USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 750 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 23 HIS : no HD1:sc= -6.14! C(o=-12!,f=-20!) USER MOD Set 1.2: A 24 HIS : no HE2:sc= -6.18! C(o=-12!,f=-14!) USER MOD Single : A 6 MET CE :methyl -153:sc= -0.0608 (180deg=-0.493) USER MOD Single : A 7 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -90:sc= -0.976! USER MOD Single : A 14 CYS SG : rot -126:sc= -4.64! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 114:sc= -2.26! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -150:sc= -0.0838 (180deg=-1.57) USER MOD Single : A 31 GLN : amide:sc= -4.26! K(o=-4.3!,f=-2.2) USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= 0.0988 (180deg=0.0984) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -5.41! K(o=-5.4!,f=-2.3) USER MOD Single : A 36 SER OG : rot -160:sc= -0.792 USER MOD Single : A 39 LYS NZ :NH3+ 140:sc= -4.53! (180deg=-5.03!) USER MOD Single : A 44 HIS : no HD1:sc= -10.3! C(o=-10!,f=-13!) USER MOD Single : A 48 ASN : amide:sc= -3.1 K(o=-3.1,f=-6.6!) USER MOD Single : A 53 SER OG : rot -170:sc= -0.758! USER MOD Single : A 55 MET CE :methyl -163:sc= -21.8! (180deg=-24.6!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.464 USER MOD Single : A 58 SER OG : rot -160:sc= -0.0508 USER MOD Single : A 67 TYR OH : rot 110:sc= -3.54! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -2.65! C(o=-2.6!,f=-7.3!) USER MOD Single : A 77 MET CE :methyl 173:sc= -6.79! (180deg=-7.94!) USER MOD Single : A 80 CYS SG : rot -40:sc= -4.41! USER MOD Single : A 83 SER OG : rot 170:sc= -0.162 USER MOD Single : A 87 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.137) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -7.95! C(o=-7.9!,f=-11!) USER MOD Single : A 107 GLN : amide:sc= -0.51 K(o=-0.51,f=-0.0074) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.389 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 -8.780 -14.062 -0.176 1.00 0.00 N ATOM 12 CA LEU A 2 -7.719 -13.070 -0.126 1.00 0.00 C ATOM 13 C LEU A 2 -6.365 -13.773 -0.228 1.00 0.00 C ATOM 14 O LEU A 2 -6.149 -14.809 0.400 1.00 0.00 O ATOM 15 CB LEU A 2 -7.864 -12.192 1.119 1.00 0.00 C ATOM 16 CG LEU A 2 -6.696 -11.250 1.415 1.00 0.00 C ATOM 17 CD1 LEU A 2 -7.058 -9.803 1.073 1.00 0.00 C ATOM 18 CD2 LEU A 2 -6.227 -11.397 2.864 1.00 0.00 C ATOM 0 HA LEU A 2 -7.791 -12.392 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.769 -11.594 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.009 -12.841 1.982 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.859 -11.532 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.210 -9.154 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.305 -9.730 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.917 -9.492 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.396 -10.716 3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.049 -11.157 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.902 -12.423 3.039 1.00 0.00 H new ATOM 29 N GLY A 3 -5.486 -13.182 -1.025 1.00 0.00 N ATOM 30 CA GLY A 3 -4.158 -13.740 -1.218 1.00 0.00 C ATOM 31 C GLY A 3 -3.110 -12.937 -0.444 1.00 0.00 C ATOM 32 O GLY A 3 -3.417 -12.338 0.586 1.00 0.00 O ATOM 0 H GLY A 3 -5.668 -12.323 -1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.144 -14.778 -0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.910 -13.741 -2.279 1.00 0.00 H new ATOM 36 N ILE A 4 -1.893 -12.952 -0.969 1.00 0.00 N ATOM 37 CA ILE A 4 -0.798 -12.233 -0.341 1.00 0.00 C ATOM 38 C ILE A 4 0.514 -12.600 -1.038 1.00 0.00 C ATOM 39 O ILE A 4 0.720 -13.753 -1.413 1.00 0.00 O ATOM 40 CB ILE A 4 -0.784 -12.489 1.168 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.583 -11.186 1.943 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.261 -13.542 1.535 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.398 -10.262 1.218 1.00 0.00 C ATOM 0 H ILE A 4 -1.642 -13.451 -1.822 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.932 -11.158 -0.458 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.757 -12.887 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.541 -10.681 2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.209 -11.407 2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.250 -13.705 2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.030 -14.477 1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.249 -13.196 1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.523 -9.343 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.362 -10.761 1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.009 -10.023 0.228 1.00 0.00 H new ATOM 54 N ASP A 5 1.365 -11.597 -1.193 1.00 0.00 N ATOM 55 CA ASP A 5 2.651 -11.799 -1.838 1.00 0.00 C ATOM 56 C ASP A 5 3.640 -10.746 -1.337 1.00 0.00 C ATOM 57 O ASP A 5 3.264 -9.601 -1.091 1.00 0.00 O ATOM 58 CB ASP A 5 2.533 -11.652 -3.357 1.00 0.00 C ATOM 59 CG ASP A 5 3.260 -12.727 -4.168 1.00 0.00 C ATOM 60 OD1 ASP A 5 2.639 -13.675 -4.672 1.00 0.00 O ATOM 61 OD2 ASP A 5 4.534 -12.560 -4.276 1.00 0.00 O ATOM 0 H ASP A 5 1.189 -10.641 -0.883 1.00 0.00 H new ATOM 0 HA ASP A 5 2.995 -12.805 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.477 -11.666 -3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.923 -10.675 -3.644 1.00 0.00 H new ATOM 66 N MET A 6 4.889 -11.170 -1.198 1.00 0.00 N ATOM 67 CA MET A 6 5.935 -10.279 -0.730 1.00 0.00 C ATOM 68 C MET A 6 7.203 -10.430 -1.572 1.00 0.00 C ATOM 69 O MET A 6 7.541 -11.534 -1.998 1.00 0.00 O ATOM 70 CB MET A 6 6.254 -10.590 0.734 1.00 0.00 C ATOM 71 CG MET A 6 5.014 -10.417 1.613 1.00 0.00 C ATOM 72 SD MET A 6 5.114 -11.501 3.029 1.00 0.00 S ATOM 73 CE MET A 6 4.778 -13.068 2.243 1.00 0.00 C ATOM 0 H MET A 6 5.199 -12.120 -1.402 1.00 0.00 H new ATOM 0 HA MET A 6 5.580 -9.253 -0.824 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.626 -11.611 0.820 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.048 -9.931 1.085 1.00 0.00 H new ATOM 0 HG2 MET A 6 4.933 -9.381 1.942 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.116 -10.639 1.037 1.00 0.00 H new ATOM 0 HE1 MET A 6 4.336 -13.751 2.968 1.00 0.00 H new ATOM 0 HE2 MET A 6 4.085 -12.919 1.415 1.00 0.00 H new ATOM 0 HE3 MET A 6 5.708 -13.492 1.865 1.00 0.00 H new ATOM 81 N ASN A 7 7.870 -9.306 -1.789 1.00 0.00 N ATOM 82 CA ASN A 7 9.093 -9.300 -2.573 1.00 0.00 C ATOM 83 C ASN A 7 10.038 -8.228 -2.028 1.00 0.00 C ATOM 84 O ASN A 7 9.644 -7.414 -1.194 1.00 0.00 O ATOM 85 CB ASN A 7 8.805 -8.976 -4.041 1.00 0.00 C ATOM 86 CG ASN A 7 9.200 -10.142 -4.947 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.393 -10.985 -5.306 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.483 -10.145 -5.298 1.00 0.00 N ATOM 0 H ASN A 7 7.586 -8.392 -1.435 1.00 0.00 H new ATOM 0 HA ASN A 7 9.542 -10.291 -2.504 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.745 -8.756 -4.167 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.354 -8.081 -4.334 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.845 -10.883 -5.903 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.105 -9.410 -4.963 1.00 0.00 H new ATOM 94 N VAL A 8 11.267 -8.261 -2.522 1.00 0.00 N ATOM 95 CA VAL A 8 12.272 -7.302 -2.095 1.00 0.00 C ATOM 96 C VAL A 8 13.048 -6.804 -3.316 1.00 0.00 C ATOM 97 O VAL A 8 13.315 -7.570 -4.240 1.00 0.00 O ATOM 98 CB VAL A 8 13.172 -7.928 -1.028 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.630 -7.959 -1.492 1.00 0.00 C ATOM 100 CG2 VAL A 8 13.037 -7.191 0.305 1.00 0.00 C ATOM 0 H VAL A 8 11.590 -8.937 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 8 11.800 -6.434 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 8 12.846 -8.957 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.249 -8.409 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.709 -8.548 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.972 -6.942 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.687 -7.656 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.324 -6.148 0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.003 -7.243 0.646 1.00 0.00 H new ATOM 110 N LYS A 9 13.387 -5.524 -3.280 1.00 0.00 N ATOM 111 CA LYS A 9 14.127 -4.915 -4.372 1.00 0.00 C ATOM 112 C LYS A 9 15.004 -3.790 -3.823 1.00 0.00 C ATOM 113 O LYS A 9 14.510 -2.709 -3.508 1.00 0.00 O ATOM 114 CB LYS A 9 13.173 -4.466 -5.481 1.00 0.00 C ATOM 115 CG LYS A 9 11.792 -5.101 -5.307 1.00 0.00 C ATOM 116 CD LYS A 9 11.737 -6.485 -5.957 1.00 0.00 C ATOM 117 CE LYS A 9 10.876 -6.462 -7.221 1.00 0.00 C ATOM 118 NZ LYS A 9 11.363 -7.463 -8.198 1.00 0.00 N ATOM 0 H LYS A 9 13.163 -4.892 -2.512 1.00 0.00 H new ATOM 0 HA LYS A 9 14.794 -5.643 -4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.082 -3.380 -5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.584 -4.741 -6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.558 -5.185 -4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.033 -4.457 -5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.746 -6.814 -6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.331 -7.208 -5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.837 -6.671 -6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.901 -5.468 -7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.768 -7.434 -9.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.347 -7.246 -8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.317 -8.412 -7.775 1.00 0.00 H new ATOM 127 N GLU A 10 16.293 -4.081 -3.725 1.00 0.00 N ATOM 128 CA GLU A 10 17.245 -3.107 -3.219 1.00 0.00 C ATOM 129 C GLU A 10 16.924 -2.758 -1.764 1.00 0.00 C ATOM 130 O GLU A 10 17.821 -2.427 -0.989 1.00 0.00 O ATOM 131 CB GLU A 10 17.261 -1.852 -4.093 1.00 0.00 C ATOM 132 CG GLU A 10 17.931 -0.684 -3.364 1.00 0.00 C ATOM 133 CD GLU A 10 18.809 0.127 -4.320 1.00 0.00 C ATOM 134 OE1 GLU A 10 19.944 0.482 -3.969 1.00 0.00 O ATOM 135 OE2 GLU A 10 18.274 0.386 -5.465 1.00 0.00 O ATOM 0 H GLU A 10 16.701 -4.978 -3.988 1.00 0.00 H new ATOM 0 HA GLU A 10 18.241 -3.548 -3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.792 -2.058 -5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.241 -1.580 -4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.169 -0.038 -2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.537 -1.063 -2.541 1.00 0.00 H new ATOM 141 N SER A 11 15.644 -2.844 -1.437 1.00 0.00 N ATOM 142 CA SER A 11 15.194 -2.542 -0.088 1.00 0.00 C ATOM 143 C SER A 11 13.677 -2.341 -0.074 1.00 0.00 C ATOM 144 O SER A 11 13.085 -2.131 0.982 1.00 0.00 O ATOM 145 CB SER A 11 15.899 -1.300 0.462 1.00 0.00 C ATOM 146 OG SER A 11 16.600 -0.590 -0.555 1.00 0.00 O ATOM 0 H SER A 11 14.903 -3.118 -2.082 1.00 0.00 H new ATOM 0 HA SER A 11 15.448 -3.386 0.554 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.164 -0.641 0.924 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.598 -1.596 1.245 1.00 0.00 H new ATOM 0 HG SER A 11 17.515 -0.933 -0.622 1.00 0.00 H new ATOM 151 N VAL A 12 13.093 -2.413 -1.262 1.00 0.00 N ATOM 152 CA VAL A 12 11.656 -2.242 -1.400 1.00 0.00 C ATOM 153 C VAL A 12 10.982 -3.615 -1.400 1.00 0.00 C ATOM 154 O VAL A 12 11.248 -4.443 -2.270 1.00 0.00 O ATOM 155 CB VAL A 12 11.345 -1.423 -2.654 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.645 -2.226 -3.921 1.00 0.00 C ATOM 157 CG2 VAL A 12 9.895 -0.935 -2.644 1.00 0.00 C ATOM 0 H VAL A 12 13.588 -2.587 -2.137 1.00 0.00 H new ATOM 0 HA VAL A 12 11.254 -1.683 -0.555 1.00 0.00 H new ATOM 0 HB VAL A 12 11.993 -0.547 -2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.415 -1.621 -4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.700 -2.501 -3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.034 -3.129 -3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.700 -0.355 -3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.223 -1.792 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.728 -0.309 -1.767 1.00 0.00 H new ATOM 167 N LEU A 13 10.119 -3.815 -0.413 1.00 0.00 N ATOM 168 CA LEU A 13 9.405 -5.074 -0.289 1.00 0.00 C ATOM 169 C LEU A 13 8.038 -4.948 -0.966 1.00 0.00 C ATOM 170 O LEU A 13 7.157 -4.249 -0.468 1.00 0.00 O ATOM 171 CB LEU A 13 9.327 -5.504 1.178 1.00 0.00 C ATOM 172 CG LEU A 13 9.932 -4.533 2.194 1.00 0.00 C ATOM 173 CD1 LEU A 13 11.339 -4.105 1.772 1.00 0.00 C ATOM 174 CD2 LEU A 13 9.011 -3.331 2.420 1.00 0.00 C ATOM 0 H LEU A 13 9.899 -3.127 0.307 1.00 0.00 H new ATOM 0 HA LEU A 13 9.944 -5.870 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.279 -5.661 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.829 -6.466 1.281 1.00 0.00 H new ATOM 0 HG LEU A 13 10.025 -5.051 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.746 -3.415 2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.981 -4.983 1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.293 -3.611 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.465 -2.657 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.863 -2.803 1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.048 -3.676 2.797 1.00 0.00 H new ATOM 185 N CYS A 14 7.905 -5.636 -2.090 1.00 0.00 N ATOM 186 CA CYS A 14 6.660 -5.611 -2.840 1.00 0.00 C ATOM 187 C CYS A 14 5.640 -6.485 -2.108 1.00 0.00 C ATOM 188 O CYS A 14 5.917 -7.644 -1.802 1.00 0.00 O ATOM 189 CB CYS A 14 6.863 -6.061 -4.288 1.00 0.00 C ATOM 190 SG CYS A 14 8.592 -5.751 -4.804 1.00 0.00 S ATOM 0 H CYS A 14 8.638 -6.214 -2.500 1.00 