USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 556 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 37 ASN : amide:sc= 0.328 K(o=-0.79,f=-6.4!) USER MOD Set 1.2: A 42 GLN : amide:sc= -1.12! C(o=-0.79!,f=-5.6!) USER MOD Set 2.1: A 1 MET N :NH3+ -115:sc= 1.19 (180deg=-0.144) USER MOD Set 2.2: A 3 GLN : amide:sc= 0.921 K(o=2.1,f=-6.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.015) USER MOD Single : A 8 GLN : amide:sc= 1.09 K(o=1.1,f=-0.068) USER MOD Single : A 12 MET CE :methyl 178:sc= -1.35 (180deg=-1.36) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.413 USER MOD Single : A 17 CYS SG : rot 170:sc= 0.0467 USER MOD Single : A 19 SER OG : rot -54:sc= 1.24 USER MOD Single : A 20 SER OG : rot 160:sc= 0.297 USER MOD Single : A 27 LYS NZ :NH3+ 178:sc=-0.00247 (180deg=-0.0109) USER MOD Single : A 32 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.38) USER MOD Single : A 33 SER OG : rot 55:sc= 1.27 USER MOD Single : A 34 CYS SG : rot 31:sc= 0.00716 USER MOD Single : A 35 GLN : amide:sc= 0.479 X(o=0.48,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0181 USER MOD Single : A 47 TYR OH : rot 157:sc= 1.26 USER MOD Single : A 48 HIS : no HD1:sc= -2.96 K(o=-3,f=-6!) USER MOD Single : A 51 THR OG1 : rot -55:sc= 0.801 USER MOD Single : A 52 THR OG1 : rot -140:sc= -0.139 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -9:sc= 0.148 USER MOD Single : A 66 HIS : no HD1:sc= 0.11 K(o=0.11,f=-2.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0.761 K(o=0.76,f=-4.4!) USER MOD Single : A 73 GLN : amide:sc= 0.534 K(o=0.53,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.244 -10.626 -10.475 1.00 5.84 N ATOM 2 CA MET A 1 -8.621 -11.947 -10.185 1.00 4.88 C ATOM 3 C MET A 1 -7.113 -11.858 -10.409 1.00 3.69 C ATOM 4 O MET A 1 -6.721 -11.056 -11.242 1.00 4.18 O ATOM 5 CB MET A 1 -9.193 -13.062 -11.072 1.00 5.30 C ATOM 6 CG MET A 1 -10.667 -13.352 -10.766 1.00 6.49 C ATOM 7 SD MET A 1 -11.323 -14.819 -11.602 1.00 7.39 S ATOM 8 CE MET A 1 -11.409 -14.253 -13.324 1.00 8.09 C ATOM 0 H1 MET A 1 -9.650 -10.234 -9.601 1.00 5.84 H new ATOM 0 H2 MET A 1 -8.522 -9.975 -10.843 1.00 5.84 H new ATOM 0 H3 MET A 1 -9.996 -10.745 -11.183 1.00 5.84 H new ATOM 0 HA MET A 1 -8.843 -12.195 -9.147 1.00 4.88 H new ATOM 0 HB2 MET A 1 -9.091 -12.778 -12.119 1.00 5.30 H new ATOM 0 HB3 MET A 1 -8.609 -13.971 -10.930 1.00 5.30 H new ATOM 0 HG2 MET A 1 -10.785 -13.477 -9.690 1.00 6.49 H new ATOM 0 HG3 MET A 1 -11.264 -12.486 -11.054 1.00 6.49 H new ATOM 0 HE1 MET A 1 -11.796 -15.056 -13.952 1.00 8.09 H new ATOM 0 HE2 MET A 1 -12.070 -13.389 -13.390 1.00 8.09 H new ATOM 0 HE3 MET A 1 -10.412 -13.974 -13.665 1.00 8.09 H new ATOM 20 N ALA A 2 -6.287 -12.624 -9.674 1.00 2.95 N ATOM 21 CA ALA A 2 -4.808 -12.601 -9.789 1.00 2.42 C ATOM 22 C ALA A 2 -4.222 -11.165 -9.724 1.00 1.67 C ATOM 23 O ALA A 2 -3.323 -10.788 -10.469 1.00 1.92 O ATOM 24 CB ALA A 2 -4.399 -13.373 -11.057 1.00 3.59 C ATOM 0 H ALA A 2 -6.626 -13.285 -8.975 1.00 2.95 H new ATOM 0 HA ALA A 2 -4.373 -13.102 -8.924 1.00 2.42 H new ATOM 0 HB1 ALA A 2 -3.313 -13.364 -11.154 1.00 3.59 H new ATOM 0 HB2 ALA A 2 -4.748 -14.403 -10.984 1.00 3.59 H new ATOM 0 HB3 ALA A 2 -4.845 -12.899 -11.931 1.00 3.59 H new ATOM 30 N GLN A 3 -4.843 -10.308 -8.915 1.00 1.30 N ATOM 31 CA GLN A 3 -4.934 -8.881 -9.208 1.00 0.97 C ATOM 32 C GLN A 3 -3.880 -8.094 -8.419 1.00 0.81 C ATOM 33 O GLN A 3 -4.227 -7.440 -7.437 1.00 1.04 O ATOM 34 CB GLN A 3 -6.382 -8.440 -8.886 1.00 1.46 C ATOM 35 CG GLN A 3 -6.831 -7.201 -9.671 1.00 1.97 C ATOM 36 CD GLN A 3 -7.139 -7.567 -11.120 1.00 3.06 C ATOM 37 OE1 GLN A 3 -8.083 -8.301 -11.403 1.00 3.42 O ATOM 38 NE2 GLN A 3 -6.328 -7.143 -12.067 1.00 4.41 N ATOM 0 H GLN A 3 -5.295 -10.583 -8.043 1.00 1.30 H new ATOM 0 HA GLN A 3 -4.722 -8.677 -10.258 1.00 0.97 H new ATOM 0 HB2 GLN A 3 -7.062 -9.264 -9.103 1.00 1.46 H new ATOM 0 HB3 GLN A 3 -6.462 -8.233 -7.819 1.00 1.46 H new ATOM 0 HG2 GLN A 3 -7.715 -6.768 -9.204 1.00 1.97 H new ATOM 0 HG3 GLN A 3 -6.050 -6.441 -9.640 1.00 1.97 H new ATOM 0 HE21 GLN A 3 -5.544 -6.534 -11.832 1.00 4.41 H new ATOM 0 HE22 GLN A 3 -6.484 -7.424 -13.035 1.00 4.41 H new ATOM 47 N THR A 4 -2.591 -8.207 -8.769 1.00 0.77 N ATOM 48 CA THR A 4 -1.512 -7.513 -8.038 1.00 0.77 C ATOM 49 C THR A 4 -1.078 -6.243 -8.755 1.00 0.85 C ATOM 50 O THR A 4 -1.024 -6.171 -9.981 1.00 1.10 O ATOM 51 CB THR A 4 -0.345 -8.456 -7.680 1.00 0.83 C ATOM 52 OG1 THR A 4 0.601 -7.724 -6.939 1.00 0.98 O ATOM 53 CG2 THR A 4 0.358 -9.047 -8.903 1.00 1.12 C ATOM 0 H THR A 4 -2.266 -8.772 -9.554 1.00 0.77 H new ATOM 0 HA THR A 4 -1.918 -7.191 -7.079 1.00 0.77 H new ATOM 0 HB THR A 4 -0.765 -9.289 -7.116 1.00 0.83 H new ATOM 0 HG1 THR A 4 1.351 -8.307 -6.700 1.00 0.98 H new ATOM 0 HG21 THR A 4 1.168 -9.700 -8.577 1.00 1.12 H new ATOM 0 HG22 THR A 4 -0.357 -9.622 -9.491 1.00 1.12 H new ATOM 0 HG23 THR A 4 0.765 -8.241 -9.513 1.00 1.12 H new ATOM 61 N ILE A 5 -0.771 -5.232 -7.946 1.00 0.76 N ATOM 62 CA ILE A 5 -0.144 -3.974 -8.323 1.00 0.78 C ATOM 63 C ILE A 5 1.187 -3.912 -7.578 1.00 0.60 C ATOM 64 O ILE A 5 1.244 -4.116 -6.362 1.00 0.50 O ATOM 65 CB ILE A 5 -1.029 -2.753 -7.974 1.00 0.91 C ATOM 66 CG1 ILE A 5 -2.396 -2.788 -8.698 1.00 1.25 C ATOM 67 CG2 ILE A 5 -0.301 -1.452 -8.370 1.00 0.98 C ATOM 68 CD1 ILE A 5 -3.500 -3.476 -7.887 1.00 1.80 C ATOM 0 H ILE A 5 -0.967 -5.275 -6.946 1.00 0.76 H new ATOM 0 HA ILE A 5 0.001 -3.935 -9.403 1.00 0.78 H new ATOM 0 HB ILE A 5 -1.210 -2.789 -6.900 1.00 0.91 H new ATOM 0 HG12 ILE A 5 -2.705 -1.767 -8.924 1.00 1.25 H new ATOM 0 HG13 ILE A 5 -2.280 -3.305 -9.651 1.00 1.25 H new ATOM 0 HG21 ILE A 5 -0.927 -0.595 -8.123 1.00 0.98 H new ATOM 0 HG22 ILE A 5 0.641 -1.382 -7.826 1.00 0.98 H new ATOM 0 HG23 ILE A 5 -0.101 -1.458 -9.442 1.00 0.98 H new ATOM 0 HD11 ILE A 5 -4.430 -3.464 -8.455 1.00 1.80 H new ATOM 0 HD12 ILE A 5 -3.213 -4.507 -7.683 1.00 1.80 H new ATOM 0 HD13 ILE A 5 -3.643 -2.946 -6.945 1.00 1.80 H new ATOM 80 N ASN A 6 2.238 -3.612 -8.334 1.00 0.67 N ATOM 81 CA ASN A 6 3.589 -3.346 -7.857 1.00 0.57 C ATOM 82 C ASN A 6 4.014 -1.964 -8.372 1.00 0.52 C ATOM 83 O ASN A 6 3.898 -1.659 -9.562 1.00 0.72 O ATOM 84 CB ASN A 6 4.553 -4.464 -8.294 1.00 0.69 C ATOM 85 CG ASN A 6 4.611 -4.654 -9.804 1.00 0.94 C ATOM 86 OD1 ASN A 6 5.566 -4.274 -10.461 1.00 1.92 O ATOM 87 ND2 ASN A 6 3.584 -5.237 -10.398 1.00 1.23 N ATOM 0 H ASN A 6 2.166 -3.545 -9.349 1.00 0.67 H new ATOM 0 HA ASN A 6 3.617 -3.336 -6.767 1.00 0.57 H new ATOM 0 HB2 ASN A 6 5.553 -4.237 -7.925 1.00 0.69 H new ATOM 0 HB3 ASN A 6 4.247 -5.401 -7.828 1.00 0.69 H new ATOM 0 HD21 ASN A 6 3.588 -5.371 -11.409 1.00 1.23 H new ATOM 0 HD22 ASN A 6 2.787 -5.553 -9.845 1.00 1.23 H new ATOM 94 N LEU A 7 4.424 -1.099 -7.449 1.00 0.45 N ATOM 95 CA LEU A 7 4.684 0.321 -7.689 1.00 0.43 C ATOM 96 C LEU A 7 5.662 0.854 -6.638 1.00 0.40 C ATOM 97 O LEU A 7 6.092 0.101 -5.769 1.00 0.42 O ATOM 98 CB LEU A 7 3.344 1.086 -7.794 1.00 0.47 C ATOM 99 CG LEU A 7 2.662 1.563 -6.487 1.00 0.51 C ATOM 100 CD1 LEU A 7 1.306 2.181 -6.852 1.00 0.58 C ATOM 101 CD2 LEU A 7 2.424 0.430 -5.477 1.00 0.53 C ATOM 0 H LEU A 7 4.591 -1.374 -6.481 1.00 0.45 H new ATOM 0 HA LEU A 7 5.180 0.477 -8.647 1.00 0.43 H new ATOM 0 HB2 LEU A 7 3.511 1.962 -8.420 1.00 0.47 H new ATOM 0 HB3 LEU A 7 2.637 0.446 -8.323 1.00 0.47 H new ATOM 0 HG LEU A 7 3.331 2.281 -6.013 1.00 0.51 H new ATOM 0 HD11 LEU A 7 0.807 2.524 -5.946 1.00 0.58 H new ATOM 0 HD12 LEU A 7 1.460 3.025 -7.524 1.00 0.58 H new ATOM 0 HD13 LEU A 7 0.686 1.433 -7.346 1.00 0.58 H new ATOM 0 HD21 LEU A 7 1.944 0.833 -4.585 1.00 0.53 H new ATOM 0 HD22 LEU A 7 1.781 -0.328 -5.925 1.00 0.53 H new ATOM 0 HD23 LEU A 7 3.378 -0.020 -5.203 1.00 0.53 H new ATOM 113 N GLN A 8 6.028 2.131 -6.696 1.00 