USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 996 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 112 MET CE :methyl -178:sc= -1.2 (180deg=-1.25) USER MOD Set 2.1: A 42 MET CE :methyl -155:sc= -0.37 (180deg=-1.12) USER MOD Set 2.2: A 48 SER OG : rot 179:sc= 0.974 USER MOD Set 2.3: A 66 HIS : no HE2:sc= -5.1! C(o=-4.5!,f=-12!) USER MOD Set 3.1: A 57 GLN : amide:sc= -4.01! X(o=-5.1!,f=-5) USER MOD Set 3.2: A 58 ASN : amide:sc= -1.12! C(o=-5.1!,f=-10!) USER MOD Set 4.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 72 HIS : no HE2:sc= -2.73! C(o=-2.7!,f=-9.1!) USER MOD Set 5.1: A 1 GLN :FLIP amide:sc= -0.269 F(o=-3.8!,f=-2.3) USER MOD Set 5.2: A 3 GLN :FLIP amide:sc= -2.02 F(o=-4.3!,f=-2.3) USER MOD Single : A 1 GLN N :NH3+ -119:sc= 0.172 (180deg=-0.00704) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 146:sc= 1.23 (180deg=0.804) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.488 K(o=0.49,f=-0.91) USER MOD Single : A 29 THR OG1 : rot -58:sc= 0.968 USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= -0.099 (180deg=-0.554) USER MOD Single : A 32 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.22) USER MOD Single : A 37 THR OG1 : rot -78:sc= 1.09 USER MOD Single : A 39 CYS SG : rot -53:sc= -6.16! USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 0.703 (180deg=0.573) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 169:sc= -0.0149 (180deg=-0.204) USER MOD Single : A 52 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0502) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= 0.8 (180deg=-0.144) USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= -0.012 (180deg=-0.236) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.999 F(o=-5.6!,f=-1) USER MOD Single : A 68 ASN : amide:sc= 0.453 K(o=0.45,f=-0.41) USER MOD Single : A 76 THR OG1 : rot 89:sc= 1.08 USER MOD Single : A 81 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.091) USER MOD Single : A 82 ASN : amide:sc= -0.109 K(o=-0.11,f=-3.6!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -119:sc= 1.01 (180deg=-0.28) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 164:sc= -0.0576 (180deg=-0.34) USER MOD Single : A 111 LYS NZ :NH3+ -116:sc=-8.72e-05 (180deg=-0.692!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl 158:sc= -0.327 (180deg=-1.07) USER MOD Single : A 121 ASN : amide:sc= -0.458 X(o=-0.46,f=-0.077) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.367 14.711 -11.841 1.00 0.76 N ATOM 2 CA GLN A 1 -10.416 14.612 -10.713 1.00 0.55 C ATOM 3 C GLN A 1 -9.181 13.854 -11.158 1.00 0.49 C ATOM 4 O GLN A 1 -9.138 13.331 -12.271 1.00 0.60 O ATOM 5 CB GLN A 1 -11.073 13.902 -9.523 1.00 0.52 C ATOM 6 CG GLN A 1 -11.229 12.402 -9.700 1.00 0.69 C ATOM 7 CD GLN A 1 -12.469 11.859 -9.023 1.00 0.71 C ATOM 8 OE1 GLN A 1 -12.342 11.470 -7.766 1.00 1.40 O flip ATOM 9 NE2 GLN A 1 -13.537 11.790 -9.626 1.00 0.88 N flip ATOM 0 H1 GLN A 1 -11.528 15.712 -12.072 1.00 0.76 H new ATOM 0 H2 GLN A 1 -10.974 14.223 -12.671 1.00 0.76 H new ATOM 0 H3 GLN A 1 -12.269 14.268 -11.574 1.00 0.76 H new ATOM 0 HA GLN A 1 -10.128 15.615 -10.399 1.00 0.55 H new ATOM 0 HB2 GLN A 1 -10.479 14.091 -8.629 1.00 0.52 H new ATOM 0 HB3 GLN A 1 -12.056 14.340 -9.351 1.00 0.52 H new ATOM 0 HG2 GLN A 1 -11.269 12.168 -10.764 1.00 0.69 H new ATOM 0 HG3 GLN A 1 -10.350 11.899 -9.296 1.00 0.69 H new ATOM 0 HE21 GLN A 1 -13.596 12.100 -10.596 1.00 0.88 H new ATOM 0 HE22 GLN A 1 -14.365 11.423 -9.157 1.00 0.88 H new ATOM 20 N LEU A 2 -8.183 13.783 -10.299 1.00 0.39 N ATOM 21 CA LEU A 2 -6.990 13.040 -10.605 1.00 0.36 C ATOM 22 C LEU A 2 -6.850 11.908 -9.598 1.00 0.26 C ATOM 23 O LEU A 2 -7.015 12.110 -8.394 1.00 0.27 O ATOM 24 CB LEU A 2 -5.783 13.990 -10.577 1.00 0.48 C ATOM 25 CG LEU A 2 -4.490 13.405 -10.017 1.00 0.85 C ATOM 26 CD1 LEU A 2 -3.917 12.335 -10.938 1.00 1.45 C ATOM 27 CD2 LEU A 2 -3.465 14.503 -9.782 1.00 1.32 C ATOM 0 H LEU A 2 -8.181 14.234 -9.384 1.00 0.39 H new ATOM 0 HA LEU A 2 -7.044 12.603 -11.602 1.00 0.36 H new ATOM 0 HB2 LEU A 2 -5.593 14.336 -11.593 1.00 0.48 H new ATOM 0 HB3 LEU A 2 -6.048 14.867 -9.987 1.00 0.48 H new ATOM 0 HG LEU A 2 -4.727 12.934 -9.063 1.00 0.85 H new ATOM 0 HD11 LEU A 2 -2.996 11.940 -10.508 1.00 1.45 H new ATOM 0 HD12 LEU A 2 -4.640 11.527 -11.052 1.00 1.45 H new ATOM 0 HD13 LEU A 2 -3.704 12.771 -11.914 1.00 1.45 H new ATOM 0 HD21 LEU A 2 -2.550 14.067 -9.383 1.00 1.32 H new ATOM 0 HD22 LEU A 2 -3.247 15.005 -10.725 1.00 1.32 H new ATOM 0 HD23 LEU A 2 -3.863 15.226 -9.070 1.00 1.32 H new ATOM 39 N GLN A 3 -6.577 10.714 -10.091 1.00 0.24 N ATOM 40 CA GLN A 3 -6.372 9.570 -9.226 1.00 0.22 C ATOM 41 C GLN A 3 -5.083 8.866 -9.621 1.00 0.22 C ATOM 42 O GLN A 3 -4.836 8.646 -10.806 1.00 0.25 O ATOM 43 CB GLN A 3 -7.539 8.570 -9.330 1.00 0.24 C ATOM 44 CG GLN A 3 -8.889 9.176 -9.689 1.00 0.26 C ATOM 45 CD GLN A 3 -10.036 8.197 -9.494 1.00 0.26 C ATOM 46 OE1 GLN A 3 -9.744 6.907 -9.583 1.00 0.33 O flip ATOM 47 NE2 GLN A 3 -11.174 8.596 -9.248 1.00 0.25 N flip ATOM 0 H GLN A 3 -6.492 10.512 -11.087 1.00 0.24 H new ATOM 0 HA GLN A 3 -6.315 9.929 -8.198 1.00 0.22 H new ATOM 0 HB2 GLN A 3 -7.286 7.819 -10.079 1.00 0.24 H new ATOM 0 HB3 GLN A 3 -7.635 8.050 -8.377 1.00 0.24 H new ATOM 0 HG2 GLN A 3 -9.062 10.060 -9.075 1.00 0.26 H new ATOM 0 HG3 GLN A 3 -8.871 9.507 -10.727 1.00 0.26 H new ATOM 0 HE21 GLN A 3 -11.362 9.597 -9.187 1.00 0.25 H new ATOM 0 HE22 GLN A 3 -11.930 7.926 -9.105 1.00 0.25 H new ATOM 56 N GLU A 4 -4.260 8.519 -8.648 1.00 0.22 N ATOM 57 CA GLU A 4 -3.104 7.683 -8.920 1.00 0.25 C ATOM 58 C GLU A 4 -3.273 6.372 -8.175 1.00 0.23 C ATOM 59 O GLU A 4 -3.349 6.350 -6.947 1.00 0.27 O ATOM 60 CB GLU A 4 -1.798 8.355 -8.496 1.00 0.30 C ATOM 61 CG GLU A 4 -1.839 9.872 -8.539 1.00 0.28 C ATOM 62 CD GLU A 4 -0.457 10.484 -8.636 1.00 0.51 C ATOM 63 OE1 GLU A 4 0.397 10.166 -7.780 1.00 0.75 O ATOM 64 OE2 GLU A 4 -0.221 11.296 -9.554 1.00 0.88 O ATOM 0 H GLU A 4 -4.368 8.799 -7.673 1.00 0.22 H new ATOM 0 HA GLU A 4 -3.044 7.513 -9.995 1.00 0.25 H new ATOM 0 HB2 GLU A 4 -1.551 8.038 -7.483 1.00 0.30 H new ATOM 0 HB3 GLU A 4 -0.995 8.005 -9.145 1.00 0.30 H new ATOM 0 HG2 GLU A 4 -2.436 10.193 -9.393 1.00 0.28 H new ATOM 0 HG3 GLU A 4 -2.337 10.245 -7.644 1.00 0.28 H new ATOM 71 N LYS A 5 -3.339 5.285 -8.914 1.00 0.24 N ATOM 72 CA LYS A 5 -3.665 4.003 -8.323 1.00 0.25 C ATOM 73 C LYS A 5 -2.416 3.178 -8.215 1.00 0.25 C ATOM 74 O LYS A 5 -1.797 2.828 -9.217 1.00 0.30 O ATOM 75 CB LYS A 5 -4.699 3.222 -9.142 1.00 0.30 C ATOM 76 CG LYS A 5 -5.885 4.038 -9.650 1.00 0.40 C ATOM 77 CD LYS A 5 -5.485 5.021 -10.744 1.00 0.66 C ATOM 78 CE LYS A 5 -6.683 5.518 -11.532 1.00 1.21 C ATOM 79 NZ LYS A 5 -7.134 4.518 -12.534 1.00 1.43 N ATOM 0 H LYS A 5 -3.172 5.262 -9.920 1.00 0.24 H new ATOM 0 HA LYS A 5 -4.097 4.200 -7.342 1.00 0.25 H new ATOM 0 HB2 LYS A 5 -4.195 2.773 -9.998 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -5.078 2.403 -8.530 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -6.650 3.363 -10.033 1.00 0.40 H new ATOM 0 HG3 LYS A 5 -6.330 4.585 -8.818 1.00 0.40 H new ATOM 0 HD2 LYS A 5 -4.969 5.870 -10.296 1.00 0.66 H new ATOM 0 HD3 LYS A 5 -4.780 4.541 -11.422 1.00 0.66 H new ATOM 0 HE2 LYS A 5 -7.501 5.742 -10.848 1.00 1.21 H new ATOM 0 HE3 LYS A 5 -6.426 6.449 -12.037 1.00 1.21 H new ATOM 0 HZ1 LYS A 5 -7.954 4.892 -13.053 1.00 1.43 H new ATOM 0 HZ2 LYS A 5 -6.361 4.323 -13.202 1.00 1.43 H new ATOM 0 HZ3 LYS A 5 -7.403 3.638 -12.049 1.00 1.43 H new ATOM 93 N LEU A 6 -2.054 2.867 -7.007 1.00 0.23 N ATOM 94 CA LEU A 6 -0.869 2.089 -6.771 1.00 0.25 C ATOM 95 C LEU A 6 -1.260 0.639 -6.556 1.00 0.24 C ATOM 96 O LEU A 6 -1.711 0.251 -5.476 1.00 0.24 O ATOM 97 CB LEU A 6 -0.122 2.677 -5.582 1.00 0.26 C ATOM 98 CG LEU A 6 0.018 4.203 -5.649 1.00 0.27 C ATOM 99 CD1 LEU A 6 0.566 4.755 -4.349 1.00 0.32 C ATOM 100 CD2 LEU A 6 0.907 4.610 -6.815 1.00 0.30 C ATOM 0 H LEU A 6 -2.562 3.139 -6.165 1.00 0.23 H new ATOM 0 HA LEU A 6 -0.199 2.121 -7.630 1.00 0.25 H new ATOM 0 HB2 LEU A 6 -0.644 2.407 -4.664 1.00 0.26 H new ATOM 0 HB3 LEU A 6 0.871 2.230 -5.528 1.00 0.26 H new ATOM 0 HG LEU A 6 -0.975 4.625 -5.806 1.00 0.27 H new ATOM 0 HD11 LEU A 6 0.656 5.839 -4.423 1.00 0.32 H new ATOM 0 HD12 LEU A 6 -0.110 4.502 -3.532 1.00 0.32 H new ATOM 0 HD13 LEU A 6 1.547 4.322 -4.155 1.00 0.32 H new ATOM 0 HD21 LEU A 6 0.993 5.696 -6.845 1.00 0.30 H new ATOM 0 HD22 LEU A 6 1.896 4.171 -6.689 1.00 0.30 H new ATOM 0 HD23 LEU A 6 0.469 4.255 -7.748 1.00 0.30 H new ATOM 112 N TYR A 7 -1.139 -0.141 -7.619 1.00 0.27 N ATOM 113 CA TYR A 7 -1.573 -1.525 -7.618 1.00 0.27 C ATOM 114 C TYR A 7 -0.608 -2.404 -6.856 1.00 0.29 C ATOM 115 O TYR A 7 0.590 -2.435 -7.140 1.00 0.38 O ATOM 116 CB TYR A 7 -1.738 -2.037 -9.044 1.00 0.32 C ATOM 117 CG TYR A 7 -3.179 -2.054 -9.489 1.00 0.35 C ATOM 118 CD1 TYR A 7 -3.986 -3.162 -9.277 1.00 0.36 C ATOM 119 CD2 TYR A 7 -3.722 -0.955 -10.138 1.00 0.47 C ATOM 120 CE1 TYR A 7 -5.300 -3.177 -9.705 1.00 0.46 C ATOM 121 CE2 TYR A 7 -5.035 -0.960 -10.563 1.00 0.57 C ATOM 122 CZ TYR A 7 -5.841 -2.096 -10.275 1.00 0.56 C ATOM 123 OH TYR A 7 -7.121 -2.078 -10.789 1.00 0.69 O ATOM 0 H TYR A 7 -0.738 0.169 -8.504 1.00 0.27 H new ATOM 0 HA TYR A 7 -2.539 -1.568 -7.115 1.00 0.27 H new ATOM 0 HB2 TYR A 7 -1.159 -1.409 -9.721 1.00 0.32 H new ATOM 0 HB3 TYR A 7 -1.327 -3.044 -9.115 1.00 0.32 H new ATOM 0 HD1 TYR A 7 -3.582 -4.026 -8.770 1.00 0.36 H new ATOM 0 HD2 TYR A 7 -3.109 -0.083 -10.313 1.00 0.47 H new ATOM 0 HE1 TYR A 7 -5.895 -4.070 -9.578 1.00 0.46 H new ATOM 0 HE2 TYR A 7 -5.442 -0.118 -11.103 1.00 0.57 H new ATOM 0 HH TYR A 7 -7.314 -1.190 -11.156 1.00 0.69 H new ATOM 133 N VAL A 8 -1.141 -3.120 -5.889 1.00 0.24 N ATOM 134 CA VAL A 8 -0.348 -4.014 -5.089 1.00 0.26 C ATOM 135 C VAL A 8 -0.975 -5.405 -5.147 1.00 0.26 C ATOM 136 O VAL A 8 -2.077 -5.642 -4.666 1.00 0.26 O ATOM 137 CB VAL A 8 -0.219 -3.461 -3.655 1.00 0.36 C ATOM 138 CG1 VAL A 8 -1.552 -3.452 -2.917 1.00 1.12 C ATOM 139 CG2 VAL A 8 0.845 -4.221 -2.904 1.00 1.27 C ATOM 0 H VAL A 8 -2.130 -3.096 -5.640 1.00 0.24 H new ATOM 0 HA VAL A 8 0.668 -4.094 -5.477 1.00 0.26 H new ATOM 0 HB VAL A 8 0.089 -2.417 -3.719 1.00 0.36 H new ATOM 0 HG11 VAL A 8 -1.409 -3.054 -1.912 1.00 1.12 H new ATOM 0 HG12 VAL A 8 -2.263 -2.827 -3.457 1.00 1.12 H new ATOM 0 HG13 VAL A 8 -1.939 -4.469 -2.853 1.00 1.12 H new ATOM 0 HG21 VAL A 8 0.930 -3.824 -1.892 1.00 1.27 H new ATOM 0 HG22 VAL A 8 0.575 -5.276 -2.859 1.00 1.27 H new ATOM 0 HG23 VAL A 8 1.800 -4.113 -3.417 1.00 1.27 H new ATOM 149 N PRO A 9 -0.273 -6.348 -5.772 1.00 0.32 N ATOM 150 CA PRO A 9 -0.864 -7.623 -6.154 1.00 0.37 C ATOM 151 C PRO A 9 -1.161 -8.523 -4.965 1.00 0.34 C ATOM 152 O PRO A 9 -0.285 -9.207 -4.440 1.00 0.35 O ATOM 153 CB PRO A 9 0.187 -8.240 -7.075 1.00 0.44 C ATOM 154 CG PRO A 9 1.475 -7.653 -6.611 1.00 0.43 C ATOM 155 CD PRO A 9 1.148 -6.256 -6.146 1.00 0.39 C ATOM 0 HA PRO A 9 -1.835 -7.493 -6.631 1.00 0.37 H new ATOM 0 HB2 PRO A 9 0.195 -9.327 -6.997 1.00 0.44 H new ATOM 0 HB3 PRO A 9 -0.007 -7.996 -8.119 1.00 0.44 H new ATOM 0 HG2 PRO A 9 1.905 -8.244 -5.802 1.00 0.43 H new ATOM 0 HG3 PRO A 9 2.209 -7.635 -7.417 1.00 0.43 H new ATOM 0 HD2 PRO A 9 1.768 -5.958 -5.301 1.00 0.39 H new ATOM 0 HD3 PRO A 9 1.310 -5.521 -6.935 1.00 0.39 H new ATOM 163 N VAL A 10 -2.413 -8.502 -4.539 1.00 0.34 N ATOM 164 CA VAL A 10 -2.871 -9.363 -3.461 1.00 0.36 C ATOM 165 C VAL A 10 -2.872 -10.816 -3.929 1.00 0.43 C ATOM 166 O VAL A 10 -2.859 -11.752 -3.132 1.00 0.47 O ATOM 167 CB VAL A 10 -4.278 -8.951 -2.989 1.00 0.42 C ATOM 168 CG1 VAL A 10 -5.323 -9.234 -4.054 1.00 0.51 C ATOM 169 CG2 VAL A 10 -4.631 -9.626 -1.670 1.00 0.52 C ATOM 0 H VAL A 10 -3.135 -7.894 -4.926 1.00 0.34 H new ATOM 0 HA VAL A 10 -2.189 -9.258 -2.617 1.00 0.36 H new ATOM 0 HB VAL A 10 -4.270 -7.874 -2.819 1.00 0.42 H new ATOM 0 HG11 VAL A 10 -6.305 -8.932 -3.690 1.00 0.51 H new ATOM 0 HG12 VAL A 10 -5.083 -8.673 -4.957 1.00 0.51 H new ATOM 0 HG13 VAL A 10 -5.332 -10.300 -4.280 1.00 0.51 H new ATOM 0 HG21 VAL A 10 -5.629 -9.318 -1.359 1.00 0.52 H new ATOM 0 HG22 VAL A 10 -4.609 -10.708 -1.798 1.00 0.52 H new ATOM 0 HG23 VAL A 10 -3.908 -9.336 -0.908 1.00 0.52 H new ATOM 179 N LYS A 11 -2.894 -10.977 -5.241 1.00 0.49 N ATOM 180 CA LYS A 11 -2.739 -12.282 -5.867 1.00 0.58 C ATOM 181 C LYS A 11 -1.353 -12.831 -5.575 1.00 0.53 C ATOM 182 O LYS A 11 -1.159 -14.037 -5.411 1.00 0.60 O ATOM 183 CB LYS A 11 -2.928 -12.163 -7.376 1.00 0.72 C ATOM 184 CG LYS A 11 -4.331 -11.771 -7.789 1.00 1.27 C ATOM 185 CD LYS A 11 -4.429 -11.583 -9.294 1.00 1.76 C ATOM 186 CE LYS A 11 -5.866 -11.658 -9.780 1.00 2.24 C ATOM 187 NZ LYS A 11 -6.782 -10.844 -8.944 1.00 2.93 N ATOM 0 H LYS A 11 -3.019 -10.210 -5.902 1.00 0.49 H new ATOM 0 HA LYS A 11 -3.492 -12.959 -5.462 1.00 0.58 H new ATOM 0 HB2 LYS A 11 -2.226 -11.424 -7.763 1.00 0.72 H new ATOM 0 HB3 LYS A 11 -2.676 -13.116 -7.840 1.00 0.72 H new ATOM 0 HG2 LYS A 11 -5.035 -12.539 -7.469 1.00 1.27 H new ATOM 0 HG3 LYS A 11 -4.617 -10.848 -7.285 1.00 1.27 H new ATOM 0 HD2 LYS A 11 -4.003 -10.618 -9.568 1.00 1.76 H new ATOM 0 HD3 LYS A 11 -3.836 -12.348 -9.795 1.00 1.76 H new ATOM 0 HE2 LYS A 11 -5.917 -11.314 -10.813 1.00 2.24 H new ATOM 0 HE3 LYS A 11 -6.197 -12.697 -9.773 1.00 2.24 H new ATOM 0 HZ1 LYS A 11 -7.535 -10.446 -9.541 1.00 2.93 H new ATOM 0 HZ2 LYS A 11 -7.205 -11.444 -8.207 1.00 2.93 H new ATOM 0 HZ3 LYS A 11 -6.249 -10.071 -8.497 1.00 2.93 H new ATOM 201 N GLU A 12 -0.397 -11.919 -5.505 1.00 0.45 N ATOM 202 CA GLU A 12 0.982 -12.262 -5.228 1.00 0.44 C ATOM 203 C GLU A 12 1.173 -12.600 -3.765 1.00 0.39 C ATOM 204 O GLU A 12 1.924 -13.511 -3.417 1.00 0.43 O ATOM 205 CB GLU A 12 1.886 -11.102 -5.602 1.00 0.46 C ATOM 206 CG GLU A 12 2.081 -10.961 -7.102 1.00 0.60 C ATOM 207 CD GLU A 12 2.618 -12.227 -7.740 1.00 