USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 825 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 72 THR OG1 : rot 180:sc= -1.45! USER MOD Set 1.2: A 105 ASN : amide:sc= 0.0514 X(o=-1.4,f=-1.4) USER MOD Set 2.1: A 65 SER OG : rot 180:sc= 0.857 USER MOD Set 2.2: A 102 TYR OH : rot 24:sc= 0.787 USER MOD Set 3.1: A 89 ASN : amide:sc= 0.367 K(o=0.082,f=-7.1!) USER MOD Set 3.2: A 94 GLN : amide:sc= -0.285 K(o=0.082,f=-1.9) USER MOD Set 4.1: A 57 THR OG1 : rot -96:sc= 0.412 USER MOD Set 4.2: A 84 THR OG1 : rot 180:sc= 0.377 USER MOD Set 5.1: A 17 TYR OH : rot -18:sc= 1.13 USER MOD Set 5.2: A 29 HIS : no HE2:sc= -1.08 K(o=0.05,f=-0.52) USER MOD Set 6.1: A 13 GLN : amide:sc= -1.09 X(o=-2,f=-1.9) USER MOD Set 6.2: A 95 ASN : amide:sc= -0.871 X(o=-2,f=-1.9) USER MOD Set 7.1: A 6 LYS NZ :NH3+ -148:sc= 0.655 (180deg=-0.00203) USER MOD Set 7.2: A 38 SER OG : rot -170:sc= 0.581 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0733 (180deg=-0.403) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0166 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.145 X(o=0.14,f=-0.059) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2.4) USER MOD Single : A 19 TYR OH : rot 151:sc= -0.121 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 34:sc= 0.246 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -3.13! C(o=-3.1!,f=-4.8!) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0272) USER MOD Single : A 44 THR OG1 : rot -40:sc= 0.427 USER MOD Single : A 45 ASN : amide:sc= -0.768 K(o=-0.77,f=-0.0007) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0476) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.5) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 1.07 (180deg=0.897) USER MOD Single : A 77 MET CE :methyl -163:sc= -1.47 (180deg=-1.68) USER MOD Single : A 87 SER OG : rot -169:sc= 0.216 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 103 SER OG : rot 180:sc= 0.00033 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.357 -28.350 3.163 1.00 0.00 N ATOM 2 CA MET A 1 19.876 -28.343 3.241 1.00 0.00 C ATOM 3 C MET A 1 19.353 -26.924 3.007 1.00 0.00 C ATOM 4 O MET A 1 19.927 -25.961 3.514 1.00 0.00 O ATOM 5 CB MET A 1 19.399 -28.888 4.618 1.00 0.00 C ATOM 6 CG MET A 1 17.871 -29.025 4.771 1.00 0.00 C ATOM 7 SD MET A 1 17.373 -29.680 6.379 1.00 0.00 S ATOM 8 CE MET A 1 18.105 -31.325 6.354 1.00 0.00 C ATOM 0 H1 MET A 1 21.743 -28.922 3.941 1.00 0.00 H new ATOM 0 H2 MET A 1 21.655 -28.757 2.254 1.00 0.00 H new ATOM 0 H3 MET A 1 21.713 -27.376 3.239 1.00 0.00 H new ATOM 0 HA MET A 1 19.476 -28.996 2.465 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.854 -29.864 4.783 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.770 -28.227 5.402 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.409 -28.049 4.625 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.491 -29.679 3.986 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.640 -31.942 7.123 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.943 -31.780 5.377 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.175 -31.250 6.547 1.00 0.00 H new ATOM 20 N ILE A 2 18.283 -26.797 2.217 1.00 0.00 N ATOM 21 CA ILE A 2 17.636 -25.503 1.927 1.00 0.00 C ATOM 22 C ILE A 2 16.263 -25.451 2.630 1.00 0.00 C ATOM 23 O ILE A 2 15.609 -26.487 2.792 1.00 0.00 O ATOM 24 CB ILE A 2 17.457 -25.311 0.367 1.00 0.00 C ATOM 25 CG1 ILE A 2 18.817 -25.465 -0.389 1.00 0.00 C ATOM 26 CG2 ILE A 2 16.816 -23.943 0.046 1.00 0.00 C ATOM 27 CD1 ILE A 2 19.844 -24.376 -0.105 1.00 0.00 C ATOM 0 H ILE A 2 17.835 -27.589 1.756 1.00 0.00 H new ATOM 0 HA ILE A 2 18.267 -24.696 2.300 1.00 0.00 H new ATOM 0 HB ILE A 2 16.787 -26.097 0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 2 19.252 -26.430 -0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 2 18.619 -25.484 -1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 2 16.705 -23.838 -1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 2 15.836 -23.880 0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 2 17.454 -23.144 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 2 20.751 -24.573 -0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 2 19.437 -23.407 -0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 2 20.080 -24.367 0.959 1.00 0.00 H new ATOM 39 N GLU A 3 15.832 -24.251 3.051 1.00 0.00 N ATOM 40 CA GLU A 3 14.472 -24.020 3.577 1.00 0.00 C ATOM 41 C GLU A 3 13.801 -22.902 2.743 1.00 0.00 C ATOM 42 O GLU A 3 14.467 -21.921 2.398 1.00 0.00 O ATOM 43 CB GLU A 3 14.506 -23.647 5.090 1.00 0.00 C ATOM 44 CG GLU A 3 15.263 -22.351 5.434 1.00 0.00 C ATOM 45 CD GLU A 3 14.955 -21.827 6.845 1.00 0.00 C ATOM 46 OE1 GLU A 3 13.821 -21.382 7.080 1.00 0.00 O ATOM 47 OE2 GLU A 3 15.833 -21.866 7.724 1.00 0.00 O ATOM 0 H GLU A 3 16.414 -23.413 3.037 1.00 0.00 H new ATOM 0 HA GLU A 3 13.891 -24.938 3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.480 -23.554 5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.962 -24.471 5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 3 16.335 -22.529 5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 3 15.006 -21.583 4.704 1.00 0.00 H new ATOM 54 N PRO A 4 12.492 -23.039 2.355 1.00 0.00 N ATOM 55 CA PRO A 4 11.761 -21.953 1.657 1.00 0.00 C ATOM 56 C PRO A 4 11.462 -20.789 2.622 1.00 0.00 C ATOM 57 O PRO A 4 10.877 -21.000 3.690 1.00 0.00 O ATOM 58 CB PRO A 4 10.455 -22.641 1.160 1.00 0.00 C ATOM 59 CG PRO A 4 10.701 -24.116 1.332 1.00 0.00 C ATOM 60 CD PRO A 4 11.635 -24.243 2.512 1.00 0.00 C ATOM 0 HA PRO A 4 12.329 -21.512 0.838 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.592 -22.315 1.740 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.251 -22.394 0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.768 -24.649 1.513 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.145 -24.546 0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.098 -24.241 3.460 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.215 -25.165 2.476 1.00 0.00 H new ATOM 68 N ILE A 5 11.855 -19.568 2.239 1.00 0.00 N ATOM 69 CA ILE A 5 11.762 -18.381 3.100 1.00 0.00 C ATOM 70 C ILE A 5 11.061 -17.283 2.331 1.00 0.00 C ATOM 71 O ILE A 5 11.316 -17.069 1.141 1.00 0.00 O ATOM 72 CB ILE A 5 13.165 -17.858 3.592 1.00 0.00 C ATOM 73 CG1 ILE A 5 14.118 -17.593 2.389 1.00 0.00 C ATOM 74 CG2 ILE A 5 13.784 -18.843 4.590 1.00 0.00 C ATOM 75 CD1 ILE A 5 15.387 -16.850 2.719 1.00 0.00 C ATOM 0 H ILE A 5 12.249 -19.374 1.318 1.00 0.00 H new ATOM 0 HA ILE A 5 11.203 -18.666 3.992 1.00 0.00 H new ATOM 0 HB ILE A 5 13.017 -16.907 4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.384 -18.550 1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.573 -17.028 1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.752 -18.467 4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.124 -18.951 5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 5 13.916 -19.813 4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.978 -16.718 1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 5 15.139 -15.874 3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 5 15.963 -17.420 3.448 1.00 0.00 H new ATOM 87 N LYS A 6 10.139 -16.620 3.002 1.00 0.00 N ATOM 88 CA LYS A 6 9.313 -15.576 2.406 1.00 0.00 C ATOM 89 C LYS A 6 9.106 -14.474 3.435 1.00 0.00 C ATOM 90 O LYS A 6 8.783 -14.761 4.596 1.00 0.00 O ATOM 91 CB LYS A 6 7.932 -16.120 1.921 1.00 0.00 C ATOM 92 CG LYS A 6 7.935 -17.031 0.677 1.00 0.00 C ATOM 93 CD LYS A 6 8.276 -18.518 0.982 1.00 0.00 C ATOM 94 CE LYS A 6 8.679 -19.322 -0.262 1.00 0.00 C ATOM 95 NZ LYS A 6 7.640 -19.293 -1.321 1.00 0.00 N ATOM 0 H LYS A 6 9.937 -16.789 3.987 1.00 0.00 H new ATOM 0 HA LYS A 6 9.829 -15.190 1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.478 -16.672 2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.286 -15.267 1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.955 -16.984 0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.656 -16.644 -0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.089 -18.555 1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.412 -18.992 1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.611 -18.923 -0.662 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.872 -20.356 0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.656 -20.189 -1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.704 -19.164 -0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.830 -18.505 -1.972 1.00 0.00 H new ATOM 109 N ARG A 7 9.299 -13.220 3.017 1.00 0.00 N ATOM 110 CA ARG A 7 9.096 -12.047 3.874 1.00 0.00 C ATOM 111 C ARG A 7 7.909 -11.253 3.315 1.00 0.00 C ATOM 112 O ARG A 7 7.816 -11.039 2.101 1.00 0.00 O ATOM 113 CB ARG A 7 10.390 -11.194 3.950 1.00 0.00 C ATOM 114 CG ARG A 7 10.420 -10.189 5.126 1.00 0.00 C ATOM 115 CD ARG A 7 11.801 -9.525 5.294 1.00 0.00 C ATOM 116 NE ARG A 7 12.899 -10.520 5.360 1.00 0.00 N ATOM 117 CZ ARG A 7 14.195 -10.282 5.053 1.00 0.00 C ATOM 118 NH1 ARG A 7 14.590 -9.077 4.639 1.00 0.00 N ATOM 119 NH2 ARG A 7 15.081 -11.266 5.133 1.00 0.00 N ATOM 0 H ARG A 7 9.602 -12.988 2.071 1.00 0.00 H new ATOM 0 HA ARG A 7 8.871 -12.351 4.896 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.247 -11.862 4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.505 -10.645 3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.667 -9.419 4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.153 -10.705 6.048 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.979 -8.845 4.460 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.804 -8.923 6.203 1.00 0.00 H new ATOM 0 HE ARG A 7 12.657 -11.463 5.662 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.912 -8.320 4.550 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.570 -8.912 4.411 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.784 -12.197 5.425 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.059 -11.091 4.903 1.00 0.00 H new ATOM 133 N THR A 8 7.012 -10.818 4.196 1.00 0.00 N ATOM 134 CA THR A 8 5.701 -10.302 3.825 1.00 0.00 C ATOM 135 C THR A 8 5.753 -8.771 3.809 1.00 0.00 C ATOM 136 O THR A 8 5.778 -8.133 4.866 1.00 0.00 O ATOM 137 CB THR A 8 4.637 -10.818 4.860 1.00 0.00 C ATOM 138 OG1 THR A 8 4.743 -12.250 4.984 1.00 0.00 O ATOM 139 CG2 THR A 8 3.200 -10.468 4.458 1.00 0.00 C ATOM 0 H THR A 8 7.180 -10.815 5.202 1.00 0.00 H new ATOM 0 HA THR A 8 5.419 -10.651 2.832 1.00 0.00 H new ATOM 0 HB THR A 8 4.849 -10.322 5.807 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.081 -12.572 5.631 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.509 -10.849 5.210 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.096 -9.385 4.385 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.972 -10.920 3.493 1.00 0.00 H new ATOM 147 N GLN A 9 5.791 -8.192 2.609 1.00 0.00 N ATOM 148 CA GLN A 9 5.810 -6.745 2.422 1.00 0.00 C ATOM 149 C GLN A 9 4.387 -6.292 2.133 1.00 0.00 C ATOM 150 O GLN A 9 3.936 -6.327 0.991 1.00 0.00 O ATOM 151 CB GLN A 9 6.780 -6.358 1.270 1.00 0.00 C ATOM 152 CG GLN A 9 6.866 -4.853 0.934 1.00 0.00 C ATOM 153 CD GLN A 9 7.207 -3.977 2.148 1.00 0.00 C ATOM 154 OE1 GLN A 9 6.320 -3.444 2.823 1.00 0.00 O ATOM 155 NE2 GLN A 9 8.489 -3.868 2.452 1.00 0.00 N ATOM 0 H GLN A 9 5.810 -8.718 1.736 1.00 0.00 H new ATOM 0 HA GLN A 9 6.174 -6.247 3.321 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.779 -6.710 1.529 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.477 -6.894 0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.622 -4.703 0.163 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.914 -4.527 0.515 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.192 -4.323 1.869 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.775 -3.329 3.269 1.00 0.00 H new ATOM 164 N VAL A 10 3.655 -5.919 3.183 1.00 0.00 N ATOM 165 CA VAL A 10 2.317 -5.368 3.010 1.00 0.00 C ATOM 166 C VAL A 10 2.469 -3.857 2.822 1.00 0.00 C ATOM 167 O VAL A 10 3.013 -3.154 3.689 1.00 0.00 O ATOM 168 CB VAL A 10 1.339 -5.731 4.195 1.00 0.00 C ATOM 169 CG1 VAL A 10 1.264 -7.257 4.379 1.00 0.00 C ATOM 170 CG2 VAL A 10 1.703 -5.049 5.533 1.00 0.00 C ATOM 0 H VAL A 10 3.965 -5.989 4.152 1.00 0.00 H new ATOM 0 HA VAL A 10 1.849 -5.814 2.132 1.00 0.00 H new ATOM 0 HB VAL A 10 0.361 -5.343 3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.586 -7.492 5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.896 -7.716 3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.257 -7.645 4.606 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.987 -5.346 6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.705 -5.353 5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.674 -3.966 5.409 1.00 0.00 H new ATOM 180 N VAL A 11 2.046 -3.348 1.664 1.00 0.00 N ATOM 181 CA VAL A 11 2.153 -1.922 1.380 1.00 0.00 C ATOM 182 C VAL A 11 0.884 -1.280 