0.37 N ATOM 114 CA GLN A 8 6.826 2.788 -5.661 1.00 0.38 C ATOM 115 C GLN A 8 5.971 3.761 -4.853 1.00 0.41 C ATOM 116 O GLN A 8 4.877 4.150 -5.269 1.00 0.52 O ATOM 117 CB GLN A 8 8.056 3.448 -6.294 1.00 0.48 C ATOM 118 CG GLN A 8 9.159 2.407 -6.519 1.00 0.58 C ATOM 119 CD GLN A 8 10.316 2.967 -7.335 1.00 0.83 C ATOM 120 OE1 GLN A 8 10.614 2.488 -8.418 1.00 1.32 O ATOM 121 NE2 GLN A 8 10.979 4.010 -6.884 1.00 0.87 N ATOM 0 H GLN A 8 5.777 2.747 -7.470 1.00 0.37 H new ATOM 0 HA GLN A 8 7.190 2.045 -4.951 1.00 0.38 H new ATOM 0 HB2 GLN A 8 7.782 3.909 -7.243 1.00 0.48 H new ATOM 0 HB3 GLN A 8 8.424 4.244 -5.647 1.00 0.48 H new ATOM 0 HG2 GLN A 8 9.531 2.059 -5.555 1.00 0.58 H new ATOM 0 HG3 GLN A 8 8.740 1.541 -7.031 1.00 0.58 H new ATOM 0 HE21 GLN A 8 10.737 4.417 -5.980 1.00 0.87 H new ATOM 0 HE22 GLN A 8 11.735 4.412 -7.438 1.00 0.87 H new ATOM 130 N LEU A 9 6.454 4.132 -3.668 1.00 0.40 N ATOM 131 CA LEU A 9 5.644 4.832 -2.683 1.00 0.42 C ATOM 132 C LEU A 9 6.403 6.054 -2.139 1.00 0.50 C ATOM 133 O LEU A 9 7.563 5.981 -1.748 1.00 0.77 O ATOM 134 CB LEU A 9 5.223 3.812 -1.605 1.00 0.48 C ATOM 135 CG LEU A 9 3.932 4.222 -0.877 1.00 0.77 C ATOM 136 CD1 LEU A 9 2.707 3.883 -1.738 1.00 2.10 C ATOM 137 CD2 LEU A 9 3.790 3.505 0.473 1.00 1.44 C ATOM 0 H LEU A 9 7.413 3.955 -3.369 1.00 0.40 H new ATOM 0 HA LEU A 9 4.734 5.239 -3.123 1.00 0.42 H new ATOM 0 HB2 LEU A 9 5.080 2.836 -2.069 1.00 0.48 H new ATOM 0 HB3 LEU A 9 6.028 3.704 -0.878 1.00 0.48 H new ATOM 0 HG LEU A 9 3.989 5.296 -0.703 1.00 0.77 H new ATOM 0 HD11 LEU A 9 1.799 4.178 -1.212 1.00 2.10 H new ATOM 0 HD12 LEU A 9 2.768 4.420 -2.685 1.00 2.10 H new ATOM 0 HD13 LEU A 9 2.683 2.810 -1.930 1.00 2.10 H new ATOM 0 HD21 LEU A 9 2.866 3.821 0.957 1.00 1.44 H new ATOM 0 HD22 LEU A 9 3.765 2.427 0.312 1.00 1.44 H new ATOM 0 HD23 LEU A 9 4.638 3.757 1.110 1.00 1.44 H new ATOM 149 N GLU A 10 5.738 7.201 -2.180 1.00 0.56 N ATOM 150 CA GLU A 10 6.317 8.541 -2.220 1.00 0.67 C ATOM 151 C GLU A 10 6.034 9.315 -0.932 1.00 0.67 C ATOM 152 O GLU A 10 5.017 9.104 -0.277 1.00 0.63 O ATOM 153 CB GLU A 10 5.685 9.250 -3.425 1.00 0.91 C ATOM 154 CG GLU A 10 6.096 10.708 -3.622 1.00 1.54 C ATOM 155 CD GLU A 10 5.601 11.165 -4.988 1.00 1.97 C ATOM 156 OE1 GLU A 10 4.406 11.505 -5.073 1.00 3.04 O ATOM 157 OE2 GLU A 10 6.420 11.096 -5.937 1.00 2.63 O ATOM 0 H GLU A 10 4.718 7.224 -2.187 1.00 0.56 H new ATOM 0 HA GLU A 10 7.402 8.486 -2.312 1.00 0.67 H new ATOM 0 HB2 GLU A 10 5.941 8.694 -4.327 1.00 0.91 H new ATOM 0 HB3 GLU A 10 4.601 9.207 -3.321 1.00 0.91 H new ATOM 0 HG2 GLU A 10 5.670 11.332 -2.836 1.00 1.54 H new ATOM 0 HG3 GLU A 10 7.179 10.809 -3.558 1.00 1.54 H new ATOM 164 N GLY A 11 6.930 10.232 -0.549 1.00 1.17 N ATOM 165 CA GLY A 11 6.808 11.015 0.689 1.00 1.48 C ATOM 166 C GLY A 11 7.289 10.257 1.929 1.00 1.37 C ATOM 167 O GLY A 11 7.538 10.886 2.960 1.00 1.69 O ATOM 0 H GLY A 11 7.765 10.454 -1.091 1.00 1.17 H new ATOM 0 HA2 GLY A 11 7.383 11.936 0.588 1.00 1.48 H new ATOM 0 HA3 GLY A 11 5.766 11.303 0.828 1.00 1.48 H new ATOM 171 N MET A 12 7.496 8.941 1.817 1.00 1.18 N ATOM 172 CA MET A 12 8.259 8.119 2.765 1.00 1.21 C ATOM 173 C MET A 12 9.592 8.780 3.143 1.00 1.36 C ATOM 174 O MET A 12 10.185 9.499 2.343 1.00 2.36 O ATOM 175 CB MET A 12 8.515 6.731 2.165 1.00 1.46 C ATOM 176 CG MET A 12 7.214 5.962 1.925 1.00 2.19 C ATOM 177 SD MET A 12 7.466 4.306 1.252 1.00 3.21 S ATOM 178 CE MET A 12 8.145 3.446 2.679 1.00 3.78 C ATOM 0 H MET A 12 7.124 8.399 1.037 1.00 1.18 H new ATOM 0 HA MET A 12 7.666 8.021 3.674 1.00 1.21 H new ATOM 0 HB2 MET A 12 9.053 6.837 1.223 1.00 1.46 H new ATOM 0 HB3 MET A 12 9.156 6.159 2.835 1.00 1.46 H new ATOM 0 HG2 MET A 12 6.669 5.884 2.866 1.00 2.19 H new ATOM 0 HG3 MET A 12 6.586 6.532 1.240 1.00 2.19 H new ATOM 0 HE1 MET A 12 8.318 2.400 2.425 1.00 3.78 H new ATOM 0 HE2 MET A 12 9.088 3.910 2.969 1.00 3.78 H new ATOM 0 HE3 MET A 12 7.441 3.506 3.509 1.00 3.78 H new ATOM 188 N ARG A 13 10.048 8.544 4.377 1.00 1.25 N ATOM 189 CA ARG A 13 11.251 9.148 4.984 1.00 1.57 C ATOM 190 C ARG A 13 11.508 8.567 6.376 1.00 1.57 C ATOM 191 O ARG A 13 12.637 8.237 6.709 1.00 2.47 O ATOM 192 CB ARG A 13 11.128 10.693 5.074 1.00 2.04 C ATOM 193 CG ARG A 13 11.843 11.458 3.940 1.00 2.67 C ATOM 194 CD ARG A 13 10.926 12.421 3.168 1.00 3.16 C ATOM 195 NE ARG A 13 10.580 13.628 3.948 1.00 4.04 N ATOM 196 CZ ARG A 13 9.365 14.036 4.306 1.00 5.16 C ATOM 197 NH1 ARG A 13 8.275 13.327 4.080 1.00 5.48 N ATOM 198 NH2 ARG A 13 9.226 15.201 4.904 1.00 6.66 N ATOM 0 H ARG A 13 9.574 7.901 5.011 1.00 1.25 H new ATOM 0 HA ARG A 13 12.095 8.908 4.337 1.00 1.57 H new ATOM 0 HB2 ARG A 13 10.072 10.962 5.067 1.00 2.04 H new ATOM 0 HB3 ARG A 13 11.535 11.022 6.030 1.00 2.04 H new ATOM 0 HG2 ARG A 13 12.674 12.023 4.363 1.00 2.67 H new ATOM 0 HG3 ARG A 13 12.269 10.738 3.241 1.00 2.67 H new ATOM 0 HD2 ARG A 13 11.417 12.720 2.242 1.00 3.16 H new ATOM 0 HD3 ARG A 13 10.011 11.899 2.889 1.00 3.16 H new ATOM 0 HE ARG A 13 11.360 14.214 4.245 1.00 4.04 H new ATOM 0 HH11 ARG A 13 8.342 12.423 3.612 1.00 5.48 H new ATOM 0 HH12 ARG A 13 7.365 13.683 4.374 1.00 5.48 H new ATOM 0 HH21 ARG A 13 10.045 15.781 5.088 1.00 6.66 H new ATOM 0 HH22 ARG A 13 8.299 15.524 5.183 1.00 6.66 H new ATOM 212 N CYS A 14 10.454 8.431 7.185 1.00 1.38 N ATOM 213 CA CYS A 14 10.458 7.830 8.521 1.00 1.54 C ATOM 214 C CYS A 14 9.004 7.517 8.935 1.00 1.87 C ATOM 215 O CYS A 14 8.093 7.736 8.130 1.00 3.01 O ATOM 216 CB CYS A 14 11.194 8.768 9.502 1.00 2.25 C ATOM 217 SG CYS A 14 11.762 7.842 10.958 1.00 3.55 S ATOM 0 H CYS A 14 9.526 8.754 6.911 1.00 1.38 H new ATOM 0 HA CYS A 14 11.001 6.885 8.531 1.00 1.54 H new ATOM 0 HB2 CYS A 14 12.045 9.231 9.003 1.00 2.25 H new ATOM 0 HB3 CYS A 14 10.529 9.574 9.812 1.00 2.25 H new ATOM 0 HG CYS A 14 12.380 8.647 11.770 1.00 3.55 H new ATOM 223 N ALA A 15 8.829 7.019 10.164 1.00 1.84 N ATOM 224 CA ALA A 15 7.581 6.638 10.838 1.00 2.51 C ATOM 225 C ALA A 15 7.083 5.242 10.418 1.00 1.74 C ATOM 226 O ALA A 15 7.249 4.804 9.283 1.00 2.33 O ATOM 227 CB ALA A 15 6.492 7.716 10.685 1.00 3.86 C ATOM 0 H ALA A 15 9.633 6.857 10.770 1.00 1.84 H new ATOM 0 HA ALA A 15 7.812 6.570 11.901 1.00 2.51 H new ATOM 0 HB1 ALA A 15 5.586 7.394 11.198 1.00 3.86 H new ATOM 0 HB2 ALA A 15 6.842 8.652 11.121 1.00 3.86 H new ATOM 0 HB3 ALA A 15 6.276 7.867 9.627 1.00 3.86 H new ATOM 233 N ALA A 16 6.430 4.541 11.352 1.00 1.43 N ATOM 234 CA ALA A 16 5.916 3.175 11.178 1.00 1.14 C ATOM 235 C ALA A 16 4.657 3.072 10.281 1.00 1.01 C ATOM 236 O ALA A 16 4.022 2.018 10.212 1.00 1.19 O ATOM 237 CB ALA A 16 5.675 2.598 12.582 1.00 1.72 C ATOM 0 H ALA A 16 6.238 4.920 12.279 1.00 1.43 H new ATOM 0 HA ALA A 16 6.659 2.591 10.635 1.00 1.14 H new ATOM 0 HB1 ALA A 16 5.292 1.581 12.497 1.00 1.72 H new ATOM 0 HB2 ALA A 16 6.613 2.587 13.137 1.00 1.72 H new ATOM 0 HB3 ALA A 16 4.949 3.216 13.110 1.00 1.72 H new ATOM 243 N CYS A 17 4.273 4.155 9.596 1.00 0.92 N ATOM 244 CA CYS A 17 3.040 4.268 8.827 1.00 1.00 C ATOM 245 C CYS A 17 2.917 3.217 7.715 1.00 1.00 C ATOM 246 O CYS A 17 1.810 2.753 7.478 1.00 1.10 O ATOM 247 CB CYS A 17 2.955 5.689 8.255 1.00 1.26 C ATOM 248 SG CYS A 17 3.134 6.947 9.547 1.00 1.80 S ATOM 0 H CYS A 17 4.836 5.005 9.564 1.00 0.92 H new ATOM 0 HA CYS A 17 2.203 4.075 9.498 1.00 1.00 H new ATOM 0 HB2 CYS A 17 3.733 5.826 7.504 1.00 1.26 H new ATOM 0 HB3 CYS A 17 1.998 5.821 7.750 1.00 1.26 H new ATOM 0 HG CYS A 17 3.270 8.117 8.997 1.00 1.80 H new ATOM 254 N ALA A 18 4.021 2.822 7.065 1.00 1.02 N ATOM 255 CA ALA A 18 4.042 1.929 5.895 1.00 1.05 C ATOM 256 C ALA A 18 3.486 0.534 6.207 1.00 0.98 C ATOM 257 O ALA A 18 2.482 0.119 5.635 1.00 1.00 O ATOM 258 CB ALA A 18 5.480 1.849 5.361 1.00 1.17 C ATOM 0 H ALA A 18 4.954 3.124 7.347 