 1.00 0.00 H new ATOM 0 HD13 LEU B 7 2.186 -5.166 -9.167 1.00 0.00 H new ATOM 0 HD21 LEU B 7 4.788 -6.541 -8.304 1.00 0.00 H new ATOM 0 HD22 LEU B 7 3.152 -7.166 -7.988 1.00 0.00 H new ATOM 0 HD23 LEU B 7 4.352 -8.189 -8.814 1.00 0.00 H new ATOM 1375 N LYS B 8 3.156 -9.563 -12.762 1.00 0.00 N ATOM 1376 CA LYS B 8 4.149 -10.484 -13.382 1.00 0.00 C ATOM 1377 C LYS B 8 4.202 -10.243 -14.896 1.00 0.00 C ATOM 1378 O LYS B 8 5.260 -10.200 -15.494 1.00 0.00 O ATOM 1379 CB LYS B 8 3.737 -11.930 -13.099 1.00 0.00 C ATOM 1380 CG LYS B 8 4.818 -12.886 -13.608 1.00 0.00 C ATOM 1381 CD LYS B 8 4.505 -14.313 -13.139 1.00 0.00 C ATOM 1382 CE LYS B 8 3.271 -14.852 -13.870 1.00 0.00 C ATOM 1383 NZ LYS B 8 3.207 -16.331 -13.696 1.00 0.00 N ATOM 0 H LYS B 8 2.346 -10.020 -12.343 1.00 0.00 H new ATOM 0 HA LYS B 8 5.136 -10.298 -12.959 1.00 0.00 H new ATOM 0 HB2 LYS B 8 3.587 -12.072 -12.029 1.00 0.00 H new ATOM 0 HB3 LYS B 8 2.787 -12.149 -13.586 1.00 0.00 H new ATOM 0 HG2 LYS B 8 4.865 -12.852 -14.696 1.00 0.00 H new ATOM 0 HG3 LYS B 8 5.795 -12.577 -13.237 1.00 0.00 H new ATOM 0 HD2 LYS B 8 5.361 -14.961 -13.328 1.00 0.00 H new ATOM 0 HD3 LYS B 8 4.331 -14.320 -12.063 1.00 0.00 H new ATOM 0 HE2 LYS B 8 2.367 -14.388 -13.475 1.00 0.00 H new ATOM 0 HE3 LYS B 8 3.322 -14.600 -14.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 2.371 -16.703 -14.190 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 4.065 -16.765 -14.093 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 3.140 -16.559 -12.683 1.00 0.00 H new ATOM 1397 N VAL B 9 3.067 -10.088 -15.520 1.00 0.00 N ATOM 1398 CA VAL B 9 3.047 -9.855 -16.992 1.00 0.00 C ATOM 1399 C VAL B 9 3.767 -8.545 -17.322 1.00 0.00 C ATOM 1400 O VAL B 9 4.552 -8.477 -18.249 1.00 0.00 O ATOM 1401 CB VAL B 9 1.597 -9.781 -17.474 1.00 0.00 C ATOM 1402 CG1 VAL B 9 1.567 -9.363 -18.949 1.00 0.00 C ATOM 1403 CG2 VAL B 9 0.950 -11.160 -17.322 1.00 0.00 C ATOM 0 H VAL B 9 2.150 -10.113 -15.073 1.00 0.00 H new ATOM 0 HA VAL B 9 3.557 -10.677 -17.494 1.00 0.00 H new ATOM 0 HB VAL B 9 1.049 -9.048 -16.881 1.00 0.00 H new ATOM 0 HG11 VAL B 9 0.533 -9.311 -19.291 1.00 0.00 H new ATOM 0 HG12 VAL B 9 2.036 -8.385 -19.060 1.00 0.00 H new ATOM 0 HG13 VAL B 9 2.110 -10.096 -19.546 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -0.084 -11.116 -17.663 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.499 -11.887 -17.920 1.00 0.00 H new ATOM 0 HG23 VAL B 9 0.974 -11.460 -16.274 1.00 0.00 H new ATOM 1413 N GLU B 10 3.506 -7.503 -16.581 1.00 0.00 N ATOM 1414 CA GLU B 10 4.175 -6.211 -16.866 1.00 0.00 C ATOM 1415 C GLU B 10 5.696 -6.419 -16.775 1.00 0.00 C ATOM 1416 O GLU B 10 6.459 -5.822 -17.511 1.00 0.00 O ATOM 1417 CB GLU B 10 3.684 -5.166 -15.839 1.00 0.00 C ATOM 1418 CG GLU B 10 3.369 -3.836 -16.532 1.00 0.00 C ATOM 1419 CD GLU B 10 2.147 -4.001 -17.441 1.00 0.00 C ATOM 1420 OE1 GLU B 10 1.711 -5.126 -17.619 1.00 0.00 O ATOM 1421 OE2 GLU B 10 1.663 -2.995 -17.937 1.00 0.00 O ATOM 0 H GLU B 10 2.859 -7.494 -15.793 1.00 0.00 H new ATOM 0 HA GLU B 10 3.935 -5.850 -17.866 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.794 -5.537 -15.331 1.00 0.00 H new ATOM 0 HB3 GLU B 10 4.446 -5.013 -15.075 1.00 0.00 H new ATOM 0 HG2 GLU B 10 3.178 -3.064 -15.787 1.00 0.00 H new ATOM 0 HG3 GLU B 10 4.228 -3.508 -17.118 1.00 0.00 H new ATOM 1428 N ARG B 11 6.142 -7.276 -15.892 1.00 0.00 N ATOM 1429 CA ARG B 11 7.609 -7.531 -15.788 1.00 0.00 C ATOM 1430 C ARG B 11 8.101 -8.082 -17.128 1.00 0.00 C ATOM 1431 O ARG B 11 9.123 -7.676 -17.646 1.00 0.00 O ATOM 1432 CB ARG B 11 7.893 -8.580 -14.702 1.00 0.00 C ATOM 1433 CG ARG B 11 9.407 -8.669 -14.460 1.00 0.00 C ATOM 1434 CD ARG B 11 9.743 -9.956 -13.702 1.00 0.00 C ATOM 1435 NE ARG B 11 9.133 -9.925 -12.343 1.00 0.00 N ATOM 1436 CZ ARG B 11 9.639 -9.155 -11.420 1.00 0.00 C ATOM 1437 NH1 ARG B 11 10.632 -8.361 -11.707 1.00 0.00 N ATOM 1438 NH2 ARG B 11 9.144 -9.174 -10.212 1.00 0.00 N ATOM 0 H ARG B 11 5.559 -7.806 -15.244 1.00 0.00 H new ATOM 0 HA ARG B 11 8.117 -6.601 -15.534 1.00 0.00 H new ATOM 0 HB2 ARG B 11 7.381 -8.310 -13.778 1.00 0.00 H new ATOM 0 HB3 ARG B 11 7.505 -9.551 -15.009 1.00 0.00 H new ATOM 0 HG2 ARG B 11 9.937 -8.649 -15.412 1.00 0.00 H new ATOM 0 HG3 ARG B 11 9.744 -7.803 -13.890 1.00 0.00 H new ATOM 0 HD2 ARG B 11 9.374 -10.820 -14.255 1.00 0.00 H new ATOM 0 HD3 ARG B 11 10.824 -10.068 -13.621 1.00 0.00 H new ATOM 0 HE ARG B 11 8.320 -10.505 -12.135 1.00 0.00 H new ATOM 0 HH11 ARG B 11 11.013 -8.342 -12.653 1.00 0.00 H new ATOM 0 HH12 ARG B 11 11.028 -7.759 -10.986 1.00 0.00 H new ATOM 0 HH21 ARG B 11 8.362 -9.791 -9.991 1.00 0.00 H new ATOM 0 HH22 ARG B 11 9.539 -8.572 -9.489 1.00 0.00 H new ATOM 1452 N ILE B 12 7.379 -9.017 -17.685 1.00 0.00 N ATOM 1453 CA ILE B 12 7.792 -9.616 -18.986 1.00 0.00 C ATOM 1454 C ILE B 12 7.784 -8.540 -20.076 1.00 0.00 C ATOM 1455 O ILE B 12 8.686 -8.457 -20.886 1.00 0.00 O ATOM 1456 CB ILE B 12 6.816 -10.735 -19.360 1.00 0.00 C ATOM 1457 CG1 ILE B 12 6.968 -11.892 -18.369 1.00 0.00 C ATOM 1458 CG2 ILE B 12 7.131 -11.239 -20.772 1.00 0.00 C ATOM 1459 CD1 ILE B 12 5.805 -12.875 -18.537 1.00 0.00 C ATOM 0 H ILE B 12 6.516 -9.393 -17.292 1.00 0.00 H new ATOM 0 HA ILE B 12 8.798 -10.025 -18.895 1.00 0.00 H new ATOM 0 HB ILE B 12 5.796 -10.352 -19.327 1.00 0.00 H new ATOM 0 HG12 ILE B 12 7.916 -12.404 -18.536 1.00 0.00 H new ATOM 0 HG13 ILE B 12 6.988 -11.509 -17.349 1.00 0.00 H new ATOM 0 HG21 ILE B 12 6.436 -12.036 -21.038 1.00 0.00 H new ATOM 0 HG22 ILE B 12 7.031 -10.418 -21.482 1.00 0.00 H new ATOM 0 HG23 ILE B 12 8.151 -11.622 -20.802 1.00 0.00 H new ATOM 0 HD11 ILE B 12 5.918 -13.696 -17.830 1.00 0.00 H new ATOM 0 HD12 ILE B 12 4.863 -12.360 -18.348 1.00 0.00 H new ATOM 0 HD13 ILE B 12 5.805 -13.269 -19.553 1.00 0.00 H new ATOM 1471 N ARG B 13 6.778 -7.713 -20.101 1.00 0.00 N ATOM 1472 CA ARG B 13 6.721 -6.643 -21.138 1.00 0.00 C ATOM 1473 C ARG B 13 7.949 -5.746 -21.008 1.00 0.00 C ATOM 1474 O ARG B 13 8.549 -5.347 -21.988 1.00 0.00 O ATOM 1475 CB ARG B 13 5.459 -5.807 -20.935 1.00 0.00 C ATOM 1476 CG ARG B 13 4.239 -6.613 -21.374 1.00 0.00 C ATOM 1477 CD ARG B 13 2.971 -5.830 -21.041 1.00 0.00 C ATOM 1478 NE ARG B 13 3.050 -4.479 -21.660 1.00 0.00 N ATOM 1479 CZ ARG B 13 2.946 -4.339 -22.953 1.00 0.00 C ATOM 1480 NH1 ARG B 13 2.777 -5.385 -23.713 1.00 0.00 N ATOM 1481 NH2 ARG B 13 3.017 -3.149 -23.487 1.00 0.00 N ATOM 0 H ARG B 13 5.993 -7.730 -19.450 1.00 0.00 H new ATOM 0 HA ARG B 13 6.703 -7.096 -22.129 1.00 0.00 H new ATOM 0 HB2 ARG B 13 5.363 -5.523 -19.887 1.00 0.00 H new ATOM 0 HB3 ARG B 13 5.525 -4.884 -21.511 1.00 0.00 H new ATOM 0 HG2 ARG B 13 4.287 -6.812 -22.445 1.00 0.00 H new ATOM 0 HG3 ARG B 13 4.227 -7.579 -20.870 1.00 0.00 H new ATOM 0 HD2 ARG B 13 2.094 -6.361 -21.411 1.00 0.00 H new ATOM 0 HD3 ARG B 13 2.858 -5.741 -19.961 1.00 0.00 H new ATOM 0 HE ARG B 13 3.186 -3.658 -21.070 1.00 0.00 H new ATOM 0 HH11 ARG B 13 2.726 -6.315 -23.297 1.00 0.00 H new ATOM 0 HH12 ARG B 13 2.696 -5.273 -24.724 1.00 0.00 H new ATOM 0 HH21 ARG B 13 3.154 -2.331 -22.893 1.00 0.00 H new ATOM 0 HH22 ARG B 13 2.936 -3.038 -24.498 1.00 0.00 H new ATOM 1495 N LEU B 14 8.333 -5.431 -19.805 1.00 0.00 N ATOM 1496 CA LEU B 14 9.529 -4.567 -19.602 1.00 0.00 C ATOM 1497 C LEU B 14 10.772 -5.456 -19.485 1.00 0.00 C ATOM 1498 O LEU B 14 11.876 -4.979 -19.314 1.00 0.00 O ATOM 1499 CB LEU B 14 9.344 -3.753 -18.321 1.00 0.00 C ATOM 1500 CG LEU B 14 8.100 -2.864 -18.452 1.00 0.00 C ATOM 1501 CD1 LEU B 14 7.851 -2.144 -17.123 1.00 0.00 C ATOM 1502 CD2 LEU B 14 8.304 -1.826 -19.573 1.00 0.00 C ATOM 0 H LEU B 14 7.869 -5.735 -18.949 1.00 0.00 H new ATOM 0 HA LEU B 14 9.651 -3.887 -20.445 1.00 0.00 H new ATOM 0 HB2 LEU B 14 9.238 -4.421 -17.466 1.00 0.00 H new ATOM 0 HB3 LEU B 14 10.225 -3.138 -18.138 1.00 0.00 H new ATOM 0 HG LEU B 14 7.240 -3.486 -18.701 1.00 0.00 H new ATOM 0 HD11 LEU B 14 6.968 -1.511 -17.212 1.00 0.00 H new ATOM 0 HD12 LEU B 14 7.692 -2.880 -16.335 1.00 0.00 H new ATOM 0 HD13 LEU B 14 8.715 -1.528 -16.875 1.00 0.00 H new ATOM 0 HD21 LEU B 14 7.415 -1.201 -19.656 1.00 0.00 H new ATOM 0 HD22 LEU B 14 9.166 -1.201 -19.338 1.00 0.00 H new ATOM 0 HD23 LEU B 14 8.476 -2.341 -20.518 1.00 0.00 H new ATOM 1514 N SER B 15 10.592 -6.751 -19.581 1.00 