1.901 1.00 0.00 C ATOM 183 O VAL A 11 -0.206 -1.498 1.374 1.00 0.00 O ATOM 184 CB VAL A 11 2.394 -1.611 -0.135 1.00 0.00 C ATOM 185 CG1 VAL A 11 2.376 -0.091 -0.400 1.00 0.00 C ATOM 186 CG2 VAL A 11 3.728 -2.233 -0.600 1.00 0.00 C ATOM 0 H VAL A 11 1.629 -3.900 0.914 1.00 0.00 H new ATOM 0 HA VAL A 11 3.031 -1.510 1.877 1.00 0.00 H new ATOM 0 HB VAL A 11 1.582 -2.057 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.546 0.095 -1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.408 0.317 -0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.162 0.389 0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.885 -2.010 -1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.548 -1.815 -0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.695 -3.313 -0.458 1.00 0.00 H new ATOM 196 N THR A 12 1.049 -0.554 3.000 1.00 0.00 N ATOM 197 CA THR A 12 -0.040 -0.013 3.785 1.00 0.00 C ATOM 198 C THR A 12 -0.325 1.424 3.336 1.00 0.00 C ATOM 199 O THR A 12 0.504 2.319 3.522 1.00 0.00 O ATOM 200 CB THR A 12 0.337 -0.063 5.303 1.00 0.00 C ATOM 201 OG1 THR A 12 0.692 -1.413 5.660 1.00 0.00 O ATOM 202 CG2 THR A 12 -0.799 0.424 6.219 1.00 0.00 C ATOM 0 H THR A 12 1.969 -0.323 3.375 1.00 0.00 H new ATOM 0 HA THR A 12 -0.941 -0.607 3.635 1.00 0.00 H new ATOM 0 HB THR A 12 1.179 0.613 5.449 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.931 -1.448 6.610 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.478 0.366 7.259 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.047 1.456 5.973 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.678 -0.205 6.075 1.00 0.00 H new ATOM 210 N GLN A 13 -1.458 1.596 2.651 1.00 0.00 N ATOM 211 CA GLN A 13 -2.011 2.905 2.305 1.00 0.00 C ATOM 212 C GLN A 13 -3.211 3.174 3.232 1.00 0.00 C ATOM 213 O GLN A 13 -4.256 2.536 3.086 1.00 0.00 O ATOM 214 CB GLN A 13 -2.433 2.913 0.813 1.00 0.00 C ATOM 215 CG GLN A 13 -2.871 4.288 0.273 1.00 0.00 C ATOM 216 CD GLN A 13 -3.380 4.272 -1.182 1.00 0.00 C ATOM 217 OE1 GLN A 13 -4.246 5.057 -1.550 1.00 0.00 O ATOM 218 NE2 GLN A 13 -2.830 3.411 -2.022 1.00 0.00 N ATOM 0 H GLN A 13 -2.025 0.817 2.317 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.270 3.692 2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.599 2.551 0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.253 2.207 0.678 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.658 4.682 0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.029 4.976 0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.111 2.767 -1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.125 3.391 -2.998 1.00 0.00 H new ATOM 227 N THR A 14 -3.039 4.071 4.214 1.00 0.00 N ATOM 228 CA THR A 14 -4.090 4.349 5.219 1.00 0.00 C ATOM 229 C THR A 14 -4.953 5.537 4.776 1.00 0.00 C ATOM 230 O THR A 14 -4.499 6.678 4.801 1.00 0.00 O ATOM 231 CB THR A 14 -3.451 4.623 6.619 1.00 0.00 C ATOM 232 OG1 THR A 14 -2.739 3.453 7.048 1.00 0.00 O ATOM 233 CG2 THR A 14 -4.486 4.999 7.693 1.00 0.00 C ATOM 0 H THR A 14 -2.187 4.618 4.338 1.00 0.00 H new ATOM 0 HA THR A 14 -4.731 3.471 5.302 1.00 0.00 H new ATOM 0 HB THR A 14 -2.782 5.476 6.503 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.334 3.619 7.925 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.978 5.176 8.641 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.014 5.903 7.389 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.200 4.184 7.811 1.00 0.00 H new ATOM 241 N ILE A 15 -6.197 5.274 4.348 1.00 0.00 N ATOM 242 CA ILE A 15 -7.089 6.347 3.879 1.00 0.00 C ATOM 243 C ILE A 15 -7.812 6.994 5.068 1.00 0.00 C ATOM 244 O ILE A 15 -8.423 6.304 5.902 1.00 0.00 O ATOM 245 CB ILE A 15 -8.117 5.878 2.775 1.00 0.00 C ATOM 246 CG1 ILE A 15 -7.404 5.625 1.412 1.00 0.00 C ATOM 247 CG2 ILE A 15 -9.265 6.903 2.580 1.00 0.00 C ATOM 248 CD1 ILE A 15 -6.377 4.516 1.382 1.00 0.00 C ATOM 0 H ILE A 15 -6.605 4.340 4.317 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.455 7.089 3.394 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.550 4.943 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.166 5.404 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.916 6.550 1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.949 6.541 1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.806 7.027 3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.848 7.862 2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.953 4.439 0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.583 4.736 2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.853 3.572 1.648 1.00 0.00 H new ATOM 260 N HIS A 16 -7.702 8.329 5.132 1.00 0.00 N ATOM 261 CA HIS A 16 -8.393 9.161 6.111 1.00 0.00 C ATOM 262 C HIS A 16 -9.426 10.010 5.372 1.00 0.00 C ATOM 263 O HIS A 16 -9.070 10.895 4.594 1.00 0.00 O ATOM 264 CB HIS A 16 -7.396 10.084 6.858 1.00 0.00 C ATOM 265 CG HIS A 16 -6.307 9.359 7.605 1.00 0.00 C ATOM 266 ND1 HIS A 16 -6.256 9.284 8.977 1.00 0.00 N ATOM 267 CD2 HIS A 16 -5.221 8.686 7.163 1.00 0.00 C ATOM 268 CE1 HIS A 16 -5.201 8.603 9.345 1.00 0.00 C ATOM 269 NE2 HIS A 16 -4.553 8.226 8.267 1.00 0.00 N ATOM 0 H HIS A 16 -7.118 8.865 4.490 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.877 8.523 6.850 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.936 10.759 6.136 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.952 10.702 7.563 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -4.934 8.539 6.132 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.912 8.387 10.363 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -3.692 7.679 8.254 1.00 0.00 H new ATOM 278 N TYR A 17 -10.701 9.707 5.567 1.00 0.00 N ATOM 279 CA TYR A 17 -11.786 10.543 5.081 1.00 0.00 C ATOM 280 C TYR A 17 -11.936 11.735 6.034 1.00 0.00 C ATOM 281 O TYR A 17 -12.210 11.537 7.217 1.00 0.00 O ATOM 282 CB TYR A 17 -13.094 9.719 5.029 1.00 0.00 C ATOM 283 CG TYR A 17 -13.029 8.450 4.161 1.00 0.00 C ATOM 284 CD1 TYR A 17 -12.693 8.517 2.809 1.00 0.00 C ATOM 285 CD2 TYR A 17 -13.318 7.190 4.688 1.00 0.00 C ATOM 286 CE1 TYR A 17 -12.651 7.388 2.021 1.00 0.00 C ATOM 287 CE2 TYR A 17 -13.280 6.060 3.901 1.00 0.00 C ATOM 288 CZ TYR A 17 -12.943 6.159 2.569 1.00 0.00 C ATOM 289 OH TYR A 17 -12.916 5.029 1.783 1.00 0.00 O ATOM 0 H TYR A 17 -11.011 8.874 6.067 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.571 10.904 4.075 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.366 9.433 6.045 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.893 10.358 4.653 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.460 9.476 2.370 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -13.576 7.099 5.733 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.390 7.467 0.976 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -13.514 5.096 4.328 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.961 5.286 0.838 1.00 0.00 H new ATOM 299 N ARG A 18 -11.679 12.954 5.538 1.00 0.00 N ATOM 300 CA ARG A 18 -11.867 14.202 6.321 1.00 0.00 C ATOM 301 C ARG A 18 -12.483 15.289 5.453 1.00 0.00 C ATOM 302 O ARG A 18 -12.394 15.234 4.237 1.00 0.00 O ATOM 303 CB ARG A 18 -10.536 14.742 6.898 1.00 0.00 C ATOM 304 CG ARG A 18 -9.786 13.796 7.847 1.00 0.00 C ATOM 305 CD ARG A 18 -8.633 14.514 8.555 1.00 0.00 C ATOM 306 NE ARG A 18 -7.744 15.209 7.605 1.00 0.00 N ATOM 307 CZ ARG A 18 -6.667 15.937 7.927 1.00 0.00 C ATOM 308 NH1 ARG A 18 -6.299 16.107 9.204 1.00 0.00 N ATOM 309 NH2 ARG A 18 -5.959 16.497 6.958 1.00 0.00 N ATOM 0 H ARG A 18 -11.337 13.111 4.590 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.530 13.948 7.148 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.876 14.991 6.067 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.743 15.671 7.430 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.479 13.397 8.588 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.397 12.947 7.285 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.037 15.235 9.266 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.054 13.790 9.129 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.970 15.128 6.614 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.843 15.678 9.953 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.475 16.665 9.427 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.237 16.371 5.985 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.136 17.055 7.185 1.00 0.00 H new ATOM 323 N TYR A 19 -13.074 16.291 6.115 1.00 0.00 N ATOM 324 CA TYR A 19 -13.693 17.458 5.467 1.00 0.00 C ATOM 325 C TYR A 19 -12.678 18.610 5.386 1.00 0.00 C ATOM 326 O TYR A 19 -11.632 18.572 6.051 1.00 0.00 O ATOM 327 CB TYR A 19 -14.943 17.903 6.270 1.00 0.00 C ATOM 328 CG TYR A 19 -15.965 16.780 6.477 1.00 0.00 C ATOM 329 CD1 TYR A 19 -15.776 15.821 7.471 1.00 0.00 C ATOM 330 CD2 TYR A 19 -17.105 16.666 5.680 1.00 0.00 C ATOM 331 CE1 TYR A 19 -16.670 14.799 7.663 1.00 0.00 C ATOM 332 CE2 TYR A 19 -18.006 15.639 5.873 1.00 0.00 C ATOM 333 CZ TYR A 19 -17.785 14.708 6.868 1.00 0.00 C ATOM 334 OH TYR A 19 -18.682 13.672 7.056 1.00 0.00 O ATOM 0 H TYR A 19 -13.138 16.316 7.133 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.000 17.187 4.457 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.626 18.279 7.243 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.424 18.731 5.749 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.904 15.884 8.105 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.285 17.392 4.901 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.497 14.067 8.438 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -18.883 15.564 5.247 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.580 13.966 6.796 1.00 0.00 H new ATOM 344 N GLU A 20 -13.021 19.649 4.610 1.00 0.00 N ATOM 345 CA GLU A 20 -12.154 20.830 4.406 1.00 0.00 C ATOM 346 C GLU A 20 -11.988 21.649 5.705 1.00 0.00 C ATOM 347 O GLU A 20 -10.963 22.309 5.913 1.00 0.00 O ATOM 348 CB GLU A 20 -12.727 21.735 3.285 1.00 0.00 C ATOM 349 CG GLU A 20 -14.125 22.323 3.583 1.00 0.00 C ATOM 350 CD GLU A 20 -14.545 23.426 2.606 1.00 0.00 C ATOM 351 OE1 GLU A 20 -13.782 24.400 2.443 1.00 0.00 O ATOM 352 OE2 GLU A 20 -15.629 23.338 2.006 1.00 0.00 O ATOM 0 H GLU A 20 -13.906 19.699 4.104 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.171 20.464 4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.032 22.556 3.109 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.779 21.158 2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.862 21.521 3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.133 22.724 4.597 1.00 0.00 H new ATOM 359 N ASP A 21 -13.007 21.562 6.576 1.00 0.00 N ATOM 360 CA ASP A 21 -13.084 22.309 7.841 1.00 0.00 C ATOM 361 C ASP A 21 -12.075 21.777 8.873 1.00 0.00 C ATOM 362 O ASP A 21 -11.783 22.459 9.859 1.00 0.00 O ATOM 363 CB ASP A 21 -14.519 22.191 8.421 1.00 0.00 C ATOM 364 CG ASP A 21 -15.619 22.594 7.423 1.00 0.00 C ATOM 365 OD1 ASP A 21 -15.957 21.774 6.536 1.00 0.00 O ATOM 366 OD2 ASP A 21 -16.141 23.727 7.512 1.00 0.00 O ATOM 0 H ASP A 21 -13.815 20.959 6.417 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.842 23.351 7.634 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.689 21.163 8.742 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.597 22.819 9.308 1.00 0.00 H new ATOM 371 N GLY A 22 -11.555 20.551 8.644 1.00 0.00 N ATOM 372 CA GLY A 22 -10.653 19.889 9.596 1.00 0.00 C ATOM 373 C GLY A 22 -11.330 18.745 10.334 1.00 0.00 C ATOM 374 O GLY A 22 -10.660 17.961 11.007 1.00 0.00 O ATOM 0 H GLY A 22 -11.748 20.004 7.805 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.781 19.509 9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.291 20.620 10.318 1.00 0.00 H new ATOM 378 N ALA A 23 -12.674 18.668 10.226 1.00 0.00 N ATOM 379 CA ALA A 23 -13.473 17.585 10.835 1.00 0.00 C ATOM 380 C ALA A 23 -13.092 16.220 10.228 1.00 0.00 C ATOM 381 O ALA A 23 -12.885 16.123 9.020 1.00 0.00 O ATOM 382 CB ALA A 23 -14.978 17.857 10.653 1.00 0.00 C ATOM 0 H ALA A 23 -13.233 19.352 9.716 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.255 17.557 11.903 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -15.551 17.049 11.108 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.238 18.801 11.132 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.211 17.914 9.590 1.00 0.00 H new ATOM 388 N VAL A 24 -12.983 15.175 11.071 1.00 0.00 N ATOM 389 CA VAL A 24 -12.580 13.823 10.621 1.00 0.00 C ATOM 390 C VAL A 24 -13.828 12.935 10.455 1.00 0.00 C ATOM 391 O VAL A 24 -14.619 12.795 11.390 1.00 0.00 O ATOM 392 CB VAL A 24 -11.573 13.143 11.625 1.00 0.00 C ATOM 393 CG1 VAL A 24 -11.022 11.818 11.051 1.00 0.00 C ATOM 394 CG2 VAL A 24 -10.430 14.112 12.009 1.00 0.00 C ATOM 0 H VAL A 24 -13.169 15.239 12.072 1.00 0.00 H new ATOM 0 HA VAL A 24 -12.071 13.932 9.664 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.120 