0.00 H new ATOM 0 HA CYS A 14 6.287 -4.588 -2.896 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.631 -7.122 -4.384 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.177 -5.524 -4.944 1.00 0.00 H new ATOM 0 HG CYS A 14 8.599 -5.046 -5.896 1.00 0.00 H new ATOM 195 N ILE A 15 4.481 -5.896 -1.851 1.00 0.00 N ATOM 196 CA ILE A 15 3.418 -6.608 -1.161 1.00 0.00 C ATOM 197 C ILE A 15 2.242 -6.811 -2.118 1.00 0.00 C ATOM 198 O ILE A 15 1.338 -5.979 -2.182 1.00 0.00 O ATOM 199 CB ILE A 15 3.040 -5.882 0.132 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.954 -6.305 1.285 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.562 -6.092 0.467 1.00 0.00 C ATOM 202 CD1 ILE A 15 5.424 -6.270 0.861 1.00 0.00 C ATOM 0 H ILE A 15 4.255 -4.935 -2.108 1.00 0.00 H new ATOM 0 HA ILE A 15 3.757 -7.598 -0.857 1.00 0.00 H new ATOM 0 HB ILE A 15 3.187 -4.813 -0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.802 -5.642 2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.690 -7.311 1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.320 -5.566 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.946 -5.704 -0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.365 -7.157 0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.052 -6.575 1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.578 -6.952 0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.691 -5.258 0.557 1.00 0.00 H new ATOM 213 N ARG A 16 2.292 -7.923 -2.838 1.00 0.00 N ATOM 214 CA ARG A 16 1.241 -8.246 -3.788 1.00 0.00 C ATOM 215 C ARG A 16 0.135 -9.052 -3.104 1.00 0.00 C ATOM 216 O ARG A 16 0.337 -10.212 -2.748 1.00 0.00 O ATOM 217 CB ARG A 16 1.794 -9.050 -4.967 1.00 0.00 C ATOM 218 CG ARG A 16 1.512 -8.342 -6.294 1.00 0.00 C ATOM 219 CD ARG A 16 2.788 -8.215 -7.130 1.00 0.00 C ATOM 220 NE ARG A 16 2.479 -7.582 -8.430 1.00 0.00 N ATOM 221 CZ ARG A 16 1.984 -8.245 -9.498 1.00 0.00 C ATOM 222 NH1 ARG A 16 1.738 -9.570 -9.426 1.00 0.00 N ATOM 223 NH2 ARG A 16 1.746 -7.577 -10.611 1.00 0.00 N ATOM 0 H ARG A 16 3.043 -8.611 -2.782 1.00 0.00 H new ATOM 0 HA ARG A 16 0.832 -7.307 -4.162 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.868 -9.188 -4.846 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.344 -10.043 -4.978 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.760 -8.898 -6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.099 -7.352 -6.101 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.527 -7.620 -6.593 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.227 -9.200 -7.291 1.00 0.00 H new ATOM 0 HE ARG A 16 2.650 -6.581 -8.527 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.926 -10.077 -8.561 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.364 -10.064 -10.236 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.936 -6.576 -10.655 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.372 -8.062 -11.427 1.00 0.00 H new ATOM 233 N LEU A 17 -1.009 -8.405 -2.940 1.00 0.00 N ATOM 234 CA LEU A 17 -2.147 -9.047 -2.305 1.00 0.00 C ATOM 235 C LEU A 17 -3.267 -9.224 -3.333 1.00 0.00 C ATOM 236 O LEU A 17 -3.576 -8.301 -4.085 1.00 0.00 O ATOM 237 CB LEU A 17 -2.574 -8.269 -1.059 1.00 0.00 C ATOM 238 CG LEU A 17 -3.977 -8.570 -0.528 1.00 0.00 C ATOM 239 CD1 LEU A 17 -5.046 -7.896 -1.392 1.00 0.00 C ATOM 240 CD2 LEU A 17 -4.205 -10.077 -0.406 1.00 0.00 C ATOM 0 H LEU A 17 -1.172 -7.443 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.876 -10.043 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.855 -8.471 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.512 -7.204 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.061 -8.150 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.034 -8.126 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.893 -6.817 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.973 -8.265 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.210 -10.263 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.095 -10.542 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.473 -10.501 0.281 1.00 0.00 H new ATOM 251 N THR A 18 -3.844 -10.416 -3.333 1.00 0.00 N ATOM 252 CA THR A 18 -4.923 -10.726 -4.256 1.00 0.00 C ATOM 253 C THR A 18 -6.155 -11.212 -3.491 1.00 0.00 C ATOM 254 O THR A 18 -6.123 -12.268 -2.860 1.00 0.00 O ATOM 255 CB THR A 18 -4.398 -11.742 -5.271 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.485 -12.541 -4.524 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.529 -11.096 -6.351 1.00 0.00 C ATOM 0 H THR A 18 -3.585 -11.180 -2.708 1.00 0.00 H new ATOM 0 HA THR A 18 -5.246 -9.839 -4.800 1.00 0.00 H new ATOM 0 HB THR A 18 -5.239 -12.253 -5.739 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.099 -13.228 -5.107 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.183 -11.861 -7.045 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.114 -10.353 -6.893 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.670 -10.613 -5.886 1.00 0.00 H new ATOM 265 N GLY A 19 -7.213 -10.419 -3.572 1.00 0.00 N ATOM 266 CA GLY A 19 -8.455 -10.755 -2.896 1.00 0.00 C ATOM 267 C GLY A 19 -9.332 -9.515 -2.713 1.00 0.00 C ATOM 268 O GLY A 19 -9.693 -8.856 -3.686 1.00 0.00 O ATOM 0 H GLY A 19 -7.236 -9.544 -4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.996 -11.505 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.236 -11.197 -1.924 1.00 0.00 H new ATOM 272 N GLU A 20 -9.651 -9.235 -1.458 1.00 0.00 N ATOM 273 CA GLU A 20 -10.480 -8.086 -1.133 1.00 0.00 C ATOM 274 C GLU A 20 -9.754 -7.171 -0.143 1.00 0.00 C ATOM 275 O GLU A 20 -8.828 -7.603 0.541 1.00 0.00 O ATOM 276 CB GLU A 20 -11.836 -8.526 -0.581 1.00 0.00 C ATOM 277 CG GLU A 20 -12.922 -8.427 -1.654 1.00 0.00 C ATOM 278 CD GLU A 20 -13.978 -9.520 -1.468 1.00 0.00 C ATOM 279 OE1 GLU A 20 -13.692 -10.560 -0.856 1.00 0.00 O ATOM 280 OE2 GLU A 20 -15.131 -9.258 -1.985 1.00 0.00 O ATOM 0 H GLU A 20 -9.350 -9.784 -0.653 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.664 -7.524 -2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.770 -9.552 -0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.105 -7.903 0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.396 -7.447 -1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.471 -8.516 -2.642 1.00 0.00 H new ATOM 286 N LEU A 21 -10.205 -5.926 -0.099 1.00 0.00 N ATOM 287 CA LEU A 21 -9.611 -4.948 0.796 1.00 0.00 C ATOM 288 C LEU A 21 -10.672 -4.455 1.782 1.00 0.00 C ATOM 289 O LEU A 21 -11.424 -3.529 1.478 1.00 0.00 O ATOM 290 CB LEU A 21 -8.945 -3.825 -0.003 1.00 0.00 C ATOM 291 CG LEU A 21 -7.439 -3.967 -0.232 1.00 0.00 C ATOM 292 CD1 LEU A 21 -6.998 -5.426 -0.086 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.033 -3.378 -1.584 1.00 0.00 C ATOM 0 H LEU A 21 -10.974 -5.572 -0.668 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.815 -5.404 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.435 -3.757 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.127 -2.882 0.513 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.920 -3.395 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.923 -5.500 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.234 -5.779 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.522 -6.040 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.958 -3.492 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.559 -3.902 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.293 -2.320 -1.613 1.00 0.00 H new ATOM 304 N ASP A 22 -10.700 -5.095 2.941 1.00 0.00 N ATOM 305 CA ASP A 22 -11.657 -4.733 3.973 1.00 0.00 C ATOM 306 C ASP A 22 -10.971 -4.785 5.340 1.00 0.00 C ATOM 307 O ASP A 22 -9.827 -5.224 5.447 1.00 0.00 O ATOM 308 CB ASP A 22 -12.835 -5.708 3.998 1.00 0.00 C ATOM 309 CG ASP A 22 -13.272 -6.231 2.628 1.00 0.00 C ATOM 310 OD1 ASP A 22 -12.461 -6.333 1.696 1.00 0.00 O ATOM 311 OD2 ASP A 22 -14.520 -6.544 2.536 1.00 0.00 O ATOM 0 H ASP A 22 -10.075 -5.862 3.189 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.024 -3.730 3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.570 -6.558 4.627 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.685 -5.215 4.470 1.00 0.00 H new ATOM 316 N HIS A 23 -11.699 -4.332 6.350 1.00 0.00 N ATOM 317 CA HIS A 23 -11.175 -4.322 7.705 1.00 0.00 C ATOM 318 C HIS A 23 -10.771 -5.741 8.110 1.00 0.00 C ATOM 319 O HIS A 23 -10.049 -5.930 9.088 1.00 0.00 O ATOM 320 CB HIS A 23 -12.181 -3.693 8.672 1.00 0.00 C ATOM 321 CG HIS A 23 -13.124 -4.685 9.308 1.00 0.00 C ATOM 322 ND1 HIS A 23 -12.991 -5.113 10.618 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.216 -5.329 8.801 1.00 0.00 C ATOM 324 CE1 HIS A 23 -13.964 -5.974 10.876 1.00 0.00 C ATOM 325 NE2 HIS A 23 -14.720 -6.108 9.749 1.00 0.00 N ATOM 0 H HIS A 23 -12.648 -3.969 6.257 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.280 -3.701 7.748 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.636 -3.170 9.458 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.765 -2.944 8.137 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.604 -5.222 7.799 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.130 -6.481 11.815 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -15.539 -6.709 9.651 1.00 0.00 H new ATOM 332 N HIS A 24 -11.254 -6.702 7.337 1.00 0.00 N ATOM 333 CA HIS A 24 -10.953 -8.099 7.602 1.00 0.00 C ATOM 334 C HIS A 24 -9.791 -8.551 6.715 1.00 0.00 C ATOM 335 O HIS A 24 -8.930 -9.312 7.153 1.00 0.00 O ATOM 336 CB HIS A 24 -12.201 -8.967 7.431 1.00 0.00 C ATOM 337 CG HIS A 24 -13.142 -8.928 8.613 1.00 0.00 C ATOM 338 ND1 HIS A 24 -12.786 -9.388 9.869 1.00 0.00 N ATOM 339 CD2 HIS A 24 -14.426 -8.480 8.716 1.00 0.00 C ATOM 340 CE1 HIS A 24 -13.818 -9.220 10.683 1.00 0.00 C ATOM 341 NE2 HIS A 24 -14.834 -8.658 9.966 1.00 0.00 N ATOM 0 H HIS A 24 -11.852 -6.541 6.527 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.640 -8.216 8.640 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.739 -8.641 6.540 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.893 -9.998 7.258 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -11.883 -9.788 10.124 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -15.012 -8.053 7.916 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.850 -9.482 11.730 1.00 0.00 H new ATOM 348 N THR A 25 -9.804 -8.063 5.484 1.00 0.00 N ATOM 349 CA THR A 25 -8.763 -8.407 4.531 1.00 0.00 C ATOM 350 C THR A 25 -7.534 -7.521 4.741 1.00 0.00 C ATOM 351 O THR A 25 -6.406 -7.950 4.499 1.00 0.00 O ATOM 352 CB THR A 25 -9.355 -8.301 3.124 1.00 0.00 C ATOM 353 OG1 THR A 25 -9.038 -6.974 2.713 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.885 -8.334 3.128 1.00 0.00 C ATOM 0 H THR A 25 -10.520 -7.432 5.124 1.00 0.00 H new ATOM 0 HA THR A 25 -8.416 -9.430 4.677 1.00 0.00 H new ATOM 0 HB THR A 25 -8.976 -9.117 2.509 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.410 -7.006 1.961 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.253 -8.256 2.105 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.228 -9.271 3.566 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.265 -7.498 3.716 1.00 0.00 H new ATOM 362 N ALA A 26 -7.792 -6.302 5.189 1.00 0.00 N ATOM 363 CA ALA A 26 -6.721 -5.352 5.435 1.00 0.00 C ATOM 364 C ALA A 26 -5.918 -5.801 6.658 1.00 0.00 C ATOM 365 O ALA A 26 -4.709 -5.582 6.726 1.00 0.00 O ATOM 366 CB ALA A 26 -7.310 -3.950 5.608 1.00 0.00 C ATOM 0 H ALA A 26 -8.728 -5.950 5.388 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.038 -5.316 4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.506 -3.238 5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.845 -3.666 4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.999 -3.946 6.453 1.00 0.00 H new ATOM 372 N GLU A 27 -6.622 -6.420 7.594 1.00 0.00 N ATOM 373 CA GLU A 27 -5.990 -6.901 8.810 1.00 0.00 C ATOM 374 C GLU A 27 -4.817 -7.823 8.471 1.00 0.00 C ATOM 375 O GLU A 27 -3.707 -7.630 8.963 1.00 0.00 O ATOM 376 CB GLU A 27 -7.003 -7.611 9.711 1.00 0.00 C ATOM 377 CG GLU A 27 -7.121 -6.908 11.064 1.00 0.00 C ATOM 378 CD GLU A 27 -7.644 -7.867 12.136 1.00 0.00 C ATOM 379 OE1 GLU A 27 -6.922 -8.785 12.552 1.00 0.00 O ATOM 380 OE2 GLU A 27 -8.846 -7.631 12.540 1.00 0.00 O ATOM 0 H GLU A 27 -7.624 -6.599 7.535 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.604 -6.042 9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.977 -7.633 9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.698 -8.647 9.861 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.147 -6.519 11.362 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.792 -6.053 10.977 1.00 0.00 H new ATOM 386 N THR A 28 -5.104 -8.806 7.629 1.00 0.00 N ATOM 387 CA THR A 28 -4.087 -9.759 7.219 1.00 0.00 C ATOM 388 C THR A 28 -2.782 -9.033 6.884 1.00 0.00 C ATOM 389 O THR A 28 -1.710 -9.438 7.334 1.00 0.00 O ATOM 390 CB THR A 28 -4.646 -10.573 6.049 1.00 0.00 C ATOM 391 OG1 THR A 28 -5.103 -11.780 6.654 1.00 0.00 O ATOM 392 CG2 THR A 28 -3.556 -11.031 5.079 1.00 0.00 C ATOM 0 H THR A 28 -6.025 -8.962 7.220 1.00 0.00 H new ATOM 0 HA THR A 28 -3.842 -10.449 8.027 1.00 0.00 H new ATOM 0 HB THR A 28 -5.382 -9.976 5.510 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.483 -12.367 5.967 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.007 -11.604 4.269 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.046 -10.160 4.667 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.837 -11.656 5.608 