0.00 N ATOM 1515 CA SER B 15 11.751 -7.690 -19.486 1.00 0.00 C ATOM 1516 C SER B 15 12.672 -7.264 -18.337 1.00 0.00 C ATOM 1517 O SER B 15 13.809 -6.887 -18.547 1.00 0.00 O ATOM 1518 CB SER B 15 12.533 -7.672 -20.800 1.00 0.00 C ATOM 1519 OG SER B 15 12.662 -6.330 -21.248 1.00 0.00 O ATOM 0 H SER B 15 9.687 -7.199 -19.722 1.00 0.00 H new ATOM 0 HA SER B 15 11.381 -8.698 -19.296 1.00 0.00 H new ATOM 0 HB2 SER B 15 13.518 -8.117 -20.657 1.00 0.00 H new ATOM 0 HB3 SER B 15 12.019 -8.271 -21.551 1.00 0.00 H new ATOM 0 HG SER B 15 12.875 -5.750 -20.487 1.00 0.00 H new ATOM 1525 N LEU B 16 12.181 -7.319 -17.124 1.00 0.00 N ATOM 1526 CA LEU B 16 13.004 -6.917 -15.942 1.00 0.00 C ATOM 1527 C LEU B 16 13.305 -8.153 -15.094 1.00 0.00 C ATOM 1528 O LEU B 16 12.518 -9.079 -15.027 1.00 0.00 O ATOM 1529 CB LEU B 16 12.216 -5.908 -15.107 1.00 0.00 C ATOM 1530 CG LEU B 16 11.830 -4.706 -15.974 1.00 0.00 C ATOM 1531 CD1 LEU B 16 10.861 -3.817 -15.191 1.00 0.00 C ATOM 1532 CD2 LEU B 16 13.080 -3.894 -16.348 1.00 0.00 C ATOM 0 H LEU B 16 11.235 -7.629 -16.900 1.00 0.00 H new ATOM 0 HA LEU B 16 13.939 -6.468 -16.276 1.00 0.00 H new ATOM 0 HB2 LEU B 16 11.320 -6.378 -14.702 1.00 0.00 H new ATOM 0 HB3 LEU B 16 12.815 -5.578 -14.258 1.00 0.00 H new ATOM 0 HG LEU B 16 11.356 -5.062 -16.889 1.00 0.00 H new ATOM 0 HD11 LEU B 16 10.581 -2.958 -15.801 1.00 0.00 H new ATOM 0 HD12 LEU B 16 9.968 -4.388 -14.937 1.00 0.00 H new ATOM 0 HD13 LEU B 16 11.343 -3.471 -14.277 1.00 0.00 H new ATOM 0 HD21 LEU B 16 12.790 -3.043 -16.964 1.00 0.00 H new ATOM 0 HD22 LEU B 16 13.566 -3.536 -15.441 1.00 0.00 H new ATOM 0 HD23 LEU B 16 13.771 -4.526 -16.905 1.00 0.00 H new ATOM 1544 N THR B 17 14.446 -8.178 -14.454 1.00 0.00 N ATOM 1545 CA THR B 17 14.821 -9.355 -13.613 1.00 0.00 C ATOM 1546 C THR B 17 14.554 -9.047 -12.139 1.00 0.00 C ATOM 1547 O THR B 17 14.796 -7.954 -11.665 1.00 0.00 O ATOM 1548 CB THR B 17 16.306 -9.655 -13.809 1.00 0.00 C ATOM 1549 OG1 THR B 17 17.042 -8.444 -13.736 1.00 0.00 O ATOM 1550 CG2 THR B 17 16.520 -10.301 -15.178 1.00 0.00 C ATOM 0 H THR B 17 15.138 -7.429 -14.478 1.00 0.00 H new ATOM 0 HA THR B 17 14.226 -10.218 -13.910 1.00 0.00 H new ATOM 0 HB THR B 17 16.647 -10.337 -13.030 1.00 0.00 H new ATOM 0 HG1 THR B 17 17.725 -8.518 -13.037 1.00 0.00 H new ATOM 0 HG21 THR B 17 17.580 -10.515 -15.318 1.00 0.00 H new ATOM 0 HG22 THR B 17 15.952 -11.229 -15.235 1.00 0.00 H new ATOM 0 HG23 THR B 17 16.181 -9.620 -15.959 1.00 0.00 H new ATOM 1558 N ALA B 18 14.054 -10.009 -11.412 1.00 0.00 N ATOM 1559 CA ALA B 18 13.763 -9.786 -9.969 1.00 0.00 C ATOM 1560 C ALA B 18 15.063 -9.476 -9.224 1.00 0.00 C ATOM 1561 O ALA B 18 15.102 -8.643 -8.340 1.00 0.00 O ATOM 1562 CB ALA B 18 13.129 -11.052 -9.383 1.00 0.00 C ATOM 0 H ALA B 18 13.834 -10.943 -11.758 1.00 0.00 H new ATOM 0 HA ALA B 18 13.077 -8.946 -9.860 1.00 0.00 H new ATOM 0 HB1 ALA B 18 12.913 -10.895 -8.326 1.00 0.00 H new ATOM 0 HB2 ALA B 18 12.203 -11.274 -9.913 1.00 0.00 H new ATOM 0 HB3 ALA B 18 13.819 -11.889 -9.492 1.00 0.00 H new ATOM 1568 N LYS B 19 16.126 -10.140 -9.575 1.00 0.00 N ATOM 1569 CA LYS B 19 17.425 -9.888 -8.893 1.00 0.00 C ATOM 1570 C LYS B 19 17.865 -8.442 -9.132 1.00 0.00 C ATOM 1571 O LYS B 19 18.345 -7.772 -8.240 1.00 0.00 O ATOM 1572 CB LYS B 19 18.479 -10.848 -9.451 1.00 0.00 C ATOM 1573 CG LYS B 19 19.785 -10.689 -8.674 1.00 0.00 C ATOM 1574 CD LYS B 19 20.813 -11.688 -9.206 1.00 0.00 C ATOM 1575 CE LYS B 19 22.119 -11.542 -8.426 1.00 0.00 C ATOM 1576 NZ LYS B 19 21.877 -11.855 -6.990 1.00 0.00 N ATOM 0 H LYS B 19 16.152 -10.849 -10.308 1.00 0.00 H new ATOM 0 HA LYS B 19 17.312 -10.051 -7.821 1.00 0.00 H new ATOM 0 HB2 LYS B 19 18.124 -11.876 -9.377 1.00 0.00 H new ATOM 0 HB3 LYS B 19 18.647 -10.644 -10.508 1.00 0.00 H new ATOM 0 HG2 LYS B 19 20.162 -9.672 -8.778 1.00 0.00 H new ATOM 0 HG3 LYS B 19 19.612 -10.858 -7.611 1.00 0.00 H new ATOM 0 HD2 LYS B 19 20.431 -12.704 -9.109 1.00 0.00 H new ATOM 0 HD3 LYS B 19 20.990 -11.513 -10.267 1.00 0.00 H new ATOM 0 HE2 LYS B 19 22.875 -12.213 -8.833 1.00 0.00 H new ATOM 0 HE3 LYS B 19 22.505 -10.528 -8.528 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 22.774 -12.122 -6.537 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 21.484 -11.018 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 21.204 -12.644 -6.915 1.00 0.00 H new ATOM 1590 N SER B 20 17.713 -7.957 -10.334 1.00 0.00 N ATOM 1591 CA SER B 20 18.130 -6.556 -10.632 1.00 0.00 C ATOM 1592 C SER B 20 17.355 -5.574 -9.749 1.00 0.00 C ATOM 1593 O SER B 20 17.918 -4.658 -9.184 1.00 0.00 O ATOM 1594 CB SER B 20 17.846 -6.246 -12.102 1.00 0.00 C ATOM 1595 OG SER B 20 18.729 -7.003 -12.919 1.00 0.00 O ATOM 0 H SER B 20 17.318 -8.469 -11.123 1.00 0.00 H new ATOM 0 HA SER B 20 19.196 -6.452 -10.429 1.00 0.00 H new ATOM 0 HB2 SER B 20 16.811 -6.488 -12.344 1.00 0.00 H new ATOM 0 HB3 SER B 20 17.978 -5.181 -12.293 1.00 0.00 H new ATOM 0 HG SER B 20 18.274 -7.250 -13.751 1.00 0.00 H new ATOM 1601 N VAL B 21 16.070 -5.753 -9.624 1.00 0.00 N ATOM 1602 CA VAL B 21 15.271 -4.822 -8.778 1.00 0.00 C ATOM 1603 C VAL B 21 15.719 -4.934 -7.318 1.00 0.00 C ATOM 1604 O VAL B 21 15.932 -3.946 -6.643 1.00 0.00 O ATOM 1605 CB VAL B 21 13.787 -5.180 -8.890 1.00 0.00 C ATOM 1606 CG1 VAL B 21 12.975 -4.341 -7.897 1.00 0.00 C ATOM 1607 CG2 VAL B 21 13.308 -4.893 -10.315 1.00 0.00 C ATOM 0 H VAL B 21 15.539 -6.501 -10.069 1.00 0.00 H new ATOM 0 HA VAL B 21 15.426 -3.799 -9.121 1.00 0.00 H new ATOM 0 HB VAL B 21 13.649 -6.237 -8.661 1.00 0.00 H new ATOM 0 HG11 VAL B 21 11.919 -4.599 -7.980 1.00 0.00 H new ATOM 0 HG12 VAL B 21 13.319 -4.544 -6.883 1.00 0.00 H new ATOM 0 HG13 VAL B 21 13.108 -3.283 -8.121 1.00 0.00 H new ATOM 0 HG21 VAL B 21 12.251 -5.146 -10.402 1.00 0.00 H new ATOM 0 HG22 VAL B 21 13.448 -3.836 -10.540 1.00 0.00 H new ATOM 0 HG23 VAL B 21 13.884 -5.493 -11.020 1.00 0.00 H new ATOM 1617 N ALA B 22 15.860 -6.133 -6.826 1.00 0.00 N ATOM 1618 CA ALA B 22 16.288 -6.316 -5.409 1.00 0.00 C ATOM 1619 C ALA B 22 17.713 -5.779 -5.220 1.00 0.00 C ATOM 1620 O ALA B 22 18.053 -5.234 -4.188 1.00 0.00 O ATOM 1621 CB ALA B 22 16.248 -7.805 -5.057 1.00 0.00 C ATOM 0 H ALA B 22 15.697 -6.996 -7.344 1.00 0.00 H new ATOM 0 HA ALA B 22 15.612 -5.767 -4.754 1.00 0.00 H new ATOM 0 HB1 ALA B 22 16.560 -7.943 -4.022 1.00 0.00 H new ATOM 0 HB2 ALA B 22 15.233 -8.181 -5.183 1.00 0.00 H new ATOM 0 HB3 ALA B 22 16.922 -8.353 -5.715 1.00 0.00 H new ATOM 1627 N GLU B 23 18.549 -5.938 -6.209 1.00 0.00 N ATOM 1628 CA GLU B 23 19.957 -5.453 -6.100 1.00 0.00 C ATOM 1629 C GLU B 23 19.984 -3.926 -5.958 1.00 0.00 C ATOM 1630 O GLU B 23 20.576 -3.384 -5.042 1.00 0.00 O ATOM 1631 CB GLU B 23 20.706 -5.850 -7.376 1.00 0.00 C ATOM 1632 CG GLU B 23 22.197 -5.525 -7.239 1.00 0.00 C ATOM 1633 CD GLU B 23 22.840 -6.500 -6.253 1.00 0.00 C ATOM 1634 OE1 GLU B 23 22.163 -7.425 -5.839 1.00 0.00 O ATOM 1635 OE2 GLU B 23 24.001 -6.305 -5.929 1.00 0.00 O ATOM 0 H GLU B 23 18.317 -6.386 -7.095 1.00 0.00 H new ATOM 0 HA GLU B 23 20.428 -5.897 -5.223 1.00 0.00 H new ATOM 0 HB2 GLU B 23 20.575 -6.915 -7.567 1.00 0.00 H new ATOM 0 HB3 GLU B 23 20.288 -5.319 -8.231 1.00 0.00 H new ATOM 0 HG2 GLU B 23 22.687 -5.596 -8.210 1.00 0.00 H new ATOM 0 HG3 GLU B 23 22.327 -4.500 -6.891 1.00 0.00 H new ATOM 1642 N GLU B 24 19.361 -3.228 -6.866 1.00 0.00 N ATOM 1643 CA GLU B 24 19.356 -1.735 -6.804 1.00 0.00 C ATOM 1644 C GLU B 24 18.582 -1.290 -5.562 1.00 0.00 C ATOM 1645 O GLU B 24 18.963 -0.367 -4.869 1.00 0.00 O ATOM 1646 CB GLU B 24 18.667 -1.166 -8.053 1.00 0.00 C ATOM 1647 CG GLU B 24 19.247 -1.795 -9.331 1.00 0.00 C ATOM 1648 CD GLU B 24 20.558 -1.104 -9.728 1.00 0.00 C ATOM 1649 OE1 GLU B 24 20.877 -0.087 -9.136 1.00 0.00 O ATOM 1650 OE2 GLU B 24 21.221 -1.609 -10.620 1.00 0.00 O ATOM 0 H GLU B 24 18.851 -3.628 -7.654 1.00 0.00 H new ATOM 0 HA GLU B 24 20.382 -1.371 -6.758 1.00 0.00 H new ATOM 0 HB2 GLU B 24 17.595 -1.358 -8.002 1.00 0.00 H new ATOM 0 HB3 GLU B 24 18.796 -0.084 -8.084 1.00 0.00 H new ATOM 0 HG2 GLU B 24 19.425 -2.858 -9.171 1.00 0.00 H new ATOM 0 HG3 GLU B 24 18.525 -1.711 -10.144 1.00 0.00 H new ATOM 1657 N MET B 25 17.493 -1.950 -5.282 1.00 0.00 N ATOM 1658 CA MET B 25 16.669 -1.592 -4.093 1.00 0.00 C ATOM 1659 C MET B 25 17.488 -1.808 -2.818 1.00 0.00 C ATOM 1660 O MET B 25 17.410 -1.038 -1.878 1.00 0.00 O ATOM 1661 CB MET B 25 15.430 -2.495 -4.066 1.00 0.00 C ATOM 1662 CG MET B 25 14.395 -1.986 -5.072 1.00 0.00 C ATOM 1663 SD MET B 25 13.572 -0.516 -4.407 1.00 0.00 S ATOM 1664 CE MET B 25 12.357 -1.370 -3.361 1.00 0.00 C ATOM 0 H MET B 25 17.135 -2.731 -5.832 1.00 0.00 H new ATOM 0 HA MET B 25 16.367 -0.546 -4.150 1.00 0.00 H new ATOM 0 HB2 MET B 25 15.711 -3.520 -4.307 1.00 0.00 H new ATOM 0 HB3 MET B 25 15.001 -2.509 -3.064 1.00 0.00 H new ATOM 0 HG2 MET B 25 14.880 -1.747 -6.018 1.00 0.00 H new ATOM 0 HG3 MET B 25 13.660 -2.764 -5.278 1.00 0.00 H new ATOM 0 HE1 MET B 25 12.263 -0.846 -2.410 1.00 0.00 H new ATOM 0 HE2 MET B 25 11.390 -1.384 -3.864 1.00 0.00 H new ATOM 0 HE3 MET B 25 12.687 -2.393 -3.181 1.00 0.00 H new ATOM 1674 N GLY B 26 18.270 -2.854 -2.773 1.00 0.00 N ATOM 1675 CA GLY B 26 19.090 -3.127 -1.556 1.00 0.00 C ATOM 1676 C GLY B 26 18.313 -4.045 -0.611 1.00 0.00 C ATOM 1677 O GLY B 26 18.436 -3.958 0.596 1.00 0.00 O ATOM 0 H GLY B 26 18.377 -3.532 -3.527 1.00 0.00 H new ATOM 0 HA2 GLY B 26 20.034 -3.593 -1.838 1.00 0.00 H new ATOM 0 HA3 GLY B 26 19.334 -2.192 -1.052 1.00 0.00 H new ATOM 1681 N ILE B 27 17.513 -4.931 -1.158 1.00 0.00 N ATOM 1682 CA ILE B 27 16.713 -5.874 -0.312 1.00 0.00 C ATOM 1683 C ILE B 27 17.005 -7.319 -0.726 1.00 0.00 C ATOM 1684 O ILE B 27 17.536 -7.582 -1.787 1.00 0.00 O ATOM 1685 CB ILE B 27 15.217 -5.583 -0.476 1.00 0.00 C ATOM 1686 CG1 ILE B 27 14.818 -5.682 -1.951 1.00 0.00 C ATOM 1687 CG2 ILE B 27 14.904 -4.180 0.043 1.00 0.00 C ATOM 1688 CD1 ILE B 27 13.302 -5.516 -2.077 1.00 0.00 C ATOM 0 H ILE B 27 17.379 -5.042 -2.163 1.00 0.00 H new ATOM 0 HA ILE B 27 16.992 -5.736 0.733 1.00 0.00 H new ATOM 0 HB ILE B 27 14.651 -6.318 0.096 1.00 0.00 H new ATOM 0 HG12 ILE B 27 15.329 -4.913 -2.530 1.00 0.00 H new ATOM 0 HG13 ILE B 27 15.125 -6.645 -2.359 1.00 0.00 H new ATOM 0 HG21 ILE B 27 13.840 -3.977 -0.076 1.00 0.00 H new ATOM 0 HG22 ILE B 27 15.171 -4.114 1.098 1.00 0.00 H new ATOM 0 HG23 ILE B 27 15.478 -3.446 -0.523 1.00 0.00 H new ATOM 0 HD11 ILE B 27 13.014 -5.586 -3.126 1.00 0.00 H new ATOM 0 HD12 ILE B 27 12.802 -6.301 -1.510 1.00 0.00 H new ATOM 0 HD13 ILE B 27 13.009 -4.542 -1.684 1.00 0.00 H new ATOM 1700 N SER B 28 16.669 -8.252 0.121 1.00 0.00 N ATOM 1701 CA SER B 28 16.926 -9.684 -0.188 1.00 0.00 C ATOM 1702 C SER B 28 16.084 -10.128 -1.385 1.00 0.00 C ATOM 1703 O SER B 28 14.982 -9.660 -1.599 1.00 0.00 O ATOM 1704 CB SER B 28 16.553 -10.533 1.027 1.00 0.00 C ATOM 1705 OG SER B 28 16.692 -11.908 0.695 1.00 0.00 O ATOM 0 H SER B 28 16.223 -8.080 1.022 1.00 0.00 H new ATOM 0 HA SER B 28 17.982 -9.812 -0.428 1.00 0.00 H new ATOM 0 HB2 SER B 28 17.195 -10.283 1.871 1.00 0.00 H new ATOM 0 HB3 SER B 28 15.528 -10.322 1.333 1.00 0.00 H new ATOM 0 HG SER B 28 16.456 -12.457 1.471 1.00 0.00 H new ATOM 1711 N ARG B 29 16.598 -11.044 -2.156 1.00 0.00 N ATOM 1712 CA ARG B 29 15.842 -11.551 -3.336 1.00 0.00 C ATOM 1713 C ARG B 29 14.544 -12.197 -2.855 1.00 0.00 C ATOM 1714 O ARG B 29 13.496 -12.027 -3.448 1.00 0.00 O ATOM 1715 CB ARG B 29 16.709 -12.562 -4.099 1.00 0.00 C ATOM 1716 CG ARG B 29 15.918 -13.167 -5.266 1.00 0.00 C ATOM 1717 CD ARG B 29 16.888 -13.761 -6.296 1.00 0.00 C ATOM 1718 NE ARG B 29 17.798 -14.743 -5.636 1.00 0.00 N ATOM 1719 CZ ARG B 29 17.438 -15.990 -5.497 1.00 0.00 C ATOM 1720 NH1 ARG B 29 16.255 -16.375 -5.890 1.00 0.00 N ATOM 1721 NH2 ARG B 29 18.259 -16.850 -4.959 1.00 0.00 N ATOM 0 H ARG B 29 17.516 -11.467 -2.019 1.00 0.00 H new ATOM 0 HA ARG B 29 15.596 -10.731 -4.010 1.00 0.00 H new ATOM 0 HB2 ARG B 29 17.607 -12.071 -4.475 1.00 0.00 H new ATOM 0 HB3 ARG B 29 17.037 -13.353 -3.424 1.00 0.00 H new ATOM 0 HG2 ARG B 29 15.244 -13.941 -4.899 1.00 0.00 H new ATOM 0 HG3 ARG B 29 15.299 -12.401 -5.734 1.00 0.00 H new ATOM 0 HD2 ARG B 29 16.329 -14.250 -7.094 1.00 0.00 H new ATOM 0 HD3 ARG B 29 17.472 -12.965 -6.758 1.00 0.00 H new ATOM 0 HE ARG B 29 18.708 -14.437 -5.291 1.00 0.00 H new ATOM 0 HH11 ARG B 29 15.612 -15.702 -6.306 1.00 0.00 H new ATOM 0 HH12 ARG B 29 15.974 -17.349 -5.781 1.00 0.00 H new ATOM 0 HH21 ARG B 29 19.182 -16.548 -4.647 1.00 0.00 H new ATOM 0 HH22 ARG B 29 17.978 -17.824 -4.850 1.00 0.00 H new ATOM 1735 N GLN B 30 14.601 -12.929 -1.778 1.00 0.00 N ATOM 1736 CA GLN B 30 13.366 -13.576 -1.252 1.00 0.00 C ATOM 1737 C GLN B 30 12.344 -12.503 -0.863 1.00 0.00 C ATOM 1738 O GLN B 30 11.156 -12.666 -1.056 1.00 0.00 O ATOM 1739 CB GLN B 30 13.716 -14.412 -0.022 1.00 0.00 C ATOM 1740 CG GLN B 30 14.567 -15.603 -0.452 1.00 0.00 C ATOM 1741 CD GLN B 30 14.961 -16.417 0.779 1.00 0.00 C ATOM 1742 OE1 GLN B 30 15.692 -15.946 1.627 1.00 0.00 O ATOM 1743 NE2 GLN B 30 14.496 -17.628 0.916 1.00 0.00 N ATOM 0 H GLN B 30 15.448 -13.108 -1.239 1.00 0.00 H new ATOM 0 HA GLN B 30 12.939 -14.217 -2.023 1.00 0.00 H new ATOM 0 HB2 GLN B 30 14.258 -13.805 0.703 1.00 0.00 H new ATOM 0 HB3 GLN B 30 12.806 -14.758 0.469 1.00 0.00 H new ATOM 0 HG2 GLN B 30 14.011 -16.227 -1.152 1.00 0.00 H new ATOM 0 HG3 GLN B 30 15.459 -15.257 -0.973 1.00 0.00 H new ATOM 0 HE21 GLN B 30 13.882 -18.022 0.203 1.00 0.00 H new ATOM 0 HE22 GLN B 30 14.746 -18.181 1.736 1.00 0.00 H new ATOM 1752 N GLN B 31 12.795 -11.407 -0.315 1.00 0.00 N ATOM 1753 CA GLN B 31 11.842 -10.330 0.085 1.00 0.00 C ATOM 1754 C GLN B 31 11.109 -9.827 -1.157 1.00 0.00 C ATOM 1755 O GLN B 31 9.915 -9.597 -1.136 1.00 0.00 O ATOM 1756 CB GLN B 31 12.620 -9.179 0.731 1.00 0.00 C ATOM 1757 CG GLN B 31 11.645 -8.160 1.319 1.00 0.00 C ATOM 1758 CD GLN B 31 12.432 -7.112 2.107 1.00 0.00 C ATOM 1759 OE1 GLN B 31 13.592 -7.310 2.410 1.00 0.00 O ATOM 1760 NE2 GLN B 31 11.847 -6.002 2.464 1.00 0.00 N ATOM 0 H GLN B 31 13.778 -11.210 -0.127 1.00 0.00 H new ATOM 0 HA GLN B 31 11.119 -10.720 0.801 1.00 0.00 H new ATOM 0 HB2 GLN B 31 13.274 -9.564 1.514 1.00 0.00 H new ATOM 0 HB3 GLN B 31 13.259 -8.699 -0.010 1.00 0.00 H new ATOM 0 HG2 GLN B 31 11.075 -7.682 0.522 1.00 0.00 H new ATOM 0 HG3 GLN B 31 10.927 -8.659 1.970 1.00 0.00 H new ATOM 0 HE21 GLN B 31 10.873 -5.834 2.210 1.00 0.00 H new ATOM 0 HE22 GLN B 31 12.363 -5.302 2.997 1.00 0.00 H new ATOM 1769 N LEU B 32 11.808 -9.666 -2.241 1.00 0.00 N ATOM 1770 CA LEU B 32 11.146 -9.193 -3.485 1.00 0.00 C ATOM 1771 C LEU B 32 10.130 -10.245 -3.941 1.00 0.00 C ATOM 1772 O LEU B 32 9.046 -9.927 -4.390 1.00 0.00 O ATOM 1773 CB LEU B 32 12.200 -8.977 -4.573 1.00 0.00 C ATOM 1774 CG LEU B 32 11.544 -8.440 -5.853 1.00 0.00 C ATOM 1775 CD1 LEU B 32 10.849 -7.095 -5.573 1.00 0.00 C ATOM 1776 CD2 LEU B 32 12.629 -8.246 -6.918 1.00 0.00 C ATOM 0 H LEU B 32 12.810 -9.841 -2.320 1.00 0.00 H new ATOM 0 HA LEU B 32 10.632 -8.250 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU B 32 12.956 -8.275 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU B 32 12.711 -9.916 -4.785 1.00 0.00 H new ATOM 0 HG LEU B 32 10.796 -9.151 -6.204 1.00 0.00 H new ATOM 0 HD11 LEU B 32 10.388 -6.726 -6.489 1.00 0.00 H new ATOM 0 HD12 LEU B 32 10.082 -7.234 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU B 32 11.584 -6.372 -5.220 1.00 0.00 H new ATOM 0 HD21 LEU B 32 12.176 -7.865 -7.833 1.00 0.00 H new ATOM 0 HD22 LEU B 32 13.371 -7.534 -6.556 1.00 0.00 H new ATOM 0 HD23 LEU B 32 13.112 -9.201 -7.123 1.00 0.00 H new ATOM 1788 N CYS B 33 10.476 -11.499 -3.828 1.00 0.00 N ATOM 1789 CA CYS B 33 9.538 -12.578 -4.253 1.00 0.00 C ATOM 1790 C CYS B 33 8.235 -12.461 -3.459 1.00 0.00 C ATOM 1791 O CYS B 33 7.165 -12.756 -3.952 1.00 0.00 O ATOM 1792 CB CYS B 33 10.179 -13.943 -3.990 1.00 0.00 C ATOM 1793 SG CYS B 33 11.651 -14.119 -5.029 1.00 0.00 S ATOM 0 H CYS B 33 11.370 -11.824 -3.459 1.00 0.00 H new ATOM 0 HA CYS B 33 9.324 -12.478 -5.317 1.00 0.00 H new ATOM 0 HB2 CYS B 33 10.449 -14.035 -2.938 1.00 0.00 H new ATOM 0 HB3 CYS B 33 9.468 -14.740 -4.208 1.00 0.00 H new ATOM 0 HG CYS B 33 12.592 -13.339 -4.585 1.00 0.00 H new ATOM 1799 N ASN B 34 8.310 -12.030 -2.234 1.00 0.00 N ATOM 1800 CA ASN B 34 7.071 -11.893 -1.421 1.00 0.00 C ATOM 1801 C ASN B 34 6.157 -10.852 -2.075 1.00 0.00 C ATOM 1802 O ASN B 34 4.951 -11.002 -2.114 1.00 0.00 O ATOM 1803 CB ASN B 34 7.436 -11.426 -0.010 1.00 0.00 C ATOM 1804 CG ASN B 34 8.240 -12.516 0.699 1.00 0.00 C ATOM 