12.903 12.536 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.330 11.372 11.765 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.847 11.130 10.867 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.499 12.016 10.115 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.750 13.617 12.702 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.884 14.404 11.112 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.849 14.999 12.484 1.00 0.00 H new ATOM 404 N ALA A 25 -13.999 12.358 9.255 1.00 0.00 N ATOM 405 CA ALA A 25 -15.114 11.444 8.950 1.00 0.00 C ATOM 406 C ALA A 25 -14.779 10.007 9.408 1.00 0.00 C ATOM 407 O ALA A 25 -15.470 9.439 10.260 1.00 0.00 O ATOM 408 CB ALA A 25 -15.417 11.501 7.438 1.00 0.00 C ATOM 0 H ALA A 25 -13.369 12.511 8.468 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.004 11.757 9.496 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.241 10.827 7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -15.692 12.519 7.160 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.532 11.198 6.878 1.00 0.00 H new ATOM 414 N HIS A 26 -13.693 9.438 8.841 1.00 0.00 N ATOM 415 CA HIS A 26 -13.181 8.083 9.173 1.00 0.00 C ATOM 416 C HIS A 26 -11.664 8.050 8.902 1.00 0.00 C ATOM 417 O HIS A 26 -11.247 8.001 7.743 1.00 0.00 O ATOM 418 CB HIS A 26 -13.864 6.956 8.326 1.00 0.00 C ATOM 419 CG HIS A 26 -15.324 6.694 8.611 1.00 0.00 C ATOM 420 ND1 HIS A 26 -15.749 5.803 9.569 1.00 0.00 N ATOM 421 CD2 HIS A 26 -16.452 7.186 8.033 1.00 0.00 C ATOM 422 CE1 HIS A 26 -17.063 5.753 9.573 1.00 0.00 C ATOM 423 NE2 HIS A 26 -17.516 6.583 8.654 1.00 0.00 N ATOM 0 H HIS A 26 -13.137 9.911 8.129 1.00 0.00 H new ATOM 0 HA HIS A 26 -13.408 7.892 10.222 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -13.762 7.212 7.271 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -13.313 6.029 8.484 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -16.501 7.913 7.236 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -17.669 5.136 10.220 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -18.499 6.750 8.439 1.00 0.00 H new ATOM 432 N ASP A 27 -10.852 8.070 9.972 1.00 0.00 N ATOM 433 CA ASP A 27 -9.368 8.069 9.867 1.00 0.00 C ATOM 434 C ASP A 27 -8.822 6.685 9.455 1.00 0.00 C ATOM 435 O ASP A 27 -7.694 6.565 8.962 1.00 0.00 O ATOM 436 CB ASP A 27 -8.724 8.518 11.211 1.00 0.00 C ATOM 437 CG ASP A 27 -8.957 7.532 12.371 1.00 0.00 C ATOM 438 OD1 ASP A 27 -10.033 7.587 13.000 1.00 0.00 O ATOM 439 OD2 ASP A 27 -8.066 6.703 12.662 1.00 0.00 O ATOM 0 H ASP A 27 -11.195 8.087 10.932 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.099 8.780 9.086 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.651 8.646 11.065 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.126 9.492 11.488 1.00 0.00 H new ATOM 444 N ASP A 28 -9.639 5.647 9.666 1.00 0.00 N ATOM 445 CA ASP A 28 -9.267 4.254 9.442 1.00 0.00 C ATOM 446 C ASP A 28 -10.044 3.676 8.255 1.00 0.00 C ATOM 447 O ASP A 28 -11.209 3.295 8.394 1.00 0.00 O ATOM 448 CB ASP A 28 -9.530 3.438 10.739 1.00 0.00 C ATOM 449 CG ASP A 28 -9.258 1.927 10.594 1.00 0.00 C ATOM 450 OD1 ASP A 28 -8.110 1.552 10.299 1.00 0.00 O ATOM 451 OD2 ASP A 28 -10.190 1.111 10.770 1.00 0.00 O ATOM 0 H ASP A 28 -10.595 5.759 10.004 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.206 4.194 9.199 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.904 3.834 11.539 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.567 3.583 11.043 1.00 0.00 H new ATOM 456 N HIS A 29 -9.409 3.686 7.079 1.00 0.00 N ATOM 457 CA HIS A 29 -9.874 2.931 5.910 1.00 0.00 C ATOM 458 C HIS A 29 -8.636 2.473 5.132 1.00 0.00 C ATOM 459 O HIS A 29 -8.274 3.022 4.093 1.00 0.00 O ATOM 460 CB HIS A 29 -10.844 3.779 5.047 1.00 0.00 C ATOM 461 CG HIS A 29 -11.618 2.980 4.019 1.00 0.00 C ATOM 462 ND1 HIS A 29 -12.985 2.789 4.075 1.00 0.00 N ATOM 463 CD2 HIS A 29 -11.218 2.363 2.891 1.00 0.00 C ATOM 464 CE1 HIS A 29 -13.379 2.094 3.031 1.00 0.00 C ATOM 465 NE2 HIS A 29 -12.327 1.826 2.302 1.00 0.00 N ATOM 0 H HIS A 29 -8.556 4.219 6.910 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.447 2.056 6.217 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.550 4.285 5.705 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.274 4.554 4.535 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -13.596 3.135 4.815 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.205 2.304 2.520 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.394 1.796 2.813 1.00 0.00 H new ATOM 474 N VAL A 30 -7.970 1.472 5.684 1.00 0.00 N ATOM 475 CA VAL A 30 -6.631 1.059 5.262 1.00 0.00 C ATOM 476 C VAL A 30 -6.696 -0.045 4.195 1.00 0.00 C ATOM 477 O VAL A 30 -7.351 -1.067 4.400 1.00 0.00 O ATOM 478 CB VAL A 30 -5.825 0.547 6.508 1.00 0.00 C ATOM 479 CG1 VAL A 30 -4.366 0.219 6.132 1.00 0.00 C ATOM 480 CG2 VAL A 30 -5.910 1.566 7.672 1.00 0.00 C ATOM 0 H VAL A 30 -8.345 0.912 6.449 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.129 1.921 4.823 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.280 -0.382 6.853 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.833 -0.133 7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.353 -0.557 5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.879 1.115 5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.345 1.192 8.525 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.493 2.521 7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.952 1.704 7.960 1.00 0.00 H new ATOM 490 N VAL A 31 -6.035 0.183 3.051 1.00 0.00 N ATOM 491 CA VAL A 31 -5.791 -0.854 2.037 1.00 0.00 C ATOM 492 C VAL A 31 -4.301 -1.268 2.112 1.00 0.00 C ATOM 493 O VAL A 31 -3.405 -0.453 1.885 1.00 0.00 O ATOM 494 CB VAL A 31 -6.197 -0.353 0.590 1.00 0.00 C ATOM 495 CG1 VAL A 31 -5.551 1.000 0.228 1.00 0.00 C ATOM 496 CG2 VAL A 31 -5.899 -1.414 -0.499 1.00 0.00 C ATOM 0 H VAL A 31 -5.653 1.095 2.802 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.415 -1.725 2.240 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.276 -0.199 0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.863 1.296 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.867 1.758 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.466 0.904 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.193 -1.027 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.833 -1.640 -0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.461 -2.323 -0.285 1.00 0.00 H new ATOM 506 N SER A 32 -4.051 -2.531 2.482 1.00 0.00 N ATOM 507 CA SER A 32 -2.700 -3.097 2.573 1.00 0.00 C ATOM 508 C SER A 32 -2.624 -4.342 1.685 1.00 0.00 C ATOM 509 O SER A 32 -3.351 -5.317 1.916 1.00 0.00 O ATOM 510 CB SER A 32 -2.339 -3.420 4.047 1.00 0.00 C ATOM 511 OG SER A 32 -3.294 -4.283 4.655 1.00 0.00 O ATOM 0 H SER A 32 -4.787 -3.193 2.728 1.00 0.00 H new ATOM 0 HA SER A 32 -1.969 -2.369 2.220 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.354 -3.886 4.085 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.275 -2.492 4.616 1.00 0.00 H new ATOM 0 HG SER A 32 -3.641 -4.909 3.986 1.00 0.00 H new ATOM 517 N LEU A 33 -1.760 -4.297 0.665 1.00 0.00 N ATOM 518 CA LEU A 33 -1.608 -5.401 -0.307 1.00 0.00 C ATOM 519 C LEU A 33 -0.413 -6.269 0.103 1.00 0.00 C ATOM 520 O LEU A 33 0.669 -5.744 0.346 1.00 0.00 O ATOM 521 CB LEU A 33 -1.410 -4.839 -1.734 1.00 0.00 C ATOM 522 CG LEU A 33 -2.614 -4.059 -2.345 1.00 0.00 C ATOM 523 CD1 LEU A 33 -2.210 -3.410 -3.678 1.00 0.00 C ATOM 524 CD2 LEU A 33 -3.848 -4.968 -2.527 1.00 0.00 C ATOM 0 H LEU A 33 -1.147 -3.502 0.485 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.511 -6.011 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.544 -4.177 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.169 -5.669 -2.398 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.892 -3.272 -1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.061 -2.869 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.386 -2.716 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.896 -4.183 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.666 -4.389 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.598 -5.792 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.153 -5.366 -1.559 1.00 0.00 H new ATOM 536 N ILE A 34 -0.623 -7.589 0.173 1.00 0.00 N ATOM 537 CA ILE A 34 0.376 -8.546 0.681 1.00 0.00 C ATOM 538 C ILE A 34 1.308 -8.974 -0.474 1.00 0.00 C ATOM 539 O ILE A 34 0.906 -9.754 -1.337 1.00 0.00 O ATOM 540 CB ILE A 34 -0.318 -9.825 1.336 1.00 0.00 C ATOM 541 CG1 ILE A 34 -1.177 -9.454 2.607 1.00 0.00 C ATOM 542 CG2 ILE A 34 0.727 -10.918 1.698 1.00 0.00 C ATOM 543 CD1 ILE A 34 -2.474 -8.687 2.349 1.00 0.00 C ATOM 0 H ILE A 34 -1.495 -8.029 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 34 0.958 -8.055 1.461 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.995 -10.226 0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.424 -10.376 3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.556 -8.860 3.278 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.219 -11.774 2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.250 -11.234 0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.445 -10.513 2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.975 -8.490 3.297 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.246 -7.742 1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.127 -9.281 1.710 1.00 0.00 H new ATOM 555 N PHE A 35 2.548 -8.453 -0.490 1.00 0.00 N ATOM 556 CA PHE A 35 3.570 -8.823 -1.490 1.00 0.00 C ATOM 557 C PHE A 35 4.516 -9.875 -0.879 1.00 0.00 C ATOM 558 O PHE A 35 5.306 -9.563 0.020 1.00 0.00 O ATOM 559 CB PHE A 35 4.376 -7.571 -1.957 1.00 0.00 C ATOM 560 CG PHE A 35 3.532 -6.499 -2.655 1.00 0.00 C ATOM 561 CD1 PHE A 35 2.782 -5.582 -1.925 1.00 0.00 C ATOM 562 CD2 PHE A 35 3.490 -6.407 -4.042 1.00 0.00 C ATOM 563 CE1 PHE A 35 2.021 -4.615 -2.556 1.00 0.00 C ATOM 564 CE2 PHE A 35 2.735 -5.441 -4.670 1.00 0.00 C ATOM 565 CZ PHE A 35 1.997 -4.545 -3.928 1.00 0.00 C ATOM 0 H PHE A 35 2.871 -7.764 0.189 1.00 0.00 H new ATOM 0 HA PHE A 35 3.074 -9.242 -2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.864 -7.125 -1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.165 -7.894 -2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.794 -5.626 -0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.059 -7.105 -4.637 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.445 -3.914 -1.970 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.722 -5.386 -5.749 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.402 -3.791 -4.422 1.00 0.00 H new ATOM 575 N THR A 36 4.392 -11.122 -1.341 1.00 0.00 N ATOM 576 CA THR A 36 5.281 -12.216 -0.949 1.00 0.00 C ATOM 577 C THR A 36 6.622 -12.058 -1.667 1.00 0.00 C ATOM 578 O THR A 36 6.737 -12.316 -2.877 1.00 0.00 O ATOM 579 CB THR A 36 4.643 -13.598 -1.283 1.00 0.00 C ATOM 580 OG1 THR A 36 3.333 -13.681 -0.689 1.00 0.00 O ATOM 581 CG2 THR A 36 5.507 -14.770 -0.792 1.00 0.00 C ATOM 0 H THR A 36 3.667 -11.401 -2.002 1.00 0.00 H new ATOM 0 HA THR A 36 5.440 -12.175 0.129 1.00 0.00 H new ATOM 0 HB THR A 36 4.571 -13.674 -2.368 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.932 -14.550 -0.901 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.022 -15.712 -1.047 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.486 -14.725 -1.269 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.627 -14.705 0.289 1.00 0.00 H new ATOM 589 N GLN A 37 7.618 -11.578 -0.916 1.00 0.00 N ATOM 590 CA GLN A 37 9.005 -11.607 -1.344 1.00 0.00 C ATOM 591 C GLN A 37 9.484 -13.030 -1.102 1.00 0.00 C ATOM 592 O GLN A 37 9.690 -13.412 0.046 1.00 0.00 O ATOM 593 CB GLN A 37 9.860 -10.598 -0.534 1.00 0.00 C ATOM 594 CG GLN A 37 11.217 -10.238 -1.187 1.00 0.00 C ATOM 595 CD GLN A 37 11.088 -9.219 -2.332 1.00 0.00 C ATOM 596 OE1 GLN A 37 10.078 -9.142 -3.032 1.00 0.00 O ATOM 597 NE2 GLN A 37 12.111 -8.428 -2.532 1.00 0.00 N ATOM 0 H GLN A 37 7.477 -11.160 0.004 1.00 0.00 H new ATOM 0 HA GLN A 37 9.101 -11.322 -2.392 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.284 -9.683 -0.394 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.046 -11.012 0.457 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.884 -9.835 -0.425 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.681 -11.147 -1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.939 -8.506 -1.942 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.080 -7.733 -3.278 1.00 0.00 H new ATOM 606 N SER A 38 9.542 -13.838 -2.153 1.00 0.00 N ATOM 607 CA SER A 38 9.859 -15.262 -2.018 1.00 0.00 C ATOM 608 C SER A 38 11.327 -15.524 -2.340 1.00 0.00 C ATOM 609 O SER A 38 11.913 -14.894 -3.228 1.00 0.00 O ATOM 610 CB SER A 38 8.913 -16.101 -2.902 1.00 0.00 C ATOM 611 OG SER A 38 9.233 -17.480 -2.866 1.00 0.00 O ATOM 0 H SER