1.00 0.00 H new ATOM 400 N LEU A 29 -2.914 -7.976 6.098 1.00 0.00 N ATOM 401 CA LEU A 29 -1.759 -7.191 5.697 1.00 0.00 C ATOM 402 C LEU A 29 -1.194 -6.465 6.919 1.00 0.00 C ATOM 403 O LEU A 29 0.008 -6.214 6.997 1.00 0.00 O ATOM 404 CB LEU A 29 -2.119 -6.257 4.540 1.00 0.00 C ATOM 405 CG LEU A 29 -1.065 -6.117 3.439 1.00 0.00 C ATOM 406 CD1 LEU A 29 -0.503 -7.482 3.039 1.00 0.00 C ATOM 407 CD2 LEU A 29 -1.626 -5.354 2.238 1.00 0.00 C ATOM 0 H LEU A 29 -3.804 -7.644 5.727 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.971 -7.841 5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.044 -6.612 4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.323 -5.267 4.948 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.235 -5.532 3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.243 -7.353 2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.041 -7.953 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.311 -8.114 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.857 -5.268 1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.484 -5.891 1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.937 -4.358 2.553 1.00 0.00 H new ATOM 418 N LYS A 30 -2.087 -6.147 7.844 1.00 0.00 N ATOM 419 CA LYS A 30 -1.693 -5.454 9.059 1.00 0.00 C ATOM 420 C LYS A 30 -0.426 -6.101 9.623 1.00 0.00 C ATOM 421 O LYS A 30 0.503 -5.406 10.032 1.00 0.00 O ATOM 422 CB LYS A 30 -2.855 -5.409 10.052 1.00 0.00 C ATOM 423 CG LYS A 30 -2.640 -4.315 11.101 1.00 0.00 C ATOM 424 CD LYS A 30 -3.327 -3.013 10.682 1.00 0.00 C ATOM 425 CE LYS A 30 -2.303 -1.985 10.197 1.00 0.00 C ATOM 426 NZ LYS A 30 -2.744 -0.614 10.538 1.00 0.00 N ATOM 0 H LYS A 30 -3.083 -6.357 7.777 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.450 -4.414 8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.787 -5.227 9.518 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.954 -6.376 10.545 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.033 -4.645 12.062 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.573 -4.140 11.236 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.047 -3.216 9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.886 -2.605 11.524 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.333 -2.186 10.653 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.172 -2.074 9.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.381 0.054 9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.783 -0.576 10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.378 -0.355 11.476 1.00 0.00 H new ATOM 435 N GLN A 31 -0.430 -7.427 9.627 1.00 0.00 N ATOM 436 CA GLN A 31 0.707 -8.176 10.133 1.00 0.00 C ATOM 437 C GLN A 31 1.876 -8.100 9.147 1.00 0.00 C ATOM 438 O GLN A 31 3.036 -8.114 9.553 1.00 0.00 O ATOM 439 CB GLN A 31 0.323 -9.629 10.417 1.00 0.00 C ATOM 440 CG GLN A 31 0.255 -10.442 9.122 1.00 0.00 C ATOM 441 CD GLN A 31 -0.940 -11.397 9.136 1.00 0.00 C ATOM 442 OE1 GLN A 31 -0.824 -12.581 8.868 1.00 0.00 O ATOM 443 NE2 GLN A 31 -2.091 -10.818 9.462 1.00 0.00 N ATOM 0 H GLN A 31 -1.202 -8.001 9.288 1.00 0.00 H new ATOM 0 HA GLN A 31 1.023 -7.727 11.075 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.052 -10.076 11.093 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.642 -9.662 10.922 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.176 -9.768 8.269 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.177 -11.009 8.996 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.118 -9.821 9.675 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.947 -11.371 9.499 1.00 0.00 H new ATOM 450 N LYS A 32 1.527 -8.022 7.871 1.00 0.00 N ATOM 451 CA LYS A 32 2.532 -7.944 6.824 1.00 0.00 C ATOM 452 C LYS A 32 3.210 -6.573 6.876 1.00 0.00 C ATOM 453 O LYS A 32 4.287 -6.388 6.312 1.00 0.00 O ATOM 454 CB LYS A 32 1.915 -8.274 5.464 1.00 0.00 C ATOM 455 CG LYS A 32 2.802 -7.772 4.323 1.00 0.00 C ATOM 456 CD LYS A 32 4.237 -8.279 4.482 1.00 0.00 C ATOM 457 CE LYS A 32 5.233 -7.318 3.827 1.00 0.00 C ATOM 458 NZ LYS A 32 6.497 -7.281 4.595 1.00 0.00 N ATOM 0 H LYS A 32 0.563 -8.011 7.539 1.00 0.00 H new ATOM 0 HA LYS A 32 3.309 -8.691 6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.777 -9.352 5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.927 -7.819 5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.397 -8.108 3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.797 -6.682 4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.473 -8.388 5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.330 -9.267 4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.432 -7.633 2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.802 -6.318 3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.180 -6.664 4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.313 -6.911 5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.888 -8.242 4.666 1.00 0.00 H new ATOM 467 N VAL A 33 2.551 -5.647 7.557 1.00 0.00 N ATOM 468 CA VAL A 33 3.077 -4.299 7.690 1.00 0.00 C ATOM 469 C VAL A 33 4.018 -4.240 8.894 1.00 0.00 C ATOM 470 O VAL A 33 5.120 -3.702 8.799 1.00 0.00 O ATOM 471 CB VAL A 33 1.925 -3.294 7.780 1.00 0.00 C ATOM 472 CG1 VAL A 33 2.399 -1.884 7.422 1.00 0.00 C ATOM 473 CG2 VAL A 33 0.755 -3.722 6.892 1.00 0.00 C ATOM 0 H VAL A 33 1.657 -5.804 8.023 1.00 0.00 H new ATOM 0 HA VAL A 33 3.659 -4.027 6.809 1.00 0.00 H new ATOM 0 HB VAL A 33 1.574 -3.277 8.812 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.562 -1.190 7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.185 -1.578 8.113 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.789 -1.879 6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.050 -2.992 6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.087 -3.781 5.856 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.393 -4.699 7.213 1.00 0.00 H new ATOM 483 N THR A 34 3.548 -4.799 10.000 1.00 0.00 N ATOM 484 CA THR A 34 4.334 -4.816 11.222 1.00 0.00 C ATOM 485 C THR A 34 5.786 -5.191 10.917 1.00 0.00 C ATOM 486 O THR A 34 6.704 -4.737 11.598 1.00 0.00 O ATOM 487 CB THR A 34 3.655 -5.768 12.208 1.00 0.00 C ATOM 488 OG1 THR A 34 4.438 -5.658 13.393 1.00 0.00 O ATOM 489 CG2 THR A 34 3.802 -7.235 11.800 1.00 0.00 C ATOM 0 H THR A 34 2.633 -5.243 10.075 1.00 0.00 H new ATOM 0 HA THR A 34 4.376 -3.827 11.679 1.00 0.00 H new ATOM 0 HB THR A 34 2.597 -5.516 12.285 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.066 -6.242 14.086 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.303 -7.868 12.533 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.349 -7.387 10.820 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.859 -7.496 11.755 1.00 0.00 H new ATOM 497 N GLN A 35 5.948 -6.016 9.893 1.00 0.00 N ATOM 498 CA GLN A 35 7.272 -6.457 9.490 1.00 0.00 C ATOM 499 C GLN A 35 8.070 -5.286 8.914 1.00 0.00 C ATOM 500 O GLN A 35 9.231 -5.087 9.267 1.00 0.00 O ATOM 501 CB GLN A 35 7.185 -7.607 8.483 1.00 0.00 C ATOM 502 CG GLN A 35 6.761 -8.906 9.172 1.00 0.00 C ATOM 503 CD GLN A 35 6.252 -9.926 8.151 1.00 0.00 C ATOM 504 OE1 GLN A 35 6.645 -11.081 8.139 1.00 0.00 O ATOM 505 NE2 GLN A 35 5.356 -9.437 7.299 1.00 0.00 N ATOM 0 H GLN A 35 5.184 -6.391 9.330 1.00 0.00 H new ATOM 0 HA GLN A 35 7.793 -6.828 10.373 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.470 -7.356 7.700 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.152 -7.746 7.999 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.606 -9.324 9.719 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.980 -8.696 9.903 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.070 -8.460 7.364 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.954 -10.039 6.580 1.00 0.00 H new ATOM 512 N SER A 36 7.415 -4.539 8.037 1.00 0.00 N ATOM 513 CA SER A 36 8.048 -3.392 7.410 1.00 0.00 C ATOM 514 C SER A 36 8.036 -2.198 8.367 1.00 0.00 C ATOM 515 O SER A 36 8.876 -1.306 8.263 1.00 0.00 O ATOM 516 CB SER A 36 7.351 -3.026 6.098 1.00 0.00 C ATOM 517 OG SER A 36 8.268 -2.533 5.125 1.00 0.00 O ATOM 0 H SER A 36 6.452 -4.706 7.746 1.00 0.00 H new ATOM 0 HA SER A 36 9.080 -3.656 7.181 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.840 -3.904 5.702 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.588 -2.272 6.291 1.00 0.00 H new ATOM 0 HG SER A 36 7.780 -2.025 4.444 1.00 0.00 H new ATOM 522 N LEU A 37 7.073 -2.221 9.277 1.00 0.00 N ATOM 523 CA LEU A 37 6.940 -1.151 10.251 1.00 0.00 C ATOM 524 C LEU A 37 8.268 -0.972 10.990 1.00 0.00 C ATOM 525 O LEU A 37 8.622 0.142 11.375 1.00 0.00 O ATOM 526 CB LEU A 37 5.752 -1.416 11.179 1.00 0.00 C ATOM 527 CG LEU A 37 4.635 -0.372 11.153 1.00 0.00 C ATOM 528 CD1 LEU A 37 5.193 1.036 11.370 1.00 0.00 C ATOM 529 CD2 LEU A 37 3.821 -0.472 9.860 1.00 0.00 C ATOM 0 H LEU A 37 6.378 -2.963 9.360 1.00 0.00 H new ATOM 0 HA LEU A 37 6.722 -0.207 9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.323 -2.384 10.920 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.125 -1.495 12.200 1.00 0.00 H new ATOM 0 HG LEU A 37 3.956 -0.580 11.980 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.377 1.758 11.347 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.693 1.084 12.337 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.907 1.270 10.581 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.033 0.281 9.867 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.475 -0.305 9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.374 -1.464 9.787 1.00 0.00 H new ATOM 540 N GLU A 38 8.966 -2.084 11.165 1.00 0.00 N ATOM 541 CA GLU A 38 10.248 -2.063 11.849 1.00 0.00 C ATOM 542 C GLU A 38 11.047 -3.326 11.518 1.00 0.00 C ATOM 543 O GLU A 38 11.253 -4.178 12.381 1.00 0.00 O ATOM 544 CB GLU A 38 10.059 -1.913 13.359 1.00 0.00 C ATOM 545 CG GLU A 38 10.362 -0.483 13.811 1.00 0.00 C ATOM 546 CD GLU A 38 11.838 -0.142 13.599 1.00 0.00 C ATOM 547 OE1 GLU A 38 12.692 -1.040 13.622 1.00 0.00 O ATOM 548 OE2 GLU A 38 12.085 1.109 13.404 1.00 0.00 O ATOM 0 H GLU A 38 8.668 -3.006 10.845 1.00 0.00 H new ATOM 0 HA GLU A 38 10.812 -1.199 11.499 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.036 -2.174 13.629 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.714 -2.610 13.882 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.740 0.218 13.254 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.106 -0.369 14.864 1.00 0.00 H new ATOM 554 N LYS A 39 11.475 -3.407 10.267 1.00 0.00 N ATOM 555 CA LYS A 39 12.246 -4.551 9.812 1.00 0.00 C ATOM 556 C LYS A 39 13.660 -4.470 10.392 1.00 0.00 C ATOM 557 O LYS A 39 14.176 -5.454 10.919 1.00 0.00 O ATOM 558 CB LYS A 39 12.212 -4.648 8.286 1.00 0.00 C ATOM 559 CG LYS A 39 13.450 -3.996 7.667 1.00 0.00 C ATOM 560 CD LYS A 39 13.549 -4.317 6.174 1.00 0.00 C ATOM 561 CE LYS A 39 14.014 -5.757 5.951 1.00 0.00 C ATOM 562 NZ LYS A 39 14.580 -5.915 4.593 1.00 0.00 N ATOM 0 H LYS A 39 11.302 -2.698 9.554 1.00 0.00 H new ATOM 0 HA LYS A 39 11.803 -5.478 10.177 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.159 -5.695 7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.313 -4.162 7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.406 -2.916 7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.346 -4.348 8.179 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.578 -4.168 5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.246 -3.628 5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.763 -6.023 6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.176 -6.441 6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.420 -6.527 4.