0.77 C ATOM 208 OE1 GLU A 12 3.846 -12.451 -7.686 1.00 0.97 O ATOM 209 OE2 GLU A 12 1.815 -13.005 -8.294 1.00 0.96 O ATOM 0 H GLU A 12 -0.559 -10.921 -5.639 1.00 0.45 H new ATOM 0 HA GLU A 12 1.241 -13.138 -5.823 1.00 0.44 H new ATOM 0 HB2 GLU A 12 1.464 -10.178 -5.208 1.00 0.46 H new ATOM 0 HB3 GLU A 12 2.857 -11.237 -5.126 1.00 0.46 H new ATOM 0 HG2 GLU A 12 1.130 -10.700 -7.566 1.00 0.60 H new ATOM 0 HG3 GLU A 12 2.768 -10.139 -7.300 1.00 0.60 H new ATOM 216 N TYR A 13 0.488 -11.859 -2.915 1.00 0.34 N ATOM 217 CA TYR A 13 0.631 -12.015 -1.482 1.00 0.35 C ATOM 218 C TYR A 13 -0.722 -12.307 -0.852 1.00 0.39 C ATOM 219 O TYR A 13 -1.377 -11.413 -0.322 1.00 0.40 O ATOM 220 CB TYR A 13 1.236 -10.747 -0.883 1.00 0.34 C ATOM 221 CG TYR A 13 2.386 -10.207 -1.699 1.00 0.35 C ATOM 222 CD1 TYR A 13 3.670 -10.695 -1.513 1.00 0.44 C ATOM 223 CD2 TYR A 13 2.192 -9.205 -2.636 1.00 0.34 C ATOM 224 CE1 TYR A 13 4.734 -10.203 -2.235 1.00 0.48 C ATOM 225 CE2 TYR A 13 3.253 -8.704 -3.369 1.00 0.40 C ATOM 226 CZ TYR A 13 4.478 -9.217 -3.233 1.00 0.46 C ATOM 227 OH TYR A 13 5.586 -8.714 -3.889 1.00 0.53 O ATOM 0 H TYR A 13 -0.177 -11.139 -3.196 1.00 0.34 H new ATOM 0 HA TYR A 13 1.297 -12.853 -1.277 1.00 0.35 H new ATOM 0 HB2 TYR A 13 0.463 -9.983 -0.803 1.00 0.34 H new ATOM 0 HB3 TYR A 13 1.582 -10.958 0.129 1.00 0.34 H new ATOM 0 HD1 TYR A 13 3.839 -11.477 -0.787 1.00 0.44 H new ATOM 0 HD2 TYR A 13 1.200 -8.810 -2.796 1.00 0.34 H new ATOM 0 HE1 TYR A 13 5.738 -10.555 -2.050 1.00 0.48 H new ATOM 0 HE2 TYR A 13 3.089 -7.889 -4.059 1.00 0.40 H new ATOM 0 HH TYR A 13 5.301 -8.049 -4.550 1.00 0.53 H new ATOM 237 N PRO A 14 -1.169 -13.568 -0.928 1.00 0.47 N ATOM 238 CA PRO A 14 -2.474 -13.969 -0.407 1.00 0.55 C ATOM 239 C PRO A 14 -2.520 -13.927 1.114 1.00 0.59 C ATOM 240 O PRO A 14 -3.587 -13.791 1.711 1.00 0.68 O ATOM 241 CB PRO A 14 -2.639 -15.402 -0.918 1.00 0.64 C ATOM 242 CG PRO A 14 -1.252 -15.898 -1.129 1.00 0.75 C ATOM 243 CD PRO A 14 -0.435 -14.700 -1.525 1.00 0.52 C ATOM 0 HA PRO A 14 -3.270 -13.300 -0.733 1.00 0.55 H new ATOM 0 HB2 PRO A 14 -3.173 -16.019 -0.196 1.00 0.64 H new ATOM 0 HB3 PRO A 14 -3.212 -15.427 -1.845 1.00 0.64 H new ATOM 0 HG2 PRO A 14 -0.859 -16.354 -0.220 1.00 0.75 H new ATOM 0 HG3 PRO A 14 -1.226 -16.662 -1.906 1.00 0.75 H new ATOM 0 HD2 PRO A 14 0.583 -14.765 -1.142 1.00 0.52 H new ATOM 0 HD3 PRO A 14 -0.362 -14.604 -2.608 1.00 0.52 H new ATOM 251 N ASP A 15 -1.353 -14.035 1.737 1.00 0.57 N ATOM 252 CA ASP A 15 -1.269 -14.046 3.191 1.00 0.67 C ATOM 253 C ASP A 15 -0.939 -12.663 3.733 1.00 0.62 C ATOM 254 O ASP A 15 -1.051 -12.421 4.936 1.00 0.76 O ATOM 255 CB ASP A 15 -0.218 -15.050 3.674 1.00 0.78 C ATOM 256 CG ASP A 15 -0.524 -16.472 3.254 1.00 1.64 C ATOM 257 OD1 ASP A 15 -1.659 -16.928 3.497 1.00 2.15 O ATOM 258 OD2 ASP A 15 0.362 -17.134 2.670 1.00 2.43 O ATOM 0 H ASP A 15 -0.455 -14.116 1.260 1.00 0.57 H new ATOM 0 HA ASP A 15 -2.246 -14.348 3.569 1.00 0.67 H new ATOM 0 HB2 ASP A 15 0.758 -14.763 3.283 1.00 0.78 H new ATOM 0 HB3 ASP A 15 -0.152 -15.004 4.761 1.00 0.78 H new ATOM 263 N PHE A 16 -0.541 -11.751 2.853 1.00 0.48 N ATOM 264 CA PHE A 16 -0.249 -10.393 3.277 1.00 0.43 C ATOM 265 C PHE A 16 -1.450 -9.507 3.007 1.00 0.37 C ATOM 266 O PHE A 16 -1.763 -9.186 1.860 1.00 0.36 O ATOM 267 CB PHE A 16 0.993 -9.833 2.589 1.00 0.41 C ATOM 268 CG PHE A 16 1.532 -8.617 3.291 1.00 0.40 C ATOM 269 CD1 PHE A 16 2.383 -8.743 4.372 1.00 0.52 C ATOM 270 CD2 PHE A 16 1.198 -7.347 2.852 1.00 0.34 C ATOM 271 CE1 PHE A 16 2.887 -7.630 5.011 1.00 0.56 C ATOM 272 CE2 PHE A 16 1.698 -6.226 3.487 1.00 0.36 C ATOM 273 CZ PHE A 16 2.509 -6.374 4.605 1.00 0.49 C ATOM 0 H PHE A 16 -0.415 -11.926 1.856 1.00 0.48 H new ATOM 0 HA PHE A 16 -0.041 -10.412 4.347 1.00 0.43 H new ATOM 0 HB2 PHE A 16 1.765 -10.602 2.554 1.00 0.41 H new ATOM 0 HB3 PHE A 16 0.751 -9.577 1.557 1.00 0.41 H new ATOM 0 HD1 PHE A 16 2.657 -9.727 4.722 1.00 0.52 H new ATOM 0 HD2 PHE A 16 0.539 -7.231 2.004 1.00 0.34 H new ATOM 0 HE1 PHE A 16 3.580 -7.746 5.831 1.00 0.56 H new ATOM 0 HE2 PHE A 16 1.459 -5.240 3.116 1.00 0.36 H new ATOM 0 HZ PHE A 16 2.841 -5.504 5.153 1.00 0.49 H new ATOM 283 N ASN A 17 -2.123 -9.118 4.070 1.00 0.37 N ATOM 284 CA ASN A 17 -3.312 -8.300 3.951 1.00 0.35 C ATOM 285 C ASN A 17 -2.946 -6.828 3.864 1.00 0.30 C ATOM 286 O ASN A 17 -2.731 -6.173 4.874 1.00 0.30 O ATOM 287 CB ASN A 17 -4.293 -8.562 5.109 1.00 0.45 C ATOM 288 CG ASN A 17 -3.648 -8.695 6.492 1.00 0.74 C ATOM 289 OD1 ASN A 17 -4.035 -9.562 7.275 1.00 1.29 O ATOM 290 ND2 ASN A 17 -2.714 -7.822 6.832 1.00 0.71 N ATOM 0 H ASN A 17 -1.866 -9.356 5.028 1.00 0.37 H new ATOM 0 HA ASN A 17 -3.818 -8.578 3.026 1.00 0.35 H new ATOM 0 HB2 ASN A 17 -5.018 -7.749 5.141 1.00 0.45 H new ATOM 0 HB3 ASN A 17 -4.847 -9.476 4.895 1.00 0.45 H new ATOM 0 HD21 ASN A 17 -2.297 -7.858 7.762 1.00 0.71 H new ATOM 0 HD22 ASN A 17 -2.411 -7.113 6.164 1.00 0.71 H new ATOM 297 N PHE A 18 -2.854 -6.310 2.650 1.00 0.28 N ATOM 298 CA PHE A 18 -2.501 -4.912 2.457 1.00 0.26 C ATOM 299 C PHE A 18 -3.482 -3.986 3.167 1.00 0.27 C ATOM 300 O PHE A 18 -3.080 -2.983 3.730 1.00 0.27 O ATOM 301 CB PHE A 18 -2.401 -4.577 0.971 1.00 0.24 C ATOM 302 CG PHE A 18 -1.293 -5.324 0.293 1.00 0.23 C ATOM 303 CD1 PHE A 18 0.012 -5.088 0.668 1.00 0.24 C ATOM 304 CD2 PHE A 18 -1.546 -6.257 -0.708 1.00 0.23 C ATOM 305 CE1 PHE A 18 1.052 -5.757 0.070 1.00 0.26 C ATOM 306 CE2 PHE A 18 -0.501 -6.937 -1.316 1.00 0.25 C ATOM 307 CZ PHE A 18 0.799 -6.681 -0.924 1.00 0.25 C ATOM 0 H PHE A 18 -3.017 -6.832 1.789 1.00 0.28 H new ATOM 0 HA PHE A 18 -1.520 -4.752 2.905 1.00 0.26 H new ATOM 0 HB2 PHE A 18 -3.347 -4.813 0.483 1.00 0.24 H new ATOM 0 HB3 PHE A 18 -2.240 -3.506 0.852 1.00 0.24 H new ATOM 0 HD1 PHE A 18 0.220 -4.366 1.444 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.563 -6.453 -1.014 1.00 0.23 H new ATOM 0 HE1 PHE A 18 2.068 -5.560 0.378 1.00 0.26 H new ATOM 0 HE2 PHE A 18 -0.702 -7.662 -2.091 1.00 0.25 H new ATOM 0 HZ PHE A 18 1.618 -7.204 -1.396 1.00 0.25 H new ATOM 317 N VAL A 19 -4.760 -4.330 3.170 1.00 0.31 N ATOM 318 CA VAL A 19 -5.743 -3.573 3.925 1.00 0.32 C ATOM 319 C VAL A 19 -5.510 -3.704 5.427 1.00 0.29 C ATOM 320 O VAL A 19 -5.543 -2.714 6.150 1.00 0.27 O ATOM 321 CB VAL A 19 -7.174 -4.005 3.567 1.00 0.41 C ATOM 322 CG1 VAL A 19 -7.584 -3.400 2.235 1.00 1.34 C ATOM 323 CG2 VAL A 19 -7.292 -5.524 3.526 1.00 1.13 C ATOM 0 H VAL A 19 -5.139 -5.127 2.659 1.00 0.31 H new ATOM 0 HA VAL A 19 -5.623 -2.525 3.651 1.00 0.32 H new ATOM 0 HB VAL A 19 -7.848 -3.639 4.341 1.00 0.41 H new ATOM 0 HG11 VAL A 19 -8.599 -3.712 1.991 1.00 1.34 H new ATOM 0 HG12 VAL A 19 -7.545 -2.313 2.302 1.00 1.34 H new ATOM 0 HG13 VAL A 19 -6.902 -3.740 1.456 1.00 1.34 H new ATOM 0 HG21 VAL A 19 -8.314 -5.803 3.271 1.00 1.13 H new ATOM 0 HG22 VAL A 19 -6.609 -5.922 2.775 1.00 1.13 H new ATOM 0 HG23 VAL A 19 -7.037 -5.935 4.503 1.00 1.13 H new ATOM 333 N GLY A 20 -5.231 -4.917 5.882 1.00 0.33 N ATOM 334 CA GLY A 20 -4.907 -5.132 7.284 1.00 0.35 C ATOM 335 C GLY A 20 -3.574 -4.510 7.659 1.00 0.32 C ATOM 336 O GLY A 20 -3.229 -4.400 8.832 1.00 0.38 O ATOM 0 H GLY A 20 -5.222 -5.759 5.307 1.00 0.33 H new ATOM 0 HA2 GLY A 20 -5.694 -4.708 7.908 1.00 0.35 H new ATOM 0 HA3 GLY A 20 -4.879 -6.202 7.490 1.00 0.35 H new ATOM 340 N ARG A 21 -2.825 -4.110 6.645 1.00 0.29 N ATOM 341 CA ARG A 21 -1.515 -3.509 6.823 1.00 0.32 C ATOM 342 C ARG A 21 -1.616 -1.990 6.737 1.00 0.31 C ATOM 343 O ARG A 21 -0.988 -1.267 7.511 1.00 0.39 O ATOM 344 CB ARG A 21 -0.562 -4.054 5.744 1.00 0.33 C ATOM 345 CG ARG A 21 0.406 -3.028 5.169 1.00 0.56 C ATOM 346 CD ARG A 21 1.723 -2.980 5.925 1.00 0.52 C ATOM 347 NE ARG A 21 1.564 -2.682 7.347 1.00 1.51 N ATOM 348 CZ ARG A 21 2.259 -3.288 8.307 1.00 2.26 C ATOM 349 NH1 ARG A 21 3.094 -4.274 7.995 1.00 2.34 N ATOM 350 NH2 ARG A 21 2.111 -2.923 9.576 1.00 3.20 N ATOM 0 H ARG A 21 -3.111 -4.194 5.670 1.00 0.29 H new ATOM 0 HA ARG A 21 -1.124 -3.765 7.808 1.00 0.32 H new ATOM 0 HB2 ARG A 21 0.013 -4.877 6.169 1.00 0.33 H new ATOM 0 HB3 ARG A 21 -1.157 -4.468 4.930 1.00 0.33 H new ATOM 0 HG2 ARG A 21 0.600 -3.264 4.123 1.00 0.56 H new ATOM 0 HG3 ARG A 21 -0.059 -2.042 5.193 1.00 0.56 H new ATOM 0 HD2 ARG A 21 2.231 -3.938 5.817 1.00 0.52 H new ATOM 0 HD3 ARG A 21 2.366 -2.225 5.473 1.00 0.52 H new ATOM 0 HE ARG A 21 0.884 -1.972 7.618 1.00 1.51 H new ATOM 0 HH11 ARG A 21 3.200 -4.564 7.023 1.00 2.34 H new ATOM 0 HH12 ARG A 21 3.628 -4.741 8.728 1.00 2.34 H new ATOM 0 HH21 ARG A 21 1.462 -2.175 9.819 1.00 3.20 H new ATOM 0 HH22 ARG A 21 2.646 -3.391 10.307 1.00 3.20 H new ATOM 364 N ILE A 22 -2.412 -1.524 5.790 1.00 0.27 N ATOM 365 CA ILE A 22 -2.555 -0.103 5.533 1.00 0.31 C ATOM 366 C ILE A 22 -3.600 0.516 6.454 1.00 0.28 C ATOM 367 O ILE A 22 -3.335 1.505 7.128 1.00 0.32 O ATOM 368 CB ILE A 22 -2.942 0.161 4.056 1.00 0.40 C ATOM 369 CG1 ILE A 22 -1.846 -0.345 3.112 1.00 0.51 C ATOM 370 CG2 ILE A 22 -3.213 1.637 3.811 1.00 0.52 C ATOM 371 CD1 ILE A 22 -0.466 0.186 3.437 1.00 0.99 C ATOM 0 H ILE A 22 -2.975 -2.118 5.181 1.00 0.27 H new ATOM 0 HA ILE A 22 -1.589 0.362 5.731 1.00 0.31 H new ATOM 0 HB ILE A 22 -3.861 -0.388 3.850 1.00 0.40 H new ATOM 0 HG12 ILE A 22 -1.824 -1.434 3.147 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -2.102 -0.064 2.090 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -3.482 1.789 2.766 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -4.033 1.967 4.448 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -2.318 2.215 4.043 1.00 0.52 H new ATOM 0 HD11 ILE A 22 0.255 -0.216 2.726 1.00 0.99 H new ATOM 0 HD12 ILE A 22 -0.470 1.274 3.373 1.00 0.99 H new ATOM 0 HD13 ILE A 22 -0.188 -0.117 4.446 1.00 0.99 H new ATOM 383 N LEU A 23 -4.778 -0.090 6.501 1.00 0.30 N ATOM 384 CA LEU A 23 -5.876 0.445 7.295 1.00 0.35 C ATOM 385 C LEU A 23 -5.967 -0.298 8.618 1.00 0.37 C ATOM 386 O LEU A 23 -6.538 0.208 9.584 1.00 0.47 O ATOM 387 CB LEU A 23 -7.223 0.316 6.565 1.00 0.59 C ATOM 388 CG LEU A 23 -7.270 0.833 5.125 1.00 0.68 C ATOM 389 CD1 LEU A 23 -6.536 2.156 5.001 1.00 1.69 C ATOM 390 CD2 LEU A 23 -6.703 -0.199 4.164 1.00 1.15 C ATOM 0 H LEU A 23 -4.998 -0.951 6.000 1.00 0.30 H new ATOM 0 HA LEU A 23 -5.671 1.502 7.463 1.00 0.35 H new ATOM 0 HB2 LEU A 23 -7.509 -0.736 6.560 1.00 0.59 H new ATOM 0 HB3 LEU A 23 -7.977 0.849 7.144 1.00 0.59 H new ATOM 0 HG LEU A 23 -8.313 1.004 4.858 1.00 0.68 H new ATOM 0 HD11 LEU A 23 -6.583 2.503 3.969 1.00 1.69 H new ATOM 0 HD12 LEU A 23 -7.003 2.894 5.654 1.00 1.69 H new ATOM 0 HD13 LEU A 23 -5.494 2.023 5.292 1.00 1.69 H new ATOM 0 HD21 LEU A 23 -6.746 0.189 3.146 1.00 1.15 H new ATOM 0 HD22 LEU A 23 -5.667 -0.411 4.428 1.00 1.15 H new ATOM 0 HD23 LEU A 23 -7.289 -1.116 4.228 1.00 1.15 H new ATOM 402 N GLY A 24 -5.410 -1.508 8.635 1.00 0.35 N ATOM 403 CA GLY A 24 -5.450 -2.348 9.817 1.00 0.45 C ATOM 404 C GLY A 24 -5.062 -1.603 11.080 1.00 0.56 C ATOM 405 O GLY A 24 -5.904 -1.379 11.949 1.00 0.70 O ATOM 0 H GLY A 24 -4.926 -1.924 7.839 1.00 0.35 H new ATOM 0 HA2 GLY A 24 -6.454 -2.755 9.934 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -4.777 -3.195 9.679 1.00 0.45 H new ATOM 409 N PRO A 25 -3.787 -1.226 11.227 1.00 0.59 N ATOM 410 CA PRO A 25 -3.340 -0.407 12.346 1.00 0.74 C ATOM 411 C PRO A 25 -3.376 1.096 12.041 1.00 0.75 C ATOM 412 O PRO A 25 -3.401 1.927 12.950 1.00 0.90 O ATOM 413 CB PRO A 25 -1.903 -0.884 12.537 1.00 0.85 C ATOM 414 CG PRO A 25 -1.434 -1.271 11.169 1.00 0.77 C ATOM 415 CD PRO A 25 -2.663 -1.620 10.358 1.00 0.57 C ATOM 0 HA PRO A 25 -3.977 -0.517 13.223 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -1.279 -0.096 12.959 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -1.856 -1.730 13.223 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -0.886 -0.452 10.704 1.00 0.77 H new ATOM 0 HG3 PRO A 25 -0.753 -2.121 11.221 1.00 0.77 H new ATOM 0 HD2 PRO A 25 -2.683 -1.081 9.411 1.00 0.57 H new ATOM 0 HD3 PRO A 25 -2.696 -2.683 10.120 1.00 0.57 H new ATOM 423 N ARG A 26 -3.388 1.439 10.758 1.00 0.64 N ATOM 424 CA ARG A 26 -3.266 2.829 10.339 1.00 0.71 C ATOM 425 C ARG A 26 -4.483 3.315 9.554 1.00 0.59 C ATOM 426 O ARG A 26 -4.344 4.105 8.625 1.00 0.63 O ATOM 427 CB ARG A 26 -1.990 3.034 9.518 1.00 0.88 C ATOM 428 CG ARG A 26 -0.716 2.925 10.339 1.00 1.34 C ATOM 429 CD ARG A 26 0.518 3.276 9.522 1.00 1.33 C ATOM 430 NE ARG A 26 0.491 4.654 9.035 1.00 1.92 N ATOM 431 CZ ARG A 26 1.560 5.448 8.979 1.00 2.49 C ATOM 432 NH1 ARG A 26 2.734 5.024 9.438 1.00 2.67 N ATOM 433 NH2 ARG A 26 1.448 6.669 8.477 1.00 3.43 N ATOM 0 H ARG A 26 -3.481 0.773 9.991 1.00 0.64 H new ATOM 0 HA ARG A 26 -3.210 3.428 11.248 1.00 0.71 H new ATOM 0 HB2 ARG A 26 -1.961 2.296 8.717 1.00 0.88 H new ATOM 0 HB3 ARG A 26 -2.025 4.016 9.046 1.00 0.88 H new ATOM 0 HG2 ARG A 26 -0.782 3.589 11.201 1.00 1.34 H new ATOM 0 HG3 ARG A 26 -0.619 1.910 10.725 1.00 1.34 H new ATOM 0 HD2 ARG A 26 1.409 3.127 10.132 1.00 1.33 H new ATOM 0 HD3 ARG A 26 0.595 2.595 8.674 1.00 1.33 H new ATOM 0 HE ARG A 26 -0.402 5.032 8.718 1.00 1.92 H new ATOM 0 HH11 ARG A 26 2.819 4.088 9.835 1.00 2.67 H new ATOM 0 HH12 ARG A 26 3.550 5.635 9.393 1.00 2.67 H new ATOM 0 HH21 ARG A 26 0.546 6.999 8.135 1.00 3.43 H new ATOM 0 HH22 ARG A 26 2.264 7.279 8.433 1.00 3.43 H new ATOM 447 N GLY A 27 -5.672 2.846 9.915 1.00 0.54 N ATOM 448 CA GLY A 27 -6.889 3.362 9.296 1.00 0.56 C ATOM 449 C GLY A 27 -7.002 4.863 9.462 1.00 0.58 C ATOM 450 O GLY A 27 -7.451 5.584 8.560 1.00 0.56 O ATOM 0 H GLY A 27 -5.820 2.123 10.619 1.00 0.54 H new ATOM 0 HA2 GLY A 27 -6.894 3.111 8.235 1.00 0.56 H new ATOM 0 HA3 GLY A 27 -7.758 2.879 9.742 1.00 0.56 H new ATOM 454 N LEU A 28 -6.563 5.332 10.619 1.00 0.64 N ATOM 455 CA LEU A 28 -6.502 6.757 10.908 1.00 0.68 C ATOM 456 C LEU A 28 -5.657 7.465 9.855 1.00 0.58 C ATOM 457 O LEU A 28 -5.969 