A 38 9.374 -13.535 -3.112 1.00 0.00 H new ATOM 0 HA SER A 38 9.702 -15.565 -0.983 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.885 -15.959 -2.568 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.967 -15.744 -3.930 1.00 0.00 H new ATOM 0 HG SER A 38 8.719 -17.953 -3.553 1.00 0.00 H new ATOM 617 N GLY A 39 11.898 -16.460 -1.588 1.00 0.00 N ATOM 618 CA GLY A 39 13.277 -16.884 -1.762 1.00 0.00 C ATOM 619 C GLY A 39 13.518 -18.240 -1.131 1.00 0.00 C ATOM 620 O GLY A 39 12.559 -18.962 -0.801 1.00 0.00 O ATOM 0 H GLY A 39 11.410 -16.947 -0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.515 -16.927 -2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.945 -16.148 -1.315 1.00 0.00 H new ATOM 624 N LYS A 40 14.793 -18.585 -0.952 1.00 0.00 N ATOM 625 CA LYS A 40 15.211 -19.848 -0.319 1.00 0.00 C ATOM 626 C LYS A 40 16.510 -19.614 0.467 1.00 0.00 C ATOM 627 O LYS A 40 17.300 -18.744 0.102 1.00 0.00 O ATOM 628 CB LYS A 40 15.322 -20.984 -1.386 1.00 0.00 C ATOM 629 CG LYS A 40 16.250 -20.733 -2.610 1.00 0.00 C ATOM 630 CD LYS A 40 17.755 -20.941 -2.313 1.00 0.00 C ATOM 631 CE LYS A 40 18.628 -20.797 -3.568 1.00 0.00 C ATOM 632 NZ LYS A 40 18.419 -21.899 -4.546 1.00 0.00 N ATOM 0 H LYS A 40 15.574 -17.996 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 40 14.459 -20.184 0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.667 -21.886 -0.882 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.320 -21.192 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.954 -21.400 -3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.098 -19.714 -2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.078 -20.217 -1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.904 -21.931 -1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.409 -19.844 -4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.677 -20.772 -3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.092 -21.798 -5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.571 -22.814 -4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 17.447 -21.856 -4.915 1.00 0.00 H new ATOM 646 N ARG A 41 16.737 -20.377 1.545 1.00 0.00 N ATOM 647 CA ARG A 41 17.859 -20.130 2.476 1.00 0.00 C ATOM 648 C ARG A 41 18.795 -21.340 2.529 1.00 0.00 C ATOM 649 O ARG A 41 18.359 -22.462 2.811 1.00 0.00 O ATOM 650 CB ARG A 41 17.331 -19.816 3.900 1.00 0.00 C ATOM 651 CG ARG A 41 18.416 -19.456 4.941 1.00 0.00 C ATOM 652 CD ARG A 41 17.838 -19.281 6.352 1.00 0.00 C ATOM 653 NE ARG A 41 16.751 -18.284 6.384 1.00 0.00 N ATOM 654 CZ ARG A 41 15.881 -18.119 7.389 1.00 0.00 C ATOM 655 NH1 ARG A 41 15.945 -18.860 8.489 1.00 0.00 N ATOM 656 NH2 ARG A 41 14.932 -17.200 7.286 1.00 0.00 N ATOM 0 H ARG A 41 16.157 -21.177 1.799 1.00 0.00 H new ATOM 0 HA ARG A 41 18.416 -19.268 2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.625 -18.988 3.834 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.775 -20.681 4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 41 19.175 -20.239 4.957 1.00 0.00 H new ATOM 0 HG3 ARG A 41 18.914 -18.535 4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 41 17.462 -20.239 6.711 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.632 -18.974 7.033 1.00 0.00 H new ATOM 0 HE ARG A 41 16.654 -17.670 5.575 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.668 -19.573 8.582 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.271 -18.716 9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.868 -16.625 6.446 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.265 -17.068 8.047 1.00 0.00 H new ATOM 670 N ASP A 42 20.080 -21.083 2.266 1.00 0.00 N ATOM 671 CA ASP A 42 21.160 -22.059 2.431 1.00 0.00 C ATOM 672 C ASP A 42 21.470 -22.198 3.919 1.00 0.00 C ATOM 673 O ASP A 42 21.900 -21.233 4.541 1.00 0.00 O ATOM 674 CB ASP A 42 22.402 -21.569 1.660 1.00 0.00 C ATOM 675 CG ASP A 42 23.646 -22.435 1.853 1.00 0.00 C ATOM 676 OD1 ASP A 42 23.683 -23.572 1.355 1.00 0.00 O ATOM 677 OD2 ASP A 42 24.594 -21.986 2.516 1.00 0.00 O ATOM 0 H ASP A 42 20.403 -20.177 1.927 1.00 0.00 H new ATOM 0 HA ASP A 42 20.864 -23.031 2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 42 22.163 -21.529 0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 42 22.631 -20.550 1.973 1.00 0.00 H new ATOM 682 N LEU A 43 21.236 -23.386 4.479 1.00 0.00 N ATOM 683 CA LEU A 43 21.455 -23.653 5.914 1.00 0.00 C ATOM 684 C LEU A 43 22.925 -23.906 6.257 1.00 0.00 C ATOM 685 O LEU A 43 23.285 -23.866 7.436 1.00 0.00 O ATOM 686 CB LEU A 43 20.604 -24.867 6.370 1.00 0.00 C ATOM 687 CG LEU A 43 19.059 -24.625 6.444 1.00 0.00 C ATOM 688 CD1 LEU A 43 18.318 -25.885 6.931 1.00 0.00 C ATOM 689 CD2 LEU A 43 18.729 -23.403 7.320 1.00 0.00 C ATOM 0 H LEU A 43 20.890 -24.192 3.958 1.00 0.00 H new ATOM 0 HA LEU A 43 21.146 -22.754 6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.791 -25.695 5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.951 -25.181 7.354 1.00 0.00 H new ATOM 0 HG LEU A 43 18.708 -24.410 5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 43 17.247 -25.685 6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 43 18.507 -26.708 6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 43 18.674 -26.155 7.925 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.649 -23.260 7.353 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.104 -23.568 8.330 1.00 0.00 H new ATOM 0 HD23 LEU A 43 19.200 -22.515 6.898 1.00 0.00 H new ATOM 701 N THR A 44 23.765 -24.168 5.252 1.00 0.00 N ATOM 702 CA THR A 44 25.154 -24.569 5.493 1.00 0.00 C ATOM 703 C THR A 44 25.986 -23.349 5.930 1.00 0.00 C ATOM 704 O THR A 44 26.795 -23.422 6.863 1.00 0.00 O ATOM 705 CB THR A 44 25.781 -25.250 4.236 1.00 0.00 C ATOM 706 OG1 THR A 44 26.151 -24.284 3.241 1.00 0.00 O ATOM 707 CG2 THR A 44 24.816 -26.253 3.592 1.00 0.00 C ATOM 0 H THR A 44 23.509 -24.110 4.266 1.00 0.00 H new ATOM 0 HA THR A 44 25.161 -25.306 6.296 1.00 0.00 H new ATOM 0 HB THR A 44 26.669 -25.773 4.590 1.00 0.00 H new ATOM 0 HG1 THR A 44 25.463 -23.588 3.189 1.00 0.00 H new ATOM 0 HG21 THR A 44 25.289 -26.705 2.721 1.00 0.00 H new ATOM 0 HG22 THR A 44 24.565 -27.031 4.313 1.00 0.00 H new ATOM 0 HG23 THR A 44 23.907 -25.737 3.284 1.00 0.00 H new ATOM 715 N ASN A 45 25.759 -22.233 5.229 1.00 0.00 N ATOM 716 CA ASN A 45 26.352 -20.921 5.552 1.00 0.00 C ATOM 717 C ASN A 45 25.361 -20.088 6.382 1.00 0.00 C ATOM 718 O ASN A 45 25.768 -19.250 7.196 1.00 0.00 O ATOM 719 CB ASN A 45 26.730 -20.181 4.238 1.00 0.00 C ATOM 720 CG ASN A 45 27.419 -18.832 4.463 1.00 0.00 C ATOM 721 OD1 ASN A 45 28.642 -18.761 4.562 1.00 0.00 O ATOM 722 ND2 ASN A 45 26.639 -17.762 4.568 1.00 0.00 N ATOM 0 H ASN A 45 25.151 -22.210 4.410 1.00 0.00 H new ATOM 0 HA ASN A 45 27.257 -21.066 6.143 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.388 -20.820 3.649 1.00 0.00 H new ATOM 0 HB3 ASN A 45 25.827 -20.023 3.649 1.00 0.00 H new ATOM 0 HD21 ASN A 45 27.052 -16.845 4.736 1.00 0.00 H new ATOM 0 HD22 ASN A 45 25.627 -17.858 4.480 1.00 0.00 H new ATOM 729 N GLY A 46 24.054 -20.331 6.172 1.00 0.00 N ATOM 730 CA GLY A 46 22.995 -19.580 6.869 1.00 0.00 C ATOM 731 C GLY A 46 22.658 -18.280 6.147 1.00 0.00 C ATOM 732 O GLY A 46 22.206 -17.307 6.762 1.00 0.00 O ATOM 0 H GLY A 46 23.707 -21.040 5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 46 22.100 -20.197 6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 46 23.316 -19.359 7.887 1.00 0.00 H new ATOM 736 N LYS A 47 22.890 -18.289 4.825 1.00 0.00 N ATOM 737 CA LYS A 47 22.647 -17.140 3.942 1.00 0.00 C ATOM 738 C LYS A 47 21.249 -17.245 3.320 1.00 0.00 C ATOM 739 O LYS A 47 20.829 -18.336 2.915 1.00 0.00 O ATOM 740 CB LYS A 47 23.729 -17.070 2.823 1.00 0.00 C ATOM 741 CG LYS A 47 23.938 -18.382 2.047 1.00 0.00 C ATOM 742 CD LYS A 47 24.935 -18.252 0.875 1.00 0.00 C ATOM 743 CE LYS A 47 24.389 -17.390 -0.275 1.00 0.00 C ATOM 744 NZ LYS A 47 25.368 -17.251 -1.390 1.00 0.00 N ATOM 0 H LYS A 47 23.256 -19.105 4.334 1.00 0.00 H new ATOM 0 HA LYS A 47 22.706 -16.227 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.452 -16.287 2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 47 24.677 -16.774 3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 47 24.296 -19.149 2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.978 -18.723 1.661 1.00 0.00 H new ATOM 0 HD2 LYS A 47 25.865 -17.816 1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 47 25.176 -19.245 0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 47 23.469 -17.835 -0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 47 24.131 -16.401 0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 24.956 -16.662 -2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 26.237 -16.802 -1.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 25.595 -18.191 -1.772 1.00 0.00 H new ATOM 758 N GLU A 48 20.528 -16.118 3.260 1.00 0.00 N ATOM 759 CA GLU A 48 19.229 -16.038 2.597 1.00 0.00 C ATOM 760 C GLU A 48 19.427 -15.625 1.148 1.00 0.00 C ATOM 761 O GLU A 48 19.911 -14.527 0.871 1.00 0.00 O ATOM 762 CB GLU A 48 18.328 -15.013 3.316 1.00 0.00 C ATOM 763 CG GLU A 48 17.988 -15.387 4.764 1.00 0.00 C ATOM 764 CD GLU A 48 16.904 -14.492 5.381 1.00 0.00 C ATOM 765 OE1 GLU A 48 17.140 -13.276 5.557 1.00 0.00 O ATOM 766 OE2 GLU A 48 15.802 -14.999 5.675 1.00 0.00 O ATOM 0 H GLU A 48 20.834 -15.236 3.672 1.00 0.00 H new ATOM 0 HA GLU A 48 18.746 -17.015 2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.823 -14.042 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.401 -14.902 2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.655 -16.424 4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.891 -15.323 5.371 1.00 0.00 H new ATOM 773 N ILE A 49 19.055 -16.510 0.232 1.00 0.00 N ATOM 774 CA ILE A 49 19.099 -16.224 -1.202 1.00 0.00 C ATOM 775 C ILE A 49 17.718 -15.703 -1.607 1.00 0.00 C ATOM 776 O ILE A 49 16.807 -16.475 -1.945 1.00 0.00 O ATOM 777 CB ILE A 49 19.502 -17.452 -2.114 1.00 0.00 C ATOM 778 CG1 ILE A 49 20.876 -18.076 -1.693 1.00 0.00 C ATOM 779 CG2 ILE A 49 19.527 -17.021 -3.605 1.00 0.00 C ATOM 780 CD1 ILE A 49 20.843 -18.943 -0.438 1.00 0.00 C ATOM 0 H ILE A 49 18.715 -17.445 0.458 1.00 0.00 H new ATOM 0 HA ILE A 49 19.888 -15.489 -1.364 1.00 0.00 H new ATOM 0 HB ILE A 49 18.748 -18.227 -1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 49 21.251 -18.678 -2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 49 21.591 -17.268 -1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 49 19.805 -17.873 -4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 49 18.539 -16.666 -3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 49 20.254 -16.221 -3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 49 21.843 -19.326 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.503 -18.346 0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.159 -19.778 -0.590 1.00 0.00 H new ATOM 792 N TRP A 50 17.549 -14.390 -1.479 1.00 0.00 N ATOM 793 CA TRP A 50 16.404 -13.676 -2.024 1.00 0.00 C ATOM 794 C TRP A 50 16.689 -13.454 -3.502 1.00 0.00 C ATOM 795 O TRP A 50 17.781 -12.986 -3.851 1.00 0.00 O ATOM 796 CB TRP A 50 16.204 -12.340 -1.268 1.00 0.00 C ATOM 797 CG TRP A 50 15.921 -12.543 0.208 1.00 0.00 C ATOM 798 CD1 TRP A 50 16.764 -12.326 1.266 1.00 0.00 C ATOM 799 CD2 TRP A 50 14.705 -13.041 0.764 1.00 0.00 C ATOM 800 NE1 TRP A 50 16.133 -12.644 2.443 1.00 0.00 N ATOM 801 CE2 TRP A 50 14.862 -13.086 2.159 1.00 0.00 C ATOM 802 CE3 TRP A 50 13.496 -13.446 0.205 1.00 0.00 C ATOM 803 CZ2 TRP A 50 13.841 -13.526 3.003 1.00 0.00 C ATOM 804 CZ3 TRP A 50 12.496 -13.882 1.036 1.00 0.00 C ATOM 805 CH2 TRP A 50 12.666 -13.920 2.417 1.00 0.00 C ATOM 0 H TRP A 50 18.211 -13.788 -0.989 1.00 0.00 H new ATOM 0 HA TRP A 50 15.480 -14.243 -1.905 1.00 0.00 H new ATOM 0 HB2 TRP A 50 17.097 -11.725 -1.382 1.00 0.00 H new ATOM 0 HB3 TRP A 50 15.378 -11.791 -1.720 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.776 -11.959 1.186 1.00 0.00 H new ATOM 0 HE1 TRP A 50 16.540 -12.565 3.375 1.00 0.00 H new ATOM 0 HE3 TRP A 50 13.348 -13.417 -0.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 13.971 -13.555 4.