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.869 -6.346 3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.849 -4.983 4.219 1.00 0.00 H new ATOM 571 N ASP A 40 14.247 -3.287 10.273 1.00 0.00 N ATOM 572 CA ASP A 40 15.592 -3.065 10.777 1.00 0.00 C ATOM 573 C ASP A 40 16.044 -1.652 10.405 1.00 0.00 C ATOM 574 O ASP A 40 15.823 -0.707 11.159 1.00 0.00 O ATOM 575 CB ASP A 40 16.581 -4.057 10.163 1.00 0.00 C ATOM 576 CG ASP A 40 16.731 -5.376 10.924 1.00 0.00 C ATOM 577 OD1 ASP A 40 16.910 -5.389 12.150 1.00 0.00 O ATOM 578 OD2 ASP A 40 16.658 -6.437 10.194 1.00 0.00 O ATOM 0 H ASP A 40 13.816 -2.473 9.835 1.00 0.00 H new ATOM 0 HA ASP A 40 15.574 -3.199 11.859 1.00 0.00 H new ATOM 0 HB2 ASP A 40 16.266 -4.277 9.143 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.559 -3.579 10.098 1.00 0.00 H new ATOM 583 N ASP A 41 16.670 -1.553 9.241 1.00 0.00 N ATOM 584 CA ASP A 41 17.156 -0.272 8.759 1.00 0.00 C ATOM 585 C ASP A 41 15.976 0.554 8.242 1.00 0.00 C ATOM 586 O ASP A 41 15.078 0.905 9.005 1.00 0.00 O ATOM 587 CB ASP A 41 18.145 -0.456 7.606 1.00 0.00 C ATOM 588 CG ASP A 41 18.788 0.833 7.094 1.00 0.00 C ATOM 589 OD1 ASP A 41 19.092 1.749 7.872 1.00 0.00 O ATOM 590 OD2 ASP A 41 18.977 0.879 5.818 1.00 0.00 O ATOM 0 H ASP A 41 16.852 -2.340 8.618 1.00 0.00 H new ATOM 0 HA ASP A 41 17.656 0.232 9.586 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.934 -1.134 7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.628 -0.940 6.778 1.00 0.00 H new ATOM 595 N ILE A 42 16.018 0.841 6.950 1.00 0.00 N ATOM 596 CA ILE A 42 14.963 1.620 6.321 1.00 0.00 C ATOM 597 C ILE A 42 14.770 1.140 4.881 1.00 0.00 C ATOM 598 O ILE A 42 15.377 1.678 3.958 1.00 0.00 O ATOM 599 CB ILE A 42 15.261 3.116 6.437 1.00 0.00 C ATOM 600 CG1 ILE A 42 14.594 3.714 7.677 1.00 0.00 C ATOM 601 CG2 ILE A 42 14.861 3.855 5.158 1.00 0.00 C ATOM 602 CD1 ILE A 42 13.141 3.249 7.797 1.00 0.00 C ATOM 0 H ILE A 42 16.765 0.549 6.321 1.00 0.00 H new ATOM 0 HA ILE A 42 14.015 1.467 6.837 1.00 0.00 H new ATOM 0 HB ILE A 42 16.337 3.242 6.559 1.00 0.00 H new ATOM 0 HG12 ILE A 42 15.148 3.421 8.569 1.00 0.00 H new ATOM 0 HG13 ILE A 42 14.628 4.802 7.623 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.083 4.917 5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.421 3.451 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 42 13.793 3.724 4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 42 12.691 3.689 8.687 1.00 0.00 H new ATOM 0 HD12 ILE A 42 12.584 3.564 6.915 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.112 2.162 7.875 1.00 0.00 H new ATOM 613 N ARG A 43 13.921 0.134 4.736 1.00 0.00 N ATOM 614 CA ARG A 43 13.638 -0.424 3.424 1.00 0.00 C ATOM 615 C ARG A 43 12.554 0.394 2.721 1.00 0.00 C ATOM 616 O ARG A 43 12.220 1.495 3.158 1.00 0.00 O ATOM 617 CB ARG A 43 13.180 -1.880 3.532 1.00 0.00 C ATOM 618 CG ARG A 43 14.342 -2.842 3.275 1.00 0.00 C ATOM 619 CD ARG A 43 15.646 -2.293 3.858 1.00 0.00 C ATOM 620 NE ARG A 43 16.414 -3.385 4.497 1.00 0.00 N ATOM 621 CZ ARG A 43 17.180 -4.268 3.821 1.00 0.00 C ATOM 622 NH1 ARG A 43 17.286 -4.195 2.478 1.00 0.00 N ATOM 623 NH2 ARG A 43 17.823 -5.205 4.494 1.00 0.00 N ATOM 0 H ARG A 43 13.419 -0.310 5.505 1.00 0.00 H new ATOM 0 HA ARG A 43 14.559 -0.387 2.843 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.766 -2.062 4.524 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.382 -2.068 2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.121 -3.812 3.719 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.457 -3.001 2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 43 16.241 -1.832 3.069 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.428 -1.515 4.589 1.00 0.00 H new ATOM 0 HE ARG A 43 16.361 -3.476 5.512 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.785 -3.469 1.966 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.867 -4.866 1.975 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.737 -5.254 5.509 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.406 -5.880 3.999 1.00 0.00 H new ATOM 633 N HIS A 44 12.034 -0.174 1.644 1.00 0.00 N ATOM 634 CA HIS A 44 10.994 0.489 0.875 1.00 0.00 C ATOM 635 C HIS A 44 9.795 -0.449 0.718 1.00 0.00 C ATOM 636 O HIS A 44 9.936 -1.666 0.827 1.00 0.00 O ATOM 637 CB HIS A 44 11.540 0.983 -0.465 1.00 0.00 C ATOM 638 CG HIS A 44 12.477 2.162 -0.350 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.213 3.252 0.459 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.678 2.407 -0.949 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.216 4.111 0.344 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.123 3.585 -0.529 1.00 0.00 N ATOM 0 H HIS A 44 12.313 -1.087 1.285 1.00 0.00 H new ATOM 0 HA HIS A 44 10.651 1.375 1.409 1.00 0.00 H new ATOM 0 HB2 HIS A 44 12.063 0.163 -0.957 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.703 1.258 -1.107 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.181 1.754 -1.646 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.300 5.060 0.852 1.00 0.00 H new ATOM 0 HE2 HIS A 44 14.999 4.025 -0.812 1.00 0.00 H new ATOM 649 N ILE A 45 8.642 0.154 0.465 1.00 0.00 N ATOM 650 CA ILE A 45 7.420 -0.612 0.292 1.00 0.00 C ATOM 651 C ILE A 45 7.040 -0.630 -1.190 1.00 0.00 C ATOM 652 O ILE A 45 7.510 0.201 -1.965 1.00 0.00 O ATOM 653 CB ILE A 45 6.316 -0.071 1.202 1.00 0.00 C ATOM 654 CG1 ILE A 45 5.447 0.950 0.465 1.00 0.00 C ATOM 655 CG2 ILE A 45 6.901 0.502 2.494 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.277 1.748 -0.544 1.00 0.00 C ATOM 0 H ILE A 45 8.529 1.164 0.376 1.00 0.00 H new ATOM 0 HA ILE A 45 7.574 -1.648 0.595 1.00 0.00 H new ATOM 0 HB ILE A 45 5.669 -0.902 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.635 0.437 -0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.989 1.630 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.094 0.880 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.441 -0.280 3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.585 1.316 2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.636 2.467 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.073 2.278 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.713 1.068 -1.275 1.00 0.00 H new ATOM 667 N VAL A 46 6.195 -1.588 -1.540 1.00 0.00 N ATOM 668 CA VAL A 46 5.747 -1.726 -2.915 1.00 0.00 C ATOM 669 C VAL A 46 4.434 -2.511 -2.943 1.00 0.00 C ATOM 670 O VAL A 46 4.437 -3.726 -3.142 1.00 0.00 O ATOM 671 CB VAL A 46 6.847 -2.370 -3.762 1.00 0.00 C ATOM 672 CG1 VAL A 46 6.250 -3.275 -4.840 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.756 -1.305 -4.380 1.00 0.00 C ATOM 0 H VAL A 46 5.808 -2.277 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 46 5.550 -0.747 -3.352 1.00 0.00 H new ATOM 0 HB VAL A 46 7.456 -2.991 -3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.053 -3.720 -5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.665 -4.065 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.606 -2.687 -5.493 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.529 -1.789 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.165 -0.647 -5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.222 -0.720 -3.587 1.00 0.00 H new ATOM 683 N LEU A 47 3.343 -1.787 -2.742 1.00 0.00 N ATOM 684 CA LEU A 47 2.027 -2.401 -2.742 1.00 0.00 C ATOM 685 C LEU A 47 1.517 -2.505 -4.181 1.00 0.00 C ATOM 686 O LEU A 47 1.913 -1.720 -5.041 1.00 0.00 O ATOM 687 CB LEU A 47 1.082 -1.642 -1.809 1.00 0.00 C ATOM 688 CG LEU A 47 1.716 -1.054 -0.546 1.00 0.00 C ATOM 689 CD1 LEU A 47 0.781 -0.037 0.113 1.00 0.00 C ATOM 690 CD2 LEU A 47 2.135 -2.161 0.423 1.00 0.00 C ATOM 0 H LEU A 47 3.344 -0.780 -2.578 1.00 0.00 H new ATOM 0 HA LEU A 47 2.081 -3.416 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.622 -0.830 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.280 -2.317 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 47 2.621 -0.520 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.255 0.366 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.576 0.774 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.154 -0.526 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.583 -1.716 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.260 -2.744 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.862 -2.813 -0.062 1.00 0.00 H new ATOM 701 N ASN A 48 0.647 -3.481 -4.398 1.00 0.00 N ATOM 702 CA ASN A 48 0.079 -3.697 -5.717 1.00 0.00 C ATOM 703 C ASN A 48 -0.897 -4.873 -5.661 1.00 0.00 C ATOM 704 O ASN A 48 -0.482 -6.024 -5.531 1.00 0.00 O ATOM 705 CB ASN A 48 1.169 -4.036 -6.737 1.00 0.00 C ATOM 706 CG ASN A 48 2.246 -4.926 -6.113 1.00 0.00 C ATOM 707 OD1 ASN A 48 2.032 -5.599 -5.118 1.00 0.00 O ATOM 708 ND2 ASN A 48 3.412 -4.893 -6.751 1.00 0.00 N ATOM 0 H ASN A 48 0.322 -4.131 -3.682 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.427 -2.781 -6.020 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.725 -4.543 -7.594 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.622 -3.117 -7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.194 -5.453 -6.413 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.524 -4.308 -7.579 1.00 0.00 H new ATOM 714 N LEU A 49 -2.177 -4.544 -5.761 1.00 0.00 N ATOM 715 CA LEU A 49 -3.216 -5.558 -5.722 1.00 0.00 C ATOM 716 C LEU A 49 -3.854 -5.682 -7.108 1.00 0.00 C ATOM 717 O LEU A 49 -4.462 -4.733 -7.601 1.00 0.00 O ATOM 718 CB LEU A 49 -4.220 -5.256 -4.608 1.00 0.00 C ATOM 719 CG LEU A 49 -5.653 -4.965 -5.057 1.00 0.00 C ATOM 720 CD1 LEU A 49 -6.665 -5.506 -4.046 1.00 0.00 C ATOM 721 CD2 LEU A 49 -5.850 -3.470 -5.321 1.00 0.00 C ATOM 0 H LEU A 49 -2.518 -3.589 -5.869 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.789 -6.531 -5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.240 -6.105 -3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.857 -4.399 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.829 -5.486 -5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.676 -5.286 -4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.542 -6.585 -3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.500 -5.034 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.877 -3.289 -5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.649 -2.910 -4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.165 -3.146 -6.104 1.00 0.00 H new ATOM 732 N GLU A 50 -3.693 -6.858 -7.696 1.00 0.00 N ATOM 733 CA GLU A 50 -4.246 -7.118 -9.015 1.00 0.00 C ATOM 734 C GLU A 50 -5.687 -7.618 -8.897 1.00 0.00 C ATOM 735 O GLU A 50 -6.455 -7.537 -9.854 1.00 0.00 O ATOM 736 CB GLU A 50 -3.380 -8.115 -9.786 1.00 0.00 C ATOM 737 CG GLU A 50 -2.922 -7.527 -11.121 1.00 0.00 C ATOM 738 CD GLU A 50 -4.007 -7.681 -12.189 1.00 0.00 C ATOM 739 OE1 GLU A 50 -4.446 -8.806 -12.468 1.00 0.00 O ATOM 740 OE2 GLU A 50 -4.394 -6.578 -12.736 1.00 0.00 O ATOM 0 H GLU A 50 -3.187 -7.642 -7.284 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.252 -6.184 -9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.511 -8.386 -9.187 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.944 -9.031 -9.963 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.679 -6.472 -10.994 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.010 -8.027 -11.449 1.00 0.00 H new ATOM 746 N ASP A 51 -6.009 -8.124 -7.716 1.00 0.00 N ATOM 747 CA ASP A 51 -7.344 -8.637 -7.461 1.00 0.00 C ATOM 748 C ASP A 51 -8.125 -7.624 -6.622 1.00 0.00 C ATOM 749 O ASP A 51 -8.464 -7.895 -5.470 1.00 0.00 O ATOM 750 CB ASP A 51 -7.289 -9.953 -6.681 1.00 0.00 C ATOM 751 CG ASP A 51 -8.641 -10.469 -6.186 1.00 0.00 C ATOM 752 OD1 ASP A 51 -9.673 -9.796 -6.331 1.00 0.00 O ATOM 753 OD2 ASP A 51 -8.610 -11.629 -5.624 1.00 0.00 O ATOM 0 H ASP A 51 -5.368 -8.190 -6.925 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.828 -8.807 -8.423 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.837 -10.715 -7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.631 -9.821 -5.822 1.00 0.00 H new ATOM 758 N LEU A 52 -8.387 -6.476 -7.230 1.00 0.00 N ATOM 759 CA LEU A 52 -9.121 -5.421 -6.554 1.00 0.00 C ATOM 760 C LEU A 52 -10.621 -5.643 -6.749 1.00 0.00 C ATOM 761 O LEU A 52 -11.141 -5.464 -7.850 1.00 0.00 O ATOM 762 CB LEU A 52 -8.636 -4.047 -7.022 1.00 0.00 C ATOM 763 CG LEU A 52 -9.287 -2.840 -6.343 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.674 -2.564 -6.926 1.00 0.00 C ATOM 765 CD2 LEU A 52 -9.329 -3.021 -4.824 1.00 0.00 C ATOM 0 H LEU A 52 -8.103 -6.254 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.931 -5.452 -5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.559 -3.991 -6.864 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.805 -3.970 -8.096 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.673 -1.963 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.114 -1.701 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.586 -2.359 -7.993 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.312 -3.435 -6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.796 -2.149 -4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.907 -3.912 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.314 -3.131 -4.442 1.00 0.00 H new ATOM 776 N SER A 53 -11.277 -6.030 -5.665 1.00 0.00 N ATOM 777 CA SER A 53 -12.708 -6.278 -5.703 1.00 0.00 C ATOM 778 C SER A 53 -13.444 -5.227 -4.871 1.00 0.00 C ATOM 779 O SER A 53 -13.891 -4.210 -5.402 1.00 0.00 O ATOM 780 CB SER A 53 -13.037 -7.683 -5.194 1.00 0.00 C ATOM 781 OG SER A 53 -14.292 -7.727 -4.521 1.00 0.00 O ATOM 0 H SER A 53 -10.843 -6.178 -4.754 1.00 0.00 H new ATOM 0 HA SER A 53 -13.039 -6.209 -6.739 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.051 -8.378 -6.033 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.251 -8.017 -4.517 1.00 0.00 H new ATOM 0 HG SER A 53 -14.394 -8.594 -4.076 1.00 0.00 H new ATOM 786 N PHE A 54 -13.547 -5.506 -3.580 1.00 0.00 N ATOM 787 CA PHE A 54 -14.221 -4.596 -2.669 1.00 0.00 C ATOM 788 C PHE A 54 -13.406 -3.317 -2.467 1.00 0.00 C ATOM 789 O PHE A 54 -13.712 -2.281 -3.057 1.00 0.00 O ATOM 790 CB PHE A 54 -14.352 -5.321 -1.328 1.00 0.00 C ATOM 791 CG PHE A 54 -15.034 -4.492 -0.237 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.333 -4.115 -0.382 1.00 0.00 C ATOM 793 CD2 PHE A 54 -14.342 -4.134 0.878 1.00 0.00 C ATOM 794 CE1 PHE A 54 -16.966 -3.347 0.631 1.00 0.00 C ATOM 795 CE2 PHE A 54 -14.975 -3.367 1.890 1.00 0.00 C ATOM 796 CZ PHE A 54 -16.274 -2.989 1.745 1.00 0.00 C ATOM 0 H PHE A 54 -13.175 -6.349 -3.143 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.192 -4.314 -3.076 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -14.917 -6.241 -1.478 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.359 -5.609 -0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.883 -4.400 -1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.311 -4.434 0.993 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.997 -3.047 0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.426 -3.083 2.775 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.755 -2.404 2.515 1.00 0.00 H new ATOM 805 N MET A 55 -12.385 -3.431 -1.632 1.00 0.00 N ATOM 806 CA MET A 55 -11.522 -2.297 -1.345 1.00 0.00 C ATOM 807 C MET A 55 -12.347 -1.043 -1.046 1.00 0.00 C ATOM 