1.00 1.02 H new ATOM 0 HA ALA A 18 3.385 2.346 5.131 1.00 1.05 H new ATOM 0 HB1 ALA A 18 5.510 1.190 4.493 1.00 1.17 H new ATOM 0 HB2 ALA A 18 5.817 2.845 5.072 1.00 1.17 H new ATOM 0 HB3 ALA A 18 6.135 1.456 6.138 1.00 1.17 H new ATOM 264 N SER A 19 4.056 -0.160 7.187 1.00 0.94 N ATOM 265 CA SER A 19 3.476 -1.430 7.653 1.00 0.94 C ATOM 266 C SER A 19 2.169 -1.231 8.435 1.00 0.81 C ATOM 267 O SER A 19 1.384 -2.163 8.591 1.00 0.85 O ATOM 268 CB SER A 19 4.501 -2.265 8.420 1.00 1.13 C ATOM 269 OG SER A 19 5.537 -2.634 7.532 1.00 1.84 O ATOM 0 H SER A 19 4.907 0.124 7.673 1.00 0.94 H new ATOM 0 HA SER A 19 3.203 -2.000 6.765 1.00 0.94 H new ATOM 0 HB2 SER A 19 4.905 -1.694 9.256 1.00 1.13 H new ATOM 0 HB3 SER A 19 4.028 -3.153 8.839 1.00 1.13 H new ATOM 0 HG SER A 19 5.153 -3.080 6.749 1.00 1.84 H new ATOM 275 N SER A 20 1.852 -0.005 8.863 1.00 0.77 N ATOM 276 CA SER A 20 0.486 0.325 9.277 1.00 0.78 C ATOM 277 C SER A 20 -0.513 0.390 8.098 1.00 0.77 C ATOM 278 O SER A 20 -1.711 0.196 8.319 1.00 0.89 O ATOM 279 CB SER A 20 0.480 1.615 10.111 1.00 0.86 C ATOM 280 OG SER A 20 -0.556 1.578 11.084 1.00 1.30 O ATOM 0 H SER A 20 2.515 0.767 8.931 1.00 0.77 H new ATOM 0 HA SER A 20 0.133 -0.494 9.903 1.00 0.78 H new ATOM 0 HB2 SER A 20 1.444 1.740 10.603 1.00 0.86 H new ATOM 0 HB3 SER A 20 0.342 2.476 9.457 1.00 0.86 H new ATOM 0 HG SER A 20 -0.360 2.223 11.795 1.00 1.30 H new ATOM 286 N ILE A 21 -0.058 0.611 6.853 1.00 0.71 N ATOM 287 CA ILE A 21 -0.851 0.352 5.634 1.00 0.75 C ATOM 288 C ILE A 21 -1.075 -1.155 5.522 1.00 0.70 C ATOM 289 O ILE A 21 -2.223 -1.579 5.525 1.00 0.75 O ATOM 290 CB ILE A 21 -0.210 0.895 4.323 1.00 0.86 C ATOM 291 CG1 ILE A 21 0.366 2.321 4.440 1.00 0.67 C ATOM 292 CG2 ILE A 21 -1.260 0.865 3.199 1.00 1.19 C ATOM 293 CD1 ILE A 21 1.104 2.808 3.188 1.00 0.95 C ATOM 0 H ILE A 21 0.875 0.976 6.661 1.00 0.71 H new ATOM 0 HA ILE A 21 -1.791 0.894 5.740 1.00 0.75 H new ATOM 0 HB ILE A 21 0.635 0.243 4.103 1.00 0.86 H new ATOM 0 HG12 ILE A 21 -0.448 3.012 4.660 1.00 0.67 H new ATOM 0 HG13 ILE A 21 1.051 2.355 5.287 1.00 0.67 H new ATOM 0 HG21 ILE A 21 -0.818 1.244 2.278 1.00 1.19 H new ATOM 0 HG22 ILE A 21 -1.598 -0.160 3.044 1.00 1.19 H new ATOM 0 HG23 ILE A 21 -2.109 1.489 3.477 1.00 1.19 H new ATOM 0 HD11 ILE A 21 1.477 3.819 3.355 1.00 0.95 H new ATOM 0 HD12 ILE A 21 1.941 2.143 2.977 1.00 0.95 H new ATOM 0 HD13 ILE A 21 0.420 2.810 2.340 1.00 0.95 H new ATOM 305 N GLU A 22 -0.011 -1.963 5.508 1.00 0.64 N ATOM 306 CA GLU A 22 -0.102 -3.429 5.393 1.00 0.65 C ATOM 307 C GLU A 22 -1.061 -4.024 6.444 1.00 0.66 C ATOM 308 O GLU A 22 -1.991 -4.759 6.116 1.00 0.68 O ATOM 309 CB GLU A 22 1.300 -4.048 5.519 1.00 0.67 C ATOM 310 CG GLU A 22 2.254 -3.589 4.402 1.00 0.78 C ATOM 311 CD GLU A 22 3.677 -4.103 4.625 1.00 0.79 C ATOM 312 OE1 GLU A 22 4.188 -3.890 5.748 1.00 1.89 O ATOM 313 OE2 GLU A 22 4.266 -4.641 3.666 1.00 1.80 O ATOM 0 H GLU A 22 0.947 -1.620 5.576 1.00 0.64 H new ATOM 0 HA GLU A 22 -0.512 -3.670 4.412 1.00 0.65 H new ATOM 0 HB2 GLU A 22 1.725 -3.781 6.487 1.00 0.67 H new ATOM 0 HB3 GLU A 22 1.216 -5.135 5.496 1.00 0.67 H new ATOM 0 HG2 GLU A 22 1.885 -3.945 3.440 1.00 0.78 H new ATOM 0 HG3 GLU A 22 2.264 -2.500 4.357 1.00 0.78 H new ATOM 320 N ARG A 23 -0.929 -3.613 7.710 1.00 0.69 N ATOM 321 CA ARG A 23 -1.797 -4.027 8.822 1.00 0.75 C ATOM 322 C ARG A 23 -3.267 -3.597 8.658 1.00 0.82 C ATOM 323 O ARG A 23 -4.148 -4.216 9.259 1.00 0.91 O ATOM 324 CB ARG A 23 -1.191 -3.464 10.118 1.00 0.81 C ATOM 325 CG ARG A 23 -1.776 -4.009 11.432 1.00 1.05 C ATOM 326 CD ARG A 23 -1.623 -5.528 11.581 1.00 1.72 C ATOM 327 NE ARG A 23 -1.944 -5.953 12.957 1.00 1.91 N ATOM 328 CZ ARG A 23 -1.871 -7.189 13.440 1.00 2.44 C ATOM 329 NH1 ARG A 23 -1.576 -8.222 12.677 1.00 3.71 N ATOM 330 NH2 ARG A 23 -2.093 -7.406 14.720 1.00 2.57 N ATOM 0 H ARG A 23 -0.196 -2.965 7.999 1.00 0.69 H new ATOM 0 HA ARG A 23 -1.833 -5.116 8.845 1.00 0.75 H new ATOM 0 HB2 ARG A 23 -0.120 -3.664 10.111 1.00 0.81 H new ATOM 0 HB3 ARG A 23 -1.313 -2.381 10.111 1.00 0.81 H new ATOM 0 HG2 ARG A 23 -1.285 -3.517 12.272 1.00 1.05 H new ATOM 0 HG3 ARG A 23 -2.834 -3.750 11.486 1.00 1.05 H new ATOM 0 HD2 ARG A 23 -2.281 -6.036 10.876 1.00 1.72 H new ATOM 0 HD3 ARG A 23 -0.603 -5.822 11.333 1.00 1.72 H new ATOM 0 HE ARG A 23 -2.253 -5.226 13.602 1.00 1.91 H new ATOM 0 HH11 ARG A 23 -1.395 -8.086 11.682 1.00 3.71 H new ATOM 0 HH12 ARG A 23 -1.528 -9.157 13.081 1.00 3.71 H new ATOM 0 HH21 ARG A 23 -2.320 -6.627 15.338 1.00 2.57 H new ATOM 0 HH22 ARG A 23 -2.038 -8.353 15.094 1.00 2.57 H new ATOM 344 N ALA A 24 -3.558 -2.551 7.879 1.00 0.84 N ATOM 345 CA ALA A 24 -4.917 -2.164 7.479 1.00 0.95 C ATOM 346 C ALA A 24 -5.405 -2.956 6.251 1.00 0.92 C ATOM 347 O ALA A 24 -6.519 -3.484 6.269 1.00 1.06 O ATOM 348 CB ALA A 24 -4.948 -0.649 7.236 1.00 1.04 C ATOM 0 H ALA A 24 -2.839 -1.935 7.499 1.00 0.84 H new ATOM 0 HA ALA A 24 -5.610 -2.411 8.283 1.00 0.95 H new ATOM 0 HB1 ALA A 24 -5.953 -0.349 6.938 1.00 1.04 H new ATOM 0 HB2 ALA A 24 -4.670 -0.128 8.152 1.00 1.04 H new ATOM 0 HB3 ALA A 24 -4.243 -0.393 6.445 1.00 1.04 H new ATOM 354 N ILE A 25 -4.545 -3.098 5.236 1.00 0.76 N ATOM 355 CA ILE A 25 -4.751 -3.878 4.005 1.00 0.76 C ATOM 356 C ILE A 25 -5.060 -5.334 4.334 1.00 0.76 C ATOM 357 O ILE A 25 -5.897 -5.932 3.668 1.00 0.86 O ATOM 358 CB ILE A 25 -3.525 -3.705 3.070 1.00 0.75 C ATOM 359 CG1 ILE A 25 -3.653 -2.350 2.337 1.00 0.83 C ATOM 360 CG2 ILE A 25 -3.350 -4.861 2.069 1.00 1.25 C ATOM 361 CD1 ILE A 25 -2.492 -2.020 1.388 1.00 1.10 C ATOM 0 H ILE A 25 -3.631 -2.645 5.251 1.00 0.76 H new ATOM 0 HA ILE A 25 -5.621 -3.503 3.467 1.00 0.76 H new ATOM 0 HB ILE A 25 -2.627 -3.722 3.687 1.00 0.75 H new ATOM 0 HG12 ILE A 25 -4.582 -2.348 1.767 1.00 0.83 H new ATOM 0 HG13 ILE A 25 -3.733 -1.557 3.080 1.00 0.83 H new ATOM 0 HG21 ILE A 25 -2.474 -4.675 1.447 1.00 1.25 H new ATOM 0 HG22 ILE A 25 -3.216 -5.796 2.613 1.00 1.25 H new ATOM 0 HG23 ILE A 25 -4.235 -4.932 1.437 1.00 1.25 H new ATOM 0 HD11 ILE A 25 -2.669 -1.052 0.920 1.00 1.10 H new ATOM 0 HD12 ILE A 25 -1.560 -1.985 1.952 1.00 1.10 H new ATOM 0 HD13 ILE A 25 -2.422 -2.788 0.618 1.00 1.10 H new ATOM 373 N ALA A 26 -4.505 -5.852 5.427 1.00 0.70 N ATOM 374 CA ALA A 26 -4.800 -7.174 5.987 1.00 0.71 C ATOM 375 C ALA A 26 -6.305 -7.482 6.177 1.00 0.87 C ATOM 376 O ALA A 26 -6.660 -8.643 6.356 1.00 1.02 O ATOM 377 CB ALA A 26 -4.016 -7.311 7.299 1.00 0.70 C ATOM 0 H ALA A 26 -3.808 -5.343 5.971 1.00 0.70 H new ATOM 0 HA ALA A 26 -4.483 -7.922 5.261 1.00 0.71 H new ATOM 0 HB1 ALA A 26 -4.215 -8.287 7.742 1.00 0.70 H new ATOM 0 HB2 ALA A 26 -2.949 -7.215 7.097 1.00 0.70 H new ATOM 0 HB3 ALA A 26 -4.326 -6.529 7.992 1.00 0.70 H new ATOM 383 N LYS A 27 -7.204 -6.483 6.175 1.00 0.95 N ATOM 384 CA LYS A 27 -8.658 -6.663 6.156 1.00 1.15 C ATOM 385 C LYS A 27 -9.360 -6.327 4.814 1.00 0.98 C ATOM 386 O LYS A 27 -10.584 -6.418 4.749 1.00 1.04 O ATOM 387 CB LYS A 27 -9.240 -5.782 7.267 1.00 1.38 C ATOM 388 CG LYS A 27 -8.857 -6.281 8.663 1.00 1.82 C ATOM 389 CD LYS A 27 -7.506 -5.838 9.243 1.00 2.03 C ATOM 390 CE LYS A 27 -7.356 -4.313 9.342 1.00 1.94 C ATOM 391 NZ LYS A 27 -8.421 -3.684 10.165 1.00 2.65 N ATOM 0 H LYS A 27 -6.927 -5.501 6.187 1.00 0.95 H new ATOM 0 HA LYS A 27 -8.844 -7.727 6.304 1.00 1.15 H new ATOM 0 HB2 LYS A 27 -8.887 -4.759 7.139 1.00 1.38 H new ATOM 0 HB3 LYS A 27 -10.326 -5.758 7.177 1.00 1.38 H new ATOM 0 HG2 LYS A 27 -9.637 -5.965 9.356 1.00 1.82 H new ATOM 0 HG3 LYS A 27 -8.870 -7.371 8.643 1.00 1.82 H new ATOM 0 HD2 LYS A 27 -7.385 -6.273 10.235 1.00 2.03 H new ATOM 0 HD3 LYS A 27 -6.704 -6.235 8.621 1.00 2.03 H new ATOM 0 HE2 LYS A 27 -6.383 -4.075 9.771 1.00 1.94 H new ATOM 0 HE3 LYS A 27 -7.376 -3.884 8.340 1.00 1.94 H new