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 11.557 -14.203 0.610 1.00 0.00 H new ATOM 0 HH2 TRP A 50 11.855 -14.267 3.040 1.00 0.00 H new ATOM 816 N ASP A 51 15.733 -13.831 -4.367 1.00 0.00 N ATOM 817 CA ASP A 51 15.948 -13.807 -5.814 1.00 0.00 C ATOM 818 C ASP A 51 16.220 -12.363 -6.292 1.00 0.00 C ATOM 819 O ASP A 51 15.447 -11.437 -6.005 1.00 0.00 O ATOM 820 CB ASP A 51 14.763 -14.450 -6.560 1.00 0.00 C ATOM 821 CG ASP A 51 15.008 -14.589 -8.073 1.00 0.00 C ATOM 822 OD1 ASP A 51 14.685 -13.655 -8.835 1.00 0.00 O ATOM 823 OD2 ASP A 51 15.560 -15.626 -8.506 1.00 0.00 O ATOM 0 H ASP A 51 14.808 -14.155 -4.085 1.00 0.00 H new ATOM 0 HA ASP A 51 16.830 -14.404 -6.047 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.567 -15.435 -6.137 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.869 -13.849 -6.396 1.00 0.00 H new ATOM 828 N SER A 52 17.345 -12.207 -7.003 1.00 0.00 N ATOM 829 CA SER A 52 17.888 -10.910 -7.430 1.00 0.00 C ATOM 830 C SER A 52 16.949 -10.186 -8.418 1.00 0.00 C ATOM 831 O SER A 52 16.915 -8.957 -8.455 1.00 0.00 O ATOM 832 CB SER A 52 19.285 -11.135 -8.056 1.00 0.00 C ATOM 833 OG SER A 52 19.917 -9.915 -8.409 1.00 0.00 O ATOM 0 H SER A 52 17.916 -12.997 -7.304 1.00 0.00 H new ATOM 0 HA SER A 52 17.975 -10.263 -6.557 1.00 0.00 H new ATOM 0 HB2 SER A 52 19.914 -11.677 -7.350 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.187 -11.761 -8.943 1.00 0.00 H new ATOM 0 HG SER A 52 20.796 -10.103 -8.799 1.00 0.00 H new ATOM 839 N LYS A 53 16.179 -10.961 -9.194 1.00 0.00 N ATOM 840 CA LYS A 53 15.241 -10.424 -10.197 1.00 0.00 C ATOM 841 C LYS A 53 13.795 -10.381 -9.666 1.00 0.00 C ATOM 842 O LYS A 53 12.895 -9.961 -10.401 1.00 0.00 O ATOM 843 CB LYS A 53 15.282 -11.305 -11.476 1.00 0.00 C ATOM 844 CG LYS A 53 16.650 -11.373 -12.191 1.00 0.00 C ATOM 845 CD LYS A 53 16.600 -12.267 -13.454 1.00 0.00 C ATOM 846 CE LYS A 53 17.919 -12.266 -14.244 1.00 0.00 C ATOM 847 NZ LYS A 53 18.230 -10.932 -14.829 1.00 0.00 N ATOM 0 H LYS A 53 16.187 -11.980 -9.146 1.00 0.00 H new ATOM 0 HA LYS A 53 15.552 -9.404 -10.424 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.980 -12.318 -11.209 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.541 -10.927 -12.181 1.00 0.00 H new ATOM 0 HG2 LYS A 53 16.963 -10.367 -12.471 1.00 0.00 H new ATOM 0 HG3 LYS A 53 17.400 -11.760 -11.502 1.00 0.00 H new ATOM 0 HD2 LYS A 53 16.360 -13.289 -13.160 1.00 0.00 H new ATOM 0 HD3 LYS A 53 15.794 -11.925 -14.103 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.733 -12.570 -13.586 1.00 0.00 H new ATOM 0 HE3 LYS A 53 17.861 -13.005 -15.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 19.062 -11.010 -15.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.416 -10.598 -15.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 18.429 -10.256 -14.065 1.00 0.00 H new ATOM 861 N TRP A 54 13.568 -10.825 -8.410 1.00 0.00 N ATOM 862 CA TRP A 54 12.206 -10.963 -7.852 1.00 0.00 C ATOM 863 C TRP A 54 11.524 -9.596 -7.693 1.00 0.00 C ATOM 864 O TRP A 54 12.110 -8.648 -7.144 1.00 0.00 O ATOM 865 CB TRP A 54 12.211 -11.721 -6.493 1.00 0.00 C ATOM 866 CG TRP A 54 10.827 -12.120 -5.997 1.00 0.00 C ATOM 867 CD1 TRP A 54 10.002 -11.403 -5.176 1.00 0.00 C ATOM 868 CD2 TRP A 54 10.112 -13.324 -6.315 1.00 0.00 C ATOM 869 NE1 TRP A 54 8.827 -12.078 -4.975 1.00 0.00 N ATOM 870 CE2 TRP A 54 8.871 -13.259 -5.658 1.00 0.00 C ATOM 871 CE3 TRP A 54 10.401 -14.453 -7.094 1.00 0.00 C ATOM 872 CZ2 TRP A 54 7.921 -14.269 -5.754 1.00 0.00 C ATOM 873 CZ3 TRP A 54 9.456 -15.458 -7.190 1.00 0.00 C ATOM 874 CH2 TRP A 54 8.230 -15.361 -6.524 1.00 0.00 C ATOM 0 H TRP A 54 14.311 -11.094 -7.764 1.00 0.00 H new ATOM 0 HA TRP A 54 11.633 -11.554 -8.566 1.00 0.00 H new ATOM 0 HB2 TRP A 54 12.822 -12.618 -6.592 1.00 0.00 H new ATOM 0 HB3 TRP A 54 12.687 -11.092 -5.741 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.242 -10.441 -4.747 1.00 0.00 H new ATOM 0 HE1 TRP A 54 8.046 -11.751 -4.407 1.00 0.00 H new ATOM 0 HE3 TRP A 54 11.346 -14.537 -7.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.974 -14.196 -5.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.668 -16.332 -7.789 1.00 0.00 H new ATOM 0 HH2 TRP A 54 7.512 -16.162 -6.618 1.00 0.00 H new ATOM 885 N SER A 55 10.283 -9.523 -8.190 1.00 0.00 N ATOM 886 CA SER A 55 9.385 -8.391 -7.978 1.00 0.00 C ATOM 887 C SER A 55 7.941 -8.888 -7.997 1.00 0.00 C ATOM 888 O SER A 55 7.595 -9.775 -8.787 1.00 0.00 O ATOM 889 CB SER A 55 9.608 -7.297 -9.046 1.00 0.00 C ATOM 890 OG SER A 55 9.361 -7.764 -10.360 1.00 0.00 O ATOM 0 H SER A 55 9.872 -10.263 -8.759 1.00 0.00 H new ATOM 0 HA SER A 55 9.598 -7.942 -7.008 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.955 -6.450 -8.836 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.633 -6.933 -8.980 1.00 0.00 H new ATOM 0 HG SER A 55 9.513 -7.037 -11.000 1.00 0.00 H new ATOM 896 N LEU A 56 7.110 -8.333 -7.119 1.00 0.00 N ATOM 897 CA LEU A 56 5.688 -8.687 -7.001 1.00 0.00 C ATOM 898 C LEU A 56 4.883 -7.397 -7.275 1.00 0.00 C ATOM 899 O LEU A 56 5.217 -6.346 -6.730 1.00 0.00 O ATOM 900 CB LEU A 56 5.418 -9.277 -5.565 1.00 0.00 C ATOM 901 CG LEU A 56 4.254 -10.321 -5.419 1.00 0.00 C ATOM 902 CD1 LEU A 56 2.860 -9.717 -5.716 1.00 0.00 C ATOM 903 CD2 LEU A 56 4.524 -11.577 -6.287 1.00 0.00 C ATOM 0 H LEU A 56 7.404 -7.614 -6.458 1.00 0.00 H new ATOM 0 HA LEU A 56 5.388 -9.453 -7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.337 -9.747 -5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.210 -8.445 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 56 4.236 -10.624 -4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.097 -10.487 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.662 -8.901 -5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.838 -9.337 -6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.703 -12.285 -6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.603 -11.285 -7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.456 -12.045 -5.970 1.00 0.00 H new ATOM 915 N THR A 57 3.850 -7.467 -8.138 1.00 0.00 N ATOM 916 CA THR A 57 3.024 -6.298 -8.501 1.00 0.00 C ATOM 917 C THR A 57 1.563 -6.547 -8.122 1.00 0.00 C ATOM 918 O THR A 57 0.992 -7.582 -8.494 1.00 0.00 O ATOM 919 CB THR A 57 3.112 -5.961 -10.031 1.00 0.00 C ATOM 920 OG1 THR A 57 4.488 -5.817 -10.404 1.00 0.00 O ATOM 921 CG2 THR A 57 2.359 -4.660 -10.402 1.00 0.00 C ATOM 0 H THR A 57 3.566 -8.330 -8.601 1.00 0.00 H new ATOM 0 HA THR A 57 3.415 -5.445 -7.946 1.00 0.00 H new ATOM 0 HB THR A 57 2.639 -6.783 -10.569 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.735 -4.869 -10.384 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.454 -4.477 -11.472 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.305 -4.763 -10.144 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.787 -3.822 -9.851 1.00 0.00 H new ATOM 929 N GLN A 58 0.974 -5.595 -7.380 1.00 0.00 N ATOM 930 CA GLN A 58 -0.457 -5.596 -7.041 1.00 0.00 C ATOM 931 C GLN A 58 -0.972 -4.157 -7.117 1.00 0.00 C ATOM 932 O GLN A 58 -0.262 -3.211 -6.758 1.00 0.00 O ATOM 933 CB GLN A 58 -0.741 -6.212 -5.637 1.00 0.00 C ATOM 934 CG GLN A 58 -0.477 -7.724 -5.522 1.00 0.00 C ATOM 935 CD GLN A 58 -0.856 -8.326 -4.169 1.00 0.00 C ATOM 936 OE1 GLN A 58 -1.743 -7.836 -3.471 1.00 0.00 O ATOM 937 NE2 GLN A 58 -0.207 -9.418 -3.812 1.00 0.00 N ATOM 0 H GLN A 58 1.482 -4.798 -6.996 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.982 -6.227 -7.758 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.127 -5.695 -4.900 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.782 -6.020 -5.377 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.034 -8.239 -6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.581 -7.912 -5.707 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.523 -9.797 -4.415 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.435 -9.883 -2.933 1.00 0.00 H new ATOM 946 N THR A 59 -2.221 -4.029 -7.556 1.00 0.00 N ATOM 947 CA THR A 59 -2.846 -2.755 -7.909 1.00 0.00 C ATOM 948 C THR A 59 -3.589 -2.124 -6.721 1.00 0.00 C ATOM 949 O THR A 59 -4.451 -2.766 -6.110 1.00 0.00 O ATOM 950 CB THR A 59 -3.860 -2.999 -9.063 1.00 0.00 C ATOM 951 OG1 THR A 59 -3.240 -3.785 -10.091 1.00 0.00 O ATOM 952 CG2 THR A 59 -4.393 -1.685 -9.669 1.00 0.00 C ATOM 0 H THR A 59 -2.843 -4.828 -7.680 1.00 0.00 H new ATOM 0 HA THR A 59 -2.057 -2.067 -8.213 1.00 0.00 H new ATOM 0 HB THR A 59 -4.712 -3.531 -8.639 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.881 -3.939 -10.816 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.097 -1.913 -10.470 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.898 -1.106 -8.896 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.561 -1.106 -10.070 1.00 0.00 H new ATOM 960 N PHE A 60 -3.239 -0.875 -6.389 1.00 0.00 N ATOM 961 CA PHE A 60 -4.058 -0.035 -5.506 1.00 0.00 C ATOM 962 C PHE A 60 -5.160 0.628 -6.335 1.00 0.00 C ATOM 963 O PHE A 60 -4.867 1.434 -7.228 1.00 0.00 O ATOM 964 CB PHE A 60 -3.201 1.031 -4.768 1.00 0.00 C ATOM 965 CG PHE A 60 -2.421 0.457 -3.597 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.043 0.272 -2.364 1.00 0.00 C ATOM 967 CD2 PHE A 60 -1.094 0.087 -3.724 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.355 -0.261 -1.300 1.00 0.00 C ATOM 969 CE2 PHE A 60 -0.406 -0.446 -2.655 1.00 0.00 C ATOM 970 CZ PHE A 60 -1.039 -0.619 -1.446 1.00 0.00 C ATOM 0 H PHE A 60 -2.388 -0.421 -6.721 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.506 -0.665 -4.737 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.505 1.483 -5.475 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.852 1.828 -4.408 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -4.079 0.551 -2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.592 0.217 -4.671 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.850 -0.398 -0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.631 -0.728 -2.767 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.499 -1.038 -0.610 1.00 0.00 H new ATOM 980 N GLU A 61 -6.401 0.197 -6.063 1.00 0.00 N ATOM 981 CA GLU A 61 -7.637 0.811 -6.561 1.00 0.00 C ATOM 982 C GLU A 61 -8.826 0.203 -5.800 1.00 0.00 C ATOM 983 O GLU A 61 -8.644 -0.344 -4.704 1.00 0.00 O ATOM 984 CB GLU A 61 -7.806 0.644 -8.098 1.00 0.00 C ATOM 985 CG GLU A 61 -7.955 -0.806 -8.594 1.00 0.00 C ATOM 986 CD GLU A 61 -8.379 -0.878 -10.063 1.00 0.00 C ATOM 987 OE1 GLU A 61 -9.598 -0.877 -10.343 1.00 0.00 O ATOM 988 OE2 GLU A 61 -7.498 -0.911 -10.944 1.00 0.00 O ATOM 0 H GLU A 61 -6.575 -0.615 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.591 1.885 -6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.683 1.209 -8.413 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.944 1.092 -8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.008 -1.330 -8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.692 -1.324 -7.980 1.00 0.00 H new ATOM 995 N ALA A 62 -10.047 0.364 -6.361 1.00 0.00 N ATOM 996 CA ALA A 62 -11.320 -0.160 -5.808 1.00 0.00 C ATOM 997 C ALA A 62 -11.702 0.492 -4.463 1.00 0.00 C ATOM 998 O ALA A 62 -12.737 0.155 -3.884 1.00 0.00 O ATOM 999 CB ALA A 62 -11.291 -1.702 -5.711 1.00 0.00 C ATOM 0 H ALA A 62 -10.179 0.875 -7.234 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.106 0.117 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.237 -2.059 -5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.142 -2.126 -6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.474 -2.010 -5.058 1.00 0.00 H new ATOM 1005 N LEU A 63 -10.872 1.439 -3.999 1.00 0.00 N ATOM 1006 CA LEU A 63 -10.990 2.063 -2.688 1.00 0.00 C ATOM 1007 C LEU A 63 -12.032 3.199 -2.815 1.00 0.00 C ATOM 1008 O LEU A 63 -11.784 4.170 -3.527 1.00 0.00 O ATOM 1009 CB LEU A 63 -9.573 2.575 -2.235 1.00 0.00 C ATOM 1010 CG LEU A 63 -9.317 2.728 -0.699 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -10.218 3.802 -0.056 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -9.469 1.363 0.003 1.00 0.00 C ATOM 0 H LEU A 63 -10.086 1.794 -4.543 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.330 1.366 -1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.825 1.890 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.400 3.544 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.292 3.075 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.001 3.869 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.027 4.767 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.264 3.531 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.289 1.481 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.478 0.983 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.747 0.659 -0.411 1.00 0.00 H new ATOM 1024 N PRO A 64 -13.211 3.086 -2.134 1.00 0.00 N ATOM 1025 CA PRO A 64 -14.316 4.057 -2.276 1.00 0.00 C ATOM 1026 C PRO A 64 -14.140 5.322 -1.403 1.00 0.00 C ATOM 1027 O PRO A 64 -13.034 5.630 -0.935 1.00 0.00 O ATOM 1028 CB PRO A 64 -15.529 3.206 -1.828 1.00 0.00 C ATOM 1029 CG PRO A 64 -14.982 2.339 -0.739 1.00 0.00 C ATOM 1030 CD PRO A 64 -13.566 2.005 -1.162 1.00 0.00 C ATOM 0 HA PRO A 64 -14.398 4.469 -3.282 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.345 3.833 -1.467 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -15.925 2.611 -2.651 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -14.993 2.858 0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.580 1.435 -0.619 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -12.887 1.997 -0.310 