808 O MET A 55 -12.630 -0.254 -1.946 1.00 0.00 O ATOM 809 CB MET A 55 -10.608 -2.034 -2.543 1.00 0.00 C ATOM 810 CG MET A 55 -9.829 -0.730 -2.363 1.00 0.00 C ATOM 811 SD MET A 55 -8.783 -0.839 -0.920 1.00 0.00 S ATOM 812 CE MET A 55 -10.010 -0.674 0.366 1.00 0.00 C ATOM 0 H MET A 55 -12.135 -4.291 -1.144 1.00 0.00 H new ATOM 0 HA MET A 55 -10.923 -2.533 -0.466 1.00 0.00 H new ATOM 0 HB2 MET A 55 -9.912 -2.864 -2.663 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.203 -1.983 -3.455 1.00 0.00 H new ATOM 0 HG2 MET A 55 -9.223 -0.533 -3.248 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.521 0.106 -2.259 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.520 -0.419 1.306 1.00 0.00 H new ATOM 0 HE2 MET A 55 -10.714 0.114 0.098 1.00 0.00 H new ATOM 0 HE3 MET A 55 -10.546 -1.616 0.480 1.00 0.00 H new ATOM 820 N ASP A 56 -12.709 -0.899 0.220 1.00 0.00 N ATOM 821 CA ASP A 56 -13.496 0.245 0.648 1.00 0.00 C ATOM 822 C ASP A 56 -12.686 1.068 1.653 1.00 0.00 C ATOM 823 O ASP A 56 -11.457 1.074 1.608 1.00 0.00 O ATOM 824 CB ASP A 56 -14.788 -0.201 1.334 1.00 0.00 C ATOM 825 CG ASP A 56 -15.982 0.735 1.135 1.00 0.00 C ATOM 826 OD1 ASP A 56 -15.856 1.813 0.534 1.00 0.00 O ATOM 827 OD2 ASP A 56 -17.095 0.312 1.632 1.00 0.00 O ATOM 0 H ASP A 56 -12.472 -1.556 0.964 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.742 0.835 -0.235 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.056 -1.191 0.963 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.598 -0.301 2.403 1.00 0.00 H new ATOM 832 N SER A 57 -13.409 1.743 2.535 1.00 0.00 N ATOM 833 CA SER A 57 -12.772 2.567 3.548 1.00 0.00 C ATOM 834 C SER A 57 -12.532 1.745 4.816 1.00 0.00 C ATOM 835 O SER A 57 -12.505 2.290 5.918 1.00 0.00 O ATOM 836 CB SER A 57 -13.622 3.799 3.868 1.00 0.00 C ATOM 837 OG SER A 57 -12.944 5.011 3.549 1.00 0.00 O ATOM 0 H SER A 57 -14.428 1.736 2.569 1.00 0.00 H new ATOM 0 HA SER A 57 -11.814 2.910 3.158 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.557 3.749 3.311 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.881 3.796 4.927 1.00 0.00 H new ATOM 0 HG SER A 57 -13.519 5.774 3.766 1.00 0.00 H new ATOM 842 N SER A 58 -12.364 0.446 4.618 1.00 0.00 N ATOM 843 CA SER A 58 -12.125 -0.456 5.731 1.00 0.00 C ATOM 844 C SER A 58 -10.622 -0.667 5.923 1.00 0.00 C ATOM 845 O SER A 58 -10.142 -0.746 7.053 1.00 0.00 O ATOM 846 CB SER A 58 -12.825 -1.800 5.511 1.00 0.00 C ATOM 847 OG SER A 58 -13.876 -1.702 4.554 1.00 0.00 O ATOM 0 H SER A 58 -12.389 -0.003 3.703 1.00 0.00 H new ATOM 0 HA SER A 58 -12.539 -0.003 6.632 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.096 -2.538 5.176 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.229 -2.158 6.458 1.00 0.00 H new ATOM 0 HG SER A 58 -14.491 -2.457 4.665 1.00 0.00 H new ATOM 852 N GLY A 59 -9.921 -0.751 4.802 1.00 0.00 N ATOM 853 CA GLY A 59 -8.482 -0.949 4.832 1.00 0.00 C ATOM 854 C GLY A 59 -7.742 0.355 4.531 1.00 0.00 C ATOM 855 O GLY A 59 -6.527 0.438 4.707 1.00 0.00 O ATOM 0 H GLY A 59 -10.323 -0.686 3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.183 -1.323 5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.201 -1.708 4.102 1.00 0.00 H new ATOM 859 N LEU A 60 -8.504 1.341 4.084 1.00 0.00 N ATOM 860 CA LEU A 60 -7.936 2.638 3.757 1.00 0.00 C ATOM 861 C LEU A 60 -7.060 3.113 4.918 1.00 0.00 C ATOM 862 O LEU A 60 -5.885 3.423 4.727 1.00 0.00 O ATOM 863 CB LEU A 60 -9.039 3.625 3.373 1.00 0.00 C ATOM 864 CG LEU A 60 -8.669 4.667 2.315 1.00 0.00 C ATOM 865 CD1 LEU A 60 -9.203 4.264 0.939 1.00 0.00 C ATOM 866 CD2 LEU A 60 -9.145 6.061 2.728 1.00 0.00 C ATOM 0 H LEU A 60 -9.511 1.268 3.940 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.291 2.562 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.897 3.058 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.360 4.149 4.273 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.582 4.707 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.926 5.021 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.775 3.304 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.289 4.179 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.869 6.782 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.228 6.055 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.677 6.340 3.672 1.00 0.00 H new ATOM 877 N GLY A 61 -7.666 3.155 6.096 1.00 0.00 N ATOM 878 CA GLY A 61 -6.956 3.587 7.287 1.00 0.00 C ATOM 879 C GLY A 61 -5.744 2.695 7.557 1.00 0.00 C ATOM 880 O GLY A 61 -4.737 3.154 8.095 1.00 0.00 O ATOM 0 H GLY A 61 -8.641 2.897 6.250 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.631 4.621 7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.628 3.562 8.145 1.00 0.00 H new ATOM 884 N VAL A 62 -5.880 1.434 7.172 1.00 0.00 N ATOM 885 CA VAL A 62 -4.808 0.472 7.366 1.00 0.00 C ATOM 886 C VAL A 62 -3.633 0.834 6.455 1.00 0.00 C ATOM 887 O VAL A 62 -2.500 0.423 6.704 1.00 0.00 O ATOM 888 CB VAL A 62 -5.329 -0.947 7.134 1.00 0.00 C ATOM 889 CG1 VAL A 62 -4.647 -1.591 5.926 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.152 -1.807 8.387 1.00 0.00 C ATOM 0 H VAL A 62 -6.716 1.056 6.727 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.446 0.506 8.393 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.396 -0.882 6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.036 -2.599 5.783 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.847 -0.996 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.572 -1.638 6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.530 -2.811 8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.094 -1.861 8.645 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.705 -1.363 9.214 1.00 0.00 H new ATOM 900 N ILE A 63 -3.943 1.598 5.418 1.00 0.00 N ATOM 901 CA ILE A 63 -2.927 2.021 4.469 1.00 0.00 C ATOM 902 C ILE A 63 -2.543 3.474 4.752 1.00 0.00 C ATOM 903 O ILE A 63 -1.374 3.843 4.642 1.00 0.00 O ATOM 904 CB ILE A 63 -3.400 1.778 3.034 1.00 0.00 C ATOM 905 CG1 ILE A 63 -3.237 0.308 2.645 1.00 0.00 C ATOM 906 CG2 ILE A 63 -2.688 2.714 2.056 1.00 0.00 C ATOM 907 CD1 ILE A 63 -4.598 -0.375 2.493 1.00 0.00 C ATOM 0 H ILE A 63 -4.884 1.935 5.214 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.023 1.424 4.588 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.464 2.008 2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.683 0.235 1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.650 -0.209 3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.042 2.520 1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.900 3.749 2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.613 2.540 2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.452 -1.419 2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.139 -0.322 3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.173 0.129 1.717 1.00 0.00 H new ATOM 918 N LEU A 64 -3.548 4.259 5.111 1.00 0.00 N ATOM 919 CA LEU A 64 -3.329 5.664 5.410 1.00 0.00 C ATOM 920 C LEU A 64 -2.598 5.788 6.749 1.00 0.00 C ATOM 921 O LEU A 64 -1.741 6.654 6.914 1.00 0.00 O ATOM 922 CB LEU A 64 -4.649 6.436 5.357 1.00 0.00 C ATOM 923 CG LEU A 64 -4.539 7.938 5.088 1.00 0.00 C ATOM 924 CD1 LEU A 64 -5.668 8.415 4.172 1.00 0.00 C ATOM 925 CD2 LEU A 64 -4.492 8.727 6.398 1.00 0.00 C ATOM 0 H LEU A 64 -4.516 3.949 5.202 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.690 6.119 4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.275 5.993 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.168 6.294 6.305 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.600 8.124 4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.566 9.486 3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.614 7.885 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.629 8.214 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.414 9.792 6.179 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.402 8.540 6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.627 8.412 6.981 1.00 0.00 H new ATOM 936 N GLY A 65 -2.965 4.910 7.671 1.00 0.00 N ATOM 937 CA GLY A 65 -2.356 4.911 8.990 1.00 0.00 C ATOM 938 C GLY A 65 -0.896 4.456 8.920 1.00 0.00 C ATOM 939 O GLY A 65 -0.150 4.601 9.886 1.00 0.00 O ATOM 0 H GLY A 65 -3.677 4.193 7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.409 5.912 9.418 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.915 4.251 9.653 1.00 0.00 H new ATOM 943 N ARG A 66 -0.533 3.916 7.765 1.00 0.00 N ATOM 944 CA ARG A 66 0.824 3.439 7.556 1.00 0.00 C ATOM 945 C ARG A 66 1.659 4.509 6.852 1.00 0.00 C ATOM 946 O ARG A 66 2.817 4.730 7.204 1.00 0.00 O ATOM 947 CB ARG A 66 0.834 2.160 6.718 1.00 0.00 C ATOM 948 CG ARG A 66 1.380 0.980 7.525 1.00 0.00 C ATOM 949 CD ARG A 66 0.242 0.097 8.043 1.00 0.00 C ATOM 950 NE ARG A 66 0.462 -0.224 9.471 1.00 0.00 N ATOM 951 CZ ARG A 66 0.187 0.619 10.488 1.00 0.00 C ATOM 952 NH1 ARG A 66 -0.323 1.846 10.242 1.00 0.00 N ATOM 953 NH2 ARG A 66 0.422 0.228 11.726 1.00 0.00 N ATOM 0 H ARG A 66 -1.155 3.798 6.965 1.00 0.00 H new ATOM 0 HA ARG A 66 1.255 3.222 8.534 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.177 1.936 6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.444 2.309 5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.050 0.388 6.902 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.969 1.350 8.364 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.712 0.609 7.919 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.189 -0.822 7.459 1.00 0.00 H new ATOM 0 HE ARG A 66 0.846 -1.141 9.701 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.503 2.141 9.282 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.528 2.478 11.016 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.806 -0.700 11.903 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.219 0.854 12.506 1.00 0.00 H new ATOM 963 N TYR A 67 1.040 5.146 5.869 1.00 0.00 N ATOM 964 CA TYR A 67 1.713 6.188 5.111 1.00 0.00 C ATOM 965 C TYR A 67 2.468 7.141 6.040 1.00 0.00 C ATOM 966 O TYR A 67 3.601 7.526 5.752 1.00 0.00 O ATOM 967 CB TYR A 67 0.609 6.966 4.392 1.00 0.00 C ATOM 968 CG TYR A 67 0.999 7.449 2.993 1.00 0.00 C ATOM 969 CD1 TYR A 67 1.671 8.645 2.840 1.00 0.00 C ATOM 970 CD2 TYR A 67 0.676 6.691 1.886 1.00 0.00 C ATOM 971 CE1 TYR A 67 2.037 9.100 1.523 1.00 0.00 C ATOM 972 CE2 TYR A 67 1.044 7.147 0.570 1.00 0.00 C ATOM 973 CZ TYR A 67 1.706 8.328 0.453 1.00 0.00 C ATOM 974 OH TYR A 67 2.052 8.759 -0.789 1.00 0.00 O ATOM 0 H TYR A 67 0.080 4.961 5.580 1.00 0.00 H new ATOM 0 HA TYR A 67 2.437 5.754 4.421 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.275 6.334 4.314 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.332 7.828 4.999 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.922 9.239 3.706 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.148 5.757 2.006 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.563 10.034 1.388 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.799 6.563 -0.305 1.00 0.00 H new ATOM 0 HH TYR A 67 2.763 8.188 -1.147 1.00 0.00 H new ATOM 983 N LYS A 68 1.812 7.492 7.135 1.00 0.00 N ATOM 984 CA LYS A 68 2.408 8.391 8.109 1.00 0.00 C ATOM 985 C LYS A 68 3.457 7.632 8.923 1.00 0.00 C ATOM 986 O LYS A 68 4.408 8.228 9.428 1.00 0.00 O ATOM 987 CB LYS A 68 1.324 9.051 8.964 1.00 0.00 C ATOM 988 CG LYS A 68 0.088 9.380 8.123 1.00 0.00 C ATOM 989 CD LYS A 68 -0.194 10.884 8.131 1.00 0.00 C ATOM 990 CE LYS A 68 -0.398 11.396 9.557 1.00 0.00 C ATOM 991 NZ LYS A 68 -1.841 11.487 9.874 1.00 0.00 N ATOM 0 H LYS A 68 0.873 7.170 7.370 1.00 0.00 H new ATOM 0 HA LYS A 68 2.925 9.208 7.606 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.046 8.386 9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.716 9.963 9.414 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.239 9.040 7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.776 8.842 8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.636 11.416 7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.082 11.094 7.535 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.094 10.728 10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.067 12.375 9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.962 11.836 10.