1805 OD1 ASN B 34 9.450 -12.444 0.772 1.00 0.00 O ATOM 1806 ND2 ASN B 34 7.616 -13.529 1.236 1.00 0.00 N ATOM 0 H ASN B 34 9.174 -11.767 -1.760 1.00 0.00 H new ATOM 0 HA ASN B 34 6.560 -12.854 -1.366 1.00 0.00 H new ATOM 0 HB2 ASN B 34 8.017 -10.505 -0.060 1.00 0.00 H new ATOM 0 HB3 ASN B 34 6.531 -11.202 0.555 1.00 0.00 H new ATOM 0 HD21 ASN B 34 8.145 -14.258 1.716 1.00 0.00 H new ATOM 0 HD22 ASN B 34 6.600 -13.592 1.176 1.00 0.00 H new ATOM 1813 N ILE B 35 6.725 -9.789 -2.577 1.00 0.00 N ATOM 1814 CA ILE B 35 5.892 -8.720 -3.212 1.00 0.00 C ATOM 1815 C ILE B 35 5.137 -9.268 -4.431 1.00 0.00 C ATOM 1816 O ILE B 35 3.965 -9.002 -4.613 1.00 0.00 O ATOM 1817 CB ILE B 35 6.807 -7.583 -3.682 1.00 0.00 C ATOM 1818 CG1 ILE B 35 7.433 -6.885 -2.469 1.00 0.00 C ATOM 1819 CG2 ILE B 35 5.993 -6.560 -4.484 1.00 0.00 C ATOM 1820 CD1 ILE B 35 8.542 -5.914 -2.920 1.00 0.00 C ATOM 0 H ILE B 35 7.730 -9.612 -2.576 1.00 0.00 H new ATOM 0 HA ILE B 35 5.172 -8.361 -2.476 1.00 0.00 H new ATOM 0 HB ILE B 35 7.594 -8.000 -4.311 1.00 0.00 H new ATOM 0 HG12 ILE B 35 6.666 -6.340 -1.919 1.00 0.00 H new ATOM 0 HG13 ILE B 35 7.847 -7.628 -1.787 1.00 0.00 H new ATOM 0 HG21 ILE B 35 6.647 -5.754 -4.816 1.00 0.00 H new ATOM 0 HG22 ILE B 35 5.549 -7.048 -5.352 1.00 0.00 H new ATOM 0 HG23 ILE B 35 5.203 -6.150 -3.855 1.00 0.00 H new ATOM 0 HD11 ILE B 35 8.976 -5.427 -2.047 1.00 0.00 H new ATOM 0 HD12 ILE B 35 9.317 -6.468 -3.449 1.00 0.00 H new ATOM 0 HD13 ILE B 35 8.118 -5.160 -3.583 1.00 0.00 H new ATOM 1832 N GLU B 36 5.794 -10.012 -5.279 1.00 0.00 N ATOM 1833 CA GLU B 36 5.100 -10.546 -6.490 1.00 0.00 C ATOM 1834 C GLU B 36 4.302 -11.801 -6.122 1.00 0.00 C ATOM 1835 O GLU B 36 3.476 -12.270 -6.884 1.00 0.00 O ATOM 1836 CB GLU B 36 6.141 -10.857 -7.574 1.00 0.00 C ATOM 1837 CG GLU B 36 6.912 -12.130 -7.222 1.00 0.00 C ATOM 1838 CD GLU B 36 8.163 -12.229 -8.098 1.00 0.00 C ATOM 1839 OE1 GLU B 36 8.127 -11.718 -9.205 1.00 0.00 O ATOM 1840 OE2 GLU B 36 9.134 -12.816 -7.649 1.00 0.00 O ATOM 0 H GLU B 36 6.776 -10.273 -5.188 1.00 0.00 H new ATOM 0 HA GLU B 36 4.403 -9.802 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU B 36 5.647 -10.978 -8.538 1.00 0.00 H new ATOM 0 HB3 GLU B 36 6.833 -10.021 -7.673 1.00 0.00 H new ATOM 0 HG2 GLU B 36 7.193 -12.118 -6.169 1.00 0.00 H new ATOM 0 HG3 GLU B 36 6.279 -13.005 -7.373 1.00 0.00 H new ATOM 1847 N GLN B 37 4.536 -12.339 -4.952 1.00 0.00 N ATOM 1848 CA GLN B 37 3.792 -13.558 -4.504 1.00 0.00 C ATOM 1849 C GLN B 37 2.735 -13.145 -3.477 1.00 0.00 C ATOM 1850 O GLN B 37 2.239 -13.955 -2.716 1.00 0.00 O ATOM 1851 CB GLN B 37 4.773 -14.541 -3.864 1.00 0.00 C ATOM 1852 CG GLN B 37 5.701 -15.095 -4.944 1.00 0.00 C ATOM 1853 CD GLN B 37 6.755 -16.002 -4.309 1.00 0.00 C ATOM 1854 OE1 GLN B 37 6.741 -16.230 -3.115 1.00 0.00 O ATOM 1855 NE2 GLN B 37 7.674 -16.534 -5.066 1.00 0.00 N ATOM 0 H GLN B 37 5.217 -11.983 -4.281 1.00 0.00 H new ATOM 0 HA GLN B 37 3.308 -14.034 -5.357 1.00 0.00 H new ATOM 0 HB2 GLN B 37 5.354 -14.041 -3.089 1.00 0.00 H new ATOM 0 HB3 GLN B 37 4.230 -15.354 -3.381 1.00 0.00 H new ATOM 0 HG2 GLN B 37 5.123 -15.654 -5.680 1.00 0.00 H new ATOM 0 HG3 GLN B 37 6.186 -14.276 -5.475 1.00 0.00 H new ATOM 0 HE21 GLN B 37 7.684 -16.342 -6.068 1.00 0.00 H new ATOM 0 HE22 GLN B 37 8.383 -17.143 -4.656 1.00 0.00 H new ATOM 1864 N SER B 38 2.395 -11.884 -3.448 1.00 0.00 N ATOM 1865 CA SER B 38 1.383 -11.397 -2.471 1.00 0.00 C ATOM 1866 C SER B 38 0.018 -12.004 -2.789 1.00 0.00 C ATOM 1867 O SER B 38 -0.240 -12.433 -3.897 1.00 0.00 O ATOM 1868 CB SER B 38 1.285 -9.874 -2.565 1.00 0.00 C ATOM 1869 OG SER B 38 0.437 -9.529 -3.652 1.00 0.00 O ATOM 0 H SER B 38 2.778 -11.167 -4.064 1.00 0.00 H new ATOM 0 HA SER B 38 1.685 -11.692 -1.466 1.00 0.00 H new ATOM 0 HB2 SER B 38 0.890 -9.464 -1.635 1.00 0.00 H new ATOM 0 HB3 SER B 38 2.275 -9.442 -2.709 1.00 0.00 H new ATOM 0 HG SER B 38 0.369 -8.554 -3.717 1.00 0.00 H new ATOM 1875 N GLU B 39 -0.858 -12.039 -1.814 1.00 0.00 N ATOM 1876 CA GLU B 39 -2.227 -12.611 -2.024 1.00 0.00 C ATOM 1877 C GLU B 39 -3.281 -11.514 -1.840 1.00 0.00 C ATOM 1878 O GLU B 39 -4.152 -11.335 -2.671 1.00 0.00 O ATOM 1879 CB GLU B 39 -2.466 -13.730 -1.008 1.00 0.00 C ATOM 1880 CG GLU B 39 -3.864 -14.314 -1.209 1.00 0.00 C ATOM 1881 CD GLU B 39 -4.014 -15.572 -0.353 1.00 0.00 C ATOM 1882 OE1 GLU B 39 -3.001 -16.092 0.081 1.00 0.00 O ATOM 1883 OE2 GLU B 39 -5.140 -15.999 -0.152 1.00 0.00 O ATOM 0 H GLU B 39 -0.681 -11.692 -0.871 1.00 0.00 H new ATOM 0 HA GLU B 39 -2.303 -13.012 -3.035 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.714 -14.510 -1.127 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -2.365 -13.342 0.006 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -4.621 -13.580 -0.932 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -4.022 -14.555 -2.260 1.00 0.00 H new ATOM 1890 N THR B 40 -3.205 -10.776 -0.757 1.00 0.00 N ATOM 1891 CA THR B 40 -4.195 -9.678 -0.500 1.00 0.00 C ATOM 1892 C THR B 40 -3.446 -8.351 -0.367 1.00 0.00 C ATOM 1893 O THR B 40 -2.473 -8.246 0.354 1.00 0.00 O ATOM 1894 CB THR B 40 -4.950 -9.966 0.799 1.00 0.00 C ATOM 1895 OG1 THR B 40 -5.644 -11.200 0.680 1.00 0.00 O ATOM 1896 CG2 THR B 40 -5.950 -8.840 1.067 1.00 0.00 C ATOM 0 H THR B 40 -2.494 -10.888 -0.034 1.00 0.00 H new ATOM 0 HA THR B 40 -4.904 -9.621 -1.326 1.00 0.00 H new ATOM 0 HB THR B 40 -4.242 -10.027 1.626 1.00 0.00 H new ATOM 0 HG1 THR B 40 -6.126 -11.386 1.513 1.00 0.00 H new ATOM 0 HG21 THR B 40 -6.489 -9.044 1.992 1.00 0.00 H new ATOM 0 HG22 THR B 40 -5.417 -7.894 1.159 1.00 0.00 H new ATOM 0 HG23 THR B 40 -6.658 -8.778 0.241 1.00 0.00 H new ATOM 1904 N ALA B 41 -3.886 -7.335 -1.066 1.00 0.00 N ATOM 1905 CA ALA B 41 -3.190 -6.017 -0.986 1.00 0.00 C ATOM 1906 C ALA B 41 -3.651 -5.266 0.279 1.00 0.00 C ATOM 1907 O ALA B 41 -4.791 -5.378 0.680 1.00 0.00 O ATOM 1908 CB ALA B 41 -3.548 -5.185 -2.224 1.00 0.00 C ATOM 0 H ALA B 41 -4.695 -7.362 -1.687 1.00 0.00 H new ATOM 0 HA ALA B 41 -2.112 -6.175 -0.943 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -3.043 -4.220 -2.173 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -3.230 -5.714 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.626 -5.029 -2.258 1.00 0.00 H new ATOM 1914 N PRO B 42 -2.779 -4.499 0.901 1.00 0.00 N ATOM 1915 CA PRO B 42 -3.130 -3.720 2.130 1.00 0.00 C ATOM 1916 C PRO B 42 -4.086 -2.550 1.836 1.00 0.00 C ATOM 1917 O PRO B 42 -4.107 -2.007 0.748 1.00 0.00 O ATOM 1918 CB PRO B 42 -1.771 -3.211 2.640 1.00 0.00 C ATOM 1919 CG PRO B 42 -0.896 -3.161 1.426 1.00 0.00 C ATOM 1920 CD PRO B 42 -1.370 -4.292 0.511 1.00 0.00 C ATOM 0 HA PRO B 42 -3.662 -4.331 2.859 1.00 0.00 H new ATOM 0 HB2 PRO B 42 -1.865 -2.227 3.100 1.00 0.00 H new ATOM 0 HB3 PRO B 42 -1.358 -3.878 3.397 1.00 0.00 H new ATOM 0 HG2 PRO B 42 -0.978 -2.196 0.926 1.00 0.00 H new ATOM 0 HG3 PRO B 42 0.152 -3.292 1.696 1.00 0.00 H new ATOM 0 HD2 PRO B 42 -1.283 -4.018 -0.540 1.00 0.00 H new ATOM 0 HD3 PRO B 42 -0.779 -5.196 0.655 1.00 0.00 H new ATOM 1928 N VAL B 43 -4.873 -2.162 2.809 1.00 0.00 N ATOM 1929 CA VAL B 43 -5.829 -1.029 2.613 1.00 0.00 C ATOM 1930 C VAL B 43 -5.062 0.277 2.390 1.00 0.00 C ATOM 1931 O VAL B 43 -5.520 1.168 1.700 1.00 0.00 O ATOM 1932 CB VAL B 43 -6.715 -0.886 3.855 1.00 0.00 C ATOM 1933 CG1 VAL B 43 -7.715 -2.041 3.909 1.00 0.00 C ATOM 1934 CG2 VAL B 43 -5.842 -0.915 5.113 1.00 0.00 C ATOM 0 H VAL B 43 -4.894 -2.585 3.737 1.00 0.00 H new ATOM 0 HA VAL B 43 -6.446 -1.236 1.739 1.00 0.00 H new ATOM 0 HB VAL B 43 -7.254 0.060 3.805 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -8.344 -1.937 4.793 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -8.339 -2.024 3.016 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -7.176 -2.987 3.957 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -6.473 -0.813 5.996 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -5.302 -1.861 5.160 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -5.129 -0.092 5.080 1.00 0.00 H new ATOM 1944 N VAL B 44 -3.903 0.399 2.978 1.00 0.00 N ATOM 1945 CA VAL B 44 -3.097 1.649 2.821 1.00 0.00 C ATOM 1946 C VAL B 44 -3.104 2.092 1.353 1.00 0.00 C ATOM 1947 O VAL B 44 -3.140 3.265 1.045 1.00 0.00 O ATOM 1948 CB VAL B 44 -1.651 1.371 3.266 1.00 0.00 C ATOM 1949 CG1 