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.510 1.019 -1.624 1.00 0.00 H new ATOM 1038 N SER A 65 -15.248 6.054 -1.230 1.00 0.00 N ATOM 1039 CA SER A 65 -15.341 7.226 -0.350 1.00 0.00 C ATOM 1040 C SER A 65 -16.826 7.439 -0.020 1.00 0.00 C ATOM 1041 O SER A 65 -17.635 7.507 -0.952 1.00 0.00 O ATOM 1042 CB SER A 65 -14.736 8.477 -1.042 1.00 0.00 C ATOM 1043 OG SER A 65 -14.832 9.652 -0.252 1.00 0.00 O ATOM 0 H SER A 65 -16.124 5.843 -1.708 1.00 0.00 H new ATOM 0 HA SER A 65 -14.774 7.064 0.567 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.688 8.286 -1.272 1.00 0.00 H new ATOM 0 HB3 SER A 65 -15.246 8.642 -1.991 1.00 0.00 H new ATOM 0 HG SER A 65 -14.435 10.405 -0.737 1.00 0.00 H new ATOM 1049 N PRO A 66 -17.224 7.493 1.299 1.00 0.00 N ATOM 1050 CA PRO A 66 -18.638 7.666 1.706 1.00 0.00 C ATOM 1051 C PRO A 66 -19.264 8.906 1.033 1.00 0.00 C ATOM 1052 O PRO A 66 -18.714 10.009 1.125 1.00 0.00 O ATOM 1053 CB PRO A 66 -18.563 7.806 3.258 1.00 0.00 C ATOM 1054 CG PRO A 66 -17.135 8.127 3.549 1.00 0.00 C ATOM 1055 CD PRO A 66 -16.349 7.398 2.486 1.00 0.00 C ATOM 0 HA PRO A 66 -19.276 6.836 1.402 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.225 8.594 3.615 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.869 6.884 3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.955 9.201 3.507 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -16.851 7.795 4.548 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.379 7.864 2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.159 6.362 2.765 1.00 0.00 H new ATOM 1063 N VAL A 67 -20.370 8.683 0.303 1.00 0.00 N ATOM 1064 CA VAL A 67 -21.050 9.722 -0.480 1.00 0.00 C ATOM 1065 C VAL A 67 -21.687 10.754 0.468 1.00 0.00 C ATOM 1066 O VAL A 67 -22.641 10.440 1.186 1.00 0.00 O ATOM 1067 CB VAL A 67 -22.139 9.087 -1.427 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -22.906 10.165 -2.228 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -21.496 8.049 -2.373 1.00 0.00 C ATOM 0 H VAL A 67 -20.818 7.769 0.241 1.00 0.00 H new ATOM 0 HA VAL A 67 -20.316 10.226 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 67 -22.867 8.577 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -23.646 9.685 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -23.408 10.843 -1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -22.205 10.728 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -22.263 7.621 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -20.736 8.536 -2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -21.035 7.256 -1.784 1.00 0.00 H new ATOM 1079 N ILE A 68 -21.114 11.964 0.501 1.00 0.00 N ATOM 1080 CA ILE A 68 -21.565 13.052 1.381 1.00 0.00 C ATOM 1081 C ILE A 68 -22.152 14.172 0.513 1.00 0.00 C ATOM 1082 O ILE A 68 -21.418 14.861 -0.198 1.00 0.00 O ATOM 1083 CB ILE A 68 -20.375 13.581 2.269 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -19.698 12.393 3.012 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -20.860 14.641 3.276 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -18.498 12.759 3.846 1.00 0.00 C ATOM 0 H ILE A 68 -20.319 12.218 -0.086 1.00 0.00 H new ATOM 0 HA ILE A 68 -22.333 12.683 2.061 1.00 0.00 H new ATOM 0 HB ILE A 68 -19.643 14.055 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -20.438 11.919 3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -19.395 11.649 2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -20.017 14.987 3.874 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -21.293 15.484 2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -21.614 14.203 3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -18.099 11.863 4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -17.733 13.202 3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -18.792 13.477 4.612 1.00 0.00 H new ATOM 1098 N ILE A 69 -23.487 14.311 0.569 1.00 0.00 N ATOM 1099 CA ILE A 69 -24.254 15.205 -0.303 1.00 0.00 C ATOM 1100 C ILE A 69 -24.041 16.674 0.107 1.00 0.00 C ATOM 1101 O ILE A 69 -24.271 17.047 1.257 1.00 0.00 O ATOM 1102 CB ILE A 69 -25.777 14.813 -0.279 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -25.977 13.313 -0.694 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -26.625 15.743 -1.173 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -25.470 12.951 -2.089 1.00 0.00 C ATOM 0 H ILE A 69 -24.068 13.797 1.231 1.00 0.00 H new ATOM 0 HA ILE A 69 -23.896 15.094 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 69 -26.125 14.938 0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -25.470 12.680 0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.039 13.076 -0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -27.670 15.437 -1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -26.532 16.770 -0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -26.273 15.679 -2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -25.654 11.894 -2.280 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -25.993 13.551 -2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -24.400 13.149 -2.150 1.00 0.00 H new ATOM 1117 N GLY A 70 -23.607 17.496 -0.860 1.00 0.00 N ATOM 1118 CA GLY A 70 -23.190 18.871 -0.604 1.00 0.00 C ATOM 1119 C GLY A 70 -21.687 19.009 -0.474 1.00 0.00 C ATOM 1120 O GLY A 70 -21.189 20.076 -0.109 1.00 0.00 O ATOM 0 H GLY A 70 -23.537 17.220 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -23.541 19.510 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -23.664 19.226 0.311 1.00 0.00 H new ATOM 1124 N TYR A 71 -20.949 17.918 -0.770 1.00 0.00 N ATOM 1125 CA TYR A 71 -19.480 17.884 -0.704 1.00 0.00 C ATOM 1126 C TYR A 71 -18.889 17.203 -1.945 1.00 0.00 C ATOM 1127 O TYR A 71 -19.459 16.239 -2.464 1.00 0.00 O ATOM 1128 CB TYR A 71 -18.993 17.156 0.585 1.00 0.00 C ATOM 1129 CG TYR A 71 -19.246 17.943 1.885 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -20.501 17.952 2.490 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -18.236 18.694 2.493 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -20.739 18.668 3.639 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -18.472 19.415 3.643 1.00 0.00 C ATOM 1134 CZ TYR A 71 -19.726 19.398 4.212 1.00 0.00 C ATOM 1135 OH TYR A 71 -19.969 20.123 5.356 1.00 0.00 O ATOM 0 H TYR A 71 -21.362 17.033 -1.063 1.00 0.00 H new ATOM 0 HA TYR A 71 -19.130 18.916 -0.673 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.493 16.190 0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -17.925 16.957 0.495 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -21.305 17.384 2.046 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -17.250 18.709 2.052 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -21.720 18.657 4.090 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -17.678 19.990 4.096 1.00 0.00 H new ATOM 0 HH TYR A 71 -19.148 20.582 5.633 1.00 0.00 H new ATOM 1145 N THR A 72 -17.747 17.719 -2.420 1.00 0.00 N ATOM 1146 CA THR A 72 -16.954 17.094 -3.486 1.00 0.00 C ATOM 1147 C THR A 72 -15.626 16.629 -2.880 1.00 0.00 C ATOM 1148 O THR A 72 -14.855 17.451 -2.364 1.00 0.00 O ATOM 1149 CB THR A 72 -16.704 18.085 -4.678 1.00 0.00 C ATOM 1150 OG1 THR A 72 -17.966 18.509 -5.206 1.00 0.00 O ATOM 1151 CG2 THR A 72 -15.894 17.458 -5.828 1.00 0.00 C ATOM 0 H THR A 72 -17.345 18.589 -2.072 1.00 0.00 H new ATOM 0 HA THR A 72 -17.502 16.245 -3.895 1.00 0.00 H new ATOM 0 HB THR A 72 -16.126 18.918 -4.278 1.00 0.00 H new ATOM 0 HG1 THR A 72 -17.818 19.129 -5.950 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.756 18.194 -6.620 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.921 17.139 -5.456 1.00 0.00 H new ATOM 0 HG23 THR A 72 -16.431 16.596 -6.224 1.00 0.00 H new ATOM 1159 N ALA A 73 -15.390 15.303 -2.906 1.00 0.00 N ATOM 1160 CA ALA A 73 -14.164 14.692 -2.378 1.00 0.00 C ATOM 1161 C ALA A 73 -12.982 14.992 -3.314 1.00 0.00 C ATOM 1162 O ALA A 73 -13.150 15.046 -4.542 1.00 0.00 O ATOM 1163 CB ALA A 73 -14.354 13.174 -2.210 1.00 0.00 C ATOM 0 H ALA A 73 -16.048 14.628 -3.295 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.948 15.119 -1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.437 12.734 -1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -15.173 12.984 -1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.586 12.727 -3.177 1.00 0.00 H new ATOM 1169 N ASP A 74 -11.789 15.168 -2.715 1.00 0.00 N ATOM 1170 CA ASP A 74 -10.524 15.413 -3.444 1.00 0.00 C ATOM 1171 C ASP A 74 -10.156 14.183 -4.301 1.00 0.00 C ATOM 1172 O ASP A 74 -9.549 14.298 -5.371 1.00 0.00 O ATOM 1173 CB ASP A 74 -9.413 15.750 -2.421 1.00 0.00 C ATOM 1174 CG ASP A 74 -8.021 15.937 -3.042 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -7.881 16.724 -3.997 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -7.058 15.332 -2.547 1.00 0.00 O ATOM 0 H ASP A 74 -11.672 15.144 -1.702 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.640 16.258 -4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -9.687 16.662 -1.891 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.364 14.953 -1.679 1.00 0.00 H new ATOM 1181 N LYS A 75 -10.549 13.014 -3.797 1.00 0.00 N ATOM 1182 CA LYS A 75 -10.612 11.774 -4.559 1.00 0.00 C ATOM 1183 C LYS A 75 -11.771 10.932 -3.977 1.00 0.00 C ATOM 1184 O LYS A 75 -11.684 10.453 -2.838 1.00 0.00 O ATOM 1185 CB LYS A 75 -9.259 10.977 -4.593 1.00 0.00 C ATOM 1186 CG LYS A 75 -8.579 10.677 -3.229 1.00 0.00 C ATOM 1187 CD LYS A 75 -7.619 11.792 -2.749 1.00 0.00 C ATOM 1188 CE LYS A 75 -6.386 11.937 -3.664 1.00 0.00 C ATOM 1189 NZ LYS A 75 -5.480 13.033 -3.214 1.00 0.00 N ATOM 0 H LYS A 75 -10.838 12.903 -2.825 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.797 12.014 -5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.439 10.028 -5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.553 11.536 -5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.351 10.526 -2.475 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.024 9.742 -3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.156 12.740 -2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.291 11.573 -1.733 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.836 10.996 -3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.714 12.134 -4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.824 13.278 -3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.045 13.869 -2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.939 12.717 -2.384 1.00 0.00 H new ATOM 1203 N PRO A 76 -12.912 10.777 -4.737 1.00 0.00 N ATOM 1204 CA PRO A 76 -14.032 9.888 -4.331 1.00 0.00 C ATOM 1205 C PRO A 76 -13.687 8.396 -4.548 1.00 0.00 C ATOM 1206 O PRO A 76 -14.458 7.498 -4.178 1.00 0.00 O ATOM 1207 CB PRO A 76 -15.185 10.355 -5.247 1.00 0.00 C ATOM 1208 CG PRO A 76 -14.500 10.809 -6.490 1.00 0.00 C ATOM 1209 CD PRO A 76 -13.205 11.452 -6.032 1.00 0.00 C ATOM 0 HA PRO A 76 -14.275 9.956 -3.270 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.885 9.545 -5.451 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.756 11.162 -4.789 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.306 9.971 -7.159 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.117 11.519 -7.040 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.404 11.297 -6.754 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.316 12.529 -5.906 1.00 0.00 H new ATOM 1217 N MET A 77 -12.522 8.168 -5.162 1.00 0.00 N ATOM 1218 CA MET A 77 -11.901 6.865 -5.301 1.00 0.00 C ATOM 1219 C MET A 77 -10.397 7.046 -5.088 1.00 0.00 C ATOM 1220 O MET A 77 -9.769 7.875 -5.758 1.00 0.00 O ATOM 1221 CB MET A 77 -12.190 6.262 -6.694 1.00 0.00 C ATOM 1222 CG MET A 77 -11.576 4.880 -6.914 1.00 0.00 C ATOM 1223 SD MET A 77 -12.011 4.199 -8.518 1.00 0.00 S ATOM 1224 CE MET A 77 -11.349 2.548 -8.392 1.00 0.00 C ATOM 0 H MET A 77 -11.974 8.916 -5.587 1.00 0.00 H new ATOM 0 HA MET A 77 -12.308 6.172 -4.564 1.00 0.00 H new ATOM 0 HB2 MET A 77 -13.269 6.195 -6.832 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.812 6.942 -7.458 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.491 4.948 -6.831 1.00 0.00 H new ATOM 0 HG3 MET A 77 -11.914 4.204 -6.129 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.269 2.111 -9.387 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.362 2.586 -7.932 1.00 0.00 H new ATOM 0 HE3 MET A 77 -12.011 1.936 -7.780 1.00 0.00 H new ATOM 1234 N VAL A 78 -9.842 6.298 -4.137 1.00 0.00 N ATOM 1235 CA VAL A 78 -8.422 6.356 -3.782 1.00 0.00 C ATOM 1236 C VAL A 78 -7.700 5.146 -4.404 1.00 0.00 C ATOM 1237 O VAL A 78 -8.334 4.116 -4.687 1.00 0.00 O ATOM 1238 CB VAL A 78 -8.218 6.393 -2.215 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -6.828 6.952 -1.855 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -9.325 7.204 -1.509 1.00 0.00 C ATOM 0 H VAL A 78 -10.371 5.625 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.995 