8.581 9.446 1.00 0.55 O ATOM 458 CB LEU A 28 -5.913 6.986 12.305 1.00 0.82 C ATOM 459 CG LEU A 28 -5.849 8.445 12.760 1.00 1.46 C ATOM 460 CD1 LEU A 28 -7.244 9.038 12.873 1.00 1.96 C ATOM 461 CD2 LEU A 28 -5.117 8.555 14.087 1.00 2.25 C ATOM 0 H LEU A 28 -6.240 4.738 11.383 1.00 0.64 H new ATOM 0 HA LEU A 28 -7.511 7.168 10.883 1.00 0.68 H new ATOM 0 HB2 LEU A 28 -6.505 6.424 13.027 1.00 0.82 H new ATOM 0 HB3 LEU A 28 -4.905 6.572 12.328 1.00 0.82 H new ATOM 0 HG LEU A 28 -5.298 9.012 12.010 1.00 1.46 H new ATOM 0 HD11 LEU A 28 -7.173 10.076 13.198 1.00 1.96 H new ATOM 0 HD12 LEU A 28 -7.737 8.995 11.902 1.00 1.96 H new ATOM 0 HD13 LEU A 28 -7.823 8.469 13.600 1.00 1.96 H new ATOM 0 HD21 LEU A 28 -5.080 9.599 14.397 1.00 2.25 H new ATOM 0 HD22 LEU A 28 -5.643 7.971 14.842 1.00 2.25 H new ATOM 0 HD23 LEU A 28 -4.102 8.174 13.975 1.00 2.25 H new ATOM 473 N THR A 29 -4.613 6.783 9.401 1.00 0.56 N ATOM 474 CA THR A 29 -3.718 7.309 8.383 1.00 0.52 C ATOM 475 C THR A 29 -4.479 7.638 7.098 1.00 0.42 C ATOM 476 O THR A 29 -4.269 8.694 6.507 1.00 0.41 O ATOM 477 CB THR A 29 -2.553 6.317 8.117 1.00 0.58 C ATOM 478 OG1 THR A 29 -1.313 6.906 8.512 1.00 0.92 O ATOM 479 CG2 THR A 29 -2.475 5.859 6.663 1.00 0.48 C ATOM 0 H THR A 29 -4.365 5.850 9.729 1.00 0.56 H new ATOM 0 HA THR A 29 -3.288 8.240 8.752 1.00 0.52 H new ATOM 0 HB THR A 29 -2.753 5.428 8.715 1.00 0.58 H new ATOM 0 HG1 THR A 29 -1.177 7.742 8.020 1.00 0.92 H new ATOM 0 HG21 THR A 29 -1.641 5.168 6.543 1.00 0.48 H new ATOM 0 HG22 THR A 29 -3.403 5.358 6.389 1.00 0.48 H new ATOM 0 HG23 THR A 29 -2.325 6.724 6.017 1.00 0.48 H new ATOM 487 N ALA A 30 -5.400 6.765 6.703 1.00 0.39 N ATOM 488 CA ALA A 30 -6.181 6.996 5.494 1.00 0.34 C ATOM 489 C ALA A 30 -6.983 8.278 5.636 1.00 0.32 C ATOM 490 O ALA A 30 -7.021 9.115 4.730 1.00 0.28 O ATOM 491 CB ALA A 30 -7.103 5.818 5.215 1.00 0.38 C ATOM 0 H ALA A 30 -5.622 5.900 7.196 1.00 0.39 H new ATOM 0 HA ALA A 30 -5.498 7.097 4.650 1.00 0.34 H new ATOM 0 HB1 ALA A 30 -7.676 6.012 4.308 1.00 0.38 H new ATOM 0 HB2 ALA A 30 -6.508 4.914 5.082 1.00 0.38 H new ATOM 0 HB3 ALA A 30 -7.785 5.683 6.054 1.00 0.38 H new ATOM 497 N LYS A 31 -7.584 8.442 6.807 1.00 0.38 N ATOM 498 CA LYS A 31 -8.374 9.625 7.103 1.00 0.41 C ATOM 499 C LYS A 31 -7.504 10.871 7.191 1.00 0.38 C ATOM 500 O LYS A 31 -7.919 11.952 6.780 1.00 0.39 O ATOM 501 CB LYS A 31 -9.127 9.439 8.417 1.00 0.49 C ATOM 502 CG LYS A 31 -10.313 8.497 8.325 1.00 1.16 C ATOM 503 CD LYS A 31 -11.346 9.011 7.335 1.00 1.63 C ATOM 504 CE LYS A 31 -12.645 8.233 7.429 1.00 2.36 C ATOM 505 NZ LYS A 31 -13.279 8.376 8.768 1.00 3.09 N ATOM 0 H LYS A 31 -7.538 7.766 7.569 1.00 0.38 H new ATOM 0 HA LYS A 31 -9.084 9.759 6.287 1.00 0.41 H new ATOM 0 HB2 LYS A 31 -8.435 9.061 9.169 1.00 0.49 H new ATOM 0 HB3 LYS A 31 -9.476 10.412 8.764 1.00 0.49 H new ATOM 0 HG2 LYS A 31 -9.973 7.508 8.019 1.00 1.16 H new ATOM 0 HG3 LYS A 31 -10.771 8.387 9.308 1.00 1.16 H new ATOM 0 HD2 LYS A 31 -11.539 10.067 7.525 1.00 1.63 H new ATOM 0 HD3 LYS A 31 -10.949 8.937 6.323 1.00 1.63 H new ATOM 0 HE2 LYS A 31 -13.335 8.583 6.661 1.00 2.36 H new ATOM 0 HE3 LYS A 31 -12.453 7.179 7.228 1.00 2.36 H new ATOM 0 HZ1 LYS A 31 -14.288 8.134 8.702 1.00 3.09 H new ATOM 0 HZ2 LYS A 31 -12.813 7.736 9.443 1.00 3.09 H new ATOM 0 HZ3 LYS A 31 -13.179 9.358 9.096 1.00 3.09 H new ATOM 519 N GLN A 32 -6.299 10.723 7.727 1.00 0.38 N ATOM 520 CA GLN A 32 -5.406 11.863 7.882 1.00 0.40 C ATOM 521 C GLN A 32 -5.000 12.400 6.524 1.00 0.32 C ATOM 522 O GLN A 32 -4.979 13.605 6.305 1.00 0.33 O ATOM 523 CB GLN A 32 -4.153 11.493 8.682 1.00 0.47 C ATOM 524 CG GLN A 32 -4.442 11.050 10.107 1.00 0.55 C ATOM 525 CD GLN A 32 -5.334 12.022 10.849 1.00 0.63 C ATOM 526 OE1 GLN A 32 -4.859 12.952 11.500 1.00 0.72 O ATOM 527 NE2 GLN A 32 -6.636 11.813 10.751 1.00 0.64 N ATOM 0 H GLN A 32 -5.921 9.835 8.058 1.00 0.38 H new ATOM 0 HA GLN A 32 -5.948 12.632 8.433 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -3.625 10.693 8.163 1.00 0.47 H new ATOM 0 HB3 GLN A 32 -3.483 12.352 8.708 1.00 0.47 H new ATOM 0 HG2 GLN A 32 -4.916 10.069 10.089 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -3.502 10.940 10.647 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -6.987 11.029 10.200 1.00 0.64 H new ATOM 0 HE22 GLN A 32 -7.290 12.436 11.226 1.00 0.64 H new ATOM 536 N LEU A 33 -4.702 11.496 5.611 1.00 0.28 N ATOM 537 CA LEU A 33 -4.271 11.878 4.280 1.00 0.25 C ATOM 538 C LEU A 33 -5.361 12.647 3.548 1.00 0.21 C ATOM 539 O LEU A 33 -5.085 13.690 2.974 1.00 0.22 O ATOM 540 CB LEU A 33 -3.850 10.636 3.487 1.00 0.28 C ATOM 541 CG LEU A 33 -2.402 10.165 3.699 1.00 0.72 C ATOM 542 CD1 LEU A 33 -2.035 10.115 5.172 1.00 1.20 C ATOM 543 CD2 LEU A 33 -2.186 8.801 3.061 1.00 1.61 C ATOM 0 H LEU A 33 -4.751 10.489 5.767 1.00 0.28 H new ATOM 0 HA LEU A 33 -3.410 12.540 4.374 1.00 0.25 H new ATOM 0 HB2 LEU A 33 -4.520 9.817 3.748 1.00 0.28 H new ATOM 0 HB3 LEU A 33 -3.994 10.840 2.426 1.00 0.28 H new ATOM 0 HG LEU A 33 -1.750 10.893 3.217 1.00 0.72 H new ATOM 0 HD11 LEU A 33 -1.004 9.777 5.279 1.00 1.20 H new ATOM 0 HD12 LEU A 33 -2.138 11.109 5.607 1.00 1.20 H new ATOM 0 HD13 LEU A 33 -2.699 9.422 5.689 1.00 1.20 H new ATOM 0 HD21 LEU A 33 -1.156 8.484 3.221 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -2.863 8.076 3.513 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -2.384 8.864 1.991 1.00 1.61 H new ATOM 555 N GLU A 34 -6.600 12.189 3.615 1.00 0.21 N ATOM 556 CA GLU A 34 -7.668 12.881 2.901 1.00 0.25 C ATOM 557 C GLU A 34 -8.021 14.194 3.577 1.00 0.29 C ATOM 558 O GLU A 34 -8.233 15.211 2.910 1.00 0.33 O ATOM 559 CB GLU A 34 -8.907 12.003 2.729 1.00 0.31 C ATOM 560 CG GLU A 34 -9.365 11.293 3.991 1.00 0.38 C ATOM 561 CD GLU A 34 -10.584 10.428 3.749 1.00 0.54 C ATOM 562 OE1 GLU A 34 -11.711 10.965 3.721 1.00 0.87 O ATOM 563 OE2 GLU A 34 -10.428 9.197 3.611 1.00 0.63 O ATOM 0 H GLU A 34 -6.890 11.364 4.140 1.00 0.21 H new ATOM 0 HA GLU A 34 -7.290 13.104 1.903 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -9.725 12.622 2.360 1.00 0.31 H new ATOM 0 HB3 GLU A 34 -8.702 11.256 1.963 1.00 0.31 H new ATOM 0 HG2 GLU A 34 -8.553 10.675 4.373 1.00 0.38 H new ATOM 0 HG3 GLU A 34 -9.592 12.032 4.760 1.00 0.38 H new ATOM 570 N ALA A 35 -8.053 14.175 4.898 1.00 0.30 N ATOM 571 CA ALA A 35 -8.374 15.365 5.668 1.00 0.36 C ATOM 572 C ALA A 35 -7.299 16.437 5.506 1.00 0.35 C ATOM 573 O ALA A 35 -7.603 17.626 5.385 1.00 0.42 O ATOM 574 CB ALA A 35 -8.557 15.014 7.138 1.00 0.40 C ATOM 0 H ALA A 35 -7.860 13.347 5.461 1.00 0.30 H new ATOM 0 HA ALA A 35 -9.311 15.769 5.284 1.00 0.36 H new ATOM 0 HB1 ALA A 35 -8.797 15.916 7.700 1.00 0.40 H new ATOM 0 HB2 ALA A 35 -9.370 14.295 7.242 1.00 0.40 H new ATOM 0 HB3 ALA A 35 -7.636 14.579 7.526 1.00 0.40 H new ATOM 580 N GLU A 36 -6.044 16.015 5.492 1.00 0.30 N ATOM 581 CA GLU A 36 -4.928 16.951 5.456 1.00 0.34 C ATOM 582 C GLU A 36 -4.503 17.316 4.038 1.00 0.31 C ATOM 583 O GLU A 36 -4.374 18.498 3.718 1.00 0.41 O ATOM 584 CB GLU A 36 -3.733 16.385 6.219 1.00 0.38 C ATOM 585 CG GLU A 36 -3.947 16.324 7.720 1.00 0.74 C ATOM 586 CD GLU A 36 -4.110 17.698 8.331 1.00 1.25 C ATOM 587 OE1 GLU A 36 -3.095 18.413 8.462 1.00 1.69 O ATOM 588 OE2 GLU A 36 -5.254 18.079 8.666 1.00 1.73 O ATOM 0 H GLU A 36 -5.772 15.032 5.505 1.00 0.30 H new ATOM 0 HA GLU A 36 -5.277 17.866 5.935 1.00 0.34 H new ATOM 0 HB2 GLU A 36 -3.518 15.382 5.850 1.00 0.38 H new ATOM 0 HB3 GLU A 36 -2.855 16.997 6.010 1.00 0.38 H new ATOM 0 HG2 GLU A 36 -4.832 15.726 7.935 1.00 0.74 H new ATOM 0 HG3 GLU A 36 -3.100 15.819 8.186 1.00 0.74 H new ATOM 595 N THR A 37 -4.277 16.321 3.183 1.00 0.24 N ATOM 596 CA THR A 37 -3.696 16.594 1.875 1.00 0.26 C ATOM 597 C THR A 37 -4.744 17.098 0.883 1.00 0.28 C ATOM 598 O THR A 37 -4.409 17.741 -0.111 1.00 0.35 O ATOM 599 CB THR A 37 -2.978 15.366 1.265 1.00 0.28 C ATOM 600 OG1 THR A 37 -3.928 14.378 0.853 1.00 0.25 O ATOM 601 CG2 THR A 37 -2.003 14.752 2.260 1.00 0.29 C ATOM 0 H THR A 37 -4.483 15.339 3.368 1.00 0.24 H new ATOM 0 HA THR A 37 -2.954 17.373 2.049 1.00 0.26 H new ATOM 0 HB THR A 37 -2.420 15.710 0.394 1.00 0.28 H new ATOM 0 HG1 THR A 37 -4.251 13.888 1.638 1.00 0.25 H new ATOM 0 HG21 THR A 37 -1.513 13.891 1.805 1.00 0.29 H new ATOM 0 HG22 THR A 37 -1.253 15.492 2.538 1.00 0.29 H new ATOM 0 HG23 THR A 37 -2.545 14.432 3.150 1.00 0.29 H new ATOM 609 N GLY A 38 -6.012 16.808 1.163 1.00 0.28 N ATOM 610 CA GLY A 38 -7.069 17.123 0.219 1.00 0.35 C ATOM 611 C GLY A 38 -7.254 16.007 -0.779 1.00 0.35 C ATOM 612 O GLY A 38 -8.079 16.090 -1.689 1.00 0.44 O ATOM 0 H GLY A 38 -6.325 16.362 2.025 1.00 0.28 H new ATOM 0 HA2 GLY A 38 -8.002 17.293 0.756 1.00 0.35 H new ATOM 0 HA3 GLY A 38 -6.829 18.048 -0.305 1.00 0.35 H new ATOM 616 N CYS A 39 -6.471 14.957 -0.598 1.00 0.29 N ATOM 617 CA CYS A 39 -6.556 13.785 -1.434 1.00 0.26 C ATOM 618 C CYS A 39 -7.166 12.646 -0.672 1.00 0.35 C ATOM 619 O CYS A 39 -6.654 12.238 0.366 1.00 0.73 O ATOM 620 CB CYS A 39 -5.180 13.388 -1.931 1.00 0.37 C ATOM 621 SG CYS A 39 -5.179 11.935 -2.997 1.00 1.29 S ATOM 0 H CYS A 39 -5.762 14.899 0.133 1.00 0.29 H new ATOM 0 HA CYS A 39 -7.187 14.020 -2.291 1.00 0.26 H new ATOM 0 HB2 CYS A 39 -4.746 14.226 -2.476 1.00 0.37 H new ATOM 0 HB3 CYS A 39 -4.536 13.197 -1.073 1.00 0.37 H new ATOM 0 HG CYS A 39 -5.793 10.958 -2.399 1.00 1.29 H new ATOM 627 N LYS A 40 -8.234 12.101 -1.210 1.00 0.28 N ATOM 628 CA LYS A 40 -8.933 11.049 -0.540 1.00 0.27 C ATOM 629 C LYS A 40 -8.298 9.762 -0.996 1.00 0.24 C ATOM 630 O LYS A 40 -8.659 9.211 -2.036 1.00 0.26 O ATOM 631 CB LYS A 40 -10.426 11.105 -0.904 1.00 0.35 C ATOM 632 CG LYS A 40 -11.370 10.403 0.074 1.00 1.07 C ATOM 633 CD LYS A 40 -11.202 8.890 0.074 1.00 1.36 C ATOM 634 CE LYS A 40 -12.359 8.198 0.790 1.00 1.62 C ATOM 635 NZ LYS A 40 -12.570 8.727 2.167 1.00 2.51 N ATOM 0 H LYS A 40 -8.630 12.375 -2.109 1.00 0.28 H new ATOM 0 HA LYS A 40 -8.868 11.138 0.544 1.00 0.27 H new ATOM 0 HB2 LYS A 40 -10.724 12.151 -0.982 1.00 0.35 H new ATOM 0 HB3 LYS A 40 -10.558 10.661 -1.891 1.00 0.35 H new ATOM 0 HG2 LYS A 40 -11.192 10.784 1.080 1.00 1.07 H new ATOM 0 HG3 LYS A 40 -12.400 10.649 -0.183 1.00 1.07 H new ATOM 0 HD2 LYS A 40 -11.141 8.530 -0.953 1.00 1.36 H new ATOM 0 HD3 LYS A 40 -10.263 8.627 0.560 1.00 1.36 H new ATOM 0 HE2 LYS A 40 -13.272 8.328 0.209 1.00 1.62 H new ATOM 0 HE3 LYS A 40 -12.163 7.127 0.841 1.00 1.62 H new ATOM 0 HZ1 LYS A 40 -13.376 8.239 2.607 1.00 2.51 H new ATOM 0 HZ2 LYS A 40 -11.715 8.565 2.736 1.00 2.51 H new ATOM 0 HZ3 LYS A 40 -12.767 9.747 2.121 1.00 2.51 H new ATOM 649 N ILE A 41 -7.319 9.300 -0.247 1.00 0.22 N ATOM 650 CA ILE A 41 -6.660 8.074 -0.605 1.00 0.21 C ATOM 651 C ILE A 41 -7.520 6.913 -0.161 1.00 0.23 C ATOM 652 O ILE A 41 -7.657 6.617 1.026 1.00 0.29 O ATOM 653 CB ILE A 41 -5.235 7.976 -0.016 1.00 0.21 C ATOM 654 CG1 ILE A 41 -4.604 6.622 -0.349 1.00 0.23 C ATOM 655 CG2 ILE A 41 -5.243 8.201 1.490 1.00 0.25 C ATOM 656 CD1 ILE A 41 -3.197 6.468 0.184 1.00 0.25 C ATOM 0 H ILE A 41 -6.970 9.750 0.599 1.00 0.22 H new ATOM 0 HA ILE A 41 -6.537 8.049 -1.688 1.00 0.21 H new ATOM 0 HB ILE A 41 -4.633 8.762 -0.472 1.00 0.21 H new ATOM 0 HG12 ILE A 41 -5.229 5.828 0.060 1.00 0.23 H new ATOM 0 HG13 ILE A 41 -4.591 6.492 -1.431 1.00 0.23 H new ATOM 0 HG21 ILE A 41 -4.226 8.126 1.875 1.00 0.25 H new ATOM 0 HG22 ILE A 41 -5.641 9.192 1.708 1.00 0.25 H new ATOM 0 HG23 ILE A 41 -5.868 7.446 1.967 1.00 0.25 H new ATOM 0 HD11 ILE A 41 -2.810 5.486 -0.088 1.00 0.25 H new ATOM 0 HD12 ILE A 41 -2.559 7.241 -0.245 1.00 0.25 H new ATOM 0 HD13 ILE A 41 -3.206 6.566 1.270 1.00 0.25 H new ATOM 668 N MET A 42 -8.136 6.281 -1.128 1.00 0.20 N ATOM 669 CA MET A 42 -9.061 5.235 -0.849 1.00 0.21 C ATOM 670 C MET A 42 -8.473 3.946 -1.344 1.00 0.20 C ATOM 671 O MET A 42 -7.979 3.860 -2.471 1.00 0.21 O ATOM 672 CB MET A 42 -10.418 5.518 -1.506 1.00 0.26 C ATOM 673 CG MET A 42 -10.360 5.674 -3.021 1.00 0.29 C ATOM 674 SD MET A 42 -11.979 6.007 -3.752 1.00 0.45 S ATOM 675 CE MET A 42 -12.985 4.765 -2.950 1.00 1.43 C ATOM 0 H MET A 42 -8.006 6.482 -2.120 1.00 0.20 H new ATOM 0 HA MET A 42 -9.237 5.167 0.224 1.00 0.21 H new ATOM 0 HB2 MET A 42 -11.103 4.706 -1.262 1.00 0.26 H new ATOM 0 HB3 MET A 42 -10.835 6.428 -1.074 1.00 0.26 H new ATOM 0 HG2 MET A 42 -9.679 6.487 -3.272 1.00 0.29 H new ATOM 0 HG3 MET A 42 -9.948 4.765 -3.460 1.00 0.29 H new ATOM 0 HE1 MET A 42 -13.848 4.537 -3.575 1.00 1.43 H new ATOM 0 HE2 MET A 42 -12.396 3.860 -2.801 1.00 1.43 H new ATOM 0 HE3 MET A 42 -13.325 5.140 -1.985 1.00 1.43 H new ATOM 685 N VAL A 43 -8.503 2.950 -0.503 1.00 0.22 N ATOM 686 CA VAL A 43 -7.960 1.682 -0.867 1.00 0.25 C ATOM 687 C VAL A 43 -8.987 0.939 -1.692 1.00 0.27 C ATOM 688 O VAL A 43 -10.163 0.881 -1.338 1.00 0.41 O ATOM 689 CB VAL A 43 -7.540 0.866 0.364 1.00 0.32 C ATOM 690 CG1 VAL A 43 -6.619 -0.258 -0.051 1.00 0.51 C ATOM 691 CG2 VAL A 43 -6.856 1.759 1.387 1.00 0.79 C ATOM 0 H VAL A 43 -8.898 2.997 0.436 1.00 0.22 H new ATOM 0 HA VAL A 43 -7.055 1.836 -1.455 1.00 0.25 H new ATOM 0 HB VAL A 43 -8.433 0.440 0.822 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -6.326 -0.832 0.828 1.00 0.51 H new ATOM 0 HG12 VAL A 43 -7.136 -0.911 -0.755 1.00 0.51 H new ATOM 0 HG13 VAL A 43 -5.730 0.157 -0.526 1.00 0.51 H new ATOM 0 HG21 VAL A 43 -6.565 1.164 2.253 1.00 0.79 H new ATOM 0 HG22 VAL A 43 -5.969 2.209 0.942 1.00 0.79 H new ATOM 0 HG23 VAL A 43 -7.543 2.545 1.701 1.00 0.79 H new ATOM 701 N ARG A 44 -8.546 0.423 -2.813 1.00 0.29 N ATOM 702 CA ARG A 44 -9.430 -0.209 -3.760 1.00 0.31 C ATOM 703 C ARG A 44 -9.038 -1.656 -3.939 1.00 0.38 C ATOM 704 O ARG A 44 -8.072 -2.116 -3.340 1.00 0.71 O ATOM 705 CB ARG A 44 -9.419 0.534 -5.095 1.00 0.33 C ATOM 706 CG ARG A 44 -10.049 1.911 -5.020 1.00 0.37 C ATOM 707 CD ARG A 44 -10.407 