VAL B 44 -1.664 0.650 4.617 1.00 0.00 C ATOM 1950 CG2 VAL B 44 -0.946 0.488 2.224 1.00 0.00 C ATOM 0 H VAL B 44 -3.475 -0.317 3.565 1.00 0.00 H new ATOM 0 HA VAL B 44 -3.528 2.441 3.434 1.00 0.00 H new ATOM 0 HB VAL B 44 -1.116 2.316 3.359 1.00 0.00 H new ATOM 0 HG11 VAL B 44 -0.640 0.452 4.934 1.00 0.00 H new ATOM 0 HG12 VAL B 44 -2.159 1.277 5.359 1.00 0.00 H new ATOM 0 HG13 VAL B 44 -2.203 -0.293 4.521 1.00 0.00 H new ATOM 0 HG21 VAL B 44 0.078 0.294 2.544 1.00 0.00 H new ATOM 0 HG22 VAL B 44 -1.481 -0.457 2.126 1.00 0.00 H new ATOM 0 HG23 VAL B 44 -0.934 1.000 1.262 1.00 0.00 H new ATOM 1960 N VAL B 45 -3.072 1.155 0.447 1.00 0.00 N ATOM 1961 CA VAL B 45 -3.075 1.512 -0.999 1.00 0.00 C ATOM 1962 C VAL B 45 -4.374 2.241 -1.343 1.00 0.00 C ATOM 1963 O VAL B 45 -4.374 3.249 -2.021 1.00 0.00 O ATOM 1964 CB VAL B 45 -2.973 0.235 -1.835 1.00 0.00 C ATOM 1965 CG1 VAL B 45 -3.086 0.590 -3.318 1.00 0.00 C ATOM 1966 CG2 VAL B 45 -1.624 -0.439 -1.568 1.00 0.00 C ATOM 0 H VAL B 45 -3.044 0.155 0.646 1.00 0.00 H new ATOM 0 HA VAL B 45 -2.227 2.161 -1.216 1.00 0.00 H new ATOM 0 HB VAL B 45 -3.779 -0.447 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -3.014 -0.318 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -4.046 1.072 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -2.279 1.270 -3.592 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -1.548 -1.350 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -0.817 0.241 -1.841 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -1.545 -0.689 -0.510 1.00 0.00 H new ATOM 1976 N LYS B 46 -5.482 1.736 -0.879 1.00 0.00 N ATOM 1977 CA LYS B 46 -6.781 2.395 -1.177 1.00 0.00 C ATOM 1978 C LYS B 46 -6.781 3.803 -0.572 1.00 0.00 C ATOM 1979 O LYS B 46 -7.226 4.755 -1.182 1.00 0.00 O ATOM 1980 CB LYS B 46 -7.912 1.573 -0.558 1.00 0.00 C ATOM 1981 CG LYS B 46 -7.977 0.206 -1.237 1.00 0.00 C ATOM 1982 CD LYS B 46 -9.068 -0.635 -0.572 1.00 0.00 C ATOM 1983 CE LYS B 46 -9.092 -2.028 -1.200 1.00 0.00 C ATOM 1984 NZ LYS B 46 -9.636 -1.941 -2.585 1.00 0.00 N ATOM 0 H LYS B 46 -5.543 0.895 -0.306 1.00 0.00 H new ATOM 0 HA LYS B 46 -6.926 2.462 -2.255 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -7.745 1.452 0.512 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -8.862 2.095 -0.675 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -8.189 0.324 -2.300 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -7.014 -0.298 -1.159 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -8.881 -0.711 0.499 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -10.038 -0.153 -0.693 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -8.086 -2.447 -1.219 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -9.706 -2.699 -0.599 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -9.321 -2.766 -3.134 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -10.675 -1.925 -2.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -9.292 -1.071 -3.039 1.00 0.00 H new ATOM 1998 N TYR B 47 -6.282 3.937 0.626 1.00 0.00 N ATOM 1999 CA TYR B 47 -6.244 5.276 1.283 1.00 0.00 C ATOM 2000 C TYR B 47 -5.371 6.224 0.452 1.00 0.00 C ATOM 2001 O TYR B 47 -5.726 7.363 0.202 1.00 0.00 O ATOM 2002 CB TYR B 47 -5.651 5.130 2.688 1.00 0.00 C ATOM 2003 CG TYR B 47 -5.668 6.464 3.395 1.00 0.00 C ATOM 2004 CD1 TYR B 47 -6.865 6.952 3.933 1.00 0.00 C ATOM 2005 CD2 TYR B 47 -4.490 7.209 3.523 1.00 0.00 C ATOM 2006 CE1 TYR B 47 -6.883 8.186 4.596 1.00 0.00 C ATOM 2007 CE2 TYR B 47 -4.511 8.442 4.186 1.00 0.00 C ATOM 2008 CZ TYR B 47 -5.706 8.929 4.722 1.00 0.00 C ATOM 2009 OH TYR B 47 -5.723 10.143 5.374 1.00 0.00 O ATOM 0 H TYR B 47 -5.897 3.173 1.182 1.00 0.00 H new ATOM 0 HA TYR B 47 -7.253 5.682 1.354 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -6.223 4.399 3.259 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -4.629 4.756 2.624 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -7.774 6.377 3.837 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -3.565 6.833 3.111 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -7.807 8.563 5.010 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -3.602 9.017 4.283 1.00 0.00 H new ATOM 0 HH TYR B 47 -4.822 10.527 5.373 1.00 0.00 H new ATOM 2019 N ILE B 48 -4.232 5.760 0.017 1.00 0.00 N ATOM 2020 CA ILE B 48 -3.333 6.625 -0.798 1.00 0.00 C ATOM 2021 C ILE B 48 -4.043 7.009 -2.096 1.00 0.00 C ATOM 2022 O ILE B 48 -4.000 8.144 -2.529 1.00 0.00 O ATOM 2023 CB ILE B 48 -2.053 5.853 -1.134 1.00 0.00 C ATOM 2024 CG1 ILE B 48 -1.244 5.624 0.144 1.00 0.00 C ATOM 2025 CG2 ILE B 48 -1.211 6.658 -2.129 1.00 0.00 C ATOM 2026 CD1 ILE B 48 -0.126 4.616 -0.135 1.00 0.00 C ATOM 0 H ILE B 48 -3.884 4.817 0.191 1.00 0.00 H new ATOM 0 HA ILE B 48 -3.082 7.524 -0.235 1.00 0.00 H new ATOM 0 HB ILE B 48 -2.318 4.893 -1.576 1.00 0.00 H new ATOM 0 HG12 ILE B 48 -0.821 6.566 0.493 1.00 0.00 H new ATOM 0 HG13 ILE B 48 -1.893 5.253 0.937 1.00 0.00 H new ATOM 0 HG21 ILE B 48 -0.301 6.106 -2.366 1.00 0.00 H new ATOM 0 HG22 ILE B 48 -1.784 6.822 -3.042 1.00 0.00 H new ATOM 0 HG23 ILE B 48 -0.948 7.620 -1.688 1.00 0.00 H new ATOM 0 HD11 ILE B 48 0.451 4.452 0.775 1.00 0.00 H new ATOM 0 HD12 ILE B 48 -0.561 3.672 -0.464 1.00 0.00 H new ATOM 0 HD13 ILE B 48 0.529 5.005 -0.915 1.00 0.00 H new ATOM 2038 N ALA B 49 -4.697 6.071 -2.720 1.00 0.00 N ATOM 2039 CA ALA B 49 -5.407 6.384 -3.989 1.00 0.00 C ATOM 2040 C ALA B 49 -6.396 7.522 -3.740 1.00 0.00 C ATOM 2041 O ALA B 49 -6.594 8.382 -4.576 1.00 0.00 O ATOM 2042 CB ALA B 49 -6.162 5.141 -4.471 1.00 0.00 C ATOM 0 H ALA B 49 -4.770 5.103 -2.407 1.00 0.00 H new ATOM 0 HA ALA B 49 -4.688 6.685 -4.751 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -6.683 5.369 -5.401 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -5.455 4.329 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -6.886 4.839 -3.714 1.00 0.00 H new ATOM 2048 N PHE B 50 -7.017 7.540 -2.593 1.00 0.00 N ATOM 2049 CA PHE B 50 -7.984 8.629 -2.299 1.00 0.00 C ATOM 2050 C PHE B 50 -7.237 9.965 -2.348 1.00 0.00 C ATOM 2051 O PHE B 50 -7.693 10.925 -2.938 1.00 0.00 O ATOM 2052 CB PHE B 50 -8.584 8.420 -0.906 1.00 0.00 C ATOM 2053 CG PHE B 50 -9.783 9.320 -0.738 1.00 0.00 C ATOM 2054 CD1 PHE B 50 -10.994 8.976 -1.345 1.00 0.00 C ATOM 2055 CD2 PHE B 50 -9.689 10.492 0.023 1.00 0.00 C ATOM 2056 CE1 PHE B 50 -12.113 9.802 -1.197 1.00 0.00 C ATOM 2057 CE2 PHE B 50 -10.809 11.320 0.171 1.00 0.00 C ATOM 2058 CZ PHE B 50 -12.022 10.973 -0.438 1.00 0.00 C ATOM 0 H PHE B 50 -6.896 6.850 -1.851 1.00 0.00 H new ATOM 0 HA PHE B 50 -8.790 8.626 -3.033 1.00 0.00 H new ATOM 0 HB2 PHE B 50 -8.876 7.378 -0.776 1.00 0.00 H new ATOM 0 HB3 PHE B 50 -7.840 8.640 -0.140 1.00 0.00 H new ATOM 0 HD1 PHE B 50 -11.066 8.071 -1.929 1.00 0.00 H new ATOM 0 HD2 PHE B 50 -8.754 10.757 0.495 1.00 0.00 H new ATOM 0 HE1 PHE B 50 -13.047 9.535 -1.669 1.00 0.00 H new ATOM 0 HE2 PHE B 50 -10.737 12.226 0.755 1.00 0.00 H new ATOM 0 HZ PHE B 50 -12.887 11.610 -0.321 1.00 0.00 H new ATOM 2068 N LEU B 51 -6.081 10.030 -1.740 1.00 0.00 N ATOM 2069 CA LEU B 51 -5.297 11.300 -1.760 1.00 0.00 C ATOM 2070 C LEU B 51 -4.909 11.633 -3.204 1.00 0.00 C ATOM 2071 O LEU B 51 -4.952 12.772 -3.625 1.00 0.00 O ATOM 2072 CB LEU B 51 -4.020 11.131 -0.934 1.00 0.00 C ATOM 2073 CG LEU B 51 -4.365 10.578 0.452 1.00 0.00 C ATOM 2074 CD1 LEU B 51 -3.083 10.460 1.286 1.00 0.00 C ATOM 2075 CD2 LEU B 51 -5.357 11.515 1.156 1.00 0.00 C ATOM 0 H LEU B 51 -5.647 9.260 -1.231 1.00 0.00 H new ATOM 0 HA LEU B 51 -5.904 12.102 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -3.333 10.455 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -3.510 12.089 -0.836 1.00 0.00 H new ATOM 0 HG LEU B 51 -4.822 9.594 0.345 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -3.326 10.067 2.273 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -2.386 9.786 0.788 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -2.625 11.444 1.390 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -5.598 11.116 2.141 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -4.910 12.503 1.264 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -6.268 11.592 0.563 1.00 0.00 H new ATOM 2087 N ARG B 52 -4.525 10.643 -3.963 1.00 0.00 N ATOM 2088 CA ARG B 52 -4.126 10.891 -5.379 1.00 0.00 C