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.301 12.143 9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.275 10.546 9.788 1.00 0.00 H new ATOM 1000 N GLN A 69 3.249 6.328 9.027 1.00 0.00 N ATOM 1001 CA GLN A 69 4.164 5.481 9.773 1.00 0.00 C ATOM 1002 C GLN A 69 5.450 5.258 8.974 1.00 0.00 C ATOM 1003 O GLN A 69 6.548 5.350 9.521 1.00 0.00 O ATOM 1004 CB GLN A 69 3.506 4.148 10.135 1.00 0.00 C ATOM 1005 CG GLN A 69 3.562 3.901 11.643 1.00 0.00 C ATOM 1006 CD GLN A 69 2.283 3.221 12.136 1.00 0.00 C ATOM 1007 OE1 GLN A 69 1.222 3.332 11.543 1.00 0.00 O ATOM 1008 NE2 GLN A 69 2.441 2.514 13.251 1.00 0.00 N ATOM 0 H GLN A 69 2.460 5.837 8.607 1.00 0.00 H new ATOM 0 HA GLN A 69 4.420 5.987 10.704 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.468 4.148 9.801 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.009 3.336 9.611 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.424 3.278 11.881 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.699 4.848 12.165 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.357 2.463 13.697 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.646 2.023 13.660 1.00 0.00 H new ATOM 1090 N GLY A 75 11.167 6.176 5.603 1.00 0.00 N ATOM 1091 CA GLY A 75 10.997 5.710 4.238 1.00 0.00 C ATOM 1092 C GLY A 75 9.752 6.327 3.598 1.00 0.00 C ATOM 1093 O GLY A 75 9.450 7.498 3.821 1.00 0.00 O ATOM 0 HA2 GLY A 75 11.878 5.967 3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.914 4.623 4.229 1.00 0.00 H new ATOM 1097 N GLU A 76 9.061 5.511 2.814 1.00 0.00 N ATOM 1098 CA GLU A 76 7.855 5.962 2.141 1.00 0.00 C ATOM 1099 C GLU A 76 6.980 4.766 1.763 1.00 0.00 C ATOM 1100 O GLU A 76 7.469 3.642 1.656 1.00 0.00 O ATOM 1101 CB GLU A 76 8.198 6.802 0.909 1.00 0.00 C ATOM 1102 CG GLU A 76 9.702 7.071 0.829 1.00 0.00 C ATOM 1103 CD GLU A 76 10.061 8.388 1.520 1.00 0.00 C ATOM 1104 OE1 GLU A 76 9.208 9.280 1.634 1.00 0.00 O ATOM 1105 OE2 GLU A 76 11.276 8.467 1.947 1.00 0.00 O ATOM 0 H GLU A 76 9.314 4.540 2.630 1.00 0.00 H new ATOM 0 HA GLU A 76 7.293 6.595 2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.869 6.284 0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.658 7.748 0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.247 6.251 1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.014 7.107 -0.215 1.00 0.00 H new ATOM 1111 N MET A 77 5.699 5.048 1.572 1.00 0.00 N ATOM 1112 CA MET A 77 4.751 4.010 1.208 1.00 0.00 C ATOM 1113 C MET A 77 4.087 4.319 -0.136 1.00 0.00 C ATOM 1114 O MET A 77 3.649 5.444 -0.371 1.00 0.00 O ATOM 1115 CB MET A 77 3.678 3.895 2.293 1.00 0.00 C ATOM 1116 CG MET A 77 2.414 4.661 1.897 1.00 0.00 C ATOM 1117 SD MET A 77 1.436 3.686 0.767 1.00 0.00 S ATOM 1118 CE MET A 77 0.733 2.505 1.907 1.00 0.00 C ATOM 0 H MET A 77 5.296 5.981 1.663 1.00 0.00 H new ATOM 0 HA MET A 77 5.291 3.068 1.117 1.00 0.00 H new ATOM 0 HB2 MET A 77 3.435 2.846 2.459 1.00 0.00 H new ATOM 0 HB3 MET A 77 4.064 4.285 3.234 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.829 4.898 2.786 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.684 5.609 1.432 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.005 1.893 1.388 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.523 1.865 2.301 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.252 3.035 2.729 1.00 0.00 H new ATOM 1126 N VAL A 78 4.033 3.301 -0.982 1.00 0.00 N ATOM 1127 CA VAL A 78 3.430 3.451 -2.295 1.00 0.00 C ATOM 1128 C VAL A 78 2.376 2.360 -2.494 1.00 0.00 C ATOM 1129 O VAL A 78 2.614 1.196 -2.177 1.00 0.00 O ATOM 1130 CB VAL A 78 4.515 3.437 -3.374 1.00 0.00 C ATOM 1131 CG1 VAL A 78 3.897 3.380 -4.773 1.00 0.00 C ATOM 1132 CG2 VAL A 78 5.443 4.646 -3.233 1.00 0.00 C ATOM 0 H VAL A 78 4.397 2.369 -0.784 1.00 0.00 H new ATOM 0 HA VAL A 78 2.923 4.413 -2.375 1.00 0.00 H new ATOM 0 HB VAL A 78 5.114 2.537 -3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.690 3.371 -5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.297 2.475 -4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.263 4.253 -4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.205 4.612 -4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.863 5.563 -3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.923 4.624 -2.254 1.00 0.00 H new ATOM 1142 N VAL A 79 1.233 2.775 -3.021 1.00 0.00 N ATOM 1143 CA VAL A 79 0.141 1.849 -3.267 1.00 0.00 C ATOM 1144 C VAL A 79 -0.408 2.077 -4.675 1.00 0.00 C ATOM 1145 O VAL A 79 -0.729 3.205 -5.046 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.924 1.996 -2.179 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.330 3.461 -2.002 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -2.143 1.122 -2.482 1.00 0.00 C ATOM 0 H VAL A 79 1.040 3.741 -3.285 1.00 0.00 H new ATOM 0 HA VAL A 79 0.495 0.819 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.491 1.653 -1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.088 3.537 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.457 4.049 -1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.734 3.842 -2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.885 1.246 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.576 1.420 -3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.838 0.077 -2.533 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.500 0.987 -5.424 1.00 0.00 N ATOM 1159 CA CYS A 80 -1.005 1.054 -6.785 1.00 0.00 C ATOM 1160 C CYS A 80 -2.065 -0.036 -6.957 1.00 0.00 C ATOM 1161 O CYS A 80 -2.480 -0.664 -5.985 1.00 0.00 O ATOM 1162 CB CYS A 80 0.120 0.924 -7.812 1.00 0.00 C ATOM 1163 SG CYS A 80 0.901 -0.726 -7.681 1.00 0.00 S ATOM 0 H CYS A 80 -0.233 0.053 -5.114 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.457 2.030 -6.961 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.276 1.069 -8.817 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.865 1.702 -7.647 1.00 0.00 H new ATOM 0 HG CYS A 80 1.010 -1.056 -6.428 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.474 -0.226 -8.204 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.478 -1.230 -8.517 1.00 0.00 C ATOM 1170 C ALA A 81 -4.850 -0.731 -8.060 1.00 0.00 C ATOM 1171 O ALA A 81 -5.714 -1.527 -7.694 1.00 0.00 O ATOM 1172 CB ALA A 81 -3.093 -2.558 -7.863 1.00 0.00 C ATOM 0 H ALA A 81 -2.129 0.298 -9.008 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.530 -1.400 -9.592 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.846 -3.311 -8.098 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.124 -2.883 -8.242 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.034 -2.428 -6.782 1.00 0.00 H new ATOM 1178 N ILE A 82 -5.009 0.584 -8.096 1.00 0.00 N ATOM 1179 CA ILE A 82 -6.262 1.198 -7.690 1.00 0.00 C ATOM 1180 C ILE A 82 -7.395 0.663 -8.568 1.00 0.00 C ATOM 1181 O ILE A 82 -7.362 -0.490 -8.995 1.00 0.00 O ATOM 1182 CB ILE A 82 -6.141 2.723 -7.705 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -7.104 3.359 -6.701 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -6.338 3.276 -9.117 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.612 3.158 -5.265 1.00 0.00 C ATOM 0 H ILE A 82 -4.291 1.241 -8.400 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.501 0.930 -6.661 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.130 2.988 -7.395 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.201 4.424 -6.910 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.095 2.920 -6.814 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.247 4.362 -9.098 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.580 2.859 -9.780 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.328 3.001 -9.481 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.315 3.620 -4.572 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.539 2.092 -5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.631 3.619 -5.148 1.00 0.00 H new ATOM 1196 N SER A 83 -8.370 1.527 -8.813 1.00 0.00 N ATOM 1197 CA SER A 83 -9.510 1.155 -9.633 1.00 0.00 C ATOM 1198 C SER A 83 -10.472 2.339 -9.758 1.00 0.00 C ATOM 1199 O SER A 83 -10.372 3.307 -9.006 1.00 0.00 O ATOM 1200 CB SER A 83 -10.236 -0.059 -9.049 1.00 0.00 C ATOM 1201 OG SER A 83 -11.488 0.295 -8.468 1.00 0.00 O ATOM 0 H SER A 83 -8.394 2.483 -8.458 1.00 0.00 H new ATOM 0 HA SER A 83 -9.145 0.884 -10.624 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.397 -0.797 -9.835 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.606 -0.529 -8.294 1.00 0.00 H new ATOM 0 HG SER A 83 -11.990 -0.518 -8.253 1.00 0.00 H new ATOM 1206 N PRO A 84 -11.407 2.218 -10.738 1.00 0.00 N ATOM 1207 CA PRO A 84 -12.386 3.266 -10.971 1.00 0.00 C ATOM 1208 C PRO A 84 -13.469 3.256 -9.889 1.00 0.00 C ATOM 1209 O PRO A 84 -14.300 4.160 -9.831 1.00 0.00 O ATOM 1210 CB PRO A 84 -12.934 2.990 -12.362 1.00 0.00 C ATOM 1211 CG PRO A 84 -12.586 1.543 -12.667 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.557 1.085 -11.646 1.00 0.00 C ATOM 0 HA PRO A 84 -11.953 4.265 -10.918 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.012 3.148 -12.396 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.490 3.662 -13.097 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.477 0.918 -12.617 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.188 1.451 -13.678 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.894 0.194 -11.116 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.610 0.832 -12.124 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.423 2.224 -9.060 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.388 2.083 -7.984 1.00 0.00 C ATOM 1219 C ALA A 85 -13.647 1.845 -6.667 1.00 0.00 C ATOM 1220 O ALA A 85 -14.164 1.180 -5.771 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.364 0.954 -8.317 1.00 0.00 C ATOM 0 H ALA A 85 -12.731 1.476 -9.112 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.973 2.996 -7.872 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -16.088 0.849 -7.509 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.887 1.187 -9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.814 0.020 -8.435 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.446 2.400 -6.591 1.00 0.00 N ATOM 1228 CA VAL A 86 -11.628 2.255 -5.399 1.00 0.00 C ATOM 1229 C VAL A 86 -10.886 3.567 -5.132 1.00 0.00 C ATOM 1230 O VAL A 86 -10.711 3.962 -3.981 1.00 0.00 O ATOM 1231 CB VAL A 86 -10.690 1.057 -5.550 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.354 1.314 -4.849 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -11.346 -0.223 -5.028 1.00 0.00 C ATOM 0 H VAL A 86 -12.020 2.951 -7.336 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.253 2.053 -4.529 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.490 0.921 -6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.706 0.446 -4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.875 2.190 -5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.528 1.489 -3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.657 -1.059 -5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.591 -0.102 -3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.258 -0.420 -5.592 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.471 4.204 -6.217 1.00 0.00 N ATOM 1244 CA LYS A 87 -9.751 5.463 -6.114 1.00 0.00 C ATOM 1245 C LYS A 87 -10.712 6.558 -5.646 1.00 0.00 C ATOM 1246 O LYS A 87 -10.280 7.639 -5.247 1.00 0.00 O ATOM 1247 CB LYS A 87 -9.048 5.786 -7.434 1.00 0.00 C ATOM 1248 CG LYS A 87 -9.945 6.628 -8.343 1.00 0.00 C ATOM 1249 CD LYS A 87 -10.126 5.960 -9.707 1.00 0.00 C ATOM 1250 CE LYS A 87 -10.224 7.005 -10.820 1.00 0.00 C ATOM 1251 NZ LYS A 87 -11.597 7.046 -11.373 1.00 0.00 N ATOM 0 H LYS A 87 -10.619 3.873 -7.170 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.961 5.391 -5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.121 6.323 -7.234 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.777 4.860 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.917 6.768 -7.871 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.509 7.618 -8.474 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.287 5.292 -9.903 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.027 5.346 -9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.953 7.986 -10.431 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.513 6.769 -11.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.698 7.877 -11.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.775 6.182 -11.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.283 7.107 -10.594 1.00 0.00 H new ATOM 1260 N ARG A 88 -11.997 6.240 -5.709 1.00 0.00 N ATOM 1261 CA ARG A 88 -13.022 7.184 -5.296 1.00 0.00 C ATOM 1262 C ARG A 88 -12.979 7.383 -3.780 1.00 0.00 C ATOM 1263 O ARG A 88 -13.384 8.430 -3.276 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.415 6.696 -5.700 1.00 0.00 C ATOM 1265 CG ARG A 88 -14.975 5.717 -4.666 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.322 4.340 -4.805 1.00 0.00 C ATOM 1267 NE ARG A 88 -15.346 3.280 -4.669 1.00 0.00 N ATOM 1268 CZ ARG A 88 -16.106 3.098 -3.569 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -15.965 3.906 -2.497 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -16.991 2.118 -3.557 1.00 0.00 N ATOM 0 H ARG A 88 -12.352 5.343 -6.040 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.822 8.131 -5.797 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.087 7.548 -5.801 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.366 6.212 -6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.803 6.105 -3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.054 5.626 -4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.828 4.258 -5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.553 4.214 -4.043 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.486 2.647 -5.457 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.280 4.661 -2.514 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.544 3.761 -1.670 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.092 1.512 -4.371 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.573 1.967 -2.733 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.486 6.363 -3.094 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.386 6.413 -1.646 1.00 0.00 C ATOM 1282 C LEU A 89 -11.475 7.574 -1.242 1.00 0.00 C ATOM 1283 O LEU A 89 -11.814 8.353 -0.351 1.00 0.00 O ATOM 1284 CB LEU A 89 -11.937 5.058 -1.092 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.055 4.078 -0.730 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -12.850 2.732 -1.425 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -13.180 