ATOM 0 HZ1 LYS A 27 -8.253 -2.660 10.227 1.00 2.65 H new ATOM 0 HZ2 LYS A 27 -9.347 -3.857 9.725 1.00 2.65 H new ATOM 0 HZ3 LYS A 27 -8.410 -4.095 11.120 1.00 2.65 H new ATOM 405 N VAL A 28 -8.648 -5.876 3.780 1.00 0.83 N ATOM 406 CA VAL A 28 -9.243 -5.376 2.521 1.00 0.76 C ATOM 407 C VAL A 28 -9.769 -6.547 1.676 1.00 0.96 C ATOM 408 O VAL A 28 -9.076 -7.562 1.577 1.00 0.93 O ATOM 409 CB VAL A 28 -8.234 -4.497 1.737 1.00 0.74 C ATOM 410 CG1 VAL A 28 -8.644 -4.180 0.287 1.00 1.07 C ATOM 411 CG2 VAL A 28 -8.062 -3.155 2.470 1.00 1.01 C ATOM 0 H VAL A 28 -7.629 -5.844 3.785 1.00 0.83 H new ATOM 0 HA VAL A 28 -10.093 -4.738 2.765 1.00 0.76 H new ATOM 0 HB VAL A 28 -7.315 -5.081 1.691 1.00 0.74 H new ATOM 0 HG11 VAL A 28 -7.878 -3.561 -0.181 1.00 1.07 H new ATOM 0 HG12 VAL A 28 -8.751 -5.109 -0.272 1.00 1.07 H new ATOM 0 HG13 VAL A 28 -9.593 -3.645 0.286 1.00 1.07 H new ATOM 0 HG21 VAL A 28 -7.354 -2.531 1.925 1.00 1.01 H new ATOM 0 HG22 VAL A 28 -9.024 -2.646 2.528 1.00 1.01 H new ATOM 0 HG23 VAL A 28 -7.686 -3.336 3.477 1.00 1.01 H new ATOM 421 N PRO A 29 -10.976 -6.442 1.071 1.00 1.35 N ATOM 422 CA PRO A 29 -11.597 -7.544 0.349 1.00 1.81 C ATOM 423 C PRO A 29 -10.706 -8.029 -0.795 1.00 1.83 C ATOM 424 O PRO A 29 -10.417 -7.296 -1.740 1.00 3.44 O ATOM 425 CB PRO A 29 -12.966 -7.046 -0.136 1.00 2.32 C ATOM 426 CG PRO A 29 -12.837 -5.525 -0.076 1.00 2.14 C ATOM 427 CD PRO A 29 -11.905 -5.320 1.113 1.00 1.50 C ATOM 0 HA PRO A 29 -11.730 -8.412 0.995 1.00 1.81 H new ATOM 0 HB2 PRO A 29 -13.183 -7.390 -1.147 1.00 2.32 H new ATOM 0 HB3 PRO A 29 -13.773 -7.405 0.503 1.00 2.32 H new ATOM 0 HG2 PRO A 29 -12.418 -5.117 -0.996 1.00 2.14 H new ATOM 0 HG3 PRO A 29 -13.802 -5.042 0.077 1.00 2.14 H new ATOM 0 HD2 PRO A 29 -11.377 -4.369 1.040 1.00 1.50 H new ATOM 0 HD3 PRO A 29 -12.461 -5.304 2.050 1.00 1.50 H new ATOM 435 N GLY A 30 -10.254 -9.279 -0.669 1.00 1.12 N ATOM 436 CA GLY A 30 -9.334 -9.913 -1.609 1.00 1.20 C ATOM 437 C GLY A 30 -7.846 -9.652 -1.359 1.00 0.87 C ATOM 438 O GLY A 30 -7.070 -9.927 -2.271 1.00 0.89 O ATOM 0 H GLY A 30 -10.524 -9.888 0.104 1.00 1.12 H new ATOM 0 HA2 GLY A 30 -9.504 -10.989 -1.586 1.00 1.20 H new ATOM 0 HA3 GLY A 30 -9.580 -9.573 -2.615 1.00 1.20 H new ATOM 442 N VAL A 31 -7.426 -9.145 -0.192 1.00 0.69 N ATOM 443 CA VAL A 31 -6.008 -9.169 0.242 1.00 0.57 C ATOM 444 C VAL A 31 -5.492 -10.612 0.181 1.00 0.60 C ATOM 445 O VAL A 31 -6.002 -11.504 0.860 1.00 0.77 O ATOM 446 CB VAL A 31 -5.806 -8.543 1.641 1.00 0.56 C ATOM 447 CG1 VAL A 31 -6.544 -9.255 2.789 1.00 0.99 C ATOM 448 CG2 VAL A 31 -4.304 -8.442 1.965 1.00 0.77 C ATOM 0 H VAL A 31 -8.053 -8.706 0.482 1.00 0.69 H new ATOM 0 HA VAL A 31 -5.425 -8.550 -0.440 1.00 0.57 H new ATOM 0 HB VAL A 31 -6.257 -7.553 1.578 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -6.339 -8.741 3.728 1.00 0.99 H new ATOM 0 HG12 VAL A 31 -7.617 -9.242 2.595 1.00 0.99 H new ATOM 0 HG13 VAL A 31 -6.200 -10.287 2.858 1.00 0.99 H new ATOM 0 HG21 VAL A 31 -4.174 -8.000 2.953 1.00 0.77 H new ATOM 0 HG22 VAL A 31 -3.861 -9.438 1.952 1.00 0.77 H new ATOM 0 HG23 VAL A 31 -3.812 -7.817 1.220 1.00 0.77 H new ATOM 458 N GLN A 32 -4.501 -10.843 -0.675 1.00 0.61 N ATOM 459 CA GLN A 32 -3.844 -12.144 -0.827 1.00 0.68 C ATOM 460 C GLN A 32 -2.364 -12.087 -0.437 1.00 0.70 C ATOM 461 O GLN A 32 -1.777 -13.131 -0.162 1.00 0.91 O ATOM 462 CB GLN A 32 -4.091 -12.686 -2.247 1.00 0.87 C ATOM 463 CG GLN A 32 -3.384 -11.913 -3.376 1.00 1.02 C ATOM 464 CD GLN A 32 -2.077 -12.537 -3.884 1.00 1.44 C ATOM 465 OE1 GLN A 32 -1.742 -12.423 -5.051 1.00 2.02 O ATOM 466 NE2 GLN A 32 -1.277 -13.202 -3.076 1.00 1.56 N ATOM 0 H GLN A 32 -4.124 -10.124 -1.293 1.00 0.61 H new ATOM 0 HA GLN A 32 -4.287 -12.854 -0.129 1.00 0.68 H new ATOM 0 HB2 GLN A 32 -3.768 -13.726 -2.283 1.00 0.87 H new ATOM 0 HB3 GLN A 32 -5.164 -12.679 -2.440 1.00 0.87 H new ATOM 0 HG2 GLN A 32 -4.073 -11.820 -4.216 1.00 1.02 H new ATOM 0 HG3 GLN A 32 -3.172 -10.903 -3.024 1.00 1.02 H new ATOM 0 HE21 GLN A 32 -1.525 -13.317 -2.093 1.00 1.56 H new ATOM 0 HE22 GLN A 32 -0.409 -13.602 -3.433 1.00 1.56 H new ATOM 475 N SER A 33 -1.756 -10.897 -0.398 1.00 0.60 N ATOM 476 CA SER A 33 -0.452 -10.593 0.209 1.00 0.69 C ATOM 477 C SER A 33 -0.114 -9.116 0.017 1.00 0.52 C ATOM 478 O SER A 33 -0.434 -8.553 -1.030 1.00 0.55 O ATOM 479 CB SER A 33 0.689 -11.446 -0.369 1.00 1.04 C ATOM 480 OG SER A 33 0.774 -12.663 0.343 1.00 1.62 O ATOM 0 H SER A 33 -2.185 -10.070 -0.813 1.00 0.60 H new ATOM 0 HA SER A 33 -0.541 -10.831 1.269 1.00 0.69 H new ATOM 0 HB2 SER A 33 0.511 -11.642 -1.426 1.00 1.04 H new ATOM 0 HB3 SER A 33 1.633 -10.905 -0.300 1.00 1.04 H new ATOM 0 HG SER A 33 -0.099 -13.109 0.334 1.00 1.62 H new ATOM 486 N CYS A 34 0.575 -8.530 1.002 1.00 0.56 N ATOM 487 CA CYS A 34 1.152 -7.188 0.966 1.00 0.47 C ATOM 488 C CYS A 34 2.603 -7.231 1.473 1.00 0.50 C ATOM 489 O CYS A 34 2.873 -7.879 2.489 1.00 1.00 O ATOM 490 CB CYS A 34 0.278 -6.239 1.810 1.00 0.76 C ATOM 491 SG CYS A 34 -0.045 -6.906 3.466 1.00 1.78 S ATOM 0 H CYS A 34 0.752 -9.004 1.887 1.00 0.56 H new ATOM 0 HA CYS A 34 1.173 -6.813 -0.057 1.00 0.47 H new ATOM 0 HB2 CYS A 34 0.774 -5.272 1.899 1.00 0.76 H new ATOM 0 HB3 CYS A 34 -0.668 -6.066 1.298 1.00 0.76 H new ATOM 0 HG CYS A 34 0.965 -7.631 3.846 1.00 1.78 H new ATOM 497 N GLN A 35 3.509 -6.575 0.752 1.00 0.41 N ATOM 498 CA GLN A 35 4.899 -6.340 1.132 1.00 0.45 C ATOM 499 C GLN A 35 5.335 -4.948 0.638 1.00 0.41 C ATOM 500 O GLN A 35 5.170 -4.628 -0.542 1.00 0.52 O ATOM 501 CB GLN A 35 5.827 -7.425 0.546 1.00 0.67 C ATOM 502 CG GLN A 35 5.827 -8.762 1.311 1.00 1.02 C ATOM 503 CD GLN A 35 4.983 -9.873 0.678 1.00 1.42 C ATOM 504 OE1 GLN A 35 5.385 -10.530 -0.267 1.00 2.10 O ATOM 505 NE2 GLN A 35 3.821 -10.192 1.209 1.00 2.10 N ATOM 0 H GLN A 35 3.282 -6.173 -0.158 1.00 0.41 H new ATOM 0 HA GLN A 35 4.975 -6.385 2.218 1.00 0.45 H new ATOM 0 HB2 GLN A 35 5.534 -7.614 -0.487 1.00 0.67 H new ATOM 0 HB3 GLN A 35 6.845 -7.037 0.522 1.00 0.67 H new ATOM 0 HG2 GLN A 35 6.855 -9.113 1.398 1.00 1.02 H new ATOM 0 HG3 GLN A 35 5.464 -8.584 2.323 1.00 1.02 H new ATOM 0 HE21 GLN A 35 3.459 -9.660 2.001 1.00 2.10 H new ATOM 0 HE22 GLN A 35 3.283 -10.971 0.829 1.00 2.10 H new ATOM 514 N VAL A 36 5.908 -4.145 1.538 1.00 0.42 N ATOM 515 CA VAL A 36 6.522 -2.825 1.306 1.00 0.40 C ATOM 516 C VAL A 36 8.032 -2.836 1.623 1.00 0.40 C ATOM 517 O VAL A 36 8.486 -3.532 2.530 1.00 0.53 O ATOM 518 CB VAL A 36 5.778 -1.729 2.115 1.00 0.59 C ATOM 519 CG1 VAL A 36 6.117 -1.725 3.618 1.00 1.61 C ATOM 520 CG2 VAL A 36 6.034 -0.317 1.560 1.00 1.22 C ATOM 0 H VAL A 36 5.961 -4.415 2.520 1.00 0.42 H new ATOM 0 HA VAL A 36 6.423 -2.590 0.246 1.00 0.40 H new ATOM 0 HB VAL A 36 4.726 -1.989 2.001 1.00 0.59 H new ATOM 0 HG11 VAL A 36 5.558 -0.932 4.115 1.00 1.61 H new ATOM 0 HG12 VAL A 36 5.847 -2.687 4.054 1.00 1.61 H new ATOM 0 HG13 VAL A 36 7.185 -1.554 3.750 1.00 1.61 H new ATOM 0 HG21 VAL A 36 5.492 0.414 2.160 1.00 1.22 H new ATOM 0 HG22 VAL A 36 7.101 -0.099 1.599 1.00 1.22 H new ATOM 0 HG23 VAL A 36 5.691 -0.264 0.527 1.00 1.22 H new ATOM 530 N ASN A 37 8.811 -2.042 0.883 1.00 0.50 N ATOM 531 CA ASN A 37 10.269 -1.969 0.967 1.00 0.55 C ATOM 532 C ASN A 37 10.737 -0.544 1.312 1.00 0.60 C ATOM 533 O ASN A 37 10.966 0.292 0.434 1.00 0.63 O ATOM 534 CB ASN A 37 10.848 -2.483 -0.360 1.00 0.62 C ATOM 535 CG ASN A 37 12.364 -2.659 -0.336 1.00 0.84 C ATOM 536 OD1 ASN A 37 13.098 -1.895 0.276 1.00 0.90 O ATOM 537 ND2 ASN A 37 12.880 -3.665 -1.014 1.00 1.33 N ATOM 0 H ASN A 37 8.426 -1.408 0.182 1.00 0.50 H new ATOM 0 HA ASN A 37 10.637 -2.598 1.777 1.00 0.55 H new ATOM 0 HB2 ASN A 37 10.383 -3.438 -0.604 1.00 0.62 H new ATOM 0 HB3 ASN A 37 10.584 -1.787 -1.156 1.00 0.62 H new ATOM 0 HD21 ASN A 37 13.890 -3.806 -1.028 1.00 1.33 H new ATOM 0 HD22 ASN A 37 12.269 -4.303 -1.525 1.00 1.33 H new ATOM 544 N PHE A 38 10.965 -0.289 2.607 1.00 0.65 N ATOM 545 CA PHE A 38 11.407 1.001 3.172 1.00 0.72 C ATOM 546 C PHE A 38 12.910 1.297 2.912 1.00 0.73 C ATOM 547 O PHE A 38 13.605 1.848 3.765 1.00 0.96 O ATOM 548 CB PHE A 38 11.016 1.044 4.671 1.00 0.82 C ATOM 549 CG PHE A 38 10.521 2.385 5.206 1.00 1.13 C ATOM 550 CD1 PHE A 38 11.409 3.453 5.452 1.00 2.33 C ATOM 551 CD2 PHE A 38 9.155 2.551 5.516 1.00 2.17 C ATOM 552 CE1 PHE A 38 10.942 4.670 5.980 1.00 2.81 C ATOM 553 CE2 PHE A 38 8.689 3.762 6.061 1.00 2.79 C ATOM 554 CZ PHE A 38 9.579 4.824 6.286 1.00 2.63 C ATOM 0 H PHE A 38 10.842 -1.004 3.324 1.00 0.65 H new ATOM 0 HA PHE A 38 10.893 1.812 2.656 1.00 0.72 H new ATOM 0 HB2 PHE A 38 10.238 0.300 4.842 1.00 0.82 H new ATOM 0 HB3 PHE A 38 11.882 0.741 5.259 1.00 0.82 H new ATOM 0 HD1 PHE A 38 12.460 3.335 5.232 1.00 2.33 H new ATOM 0 HD2 PHE A 38 8.462 1.743 5.334 1.00 2.17 H new ATOM 0 HE1 PHE A 38 11.630 5.485 6.150 1.00 2.81 H new ATOM 0 HE2 PHE A 38 7.643 3.875 6.307 1.00 2.79 H new ATOM 0 HZ PHE A 38 9.217 5.757 6.693 1.00 2.63 H new ATOM 564 N ALA A 39 13.432 0.901 1.746 1.00 0.61 N ATOM 565 CA ALA A 39 14.818 1.120 1.316 1.00 0.64 C ATOM 566 C ALA A 39 14.951 1.249 -0.213 1.00 0.64 C ATOM 567 O ALA A 39 15.868 1.912 -0.689 1.00 0.91 O ATOM 568 CB ALA A 39 15.680 -0.031 1.857 1.00 0.67 C ATOM 0 H ALA A 39 12.880 0.400 1.049 1.00 0.61 H new ATOM 0 HA ALA A 39 15.165 2.071 1.722 1.00 0.64 H new ATOM 0 HB1 ALA A 39 16.715 0.113 1.548 1.00 0.67 H new ATOM 0 HB2 ALA A 39 15.625 -0.046 2.946 1.00 0.67 H new ATOM 0 HB3 ALA A 39 15.312 -0.978 1.462 1.00 0.67 H new ATOM 574 N LEU A 40 14.027 0.660 -0.986 1.00 0.53 N ATOM 575 CA LEU A 40 13.953 0.721 -2.437 1.00 0.52 C ATOM 576 C LEU A 40 12.524 1.156 -2.898 1.00 0.48 C ATOM 577 O LEU A 40 12.091 0.907 -4.020 1.00 0.56 O ATOM 578 CB LEU A 40 14.513 -0.660 -2.862 1.00 0.55 C ATOM 579 CG LEU A 40 14.174 -1.178 -4.249 1.00 0.58 C ATOM 580 CD1 LEU A 40 14.707 -0.278 -5.376 1.00 0.64 C ATOM 581 CD2 LEU A 40 14.703 -2.608 -4.440 1.00 0.66 C ATOM 0 H LEU A 40 13.274 0.100 -0.585 1.00 0.53 H new ATOM 0 HA LEU A 40 14.541 1.489 -2.940 1.00 0.52 H new ATOM 0 HB2 LEU A 40 15.599 -0.618 -2.779 1.00 0.55 H new ATOM 0 HB3 LEU A 40 14.166 -1.397 -2.138 1.00 0.55 H new ATOM 0 HG LEU A 40 13.086 -1.173 -4.316 1.00 0.58 H new ATOM 0 HD11 LEU A 40 14.432 -0.703 -6.342 1.00 0.64 H new ATOM 0 HD12 LEU A 40 14.275 0.718 -5.281 1.00 0.64 H new ATOM 0 HD13 LEU A 40 15.793 -0.211 -5.305 1.00 0.64 H new ATOM 0 HD21 LEU A 40 14.449 -2.959 -5.440 1.00 0.66 H new ATOM 0 HD22 LEU A 40 15.786 -2.615 -4.317 1.00 0.66 H new ATOM 0 HD23 LEU A 40 14.250 -3.266 -3.698 1.00 0.66 H new ATOM 593 N GLU A 41 11.770 1.812 -2.008 1.00 0.50 N ATOM 594 CA GLU A 41 10.475 2.487 -2.225 1.00 0.48 C ATOM 595 C GLU A 41 9.287 1.590 -2.624 1.00 0.33 C ATOM 596 O GLU A 41 8.165 2.098 -2.650 1.00 0.33 O ATOM 597 CB GLU A 41 10.579 3.631 -3.258 1.00 0.68 C ATOM 598 CG GLU A 41 11.262 4.913 -2.766 1.00 0.94 C ATOM 599 CD GLU A 41 11.024 6.087 -3.731 1.00 1.23 C ATOM 600 OE1 GLU A 41 10.566 5.857 -4.883 1.00 2.05 O ATOM 601 OE2 GLU A 41 11.303 7.243 -3.346 1.00 2.01 O ATOM 0 H GLU A 41 12.070 1.894 -1.037 1.00 0.50 H new ATOM 0 HA GLU A 41 10.253 2.868 -1.228 1.00 0.48 H new ATOM 0 HB2 GLU A 41 11.123 3.262 -4.127 1.00 0.68 H new ATOM 0 HB3 GLU A 41 9.574 3.884 -3.595 1.00 0.68 H new ATOM 0 HG2 GLU A 41 10.883 5.171 -1.777 1.00 0.94 H new ATOM 0 HG3 GLU A 41 12.333 4.738 -2.661 1.00 0.94 H new ATOM 608 N GLN A 42 9.452 0.315 -2.998 1.00 0.33 N ATOM 609 CA GLN A 42 8.300 -0.415 -3.551 1.00 0.31 C ATOM 610 C GLN A 42 7.220 -0.753 -2.526 1.00 0.29 C ATOM 611 O GLN A 42 7.516 -1.073 -1.382 1.00 0.35 O ATOM 612 CB GLN A 42 8.657 -1.645 -4.396 1.00 0.34 C ATOM 613 CG GLN A 42 8.994 -2.955 -3.626 1.00 0.40 C ATOM 614 CD GLN A 42 10.434 -3.454 -3.745 1.00 0.44 C ATOM 615 OE1 GLN A 42 10.885 -4.293 -2.984 1.00 1.17 O ATOM 616 NE2 GLN A 42 11.241 -2.994 -4.676 1.00 0.89 N ATOM 0 H GLN A 42 10.323 -0.212 -2.934 1.00 0.33 H new ATOM 0 HA GLN A 42 7.873 0.315 -4.239 1.00 0.31 H new ATOM 0 HB2 GLN A 42 7.822 -1.850 -5.066 1.00 0.34 H new ATOM 0 HB3 GLN A 42 9.512 -1.390 -5.022 1.00 0.34 H new ATOM 0 HG2 GLN A 42 8.771 -2.799 -2.570 1.00 0.40 H new ATOM 0 HG3 GLN A 42 8.328 -3.742 -3.980 1.00 0.40 H new ATOM 0 HE21 GLN A 42 10.909 -2.291 -5.336 1.00 0.89 H new ATOM 0 HE22 GLN A 42 12.198 -3.340 -4.738 1.00 0.89 H new ATOM 625 N ALA A 43 5.978 -0.817 -3.002 1.00 0.30 N ATOM 626 CA ALA A 43 4.944 -1.677 -2.440 1.00 0.30 C ATOM 627 C ALA A 43 4.515 -2.692 -3.507 1.00 0.40 C ATOM 628 O ALA A 43 4.393 -2.339 -4.681 1.00 0.64 O ATOM 629 CB ALA A 43 3.767 -0.815 -1.954 1.00 0.36 C ATOM 0 H ALA A 43 5.660 -0.265 -3.799 1.00 0.30 H new ATOM 0 HA ALA A 43 5.322 -2.227 -1.578 1.00 0.30 H new ATOM 0 HB1 ALA A 43 2.994 -1.458 -1.534 1.00 0.36 H new ATOM 0 HB2 ALA A 43 4.116 -0.120 -1.190 1.00 0.36 H new ATOM 0 HB3 ALA A 43 3.356 -0.254 -2.793 1.00 0.36 H new ATOM 635 N VAL A 44 4.284 -3.942 -3.102 1.00 0.37 N ATOM 636 CA VAL A 44 3.546 -4.933 -3.895 1.00 0.41 C ATOM 637 C VAL A 44 2.362 -5.447 -3.086 1.00 0.42 C ATOM 638 O VAL A 44 2.534 -5.898 -1.952 1.00 0.47 O ATOM 639 CB VAL A 44 4.438 -6.086 -4.420 1.00 0.49 C ATOM 640 CG1 VAL A 44 5.190 -6.879 -3.337 1.00 0.53 C ATOM 641 CG2 VAL A 44 3.630 -7.051 -5.305 1.00 0.56 C ATOM 0 H VAL A 44 4.607 -4.301 -2.204 1.00 0.37 H new ATOM 0 HA VAL A 44 3.177 -4.435 -4.792 1.00 0.41 H new ATOM 0 HB VAL A 44 5.207 -5.585 -5.008 1.00 0.49 H new ATOM 0 HG11 VAL A 44 5.785 -7.662 -3.807 1.00 0.53 H new ATOM 0 HG12 VAL A 44 5.846 -6.207 -2.784 1.00 0.53 H new ATOM 0 HG13 VAL A 44 4.472 -7.330 -2.652 1.00 0.53 H new ATOM 0 HG21 VAL A 44 4.281 -7.850 -5.660 1.00 0.56 H new ATOM 0 HG22 VAL A 44 2.813 -7.479 -4.725 1.00 0.56 H new ATOM 0 HG23 VAL A 44 3.224 -6.508 -6.158 1.00 0.56 H new ATOM 651 N VAL A 45 1.159 -5.372 -3.666 1.00 0.53 N ATOM 652 CA VAL A 45 -0.058 -5.919 -3.040 1.00 0.54 C ATOM 653 C VAL A 45 -1.016 -6.437 -4.108 1.00 0.57 C ATOM 654 O VAL A 45 -1.285 -5.744 -5.091 1.00 0.64 O ATOM 655 CB VAL A 45 -0.824 -4.900 -2.148 1.00 0.55 C ATOM 656 CG1 VAL A 45 -1.900 -5.573 -1.295 1.00 0.78 C ATOM 657 CG2 VAL A 45 0.071 -4.057 -1.218 1.00 0.90 C ATOM 0 H VAL A 45 0.998 -4.936 -4.574 1.00 0.53 H new ATOM 0 HA VAL A 45 0.288 -6.725 -2.393 1.00 0.54 H new ATOM 0 HB VAL A 45 -1.279 -4.224 -2.872 1.00 0.55 H new ATOM 0 HG11 VAL A 45 -2.407 -4.822 -0.690 1.00 0.78 H new ATOM 0 HG12 VAL A 45 -2.624 -6.065 -1.944 1.00 0.78 H new ATOM 0 HG13 VAL A 45 -1.437 -6.313 -0.642 1.00 0.78 H new ATOM 0 HG21 VAL A 45 -0.549 -3.376 -0.635 1.00 0.90 H new ATOM 0 HG22 VAL A 45 0.618 -4.716 -0.544 1.00 0.90 H new ATOM 0 HG23 VAL A 45 0.778 -3.482 -1.816 1.00 0.90 H new ATOM 667 N SER A 46 -1.617 -7.604 -3.865 1.00 0.58 N ATOM 668 CA SER A 46 -2.929 -7.918 -4.438 1.00 0.56 C ATOM 669 C SER A 46 -3.991 -7.959 -3.336 1.00 0.53 C ATOM 670 O SER A 46 -3.816 -8.611 -2.309 1.00 0.58 O ATOM 671 CB SER A 46 -2.896 -9.175 -5.307 1.00 0.82 C ATOM 672 OG SER A 46 -4.193 -9.584 -5.701 1.00 1.59 O ATOM 0 H SER A 46 -1.221 -8.341 -3.281 1.00 0.58 H new ATOM 0 HA SER A 46 -3.210 -7.117 -5.122 1.00 0.56 H new ATOM 0 HB2 SER A 46 -2.291 -8.986 -6.194 1.00 0.82 H new ATOM 0 HB3 SER A 46 -2.413 -9.983 -4.757 1.00 0.82 H new ATOM 0 HG SER A 46 -4.128 -10.389 -6.256 1.00 1.59 H new ATOM 678 N TYR A 47 -5.056 -7.180 -3.551 1.00 0.66 N ATOM 679 CA TYR A 47 -6.028 -6.725 -2.542 1.00 0.74 C ATOM 680 C TYR A 47 -7.400 -6.371 -3.138 1.00 0.85 C ATOM 681 O TYR A 47 -7.987 -5.333 -2.846 1.00 1.32 O ATOM 682 CB TYR A 47 -5.435 -5.653 -1.593 1.00 0.94 C ATOM 683 CG TYR A 47 -4.885 -4.318 -2.125 1.00 0.93 C ATOM 