ATOM 2089 C ARG B 52 -5.329 11.417 -6.163 1.00 0.00 C ATOM 2090 O ARG B 52 -5.200 12.263 -7.027 1.00 0.00 O ATOM 2091 CB ARG B 52 -3.639 9.577 -6.009 1.00 0.00 C ATOM 2092 CG ARG B 52 -2.293 9.155 -5.397 1.00 0.00 C ATOM 2093 CD ARG B 52 -1.136 9.895 -6.085 1.00 0.00 C ATOM 2094 NE ARG B 52 -1.165 9.612 -7.553 1.00 0.00 N ATOM 2095 CZ ARG B 52 -0.473 8.622 -8.065 1.00 0.00 C ATOM 2096 NH1 ARG B 52 0.277 7.867 -7.306 1.00 0.00 N ATOM 2097 NH2 ARG B 52 -0.535 8.390 -9.346 1.00 0.00 N ATOM 0 H ARG B 52 -4.470 9.670 -3.663 1.00 0.00 H new ATOM 0 HA ARG B 52 -3.324 11.628 -5.408 1.00 0.00 H new ATOM 0 HB2 ARG B 52 -4.380 8.793 -5.849 1.00 0.00 H new ATOM 0 HB3 ARG B 52 -3.533 9.701 -7.087 1.00 0.00 H new ATOM 0 HG2 ARG B 52 -2.288 9.372 -4.329 1.00 0.00 H new ATOM 0 HG3 ARG B 52 -2.159 8.079 -5.504 1.00 0.00 H new ATOM 0 HD2 ARG B 52 -1.220 10.967 -5.909 1.00 0.00 H new ATOM 0 HD3 ARG B 52 -0.184 9.576 -5.661 1.00 0.00 H new ATOM 0 HE ARG B 52 -1.732 10.198 -8.166 1.00 0.00 H new ATOM 0 HH11 ARG B 52 0.329 8.044 -6.303 1.00 0.00 H new ATOM 0 HH12 ARG B 52 0.810 7.100 -7.717 1.00 0.00 H new ATOM 0 HH21 ARG B 52 -1.119 8.976 -9.943 1.00 0.00 H new ATOM 0 HH22 ARG B 52 0.000 7.622 -9.752 1.00 0.00 H new ATOM 2111 N SER B 53 -6.498 10.924 -5.867 1.00 0.00 N ATOM 2112 CA SER B 53 -7.711 11.392 -6.593 1.00 0.00 C ATOM 2113 C SER B 53 -7.835 12.909 -6.447 1.00 0.00 C ATOM 2114 O SER B 53 -8.279 13.597 -7.346 1.00 0.00 O ATOM 2115 CB SER B 53 -8.949 10.715 -6.001 1.00 0.00 C ATOM 2116 OG SER B 53 -8.850 9.311 -6.195 1.00 0.00 O ATOM 0 H SER B 53 -6.667 10.216 -5.152 1.00 0.00 H new ATOM 0 HA SER B 53 -7.629 11.136 -7.649 1.00 0.00 H new ATOM 0 HB2 SER B 53 -9.030 10.943 -4.938 1.00 0.00 H new ATOM 0 HB3 SER B 53 -9.851 11.098 -6.478 1.00 0.00 H new ATOM 0 HG SER B 53 -8.122 8.955 -5.644 1.00 0.00 H new ATOM 2122 N LYS B 54 -7.444 13.438 -5.319 1.00 0.00 N ATOM 2123 CA LYS B 54 -7.535 14.911 -5.111 1.00 0.00 C ATOM 2124 C LYS B 54 -6.252 15.580 -5.616 1.00 0.00 C ATOM 2125 O LYS B 54 -6.107 16.786 -5.564 1.00 0.00 O ATOM 2126 CB LYS B 54 -7.718 15.197 -3.619 1.00 0.00 C ATOM 2127 CG LYS B 54 -9.083 14.671 -3.170 1.00 0.00 C ATOM 2128 CD LYS B 54 -9.262 14.914 -1.670 1.00 0.00 C ATOM 2129 CE LYS B 54 -10.635 14.398 -1.235 1.00 0.00 C ATOM 2130 NZ LYS B 54 -10.809 14.611 0.230 1.00 0.00 N ATOM 0 H LYS B 54 -7.065 12.912 -4.531 1.00 0.00 H new ATOM 0 HA LYS B 54 -8.386 15.310 -5.664 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -6.924 14.719 -3.045 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -7.648 16.268 -3.430 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -9.877 15.170 -3.726 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -9.162 13.606 -3.388 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -8.476 14.406 -1.111 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -9.174 15.978 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -11.420 14.918 -1.784 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -10.728 13.338 -1.472 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -11.590 14.019 0.577 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -9.932 14.351 0.725 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -11.026 15.612 0.412 1.00 0.00 H new ATOM 2144 N GLY B 55 -5.326 14.809 -6.120 1.00 0.00 N ATOM 2145 CA GLY B 55 -4.064 15.408 -6.646 1.00 0.00 C ATOM 2146 C GLY B 55 -3.167 15.858 -5.489 1.00 0.00 C ATOM 2147 O GLY B 55 -2.346 16.744 -5.636 1.00 0.00 O ATOM 0 H GLY B 55 -5.388 13.793 -6.190 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -3.537 14.679 -7.262 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -4.297 16.258 -7.287 1.00 0.00 H new ATOM 2151 N VAL B 56 -3.312 15.259 -4.341 1.00 0.00 N ATOM 2152 CA VAL B 56 -2.466 15.654 -3.178 1.00 0.00 C ATOM 2153 C VAL B 56 -0.985 15.566 -3.564 1.00 0.00 C ATOM 2154 O VAL B 56 -0.578 14.704 -4.317 1.00 0.00 O ATOM 2155 CB VAL B 56 -2.754 14.714 -1.996 1.00 0.00 C ATOM 2156 CG1 VAL B 56 -1.678 14.881 -0.916 1.00 0.00 C ATOM 2157 CG2 VAL B 56 -4.123 15.056 -1.401 1.00 0.00 C ATOM 0 H VAL B 56 -3.981 14.511 -4.156 1.00 0.00 H new ATOM 0 HA VAL B 56 -2.698 16.679 -2.889 1.00 0.00 H new ATOM 0 HB VAL B 56 -2.748 13.683 -2.350 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -1.891 14.211 -0.083 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -0.701 14.640 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -1.676 15.912 -0.561 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -4.331 14.392 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -4.121 16.089 -1.054 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -4.892 14.931 -2.163 1.00 0.00 H new ATOM 2167 N ASP B 57 -0.178 16.459 -3.044 1.00 0.00 N ATOM 2168 CA ASP B 57 1.280 16.432 -3.366 1.00 0.00 C ATOM 2169 C ASP B 57 1.882 15.137 -2.802 1.00 0.00 C ATOM 2170 O ASP B 57 2.637 15.145 -1.848 1.00 0.00 O ATOM 2171 CB ASP B 57 1.974 17.674 -2.740 1.00 0.00 C ATOM 2172 CG ASP B 57 2.226 18.775 -3.788 1.00 0.00 C ATOM 2173 OD1 ASP B 57 1.982 18.540 -4.960 1.00 0.00 O ATOM 2174 OD2 ASP B 57 2.667 19.840 -3.392 1.00 0.00 O ATOM 0 H ASP B 57 -0.468 17.204 -2.411 1.00 0.00 H new ATOM 0 HA ASP B 57 1.431 16.461 -4.445 1.00 0.00 H new ATOM 0 HB2 ASP B 57 1.353 18.071 -1.937 1.00 0.00 H new ATOM 0 HB3 ASP B 57 2.921 17.374 -2.292 1.00 0.00 H new ATOM 2179 N LEU B 58 1.550 14.022 -3.390 1.00 0.00 N ATOM 2180 CA LEU B 58 2.095 12.723 -2.907 1.00 0.00 C ATOM 2181 C LEU B 58 3.412 12.441 -3.632 1.00 0.00 C ATOM 2182 O LEU B 58 4.147 11.535 -3.288 1.00 0.00 O ATOM 2183 CB LEU B 58 1.086 11.612 -3.226 1.00 0.00 C ATOM 2184 CG LEU B 58 1.363 10.371 -2.357 1.00 0.00 C ATOM 2185 CD1 LEU B 58 0.655 10.510 -1.001 1.00 0.00 C ATOM 2186 CD2 LEU B 58 0.843 9.118 -3.075 1.00 0.00 C ATOM 0 H LEU B 58 0.920 13.954 -4.190 1.00 0.00 H new ATOM 0 HA LEU B 58 2.269 12.762 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU B 58 0.072 11.970 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU B 58 1.149 11.347 -4.281 1.00 0.00 H new ATOM 0 HG LEU B 58 2.437 10.283 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU B 58 0.856 9.628 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU B 58 1.025 11.397 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -0.419 10.604 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU B 58 1.039 8.239 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -0.230 9.213 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU B 58 1.351 9.011 -4.034 1.00 0.00 H new ATOM 2198 N ASN B 59 3.700 13.206 -4.643 1.00 0.00 N ATOM 2199 CA ASN B 59 4.953 12.987 -5.415 1.00 0.00 C ATOM 2200 C ASN B 59 6.150 13.201 -4.488 1.00 0.00 C ATOM 2201 O ASN B 59 7.118 12.464 -4.514 1.00 0.00 O ATOM 2202 CB ASN B 59 5.026 14.015 -6.548 1.00 0.00 C ATOM 2203 CG ASN B 59 3.689 14.065 -7.287 1.00 0.00 C ATOM 2204 OD1 ASN B 59 3.084 13.044 -7.551 1.00 0.00 O ATOM 2205 ND2 ASN B 59 3.196 15.225 -7.626 1.00 0.00 N ATOM 0 H ASN B 59 3.119 13.978 -4.971 1.00 0.00 H new ATOM 0 HA ASN B 59 4.965 11.976 -5.822 1.00 0.00 H new ATOM 0 HB2 ASN B 59 5.266 14.999 -6.144 1.00 0.00 H new ATOM 0 HB3 ASN B 59 5.825 13.751 -7.240 1.00 0.00 H new ATOM 0 HD21 ASN B 59 2.301 15.276 -8.113 1.00 0.00 H new ATOM 0 HD22 ASN B 59 3.705 16.080 -7.403 1.00 0.00 H new ATOM 2212 N ALA B 60 6.086 14.219 -3.675 1.00 0.00 N ATOM 2213 CA ALA B 60 7.210 14.516 -2.743 1.00 0.00 C ATOM 2214 C ALA B 60 7.341 13.407 -1.694 1.00 0.00 C ATOM 2215 O ALA B 60 8.433 12.989 -1.346 1.00 0.00 O ATOM 2216 CB ALA B 60 6.932 15.849 -2.043 1.00 0.00 C ATOM 0 H ALA B 60 5.297 14.863 -3.616 1.00 0.00 H new ATOM 0 HA ALA B 60 8.140 14.573 -3.308 1.00 0.00 H new ATOM 0 HB1 ALA B 60 7.748 16.077 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA B 60 6.851 16.641 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA B 60 5.998 15.779 -1.485 1.00 0.00 H new ATOM 2222 N LEU B 61 6.242 12.930 -1.181 1.00 0.00 N ATOM 2223 CA LEU B 61 6.313 11.859 -0.150 1.00 0.00 C ATOM 2224 C LEU B 61 6.989 10.619 -0.749 1.00 0.00 C ATOM 2225 O LEU B 61 7.839 10.006 -0.133 1.00 0.00 O ATOM 2226 CB LEU B 61 4.888 11.500 0.302 1.00 0.00 C ATOM 2227 CG LEU B 61 4.392 12.506 1.347 1.00 0.00 C ATOM 2228 CD1 LEU B 61 4.292 13.901 0.726 1.00 0.00 C ATOM 2229 CD2 LEU B 61 3.010 12.073 