3.927 0.788 1.00 0.00 C ATOM 0 H LEU A 89 -12.151 5.496 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.364 6.604 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.289 4.583 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.333 5.234 -0.202 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.999 4.486 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.658 2.054 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.849 2.877 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.897 2.304 -1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.981 3.225 1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.241 3.552 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.407 4.896 1.233 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.336 7.654 -1.915 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.375 8.707 -1.637 1.00 0.00 C ATOM 1300 C PHE A 90 -9.724 9.984 -2.405 1.00 0.00 C ATOM 1301 O PHE A 90 -9.317 11.077 -2.015 1.00 0.00 O ATOM 1302 CB PHE A 90 -8.009 8.201 -2.107 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.678 6.782 -1.642 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -8.082 5.712 -2.379 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -6.980 6.588 -0.490 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -7.775 4.395 -1.948 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -6.673 5.271 -0.059 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.076 4.202 -0.797 1.00 0.00 C ATOM 0 H PHE A 90 -10.058 7.006 -2.652 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.378 8.942 -0.573 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.976 8.232 -3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.237 8.880 -1.745 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.637 5.865 -3.293 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.660 7.436 0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.096 3.546 -2.534 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.119 5.118 0.855 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.841 3.200 -0.469 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.474 9.803 -3.482 1.00 0.00 N ATOM 1318 CA ASP A 91 -10.882 10.927 -4.307 1.00 0.00 C ATOM 1319 C ASP A 91 -11.974 11.716 -3.582 1.00 0.00 C ATOM 1320 O ASP A 91 -12.046 12.938 -3.704 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.452 10.450 -5.644 1.00 0.00 C ATOM 1322 CG ASP A 91 -10.782 11.046 -6.883 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -9.547 11.128 -6.963 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -11.592 11.442 -7.805 1.00 0.00 O ATOM 0 H ASP A 91 -10.810 8.895 -3.802 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.005 11.548 -4.490 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.368 9.364 -5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.515 10.689 -5.674 1.00 0.00 H new ATOM 1329 N MET A 92 -12.795 10.987 -2.843 1.00 0.00 N ATOM 1330 CA MET A 92 -13.879 11.604 -2.098 1.00 0.00 C ATOM 1331 C MET A 92 -13.355 12.296 -0.838 1.00 0.00 C ATOM 1332 O MET A 92 -13.784 13.401 -0.509 1.00 0.00 O ATOM 1333 CB MET A 92 -14.902 10.536 -1.706 1.00 0.00 C ATOM 1334 CG MET A 92 -15.879 10.264 -2.851 1.00 0.00 C ATOM 1335 SD MET A 92 -17.076 9.036 -2.355 1.00 0.00 S ATOM 1336 CE MET A 92 -18.537 10.056 -2.242 1.00 0.00 C ATOM 0 H MET A 92 -12.732 9.974 -2.744 1.00 0.00 H new ATOM 0 HA MET A 92 -14.349 12.355 -2.733 1.00 0.00 H new ATOM 0 HB2 MET A 92 -14.386 9.614 -1.438 1.00 0.00 H new ATOM 0 HB3 MET A 92 -15.453 10.862 -0.823 1.00 0.00 H new ATOM 0 HG2 MET A 92 -16.387 11.186 -3.133 1.00 0.00 H new ATOM 0 HG3 MET A 92 -15.335 9.919 -3.730 1.00 0.00 H new ATOM 0 HE1 MET A 92 -19.386 9.443 -1.941 1.00 0.00 H new ATOM 0 HE2 MET A 92 -18.376 10.841 -1.504 1.00 0.00 H new ATOM 0 HE3 MET A 92 -18.742 10.507 -3.213 1.00 0.00 H new ATOM 1344 N SER A 93 -12.436 11.618 -0.169 1.00 0.00 N ATOM 1345 CA SER A 93 -11.848 12.154 1.048 1.00 0.00 C ATOM 1346 C SER A 93 -11.009 13.392 0.722 1.00 0.00 C ATOM 1347 O SER A 93 -11.157 14.432 1.362 1.00 0.00 O ATOM 1348 CB SER A 93 -10.990 11.103 1.755 1.00 0.00 C ATOM 1349 OG SER A 93 -10.988 11.279 3.169 1.00 0.00 O ATOM 0 H SER A 93 -12.083 10.702 -0.446 1.00 0.00 H new ATOM 0 HA SER A 93 -12.656 12.437 1.722 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.364 10.108 1.514 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.968 11.158 1.381 1.00 0.00 H new ATOM 0 HG SER A 93 -10.431 10.588 3.584 1.00 0.00 H new ATOM 1354 N GLY A 94 -10.147 13.238 -0.272 1.00 0.00 N ATOM 1355 CA GLY A 94 -9.285 14.331 -0.691 1.00 0.00 C ATOM 1356 C GLY A 94 -7.888 14.188 -0.085 1.00 0.00 C ATOM 1357 O GLY A 94 -6.985 14.956 -0.413 1.00 0.00 O ATOM 0 H GLY A 94 -10.027 12.373 -0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.214 14.347 -1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.722 15.282 -0.386 1.00 0.00 H new ATOM 1361 N LEU A 95 -7.753 13.200 0.787 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.481 12.948 1.441 1.00 0.00 C ATOM 1363 C LEU A 95 -5.634 12.024 0.562 1.00 0.00 C ATOM 1364 O LEU A 95 -4.588 11.540 0.991 1.00 0.00 O ATOM 1365 CB LEU A 95 -6.703 12.414 2.858 1.00 0.00 C ATOM 1366 CG LEU A 95 -5.584 12.694 3.864 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -4.954 14.066 3.614 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -6.088 12.547 5.300 1.00 0.00 C ATOM 0 H LEU A 95 -8.504 12.564 1.056 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.923 13.877 1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.628 12.842 3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.850 11.336 2.799 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.801 11.949 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.162 14.241 4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.535 14.096 2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.715 14.840 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.273 12.751 5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.899 13.253 5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.451 11.531 5.456 1.00 0.00 H new ATOM 1379 N PHE A 96 -6.120 11.807 -0.651 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.421 10.950 -1.594 1.00 0.00 C ATOM 1381 C PHE A 96 -3.938 11.318 -1.676 1.00 0.00 C ATOM 1382 O PHE A 96 -3.089 10.450 -1.876 1.00 0.00 O ATOM 1383 CB PHE A 96 -6.066 11.173 -2.963 1.00 0.00 C ATOM 1384 CG PHE A 96 -6.362 9.882 -3.730 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.689 8.741 -3.424 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -7.297 9.877 -4.717 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -5.964 7.542 -4.136 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.572 8.678 -5.428 1.00 0.00 C ATOM 1389 CZ PHE A 96 -6.899 7.537 -5.122 1.00 0.00 C ATOM 0 H PHE A 96 -6.989 12.209 -1.003 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.492 9.910 -1.275 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.996 11.725 -2.829 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.408 11.799 -3.566 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.946 8.746 -2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.830 10.784 -4.960 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.430 6.635 -3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.315 8.673 -6.211 1.00 0.00 H new ATOM 0 HZ PHE A 96 -7.108 6.626 -5.663 1.00 0.00 H new ATOM 1398 N LYS A 97 -3.672 12.605 -1.515 1.00 0.00 N ATOM 1399 CA LYS A 97 -2.306 13.099 -1.568 1.00 0.00 C ATOM 1400 C LYS A 97 -1.496 12.468 -0.433 1.00 0.00 C ATOM 1401 O LYS A 97 -0.271 12.395 -0.507 1.00 0.00 O ATOM 1402 CB LYS A 97 -2.288 14.629 -1.559 1.00 0.00 C ATOM 1403 CG LYS A 97 -3.469 15.196 -2.349 1.00 0.00 C ATOM 1404 CD LYS A 97 -3.017 16.323 -3.279 1.00 0.00 C ATOM 1405 CE LYS A 97 -4.056 16.583 -4.371 1.00 0.00 C ATOM 1406 NZ LYS A 97 -4.493 17.998 -4.344 1.00 0.00 N ATOM 0 H LYS A 97 -4.379 13.321 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.830 12.803 -2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.326 14.991 -0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.353 14.988 -1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.935 14.402 -2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.226 15.570 -1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.856 17.233 -2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.062 16.062 -3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.634 16.345 -5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.915 15.928 -4.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.198 18.158 -5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.915 18.213 -3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.673 18.618 -4.503 1.00 0.00 H new ATOM 1415 N ILE A 98 -2.214 12.029 0.590 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.578 11.407 1.738 1.00 0.00 C ATOM 1417 C ILE A 98 -1.356 9.920 1.450 1.00 0.00 C ATOM 1418 O ILE A 98 -0.673 9.233 2.208 1.00 0.00 O ATOM 1419 CB ILE A 98 -2.388 11.672 3.009 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -1.510 12.290 4.099 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -3.087 10.398 3.489 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -1.139 11.251 5.159 1.00 0.00 C ATOM 0 H ILE A 98 -3.230 12.092 0.648 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.597 11.848 1.915 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.167 12.397 2.773 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.604 12.699 3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.037 13.121 4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -3.656 10.614 4.394 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.763 10.039 2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.341 9.632 3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.515 11.716 5.922 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.047 10.862 5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.591 10.433 4.691 1.00 0.00 H new ATOM 1433 N ILE A 99 -1.945 9.469 0.352 1.00 0.00 N ATOM 1434 CA ILE A 99 -1.820 8.077 -0.045 1.00 0.00 C ATOM 1435 C ILE A 99 -1.085 7.997 -1.385 1.00 0.00 C ATOM 1436 O ILE A 99 -0.639 6.925 -1.790 1.00 0.00 O ATOM 1437 CB ILE A 99 -3.191 7.397 -0.055 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -3.811 7.396 1.344 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -3.100 5.987 -0.643 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -2.931 6.630 2.334 1.00 0.00 C ATOM 0 H ILE A 99 -2.510 10.043 -0.275 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.222 7.527 0.681 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.854 7.972 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.943 8.422 1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.801 6.943 1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.088 5.526 -0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.731 6.043 -1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.417 5.386 -0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.395 6.645 3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.821 5.598 2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.949 7.101 2.388 1.00 0.00 H new ATOM 1451 N ARG A 100 -0.982 9.148 -2.035 1.00 0.00 N ATOM 1452 CA ARG A 100 -0.309 9.222 -3.321 1.00 0.00 C ATOM 1453 C ARG A 100 -0.462 7.901 -4.078 1.00 0.00 C ATOM 1454 O ARG A 100 0.389 7.019 -3.975 1.00 0.00 O ATOM 1455 CB ARG A 100 1.180 9.532 -3.147 1.00 0.00 C ATOM 1456 CG ARG A 100 1.735 10.259 -4.373 1.00 0.00 C ATOM 1457 CD ARG A 100 1.715 9.352 -5.604 1.00 0.00 C ATOM 1458 NE ARG A 100 0.645 9.783 -6.533 1.00 0.00 N ATOM 1459 CZ ARG A 100 0.721 9.675 -7.877 1.00 0.00 C ATOM 1460 NH1 ARG A 100 1.818 9.150 -8.461 1.00 0.00 N ATOM 1461 NH2 ARG A 100 -0.294 10.093 -8.609 1.00 0.00 N ATOM 0 H ARG A 100 -1.353 10.035 -1.695 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.772 10.027 -3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.326 10.146 -2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.732 8.606 -2.988 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.145 11.155 -4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 100 2.756 10.587 -4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 100 2.681 9.387 -6.108 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.551 8.318 -5.301 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.202 10.186 -6.133 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.598 8.831 -7.887 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.867 9.072 -9.477 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.118 10.490 -8.158 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.254 10.019 -9.626 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.554 7.806 -4.823 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.830 6.607 -5.596 1.00 0.00 C ATOM 1473 C PHE A 101 -1.537 6.833 -7.081 1.00 0.00 C ATOM 1474 O PHE A 101 -1.214 7.947 -7.491 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.319 6.297 -5.424 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.608 4.861 -4.981 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.608 3.854 -5.896 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.864 4.593 -3.673 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.876 2.522 -5.483 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -4.132 3.260 -3.261 1.00 0.00 C ATOM 1481 CZ PHE A 101 -4.133 2.253 -4.176 1.00 0.00 C ATOM 0 H PHE A 101 -2.258 8.540 -4.908 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.201 5.787 -5.249 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.741 6.984 -4.691 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.830 6.485 -6.368 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.404 4.067 -6.935 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.864 5.393 -2.947 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.876 1.722 -6.208 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.335 3.046 -2.222 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.338 1.240 -3.864 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.659 5.759 -7.846 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.411 5.826 -9.276 1.00 0.00 C ATOM 1492 C GLU A 102 -2.249 4.778 -10.010 1.00 0.00 C ATOM 1493 O GLU A 102 -3.364 4.465 -9.592 1.00 0.00 O ATOM 1494 CB GLU A 102 0.077 5.651 -9.583 1.00 0.00 C ATOM 1495 CG GLU A 102 0.540 6.652 -10.644 1.00 0.00 C ATOM 1496 CD GLU A 102 -0.570 6.924 -11.662 1.00 0.00 C ATOM 1497 OE1 GLU A 102 -0.762 6.134 -12.596 1.00 0.00 O ATOM 1498 OE2 GLU A 102 -1.247 8.003 -11.454 1.00 0.00 O ATOM 0 H GLU A 102 -1.927 4.837 -7.502 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.708 6.813 -9.630 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.658 5.787 -8.671 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.263 4.635 -9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.835 7.585 -10.164 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.421 6.264 -11.156 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.681 4.262 -11.091 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.362 3.256 -11.886 1.00 0.00 C ATOM 1506 C GLN A 103 -1.347 2.435 -12.685 1.00 0.00 C ATOM 1507 O GLN A 103 -0.937 2.837 -13.773 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.399 3.896 -12.812 1.00 0.00 C ATOM 1509 CG GLN A 103 -4.494 4.597 -12.006 1.00 0.00 C ATOM 1510 CD GLN A 103 -5.582 5.152 -12.927 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -5.368 5.408 -14.100 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -6.760 5.324 -12.332 1.00 0.00 N ATOM 0 H GLN A 103 -0.756 4.523 -11.434 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.892 2.585 -11.210 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.910 4.614 -13.470 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.844 3.132 -13.449 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.935 3.895 -11.298 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.058 5.408 -11.422 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -6.872 5.090 -11.346 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.551 5.690 -12.862 1.00 0.00 H new ATOM 1519 N SER A 104 -0.972 1.299 -12.115 1.00 0.00 N ATOM 1520 CA SER A 104 -0.013 0.418 -12.759 1.00 0.00 C ATOM 1521 C SER A 104 1.227 1.211 -13.178 1.00 0.00 C ATOM 1522 O SER A 104 2.324 0.958 -12.684 1.00 0.00 O ATOM 1523 CB SER A 104 -0.634 -0.277 -13.973 1.00 0.00 C ATOM 1524 OG SER A 104 0.341 -0.969 -14.748 1.00 0.00 O ATOM 0 H SER A 104 -1.316 0.968 -11.213 1.00 0.00 H new ATOM 0 HA SER A 104 0.280 -0.351 -12.044 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.396 -0.980 -13.638 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.135 0.463 -14.597 1.00 0.00 H new ATOM 0 HG SER A 104 -0.095 -1.401 -15.512 1.00 0.00 H new ATOM 1529 N GLU A 105 1.010 2.154 -14.083 1.00 0.00 N ATOM 1530 CA GLU A 105 2.096 2.985 -14.573 1.00 0.00 C ATOM 1531 C GLU A 105 3.093 3.273 -13.449 1.00 0.00 C ATOM 1532 O GLU A 105 4.287 3.431 -13.698 1.00 0.00 O ATOM 1533 CB GLU A 105 1.562 4.285 -15.177 1.00 0.00 C ATOM 1534 CG GLU A 105 2.707 5.240 -15.523 1.00 0.00 C ATOM 1535 CD GLU A 105 2.462 5.924 -16.870 1.00 0.00 C ATOM 1536 OE1 GLU A 105 2.073 5.259 -17.842 1.00 0.00 O ATOM 1537 OE2 GLU A 105 2.690 7.193 -16.886 1.00 0.00 O ATOM 0 H GLU A 105 0.098 2.361 -14.490 1.00 0.00 H new ATOM 0 HA GLU A 105 2.615 2.442 -15.363 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.985 4.063 -16.075 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.883 4.766 -14.473 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.806 5.993 -14.741 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.647 4.689 -15.556 1.00 0.00 H new ATOM 1543 N GLN A 106 2.566 3.332 -12.235 1.00 0.00 N ATOM 1544 CA GLN A 106 3.394 3.597 -11.071 1.00 0.00 C ATOM 1545 C GLN A 106 4.359 2.434 -10.830 1.00 0.00 C ATOM 1546 O GLN A 106 5.240 2.520 -9.975 1.00 0.00 O ATOM 1547 CB GLN A 106 2.535 3.862 -9.834 1.00 0.00 C ATOM 1548 CG GLN A 106 3.323 3.594 -8.550 1.00 0.00 C ATOM 1549 CD GLN A 106 2.739 4.379 -7.374 1.00 0.00 C ATOM 1550 OE1 GLN A 106 3.430 5.095 -6.667 1.00 0.00 O ATOM 1551 NE2 GLN A 106 1.431 4.207 -7.204 1.00 0.00 N ATOM 0 H GLN A 106 1.575 3.201 -12.032 1.00 0.00 H new ATOM 0 HA GLN A 106 3.980 4.496 -11.264 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.188 4.895 -9.843 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.649 3.228 -9.860 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.306 2.528 -8.324 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.367 3.872 -8.695 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.911 3.593 -7.832 1.00 0.00 H new ATOM 0 HE22 GLN A 106 0.948 4.689 -6.446 1.00 0.00 H new ATOM 1558 N GLN A 107 4.161 1.374 -11.598 1.00 0.00 N ATOM 1559 CA GLN A 107 5.001 0.195 -11.479 1.00 0.00 C ATOM 1560 C GLN A 107 6.436 0.600 -11.133 1.00 0.00 C ATOM 1561 O GLN A 107 7.152 -0.146 -10.466 1.00 0.00 O ATOM 1562 CB GLN A 107 4.960 -0.640 -12.759 1.00 0.00 C ATOM 1563 CG GLN A 107 5.704 0.063 -13.897 1.00 0.00 C ATOM 1564 CD GLN A 107 6.921 -0.749 -14.341 1.00 0.00 C ATOM 1565 OE1 GLN A 107 6.815 -1.869 -14.814 1.00 0.00 O ATOM 1566 NE2 GLN A 107 8.082 -0.124 -14.163 1.00 0.00 N ATOM 0 H GLN A 107 3.430 1.307 -12.306 1.00 0.00 H new ATOM 0 HA GLN A 107 4.613 -0.424 -10.670 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.409 -1.616 -12.575 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.924 -0.815 -13.050 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.031 0.207 -14.742 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.022 1.053 -13.571 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.100 0.814 -13.762 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.954 -0.582 -14.428 1.00 0.00 H new ATOM 1573 N ALA A 108 6.814 1.779 -11.605 1.00 0.00 N ATOM 1574 CA ALA A 108 8.150 2.290 -11.354 1.00 0.00 C ATOM 1575 C ALA A 108 8.173 3.006 -10.002 1.00 0.00 C ATOM 1576 O ALA A 108 9.025 2.725 -9.161 1.00 0.00 O ATOM 1577 CB ALA A 108 8.571 3.207 -12.506 1.00 0.00 C ATOM 0 H ALA A 108 6.219 2.394 -12.159 1.00 0.00 H new ATOM 0 HA ALA A 108 8.870 1.473 -11.307 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.574 3.591 -12.318 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.567 2.644 -13.439 1.00 0.00 H new ATOM 0 HB3 ALA A 108 7.872 4.040 -12.582 1.00 0.00 H new ATOM 1583 N LEU A 109 7.226 3.918 -9.835 1.00 0.00 N ATOM 1584 CA LEU A 109 7.127 4.676 -8.600 1.00 0.00 C ATOM 1585 C LEU A 109 6.803 3.723 -7.446 1.00 0.00 C ATOM 1586 O LEU A 109 7.053 4.041 -6.285 1.00 0.00 O ATOM 1587 CB LEU A 109 6.122 5.820 -8.753 1.00 0.00 C ATOM 1588 CG LEU A 109 6.661 7.226 -8.486 1.00 0.00 C ATOM 1589 CD1 LEU A 109 5.767 8.288 -9.131 1.00 0.00 C ATOM 1590 CD2 LEU A 109 6.848 7.467 -6.986 1.00 0.00 C ATOM 0 H LEU A 109 6.521 4.149 -10.535 1.00 0.00 H new ATOM 0 HA LEU A 109 8.081 5.149 -8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.722 5.792 -9.766 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.288 5.637 -8.076 1.00 0.00 H new ATOM 0 HG LEU A 109 7.644 7.308 -8.950 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.173 9.279 -8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.730 8.127 -10.208 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.761 8.216 -8.719 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.232 8.474 -6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.890 7.358 -6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.555 6.740 -6.586 1.00 0.00 H new ATOM 1601 N LEU A 110 6.251 2.574 -7.808 1.00 0.00 N ATOM 1602 CA LEU A 110 5.891 1.574 -6.818 1.00 0.00 C ATOM 1603 C LEU A 110 7.103 1.281 -5.931 1.00 0.00 C ATOM 1604 O LEU A 110 6.970 1.156 -4.715 1.00 0.00 O ATOM 1605 CB LEU A 110 5.312 0.331 -7.498 1.00 0.00 C ATOM 1606 CG LEU A 110 4.074 -0.279 -6.839 1.00 0.00 C ATOM 1607 CD1 LEU A 110 3.827 -1.701 -7.347 1.00 0.00 C ATOM 1608 CD2 LEU A 110 4.182 -0.226 -5.313 1.00 0.00 C ATOM 0 H LEU A 110 6.045 2.314 -8.772 1.00 0.00 H new ATOM 0 HA LEU A 110 5.102 1.950 -6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.062 0.588 -8.527 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.090 -0.431 -7.540 1.00 0.00 H new ATOM 0 HG LEU A 110 3.207 0.319 -7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.941 -2.112 -6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.674 -1.680 -8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.690 -2.325 -7.115 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.289 -0.666 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.060 -0.785 -4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.274 0.811 -4.991 1.00 0.00 H new ATOM 1619 N THR A 111 8.256 1.179 -6.573 1.00 0.00 N ATOM 1620 CA THR A 111 9.490 0.904 -5.859 1.00 0.00 C ATOM 1621 C THR A 111 9.733 1.966 -4.785 1.00 0.00 C ATOM 1622 O THR A 111 10.683 1.865 -4.009 1.00 0.00 O ATOM 1623 CB THR A 111 10.621 0.808 -6.885 1.00 0.00 C ATOM 1624 OG1 THR A 111 10.990 -0.568 -6.868 1.00 0.00 O ATOM 1625 CG2 THR A 111 11.887 1.539 -6.432 1.00 0.00 C ATOM 0 H THR A 111 8.362 1.282 -7.582 1.00 0.00 H new ATOM 0 HA THR A 111 9.434 -0.045 -5.327 1.00 0.00 H new ATOM 0 HB THR A 111 10.284 1.221 -7.836 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.717 -0.720 -7.507 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.658 1.439 -7.196 1.00 0.00 H new ATOM 0 HG22 THR A 111 11.662 2.594 -6.278 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.244 1.104 -5.498 1.00 0.00 H new ATOM 1633 N LEU A 112 8.858 2.960 -4.773 1.00 0.00 N ATOM 1634 CA LEU A 112 8.965 4.041 -3.807 1.00 0.00 C ATOM 1635 C LEU A 112 9.661 5.236 -4.461 1.00 0.00 C ATOM 1636 O LEU A 112 10.287 6.045 -3.777 1.00 0.00 O ATOM 1637 CB LEU A 112 9.651 3.552 -2.530 1.00 0.00 C ATOM 1638 CG LEU A 112 9.684 4.542 -1.365 1.00 0.00 C ATOM 1639 CD1 LEU A 112 9.124 3.907 -0.090 1.00 0.00 C ATOM 1640 CD2 LEU A 112 11.094 5.098 -1.156 1.00 0.00 C ATOM 0 H LEU A 112 8.071 3.040 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 112 7.975 4.378 -3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.148 2.645 -2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.677 3.276 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 112 9.040 5.385 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.159 4.632 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.092 3.601 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.722 3.035 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.089 5.799 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.779 4.279 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.420 5.612 -2.060 1.00 0.00 H new ATOM 1651 N GLY A 113 9.528 5.311 -5.777 1.00 0.00 N ATOM 1652 CA GLY A 113 10.136 6.394 -6.530 1.00 0.00 C ATOM 1653 C GLY A 113 11.659 6.384 -6.373 1.00 0.00 C ATOM 1654 O GLY A 113 12.323 7.377 -6.664 1.00 0.00 O ATOM 0 H GLY A 113 9.008 4.639 -6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 113 9.875 6.300 -7.584 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.738 7.349 -6.187 1.00 0.00 H new ATOM 1658 N VAL A 114 12.167 5.250 -5.913 1.00 0.00 N ATOM 1659 CA VAL A 114 13.598 5.097 -5.713 1.00 0.00 C ATOM 1660 C VAL A 114 14.143 4.082 -6.719 1.00 0.00 C ATOM 1661 O VAL A 114 13.682 4.022 -7.858 1.00 0.00 O ATOM 1662 CB VAL A 114 13.886 4.714 -4.261 1.00 0.00 C ATOM 1663 CG1 VAL A 114 15.326 5.061 -3.876 1.00 0.00 C ATOM 1664 CG2 VAL A 114 12.890 5.380 -3.310 1.00 0.00 C ATOM 0 H VAL A 114 11.613 4.428 -5.673 1.00 0.00 H new ATOM 0 HA VAL A 114 14.112 6.041 -5.893 1.00 0.00 H new ATOM 0 HB VAL A 114 13.766 3.634 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.503 4.778 -2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 114 16.016 4.519 -4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 114 15.485 6.133 -3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 114 13.117 5.091 -2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 114 12.963 6.463 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.878 5.061 -3.561 1.00 0.00 H new ATOM 1674 N ALA A 115 15.116 3.308 -6.261 1.00 0.00 N ATOM 1675 CA ALA A 115 15.729 2.298 -7.107 1.00 0.00 C ATOM 1676 C ALA A 115 15.778 2.808 -8.549 1.00 0.00 C ATOM 1677 O ALA A 115 15.608 2.035 -9.491 1.00 0.00 O ATOM 1678 CB ALA A 115 14.954 0.985 -6.979 1.00 0.00 C ATOM 0 H ALA A 115 15.495 3.360 -5.315 1.00 0.00 H new ATOM 0 HA ALA A 115 16.754 2.103 -6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.414 0.228 -7.614 1.00 0.00 H new ATOM 0 HB2 ALA A 115 14.974 0.650 -5.942 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.921 1.140 -7.290 1.00 0.00 H new