7.277 -4.179 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.284 5.365 -1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.712 6.968 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.057 6.319 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.731 7.965 -2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.147 7.204 -0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.316 8.230 -1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.295 6.752 -1.716 1.00 0.00 H new ATOM 1250 N GLY A 79 -6.386 5.276 -4.627 1.00 0.00 N ATOM 1251 CA GLY A 79 -5.605 4.235 -5.281 1.00 0.00 C ATOM 1252 C GLY A 79 -5.714 4.335 -6.797 1.00 0.00 C ATOM 1253 O GLY A 79 -6.590 3.702 -7.401 1.00 0.00 O ATOM 0 H GLY A 79 -5.845 6.099 -4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.560 4.319 -4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.953 3.255 -4.953 1.00 0.00 H new ATOM 1257 N PRO A 80 -4.867 5.165 -7.458 1.00 0.00 N ATOM 1258 CA PRO A 80 -4.814 5.253 -8.914 1.00 0.00 C ATOM 1259 C PRO A 80 -3.581 4.552 -9.531 1.00 0.00 C ATOM 1260 O PRO A 80 -3.199 4.898 -10.658 1.00 0.00 O ATOM 1261 CB PRO A 80 -4.738 6.785 -9.076 1.00 0.00 C ATOM 1262 CG PRO A 80 -3.890 7.260 -7.914 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.933 6.156 -6.861 1.00 0.00 C ATOM 0 HA PRO A 80 -5.645 4.761 -9.420 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.289 7.059 -10.031 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.731 7.234 -9.050 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.866 7.450 -8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.276 8.196 -7.510 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.947 5.727 -6.685 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.295 6.526 -5.902 1.00 0.00 H new ATOM 1271 N ASP A 81 -2.975 3.548 -8.838 1.00 0.00 N ATOM 1272 CA ASP A 81 -1.626 3.070 -9.233 1.00 0.00 C ATOM 1273 C ASP A 81 -1.304 1.624 -8.781 1.00 0.00 C ATOM 1274 O ASP A 81 -1.531 1.250 -7.626 1.00 0.00 O ATOM 1275 CB ASP A 81 -0.555 4.044 -8.681 1.00 0.00 C ATOM 1276 CG ASP A 81 0.882 3.679 -9.101 1.00 0.00 C ATOM 1277 OD1 ASP A 81 1.195 3.776 -10.303 1.00 0.00 O ATOM 1278 OD2 ASP A 81 1.699 3.293 -8.237 1.00 0.00 O ATOM 0 H ASP A 81 -3.383 3.071 -8.034 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.615 3.050 -10.323 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.781 5.053 -9.026 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.615 4.058 -7.593 1.00 0.00 H new ATOM 1283 N GLU A 82 -0.783 0.832 -9.745 1.00 0.00 N ATOM 1284 CA GLU A 82 -0.135 -0.476 -9.493 1.00 0.00 C ATOM 1285 C GLU A 82 1.240 -0.294 -8.825 1.00 0.00 C ATOM 1286 O GLU A 82 2.098 0.429 -9.338 1.00 0.00 O ATOM 1287 CB GLU A 82 0.065 -1.272 -10.815 1.00 0.00 C ATOM 1288 CG GLU A 82 -1.230 -1.672 -11.534 1.00 0.00 C ATOM 1289 CD GLU A 82 -1.002 -2.458 -12.838 1.00 0.00 C ATOM 1290 OE1 GLU A 82 -0.778 -3.685 -12.779 1.00 0.00 O ATOM 1291 OE2 GLU A 82 -1.025 -1.847 -13.930 1.00 0.00 O ATOM 0 H GLU A 82 -0.801 1.086 -10.733 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.797 -1.031 -8.829 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.670 -0.672 -11.495 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.634 -2.175 -10.595 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.837 -2.275 -10.859 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.802 -0.772 -11.759 1.00 0.00 H new ATOM 1298 N VAL A 83 1.437 -0.981 -7.692 1.00 0.00 N ATOM 1299 CA VAL A 83 2.725 -1.035 -6.981 1.00 0.00 C ATOM 1300 C VAL A 83 3.516 -2.290 -7.382 1.00 0.00 C ATOM 1301 O VAL A 83 2.991 -3.395 -7.324 1.00 0.00 O ATOM 1302 CB VAL A 83 2.501 -1.005 -5.418 1.00 0.00 C ATOM 1303 CG1 VAL A 83 3.720 -1.543 -4.637 1.00 0.00 C ATOM 1304 CG2 VAL A 83 2.167 0.427 -4.962 1.00 0.00 C ATOM 0 H VAL A 83 0.701 -1.521 -7.237 1.00 0.00 H new ATOM 0 HA VAL A 83 3.304 -0.156 -7.265 1.00 0.00 H new ATOM 0 HB VAL A 83 1.663 -1.666 -5.197 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.514 -1.501 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.912 -2.575 -4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.595 -0.933 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.014 0.439 -3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.991 1.092 -5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.259 0.765 -5.461 1.00 0.00 H new ATOM 1314 N THR A 84 4.775 -2.090 -7.781 1.00 0.00 N ATOM 1315 CA THR A 84 5.753 -3.156 -8.005 1.00 0.00 C ATOM 1316 C THR A 84 6.821 -3.078 -6.895 1.00 0.00 C ATOM 1317 O THR A 84 7.572 -2.095 -6.820 1.00 0.00 O ATOM 1318 CB THR A 84 6.421 -2.991 -9.416 1.00 0.00 C ATOM 1319 OG1 THR A 84 5.405 -2.931 -10.435 1.00 0.00 O ATOM 1320 CG2 THR A 84 7.394 -4.133 -9.738 1.00 0.00 C ATOM 0 H THR A 84 5.151 -1.159 -7.961 1.00 0.00 H new ATOM 0 HA THR A 84 5.259 -4.127 -7.976 1.00 0.00 H new ATOM 0 HB THR A 84 6.992 -2.063 -9.395 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.828 -2.826 -11.313 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.830 -3.973 -10.724 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.187 -4.157 -8.991 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.857 -5.082 -9.728 1.00 0.00 H new ATOM 1328 N VAL A 85 6.850 -4.077 -5.997 1.00 0.00 N ATOM 1329 CA VAL A 85 7.909 -4.191 -4.984 1.00 0.00 C ATOM 1330 C VAL A 85 8.981 -5.148 -5.519 1.00 0.00 C ATOM 1331 O VAL A 85 8.753 -6.357 -5.603 1.00 0.00 O ATOM 1332 CB VAL A 85 7.358 -4.729 -3.605 1.00 0.00 C ATOM 1333 CG1 VAL A 85 8.486 -4.832 -2.552 1.00 0.00 C ATOM 1334 CG2 VAL A 85 6.205 -3.852 -3.090 1.00 0.00 C ATOM 0 H VAL A 85 6.150 -4.818 -5.953 1.00 0.00 H new ATOM 0 HA VAL A 85 8.323 -3.200 -4.800 1.00 0.00 H new ATOM 0 HB VAL A 85 6.968 -5.733 -3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.075 -5.205 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.255 -5.517 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.924 -3.847 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.845 -4.246 -2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.559 -2.831 -2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.392 -3.857 -3.816 1.00 0.00 H new ATOM 1344 N ASP A 86 10.134 -4.584 -5.880 1.00 0.00 N ATOM 1345 CA ASP A 86 11.323 -5.340 -6.305 1.00 0.00 C ATOM 1346 C ASP A 86 12.165 -5.702 -5.080 1.00 0.00 C ATOM 1347 O ASP A 86 11.922 -5.196 -3.983 1.00 0.00 O ATOM 1348 CB ASP A 86 12.185 -4.494 -7.282 1.00 0.00 C ATOM 1349 CG ASP A 86 11.473 -4.146 -8.596 1.00 0.00 C ATOM 1350 OD1 ASP A 86 10.615 -3.234 -8.601 1.00 0.00 O ATOM 1351 OD2 ASP A 86 11.781 -4.764 -9.633 1.00 0.00 O ATOM 0 H ASP A 86 10.275 -3.574 -5.887 1.00 0.00 H new ATOM 0 HA ASP A 86 10.995 -6.247 -6.813 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.480 -3.570 -6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.101 -5.040 -7.510 1.00 0.00 H new ATOM 1356 N SER A 87 13.170 -6.561 -5.296 1.00 0.00 N ATOM 1357 CA SER A 87 14.214 -6.876 -4.302 1.00 0.00 C ATOM 1358 C SER A 87 15.026 -5.616 -3.910 1.00 0.00 C ATOM 1359 O SER A 87 15.482 -5.485 -2.766 1.00 0.00 O ATOM 1360 CB SER A 87 15.121 -7.999 -4.869 1.00 0.00 C ATOM 1361 OG SER A 87 15.559 -7.694 -6.189 1.00 0.00 O ATOM 0 H SER A 87 13.286 -7.065 -6.175 1.00 0.00 H new ATOM 0 HA SER A 87 13.745 -7.229 -3.384 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.985 -8.134 -4.219 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.575 -8.942 -4.874 1.00 0.00 H new ATOM 0 HG SER A 87 15.974 -8.487 -6.587 1.00 0.00 H new ATOM 1367 N LYS A 88 15.141 -4.682 -4.868 1.00 0.00 N ATOM 1368 CA LYS A 88 15.871 -3.412 -4.699 1.00 0.00 C ATOM 1369 C LYS A 88 15.164 -2.484 -3.684 1.00 0.00 C ATOM 1370 O LYS A 88 15.710 -2.194 -2.614 1.00 0.00 O ATOM 1371 CB LYS A 88 15.994 -2.693 -6.066 1.00 0.00 C ATOM 1372 CG LYS A 88 16.712 -3.512 -7.157 1.00 0.00 C ATOM 1373 CD LYS A 88 16.640 -2.833 -8.547 1.00 0.00 C ATOM 1374 CE LYS A 88 15.199 -2.679 -9.067 1.00 0.00 C ATOM 1375 NZ LYS A 88 15.145 -1.839 -10.297 1.00 0.00 N ATOM 0 H LYS A 88 14.725 -4.788 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 88 16.863 -3.643 -4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.995 -2.438 -6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.530 -1.755 -5.922 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.756 -3.650 -6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.265 -4.504 -7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 88 17.107 -1.850 -8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 88 17.218 -3.419 -9.262 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.781 -3.663 -9.280 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.578 -2.230 -8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 14.159 -1.757 -10.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.521 -0.892 -10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.717 -2.281 -11.045 1.00 0.00 H new ATOM 1389 N ASN A 89 13.927 -2.053 -4.020 1.00 0.00 N ATOM 1390 CA ASN A 89 13.156 -1.066 -3.210 1.00 0.00 C ATOM 1391 C ASN A 89 12.266 -1.766 -2.160 1.00 0.00 C ATOM 1392 O ASN A 89 11.364 -1.140 -1.584 1.00 0.00 O ATOM 1393 CB ASN A 89 12.295 -0.151 -4.133 1.00 0.00 C ATOM 1394 CG ASN A 89 11.125 -0.874 -4.818 1.00 0.00 C ATOM 1395 OD1 ASN A 89 11.209 -2.052 -5.136 1.00 0.00 O ATOM 1396 ND2 ASN A 89 10.036 -0.165 -5.059 1.00 0.00 N ATOM 0 H ASN A 89 13.433 -2.373 -4.853 1.00 0.00 H new ATOM 0 HA ASN A 89 13.875 -0.445 -2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.901 0.676 -3.542 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.938 0.283 -4.899 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.237 -0.599 -5.522 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.994 0.816 -4.782 1.00 0.00 H new ATOM 1403 N PHE A 90 12.557 -3.054 -1.908 1.00 0.00 N ATOM 1404 CA PHE A 90 11.850 -3.897 -0.927 1.00 0.00 C ATOM 1405 C PHE A 90 11.854 -3.282 0.480 1.00 0.00 C ATOM 1406 O PHE A 90 10.869 -3.378 1.207 1.00 0.00 O ATOM 1407 CB PHE A 90 12.510 -5.302 -0.910 1.00 0.00 C ATOM 1408 CG PHE A 90 11.973 -6.273 0.142 1.00 0.00 C ATOM 1409 CD1 PHE A 90 10.621 -6.614 0.194 1.00 0.00 C ATOM 1410 CD2 PHE A 90 12.830 -6.843 1.077 1.00 0.00 C ATOM 1411 CE1 PHE A 90 10.155 -7.490 1.157 1.00 0.00 C ATOM 1412 CE2 PHE A 90 12.365 -7.716 2.034 1.00 0.00 C ATOM 1413 CZ PHE A 90 11.026 -8.040 2.069 1.00 0.00 C ATOM 0 H PHE A 90 13.307 -3.549 -2.391 1.00 0.00 H new ATOM 0 HA PHE A 90 10.805 -3.975 -1.228 1.00 0.00 H new ATOM 0 HB2 PHE A 90 12.384 -5.754 -1.894 1.00 0.00 H new ATOM 0 HB3 PHE A 90 13.581 -5.178 -0.751 1.00 0.00 H new ATOM 0 HD1 PHE A 90 9.933 -6.191 -0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 90 13.881 -6.596 1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.106 -7.743 1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 90 13.046 -8.145 2.754 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.659 -8.729 2.816 1.00 0.00 H new ATOM 1423 N LEU A 91 12.959 -2.625 0.836 1.00 0.00 N ATOM 1424 CA LEU A 91 13.162 -2.070 2.183 1.00 0.00 C ATOM 1425 C LEU A 91 12.334 -0.787 2.392 1.00 0.00 C ATOM 1426 O LEU A 91 12.175 -0.324 3.523 1.00 0.00 O ATOM 1427 CB LEU A 91 14.670 -1.800 2.439 1.00 0.00 C ATOM 1428 CG LEU A 91 15.622 -3.051 2.455 1.00 0.00 C ATOM 1429 CD1 LEU A 91 15.107 -4.132 3.430 1.00 0.00 C ATOM 1430 CD2 LEU A 91 15.857 -3.637 1.038 1.00 0.00 C ATOM 0 H LEU A 91 13.741 -2.461 0.202 1.00 0.00 H new ATOM 0 HA LEU A 91 12.815 -2.809 2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.027 -1.112 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.766 -1.288 3.397 1.00 0.00 H new ATOM 0 HG LEU A 91 16.591 -2.704 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 91 15.786 -4.985 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.058 -3.720 4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 91 14.113 -4.456 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 91 16.521 -4.499 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.904 -3.947 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 91 16.311 -2.878 0.401 1.00 0.00 H new ATOM 1442 N ASP A 92 11.810 -0.230 1.288 1.00 0.00 N ATOM 1443 CA ASP A 92 10.989 0.995 1.296 1.00 0.00 C ATOM 1444 C ASP A 92 9.495 0.632 1.180 1.00 0.00 C ATOM 1445 O ASP A 92 9.128 -0.335 0.499 1.00 0.00 O ATOM 1446 CB ASP A 92 11.418 1.919 0.120 1.00 0.00 C ATOM 1447 CG ASP A 92 10.696 3.283 0.067 1.00 0.00 C ATOM 1448 OD1 ASP A 92 10.830 4.071 1.019 1.00 0.00 O ATOM 1449 OD2 ASP A 92 10.033 3.591 -0.942 1.00 0.00 O ATOM 0 H ASP A 92 11.945 -0.620 0.355 1.00 0.00 H new ATOM 0 HA ASP A 92 11.142 1.526 2.236 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.491 2.095 0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.241 1.394 -0.819 1.00 0.00 H new ATOM 1454 N LYS A 93 8.645 1.422 1.860 1.00 0.00 N ATOM 1455 CA LYS A 93 7.178 