1.840 1.00 0.00 C ATOM 0 H LEU B 61 5.301 13.234 -1.430 1.00 0.00 H new ATOM 0 HA LEU B 61 6.892 12.208 0.705 1.00 0.00 H new ATOM 0 HB2 LEU B 61 4.217 11.497 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU B 61 4.875 10.494 0.721 1.00 0.00 H new ATOM 0 HG LEU B 61 5.094 12.536 2.180 1.00 0.00 H new ATOM 0 HD11 LEU B 61 3.939 14.609 1.476 1.00 0.00 H new ATOM 0 HD12 LEU B 61 5.274 14.211 0.368 1.00 0.00 H new ATOM 0 HD13 LEU B 61 3.592 13.878 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU B 61 2.650 12.784 2.584 1.00 0.00 H new ATOM 0 HD22 LEU B 61 2.316 12.045 1.000 1.00 0.00 H new ATOM 0 HD23 LEU B 61 3.078 11.082 2.288 1.00 0.00 H new ATOM 2241 N PHE B 62 6.621 10.248 -1.946 1.00 0.00 N ATOM 2242 CA PHE B 62 7.249 9.051 -2.580 1.00 0.00 C ATOM 2243 C PHE B 62 8.726 9.327 -2.871 1.00 0.00 C ATOM 2244 O PHE B 62 9.579 8.494 -2.635 1.00 0.00 O ATOM 2245 CB PHE B 62 6.503 8.704 -3.886 1.00 0.00 C ATOM 2246 CG PHE B 62 5.457 7.643 -3.611 1.00 0.00 C ATOM 2247 CD1 PHE B 62 4.485 7.863 -2.631 1.00 0.00 C ATOM 2248 CD2 PHE B 62 5.476 6.434 -4.321 1.00 0.00 C ATOM 2249 CE1 PHE B 62 3.526 6.879 -2.364 1.00 0.00 C ATOM 2250 CE2 PHE B 62 4.518 5.451 -4.053 1.00 0.00 C ATOM 2251 CZ PHE B 62 3.544 5.672 -3.074 1.00 0.00 C ATOM 0 H PHE B 62 5.915 10.720 -2.511 1.00 0.00 H new ATOM 0 HA PHE B 62 7.181 8.205 -1.896 1.00 0.00 H new ATOM 0 HB2 PHE B 62 6.030 9.597 -4.294 1.00 0.00 H new ATOM 0 HB3 PHE B 62 7.209 8.346 -4.635 1.00 0.00 H new ATOM 0 HD1 PHE B 62 4.474 8.792 -2.080 1.00 0.00 H new ATOM 0 HD2 PHE B 62 6.230 6.262 -5.075 1.00 0.00 H new ATOM 0 HE1 PHE B 62 2.772 7.051 -1.610 1.00 0.00 H new ATOM 0 HE2 PHE B 62 4.530 4.521 -4.602 1.00 0.00 H new ATOM 0 HZ PHE B 62 2.806 4.912 -2.866 1.00 0.00 H new ATOM 2261 N ASP B 63 9.036 10.486 -3.377 1.00 0.00 N ATOM 2262 CA ASP B 63 10.457 10.812 -3.686 1.00 0.00 C ATOM 2263 C ASP B 63 11.335 10.416 -2.500 1.00 0.00 C ATOM 2264 O ASP B 63 12.377 9.809 -2.660 1.00 0.00 O ATOM 2265 CB ASP B 63 10.570 12.321 -3.945 1.00 0.00 C ATOM 2266 CG ASP B 63 12.040 12.757 -3.945 1.00 0.00 C ATOM 2267 OD1 ASP B 63 12.825 12.137 -4.642 1.00 0.00 O ATOM 2268 OD2 ASP B 63 12.352 13.707 -3.245 1.00 0.00 O ATOM 0 H ASP B 63 8.366 11.225 -3.591 1.00 0.00 H new ATOM 0 HA ASP B 63 10.788 10.265 -4.569 1.00 0.00 H new ATOM 0 HB2 ASP B 63 10.112 12.567 -4.903 1.00 0.00 H new ATOM 0 HB3 ASP B 63 10.022 12.870 -3.179 1.00 0.00 H new ATOM 2273 N ARG B 64 10.927 10.752 -1.314 1.00 0.00 N ATOM 2274 CA ARG B 64 11.748 10.391 -0.130 1.00 0.00 C ATOM 2275 C ARG B 64 11.679 8.876 0.125 1.00 0.00 C ATOM 2276 O ARG B 64 12.670 8.248 0.444 1.00 0.00 O ATOM 2277 CB ARG B 64 11.231 11.142 1.096 1.00 0.00 C ATOM 2278 CG ARG B 64 11.112 12.641 0.781 1.00 0.00 C ATOM 2279 CD ARG B 64 12.427 13.180 0.203 1.00 0.00 C ATOM 2280 NE ARG B 64 12.533 14.643 0.477 1.00 0.00 N ATOM 2281 CZ ARG B 64 11.916 15.512 -0.281 1.00 0.00 C ATOM 2282 NH1 ARG B 64 11.154 15.113 -1.262 1.00 0.00 N ATOM 2283 NH2 ARG B 64 12.054 16.789 -0.044 1.00 0.00 N ATOM 0 H ARG B 64 10.065 11.259 -1.112 1.00 0.00 H new ATOM 0 HA ARG B 64 12.785 10.669 -0.320 1.00 0.00 H new ATOM 0 HB2 ARG B 64 10.260 10.746 1.393 1.00 0.00 H new ATOM 0 HB3 ARG B 64 11.907 10.991 1.937 1.00 0.00 H new ATOM 0 HG2 ARG B 64 10.302 12.805 0.070 1.00 0.00 H new ATOM 0 HG3 ARG B 64 10.856 13.189 1.688 1.00 0.00 H new ATOM 0 HD2 ARG B 64 13.273 12.655 0.646 1.00 0.00 H new ATOM 0 HD3 ARG B 64 12.466 12.997 -0.871 1.00 0.00 H new ATOM 0 HE ARG B 64 13.093 14.969 1.265 1.00 0.00 H new ATOM 0 HH11 ARG B 64 11.036 14.116 -1.443 1.00 0.00 H new ATOM 0 HH12 ARG B 64 10.677 15.798 -1.848 1.00 0.00 H new ATOM 0 HH21 ARG B 64 12.641 17.104 0.729 1.00 0.00 H new ATOM 0 HH22 ARG B 64 11.575 17.471 -0.632 1.00 0.00 H new ATOM 2297 N ILE B 65 10.522 8.282 0.002 1.00 0.00 N ATOM 2298 CA ILE B 65 10.408 6.812 0.255 1.00 0.00 C ATOM 2299 C ILE B 65 11.239 6.041 -0.773 1.00 0.00 C ATOM 2300 O ILE B 65 11.927 5.094 -0.444 1.00 0.00 O ATOM 2301 CB ILE B 65 8.943 6.379 0.148 1.00 0.00 C ATOM 2302 CG1 ILE B 65 8.145 7.003 1.293 1.00 0.00 C ATOM 2303 CG2 ILE B 65 8.848 4.851 0.239 1.00 0.00 C ATOM 2304 CD1 ILE B 65 6.651 6.798 1.040 1.00 0.00 C ATOM 0 H ILE B 65 9.653 8.747 -0.261 1.00 0.00 H new ATOM 0 HA ILE B 65 10.779 6.596 1.257 1.00 0.00 H new ATOM 0 HB ILE B 65 8.537 6.711 -0.808 1.00 0.00 H new ATOM 0 HG12 ILE B 65 8.431 6.547 2.241 1.00 0.00 H new ATOM 0 HG13 ILE B 65 8.370 8.067 1.370 1.00 0.00 H new ATOM 0 HG21 ILE B 65 7.804 4.546 0.163 1.00 0.00 H new ATOM 0 HG22 ILE B 65 9.418 4.402 -0.575 1.00 0.00 H new ATOM 0 HG23 ILE B 65 9.254 4.517 1.194 1.00 0.00 H new ATOM 0 HD11 ILE B 65 6.080 7.242 1.855 1.00 0.00 H new ATOM 0 HD12 ILE B 65 6.372 7.274 0.100 1.00 0.00 H new ATOM 0 HD13 ILE B 65 6.434 5.731 0.984 1.00 0.00 H new ATOM 2316 N ILE B 66 11.166 6.425 -2.014 1.00 0.00 N ATOM 2317 CA ILE B 66 11.936 5.700 -3.060 1.00 0.00 C ATOM 2318 C ILE B 66 13.438 5.769 -2.752 1.00 0.00 C ATOM 2319 O ILE B 66 14.150 6.622 -3.247 1.00 0.00 O ATOM 2320 CB ILE B 66 11.643 6.329 -4.422 1.00 0.00 C ATOM 2321 CG1 ILE B 66 10.148 6.176 -4.724 1.00 0.00 C ATOM 2322 CG2 ILE B 66 12.456 5.615 -5.503 1.00 0.00 C ATOM 2323 CD1 ILE B 66 9.781 6.997 -5.963 1.00 0.00 C ATOM 0 H ILE B 66 10.607 7.209 -2.350 1.00 0.00 H new ATOM 0 HA ILE B 66 11.637 4.652 -3.074 1.00 0.00 H new ATOM 0 HB ILE B 66 11.915 7.384 -4.408 1.00 0.00 H new ATOM 0 HG12 ILE B 66 9.907 5.126 -4.888 1.00 0.00 H new ATOM 0 HG13 ILE B 66 9.559 6.508 -3.869 1.00 0.00 H new ATOM 0 HG21 ILE B 66 12.246 6.065 -6.473 1.00 0.00 H new ATOM 0 HG22 ILE B 66 13.519 5.711 -5.281 1.00 0.00 H new ATOM 0 HG23 ILE B 66 12.184 4.560 -5.526 1.00 0.00 H new ATOM 0 HD11 ILE B 66 8.717 6.884 -6.172 1.00 0.00 H new ATOM 0 HD12 ILE B 66 10.006 8.048 -5.783 1.00 0.00 H new ATOM 0 HD13 ILE B 66 10.358 6.644 -6.817 1.00 0.00 H new ATOM 2335 N VAL B 67 13.917 4.857 -1.942 1.00 0.00 N ATOM 2336 CA VAL B 67 15.368 4.824 -1.586 1.00 0.00 C ATOM 2337 C VAL B 67 15.794 6.148 -0.939 1.00 0.00 C ATOM 2338 O VAL B 67 15.397 7.219 -1.357 1.00 0.00 O ATOM 2339 CB VAL B 67 16.197 4.574 -2.848 1.00 0.00 C ATOM 2340 CG1 VAL B 67 17.623 4.173 -2.457 1.00 0.00 C ATOM 2341 CG2 VAL B 67 15.555 3.443 -3.660 1.00 0.00 C ATOM 0 H VAL B 67 13.356 4.125 -1.507 1.00 0.00 H new ATOM 0 HA VAL B 67 15.537 4.019 -0.871 1.00 0.00 H new ATOM 0 HB VAL B 67 16.229 5.484 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL B 67 18.211 3.996 -3.358 1.00 0.00 H new ATOM 0 HG12 VAL B 67 18.080 4.975 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL B 67 17.594 3.263 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL B 67 16.143 3.262 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL B 67 15.524 2.535 -3.058 1.00 0.00 H new ATOM 0 HG23 VAL B 67 14.541 3.727 -3.940 1.00 0.00 H new ATOM 2351 N ASN B 68 16.606 6.076 0.085 1.00 0.00 N ATOM 2352 CA ASN B 68 17.069 7.316 0.772 1.00 0.00 C ATOM 2353 C ASN B 68 18.261 7.912 0.017 1.00 0.00 C ATOM 2354 O ASN B 68 19.203 7.221 -0.327 1.00 0.00 O ATOM 2355 CB ASN B 68 17.480 6.976 2.210 1.00 0.00 C ATOM 2356 CG ASN B 68 18.205 5.629 2.229 1.00 0.00 C ATOM 2357 OD1 ASN B 68 17.761 4.696 2.868 1.00 0.00 O ATOM 2358 ND2 ASN B 68 19.308 5.486 1.547 1.00 0.00 N ATOM 0 H ASN B 68 16.969 5.206 0.475 1.00 0.00 H new ATOM 0 HA ASN B 68 16.260 8.046 0.790 1.00 0.00 H new ATOM 0 HB2 ASN B 68 18.129 7.756 2.608 1.00 0.00 H new ATOM 0 HB3 ASN B 68 16.600 6.936 2.851 1.00 0.00 H new ATOM 0 HD21 ASN B 68 19.797 4.591 1.550 1.00 0.00 H new ATOM 0 HD22 ASN B 68 19.681 6.269 1.010 1.00 0.00 H new ATOM 2365 N LYS B 69 18.222 9.192 -0.242 1.00 0.00 N ATOM 2366 CA LYS B 69 19.339 9.849 -0.975 1.00 0.00 C ATOM 2367 C LYS B 69 20.539 10.010 -0.040 1.00 0.00 C ATOM 2368 O LYS B 69 20.400 10.386 1.108 1.00 0.00 O ATOM 2369 CB LYS B 69 18.879 11.232 -1.454 1.00 0.00 C ATOM 2370 CG LYS B 69 17.636 11.106 -2.352 1.00 0.00 C ATOM 2371 CD LYS B 69 18.020 10.572 -3.739 1.00 0.00 C ATOM 2372 CE LYS B 69 16.769 10.493 -4.615 1.00 0.00 C ATOM 2373 NZ LYS B 69 17.150 10.000 -5.969 1.00 0.00 N ATOM 0 H LYS B 69 17.458 9.813 0.025 1.00 0.00 H new ATOM 0 HA LYS B 69 19.626 9.238 -1.831 1.00 0.00 H new ATOM 0 HB2 LYS B 69 18.652 11.864 -0.595 1.00 0.00 H new ATOM 0 HB3 LYS B 69 19.684 11.719 -2.004 