684 CD1 TYR A 47 -4.084 -4.228 -3.286 1.00 1.42 C ATOM 685 CD2 TYR A 47 -5.040 -3.157 -1.335 1.00 1.71 C ATOM 686 CE1 TYR A 47 -3.486 -3.015 -3.672 1.00 1.43 C ATOM 687 CE2 TYR A 47 -4.418 -1.942 -1.695 1.00 1.87 C ATOM 688 CZ TYR A 47 -3.640 -1.868 -2.873 1.00 1.24 C ATOM 689 OH TYR A 47 -3.025 -0.711 -3.245 1.00 1.48 O ATOM 0 H TYR A 47 -5.278 -6.829 -4.483 1.00 0.66 H new ATOM 0 HA TYR A 47 -6.237 -7.581 -1.900 1.00 0.74 H new ATOM 0 HB2 TYR A 47 -6.212 -5.408 -0.868 1.00 0.94 H new ATOM 0 HB3 TYR A 47 -4.625 -6.132 -1.043 1.00 0.94 H new ATOM 0 HD1 TYR A 47 -3.928 -5.110 -3.890 1.00 1.42 H new ATOM 0 HD2 TYR A 47 -5.644 -3.200 -0.441 1.00 1.71 H new ATOM 0 HE1 TYR A 47 -2.908 -2.964 -4.583 1.00 1.43 H new ATOM 0 HE2 TYR A 47 -4.537 -1.069 -1.070 1.00 1.87 H new ATOM 0 HH TYR A 47 -3.489 0.051 -2.840 1.00 1.48 H new ATOM 699 N HIS A 48 -7.888 -7.241 -4.031 1.00 0.78 N ATOM 700 CA HIS A 48 -9.069 -6.985 -4.861 1.00 0.88 C ATOM 701 C HIS A 48 -9.944 -8.232 -5.078 1.00 1.06 C ATOM 702 O HIS A 48 -9.555 -9.149 -5.811 1.00 1.34 O ATOM 703 CB HIS A 48 -8.635 -6.389 -6.213 1.00 1.06 C ATOM 704 CG HIS A 48 -7.660 -5.254 -6.091 1.00 1.11 C ATOM 705 ND1 HIS A 48 -7.999 -3.921 -5.884 1.00 1.04 N ATOM 706 CD2 HIS A 48 -6.306 -5.396 -6.008 1.00 1.30 C ATOM 707 CE1 HIS A 48 -6.840 -3.287 -5.665 1.00 1.18 C ATOM 708 NE2 HIS A 48 -5.809 -4.141 -5.754 1.00 1.37 N ATOM 0 H HIS A 48 -7.467 -8.155 -4.199 1.00 0.78 H new ATOM 0 HA HIS A 48 -9.689 -6.270 -4.320 1.00 0.88 H new ATOM 0 HB2 HIS A 48 -8.187 -7.176 -6.819 1.00 1.06 H new ATOM 0 HB3 HIS A 48 -9.519 -6.040 -6.746 1.00 1.06 H new ATOM 0 HD2 HIS A 48 -5.740 -6.309 -6.119 1.00 1.30 H new ATOM 0 HE1 HIS A 48 -6.748 -2.233 -5.447 1.00 1.18 H new ATOM 0 HE2 HIS A 48 -4.823 -3.899 -5.651 1.00 1.37 H new ATOM 716 N GLY A 49 -11.136 -8.226 -4.481 1.00 1.38 N ATOM 717 CA GLY A 49 -12.230 -9.145 -4.787 1.00 1.75 C ATOM 718 C GLY A 49 -13.088 -8.590 -5.924 1.00 1.57 C ATOM 719 O GLY A 49 -12.607 -8.427 -7.046 1.00 2.34 O ATOM 0 H GLY A 49 -11.373 -7.559 -3.747 1.00 1.38 H new ATOM 0 HA2 GLY A 49 -11.828 -10.119 -5.068 1.00 1.75 H new ATOM 0 HA3 GLY A 49 -12.845 -9.298 -3.900 1.00 1.75 H new ATOM 723 N GLU A 50 -14.352 -8.322 -5.614 1.00 1.81 N ATOM 724 CA GLU A 50 -15.435 -8.040 -6.561 1.00 1.97 C ATOM 725 C GLU A 50 -15.359 -6.644 -7.208 1.00 1.98 C ATOM 726 O GLU A 50 -15.642 -6.516 -8.398 1.00 2.80 O ATOM 727 CB GLU A 50 -16.810 -8.179 -5.863 1.00 2.56 C ATOM 728 CG GLU A 50 -17.034 -9.438 -5.004 1.00 3.28 C ATOM 729 CD GLU A 50 -16.390 -9.298 -3.624 1.00 3.89 C ATOM 730 OE1 GLU A 50 -16.978 -8.607 -2.770 1.00 4.51 O ATOM 731 OE2 GLU A 50 -15.243 -9.776 -3.484 1.00 4.53 O ATOM 0 H GLU A 50 -14.670 -8.293 -4.645 1.00 1.81 H new ATOM 0 HA GLU A 50 -15.317 -8.775 -7.358 1.00 1.97 H new ATOM 0 HB2 GLU A 50 -16.958 -7.305 -5.228 1.00 2.56 H new ATOM 0 HB3 GLU A 50 -17.584 -8.150 -6.630 1.00 2.56 H new ATOM 0 HG2 GLU A 50 -18.103 -9.617 -4.891 1.00 3.28 H new ATOM 0 HG3 GLU A 50 -16.618 -10.307 -5.514 1.00 3.28 H new ATOM 738 N THR A 51 -15.012 -5.598 -6.435 1.00 1.88 N ATOM 739 CA THR A 51 -15.255 -4.187 -6.818 1.00 2.17 C ATOM 740 C THR A 51 -14.473 -3.154 -5.984 1.00 2.21 C ATOM 741 O THR A 51 -14.980 -2.065 -5.700 1.00 3.32 O ATOM 742 CB THR A 51 -16.773 -3.924 -6.879 1.00 2.84 C ATOM 743 OG1 THR A 51 -16.983 -2.629 -7.373 1.00 3.40 O ATOM 744 CG2 THR A 51 -17.487 -4.035 -5.527 1.00 3.89 C ATOM 0 H THR A 51 -14.556 -5.703 -5.529 1.00 1.88 H new ATOM 0 HA THR A 51 -14.844 -4.041 -7.817 1.00 2.17 H new ATOM 0 HB THR A 51 -17.192 -4.696 -7.525 1.00 2.84 H new ATOM 0 HG1 THR A 51 -16.494 -1.985 -6.820 1.00 3.40 H new ATOM 0 HG21 THR A 51 -18.550 -3.835 -5.660 1.00 3.89 H new ATOM 0 HG22 THR A 51 -17.354 -5.040 -5.126 1.00 3.89 H new ATOM 0 HG23 THR A 51 -17.065 -3.309 -4.832 1.00 3.89 H new ATOM 752 N THR A 52 -13.243 -3.480 -5.559 1.00 2.32 N ATOM 753 CA THR A 52 -12.410 -2.626 -4.685 1.00 2.67 C ATOM 754 C THR A 52 -12.182 -1.233 -5.309 1.00 1.51 C ATOM 755 O THR A 52 -11.598 -1.160 -6.388 1.00 1.84 O ATOM 756 CB THR A 52 -11.067 -3.306 -4.394 1.00 4.10 C ATOM 757 OG1 THR A 52 -11.333 -4.546 -3.784 1.00 5.25 O ATOM 758 CG2 THR A 52 -10.201 -2.503 -3.421 1.00 5.15 C ATOM 0 H THR A 52 -12.788 -4.357 -5.814 1.00 2.32 H new ATOM 0 HA THR A 52 -12.947 -2.488 -3.746 1.00 2.67 H new ATOM 0 HB THR A 52 -10.531 -3.400 -5.339 1.00 4.10 H new ATOM 0 HG1 THR A 52 -10.683 -4.704 -3.067 1.00 5.25 H new ATOM 0 HG21 THR A 52 -9.262 -3.030 -3.250 1.00 5.15 H new ATOM 0 HG22 THR A 52 -9.994 -1.520 -3.844 1.00 5.15 H new ATOM 0 HG23 THR A 52 -10.729 -2.387 -2.475 1.00 5.15 H new ATOM 766 N PRO A 53 -12.608 -0.128 -4.661 1.00 1.91 N ATOM 767 CA PRO A 53 -12.437 1.233 -5.175 1.00 2.28 C ATOM 768 C PRO A 53 -11.062 1.817 -4.790 1.00 1.66 C ATOM 769 O PRO A 53 -10.207 1.109 -4.262 1.00 1.67 O ATOM 770 CB PRO A 53 -13.608 2.008 -4.556 1.00 4.04 C ATOM 771 CG PRO A 53 -13.733 1.366 -3.175 1.00 4.51 C ATOM 772 CD PRO A 53 -13.421 -0.104 -3.452 1.00 3.46 C ATOM 0 HA PRO A 53 -12.449 1.282 -6.264 1.00 2.28 H new ATOM 0 HB2 PRO A 53 -13.399 3.076 -4.490 1.00 4.04 H new ATOM 0 HB3 PRO A 53 -14.522 1.898 -5.140 1.00 4.04 H new ATOM 0 HG2 PRO A 53 -13.032 1.800 -2.463 1.00 4.51 H new ATOM 0 HG3 PRO A 53 -14.732 1.495 -2.758 1.00 4.51 H new ATOM 0 HD2 PRO A 53 -12.886 -0.553 -2.615 1.00 3.46 H new ATOM 0 HD3 PRO A 53 -14.338 -0.677 -3.588 1.00 3.46 H new ATOM 780 N GLN A 54 -10.863 3.132 -4.989 1.00 1.48 N ATOM 781 CA GLN A 54 -9.623 3.868 -4.670 1.00 1.21 C ATOM 782 C GLN A 54 -9.239 3.861 -3.171 1.00 1.09 C ATOM 783 O GLN A 54 -8.214 4.417 -2.796 1.00 1.15 O ATOM 784 CB GLN A 54 -9.692 5.285 -5.280 1.00 1.70 C ATOM 785 CG GLN A 54 -8.324 6.004 -5.303 1.00 3.10 C ATOM 786 CD GLN A 54 -8.267 7.235 -6.203 1.00 4.06 C ATOM 787 OE1 GLN A 54 -9.265 7.721 -6.705 1.00 3.84 O ATOM 788 NE2 GLN A 54 -7.097 7.782 -6.464 1.00 5.44 N ATOM 0 H GLN A 54 -11.583 3.733 -5.389 1.00 1.48 H new ATOM 0 HA GLN A 54 -8.797 3.329 -5.134 1.00 1.21 H new ATOM 0 HB2 GLN A 54 -10.077 5.217 -6.297 1.00 1.70 H new ATOM 0 HB3 GLN A 54 -10.401 5.885 -4.710 1.00 1.70 H new ATOM 0 HG2 GLN A 54 -8.068 6.302 -4.286 1.00 3.10 H new ATOM 0 HG3 GLN A 54 -7.562 5.296 -5.629 1.00 3.10 H new ATOM 0 HE21 GLN A 54 -6.249 7.391 -6.054 1.00 5.44 H new ATOM 0 HE22 GLN A 54 -7.040 8.596 -7.076 1.00 5.44 H new ATOM 797 N ILE A 55 -9.975 3.145 -2.313 1.00 1.15 N ATOM 798 CA ILE A 55 -9.507 2.732 -0.972 1.00 1.13 C ATOM 799 C ILE A 55 -8.190 1.926 -1.037 1.00 1.04 C ATOM 800 O ILE A 55 -7.396 1.954 -0.096 1.00 1.03 O ATOM 801 CB ILE A 55 -10.652 2.000 -0.227 1.00 1.46 C ATOM 802 CG1 ILE A 55 -11.881 2.919 -0.002 1.00 1.73 C ATOM 803 CG2 ILE A 55 -10.206 1.399 1.117 1.00 1.51 C ATOM 804 CD1 ILE A 55 -11.647 4.165 0.863 1.00 3.28 C ATOM 0 H ILE A 55 -10.922 2.830 -2.526 1.00 1.15 H new ATOM 0 HA ILE A 55 -9.255 3.619 -0.391 1.00 1.13 H new ATOM 0 HB ILE A 55 -10.940 1.178 -0.883 1.00 1.46 H new ATOM 0 HG12 ILE A 55 -12.250 3.242 -0.975 1.00 1.73 H new ATOM 0 HG13 ILE A 55 -12.672 2.327 0.458 1.00 1.73 H new ATOM 0 HG21 ILE A 55 -11.051 0.900 1.591 1.00 1.51 H new ATOM 0 HG22 ILE A 55 -9.408 0.677 0.946 1.00 1.51 H new ATOM 0 HG23 ILE A 55 -9.842 2.194 1.768 1.00 1.51 H new ATOM 0 HD11 ILE A 55 -12.576 4.728 0.949 1.00 3.28 H new ATOM 0 HD12 ILE A 55 -11.314 3.862 1.855 1.00 3.28 H new ATOM 0 HD13 ILE A 55 -10.885 4.792 0.400 1.00 3.28 H new ATOM 816 N LEU A 56 -7.895 1.321 -2.198 1.00 1.08 N ATOM 817 CA LEU A 56 -6.587 0.739 -2.521 1.00 1.13 C ATOM 818 C LEU A 56 -5.443 1.767 -2.419 1.00 0.96 C ATOM 819 O LEU A 56 -4.304 1.396 -2.125 1.00 1.09 O ATOM 820 CB LEU A 56 -6.673 0.053 -3.908 1.00 1.37 C ATOM 821 CG LEU A 56 -6.673 0.991 -5.141 1.00 1.32 C ATOM 822 CD1 LEU A 56 -5.251 1.244 -5.675 1.00 1.39 C