1.320 1.739 1.00 0.00 C ATOM 1456 C LYS A 93 6.748 2.067 0.466 1.00 0.00 C ATOM 1457 O LYS A 93 7.349 3.076 0.106 1.00 0.00 O ATOM 1458 CB LYS A 93 6.486 1.910 2.997 1.00 0.00 C ATOM 1459 CG LYS A 93 6.676 3.429 3.166 1.00 0.00 C ATOM 1460 CD LYS A 93 6.148 3.964 4.506 1.00 0.00 C ATOM 1461 CE LYS A 93 6.392 5.471 4.666 1.00 0.00 C ATOM 1462 NZ LYS A 93 5.923 5.963 5.985 1.00 0.00 N ATOM 0 H LYS A 93 8.954 2.147 2.507 1.00 0.00 H new ATOM 0 HA LYS A 93 6.878 0.275 1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.419 1.692 2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.874 1.406 3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.736 3.667 3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.167 3.944 2.351 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.080 3.761 4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.632 3.431 5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.456 5.682 4.556 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.876 6.010 3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.103 6.985 6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.903 5.784 6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.433 5.466 6.743 1.00 0.00 H new ATOM 1476 N GLN A 94 5.716 1.580 -0.218 1.00 0.00 N ATOM 1477 CA GLN A 94 5.356 2.089 -1.562 1.00 0.00 C ATOM 1478 C GLN A 94 4.122 3.007 -1.519 1.00 0.00 C ATOM 1479 O GLN A 94 3.695 3.505 -2.557 1.00 0.00 O ATOM 1480 CB GLN A 94 5.131 0.888 -2.503 1.00 0.00 C ATOM 1481 CG GLN A 94 6.253 -0.175 -2.451 1.00 0.00 C ATOM 1482 CD GLN A 94 7.600 0.309 -2.969 1.00 0.00 C ATOM 1483 OE1 GLN A 94 7.668 1.137 -3.871 1.00 0.00 O ATOM 1484 NE2 GLN A 94 8.682 -0.204 -2.401 1.00 0.00 N ATOM 0 H GLN A 94 5.109 0.836 0.125 1.00 0.00 H new ATOM 0 HA GLN A 94 6.176 2.700 -1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.184 0.413 -2.248 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.039 1.254 -3.526 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.372 -0.510 -1.421 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.943 -1.042 -3.034 1.00 0.00 H new ATOM 0 HE21 GLN A 94 8.588 -0.891 -1.653 1.00 0.00 H new ATOM 0 HE22 GLN A 94 9.608 0.088 -2.712 1.00 0.00 H new ATOM 1493 N ASN A 95 3.555 3.219 -0.311 1.00 0.00 N ATOM 1494 CA ASN A 95 2.405 4.139 -0.085 1.00 0.00 C ATOM 1495 C ASN A 95 2.471 4.733 1.330 1.00 0.00 C ATOM 1496 O ASN A 95 3.452 4.524 2.053 1.00 0.00 O ATOM 1497 CB ASN A 95 1.032 3.426 -0.320 1.00 0.00 C ATOM 1498 CG ASN A 95 0.590 3.408 -1.787 1.00 0.00 C ATOM 1499 OD1 ASN A 95 -0.079 4.328 -2.254 1.00 0.00 O ATOM 1500 ND2 ASN A 95 0.969 2.383 -2.526 1.00 0.00 N ATOM 0 H ASN A 95 3.878 2.759 0.540 1.00 0.00 H new ATOM 0 HA ASN A 95 2.479 4.946 -0.814 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.099 2.400 0.043 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.267 3.925 0.275 1.00 0.00 H new ATOM 0 HD21 ASN A 95 0.707 2.340 -3.511 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.524 1.634 -2.112 1.00 0.00 H new ATOM 1507 N ARG A 96 1.404 5.470 1.711 1.00 0.00 N ATOM 1508 CA ARG A 96 1.348 6.237 2.968 1.00 0.00 C ATOM 1509 C ARG A 96 -0.110 6.504 3.363 1.00 0.00 C ATOM 1510 O ARG A 96 -1.022 5.854 2.852 1.00 0.00 O ATOM 1511 CB ARG A 96 2.106 7.566 2.777 1.00 0.00 C ATOM 1512 CG ARG A 96 1.529 8.461 1.663 1.00 0.00 C ATOM 1513 CD ARG A 96 2.306 9.762 1.455 1.00 0.00 C ATOM 1514 NE ARG A 96 1.655 10.600 0.435 1.00 0.00 N ATOM 1515 CZ ARG A 96 2.264 11.224 -0.578 1.00 0.00 C ATOM 1516 NH1 ARG A 96 3.579 11.132 -0.753 1.00 0.00 N ATOM 1517 NH2 ARG A 96 1.544 11.955 -1.407 1.00 0.00 N ATOM 0 H ARG A 96 0.556 5.548 1.150 1.00 0.00 H new ATOM 0 HA ARG A 96 1.816 5.664 3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.093 8.118 3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 96 3.150 7.348 2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.519 7.901 0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.493 8.701 1.902 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.368 10.309 2.396 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.328 9.536 1.149 1.00 0.00 H new ATOM 0 HE ARG A 96 0.644 10.715 0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.142 10.578 -0.108 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.025 11.616 -1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.537 12.038 -1.270 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.995 12.437 -2.185 1.00 0.00 H new ATOM 1531 N GLU A 97 -0.333 7.501 4.239 1.00 0.00 N ATOM 1532 CA GLU A 97 -1.680 7.865 4.669 1.00 0.00 C ATOM 1533 C GLU A 97 -2.257 8.855 3.649 1.00 0.00 C ATOM 1534 O GLU A 97 -1.836 10.011 3.585 1.00 0.00 O ATOM 1535 CB GLU A 97 -1.684 8.503 6.090 1.00 0.00 C ATOM 1536 CG GLU A 97 -1.108 7.622 7.222 1.00 0.00 C ATOM 1537 CD GLU A 97 0.426 7.481 7.185 1.00 0.00 C ATOM 1538 OE1 GLU A 97 1.126 8.486 7.421 1.00 0.00 O ATOM 1539 OE2 GLU A 97 0.939 6.377 6.923 1.00 0.00 O ATOM 0 H GLU A 97 0.407 8.064 4.658 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.289 6.963 4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.115 9.432 6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.710 8.767 6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.401 8.045 8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.556 6.630 7.161 1.00 0.00 H new ATOM 1546 N GLU A 98 -3.202 8.362 2.829 1.00 0.00 N ATOM 1547 CA GLU A 98 -3.868 9.162 1.785 1.00 0.00 C ATOM 1548 C GLU A 98 -5.181 9.707 2.327 1.00 0.00 C ATOM 1549 O GLU A 98 -6.125 8.963 2.566 1.00 0.00 O ATOM 1550 CB GLU A 98 -4.121 8.295 0.521 1.00 0.00 C ATOM 1551 CG GLU A 98 -2.841 7.937 -0.244 1.00 0.00 C ATOM 1552 CD GLU A 98 -2.125 9.164 -0.841 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -2.564 9.663 -1.899 1.00 0.00 O ATOM 1554 OE2 GLU A 98 -1.133 9.644 -0.252 1.00 0.00 O ATOM 0 H GLU A 98 -3.526 7.396 2.871 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.224 9.995 1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.627 7.376 0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.796 8.830 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.158 7.417 0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.088 7.243 -1.047 1.00 0.00 H new ATOM 1561 N THR A 99 -5.231 11.016 2.506 1.00 0.00 N ATOM 1562 CA THR A 99 -6.365 11.684 3.125 1.00 0.00 C ATOM 1563 C THR A 99 -7.199 12.399 2.052 1.00 0.00 C ATOM 1564 O THR A 99 -6.702 13.314 1.376 1.00 0.00 O ATOM 1565 CB THR A 99 -5.861 12.689 4.200 1.00 0.00 C ATOM 1566 OG1 THR A 99 -5.081 11.972 5.173 1.00 0.00 O ATOM 1567 CG2 THR A 99 -7.009 13.421 4.910 1.00 0.00 C ATOM 0 H THR A 99 -4.482 11.649 2.225 1.00 0.00 H new ATOM 0 HA THR A 99 -6.999 10.946 3.615 1.00 0.00 H new ATOM 0 HB THR A 99 -5.262 13.445 3.693 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.756 12.596 5.856 1.00 0.00 H new ATOM 0 HG21 THR A 99 -6.600 14.109 5.649 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.592 13.980 4.178 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.651 12.694 5.407 1.00 0.00 H new ATOM 1575 N VAL A 100 -8.466 11.968 1.888 1.00 0.00 N ATOM 1576 CA VAL A 100 -9.408 12.636 0.973 1.00 0.00 C ATOM 1577 C VAL A 100 -10.008 13.841 1.716 1.00 0.00 C ATOM 1578 O VAL A 100 -10.248 13.772 2.933 1.00 0.00 O ATOM 1579 CB VAL A 100 -10.550 11.678 0.429 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -10.019 10.249 0.201 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -11.814 11.646 1.320 1.00 0.00 C ATOM 0 H VAL A 100 -8.858 11.163 2.376 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.860 12.954 0.086 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.856 12.104 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.825 9.617 -0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.210 10.274 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.646 9.845 1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -12.550 10.970 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.547 11.297 2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.237 12.648 1.387 1.00 0.00 H new ATOM 1591 N ILE A 101 -10.199 14.951 1.003 1.00 0.00 N ATOM 1592 CA ILE A 101 -10.783 16.172 1.577 1.00 0.00 C ATOM 1593 C ILE A 101 -12.142 16.463 0.932 1.00 0.00 C ATOM 1594 O ILE A 101 -12.228 16.707 -0.277 1.00 0.00 O ATOM 1595 CB ILE A 101 -9.801 17.396 1.427 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -8.474 17.141 2.227 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -10.466 18.719 1.865 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -8.651 16.928 3.734 1.00 0.00 C ATOM 0 H ILE A 101 -9.956 15.033 0.016 1.00 0.00 H new ATOM 0 HA ILE A 101 -10.940 16.012 2.644 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.553 17.494 0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -7.979 16.265 1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.807 17.989 2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.758 19.539 1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -11.344 18.907 1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -10.766 18.647 2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.677 16.760 4.195 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.113 17.811 4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.288 16.061 3.907 1.00 0.00 H new ATOM 1610 N TYR A 102 -13.200 16.420 1.756 1.00 0.00 N ATOM 1611 CA TYR A 102 -14.542 16.790 1.349 1.00 0.00 C ATOM 1612 C TYR A 102 -14.677 18.308 1.468 1.00 0.00 C ATOM 1613 O TYR A 102 -14.866 18.840 2.565 1.00 0.00 O ATOM 1614 CB TYR A 102 -15.607 16.086 2.233 1.00 0.00 C ATOM 1615 CG TYR A 102 -15.486 14.562 2.289 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -15.816 13.772 1.189 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -15.042 13.910 3.443 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -15.704 12.398 1.243 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -14.929 12.542 3.496 1.00 0.00 C ATOM 1620 CZ TYR A 102 -15.261 11.791 2.394 1.00 0.00 C ATOM 1621 OH TYR A 102 -15.146 10.432 2.446 1.00 0.00 O ATOM 0 H TYR A 102 -13.136 16.123 2.730 1.00 0.00 H new ATOM 0 HA TYR A 102 -14.710 16.474 0.319 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -15.536 16.480 3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -16.598 16.345 1.860 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -16.164 14.242 0.281 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -14.782 14.495 4.313 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -15.964 11.800 0.382 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -14.582 12.060 4.398 1.00 0.00 H new ATOM 0 HH TYR A 102 -15.034 10.078 1.539 1.00 0.00 H new ATOM 1631 N SER A 103 -14.554 18.993 0.341 1.00 0.00 N ATOM 1632 CA SER A 103 -14.838 20.427 0.248 1.00 0.00 C ATOM 1633 C SER A 103 -16.321 20.568 -0.107 1.00 0.00 C ATOM 1634 O SER A 103 -16.976 19.558 -0.348 1.00 0.00 O ATOM 1635 CB SER A 103 -13.937 21.059 -0.828 1.00 0.00 C ATOM 1636 OG SER A 103 -14.068 20.387 -2.070 1.00 0.00 O ATOM 0 H SER A 103 -14.254 18.574 -0.539 1.00 0.00 H new ATOM 0 HA SER A 103 -14.633 20.942 1.186 1.00 0.00 H new ATOM 0 HB2 SER A 103 -14.197 22.110 -0.952 1.00 0.00 H new ATOM 0 HB3 SER A 103 -12.898 21.024 -0.501 1.00 0.00 H new ATOM 0 HG SER A 103 -13.486 20.811 -2.734 1.00 0.00 H new ATOM 1642 N ALA A 104 -16.855 21.798 -0.144 1.00 0.00 N ATOM 1643 CA ALA A 104 -18.235 22.045 -0.630 1.00 0.00 C ATOM 1644 C ALA A 104 -18.382 21.537 -2.073 1.00 0.00 C ATOM 1645 O ALA A 104 -17.383 21.418 -2.791 1.00 0.00 O ATOM 1646 CB ALA A 104 -18.567 23.534 -0.517 1.00 0.00 C ATOM 0 H ALA A 104 -16.360 22.639 0.154 1.00 0.00 H new ATOM 0 HA ALA A 104 -18.946 21.497 -0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -19.581 23.709 -0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -18.491 23.846 0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -17.865 24.110 -1.120 1.00 0.00 H new ATOM 1652 N ASN A 105 -19.610 21.176 -2.479 1.00 0.00 N ATOM 1653 CA ASN A 105 -19.837 20.545 -3.797 1.00 0.00 C ATOM 1654 C ASN A 105 -19.498 21.511 -4.946 1.00 0.00 C ATOM 1655 O ASN A 105 -19.535 22.734 -4.786 1.00 0.00 O ATOM 1656 CB ASN A 105 -21.288 20.011 -3.951 1.00 0.00 C ATOM 1657 CG ASN A 105 -21.409 18.896 -4.999 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -21.659 19.150 -6.175 1.00 0.00 O ATOM 1659 ND2 ASN A 105 -21.197 17.664 -4.583 1.00 0.00 N ATOM 0 H ASN A 105 -20.455 21.307 -1.923 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.163 19.690 -3.852 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -21.635 19.636 -2.988 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -21.945 20.835 -4.228 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -21.238 16.888 -5.244 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -20.992 17.486 -3.600 1.00 0.00 H new