2.444 -6.388 1.00 0.50 C ATOM 708 NE ARG A 44 -11.249 3.628 -6.289 1.00 0.56 N ATOM 709 CZ ARG A 44 -11.812 4.227 -7.336 1.00 0.72 C ATOM 710 NH1 ARG A 44 -11.628 3.745 -8.556 1.00 1.26 N ATOM 711 NH2 ARG A 44 -12.549 5.315 -7.162 1.00 1.10 N ATOM 0 H ARG A 44 -7.565 0.429 -3.094 1.00 0.29 H new ATOM 0 HA ARG A 44 -10.448 -0.170 -3.372 1.00 0.31 H new ATOM 0 HB2 ARG A 44 -8.390 0.631 -5.440 1.00 0.33 H new ATOM 0 HB3 ARG A 44 -9.950 -0.061 -5.838 1.00 0.33 H new ATOM 0 HG2 ARG A 44 -10.946 1.866 -4.402 1.00 0.37 H new ATOM 0 HG3 ARG A 44 -9.359 2.599 -4.532 1.00 0.37 H new ATOM 0 HD2 ARG A 44 -9.497 2.687 -6.936 1.00 0.50 H new ATOM 0 HD3 ARG A 44 -10.926 1.673 -6.957 1.00 0.50 H new ATOM 0 HE ARG A 44 -11.417 4.021 -5.363 1.00 0.56 H new ATOM 0 HH11 ARG A 44 -11.054 2.913 -8.695 1.00 1.26 H new ATOM 0 HH12 ARG A 44 -12.060 4.206 -9.357 1.00 1.26 H new ATOM 0 HH21 ARG A 44 -12.685 5.694 -6.225 1.00 1.10 H new ATOM 0 HH22 ARG A 44 -12.980 5.773 -7.965 1.00 1.10 H new ATOM 725 N GLY A 45 -9.770 -2.368 -4.766 1.00 0.26 N ATOM 726 CA GLY A 45 -9.577 -3.791 -4.849 1.00 0.29 C ATOM 727 C GLY A 45 -10.468 -4.509 -3.865 1.00 0.29 C ATOM 728 O GLY A 45 -11.365 -3.901 -3.275 1.00 0.33 O ATOM 0 H GLY A 45 -10.492 -1.990 -5.380 1.00 0.26 H new ATOM 0 HA2 GLY A 45 -9.794 -4.134 -5.861 1.00 0.29 H new ATOM 0 HA3 GLY A 45 -8.534 -4.034 -4.647 1.00 0.29 H new ATOM 732 N LYS A 46 -10.228 -5.789 -3.677 1.00 0.39 N ATOM 733 CA LYS A 46 -11.072 -6.592 -2.817 1.00 0.50 C ATOM 734 C LYS A 46 -10.628 -6.496 -1.356 1.00 0.50 C ATOM 735 O LYS A 46 -9.501 -6.851 -1.014 1.00 0.62 O ATOM 736 CB LYS A 46 -11.075 -8.050 -3.300 1.00 0.74 C ATOM 737 CG LYS A 46 -9.721 -8.751 -3.236 1.00 0.90 C ATOM 738 CD LYS A 46 -9.475 -9.597 -4.474 1.00 0.94 C ATOM 739 CE LYS A 46 -8.980 -8.742 -5.631 1.00 0.72 C ATOM 740 NZ LYS A 46 -9.119 -9.429 -6.937 1.00 1.45 N ATOM 0 H LYS A 46 -9.455 -6.296 -4.108 1.00 0.39 H new ATOM 0 HA LYS A 46 -12.089 -6.204 -2.871 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -11.789 -8.615 -2.700 1.00 0.74 H new ATOM 0 HB3 LYS A 46 -11.433 -8.076 -4.329 1.00 0.74 H new ATOM 0 HG2 LYS A 46 -8.929 -8.008 -3.138 1.00 0.90 H new ATOM 0 HG3 LYS A 46 -9.678 -9.382 -2.348 1.00 0.90 H new ATOM 0 HD2 LYS A 46 -8.741 -10.371 -4.250 1.00 0.94 H new ATOM 0 HD3 LYS A 46 -10.396 -10.105 -4.761 1.00 0.94 H new ATOM 0 HE2 LYS A 46 -9.539 -7.806 -5.654 1.00 0.72 H new ATOM 0 HE3 LYS A 46 -7.934 -8.484 -5.468 1.00 0.72 H new ATOM 0 HZ1 LYS A 46 -8.769 -8.808 -7.695 1.00 1.45 H new ATOM 0 HZ2 LYS A 46 -8.565 -10.309 -6.927 1.00 1.45 H new ATOM 0 HZ3 LYS A 46 -10.120 -9.652 -7.107 1.00 1.45 H new ATOM 754 N GLY A 47 -11.503 -5.974 -0.500 1.00 0.57 N ATOM 755 CA GLY A 47 -11.243 -6.043 0.926 1.00 0.68 C ATOM 756 C GLY A 47 -11.093 -4.696 1.607 1.00 0.51 C ATOM 757 O GLY A 47 -10.603 -4.625 2.729 1.00 0.60 O ATOM 0 H GLY A 47 -12.373 -5.512 -0.763 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -12.057 -6.588 1.404 1.00 0.68 H new ATOM 0 HA3 GLY A 47 -10.333 -6.621 1.088 1.00 0.68 H new ATOM 761 N SER A 48 -11.531 -3.633 0.953 1.00 0.54 N ATOM 762 CA SER A 48 -11.344 -2.287 1.484 1.00 0.72 C ATOM 763 C SER A 48 -12.247 -2.001 2.694 1.00 1.02 C ATOM 764 O SER A 48 -11.767 -1.718 3.787 1.00 1.43 O ATOM 765 CB SER A 48 -11.648 -1.277 0.385 1.00 0.82 C ATOM 766 OG SER A 48 -11.177 -1.738 -0.870 1.00 1.31 O ATOM 0 H SER A 48 -12.017 -3.672 0.057 1.00 0.54 H new ATOM 0 HA SER A 48 -10.311 -2.204 1.820 1.00 0.72 H new ATOM 0 HB2 SER A 48 -12.723 -1.103 0.333 1.00 0.82 H new ATOM 0 HB3 SER A 48 -11.181 -0.321 0.624 1.00 0.82 H new ATOM 0 HG SER A 48 -11.395 -1.080 -1.563 1.00 1.31 H new ATOM 772 N MET A 49 -13.555 -2.085 2.487 1.00 1.18 N ATOM 773 CA MET A 49 -14.531 -1.693 3.504 1.00 1.58 C ATOM 774 C MET A 49 -15.465 -2.851 3.829 1.00 1.30 C ATOM 775 O MET A 49 -16.633 -2.646 4.141 1.00 1.70 O ATOM 776 CB MET A 49 -15.329 -0.474 3.033 1.00 2.49 C ATOM 777 CG MET A 49 -14.478 0.774 2.842 1.00 3.25 C ATOM 778 SD MET A 49 -15.368 2.128 2.044 1.00 4.35 S ATOM 779 CE MET A 49 -16.644 2.462 3.256 1.00 5.15 C ATOM 0 H MET A 49 -13.970 -2.423 1.619 1.00 1.18 H new ATOM 0 HA MET A 49 -13.993 -1.425 4.413 1.00 1.58 H new ATOM 0 HB2 MET A 49 -15.823 -0.715 2.091 1.00 2.49 H new ATOM 0 HB3 MET A 49 -16.114 -0.261 3.759 1.00 2.49 H new ATOM 0 HG2 MET A 49 -14.114 1.110 3.813 1.00 3.25 H new ATOM 0 HG3 MET A 49 -13.603 0.521 2.244 1.00 3.25 H new ATOM 0 HE1 MET A 49 -17.151 3.393 3.003 1.00 5.15 H new ATOM 0 HE2 MET A 49 -17.365 1.645 3.259 1.00 5.15 H new ATOM 0 HE3 MET A 49 -16.193 2.552 4.244 1.00 5.15 H new ATOM 789 N ARG A 50 -14.927 -4.063 3.748 1.00 0.89 N ATOM 790 CA ARG A 50 -15.694 -5.308 3.909 1.00 1.28 C ATOM 791 C ARG A 50 -16.244 -5.534 5.321 1.00 1.22 C ATOM 792 O ARG A 50 -16.384 -6.679 5.760 1.00 1.55 O ATOM 793 CB ARG A 50 -14.860 -6.503 3.477 1.00 1.65 C ATOM 794 CG ARG A 50 -14.732 -6.605 1.974 1.00 2.14 C ATOM 795 CD ARG A 50 -14.799 -8.048 1.513 1.00 2.26 C ATOM 796 NE ARG A 50 -15.936 -8.766 2.092 1.00 3.05 N ATOM 797 CZ ARG A 50 -16.177 -10.059 1.888 1.00 3.84 C ATOM 798 NH1 ARG A 50 -15.336 -10.785 1.157 1.00 4.04 N ATOM 799 NH2 ARG A 50 -17.240 -10.630 2.445 1.00 4.74 N ATOM 0 H ARG A 50 -13.935 -4.218 3.567 1.00 0.89 H new ATOM 0 HA ARG A 50 -16.565 -5.201 3.262 1.00 1.28 H new ATOM 0 HB2 ARG A 50 -13.866 -6.428 3.919 1.00 1.65 H new ATOM 0 HB3 ARG A 50 -15.312 -7.417 3.863 1.00 1.65 H new ATOM 0 HG2 ARG A 50 -15.528 -6.032 1.499 1.00 2.14 H new ATOM 0 HG3 ARG A 50 -13.788 -6.163 1.656 1.00 2.14 H new ATOM 0 HD2 ARG A 50 -14.870 -8.076 0.426 1.00 2.26 H new ATOM 0 HD3 ARG A 50 -13.874 -8.557 1.785 1.00 2.26 H new ATOM 0 HE ARG A 50 -16.581 -8.245 2.686 1.00 3.05 H new ATOM 0 HH11 ARG A 50 -14.506 -10.351 0.753 1.00 4.04 H new ATOM 0 HH12 ARG A 50 -15.521 -11.776 1.001 1.00 4.04 H new ATOM 0 HH21 ARG A 50 -17.869 -10.077 3.027 1.00 4.74 H new ATOM 0 HH22 ARG A 50 -17.427 -11.621 2.290 1.00 4.74 H new ATOM 813 N ASP A 51 -16.521 -4.455 6.029 1.00 0.99 N ATOM 814 CA ASP A 51 -17.201 -4.519 7.312 1.00 1.15 C ATOM 815 C ASP A 51 -18.513 -5.294 7.139 1.00 1.27 C ATOM 816 O ASP A 51 -19.244 -5.058 6.178 1.00 1.24 O ATOM 817 CB ASP A 51 -17.448 -3.085 7.796 1.00 1.25 C ATOM 818 CG ASP A 51 -18.269 -2.983 9.063 1.00 1.85 C ATOM 819 OD1 ASP A 51 -18.254 -3.956 9.851 1.00 1.97 O ATOM 820 OD2 ASP A 51 -18.947 -1.959 9.265 1.00 2.67 O ATOM 0 H ASP A 51 -16.282 -3.509 5.732 1.00 0.99 H new ATOM 0 HA ASP A 51 -16.599 -5.039 8.058 1.00 1.15 H new ATOM 0 HB2 ASP A 51 -16.486 -2.600 7.962 1.00 1.25 H new ATOM 0 HB3 ASP A 51 -17.953 -2.530 7.005 1.00 1.25 H new ATOM 825 N LYS A 52 -18.791 -6.226 8.052 1.00 1.46 N ATOM 826 CA LYS A 52 -19.877 -7.197 7.864 1.00 1.63 C ATOM 827 C LYS A 52 -21.221 -6.531 7.596 1.00 1.60 C ATOM 828 O LYS A 52 -21.973 -6.948 6.710 1.00 1.65 O ATOM 829 CB LYS A 52 -19.994 -8.117 9.081 1.00 1.89 C ATOM 830 CG LYS A 52 -19.574 -9.554 8.802 1.00 2.13 C ATOM 831 CD LYS A 52 -20.455 -10.207 7.743 1.00 2.73 C ATOM 832 CE LYS A 52 -21.889 -10.381 8.222 1.00 3.39 C ATOM 833 NZ LYS A 52 -21.995 -11.423 9.276 1.00 4.02 N ATOM 0 H LYS A 52 -18.281 -6.331 8.929 1.00 1.46 H new ATOM 0 HA LYS A 52 -19.618 -7.783 6.982 1.00 1.63 H new ATOM 0 HB2 LYS A 52 -19.379 -7.718 9.888 1.00 1.89 H new ATOM 0 HB3 LYS A 52 -21.026 -8.111 9.433 1.00 1.89 H new ATOM 0 HG2 LYS A 52 -18.535 -9.571 8.472 1.00 2.13 H new ATOM 0 HG3 LYS A 52 -19.625 -10.133 9.724 1.00 2.13 H new ATOM 0 HD2 LYS A 52 -20.446 -9.598 6.839 1.00 2.73 H new ATOM 0 HD3 LYS A 52 -20.041 -11.180 7.477 1.00 2.73 H new ATOM 0 HE2 LYS A 52 -22.261 -9.432 8.610 1.00 3.39 H new ATOM 0 HE3 LYS A 52 -22.524 -10.651 7.378 1.00 3.39 H new ATOM 0 HZ1 LYS A 52 -22.998 -11.609 9.480 1.00 4.02 H new ATOM 0 HZ2 LYS A 52 -21.541 -12.298 8.946 1.00 4.02 H new ATOM 0 HZ3 LYS A 52 -21.521 -11.092 10.140 1.00 4.02 H new ATOM 847 N LYS A 53 -21.527 -5.498 8.345 1.00 1.58 N ATOM 848 CA LYS A 53 -22.765 -4.787 8.126 1.00 1.61 C ATOM 849 C LYS A 53 -22.724 -4.091 6.775 1.00 1.43 C ATOM 850 O LYS A 53 -23.699 -4.107 6.039 1.00 1.45 O ATOM 851 CB LYS A 53 -23.041 -3.793 9.259 1.00 1.70 C ATOM 852 CG LYS A 53 -21.884 -2.856 9.566 1.00 1.61 C ATOM 853 CD LYS A 53 -22.183 -1.980 10.772 1.00 1.81 C ATOM 854 CE LYS A 53 -22.493 -2.819 12.003 1.00 2.29 C ATOM 855 NZ LYS A 53 -22.758 -1.975 13.196 1.00 2.51 N ATOM 0 H LYS A 53 -20.946 -5.135 9.101 1.00 1.58 H new ATOM 0 HA LYS A 53 -23.586 -5.504 8.123 1.00 1.61 H new ATOM 0 HB2 LYS A 53 -23.916 -3.197 8.999 1.00 1.70 H new ATOM 0 HB3 LYS A 53 -23.291 -4.350 10.162 1.00 1.70 H new ATOM 0 HG2 LYS A 53 -20.982 -3.439 9.753 1.00 1.61 H new ATOM 0 HG3 LYS A 53 -21.683 -2.227 8.699 1.00 1.61 H new ATOM 0 HD2 LYS A 53 -21.329 -1.334 10.975 1.00 1.81 H new ATOM 0 HD3 LYS A 53 -23.029 -1.329 10.551 1.00 1.81 H new ATOM 0 HE2 LYS A 53 -23.360 -3.449 11.804 1.00 2.29 H new ATOM 0 HE3 LYS A 53 -21.655 -3.485 12.209 1.00 2.29 H new ATOM 0 HZ1 LYS A 53 -22.965 -2.584 14.013 1.00 2.51 H new ATOM 0 HZ2 LYS A 53 -21.922 -1.392 13.402 1.00 2.51 H new ATOM 0 HZ3 LYS A 53 -23.573 -1.357 13.010 1.00 2.51 H new ATOM 869 N LYS A 54 -21.575 -3.526 6.432 1.00 1.31 N ATOM 870 CA LYS A 54 -21.427 -2.810 5.173 1.00 1.17 C ATOM 871 C LYS A 54 -21.790 -3.690 3.984 1.00 1.19 C ATOM 872 O LYS A 54 -22.457 -3.244 3.069 1.00 1.21 O ATOM 873 CB LYS A 54 -20.016 -2.238 5.039 1.00 1.09 C ATOM 874 CG LYS A 54 -19.914 -0.822 5.578 1.00 1.22 C ATOM 875 CD LYS A 54 -18.478 -0.434 5.886 1.00 1.37 C ATOM 876 CE LYS A 54 -18.412 0.816 6.749 1.00 1.53 C ATOM 877 NZ LYS A 54 -19.128 0.642 8.043 1.00 2.16 N ATOM 0 H LYS A 54 -20.733 -3.549 7.007 1.00 1.31 H new ATOM 0 HA LYS A 54 -22.127 -1.975 5.177 1.00 1.17 H new ATOM 0 HB2 LYS A 54 -19.314 -2.879 5.573 1.00 1.09 H new ATOM 0 HB3 LYS A 54 -19.721 -2.247 3.990 1.00 1.09 H new ATOM 0 HG2 LYS A 54 -20.330 -0.126 4.850 1.00 1.22 H new ATOM 0 HG3 LYS A 54 -20.516 -0.734 6.483 1.00 1.22 H new ATOM 0 HD2 LYS A 54 -17.979 -1.257 6.397 1.00 1.37 H new ATOM 0 HD3 LYS A 54 -17.938 -0.263 4.955 1.00 1.37 H new ATOM 0 HE2 LYS A 54 -17.369 1.067 6.943 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -18.846 1.655 6.205 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -18.731 1.293 8.750 1.00 2.16 H new ATOM 0 HZ2 LYS A 54 -20.139 0.849 7.911 1.00 2.16 H new ATOM 0 HZ3 LYS A 54 -19.015 -0.338 8.373 1.00 2.16 H new ATOM 891 N GLU A 55 -21.399 -4.946 4.011 1.00 1.26 N ATOM 892 CA GLU A 55 -21.767 -5.860 2.936 1.00 1.33 C ATOM 893 C GLU A 55 -23.244 -6.234 2.996 1.00 1.46 C ATOM 894 O GLU A 55 -23.817 -6.697 2.015 1.00 1.53 O ATOM 895 CB GLU A 55 -20.895 -7.112 2.944 1.00 1.44 C ATOM 896 CG GLU A 55 -20.386 -7.492 4.314 1.00 1.58 C ATOM 897 CD GLU A 55 -19.830 -8.900 4.345 1.00 1.79 C ATOM 898 OE1 GLU A 55 -20.606 -9.847 4.593 1.00 1.96 O ATOM 899 OE2 GLU A 55 -18.612 -9.069 4.149 1.00 2.05 O ATOM 0 H GLU A 55 -20.834 -5.360 4.752 1.00 1.26 H new ATOM 0 HA GLU A 55 -21.593 -5.333 1.998 1.00 1.33 H new ATOM 0 HB2 GLU A 55 -21.468 -7.945 2.536 1.00 1.44 H new ATOM 0 HB3 GLU A 55 -20.044 -6.955 2.281 1.00 1.44 H new ATOM 0 HG2 GLU A 55 -19.610 -6.790 4.620 1.00 1.58 H new ATOM 0 HG3 GLU A 55 -21.196 -7.407 5.038 1.00 1.58 H new ATOM 906 N GLU A 56 -23.845 -6.065 4.153 1.00 1.51 N ATOM 907 CA GLU A 56 -25.274 -6.295 4.294 1.00 1.64 C ATOM 908 C GLU A 56 -26.096 -5.163 3.660 1.00 1.57 C ATOM 909 O GLU A 56 -26.867 -5.405 2.733 1.00 1.62 O ATOM 910 CB GLU A 56 -25.649 -6.478 5.764 1.00 1.78 C ATOM 911 CG GLU A 56 -25.145 -7.787 6.354 1.00 1.87 C ATOM 912 CD GLU A 56 -25.768 -8.999 5.687 1.00 2.05 C ATOM 913 OE1 GLU A 56 -26.939 -9.309 5.991 1.00 2.33 O ATOM 914 OE2 GLU A 56 -25.098 -9.653 4.860 1.00 2.40 O ATOM 0 H GLU A 56 -23.373 -5.771 5.008 1.00 1.51 H new ATOM 0 HA GLU A 56 -25.513 -7.214 3.758 1.00 1.64 H new ATOM 0 HB2 GLU A 56 -25.244 -5.647 6.342 1.00 1.78 H new ATOM 0 HB3 GLU A 56 -26.734 -6.436 5.863 1.00 1.78 H new ATOM 0 HG2 GLU A 56 -24.061 -7.836 6.251 1.00 1.87 H new ATOM 0 HG3 GLU A 56 -25.365 -7.810 7.421 1.00 1.87 H new ATOM 921 N GLN A 57 -25.948 -3.931 4.148 1.00 1.48 N ATOM 922 CA GLN A 57 -26.772 -2.828 3.641 1.00 1.47 C ATOM 923 C GLN A 57 -25.977 -1.865 2.753 1.00 1.36 C ATOM 924 O GLN A 57 -26.502 -1.356 1.765 1.00 1.40 O ATOM 925 CB GLN A 57 -27.474 -2.064 4.778 1.00 1.55 C ATOM 926 CG GLN A 57 -26.554 -1.239 5.664 1.00 1.59 C ATOM 927 CD GLN A 57 -25.674 -2.090 6.545 1.00 1.75 C ATOM 928 OE1 GLN A 57 -26.078 -3.159 7.001 1.00 2.37 O ATOM 929 NE2 GLN A 57 -24.457 -1.633 6.778 1.00 1.85 N ATOM 0 H GLN A 57 -25.282 -3.673 4.876 1.00 1.48 H new ATOM 0 HA GLN A 57 -27.541 -3.287 3.020 1.00 1.47 H new ATOM 0 HB2 GLN A 57 -28.223 -1.402 4.342 1.00 1.55 H new ATOM 0 HB3 GLN A 57 -28.007 -2.781 5.402 1.00 1.55 H new ATOM 0 HG2 GLN A 57 -25.928 -0.604 5.038 1.00 1.59 H new ATOM 0 HG3 GLN A 57 -27.155 -0.578 6.288 1.00 1.59 H new ATOM 0 HE21 GLN A 57 -24.162 -0.741 6.380 1.00 1.85 H new ATOM 0 HE22 GLN A 57 -23.812 -2.172 7.356 1.00 1.85 H new ATOM 938 N ASN A 58 -24.710 -1.628 3.091 1.00 1.27 N ATOM 939 CA ASN A 58 -23.872 -0.706 2.316 1.00 1.21 C ATOM 940 C ASN A 58 -23.316 -1.406 1.082 1.00 1.16 C ATOM 941 O ASN A 58 -22.483 -0.855 0.362 1.00 1.13 O ATOM 942 CB ASN A 58 -22.703 -0.162 3.149 1.00 1.21 C ATOM 943 CG ASN A 58 -23.123 0.780 4.264 1.00 1.55 C ATOM 944 OD1 ASN A 58 -24.169 0.613 4.887 1.00 2.20 O ATOM 945 ND2 ASN A 58 -22.304 1.790 4.515 1.00 1.95 N ATOM 0 H ASN A 58 -24.242 -2.057 3.889 1.00 1.27 H new ATOM 0 HA ASN A 58 -24.505 0.130 2.018 1.00 1.21 H new ATOM 0 HB2 ASN A 58 -22.158 -1.001 3.582 1.00 1.21 H new ATOM 0 HB3 ASN A 58 -22.011 0.360 2.488 1.00 1.21 H new ATOM 0 HD21 ASN A 58 -22.533 2.462 5.247 1.00 1.95 H new ATOM 0 HD22 ASN A 58 -21.444 1.895 3.976 1.00 1.95 H new ATOM 952 N ARG A 59 -23.750 -2.645 0.882 1.00 1.20 N ATOM 953 CA ARG A 59 -23.300 -3.463 -0.232 1.00 1.22 C ATOM 954 C ARG A 59 -23.555 -2.774 -1.564 1.00 1.19 C ATOM 955 O ARG A 59 -24.500 -2.001 -1.714 1.00 1.24 O ATOM 956 CB ARG A 59 -23.997 -4.821 -0.227 1.00 1.36 C ATOM 957 CG ARG A 59 -25.493 -4.754 -0.497 1.00 1.47 C ATOM 958 CD ARG A 59 -26.140 -6.123 -0.387 1.00 1.69 C ATOM 959 NE ARG A 59 -25.495 -7.107 -1.257 1.00 2.08 N ATOM 960 CZ ARG A 59 -25.254 -8.365 -0.893 1.00 2.67 C ATOM 961 NH1 ARG A 59 -25.581 -8.778 0.326 1.00 2.95 N ATOM 962 NH2 ARG A 59 -24.680 -9.205 -1.740 1.00 3.45 N ATOM 0 H ARG A 59 -24.425 -3.109 1.490 1.00 1.20 H new ATOM 0 HA ARG A 59 -22.227 -3.608 -0.110 1.00 1.22 H new ATOM 0 HB2 ARG A 59 -23.532 -5.459 -0.978 1.00 1.36 H new ATOM 0 HB3 ARG A 59 -23.834 -5.297 0.740 1.00 1.36 H new ATOM 0 HG2 ARG A 59 -25.961 -4.071 0.212 1.00 1.47 H new ATOM 0 HG3 ARG A 59 -25.666 -4.348 -1.493 1.00 1.47 H new ATOM 0 HD2 ARG A 59 -26.090 -6.465 0.647 1.00 1.69 H new ATOM 0 HD3 ARG A 59 -27.196 -6.047 -0.647 1.00 1.69 H new ATOM 0 HE ARG A 59 -25.215 -6.813 -2.193 1.00 2.08 H new ATOM 0 HH11 ARG A 59 -26.017 -8.132 0.984 1.00 2.95 H new ATOM 0 HH12 ARG A 59 -25.396 -9.742 0.605 1.00 2.95 H new ATOM 0 HH21 ARG A 59 -24.421 -8.889 -2.675 1.00 3.45 H new ATOM 0 HH22 ARG A 59 -24.497 -10.168 -1.458 1.00 3.45 H new ATOM 976 N GLY A 60 -22.701 -3.062 -2.524 1.00 1.15 N ATOM 977 CA GLY A 60 -22.859 -2.502 -3.851 1.00 1.15 C ATOM 978 C GLY A 60 -22.231 -1.130 -3.977 1.00 1.07 C ATOM 979 O GLY A 60 -22.026 -0.636 -5.084 1.00 1.09 O ATOM 0 H GLY A 60 -21.895 -3.677 -2.412 1.00 1.15 H new ATOM 0 HA2 GLY A 60 -22.408 -3.173 -4.582 1.00 1.15 H new ATOM 0 HA3 GLY A 60 -23.920 -2.436 -4.091 1.00 1.15 H new ATOM 983 N LYS A 61 -21.926 -0.514 -2.842 1.00 1.00 N ATOM 984 CA LYS A 61 -21.335 0.817 -2.826 1.00 0.95 C ATOM 985 C LYS A 61 -19.845 0.755 -3.165 1.00 0.80 C ATOM 986 O LYS A 61 -19.285 -0.332 -3.202 1.00 0.77 O ATOM 987 CB LYS A 61 -21.582 1.508 -1.479 1.00 1.04 C ATOM 988 CG LYS A 61 -22.956 2.167 -1.371 1.00 1.55 C ATOM 989 CD LYS A 61 -24.083 1.144 -1.342 1.00 2.06 C ATOM 990 CE LYS A 61 -25.443 1.789 -1.554 1.00 2.55 C ATOM 991 NZ LYS A 61 -25.594 2.297 -2.941 1.00 3.16 N ATOM 0 H LYS A 61 -22.079 -0.917 -1.918 1.00 1.00 H new ATOM 0 HA LYS A 61 -21.821 1.418 -3.595 1.00 0.95 H new ATOM 0 HB2 LYS A 61 -21.476 0.775 -0.680 1.00 1.04 H new ATOM 0 HB3 LYS A 61 -20.813 2.264 -1.322 1.00 1.04 H new ATOM 0 HG2 LYS A 61 -22.996 2.775 -0.467 1.00 1.55 H new ATOM 0 HG3 LYS A 61 -23.101 2.841 -2.215 1.00 1.55 H new ATOM 0 HD2 LYS A 61 -23.913 0.395 -2.115 1.00 2.06 H new ATOM 0 HD3 LYS A 61 -24.074 0.622 -0.385 1.00 2.06 H new ATOM 0 HE2 LYS A 61 -26.228 1.063 -1.344 1.00 2.55 H new ATOM 0 HE3 LYS A 61 -25.571 2.610 -0.849 1.00 2.55 H new ATOM 0 HZ1 LYS A 61 -26.599 2.480 -3.136 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 -25.054 3.179 -3.048 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 -25.235 1.588 -3.611 1.00 3.16 H new ATOM 1005 N PRO A 62 -19.214 1.919 -3.481 1.00 0.77 N ATOM 1006 CA PRO A 62 -17.799 2.056 -3.874 1.00 0.66 C ATOM 1007 C PRO A 62 -16.828 0.994 -3.337 1.00 0.58 C ATOM 1008 O PRO A 62 -15.889 0.616 -4.032 1.00 0.51 O ATOM 1009 CB PRO A 62 -17.452 3.424 -3.291 1.00 0.70 C ATOM 1010 CG PRO A 62 -18.712 4.223 -3.419 1.00 0.81 C ATOM 1011 CD PRO A 62 -19.860 3.242 -3.545 1.00 0.85 C ATOM 0 HA PRO A 62 -17.691 1.936 -4.952 1.00 0.66 H new ATOM 0 HB2 PRO A 62 -17.139 3.343 -2.250 1.00 0.70 H new ATOM 0 HB3 PRO A 62 -16.631 3.890 -3.836 1.00 0.70 H new ATOM 0 HG2 PRO A 62 -18.849 4.865 -2.549 1.00 0.81 H new ATOM 0 HG3 PRO A 62 -18.666 4.875 -4.292 1.00 0.81 H new ATOM 0 HD2 PRO A 62 -20.584 3.371 -2.741 1.00 0.85 H new ATOM 0 HD3 PRO A 62 -20.398 3.377 -4.483 1.00 0.85 H new ATOM 1019 N ASN A 63 -17.071 0.487 -2.139 1.00 0.64 N ATOM 1020 CA ASN A 63 -16.189 -0.512 -1.539 1.00 0.63 C ATOM 1021 C ASN A 63 -16.282 -1.808 -2.307 1.00 0.56 C ATOM 1022 O ASN A 63 -15.286 -2.498 -2.519 1.00 0.51 O ATOM 1023 CB ASN A 63 -16.488 -0.771 -0.046 1.00 0.79 C ATOM 1024 CG ASN A 63 -17.864 -0.349 0.470 1.00 1.09 C ATOM 1025 OD1 ASN A 63 -18.312 0.846 0.131 1.00 1.93 O flip ATOM 1026 ND2 ASN A 63 -18.482 -1.071 1.244 1.00 1.06 N flip ATOM 0 H ASN A 63 -17.869 0.748 -1.560 1.00 0.64 H new ATOM 0 HA ASN A 63 -15.178 -0.108 -1.595 1.00 0.63 H new ATOM 0 HB2 ASN A 63 -16.368 -1.838 0.143 1.00 0.79 H new ATOM 0 HB3 ASN A 63 -15.732 -0.255 0.545 1.00 0.79 H new ATOM 0 HD21 ASN A 63 -18.113 -1.990 1.489 1.00 1.06 H new ATOM 0 HD22 ASN A 63 -19.365 -0.753 1.643 1.00 1.06 H new ATOM 1033 N TRP A 64 -17.480 -2.112 -2.736 1.00 0.61 N ATOM 1034 CA TRP A 64 -17.750 -3.290 -3.519 1.00 0.62 C ATOM 1035 C TRP A 64 -17.616 -2.951 -4.987 1.00 0.60 C ATOM 1036 O TRP A 64 -17.441 -3.825 -5.827 1.00 0.66 O ATOM 1037 CB TRP A 64 -19.144 -3.806 -3.193 1.00 0.78 C ATOM 1038 CG TRP A 64 -19.383 -3.761 -1.728 1.00 0.88 C ATOM 1039 CD1 TRP A 64 -20.094 -2.824 -1.049 1.00 1.00 C ATOM 1040 CD2 TRP A 64 -18.848 -4.652 -0.753 1.00 0.93 C ATOM 1041 NE1 TRP A 64 -20.055 -3.086 0.289 1.00 1.09 N ATOM 1042 CE2 TRP A 64 -19.289 -4.204 0.501 1.00 1.05 C ATOM 1043 CE3 TRP A 64 -18.046 -5.791 -0.821 1.00 0.96 C ATOM 1044 CZ2 TRP A 64 -18.944 -4.852 1.679 1.00 1.16 C ATOM 1045 CZ3 TRP A 64 -17.707 -6.434 0.348 1.00 1.10 C ATOM 1046 CH2 TRP A 64 -18.156 -5.962 1.583 1.00 1.18 C ATOM 0 H TRP A 64 -18.305 -1.542 -2.549 1.00 0.61 H new ATOM 0 HA TRP A 64 -17.034 -4.077 -3.281 1.00 0.62 H new ATOM 0 HB2 TRP A 64 -19.892 -3.203 -3.709 1.00 0.78 H new ATOM 0 HB3 TRP A 64 -19.254 -4.828 -3.555 1.00 0.78 H new ATOM 0 HD1 TRP A 64 -20.614 -1.993 -1.502 1.00 1.00 H new ATOM 0 HE1 TRP A 64 -20.520 -2.539 1.014 1.00 1.09 H new ATOM 0 HE3 TRP A 64 -17.697 -6.162 -1.774 1.00 0.96 H new ATOM 0 HZ2 TRP A 64 -19.287 -4.491 2.637 1.00 1.16 H new ATOM 0 HZ3 TRP A 64 -17.085 -7.316 0.309 1.00 1.10 H new ATOM 0 HH2 TRP A 64 -17.873 -6.488 2.483 1.00 1.18 H new ATOM 1057 N GLU A 65 -17.701 -1.660 -5.273 1.00 0.57 N ATOM 1058 CA GLU A 65 -17.493 -1.147 -6.612 1.00 0.55 C ATOM 1059 C GLU A 65 -16.079 -1.456 -7.087 1.00 0.48 C ATOM 1060 O GLU A 65 -15.875 -2.114 -8.106 1.00 0.51 O ATOM 1061 CB GLU A 65 -17.726 0.358 -6.636 1.00 0.59 C ATOM 1062 CG GLU A 65 -17.245 1.025 -7.910 1.00 0.69 C ATOM 1063 CD GLU A 65 -17.294 2.534 -7.826 1.00 1.11 C ATOM 1064 OE1 GLU A 65 -16.406 3.120 -7.175 1.00 1.28 O ATOM 1065 OE2 GLU A 65 -18.217 3.136 -8.405 1.00 1.59 O ATOM 0 H GLU A 65 -17.916 -0.942 -4.581 1.00 0.57 H new ATOM 0 HA GLU A 65 -18.203 -1.632 -7.282 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -18.791 0.555 -6.512 1.00 0.59 H new ATOM 0 HB3 GLU A 65 -17.217 0.810 -5.784 1.00 0.59 H new ATOM 0 HG2 GLU A 65 -16.223 0.709 -8.119 1.00 0.69 H new ATOM 0 HG3 GLU A 65 -17.859 0.690 -8.746 1.00 0.69 H new ATOM 1072 N HIS A 66 -15.096 -0.982 -6.335 1.00 0.43 N ATOM 1073 CA HIS A 66 -13.706 -1.212 -6.682 1.00 0.38 C ATOM 1074 C HIS A 66 -13.235 -2.576 -6.198 1.00 0.36 C ATOM 1075 O HIS A 66 -12.089 -2.953 -6.415 1.00 0.35 O ATOM 1076 CB HIS A 66 -12.813 -0.106 -6.116 1.00 0.38 C ATOM 1077 CG HIS A 66 -12.902 0.083 -4.636 1.00 0.40 C ATOM 1078 ND1 HIS A 66 -13.235 1.281 -4.050 1.00 0.47 N ATOM 1079 CD2 HIS A 66 -12.631 -0.764 -3.627 1.00 0.40 C ATOM 1080 CE1 HIS A 66 -13.159 1.159 -2.738 1.00 0.52 C ATOM 1081 NE2 HIS A 66 -12.791 -0.077 -2.453 1.00 0.47 N ATOM 0 H HIS A 66 -15.237 -0.438 -5.484 1.00 0.43 H new ATOM 0 HA HIS A 66 -13.630 -1.195 -7.769 1.00 0.38 H new ATOM 0 HB2 HIS A 66 -11.778 -0.326 -6.377 1.00 0.38 H new ATOM 0 HB3 HIS A 66 -13.072 0.834 -6.603 1.00 0.38 H new ATOM 0 HD1 HIS A 66 -13.499 2.130 -4.550 1.00 0.47 H new ATOM 0 HD2 HIS A 66 -12.340 -1.799 -3.725 1.00 0.40 H new ATOM 0 HE1 HIS A 66 -13.363 1.938 -2.019 1.00 0.52 H new ATOM 1090 N LEU A 67 -14.123 -3.314 -5.540 1.00 0.38 N ATOM 1091 CA LEU A 67 -13.802 -4.660 -5.077 1.00 0.40 C ATOM 1092 C LEU A 67 -13.684 -5.601 -6.268 1.00 0.41 C ATOM 1093 O LEU A 67 -13.177 -6.716 -6.157 1.00 0.43 O ATOM 1094 CB LEU A 67 -14.865 -5.159 -4.091 1.00 0.48 C ATOM 1095 CG LEU A 67 -14.619 -6.548 -3.498 1.00 0.71 C ATOM 1096 CD1 LEU A 67 -14.783 -6.514 -1.988 1.00 1.01 C ATOM 1097 CD2 LEU A 67 -15.569 -7.567 -4.113 1.00 1.59 C ATOM 0 H LEU A 67 -15.068 -3.004 -5.316 1.00 0.38 H new ATOM 0 HA LEU A 67 -12.846 -4.636 -4.555 1.00 0.40 H new ATOM 0 HB2 LEU A 67 -14.940 -4.443 -3.273 1.00 0.48 H new ATOM 0 HB3 LEU A 67 -15.830 -5.166 -4.598 1.00 0.48 H new ATOM 0 HG LEU A 67 -13.597 -6.847 -3.730 1.00 0.71 H new ATOM 0 HD11 LEU A 67 -14.605 -7.509 -1.580 1.00 1.01 H new ATOM 0 HD12 LEU A 67 -14.067 -5.813 -1.560 1.00 1.01 H new ATOM 0 HD13 LEU A 67 -15.795 -6.196 -1.739 1.00 1.01 H new ATOM 0 HD21 LEU A 67 -15.380 -8.549 -3.679 1.00 1.59 H new ATOM 0 HD22 LEU A 67 -16.599 -7.273 -3.910 1.00 1.59 H new ATOM 0 HD23 LEU A 67 -15.409 -7.609 -5.190 1.00 1.59 H new ATOM 1109 N ASN A 68 -14.129 -5.121 -7.420 1.00 0.43 N ATOM 1110 CA ASN A 68 -14.053 -5.894 -8.653 1.00 0.47 C ATOM 1111 C ASN A 68 -12.702 -5.676 -9.316 1.00 0.44 C ATOM 1112 O ASN A 68 -12.420 -6.217 -10.386 1.00 0.52 O ATOM 1113 CB ASN A 68 -15.189 -5.498 -9.604 1.00 0.57 C ATOM 1114 CG ASN A 68 -16.546 -5.601 -8.936 1.00 0.84 C ATOM 1115 OD1 ASN A 68 -17.178 -6.655 -8.939 1.00 1.86 O ATOM 1116 ND2 ASN A 68 -17.012 -4.496 -8.371 1.00 0.58 N ATOM 0 H ASN A 68 -14.548 -4.197 -7.528 1.00 0.43 H new ATOM 0 HA ASN A 68 -14.161 -6.952 -8.415 1.00 0.47 H new ATOM 0 HB2 ASN A 68 -15.032 -4.477 -9.952 1.00 0.57 H new ATOM 0 HB3 ASN A 68 -15.167 -6.141 -10.484 1.00 0.57 H new ATOM 0 HD21 ASN A 68 -17.926 -4.501 -7.918 1.00 0.58 H new ATOM 0 HD22 ASN A 68 -16.457 -3.641 -8.390 1.00 0.58 H new ATOM 1123 N GLU A 69 -11.873 -4.877 -8.663 1.00 0.37 N ATOM 1124 CA GLU A 69 -10.508 -4.643 -9.104 1.00 0.37 C ATOM 1125 C GLU A 69 -9.548 -5.460 -8.248 1.00 0.32 C ATOM 1126 O GLU A 69 -9.971 -6.225 -7.378 1.00 0.35 O ATOM 1127 CB GLU A 69 -10.153 -3.160 -8.972 1.00 0.38 C ATOM 1128 CG GLU A 69 -11.094 -2.220 -9.706 1.00 0.45 C ATOM 1129 CD GLU A 69 -10.707 -0.766 -9.520 1.00 1.07 C ATOM 1130 OE1 GLU A 69 -10.924 -0.224 -8.419 1.00 1.85 O ATOM 1131 OE2 GLU A 69 -10.177 -0.153 -10.467 1.00 1.39 O ATOM 0 H GLU A 69 -12.128 -4.373 -7.813 1.00 0.37 H new ATOM 0 HA GLU A 69 -10.423 -4.941 -10.149 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -10.145 -2.894 -7.915 1.00 0.38 H new ATOM 0 HB3 GLU A 69 -9.141 -3.007 -9.347 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -11.092 -2.462 -10.769 1.00 0.45 H new ATOM 0 HG3 GLU A 69 -12.112 -2.373 -9.347 1.00 0.45 H new ATOM 1138 N ASP A 70 -8.260 -5.294 -8.487 1.00 0.32 N ATOM 1139 CA ASP A 70 -7.252 -5.912 -7.640 1.00 0.30 C ATOM 1140 C ASP A 70 -6.881 -4.950 -6.531 1.00 0.22 C ATOM 1141 O ASP A 70 -6.873 -3.739 -6.750 1.00 0.24 O ATOM 1142 CB ASP A 70 -6.005 -6.308 -8.426 1.00 0.41 C ATOM 1143 CG ASP A 70 -5.356 -7.552 -7.853 1.00 0.63 C ATOM 1144 OD1 ASP A 70 -6.007 -8.615 -7.823 1.00 1.21 O ATOM 1145 OD2 ASP A 70 -4.180 -7.464 -7.434 1.00 1.10 O ATOM 0 H ASP A 70 -7.887 -4.739 -9.257 1.00 0.32 H new ATOM 0 HA ASP A 70 -7.673 -6.827 -7.223 1.00 0.30 H new ATOM 0 HB2 ASP A 70 -6.272 -6.483 -9.468 1.00 0.41 H new ATOM 0 HB3 ASP A 70 -5.290 -5.485 -8.414 1.00 0.41 H new ATOM 1150 N LEU A 71 -6.620 -5.481 -5.341 1.00 0.19 N ATOM 1151 CA LEU A 71 -6.338 -4.657 -4.168 1.00 0.17 C ATOM 1152 C LEU A 71 -5.224 -3.654 -4.468 1.00 0.17 C ATOM 1153 O LEU A 71 -4.102 -4.020 -4.797 1.00 0.20 O ATOM 1154 CB LEU A 71 -5.951 -5.554 -2.984 1.00 0.19 C ATOM 1155 CG LEU A 71 -5.460 -4.836 -1.723 1.00 0.41 C ATOM 1156 CD1 LEU A 71 -6.435 -3.751 -1.299 1.00 0.90 C ATOM 1157 CD2 LEU A 71 -5.267 -5.838 -0.596 1.00 0.79 C ATOM 0 H LEU A 71 -6.598 -6.485 -5.162 1.00 0.19 H new ATOM 0 HA LEU A 71 -7.236 -4.096 -3.908 1.00 0.17 H new ATOM 0 HB2 LEU A 71 -6.816 -6.161 -2.717 1.00 0.19 H new ATOM 0 HB3 LEU A 71 -5.170 -6.239 -3.314 1.00 0.19 H new ATOM 0 HG LEU A 71 -4.504 -4.363 -1.949 1.00 0.41 H new ATOM 0 HD11 LEU A 71 -6.062 -3.257 -0.402 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -6.536 -3.019 -2.100 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -7.407 -4.197 -1.090 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -4.918 -5.319 0.297 1.00 0.79 H new ATOM 0 HD22 LEU A 71 -6.215 -6.331 -0.381 1.00 0.79 H new ATOM 0 HD23 LEU A 71 -4.530 -6.583 -0.894 1.00 0.79 H new ATOM 1169 N HIS A 72 -5.562 -2.381 -4.413 1.00 0.17 N ATOM 1170 CA HIS A 72 -4.593 -1.336 -4.670 1.00 0.17 C ATOM 1171 C HIS A 72 -4.891 -0.118 -3.819 1.00 0.17 C ATOM 1172 O HIS A 72 -5.985 0.014 -3.282 1.00 0.21 O ATOM 1173 CB HIS A 72 -4.562 -0.973 -6.159 1.00 0.20 C ATOM 1174 CG HIS A 72 -5.836 -0.403 -6.724 1.00 0.23 C ATOM 1175 ND1 HIS A 72 -6.781 -1.186 -7.337 1.00 0.29 N ATOM 1176 CD2 HIS A 72 -6.282 0.876 -6.844 1.00 0.25 C ATOM 1177 CE1 HIS A 72 -7.743 -0.428 -7.818 1.00 0.32 C ATOM 1178 NE2 HIS A 72 -7.470 0.832 -7.537 1.00 0.29 N ATOM 0 H HIS A 72 -6.500 -2.046 -4.193 1.00 0.17 H new ATOM 0 HA HIS A 72 -3.605 -1.709 -4.399 1.00 0.17 H new ATOM 0 HB2 HIS A 72 -3.761 -0.252 -6.321 1.00 0.20 H new ATOM 0 HB3 HIS A 72 -4.304 -1.868 -6.726 1.00 0.20 H new ATOM 0 HD1 HIS A 72 -6.744 -2.203 -7.409 1.00 0.29 H new ATOM 0 HD2 HIS A 72 -5.794 1.762 -6.466 1.00 0.25 H new ATOM 0 HE1 HIS A 72 -8.612 -0.779 -8.354 1.00 0.32 H new ATOM 1187 N VAL A 73 -3.940 0.785 -3.729 1.00 0.19 N ATOM 1188 CA VAL A 73 -4.125 1.995 -2.945 1.00 0.19 C ATOM 1189 C VAL A 73 -4.185 3.179 -3.883 1.00 0.20 C ATOM 1190 O VAL A 73 -3.300 3.378 -4.709 1.00 0.28 O ATOM 1191 CB VAL A 73 -3.020 2.202 -1.880 1.00 0.23 C ATOM 1192 CG1 VAL A 73 -3.181 1.195 -0.751 1.00 0.27 C ATOM 1193 CG2 VAL A 73 -1.633 2.089 -2.494 1.00 0.29 C ATOM 0 H VAL A 73 -3.031 0.709 -4.186 1.00 0.19 H new ATOM 0 HA VAL A 73 -5.060 1.896 -2.394 1.00 0.19 H new ATOM 0 HB VAL A 73 -3.127 3.209 -1.476 1.00 0.23 H new ATOM 0 HG11 