1.00 0.00 H new ATOM 0 HG2 LYS B 69 16.912 10.437 -1.887 1.00 0.00 H new ATOM 0 HG3 LYS B 69 17.154 12.078 -2.452 1.00 0.00 H new ATOM 0 HD2 LYS B 69 18.760 11.225 -4.201 1.00 0.00 H new ATOM 0 HD3 LYS B 69 18.477 9.587 -3.648 1.00 0.00 H new ATOM 0 HE2 LYS B 69 16.036 9.824 -4.164 1.00 0.00 H new ATOM 0 HE3 LYS B 69 16.301 11.474 -4.691 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 16.303 9.944 -6.569 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 17.835 10.655 -6.397 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 17.579 9.056 -5.887 1.00 0.00 H new ATOM 2387 N LEU B 70 21.720 9.722 -0.531 1.00 0.00 N ATOM 2388 CA LEU B 70 22.951 9.849 0.309 1.00 0.00 C ATOM 2389 C LEU B 70 24.011 10.642 -0.460 1.00 0.00 C ATOM 2390 O LEU B 70 24.045 11.855 -0.398 1.00 0.00 O ATOM 2391 CB LEU B 70 23.490 8.451 0.627 1.00 0.00 C ATOM 2392 CG LEU B 70 22.468 7.676 1.469 1.00 0.00 C ATOM 2393 CD1 LEU B 70 22.959 6.236 1.646 1.00 0.00 C ATOM 2394 CD2 LEU B 70 22.297 8.341 2.850 1.00 0.00 C ATOM 0 H LEU B 70 21.884 9.402 -1.485 1.00 0.00 H new ATOM 0 HA LEU B 70 22.711 10.369 1.237 1.00 0.00 H new ATOM 0 HB2 LEU B 70 23.696 7.912 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU B 70 24.434 8.530 1.167 1.00 0.00 H new ATOM 0 HG LEU B 70 21.504 7.680 0.960 1.00 0.00 H new ATOM 0 HD11 LEU B 70 22.239 5.677 2.243 1.00 0.00 H new ATOM 0 HD12 LEU B 70 23.064 5.765 0.669 1.00 0.00 H new ATOM 0 HD13 LEU B 70 23.924 6.240 2.152 1.00 0.00 H new ATOM 0 HD21 LEU B 70 21.569 7.780 3.436 1.00 0.00 H new ATOM 0 HD22 LEU B 70 23.254 8.348 3.371 1.00 0.00 H new ATOM 0 HD23 LEU B 70 21.947 9.365 2.720 1.00 0.00 H new ATOM 2406 N GLU B 71 24.866 9.956 -1.191 1.00 0.00 N ATOM 2407 CA GLU B 71 25.945 10.627 -1.989 1.00 0.00 C ATOM 2408 C GLU B 71 26.423 11.909 -1.279 1.00 0.00 C ATOM 2409 O GLU B 71 26.374 12.014 -0.069 1.00 0.00 O ATOM 2410 CB GLU B 71 25.429 10.955 -3.419 1.00 0.00 C ATOM 2411 CG GLU B 71 24.114 10.221 -3.722 1.00 0.00 C ATOM 2412 CD GLU B 71 24.351 8.710 -3.779 1.00 0.00 C ATOM 2413 OE1 GLU B 71 24.757 8.151 -2.775 1.00 0.00 O ATOM 2414 OE2 GLU B 71 24.116 8.136 -4.830 1.00 0.00 O ATOM 0 H GLU B 71 24.859 8.939 -1.268 1.00 0.00 H new ATOM 0 HA GLU B 71 26.792 9.946 -2.072 1.00 0.00 H new ATOM 0 HB2 GLU B 71 25.278 12.030 -3.515 1.00 0.00 H new ATOM 0 HB3 GLU B 71 26.183 10.672 -4.153 1.00 0.00 H new ATOM 0 HG2 GLU B 71 23.375 10.452 -2.954 1.00 0.00 H new ATOM 0 HG3 GLU B 71 23.706 10.568 -4.671 1.00 0.00 H new ATOM 2421 N HIS B 72 26.879 12.880 -2.030 1.00 0.00 N ATOM 2422 CA HIS B 72 27.355 14.161 -1.421 1.00 0.00 C ATOM 2423 C HIS B 72 26.301 15.250 -1.650 1.00 0.00 C ATOM 2424 O HIS B 72 25.522 15.572 -0.774 1.00 0.00 O ATOM 2425 CB HIS B 72 28.675 14.580 -2.090 1.00 0.00 C ATOM 2426 CG HIS B 72 29.835 13.877 -1.434 1.00 0.00 C ATOM 2427 ND1 HIS B 72 30.948 14.564 -0.973 1.00 0.00 N ATOM 2428 CD2 HIS B 72 30.069 12.552 -1.158 1.00 0.00 C ATOM 2429 CE1 HIS B 72 31.795 13.660 -0.448 1.00 0.00 C ATOM 2430 NE2 HIS B 72 31.307 12.422 -0.536 1.00 0.00 N ATOM 0 H HIS B 72 26.943 12.840 -3.047 1.00 0.00 H new ATOM 0 HA HIS B 72 27.514 14.024 -0.351 1.00 0.00 H new ATOM 0 HB2 HIS B 72 28.646 14.337 -3.152 1.00 0.00 H new ATOM 0 HB3 HIS B 72 28.804 15.660 -2.013 1.00 0.00 H new ATOM 0 HD2 HIS B 72 29.397 11.738 -1.388 1.00 0.00 H new ATOM 0 HE1 HIS B 72 32.751 13.906 -0.010 1.00 0.00 H new ATOM 0 HE2 HIS B 72 31.749 11.560 -0.215 1.00 0.00 H new ATOM 2438 N HIS B 73 26.283 15.830 -2.822 1.00 0.00 N ATOM 2439 CA HIS B 73 25.296 16.910 -3.112 1.00 0.00 C ATOM 2440 C HIS B 73 25.336 17.928 -1.967 1.00 0.00 C ATOM 2441 O HIS B 73 24.396 18.068 -1.208 1.00 0.00 O ATOM 2442 CB HIS B 73 23.885 16.299 -3.245 1.00 0.00 C ATOM 2443 CG HIS B 73 23.638 15.891 -4.677 1.00 0.00 C ATOM 2444 ND1 HIS B 73 24.641 15.362 -5.477 1.00 0.00 N ATOM 2445 CD2 HIS B 73 22.517 15.951 -5.471 1.00 0.00 C ATOM 2446 CE1 HIS B 73 24.112 15.130 -6.692 1.00 0.00 C ATOM 2447 NE2 HIS B 73 22.823 15.471 -6.740 1.00 0.00 N ATOM 0 H HIS B 73 26.911 15.601 -3.592 1.00 0.00 H new ATOM 0 HA HIS B 73 25.544 17.409 -4.049 1.00 0.00 H new ATOM 0 HB2 HIS B 73 23.790 15.434 -2.589 1.00 0.00 H new ATOM 0 HB3 HIS B 73 23.134 17.023 -2.929 1.00 0.00 H new ATOM 0 HD2 HIS B 73 21.549 16.314 -5.158 1.00 0.00 H new ATOM 0 HE1 HIS B 73 24.662 14.719 -7.525 1.00 0.00 H new ATOM 0 HE2 HIS B 73 22.194 15.396 -7.539 1.00 0.00 H new ATOM 2455 N HIS B 74 26.430 18.632 -1.834 1.00 0.00 N ATOM 2456 CA HIS B 74 26.551 19.634 -0.737 1.00 0.00 C ATOM 2457 C HIS B 74 25.935 20.966 -1.177 1.00 0.00 C ATOM 2458 O HIS B 74 25.217 21.032 -2.154 1.00 0.00 O ATOM 2459 CB HIS B 74 28.031 19.836 -0.394 1.00 0.00 C ATOM 2460 CG HIS B 74 28.148 20.515 0.940 1.00 0.00 C ATOM 2461 ND1 HIS B 74 27.259 20.261 1.974 1.00 0.00 N ATOM 2462 CD2 HIS B 74 29.038 21.441 1.429 1.00 0.00 C ATOM 2463 CE1 HIS B 74 27.627 21.020 3.022 1.00 0.00 C ATOM 2464 NE2 HIS B 74 28.704 21.755 2.742 1.00 0.00 N ATOM 0 H HIS B 74 27.246 18.555 -2.440 1.00 0.00 H new ATOM 0 HA HIS B 74 26.020 19.272 0.143 1.00 0.00 H new ATOM 0 HB2 HIS B 74 28.544 18.875 -0.371 1.00 0.00 H new ATOM 0 HB3 HIS B 74 28.515 20.437 -1.164 1.00 0.00 H new ATOM 0 HD2 HIS B 74 29.868 21.860 0.879 1.00 0.00 H new ATOM 0 HE1 HIS B 74 27.114 21.033 3.972 1.00 0.00 H new ATOM 0 HE2 HIS B 74 29.182 22.410 3.361 1.00 0.00 H new ATOM 2472 N HIS B 75 26.203 22.026 -0.457 1.00 0.00 N ATOM 2473 CA HIS B 75 25.624 23.350 -0.830 1.00 0.00 C ATOM 2474 C HIS B 75 24.109 23.204 -0.992 1.00 0.00 C ATOM 2475 O HIS B 75 23.432 24.090 -1.477 1.00 0.00 O ATOM 2476 CB HIS B 75 26.237 23.833 -2.148 1.00 0.00 C ATOM 2477 CG HIS B 75 27.652 24.288 -1.914 1.00 0.00 C ATOM 2478 ND1 HIS B 75 28.732 23.713 -2.571 1.00 0.00 N ATOM 2479 CD2 HIS B 75 28.183 25.266 -1.107 1.00 0.00 C ATOM 2480 CE1 HIS B 75 29.846 24.343 -2.153 1.00 0.00 C ATOM 2481 NE2 HIS B 75 29.566 25.296 -1.262 1.00 0.00 N ATOM 0 H HIS B 75 26.797 22.031 0.372 1.00 0.00 H new ATOM 0 HA HIS B 75 25.844 24.078 -0.049 1.00 0.00 H new ATOM 0 HB2 HIS B 75 26.221 23.029 -2.884 1.00 0.00 H new ATOM 0 HB3 HIS B 75 25.645 24.652 -2.557 1.00 0.00 H new ATOM 0 HD2 HIS B 75 27.615 25.911 -0.454 1.00 0.00 H new ATOM 0 HE1 HIS B 75 30.842 24.106 -2.496 1.00 0.00 H new ATOM 0 HE2 HIS B 75 30.226 25.916 -0.793 1.00 0.00 H new ATOM 2489 N HIS B 76 23.575 22.083 -0.592 1.00 0.00 N ATOM 2490 CA HIS B 76 22.110 21.852 -0.719 1.00 0.00 C ATOM 2491 C HIS B 76 21.340 22.855 0.150 1.00 0.00 C ATOM 2492 O HIS B 76 21.616 24.038 0.149 1.00 0.00 O ATOM 2493 CB HIS B 76 21.789 20.419 -0.271 1.00 0.00 C ATOM 2494 CG HIS B 76 21.968 20.293 1.220 1.00 0.00 C ATOM 2495 ND1 HIS B 76 22.575 21.108 2.143 1.00 0.00 N flip ATOM 2496 CD2 HIS B 76 21.462 19.218 1.937 1.00 0.00 C flip ATOM 2497 CE1 HIS B 76 22.446 20.550 3.409 1.00 0.00 C flip ATOM 2498 NE2 HIS B 76 21.769 19.414 3.232 1.00 0.00 N flip ATOM 0 H HIS B 76 24.097 21.310 -0.179 1.00 0.00 H new ATOM 0 HA HIS B 76 21.809 21.989 -1.758 1.00 0.00 H new ATOM 0 HB2 HIS B 76 20.765 20.164 -0.546 1.00 0.00 H new ATOM 0 HB3 HIS B 76 22.442 19.714 -0.785 1.00 0.00 H new ATOM 0 HD2 HIS B 76 20.920 18.377 1.530 1.00 0.00 H new ATOM 0 HE1 HIS B 76 22.816 20.952 4.341 1.00 0.00 H new ATOM 0 HE2 HIS B 76 21.516 18.774 3.985 1.00 0.00 H new ATOM 2506 N HIS B 77 20.371 22.378 0.890 1.00 0.00 N ATOM 2507 CA HIS B 77 19.562 23.272 1.769 1.00 0.00 C ATOM 2508 C HIS B 77 20.467 24.290 2.472 1.00 0.00 C ATOM 2509 O HIS B 77 21.480 23.879 3.013 1.00 0.00 O ATOM 2510 CB HIS B 77 18.848 22.418 2.820 1.00 0.00 C ATOM 2511 CG HIS B 77 17.754 23.219 3.468 1.00 0.00 C ATOM 2512 ND1 HIS B 77 18.003 24.412 4.132 1.00 0.00 N ATOM 2513 CD2 HIS B 77 16.401 23.011 3.563 1.00 0.00 C ATOM 2514 CE1 HIS B 77 16.825 24.873 4.593 1.00 0.00 C ATOM 2515 NE2 HIS B 77 15.821 24.055 4.273 1.00 0.00 N ATOM 2516 OXT HIS B 77 20.126 25.461 2.458 1.00 0.00 O ATOM 0 H HIS B 77 20.104 21.394 0.922 1.00 0.00 H new ATOM 0 HA HIS B 77 18.834 23.810 1.162 1.00 0.00 H new ATOM 0 HB2 HIS B 77 18.431 21.525 2.354 1.00 0.00 H new ATOM 0 HB3 HIS B 77 19.560 22.081 3.573 1.00 0.00 H new ATOM 0 HD2 HIS B 77 15.869 22.167 3.150 1.00 0.00 H new ATOM 0 HE1 HIS B 77 16.708 25.790 5.152 1.00 0.00 H new ATOM 0 HE2 HIS B 77 14.834 24.172 4.502 1.00 0.00 H new TER 2524 HIS B 77