ATOM 823 CD2 LEU A 56 -7.495 0.399 -6.297 1.00 1.68 C ATOM 0 H LEU A 56 -8.574 1.222 -2.952 1.00 1.08 H new ATOM 0 HA LEU A 56 -6.337 -0.019 -1.778 1.00 1.13 H new ATOM 0 HB2 LEU A 56 -5.833 -0.635 -4.002 1.00 1.37 H new ATOM 0 HB3 LEU A 56 -7.582 -0.548 -3.936 1.00 1.37 H new ATOM 0 HG LEU A 56 -7.113 1.927 -4.798 1.00 1.32 H new ATOM 0 HD11 LEU A 56 -5.299 1.907 -6.539 1.00 1.39 H new ATOM 0 HD12 LEU A 56 -4.647 1.708 -4.895 1.00 1.39 H new ATOM 0 HD13 LEU A 56 -4.799 0.297 -5.969 1.00 1.39 H new ATOM 0 HD21 LEU A 56 -7.474 1.083 -7.146 1.00 1.68 H new ATOM 0 HD22 LEU A 56 -7.069 -0.560 -6.593 1.00 1.68 H new ATOM 0 HD23 LEU A 56 -8.526 0.254 -5.974 1.00 1.68 H new ATOM 835 N THR A 57 -5.742 3.045 -2.684 1.00 0.80 N ATOM 836 CA THR A 57 -4.830 4.194 -2.573 1.00 0.76 C ATOM 837 C THR A 57 -4.996 4.896 -1.235 1.00 0.65 C ATOM 838 O THR A 57 -3.987 5.151 -0.595 1.00 0.66 O ATOM 839 CB THR A 57 -5.068 5.200 -3.707 1.00 0.94 C ATOM 840 OG1 THR A 57 -5.107 4.520 -4.942 1.00 1.66 O ATOM 841 CG2 THR A 57 -3.956 6.248 -3.791 1.00 1.67 C ATOM 0 H THR A 57 -6.673 3.321 -2.997 1.00 0.80 H new ATOM 0 HA THR A 57 -3.814 3.807 -2.649 1.00 0.76 H new ATOM 0 HB THR A 57 -6.013 5.701 -3.495 1.00 0.94 H new ATOM 0 HG1 THR A 57 -5.261 5.163 -5.665 1.00 1.66 H new ATOM 0 HG21 THR A 57 -4.167 6.938 -4.608 1.00 1.67 H new ATOM 0 HG22 THR A 57 -3.905 6.801 -2.853 1.00 1.67 H new ATOM 0 HG23 THR A 57 -3.002 5.753 -3.972 1.00 1.67 H new ATOM 849 N ASP A 58 -6.226 5.165 -0.789 1.00 0.66 N ATOM 850 CA ASP A 58 -6.561 5.915 0.442 1.00 0.76 C ATOM 851 C ASP A 58 -5.647 5.599 1.640 1.00 0.82 C ATOM 852 O ASP A 58 -5.125 6.501 2.292 1.00 0.91 O ATOM 853 CB ASP A 58 -8.019 5.590 0.790 1.00 0.88 C ATOM 854 CG ASP A 58 -8.574 6.385 1.972 1.00 1.43 C ATOM 855 OD1 ASP A 58 -8.406 5.897 3.112 1.00 2.52 O ATOM 856 OD2 ASP A 58 -9.212 7.427 1.711 1.00 2.39 O ATOM 0 H ASP A 58 -7.058 4.856 -1.292 1.00 0.66 H new ATOM 0 HA ASP A 58 -6.411 6.976 0.243 1.00 0.76 H new ATOM 0 HB2 ASP A 58 -8.641 5.780 -0.085 1.00 0.88 H new ATOM 0 HB3 ASP A 58 -8.099 4.526 1.013 1.00 0.88 H new ATOM 861 N ALA A 59 -5.346 4.317 1.874 1.00 0.88 N ATOM 862 CA ALA A 59 -4.501 3.917 2.996 1.00 1.08 C ATOM 863 C ALA A 59 -3.029 4.383 2.901 1.00 1.10 C ATOM 864 O ALA A 59 -2.363 4.473 3.936 1.00 1.50 O ATOM 865 CB ALA A 59 -4.653 2.401 3.180 1.00 1.27 C ATOM 0 H ALA A 59 -5.677 3.542 1.300 1.00 0.88 H new ATOM 0 HA ALA A 59 -4.846 4.437 3.890 1.00 1.08 H new ATOM 0 HB1 ALA A 59 -4.032 2.072 4.013 1.00 1.27 H new ATOM 0 HB2 ALA A 59 -5.696 2.163 3.388 1.00 1.27 H new ATOM 0 HB3 ALA A 59 -4.339 1.891 2.269 1.00 1.27 H new ATOM 871 N VAL A 60 -2.544 4.725 1.701 1.00 0.75 N ATOM 872 CA VAL A 60 -1.239 5.387 1.487 1.00 0.68 C ATOM 873 C VAL A 60 -1.294 6.865 1.867 1.00 0.72 C ATOM 874 O VAL A 60 -0.396 7.388 2.521 1.00 0.82 O ATOM 875 CB VAL A 60 -0.673 5.245 0.049 1.00 0.67 C ATOM 876 CG1 VAL A 60 -0.866 3.825 -0.522 1.00 1.85 C ATOM 877 CG2 VAL A 60 -1.004 6.311 -1.016 1.00 2.22 C ATOM 0 H VAL A 60 -3.051 4.549 0.834 1.00 0.75 H new ATOM 0 HA VAL A 60 -0.553 4.856 2.147 1.00 0.68 H new ATOM 0 HB VAL A 60 0.379 5.451 0.249 1.00 0.67 H new ATOM 0 HG11 VAL A 60 -0.453 3.779 -1.530 1.00 1.85 H new ATOM 0 HG12 VAL A 60 -0.352 3.104 0.114 1.00 1.85 H new ATOM 0 HG13 VAL A 60 -1.929 3.587 -0.554 1.00 1.85 H new ATOM 0 HG21 VAL A 60 -0.523 6.046 -1.958 1.00 2.22 H new ATOM 0 HG22 VAL A 60 -2.083 6.358 -1.160 1.00 2.22 H new ATOM 0 HG23 VAL A 60 -0.640 7.283 -0.683 1.00 2.22 H new ATOM 887 N GLU A 61 -2.396 7.504 1.487 1.00 0.71 N ATOM 888 CA GLU A 61 -2.705 8.908 1.791 1.00 0.81 C ATOM 889 C GLU A 61 -2.716 9.100 3.319 1.00 0.94 C ATOM 890 O GLU A 61 -1.968 9.921 3.850 1.00 1.12 O ATOM 891 CB GLU A 61 -4.051 9.344 1.168 1.00 0.78 C ATOM 892 CG GLU A 61 -4.263 8.997 -0.319 1.00 1.44 C ATOM 893 CD GLU A 61 -3.406 9.836 -1.263 1.00 1.44 C ATOM 894 OE1 GLU A 61 -3.516 11.083 -1.208 1.00 1.77 O ATOM 895 OE2 GLU A 61 -2.632 9.255 -2.057 1.00 2.45 O ATOM 0 H GLU A 61 -3.127 7.048 0.940 1.00 0.71 H new ATOM 0 HA GLU A 61 -1.935 9.541 1.350 1.00 0.81 H new ATOM 0 HB2 GLU A 61 -4.857 8.889 1.743 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -4.147 10.424 1.284 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -4.036 7.942 -0.475 1.00 1.44 H new ATOM 0 HG3 GLU A 61 -5.314 9.138 -0.572 1.00 1.44 H new ATOM 902 N ARG A 62 -3.448 8.235 4.038 1.00 0.98 N ATOM 903 CA ARG A 62 -3.446 8.109 5.507 1.00 1.12 C ATOM 904 C ARG A 62 -2.042 8.025 6.130 1.00 0.94 C ATOM 905 O ARG A 62 -1.868 8.387 7.292 1.00 1.25 O ATOM 906 CB ARG A 62 -4.287 6.865 5.874 1.00 1.28 C ATOM 907 CG ARG A 62 -4.210 6.394 7.343 1.00 2.32 C ATOM 908 CD ARG A 62 -3.040 5.430 7.642 1.00 1.65 C ATOM 909 NE ARG A 62 -2.948 5.121 9.084 1.00 1.94 N ATOM 910 CZ ARG A 62 -2.589 3.955 9.607 1.00 1.09 C ATOM 911 NH1 ARG A 62 -2.371 2.903 8.850 1.00 2.19 N ATOM 912 NH2 ARG A 62 -2.418 3.825 10.905 1.00 1.89 N ATOM 0 H ARG A 62 -4.086 7.575 3.594 1.00 0.98 H new ATOM 0 HA ARG A 62 -3.878 9.019 5.923 1.00 1.12 H new ATOM 0 HB2 ARG A 62 -5.330 7.075 5.637 1.00 1.28 H new ATOM 0 HB3 ARG A 62 -3.974 6.040 5.234 1.00 1.28 H new ATOM 0 HG2 ARG A 62 -4.119 7.268 7.988 1.00 2.32 H new ATOM 0 HG3 ARG A 62 -5.147 5.901 7.604 1.00 2.32 H new ATOM 0 HD2 ARG A 62 -3.175 4.507 7.079 1.00 1.65 H new ATOM 0 HD3 ARG A 62 -2.104 5.876 7.304 1.00 1.65 H new ATOM 0 HE ARG A 62 -3.181 5.870 9.736 1.00 1.94 H new ATOM 0 HH11 ARG A 62 -2.477 2.972 7.838 1.00 2.19 H new ATOM 0 HH12 ARG A 62 -2.096 2.017 9.275 1.00 2.19 H new ATOM 0 HH21 ARG A 62 -2.561 4.625 11.521 1.00 1.89 H new ATOM 0 HH22 ARG A 62 -2.142 2.924 11.295 1.00 1.89 H new ATOM 926 N ALA A 63 -1.055 7.456 5.430 1.00 0.61 N ATOM 927 CA ALA A 63 0.303 7.265 5.953 1.00 0.71 C ATOM 928 C ALA A 63 1.182 8.532 5.884 1.00 0.87 C ATOM 929 O ALA A 63 2.293 8.521 6.417 1.00 1.11 O ATOM 930 CB ALA A 63 0.935 6.065 5.228 1.00 0.80 C ATOM 0 H ALA A 63 -1.176 7.112 4.477 1.00 0.61 H new ATOM 0 HA ALA A 63 0.236 7.056 7.021 1.00 0.71 H new ATOM 0 HB1 ALA A 63 1.946 5.905 5.602 1.00 0.80 H new ATOM 0 HB2 ALA A 63 0.336 5.173 5.410 1.00 0.80 H new ATOM 0 HB3 ALA A 63 0.972 6.265 4.157 1.00 0.80 H new ATOM 936 N GLY A 64 0.690 9.598 5.238 1.00 0.90 N ATOM 937 CA GLY A 64 1.457 10.794 4.885 1.00 1.14 C ATOM 938 C GLY A 64 2.160 10.624 3.540 1.00 1.09 C ATOM 939 O GLY A 64 3.030 11.425 3.199 1.00 1.36 O ATOM 0 H GLY A 64 -0.284 9.650 4.939 1.00 0.90 H new ATOM 0 HA2 GLY A 64 0.792 11.656 4.844 1.00 1.14 H new ATOM 0 HA3 GLY A 64 2.195 10.998 5.661 1.00 1.14 H new ATOM 943 N TYR A 65 1.818 9.566 2.796 1.00 0.84 N ATOM 944 CA TYR A 65 2.514 9.135 1.587 1.00 0.80 C ATOM 945 C TYR A 65 1.644 9.309 0.322 1.00 0.88 C ATOM 946 O TYR A 65 0.500 9.760 0.391 1.00 1.34 O ATOM 947 CB TYR A 65 2.996 7.676 1.773 1.00 0.82 C ATOM 948 CG TYR A 65 3.840 7.346 3.004 1.00 1.05 C ATOM 949 CD1 TYR A 65 4.604 8.312 3.700 1.00 1.77 C ATOM 950 CD2 TYR A 65 3.863 6.013 3.454 1.00 2.68 C ATOM 951 CE1 TYR A 65 5.323 7.960 4.865 1.00 1.74 C ATOM 952 CE2 TYR A 65 4.595 5.651 4.598 1.00 3.14 C ATOM 953 CZ TYR A 65 5.324 6.621 5.318 1.00 1.92 C ATOM 954 OH TYR A 65 6.023 6.242 6.428 1.00 2.43 O ATOM 0 H TYR A 65 1.024 8.970 3.029 1.00 0.84 H new ATOM 0 HA TYR A 65 3.384 9.774 1.432 1.00 0.80 H new ATOM 0 HB2 TYR A 65 2.115 7.034 1.791 1.00 0.82 H new ATOM 0 HB3 TYR A 65 3.573 7.401 0.890 1.00 0.82 H new ATOM 0 HD1 TYR A 65 4.638 9.329 3.338 1.00 1.77 H new ATOM 0 HD2 TYR A 65 3.311 5.258 2.913 1.00 2.68 H new ATOM 0 HE1 TYR A 65 5.872 8.714 5.409 1.00 1.74 H new ATOM 0 HE2 TYR A 65 4.599 4.623 4.928 1.00 3.14 H new ATOM 0 HH TYR A 65 6.593 6.982 6.724 1.00 2.43 H new ATOM 964 N HIS A 66 2.201 8.978 -0.848 1.00 0.70 N ATOM 965 CA HIS A 66 1.534 8.973 -2.156 1.00 0.67 C ATOM 966 C HIS A 66 