VAL A 73 -2.398 1.352 -0.009 1.00 0.27 H new ATOM 0 HG12 VAL A 73 -4.156 1.327 -0.282 1.00 0.27 H new ATOM 0 HG13 VAL A 73 -3.104 0.184 -1.151 1.00 0.27 H new ATOM 0 HG21 VAL A 73 -0.879 2.239 -1.721 1.00 0.29 H new ATOM 0 HG22 VAL A 73 -1.509 1.099 -2.934 1.00 0.29 H new ATOM 0 HG23 VAL A 73 -1.515 2.847 -3.268 1.00 0.29 H new ATOM 1203 N LEU A 74 -5.252 3.935 -3.799 1.00 0.18 N ATOM 1204 CA LEU A 74 -5.476 4.999 -4.744 1.00 0.18 C ATOM 1205 C LEU A 74 -5.656 6.331 -4.057 1.00 0.18 C ATOM 1206 O LEU A 74 -6.589 6.540 -3.287 1.00 0.19 O ATOM 1207 CB LEU A 74 -6.677 4.656 -5.635 1.00 0.22 C ATOM 1208 CG LEU A 74 -7.402 5.841 -6.276 1.00 0.37 C ATOM 1209 CD1 LEU A 74 -6.453 6.738 -7.030 1.00 1.10 C ATOM 1210 CD2 LEU A 74 -8.504 5.348 -7.187 1.00 0.80 C ATOM 0 H LEU A 74 -5.976 3.833 -3.088 1.00 0.18 H new ATOM 0 HA LEU A 74 -4.591 5.094 -5.373 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -6.336 3.992 -6.430 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -7.397 4.095 -5.039 1.00 0.22 H new ATOM 0 HG LEU A 74 -7.842 6.434 -5.474 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -7.008 7.567 -7.470 1.00 1.10 H new ATOM 0 HD12 LEU A 74 -5.700 7.128 -6.345 1.00 1.10 H new ATOM 0 HD13 LEU A 74 -5.965 6.168 -7.821 1.00 1.10 H new ATOM 0 HD21 LEU A 74 -9.013 6.201 -7.637 1.00 0.80 H new ATOM 0 HD22 LEU A 74 -8.076 4.725 -7.972 1.00 0.80 H new ATOM 0 HD23 LEU A 74 -9.219 4.763 -6.609 1.00 0.80 H new ATOM 1222 N ILE A 75 -4.742 7.224 -4.359 1.00 0.19 N ATOM 1223 CA ILE A 75 -4.843 8.594 -3.932 1.00 0.18 C ATOM 1224 C ILE A 75 -5.718 9.364 -4.904 1.00 0.18 C ATOM 1225 O ILE A 75 -5.334 9.617 -6.049 1.00 0.21 O ATOM 1226 CB ILE A 75 -3.447 9.248 -3.855 1.00 0.21 C ATOM 1227 CG1 ILE A 75 -2.488 8.542 -4.819 1.00 0.27 C ATOM 1228 CG2 ILE A 75 -2.913 9.217 -2.430 1.00 0.22 C ATOM 1229 CD1 ILE A 75 -1.241 9.330 -5.132 1.00 0.30 C ATOM 0 H ILE A 75 -3.908 7.017 -4.908 1.00 0.19 H new ATOM 0 HA ILE A 75 -5.289 8.618 -2.938 1.00 0.18 H new ATOM 0 HB ILE A 75 -3.531 10.293 -4.152 1.00 0.21 H new ATOM 0 HG12 ILE A 75 -2.200 7.582 -4.391 1.00 0.27 H new ATOM 0 HG13 ILE A 75 -3.015 8.331 -5.750 1.00 0.27 H new ATOM 0 HG21 ILE A 75 -1.928 9.683 -2.400 1.00 0.22 H new ATOM 0 HG22 ILE A 75 -3.593 9.762 -1.775 1.00 0.22 H new ATOM 0 HG23 ILE A 75 -2.835 8.183 -2.093 1.00 0.22 H new ATOM 0 HD11 ILE A 75 -0.615 8.762 -5.820 1.00 0.30 H new ATOM 0 HD12 ILE A 75 -1.516 10.280 -5.591 1.00 0.30 H new ATOM 0 HD13 ILE A 75 -0.689 9.519 -4.211 1.00 0.30 H new ATOM 1241 N THR A 76 -6.897 9.723 -4.442 1.00 0.17 N ATOM 1242 CA THR A 76 -7.859 10.413 -5.269 1.00 0.20 C ATOM 1243 C THR A 76 -7.941 11.872 -4.877 1.00 0.19 C ATOM 1244 O THR A 76 -8.436 12.206 -3.806 1.00 0.22 O ATOM 1245 CB THR A 76 -9.251 9.788 -5.121 1.00 0.24 C ATOM 1246 OG1 THR A 76 -9.146 8.490 -4.521 1.00 0.25 O ATOM 1247 CG2 THR A 76 -9.913 9.661 -6.470 1.00 0.31 C ATOM 0 H THR A 76 -7.213 9.545 -3.488 1.00 0.17 H new ATOM 0 HA THR A 76 -7.529 10.325 -6.304 1.00 0.20 H new ATOM 0 HB THR A 76 -9.854 10.435 -4.484 1.00 0.24 H new ATOM 0 HG1 THR A 76 -9.182 8.577 -3.546 1.00 0.25 H new ATOM 0 HG21 THR A 76 -10.901 9.216 -6.350 1.00 0.31 H new ATOM 0 HG22 THR A 76 -10.012 10.648 -6.921 1.00 0.31 H new ATOM 0 HG23 THR A 76 -9.305 9.027 -7.115 1.00 0.31 H new ATOM 1255 N VAL A 77 -7.486 12.745 -5.746 1.00 0.23 N ATOM 1256 CA VAL A 77 -7.522 14.153 -5.453 1.00 0.25 C ATOM 1257 C VAL A 77 -8.453 14.857 -6.426 1.00 0.33 C ATOM 1258 O VAL A 77 -8.257 14.839 -7.644 1.00 0.44 O ATOM 1259 CB VAL A 77 -6.107 14.787 -5.491 1.00 0.35 C ATOM 1260 CG1 VAL A 77 -5.499 14.740 -6.882 1.00 0.75 C ATOM 1261 CG2 VAL A 77 -6.145 16.209 -4.970 1.00 0.86 C ATOM 0 H VAL A 77 -7.090 12.504 -6.655 1.00 0.23 H new ATOM 0 HA VAL A 77 -7.901 14.278 -4.439 1.00 0.25 H new ATOM 0 HB VAL A 77 -5.467 14.193 -4.839 1.00 0.35 H new ATOM 0 HG11 VAL A 77 -4.509 15.195 -6.862 1.00 0.75 H new ATOM 0 HG12 VAL A 77 -5.416 13.703 -7.208 1.00 0.75 H new ATOM 0 HG13 VAL A 77 -6.136 15.288 -7.576 1.00 0.75 H new ATOM 0 HG21 VAL A 77 -5.143 16.636 -5.005 1.00 0.86 H new ATOM 0 HG22 VAL A 77 -6.815 16.805 -5.589 1.00 0.86 H new ATOM 0 HG23 VAL A 77 -6.504 16.210 -3.941 1.00 0.86 H new ATOM 1271 N GLU A 78 -9.518 15.420 -5.891 1.00 0.37 N ATOM 1272 CA GLU A 78 -10.438 16.163 -6.715 1.00 0.50 C ATOM 1273 C GLU A 78 -10.040 17.622 -6.688 1.00 0.63 C ATOM 1274 O GLU A 78 -10.503 18.383 -5.838 1.00 0.77 O ATOM 1275 CB GLU A 78 -11.877 15.982 -6.222 1.00 0.63 C ATOM 1276 CG GLU A 78 -12.321 14.527 -6.178 1.00 0.62 C ATOM 1277 CD GLU A 78 -13.807 14.368 -5.929 1.00 1.09 C ATOM 1278 OE1 GLU A 78 -14.229 14.417 -4.756 1.00 1.63 O ATOM 1279 OE2 GLU A 78 -14.561 14.171 -6.906 1.00 1.55 O ATOM 0 H GLU A 78 -9.762 15.376 -4.902 1.00 0.37 H new ATOM 0 HA GLU A 78 -10.395 15.791 -7.739 1.00 0.50 H new ATOM 0 HB2 GLU A 78 -11.969 16.413 -5.225 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.550 16.540 -6.873 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -12.063 14.046 -7.121 1.00 0.62 H new ATOM 0 HG3 GLU A 78 -11.769 14.008 -5.394 1.00 0.62 H new ATOM 1286 N ASP A 79 -9.177 17.989 -7.628 1.00 0.66 N ATOM 1287 CA ASP A 79 -8.636 19.338 -7.715 1.00 0.84 C ATOM 1288 C ASP A 79 -7.556 19.366 -8.787 1.00 0.75 C ATOM 1289 O ASP A 79 -7.025 18.323 -9.168 1.00 1.08 O ATOM 1290 CB ASP A 79 -8.030 19.777 -6.372 1.00 1.20 C ATOM 1291 CG ASP A 79 -8.064 21.280 -6.174 1.00 1.67 C ATOM 1292 OD1 ASP A 79 -7.756 22.015 -7.136 1.00 1.81 O ATOM 1293 OD2 ASP A 79 -8.396 21.735 -5.060 1.00 2.05 O ATOM 0 H ASP A 79 -8.833 17.358 -8.352 1.00 0.66 H new ATOM 0 HA ASP A 79 -9.444 20.025 -7.968 1.00 0.84 H new ATOM 0 HB2 ASP A 79 -8.574 19.296 -5.559 1.00 1.20 H new ATOM 0 HB3 ASP A 79 -6.998 19.431 -6.314 1.00 1.20 H new ATOM 1298 N ALA A 80 -7.234 20.552 -9.268 1.00 0.91 N ATOM 1299 CA ALA A 80 -6.210 20.712 -10.284 1.00 1.17 C ATOM 1300 C ALA A 80 -4.887 21.139 -9.658 1.00 1.09 C ATOM 1301 O ALA A 80 -3.896 21.348 -10.356 1.00 1.60 O ATOM 1302 CB ALA A 80 -6.659 21.723 -11.325 1.00 1.85 C ATOM 0 H ALA A 80 -7.670 21.424 -8.969 1.00 0.91 H new ATOM 0 HA ALA A 80 -6.056 19.750 -10.774 1.00 1.17 H new ATOM 0 HB1 ALA A 80 -5.883 21.835 -12.082 1.00 1.85 H new ATOM 0 HB2 ALA A 80 -7.578 21.376 -11.796 1.00 1.85 H new ATOM 0 HB3 ALA A 80 -6.838 22.685 -10.844 1.00 1.85 H new ATOM 1308 N GLN A 81 -4.881 21.267 -8.336 1.00 1.04 N ATOM 1309 CA GLN A 81 -3.711 21.755 -7.614 1.00 1.65 C ATOM 1310 C GLN A 81 -2.540 20.778 -7.695 1.00 0.98 C ATOM 1311 O GLN A 81 -2.617 19.645 -7.210 1.00 0.75 O ATOM 1312 CB GLN A 81 -4.056 22.013 -6.143 1.00 2.75 C ATOM 1313 CG GLN A 81 -5.122 23.077 -5.927 1.00 3.72 C ATOM 1314 CD GLN A 81 -4.748 24.418 -6.523 1.00 4.69 C ATOM 1315 OE1 GLN A 81 -4.109 25.245 -5.871 1.00 5.14 O ATOM 1316 NE2 GLN A 81 -5.161 24.655 -7.758 1.00 5.39 N ATOM 0 H GLN A 81 -5.677 21.039 -7.740 1.00 1.04 H new ATOM 0 HA GLN A 81 -3.410 22.688 -8.091 1.00 1.65 H new ATOM 0 HB2 GLN A 81 -4.394 21.080 -5.692 1.00 2.75 H new ATOM 0 HB3 GLN A 81 -3.150 22.311 -5.616 1.00 2.75 H new ATOM 0 HG2 GLN A 81 -6.060 22.739 -6.367 1.00 3.72 H new ATOM 0 HG3 GLN A 81 -5.297 23.197 -4.858 1.00 3.72 H new ATOM 0 HE21 GLN A 81 -5.688 23.944 -8.265 1.00 5.39 H new ATOM 0 HE22 GLN A 81 -4.952 25.549 -8.203 1.00 5.39 H new ATOM 1325 N ASN A 82 -1.443 21.233 -8.293 1.00 0.84 N ATOM 1326 CA ASN A 82 -0.212 20.447 -8.328 1.00 0.71 C ATOM 1327 C ASN A 82 0.382 20.362 -6.930 1.00 0.59 C ATOM 1328 O ASN A 82 1.156 19.460 -6.619 1.00 0.56 O ATOM 1329 CB ASN A 82 0.825 21.043 -9.294 1.00 1.13 C ATOM 1330 CG ASN A 82 1.332 22.417 -8.874 1.00 1.74 C ATOM 1331 OD1 ASN A 82 0.588 23.230 -8.331 1.00 2.48 O ATOM 1332 ND2 ASN A 82 2.609 22.680 -9.105 1.00 2.28 N ATOM 0 H ASN A 82 -1.380 22.138 -8.759 1.00 0.84 H new ATOM 0 HA ASN A 82 -0.467 19.450 -8.688 1.00 0.71 H new ATOM 0 HB2 ASN A 82 1.672 20.361 -9.371 1.00 1.13 H new ATOM 0 HB3 ASN A 82 0.383 21.116 -10.288 1.00 1.13 H new ATOM 0 HD21 ASN A 82 3.002 23.580 -8.830 1.00 2.28 H new ATOM 0 HD22 ASN A 82 3.200 21.983 -9.558 1.00 2.28 H new ATOM 1339 N ARG A 83 0.007 21.315 -6.090 1.00 0.65 N ATOM 1340 CA ARG A 83 0.443 21.327 -4.704 1.00 0.63 C ATOM 1341 C ARG A 83 -0.298 20.251 -3.917 1.00 0.46 C ATOM 1342 O ARG A 83 0.218 19.714 -2.936 1.00 0.43 O ATOM 1343 CB ARG A 83 0.200 22.706 -4.093 1.00 0.81 C ATOM 1344 CG ARG A 83 0.716 23.841 -4.964 1.00 1.66 C ATOM 1345 CD ARG A 83 0.454 25.199 -4.339 1.00 2.10 C ATOM 1346 NE ARG A 83 1.321 25.447 -3.196 1.00 2.64 N ATOM 1347 CZ ARG A 83 1.133 26.428 -2.315 1.00 3.34 C ATOM 1348 NH1 ARG A 83 0.092 27.244 -2.437 1.00 3.68 N ATOM 1349 NH2 ARG A 83 1.991 26.595 -1.322 1.00 4.17 N ATOM 0 H ARG A 83 -0.601 22.093 -6.347 1.00 0.65 H new ATOM 0 HA ARG A 83 1.511 21.114 -4.661 1.00 0.63 H new ATOM 0 HB2 ARG A 83 -0.869 22.840 -3.926 1.00 0.81 H new ATOM 0 HB3 ARG A 83 0.683 22.755 -3.117 1.00 0.81 H new ATOM 0 HG2 ARG A 83 1.787 23.716 -5.126 1.00 1.66 H new ATOM 0 HG3 ARG A 83 0.238 23.794 -5.943 1.00 1.66 H new ATOM 0 HD2 ARG A 83 0.606 25.978 -5.086 1.00 2.10 H new ATOM 0 HD3 ARG A 83 -0.588 25.259 -4.024 1.00 2.10 H new ATOM 0 HE ARG A 83 2.123 24.831 -3.061 1.00 2.64 H new ATOM 0 HH11 ARG A 83 -0.566 27.120 -3.207 1.00 3.68 H new ATOM 0 HH12 ARG A 83 -0.050 27.994 -1.761 1.00 3.68 H new ATOM 0 HH21 ARG A 83 2.795 25.973 -1.232 1.00 4.17 H new ATOM 0 HH22 ARG A 83 1.849 27.346 -0.646 1.00 4.17 H new ATOM 1363 N ALA A 84 -1.504 19.918 -4.374 1.00 0.43 N ATOM 1364 CA ALA A 84 -2.298 18.875 -3.743 1.00 0.38 C ATOM 1365 C ALA A 84 -1.693 17.511 -4.023 1.00 0.29 C ATOM 1366 O ALA A 84 -1.534 16.696 -3.115 1.00 0.35 O ATOM 1367 CB ALA A 84 -3.743 18.917 -4.227 1.00 0.49 C ATOM 0 H ALA A 84 -1.949 20.358 -5.179 1.00 0.43 H new ATOM 0 HA ALA A 84 -2.294 19.052 -2.667 1.00 0.38 H new ATOM 0 HB1 ALA A 84 -4.313 18.127 -3.739 1.00 0.49 H new ATOM 0 HB2 ALA A 84 -4.181 19.885 -3.982 1.00 0.49 H new ATOM 0 HB3 ALA A 84 -3.769 18.770 -5.307 1.00 0.49 H new ATOM 1373 N GLU A 85 -1.338 17.269 -5.285 1.00 0.25 N ATOM 1374 CA GLU A 85 -0.731 15.998 -5.663 1.00 0.26 C ATOM 1375 C GLU A 85 0.612 15.824 -4.950 1.00 0.28 C ATOM 1376 O GLU A 85 0.994 14.714 -4.605 1.00 0.34 O ATOM 1377 CB GLU A 85 -0.571 15.878 -7.183 1.00 0.34 C ATOM 1378 CG GLU A 85 0.573 16.695 -7.759 1.00 0.49 C ATOM 1379 CD GLU A 85 0.843 16.377 -9.213 1.00 0.79 C ATOM 1380 OE1 GLU A 85 1.493 15.350 -9.491 1.00 1.31 O ATOM 1381 OE2 GLU A 85 0.393 17.147 -10.086 1.00 1.24 O ATOM 0 H GLU A 85 -1.459 17.929 -6.053 1.00 0.25 H new ATOM 0 HA GLU A 85 -1.399 15.196 -5.349 1.00 0.26 H new ATOM 0 HB2 GLU A 85 -0.418 14.830 -7.439 1.00 0.34 H new ATOM 0 HB3 GLU A 85 -1.500 16.190 -7.660 1.00 0.34 H new ATOM 0 HG2 GLU A 85 0.342 17.756 -7.660 1.00 0.49 H new ATOM 0 HG3 GLU A 85 1.476 16.509 -7.177 1.00 0.49 H new ATOM 1388 N LEU A 86 1.310 16.930 -4.708 1.00 0.30 N ATOM 1389 CA LEU A 86 2.567 16.892 -3.968 1.00 0.36 C ATOM 1390 C LEU A 86 2.322 16.431 -2.531 1.00 0.28 C ATOM 1391 O LEU A 86 3.098 15.662 -1.957 1.00 0.28 O ATOM 1392 CB LEU A 86 3.217 18.276 -3.965 1.00 0.47 C ATOM 1393 CG LEU A 86 4.618 18.337 -3.353 1.00 0.73 C ATOM 1394 CD1 LEU A 86 5.596 17.503 -4.168 1.00 1.45 C ATOM 1395 CD2 LEU A 86 5.090 19.778 -3.258 1.00 1.47 C ATOM 0 H LEU A 86 1.027 17.861 -5.013 1.00 0.30 H new ATOM 0 HA LEU A 86 3.237 16.185 -4.456 1.00 0.36 H new ATOM 0 HB2 LEU A 86 3.271 18.637 -4.992 1.00 0.47 H new ATOM 0 HB3 LEU A 86 2.570 18.963 -3.420 1.00 0.47 H new ATOM 0 HG LEU A 86 4.575 17.921 -2.346 1.00 0.73 H new ATOM 0 HD11 LEU A 86 6.587 17.559 -3.717 1.00 1.45 H new ATOM 0 HD12 LEU A 86 5.263 16.465 -4.185 1.00 1.45 H new ATOM 0 HD13 LEU A 86 5.640 17.886 -5.187 1.00 1.45 H new ATOM 0 HD21 LEU A 86 6.088 19.806 -2.821 1.00 1.47 H new ATOM 0 HD22 LEU A 86 5.118 20.218 -4.255 1.00 1.47 H new ATOM 0 HD23 LEU A 86 4.403 20.345 -2.630 1.00 1.47 H new ATOM 1407 N LYS A 87 1.223 16.895 -1.965 1.00 0.24 N ATOM 1408 CA LYS A 87 0.864 16.568 -0.596 1.00 0.22 C ATOM 1409 C LYS A 87 0.466 15.095 -0.483 1.00 0.18 C ATOM 1410 O LYS A 87 0.902 14.380 0.425 1.00 0.20 O ATOM 1411 CB LYS A 87 -0.285 17.478 -0.159 1.00 0.27 C ATOM 1412 CG LYS A 87 -0.186 17.960 1.274 1.00 0.29 C ATOM 1413 CD LYS A 87 -1.210 19.053 1.555 1.00 0.75 C ATOM 1414 CE LYS A 87 -1.071 20.216 0.577 1.00 1.40 C ATOM 1415 NZ LYS A 87 -2.012 21.325 0.886 1.00 1.74 N ATOM 0 H LYS A 87 0.557 17.506 -2.438 1.00 0.24 H new ATOM 0 HA LYS A 87 1.721 16.728 0.058 1.00 0.22 H new ATOM 0 HB2 LYS A 87 -0.319 18.344 -0.820 1.00 0.27 H new ATOM 0 HB3 LYS A 87 -1.226 16.943 -0.286 1.00 0.27 H new ATOM 0 HG2 LYS A 87 -0.346 17.124 1.955 1.00 0.29 H new ATOM 0 HG3 LYS A 87 0.818 18.339 1.465 1.00 0.29 H new ATOM 0 HD2 LYS A 87 -2.215 18.637 1.487 1.00 0.75 H new ATOM 0 HD3 LYS A 87 -1.084 19.417 2.575 1.00 0.75 H new ATOM 0 HE2 LYS A 87 -0.048 20.591 0.605 1.00 1.40 H new ATOM 0 HE3 LYS A 87 -1.253 19.860 -0.437 1.00 1.40 H new ATOM 0 HZ1 LYS A 87 -1.882 22.093 0.196 1.00 1.74 H new ATOM 0 HZ2 LYS A 87 -2.990 20.975 0.834 1.00 1.74 H new ATOM 0 HZ3 LYS A 87 -1.823 21.684 1.844 1.00 1.74 H new ATOM 1429 N LEU A 88 -0.346 14.634 -1.425 1.00 0.19 N ATOM 1430 CA LEU A 88 -0.806 13.254 -1.414 1.00 0.21 C ATOM 1431 C LEU A 88 0.326 12.280 -1.736 1.00 0.21 C ATOM 1432 O LEU A 88 0.377 11.189 -1.175 1.00 0.22 O ATOM 1433 CB LEU A 88 -1.988 13.067 -2.374 1.00 0.30 C ATOM 1434 CG LEU A 88 -1.781 13.597 -3.797 1.00 0.54 C ATOM 1435 CD1 LEU A 88 -1.158 12.547 -4.686 1.00 1.09 C ATOM 1436 CD2 LEU A 88 -3.087 14.069 -4.396 1.00 1.33 C ATOM 0 H LEU A 88 -0.698 15.193 -2.202 1.00 0.19 H new ATOM 0 HA LEU A 88 -1.149 13.028 -0.404 1.00 0.21 H new ATOM 0 HB2 LEU A 88 -2.219 12.003 -2.433 1.00 0.30 H new ATOM 0 HB3 LEU A 88 -2.861 13.560 -1.946 1.00 0.30 H new ATOM 0 HG LEU A 88 -1.099 14.445 -3.732 1.00 0.54 H new ATOM 0 HD11 LEU A 88 -1.024 12.952 -5.689 1.00 1.09 H new ATOM 0 HD12 LEU A 88 -0.190 12.255 -4.280 1.00 1.09 H new ATOM 0 HD13 LEU A 88 -1.811 11.675 -4.732 1.00 1.09 H new ATOM 0 HD21 LEU A 88 -2.911 14.440 -5.406 1.00 1.33 H new ATOM 0 HD22 LEU A 88 -3.792 13.238 -4.432 1.00 1.33 H new ATOM 0 HD23 LEU A 88 -3.501 14.869 -3.782 1.00 1.33 H new ATOM 1448 N LYS A 89 1.245 12.678 -2.615 1.00 0.26 N ATOM 1449 CA LYS A 89 2.336 11.787 -3.010 1.00 0.31 C ATOM 1450 C LYS A 89 3.286 11.523 -1.843 1.00 0.29 C ATOM 1451 O LYS A 89 3.805 10.421 -1.708 1.00 0.30 O ATOM 1452 CB LYS A 89 3.096 12.301 -4.253 1.00 0.41 C ATOM 1453 CG LYS A 89 3.718 13.688 -4.129 1.00 0.47 C ATOM 1454 CD LYS A 89 5.073 13.671 -3.440 1.00 0.90 C ATOM 1455 CE LYS A 89 6.097 12.876 -4.226 1.00 1.05 C ATOM 1456 NZ LYS A 89 7.442 12.945 -3.602 1.00 2.07 N ATOM 0 H LYS A 89 1.258 13.595 -3.061 1.00 0.26 H new ATOM 0 HA LYS A 89 1.882 10.838 -3.293 1.00 0.31 H new ATOM 0 HB2 LYS A 89 3.887 11.590 -4.491 1.00 0.41 H new ATOM 0 HB3 LYS A 89 2.408 12.307 -5.098 1.00 0.41 H new ATOM 0 HG2 LYS A 89 3.827 14.121 -5.123 1.00 0.47 H new ATOM 0 HG3 LYS A 89 3.041 14.335 -3.572 1.00 0.47 H new ATOM 0 HD2 LYS A 89 5.428 14.694 -3.312 1.00 0.90 H new ATOM 0 HD3 LYS A 89 4.968 13.243 -2.443 1.00 0.90 H new ATOM 0 HE2 LYS A 89 5.779 11.836 -4.290 1.00 1.05 H new ATOM 0 HE3 LYS A 89 6.149 13.257 -5.246 1.00 1.05 H new ATOM 0 HZ1 LYS A 89 8.112 13.380 -4.268 1.00 2.07 H new ATOM 0 HZ2 LYS A 89 7.394 13.518 -2.736 1.00 2.07 H new ATOM 0 HZ3 LYS A 89 7.764 11.985 -3.364 1.00 2.07 H new ATOM 1470 N ARG A 90 3.508 12.527 -0.995 1.00 0.27 N ATOM 1471 CA ARG A 90 4.367 12.339 0.175 1.00 0.30 C ATOM 1472 C ARG A 90 3.712 11.343 1.134 1.00 0.25 C ATOM 1473 O ARG A 90 4.349 10.398 1.610 1.00 0.28 O ATOM 1474 CB ARG A 90 4.657 13.674 0.899 1.00 0.36 C ATOM 1475 CG ARG A 90 3.496 14.197 1.729 1.00 0.35 C ATOM 1476 CD ARG A 90 3.890 15.361 2.622 1.00 0.75 C ATOM 1477 NE ARG A 90 2.832 15.682 3.580 1.00 1.44 N ATOM 1478 CZ ARG A 90 2.804 16.780 4.338 1.00 1.98 C ATOM 1479 NH1 ARG A 90 3.800 17.659 4.299 1.00 2.10 N ATOM 1480 NH2 ARG A 90 1.783 16.977 5.158 1.00 2.93 N ATOM 0 H ARG A 90 3.114 13.463 -1.092 1.00 0.27 H new ATOM 0 HA ARG A 90 5.324 11.945 -0.167 1.00 0.30 H new ATOM 0 HB2 ARG A 90 5.523 13.542 1.548 1.00 0.36 H new ATOM 0 HB3 ARG A 90 4.927 14.426 0.157 1.00 0.36 H new ATOM 0 HG2 ARG A 90 2.692 14.511 1.064 1.00 0.35 H new ATOM 0 HG3 ARG A 90 3.102 13.389 2.345 1.00 0.35 H new ATOM 0 HD2 ARG A 90 4.806 15.116 3.159 1.00 0.75 H new ATOM 0 HD3 ARG A 90 4.105 16.236 2.008 1.00 0.75 H new ATOM 0 HE ARG A 90 2.062 15.020 3.675 1.00 1.44 H new ATOM 0 HH11 ARG A 90 4.598 17.498 3.685 1.00 2.10 H new ATOM 0 HH12 ARG A 90 3.766 18.494 4.883 1.00 2.10 H new ATOM 0 HH21 ARG A 90 1.028 16.293 5.206 1.00 2.93 H new ATOM 0 HH22 ARG A 90 1.752 17.813 5.742 1.00 2.93 H new ATOM 1494 N ALA A 91 2.420 11.537 1.374 1.00 0.22 N ATOM 1495 CA ALA A 91 1.677 10.696 2.295 1.00 0.23 C ATOM 1496 C ALA A 91 1.517 9.288 1.737 1.00 0.21 C ATOM 1497 O ALA A 91 1.635 8.296 2.460 1.00 0.24 O ATOM 1498 CB ALA A 91 0.325 11.317 2.575 1.00 0.26 C ATOM 0 H ALA A 91 1.866 12.275 0.939 1.00 0.22 H new ATOM 0 HA ALA A 91 2.234 10.622 3.229 1.00 0.23 H new ATOM 0 HB1 ALA A 91 -0.230 10.683 3.267 1.00 0.26 H new ATOM 0 HB2 ALA A 91 0.462 12.304 3.017 1.00 0.26 H new ATOM 0 HB3 ALA A 91 -0.232 11.412 1.643 1.00 0.26 H new ATOM 1504 N VAL A 92 1.263 9.210 0.443 1.00 0.18 N ATOM 1505 CA VAL A 92 1.090 7.935 -0.219 1.00 0.19 C ATOM 1506 C VAL A 92 2.422 7.199 -0.312 1.00 0.22 C ATOM 1507 O VAL A 92 2.457 5.974 -0.352 1.00 0.24 O ATOM 1508 CB VAL A 92 0.454 8.097 -1.615 1.00 0.22 C ATOM 1509 CG1 VAL A 92 1.489 8.457 -2.670 1.00 0.25 C ATOM 1510 CG2 VAL A 92 -0.304 6.838 -1.993 1.00 0.26 C ATOM 0 H VAL A 92 1.172 10.020 -0.170 1.00 0.18 H new ATOM 0 HA VAL A 92 0.403 7.340 0.382 1.00 0.19 H new ATOM 0 HB VAL A 92 -0.251 8.927 -1.570 1.00 0.22 H new ATOM 0 HG11 VAL A 92 1.000 8.562 -3.639 1.00 0.25 H new ATOM 0 HG12 VAL A 92 1.969 9.398 -2.402 1.00 0.25 H new ATOM 0 HG13 VAL A 92 2.240 7.669 -2.726 1.00 0.25 H new ATOM 0 HG21 VAL A 92 -0.749 6.964 -2.980 1.00 0.26 H new ATOM 0 HG22 VAL A 92 0.382 5.991 -2.009 1.00 0.26 H new ATOM 0 HG23 VAL A 92 -1.091 6.653 -1.261 1.00 0.26 H new ATOM 1520 N GLU A 93 3.516 7.953 -0.353 1.00 0.25 N ATOM 1521 CA GLU A 93 4.843 7.360 -0.313 1.00 0.31 C ATOM 1522 C GLU A 93 5.079 6.663 1.015 1.00 0.31 C ATOM 1523 O GLU A 93 5.806 5.672 1.087 1.00 0.33 O ATOM 1524 CB GLU A 93 5.922 8.408 -0.557 1.00 0.39 C ATOM 1525 CG GLU A 93 6.355 8.497 -2.008 1.00 0.71 C ATOM 1526 CD GLU A 93 7.407 9.556 -2.240 1.00 1.14 C ATOM 1527 OE1 GLU A 93 8.222 9.792 -1.327 1.00 1.63 O ATOM 1528 OE2 GLU A 93 7.420 10.171 -3.327 1.00 1.61 O ATOM 0 H GLU A 93 3.508 8.971 -0.414 1.00 0.25 H new ATOM 0 HA GLU A 93 4.900 6.620 -1.112 1.00 0.31 H new ATOM 0 HB2 GLU A 93 5.552 9.382 -0.235 1.00 0.39 H new ATOM 0 HB3 GLU A 93 6.790 8.176 0.060 1.00 0.39 H new ATOM 0 HG2 GLU A 93 6.743 7.530 -2.327 1.00 0.71 H new ATOM 0 HG3 GLU A 93 5.486 8.712 -2.629 1.00 0.71 H new ATOM 1535 N GLU A 94 4.460 7.175 2.069 1.00 0.31 N ATOM 1536 CA GLU A 94 4.499 6.492 3.352 1.00 0.34 C ATOM 1537 C GLU A 94 3.751 5.171 3.239 1.00 0.29 C ATOM 1538 O GLU A 94 4.183 4.150 3.776 1.00 0.29 O ATOM 1539 CB GLU A 94 3.902 7.362 4.452 1.00 0.42 C ATOM 1540 CG GLU A 94 4.489 8.761 4.482 1.00 0.90 C ATOM 1541 CD GLU A 94 4.155 9.504 5.751 1.00 1.40 C ATOM 1542 OE1 GLU A 94 2.952 9.699 6.025 1.00 2.09 O ATOM 1543 OE2 GLU A 94 5.083 9.907 6.480 1.00 1.62 O ATOM 0 H GLU A 94 3.932 8.048 2.062 1.00 0.31 H new ATOM 0 HA GLU A 94 5.537 6.295 3.620 1.00 0.34 H new ATOM 0 HB2 GLU A 94 2.823 7.429 4.310 1.00 0.42 H new ATOM 0 HB3 GLU A 94 4.067 6.883 5.417 1.00 0.42 H new ATOM 0 HG2 GLU A 94 5.572 8.699 4.376 1.00 0.90 H new ATOM 0 HG3 GLU A 94 4.117 9.325 3.627 1.00 0.90 H new ATOM 1550 N VAL A 95 2.636 5.190 2.510 1.00 0.28 N ATOM 1551 CA VAL A 95 1.921 3.958 2.199 1.00 0.26 C ATOM 1552 C VAL A 95 2.797 3.032 1.371 1.00 0.25 C ATOM 1553 O VAL A 95 2.780 1.832 1.573 1.00 0.26 O ATOM 1554 CB VAL A 95 0.600 4.206 1.443 1.00 0.25 C ATOM 1555 CG1 VAL A 95 -0.082 2.879 1.102 1.00 0.48 C ATOM 1556 CG2 VAL A 95 -0.326 5.092 2.263 1.00 0.62 C ATOM 0 H VAL A 95 2.214 6.036 2.128 1.00 0.28 H new ATOM 0 HA VAL A 95 1.676 3.496 3.156 1.00 0.26 H new ATOM 0 HB VAL A 95 0.829 4.721 0.510 1.00 0.25 H new ATOM 0 HG11 VAL A 95 -1.012 3.075 0.569 1.00 0.48 H new ATOM 0 HG12 VAL A 95 0.578 2.282 0.473 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -0.298 2.334 2.021 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -1.253 5.256 1.714 1.00 0.62 H new ATOM 0 HG22 VAL A 95 -0.548 4.606 3.213 1.00 0.62 H new ATOM 0 HG23 VAL A 95 0.159 6.050 2.451 1.00 0.62 H new ATOM 1566 N LYS A 96 3.570 3.594 0.447 1.00 0.26 N ATOM 1567 CA LYS A 96 4.500 2.798 -0.359 1.00 0.30 C ATOM 1568 C LYS A 96 5.505 2.069 0.535 1.00 0.33 C ATOM 1569 O LYS A 96 5.959 0.968 0.215 1.00 0.39 O ATOM 1570 CB LYS A 96 5.239 3.681 -1.366 1.00 0.36 C ATOM 1571 CG LYS A 96 4.317 4.382 -2.352 1.00 0.88 C ATOM 1572 CD LYS A 96 5.098 5.237 -3.335 1.00 1.20 C ATOM 1573 CE LYS A 96 4.172 6.043 -4.230 1.00 1.69 C ATOM 1574 NZ LYS A 96 4.922 6.821 -5.251 1.00 2.00 N ATOM 0 H LYS A 96 3.574 4.592 0.236 1.00 0.26 H new ATOM 0 HA LYS A 96 3.918 2.057 -0.907 1.00 0.30 H new ATOM 0 HB2 LYS A 96 5.816 4.431 -0.825 1.00 0.36 H new ATOM 0 HB3 LYS A 96 5.951 3.069 -1.919 1.00 0.36 H new ATOM 0 HG2 LYS A 96 3.734 3.640 -2.897 1.00 0.88 H new ATOM 0 HG3 LYS A 96 3.609 5.007 -1.808 1.00 0.88 H new ATOM 0 HD2 LYS A 96 5.756 5.912 -2.788 1.00 1.20 H new ATOM 0 HD3 LYS A 96 5.734 4.599 -3.948 1.00 1.20 H new ATOM 0 HE2 LYS A 96 3.473 5.371 -4.728 1.00 1.69 H new ATOM 0 HE3 LYS A 96 3.579 6.724 -3.619 1.00 1.69 H new ATOM 0 HZ1 LYS A 96 4.253 7.356 -5.840 1.00 2.00 H new ATOM 0 HZ2 LYS A 96 5.571 7.481 -4.777 1.00 2.00 H new ATOM 0 HZ3 LYS A 96 5.468 6.170 -5.851 1.00 2.00 H new ATOM 1588 N LYS A 97 5.850 2.691 1.653 1.00 0.33 N ATOM 1589 CA LYS A 97 6.730 2.074 2.632 1.00 0.39 C ATOM 1590 C LYS A 97 5.971 1.058 3.478 1.00 0.35 C ATOM 1591 O LYS A 97 6.573 0.191 4.110 1.00 0.45 O ATOM 1592 CB LYS A 97 7.371 3.140 3.524 1.00 0.49 C ATOM 1593 CG LYS A 97 8.584 3.816 2.901 1.00 1.09 C ATOM 1594 CD LYS A 97 9.794 2.892 2.909 1.00 1.89 C ATOM 1595 CE LYS A 97 11.043 3.580 2.378 1.00 2.76 C ATOM 1596 NZ LYS A 97 11.023 3.716 0.901 1.00 3.43 N ATOM 0 H LYS A 97 5.532 3.627 1.905 1.00 0.33 H new ATOM 0 HA LYS A 97 7.521 1.549 2.096 1.00 0.39 H new ATOM 0 HB2 LYS A 97 6.625 3.899 3.760 1.00 0.49 H new ATOM 0 HB3 LYS A 97 7.667 2.681 4.467 1.00 0.49 H new ATOM 0 HG2 LYS A 97 8.354 4.109 1.877 1.00 1.09 H new ATOM 0 HG3 LYS A 97 8.817 4.729 3.449 1.00 1.09 H new ATOM 0 HD2 LYS A 97 9.977 2.544 3.926 1.00 1.89 H new ATOM 0 HD3 LYS A 97 9.581 2.011 2.304 1.00 1.89 H new ATOM 0 HE2 LYS A 97 11.132 4.567 2.831 1.00 2.76 H new ATOM 0 HE3 LYS A 97 11.924 3.012 2.677 1.00 2.76 H new ATOM 0 HZ1 LYS A 97 11.893 4.190 0.584 1.00 3.43 H new ATOM 0 HZ2 LYS A 97 10.964 2.773 0.466 1.00 3.43 H new ATOM 0 HZ3 LYS A 97 10.198 4.281 0.616 1.00 3.43 H new ATOM 1610 N LEU A 98 4.651 1.180 3.501 1.00 0.30 N ATOM 1611 CA LEU A 98 3.817 0.266 4.265 1.00 0.33 C ATOM 1612 C LEU A 98 3.351 -0.921 3.430 1.00 0.27 C ATOM 1613 O LEU A 98 3.395 -2.055 3.883 1.00 0.35 O ATOM 1614 CB LEU A 98 2.591 1.004 4.804 1.00 0.45 C ATOM 1615 CG LEU A 98 2.866 2.025 5.905 1.00 0.83 C ATOM 1616 CD1 LEU A 98 1.597 2.794 6.235 1.00 1.70 C ATOM 1617 CD2 LEU A 98 3.412 1.339 7.146 1.00 1.29 C ATOM 0 H LEU A 98 4.136 1.903 2.999 1.00 0.30 H new ATOM 0 HA LEU A 98 4.425 -0.113 5.086 1.00 0.33 H new ATOM 0 HB2 LEU A 98 2.103 1.514 3.974 1.00 0.45 H new ATOM 0 HB3 LEU A 98 1.884 0.267 5.185 1.00 0.45 H new ATOM 0 HG LEU A 98 3.617 2.729 5.547 1.00 0.83 H new ATOM 0 HD11 LEU A 98 1.805 3.519 7.022 1.00 1.70 H new ATOM 0 HD12 LEU A 98 1.245 3.315 5.345 1.00 1.70 H new ATOM 0 HD13 LEU A 98 0.829 2.100 6.576 1.00 1.70 H new ATOM 0 HD21 LEU A 98 3.602 2.083 7.919 1.00 1.29 H new ATOM 0 HD22 LEU A 98 2.684 0.614 7.511 1.00 1.29 H new ATOM 0 HD23 LEU A 98 4.342 0.827 6.899 1.00 1.29 H new ATOM 1629 N LEU A 99 2.957 -0.656 2.193 1.00 0.21 N ATOM 1630 CA LEU A 99 2.365 -1.670 1.323 1.00 0.22 C ATOM 1631 C LEU A 99 3.370 -2.751 0.915 1.00 0.25 C ATOM 1632 O LEU A 99 3.068 -3.610 0.091 1.00 0.43 O ATOM 1633 CB LEU A 99 1.712 -1.030 0.083 1.00 0.36 C ATOM 1634 CG LEU A 99 2.559 -0.039 -0.724 1.00 0.38 C ATOM 1635 CD1 LEU A 99 3.724 -0.726 -1.422 1.00 1.29 C ATOM 1636 CD2 LEU A 99 1.690 0.687 -1.742 1.00 1.30 C ATOM 0 H LEU A 99 3.037 0.265 1.762 1.00 0.21 H new ATOM 0 HA LEU A 99 1.586 -2.163 1.905 1.00 0.22 H new ATOM 0 HB2 LEU A 99 1.401 -1.832 -0.587 1.00 0.36 H new ATOM 0 HB3 LEU A 99 0.807 -0.516 0.406 1.00 0.36 H new ATOM 0 HG LEU A 99 2.976 0.685 -0.024 1.00 0.38 H new ATOM 0 HD11 LEU A 99 4.298 0.012 -1.982 1.00 1.29 H new ATOM 0 HD12 LEU A 99 4.367 -1.198 -0.679 1.00 1.29 H new ATOM 0 HD13 LEU A 99 3.343 -1.484 -2.106 1.00 1.29 H new ATOM 0 HD21 LEU A 99 2.302 1.388 -2.309 1.00 1.30 H new ATOM 0 HD22 LEU A 99 1.244 -0.038 -2.423 1.00 1.30 H new ATOM 0 HD23 LEU A 99 0.901 1.232 -1.224 1.00 1.30 H new ATOM 1648 N VAL A 100 4.566 -2.696 1.480 1.00 0.32 N ATOM 1649 CA VAL A 100 5.560 -3.723 1.248 1.00 0.36 C ATOM 1650 C VAL A 100 5.180 -4.994 2.015 1.00 0.37 C ATOM 1651 O VAL A 100 4.943 -4.962 3.223 1.00 0.45 O ATOM 1652 CB VAL A 100 6.982 -3.243 1.643 1.00 0.48 C ATOM 1653 CG1 VAL A 100 7.062 -2.873 3.120 1.00 1.35 C ATOM 1654 CG2 VAL A 100 8.027 -4.295 1.292 1.00 1.29 C ATOM 0 H VAL A 100 4.869 -1.948 2.103 1.00 0.32 H new ATOM 0 HA VAL A 100 5.581 -3.944 0.181 1.00 0.36 H new ATOM 0 HB VAL A 100 7.194 -2.342 1.067 1.00 0.48 H new ATOM 0 HG11 VAL A 100 8.073 -2.542 3.358 1.00 1.35 H new ATOM 0 HG12 VAL A 100 6.357 -2.069 3.332 1.00 1.35 H new ATOM 0 HG13 VAL A 100 6.813 -3.743 3.727 1.00 1.35 H new ATOM 0 HG21 VAL A 100 9.015 -3.936 1.578 1.00 1.29 H new ATOM 0 HG22 VAL A 100 7.808 -5.219 1.827 1.00 1.29 H new ATOM 0 HG23 VAL A 100 8.007 -4.484 0.219 1.00 1.29 H new ATOM 1664 N PRO A 101 5.089 -6.127 1.304 1.00 0.39 N ATOM 1665 CA PRO A 101 4.694 -7.422 1.887 1.00 0.49 C ATOM 1666 C PRO A 101 5.732 -7.993 2.844 1.00 0.65 C ATOM 1667 O PRO A 101 5.543 -9.079 3.404 1.00 0.88 O ATOM 1668 CB PRO A 101 4.563 -8.323 0.667 1.00 0.64 C ATOM 1669 CG PRO A 101 5.471 -7.712 -0.341 1.00 0.60 C ATOM 1670 CD PRO A 101 5.352 -6.236 -0.138 1.00 0.45 C ATOM 0 HA PRO A 101 3.787 -7.329 2.484 1.00 0.49 H new ATOM 0 HB2 PRO A 101 4.855 -9.348 0.896 1.00 0.64 H new ATOM 0 HB3 PRO A 101 3.535 -8.358 0.307 1.00 0.64 H new ATOM 0 HG2 PRO A 101 6.498 -8.047 -0.199 1.00 0.60 H new ATOM 0 HG3 PRO A 101 5.181 -7.994 -1.353 1.00 0.60 H new ATOM 0 HD2 PRO A 101 6.265 -5.713 -0.423 1.00 0.45 H new ATOM 0 HD3 PRO A 101 4.542 -5.810 -0.730 1.00 0.45 H new ATOM 1735 N ASP A 107 18.545 -4.078 0.086 1.00 9.76 N ATOM 1736 CA ASP A 107 19.558 -3.055 0.392 1.00 10.43 C ATOM 1737 C ASP A 107 20.698 -3.625 1.227 1.00 10.48 C ATOM 1738 O ASP A 107 21.876 -3.382 0.944 1.00 11.15 O ATOM 1739 CB ASP A 107 18.935 -1.831 1.080 1.00 10.67 C ATOM 1740 CG ASP A 107 19.953 -0.757 1.392 1.00 11.41 C ATOM 1741 OD1 ASP A 107 20.615 -0.269 0.456 1.00 11.57 O ATOM 1742 OD2 ASP A 107 20.113 -0.405 2.578 1.00 11.98 O ATOM 0 HA ASP A 107 19.975 -2.726 -0.560 1.00 10.43 H new ATOM 0 HB2 ASP A 107 18.158 -1.415 0.438 1.00 10.67 H new ATOM 0 HB3 ASP A 107 18.450 -2.146 2.004 1.00 10.67 H new ATOM 1747 N SER A 108 20.346 -4.403 2.230 1.00 9.96 N ATOM 1748 CA SER A 108 21.322 -5.073 3.068 1.00 10.24 C ATOM 1749 C SER A 108 22.108 -6.090 2.246 1.00 10.41 C ATOM 1750 O SER A 108 23.271 -6.357 2.518 1.00 11.07 O ATOM 1751 CB SER A 108 20.597 -5.743 4.233 1.00 9.88 C ATOM 1752 OG SER A 108 21.493 -6.110 5.271 1.00 