1.987 7.762 -2.964 1.00 0.62 C ATOM 967 O HIS A 66 3.049 7.206 -2.711 1.00 0.71 O ATOM 968 CB HIS A 66 1.796 10.298 -2.906 1.00 0.78 C ATOM 969 CG HIS A 66 0.808 11.343 -2.470 1.00 0.83 C ATOM 970 ND1 HIS A 66 0.956 12.205 -1.399 1.00 1.96 N ATOM 971 CD2 HIS A 66 -0.517 11.314 -2.798 1.00 1.57 C ATOM 972 CE1 HIS A 66 -0.269 12.648 -1.053 1.00 1.88 C ATOM 973 NE2 HIS A 66 -1.173 12.129 -1.905 1.00 1.32 N ATOM 0 H HIS A 66 3.178 8.692 -0.912 1.00 0.70 H new ATOM 0 HA HIS A 66 0.457 8.895 -2.010 1.00 0.67 H new ATOM 0 HB2 HIS A 66 2.811 10.642 -2.709 1.00 0.78 H new ATOM 0 HB3 HIS A 66 1.717 10.138 -3.981 1.00 0.78 H new ATOM 0 HD2 HIS A 66 -0.966 10.756 -3.607 1.00 1.57 H new ATOM 0 HE1 HIS A 66 -0.489 13.310 -0.228 1.00 1.88 H new ATOM 0 HE2 HIS A 66 -2.177 12.310 -1.891 1.00 1.32 H new ATOM 982 N ALA A 67 1.208 7.347 -3.956 1.00 0.57 N ATOM 983 CA ALA A 67 1.606 6.286 -4.880 1.00 0.63 C ATOM 984 C ALA A 67 2.325 6.879 -6.105 1.00 0.68 C ATOM 985 O ALA A 67 1.869 7.881 -6.649 1.00 0.92 O ATOM 986 CB ALA A 67 0.340 5.520 -5.280 1.00 0.71 C ATOM 0 H ALA A 67 0.283 7.734 -4.144 1.00 0.57 H new ATOM 0 HA ALA A 67 2.311 5.603 -4.405 1.00 0.63 H new ATOM 0 HB1 ALA A 67 0.602 4.719 -5.971 1.00 0.71 H new ATOM 0 HB2 ALA A 67 -0.124 5.094 -4.390 1.00 0.71 H new ATOM 0 HB3 ALA A 67 -0.360 6.201 -5.763 1.00 0.71 H new ATOM 992 N ARG A 68 3.406 6.242 -6.570 1.00 0.64 N ATOM 993 CA ARG A 68 4.112 6.605 -7.810 1.00 0.77 C ATOM 994 C ARG A 68 4.402 5.366 -8.661 1.00 0.63 C ATOM 995 O ARG A 68 4.700 4.286 -8.159 1.00 0.57 O ATOM 996 CB ARG A 68 5.397 7.409 -7.519 1.00 1.10 C ATOM 997 CG ARG A 68 6.365 6.712 -6.550 1.00 1.06 C ATOM 998 CD ARG A 68 7.805 7.237 -6.574 1.00 1.89 C ATOM 999 NE ARG A 68 7.934 8.655 -6.199 1.00 2.33 N ATOM 1000 CZ ARG A 68 9.043 9.224 -5.743 1.00 2.89 C ATOM 1001 NH1 ARG A 68 10.139 8.545 -5.498 1.00 3.34 N ATOM 1002 NH2 ARG A 68 9.037 10.514 -5.514 1.00 4.02 N ATOM 0 H ARG A 68 3.824 5.446 -6.089 1.00 0.64 H new ATOM 0 HA ARG A 68 3.453 7.255 -8.386 1.00 0.77 H new ATOM 0 HB2 ARG A 68 5.915 7.599 -8.459 1.00 1.10 H new ATOM 0 HB3 ARG A 68 5.121 8.379 -7.105 1.00 1.10 H new ATOM 0 HG2 ARG A 68 5.975 6.814 -5.537 1.00 1.06 H new ATOM 0 HG3 ARG A 68 6.380 5.647 -6.781 1.00 1.06 H new ATOM 0 HD2 ARG A 68 8.411 6.636 -5.896 1.00 1.89 H new ATOM 0 HD3 ARG A 68 8.214 7.098 -7.575 1.00 1.89 H new ATOM 0 HE ARG A 68 7.108 9.245 -6.297 1.00 2.33 H new ATOM 0 HH11 ARG A 68 10.161 7.538 -5.658 1.00 3.34 H new ATOM 0 HH12 ARG A 68 10.968 9.024 -5.148 1.00 3.34 H new ATOM 0 HH21 ARG A 68 8.192 11.059 -5.686 1.00 4.02 H new ATOM 0 HH22 ARG A 68 9.877 10.974 -5.163 1.00 4.02 H new ATOM 1016 N VAL A 69 4.327 5.509 -9.979 1.00 0.87 N ATOM 1017 CA VAL A 69 4.636 4.446 -10.924 1.00 0.99 C ATOM 1018 C VAL A 69 6.140 4.221 -11.044 1.00 1.11 C ATOM 1019 O VAL A 69 6.923 5.169 -11.003 1.00 1.42 O ATOM 1020 CB VAL A 69 4.016 4.758 -12.296 1.00 1.48 C ATOM 1021 CG1 VAL A 69 2.498 4.527 -12.269 1.00 1.33 C ATOM 1022 CG2 VAL A 69 4.321 6.170 -12.832 1.00 2.70 C ATOM 0 H VAL A 69 4.045 6.381 -10.427 1.00 0.87 H new ATOM 0 HA VAL A 69 4.200 3.521 -10.545 1.00 0.99 H new ATOM 0 HB VAL A 69 4.493 4.064 -12.988 1.00 1.48 H new ATOM 0 HG11 VAL A 69 2.078 4.753 -13.249 1.00 1.33 H new ATOM 0 HG12 VAL A 69 2.293 3.486 -12.018 1.00 1.33 H new ATOM 0 HG13 VAL A 69 2.044 5.177 -11.521 1.00 1.33 H new ATOM 0 HG21 VAL A 69 3.844 6.301 -13.803 1.00 2.70 H new ATOM 0 HG22 VAL A 69 3.936 6.915 -12.135 1.00 2.70 H new ATOM 0 HG23 VAL A 69 5.399 6.294 -12.937 1.00 2.70 H new ATOM 1032 N LEU A 70 6.515 2.951 -11.213 1.00 1.05 N ATOM 1033 CA LEU A 70 7.892 2.513 -11.415 1.00 1.28 C ATOM 1034 C LEU A 70 8.202 2.319 -12.909 1.00 1.42 C ATOM 1035 O LEU A 70 7.291 2.251 -13.738 1.00 1.52 O ATOM 1036 CB LEU A 70 8.166 1.296 -10.511 1.00 1.33 C ATOM 1037 CG LEU A 70 7.324 0.008 -10.680 1.00 1.21 C ATOM 1038 CD1 LEU A 70 7.584 -0.736 -11.997 1.00 1.49 C ATOM 1039 CD2 LEU A 70 7.642 -0.940 -9.512 1.00 1.61 C ATOM 0 H LEU A 70 5.848 2.180 -11.213 1.00 1.05 H new ATOM 0 HA LEU A 70 8.598 3.284 -11.107 1.00 1.28 H new ATOM 0 HB2 LEU A 70 9.212 1.021 -10.644 1.00 1.33 H new ATOM 0 HB3 LEU A 70 8.052 1.626 -9.478 1.00 1.33 H new ATOM 0 HG LEU A 70 6.278 0.314 -10.692 1.00 1.21 H new ATOM 0 HD11 LEU A 70 6.957 -1.627 -12.041 1.00 1.49 H new ATOM 0 HD12 LEU A 70 7.347 -0.083 -12.837 1.00 1.49 H new ATOM 0 HD13 LEU A 70 8.633 -1.027 -12.049 1.00 1.49 H new ATOM 0 HD21 LEU A 70 7.057 -1.854 -9.615 1.00 1.61 H new ATOM 0 HD22 LEU A 70 8.704 -1.186 -9.522 1.00 1.61 H new ATOM 0 HD23 LEU A 70 7.391 -0.453 -8.570 1.00 1.61 H new ATOM 1051 N LYS A 71 9.487 2.288 -13.276 1.00 2.24 N ATOM 1052 CA LYS A 71 9.957 2.325 -14.668 1.00 2.58 C ATOM 1053 C LYS A 71 11.319 1.637 -14.852 1.00 3.57 C ATOM 1054 O LYS A 71 12.196 1.725 -13.998 1.00 4.82 O ATOM 1055 CB LYS A 71 10.092 3.796 -15.131 1.00 3.70 C ATOM 1056 CG LYS A 71 8.789 4.588 -15.326 1.00 4.14 C ATOM 1057 CD LYS A 71 7.915 4.006 -16.443 1.00 4.37 C ATOM 1058 CE LYS A 71 6.678 4.882 -16.654 1.00 5.25 C ATOM 1059 NZ LYS A 71 5.880 4.398 -17.804 1.00 5.66 N ATOM 0 H LYS A 71 10.248 2.235 -12.599 1.00 2.24 H new ATOM 0 HA LYS A 71 9.220 1.787 -15.264 1.00 2.58 H new ATOM 0 HB2 LYS A 71 10.705 4.326 -14.402 1.00 3.70 H new ATOM 0 HB3 LYS A 71 10.639 3.806 -16.074 1.00 3.70 H new ATOM 0 HG2 LYS A 71 8.226 4.592 -14.393 1.00 4.14 H new ATOM 0 HG3 LYS A 71 9.029 5.626 -15.559 1.00 4.14 H new ATOM 0 HD2 LYS A 71 8.488 3.943 -17.368 1.00 4.37 H new ATOM 0 HD3 LYS A 71 7.612 2.991 -16.187 1.00 4.37 H new ATOM 0 HE2 LYS A 71 6.065 4.877 -15.753 1.00 5.25 H new ATOM 0 HE3 LYS A 71 6.983 5.914 -16.826 1.00 5.25 H new ATOM 0 HZ1 LYS A 71 5.046 5.007 -17.929 1.00 5.66 H new ATOM 0 HZ2 LYS A 71 6.461 4.426 -18.666 1.00 5.66 H new ATOM 0 HZ3 LYS A 71 5.572 3.421 -17.626 1.00 5.66 H new ATOM 1073 N GLN A 72 11.538 1.061 -16.038 1.00 3.51 N ATOM 1074 CA GLN A 72 12.871 0.760 -16.577 1.00 4.66 C ATOM 1075 C GLN A 72 13.458 1.941 -17.373 1.00 5.15 C ATOM 1076 O GLN A 72 14.672 1.998 -17.545 1.00 6.33 O ATOM 1077 CB GLN A 72 12.832 -0.525 -17.436 1.00 5.14 C ATOM 1078 CG GLN A 72 12.089 -0.448 -18.789 1.00 5.73 C ATOM 1079 CD GLN A 72 10.564 -0.486 -18.662 1.00 5.97 C ATOM 1080 OE1 GLN A 72 9.931 0.440 -18.171 1.00 5.82 O ATOM 1081 NE2 GLN A 72 9.918 -1.567 -19.041 1.00 7.21 N ATOM 0 H GLN A 72 10.781 0.785 -16.663 1.00 3.51 H new ATOM 0 HA GLN A 72 13.534 0.591 -15.729 1.00 4.66 H new ATOM 0 HB2 GLN A 72 13.859 -0.832 -17.632 1.00 5.14 H new ATOM 0 HB3 GLN A 72 12.371 -1.314 -16.842 1.00 5.14 H new ATOM 0 HG2 GLN A 72 12.379 0.470 -19.300 1.00 5.73 H new ATOM 0 HG3 GLN A 72 12.412 -1.278 -19.418 1.00 5.73 H new ATOM 0 HE21 GLN A 72 10.429 -2.348 -19.452 1.00 7.21 H new ATOM 0 HE22 GLN A 72 8.906 -1.624 -18.924 1.00 7.21 H new ATOM 1090 N GLN A 73 12.609 2.862 -17.856 1.00 5.15 N ATOM 1091 CA GLN A 73 12.909 4.066 -18.643 1.00 6.42 C ATOM 1092 C GLN A 73 11.590 4.732 -19.078 1.00 6.91 C ATOM 1093 O GLN A 73 10.513 4.177 -18.856 1.00 6.54 O ATOM 1094 CB GLN A 73 13.809 3.737 -19.859 1.00 6.85 C ATOM 1095 CG GLN A 73 15.262 4.202 -19.654 1.00 8.90 C ATOM 1096 CD GLN A 73 16.249 3.283 -20.364 1.00 9.66 C ATOM 1097 OE1 GLN A 73 16.740 3.567 -21.440 1.00 10.27 O ATOM 1098 NE2 GLN A 73 16.547 2.137 -19.795 1.00 10.09 N ATOM 0 H GLN A 73 11.606 2.774 -17.690 1.00 5.15 H new ATOM 0 HA GLN A 73 13.468 4.766 -18.022 1.00 6.42 H new ATOM 0 HB2 GLN A 73 13.796 2.662 -20.037 1.00 6.85 H new ATOM 0 HB3 GLN A 73 13.400 4.213 -20.750 1.00 6.85 H new ATOM 0 HG2 GLN A 73 15.376 5.219 -20.029 1.00 8.90 H new ATOM 0 HG3 GLN A 73 15.490 4.228 -18.588 1.00 8.90 H new ATOM 0 HE21 GLN A 73 16.138 1.894 -18.893 1.00 10.09 H new ATOM 0 HE22 GLN A 73 17.187 1.490 -20.255 1.00 10.09 H new TER 1107 GLN A 73