10.00 O ATOM 0 H SER A 108 19.377 -4.589 2.488 1.00 9.96 H new ATOM 0 HA SER A 108 22.033 -4.349 3.466 1.00 10.24 H new ATOM 0 HB2 SER A 108 19.841 -5.065 4.629 1.00 9.88 H new ATOM 0 HB3 SER A 108 20.074 -6.629 3.874 1.00 9.88 H new ATOM 0 HG SER A 108 20.993 -6.534 6.000 1.00 10.00 H new ATOM 1758 N LEU A 109 21.480 -6.609 1.204 1.00 10.02 N ATOM 1759 CA LEU A 109 22.097 -7.615 0.351 1.00 10.41 C ATOM 1760 C LEU A 109 23.362 -7.068 -0.308 1.00 11.26 C ATOM 1761 O LEU A 109 24.332 -7.792 -0.520 1.00 11.94 O ATOM 1762 CB LEU A 109 21.104 -8.071 -0.723 1.00 10.12 C ATOM 1763 CG LEU A 109 19.760 -8.583 -0.193 1.00 9.48 C ATOM 1764 CD1 LEU A 109 18.866 -9.028 -1.341 1.00 9.47 C ATOM 1765 CD2 LEU A 109 19.972 -9.722 0.791 1.00 9.65 C ATOM 0 H LEU A 109 20.534 -6.348 0.925 1.00 10.02 H new ATOM 0 HA LEU A 109 22.374 -8.468 0.971 1.00 10.41 H new ATOM 0 HB2 LEU A 109 20.916 -7.237 -1.399 1.00 10.12 H new ATOM 0 HB3 LEU A 109 21.569 -8.861 -1.313 1.00 10.12 H new ATOM 0 HG LEU A 109 19.265 -7.765 0.330 1.00 9.48 H new ATOM 0 HD11 LEU A 109 17.917 -9.388 -0.944 1.00 9.47 H new ATOM 0 HD12 LEU A 109 18.684 -8.186 -2.008 1.00 9.47 H new ATOM 0 HD13 LEU A 109 19.356 -9.830 -1.894 1.00 9.47 H new ATOM 0 HD21 LEU A 109 19.006 -10.072 1.156 1.00 9.65 H new ATOM 0 HD22 LEU A 109 20.490 -10.541 0.293 1.00 9.65 H new ATOM 0 HD23 LEU A 109 20.572 -9.371 1.631 1.00 9.65 H new ATOM 1777 N LYS A 110 23.346 -5.777 -0.621 1.00 11.40 N ATOM 1778 CA LYS A 110 24.485 -5.134 -1.264 1.00 12.34 C ATOM 1779 C LYS A 110 25.506 -4.669 -0.233 1.00 12.93 C ATOM 1780 O LYS A 110 26.707 -4.881 -0.400 1.00 13.70 O ATOM 1781 CB LYS A 110 24.035 -3.950 -2.129 1.00 12.53 C ATOM 1782 CG LYS A 110 23.462 -4.350 -3.486 1.00 12.99 C ATOM 1783 CD LYS A 110 22.138 -5.089 -3.360 1.00 13.18 C ATOM 1784 CE LYS A 110 21.041 -4.192 -2.811 1.00 13.26 C ATOM 1785 NZ LYS A 110 20.786 -3.018 -3.686 1.00 13.83 N ATOM 0 H LYS A 110 22.557 -5.156 -0.440 1.00 11.40 H new ATOM 0 HA LYS A 110 24.957 -5.875 -1.909 1.00 12.34 H new ATOM 0 HB2 LYS A 110 23.283 -3.380 -1.583 1.00 12.53 H new ATOM 0 HB3 LYS A 110 24.885 -3.286 -2.287 1.00 12.53 H new ATOM 0 HG2 LYS A 110 23.320 -3.457 -4.095 1.00 12.99 H new ATOM 0 HG3 LYS A 110 24.180 -4.982 -4.009 1.00 12.99 H new ATOM 0 HD2 LYS A 110 21.841 -5.471 -4.337 1.00 13.18 H new ATOM 0 HD3 LYS A 110 22.264 -5.951 -2.705 1.00 13.18 H new ATOM 0 HE2 LYS A 110 20.122 -4.769 -2.703 1.00 13.26 H new ATOM 0 HE3 LYS A 110 21.320 -3.847 -1.815 1.00 13.26 H new ATOM 0 HZ1 LYS A 110 19.873 -2.589 -3.433 1.00 13.83 H new ATOM 0 HZ2 LYS A 110 21.545 -2.318 -3.558 1.00 13.83 H new ATOM 0 HZ3 LYS A 110 20.761 -3.324 -4.680 1.00 13.83 H new ATOM 1799 N LYS A 111 25.028 -4.048 0.841 1.00 12.70 N ATOM 1800 CA LYS A 111 25.920 -3.527 1.872 1.00 13.45 C ATOM 1801 C LYS A 111 26.578 -4.648 2.669 1.00 13.69 C ATOM 1802 O LYS A 111 27.700 -4.493 3.151 1.00 14.58 O ATOM 1803 CB LYS A 111 25.184 -2.566 2.807 1.00 13.35 C ATOM 1804 CG LYS A 111 25.428 -1.102 2.473 1.00 13.65 C ATOM 1805 CD LYS A 111 24.707 -0.180 3.442 1.00 14.12 C ATOM 1806 CE LYS A 111 23.204 -0.209 3.225 1.00 14.42 C ATOM 1807 NZ LYS A 111 22.821 0.392 1.921 1.00 14.52 N ATOM 0 H LYS A 111 24.036 -3.894 1.020 1.00 12.70 H new ATOM 0 HA LYS A 111 26.708 -2.974 1.362 1.00 13.45 H new ATOM 0 HB2 LYS A 111 24.114 -2.770 2.759 1.00 13.35 H new ATOM 0 HB3 LYS A 111 25.498 -2.755 3.833 1.00 13.35 H new ATOM 0 HG2 LYS A 111 26.498 -0.895 2.501 1.00 13.65 H new ATOM 0 HG3 LYS A 111 25.090 -0.899 1.457 1.00 13.65 H new ATOM 0 HD2 LYS A 111 24.934 -0.478 4.466 1.00 14.12 H new ATOM 0 HD3 LYS A 111 25.074 0.839 3.318 1.00 14.12 H new ATOM 0 HE2 LYS A 111 22.851 -1.239 3.268 1.00 14.42 H new ATOM 0 HE3 LYS A 111 22.710 0.331 4.033 1.00 14.42 H new ATOM 0 HZ1 LYS A 111 22.247 1.243 2.086 1.00 14.52 H new ATOM 0 HZ2 LYS A 111 23.679 0.650 1.392 1.00 14.52 H new ATOM 0 HZ3 LYS A 111 22.269 -0.296 1.370 1.00 14.52 H new ATOM 1821 N MET A 112 25.895 -5.776 2.802 1.00 13.03 N ATOM 1822 CA MET A 112 26.478 -6.926 3.481 1.00 13.43 C ATOM 1823 C MET A 112 27.556 -7.568 2.630 1.00 13.93 C ATOM 1824 O MET A 112 28.487 -8.162 3.158 1.00 14.71 O ATOM 1825 CB MET A 112 25.419 -7.960 3.868 1.00 12.78 C ATOM 1826 CG MET A 112 24.560 -7.524 5.045 1.00 12.65 C ATOM 1827 SD MET A 112 23.403 -8.806 5.586 1.00 12.08 S ATOM 1828 CE MET A 112 22.532 -9.163 4.061 1.00 12.60 C ATOM 0 H MET A 112 24.947 -5.920 2.453 1.00 13.03 H new ATOM 0 HA MET A 112 26.931 -6.557 4.401 1.00 13.43 H new ATOM 0 HB2 MET A 112 24.777 -8.152 3.009 1.00 12.78 H new ATOM 0 HB3 MET A 112 25.911 -8.901 4.114 1.00 12.78 H new ATOM 0 HG2 MET A 112 25.207 -7.250 5.879 1.00 12.65 H new ATOM 0 HG3 MET A 112 24.001 -6.630 4.769 1.00 12.65 H new ATOM 0 HE1 MET A 112 21.762 -9.911 4.249 1.00 12.60 H new ATOM 0 HE2 MET A 112 22.068 -8.251 3.685 1.00 12.60 H new ATOM 0 HE3 MET A 112 23.236 -9.544 3.321 1.00 12.60 H new ATOM 1838 N LYS A 113 27.441 -7.441 1.317 1.00 13.65 N ATOM 1839 CA LYS A 113 28.476 -7.951 0.427 1.00 14.28 C ATOM 1840 C LYS A 113 29.725 -7.070 0.488 1.00 15.23 C ATOM 1841 O LYS A 113 30.845 -7.558 0.402 1.00 16.03 O ATOM 1842 CB LYS A 113 27.960 -8.048 -1.015 1.00 13.94 C ATOM 1843 CG LYS A 113 29.004 -8.526 -2.022 1.00 14.60 C ATOM 1844 CD LYS A 113 29.607 -9.868 -1.623 1.00 15.23 C ATOM 1845 CE LYS A 113 31.112 -9.765 -1.407 1.00 16.15 C ATOM 1846 NZ LYS A 113 31.851 -9.577 -2.682 1.00 16.72 N ATOM 0 H LYS A 113 26.653 -6.995 0.847 1.00 13.65 H new ATOM 0 HA LYS A 113 28.743 -8.953 0.763 1.00 14.28 H new ATOM 0 HB2 LYS A 113 27.109 -8.729 -1.040 1.00 13.94 H new ATOM 0 HB3 LYS A 113 27.594 -7.069 -1.325 1.00 13.94 H new ATOM 0 HG2 LYS A 113 28.545 -8.613 -3.007 1.00 14.60 H new ATOM 0 HG3 LYS A 113 29.796 -7.782 -2.104 1.00 14.60 H new ATOM 0 HD2 LYS A 113 29.131 -10.224 -0.709 1.00 15.23 H new ATOM 0 HD3 LYS A 113 29.400 -10.606 -2.398 1.00 15.23 H new ATOM 0 HE2 LYS A 113 31.325 -8.930 -0.739 1.00 16.15 H new ATOM 0 HE3 LYS A 113 31.469 -10.668 -0.912 1.00 16.15 H new ATOM 0 HZ1 LYS A 113 32.870 -9.512 -2.486 1.00 16.72 H new ATOM 0 HZ2 LYS A 113 31.670 -10.385 -3.311 1.00 16.72 H new ATOM 0 HZ3 LYS A 113 31.531 -8.702 -3.143 1.00 16.72 H new ATOM 1860 N LEU A 114 29.539 -5.773 0.654 1.00 15.27 N ATOM 1861 CA LEU A 114 30.664 -4.856 0.629 1.00 16.25 C ATOM 1862 C LEU A 114 31.195 -4.564 2.033 1.00 16.89 C ATOM 1863 O LEU A 114 32.320 -4.934 2.375 1.00 17.72 O ATOM 1864 CB LEU A 114 30.265 -3.547 -0.057 1.00 16.24 C ATOM 1865 CG LEU A 114 29.782 -3.692 -1.498 1.00 16.63 C ATOM 1866 CD1 LEU A 114 29.404 -2.333 -2.068 1.00 17.08 C ATOM 1867 CD2 LEU A 114 30.852 -4.355 -2.354 1.00 16.95 C ATOM 0 H LEU A 114 28.631 -5.335 0.806 1.00 15.27 H new ATOM 0 HA LEU A 114 31.463 -5.337 0.064 1.00 16.25 H new ATOM 0 HB2 LEU A 114 29.476 -3.074 0.528 1.00 16.24 H new ATOM 0 HB3 LEU A 114 31.121 -2.872 -0.043 1.00 16.24 H new ATOM 0 HG LEU A 114 28.896 -4.327 -1.506 1.00 16.63 H new ATOM 0 HD11 LEU A 114 29.062 -2.452 -3.096 1.00 17.08 H new ATOM 0 HD12 LEU A 114 28.606 -1.896 -1.468 1.00 17.08 H new ATOM 0 HD13 LEU A 114 30.273 -1.676 -2.049 1.00 17.08 H new ATOM 0 HD21 LEU A 114 30.491 -4.451 -3.378 1.00 16.95 H new ATOM 0 HD22 LEU A 114 31.756 -3.746 -2.343 1.00 16.95 H new ATOM 0 HD23 LEU A 114 31.076 -5.344 -1.955 1.00 16.95 H new ATOM 1879 N MET A 115 30.366 -3.924 2.845 1.00 16.60 N ATOM 1880 CA MET A 115 30.795 -3.415 4.143 1.00 17.37 C ATOM 1881 C MET A 115 30.727 -4.490 5.223 1.00 17.30 C ATOM 1882 O MET A 115 31.680 -4.680 5.981 1.00 18.16 O ATOM 1883 CB MET A 115 29.930 -2.214 4.535 1.00 17.40 C ATOM 1884 CG MET A 115 30.256 -1.633 5.902 1.00 18.36 C ATOM 1885 SD MET A 115 29.192 -0.240 6.329 1.00 18.37 S ATOM 1886 CE MET A 115 27.573 -1.000 6.197 1.00 17.17 C ATOM 0 H MET A 115 29.386 -3.743 2.627 1.00 16.60 H new ATOM 0 HA MET A 115 31.836 -3.105 4.057 1.00 17.37 H new ATOM 0 HB2 MET A 115 30.048 -1.434 3.783 1.00 17.40 H new ATOM 0 HB3 MET A 115 28.882 -2.514 4.520 1.00 17.40 H new ATOM 0 HG2 MET A 115 30.152 -2.411 6.658 1.00 18.36 H new ATOM 0 HG3 MET A 115 31.297 -1.310 5.918 1.00 18.36 H new ATOM 0 HE1 MET A 115 26.854 -0.429 6.784 1.00 17.17 H new ATOM 0 HE2 MET A 115 27.261 -1.012 5.153 1.00 17.17 H new ATOM 0 HE3 MET A 115 27.619 -2.022 6.574 1.00 17.17 H new ATOM 1896 N GLU A 116 29.607 -5.193 5.289 1.00 16.38 N ATOM 1897 CA GLU A 116 29.401 -6.207 6.317 1.00 16.41 C ATOM 1898 C GLU A 116 30.332 -7.397 6.117 1.00 16.77 C ATOM 1899 O GLU A 116 30.743 -8.054 7.073 1.00 17.19 O ATOM 1900 CB GLU A 116 27.950 -6.664 6.317 1.00 15.41 C ATOM 1901 CG GLU A 116 26.975 -5.554 6.662 1.00 15.12 C ATOM 1902 CD GLU A 116 27.155 -5.048 8.073 1.00 15.91 C ATOM 1903 OE1 GLU A 116 26.706 -5.741 9.008 1.00 16.27 O ATOM 1904 OE2 GLU A 116 27.731 -3.954 8.253 1.00 16.29 O ATOM 0 H GLU A 116 28.825 -5.082 4.644 1.00 16.38 H new ATOM 0 HA GLU A 116 29.634 -5.761 7.284 1.00 16.41 H new ATOM 0 HB2 GLU A 116 27.702 -7.065 5.334 1.00 15.41 H new ATOM 0 HB3 GLU A 116 27.832 -7.478 7.032 1.00 15.41 H new ATOM 0 HG2 GLU A 116 27.107 -4.728 5.963 1.00 15.12 H new ATOM 0 HG3 GLU A 116 25.955 -5.918 6.537 1.00 15.12 H new ATOM 1911 N LEU A 117 30.641 -7.667 4.865 1.00 16.72 N ATOM 1912 CA LEU A 117 31.540 -8.753 4.498 1.00 17.21 C ATOM 1913 C LEU A 117 32.972 -8.417 4.904 1.00 18.39 C ATOM 1914 O LEU A 117 33.705 -9.281 5.382 1.00 18.98 O ATOM 1915 CB LEU A 117 31.456 -9.003 2.984 1.00 17.03 C ATOM 1916 CG LEU A 117 31.805 -10.419 2.494 1.00 17.18 C ATOM 1917 CD1 LEU A 117 33.296 -10.692 2.597 1.00 18.26 C ATOM 1918 CD2 LEU A 117 31.015 -11.463 3.271 1.00 16.60 C ATOM 0 H LEU A 117 30.278 -7.142 4.069 1.00 16.72 H new ATOM 0 HA LEU A 117 31.239 -9.659 5.025 1.00 17.21 H new ATOM 0 HB2 LEU A 117 30.442 -8.771 2.657 1.00 17.03 H new ATOM 0 HB3 LEU A 117 32.121 -8.298 2.486 1.00 17.03 H new ATOM 0 HG LEU A 117 31.528 -10.483 1.442 1.00 17.18 H new ATOM 0 HD11 LEU A 117 33.506 -11.701 2.243 1.00 18.26 H new ATOM 0 HD12 LEU A 117 33.841 -9.972 1.986 1.00 18.26 H new ATOM 0 HD13 LEU A 117 33.612 -10.599 3.636 1.00 18.26 H new ATOM 0 HD21 LEU A 117 31.275 -12.458 2.911 1.00 16.60 H new ATOM 0 HD22 LEU A 117 31.256 -11.387 4.331 1.00 16.60 H new ATOM 0 HD23 LEU A 117 29.948 -11.293 3.128 1.00 16.60 H new ATOM 1930 N ALA A 118 33.341 -7.148 4.720 1.00 18.81 N ATOM 1931 CA ALA A 118 34.708 -6.681 4.930 1.00 19.94 C ATOM 1932 C ALA A 118 35.610 -7.279 3.867 1.00 20.25 C ATOM 1933 O ALA A 118 36.316 -8.265 4.092 1.00 20.88 O ATOM 1934 CB ALA A 118 35.218 -6.995 6.332 1.00 20.42 C ATOM 0 H ALA A 118 32.697 -6.416 4.421 1.00 18.81 H new ATOM 0 HA ALA A 118 34.717 -5.595 4.841 1.00 19.94 H new ATOM 0 HB1 ALA A 118 36.239 -6.628 6.439 1.00 20.42 H new ATOM 0 HB2 ALA A 118 34.579 -6.509 7.069 1.00 20.42 H new ATOM 0 HB3 ALA A 118 35.202 -8.073 6.492 1.00 20.42 H new ATOM 1940 N ILE A 119 35.542 -6.685 2.689 1.00 19.90 N ATOM 1941 CA ILE A 119 36.206 -7.215 1.512 1.00 20.25 C ATOM 1942 C ILE A 119 37.688 -6.852 1.482 1.00 21.12 C ATOM 1943 O ILE A 119 38.203 -6.194 2.390 1.00 21.13 O ATOM 1944 CB ILE A 119 35.522 -6.705 0.229 1.00 20.40 C ATOM 1945 CG1 ILE A 119 35.551 -5.171 0.181 1.00 20.16 C ATOM 1946 CG2 ILE A 119 34.089 -7.219 0.159 1.00 20.03 C ATOM 1947 CD1 ILE A 119 34.943 -4.582 -1.077 1.00 20.59 C ATOM 0 H ILE A 119 35.025 -5.822 2.522 1.00 19.90 H new ATOM 0 HA ILE A 119 36.125 -8.301 1.560 1.00 20.25 H new ATOM 0 HB ILE A 119 36.068 -7.084 -0.635 1.00 20.40 H new ATOM 0 HG12 ILE A 119 35.017 -4.780 1.047 1.00 20.16 H new ATOM 0 HG13 ILE A 119 36.584 -4.835 0.265 1.00 20.16 H new ATOM 0 HG21 ILE A 119 33.615 -6.853 -0.752 1.00 20.03 H new ATOM 0 HG22 ILE A 119 34.093 -8.309 0.152 1.00 20.03 H new ATOM 0 HG23 ILE A 119 33.532 -6.864 1.026 1.00 20.03 H new ATOM 0 HD11 ILE A 119 35.002 -3.494 -1.035 1.00 20.59 H new ATOM 0 HD12 ILE A 119 35.490 -4.941 -1.948 1.00 20.59 H new ATOM 0 HD13 ILE A 119 33.899 -4.886 -1.154 1.00 20.59 H new ATOM 1959 N LEU A 120 38.367 -7.287 0.430 1.00 21.92 N ATOM 1960 CA LEU A 120 39.792 -7.041 0.283 1.00 22.85 C ATOM 1961 C LEU A 120 40.063 -5.604 -0.136 1.00 23.12 C ATOM 1962 O LEU A 120 40.066 -5.278 -1.323 1.00 23.32 O ATOM 1963 CB LEU A 120 40.419 -8.013 -0.725 1.00 23.66 C ATOM 1964 CG LEU A 120 40.747 -9.411 -0.185 1.00 23.95 C ATOM 1965 CD1 LEU A 120 41.742 -9.312 0.958 1.00 23.98 C ATOM 1966 CD2 LEU A 120 39.487 -10.140 0.263 1.00 23.52 C ATOM 0 H LEU A 120 37.950 -7.815 -0.337 1.00 21.92 H new ATOM 0 HA LEU A 120 40.253 -7.207 1.257 1.00 22.85 H new ATOM 0 HB2 LEU A 120 39.739 -8.120 -1.570 1.00 23.66 H new ATOM 0 HB3 LEU A 120 41.337 -7.567 -1.109 1.00 23.66 H new ATOM 0 HG LEU A 120 41.196 -9.990 -0.993 1.00 23.95 H new ATOM 0 HD11 LEU A 120 41.967 -10.311 1.332 1.00 23.98 H new ATOM 0 HD12 LEU A 120 42.659 -8.843 0.602 1.00 23.98 H new ATOM 0 HD13 LEU A 120 41.315 -8.711 1.761 1.00 23.98 H new ATOM 0 HD21 LEU A 120 39.753 -11.127 0.640 1.00 23.52 H new ATOM 0 HD22 LEU A 120 38.998 -9.569 1.052 1.00 23.52 H new ATOM 0 HD23 LEU A 120 38.808 -10.246 -0.583 1.00 23.52 H new ATOM 1978 N ASN A 121 40.245 -4.746 0.854 1.00 23.21 N ATOM 1979 CA ASN A 121 40.639 -3.367 0.608 1.00 23.56 C ATOM 1980 C ASN A 121 41.803 -2.956 1.507 1.00 24.31 C ATOM 1981 O ASN A 121 41.608 -2.371 2.570 1.00 24.76 O ATOM 1982 CB ASN A 121 39.447 -2.398 0.759 1.00 23.18 C ATOM 1983 CG ASN A 121 38.527 -2.686 1.946 1.00 23.09 C ATOM 1984 OD1 ASN A 121 37.326 -2.425 1.881 1.00 23.47 O ATOM 1985 ND2 ASN A 121 39.069 -3.202 3.038 1.00 22.69 N ATOM 0 H ASN A 121 40.126 -4.980 1.840 1.00 23.21 H new ATOM 0 HA ASN A 121 40.978 -3.306 -0.426 1.00 23.56 H new ATOM 0 HB2 ASN A 121 39.833 -1.383 0.856 1.00 23.18 H new ATOM 0 HB3 ASN A 121 38.855 -2.428 -0.156 1.00 23.18 H new ATOM 0 HD21 ASN A 121 38.488 -3.393 3.854 1.00 22.69 H new ATOM 0 HD22 ASN A 121 40.068 -3.408 3.063 1.00 22.69 H new