USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 558 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 31 GLN : amide:sc= -0.133 K(o=0.94,f=-2.2) USER MOD Set 1.2: A 33 TYR OH : rot 140:sc= 1.07 USER MOD Set 2.1: A 20 CYS SG : rot 121:sc= 0.839 USER MOD Set 2.2: A 24 CYS SG : rot -57:sc= 0.834 USER MOD Set 3.1: A 13 CYS SG : rot 180:sc= 0.505 USER MOD Set 3.2: A 15 SER OG : rot 89:sc= 0.358 USER MOD Single : A 1 ALA N :NH3+ 166:sc= 1.73 (180deg=1.28) USER MOD Single : A 2 TYR OH : rot 39:sc= 1.17 USER MOD Single : A 5 THR OG1 : rot -60:sc= 0.975 USER MOD Single : A 8 CYS SG : rot -8:sc= 0.0975 USER MOD Single : A 11 THR OG1 : rot -29:sc= 1.27 USER MOD Single : A 12 LYS NZ :NH3+ -147:sc= 2.42 (180deg=2.26) USER MOD Single : A 16 CYS SG : rot 49:sc= 0.027 USER MOD Single : A 26 HIS : no HE2:sc= -0.496 X(o=-0.5,f=-0.62) USER MOD Single : A 32 TYR OH : rot -22:sc= 1.27 USER MOD Single : A 39 CYS SG : rot 170:sc= 0.023 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.722 USER MOD Single : A 45 CYS SG : rot 180:sc= -0.133 USER MOD Single : A 49 CYS SG : rot 160:sc= -1.31 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 91:sc= 1.05 USER MOD Single : A 56 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4.6!) USER MOD Single : A 65 LYS NZ :NH3+ -143:sc= 2.37 (180deg=1.95) USER MOD Single : A 66 SER OG : rot -113:sc= 1.05 USER MOD Single : A 67 TYR OH : rot -161:sc= 1.24 USER MOD Single : A 69 GLN : amide:sc= 0.205 X(o=0.2,f=-0.2) USER MOD Single : A 70 LYS NZ :NH3+ -132:sc= 2.83 (180deg=1.87) USER MOD Single : A 71 ASN : amide:sc= -0.61 X(o=-0.61,f=-0.87) USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= 1.65! (180deg=1.54!) USER MOD Single : A 77 LYS NZ :NH3+ -175:sc= 1.86 (180deg=1.68) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.393 3.144 7.742 1.00 0.00 N ATOM 2 CA ALA A 1 -6.006 3.146 6.333 1.00 0.00 C ATOM 3 C ALA A 1 -5.220 1.863 6.024 1.00 0.00 C ATOM 4 O ALA A 1 -4.850 1.144 6.957 1.00 0.00 O ATOM 5 CB ALA A 1 -5.268 4.446 6.066 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.710 4.096 8.016 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.167 2.465 7.888 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.577 2.870 8.326 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.856 3.123 5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.963 4.483 5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.925 5.288 6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.386 4.501 6.704 1.00 0.00 H new ATOM 13 N TYR A 2 -5.019 1.527 4.743 1.00 0.00 N ATOM 14 CA TYR A 2 -4.281 0.334 4.325 1.00 0.00 C ATOM 15 C TYR A 2 -2.896 0.751 3.844 1.00 0.00 C ATOM 16 O TYR A 2 -2.742 1.826 3.270 1.00 0.00 O ATOM 17 CB TYR A 2 -5.022 -0.417 3.214 1.00 0.00 C ATOM 18 CG TYR A 2 -6.330 -1.064 3.632 1.00 0.00 C ATOM 19 CD1 TYR A 2 -7.456 -0.255 3.865 1.00 0.00 C ATOM 20 CD2 TYR A 2 -6.454 -2.468 3.696 1.00 0.00 C ATOM 21 CE1 TYR A 2 -8.701 -0.844 4.121 1.00 0.00 C ATOM 22 CE2 TYR A 2 -7.716 -3.053 3.907 1.00 0.00 C ATOM 23 CZ TYR A 2 -8.849 -2.236 4.050 1.00 0.00 C ATOM 24 OH TYR A 2 -10.095 -2.781 4.018 1.00 0.00 O ATOM 0 H TYR A 2 -5.369 2.083 3.962 1.00 0.00 H new ATOM 0 HA TYR A 2 -4.192 -0.341 5.176 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.223 0.278 2.399 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -4.363 -1.190 2.818 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.361 0.821 3.847 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.581 -3.093 3.583 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -9.549 -0.224 4.374 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -7.813 -4.127 3.959 1.00 0.00 H new ATOM 0 HH TYR A 2 -10.683 -2.221 3.469 1.00 0.00 H new ATOM 34 N VAL A 3 -1.892 -0.095 4.081 1.00 0.00 N ATOM 35 CA VAL A 3 -0.507 0.144 3.691 1.00 0.00 C ATOM 36 C VAL A 3 0.099 -1.085 2.996 1.00 0.00 C ATOM 37 O VAL A 3 -0.167 -2.225 3.379 1.00 0.00 O ATOM 38 CB VAL A 3 0.297 0.598 4.925 1.00 0.00 C ATOM 39 CG1 VAL A 3 1.803 0.523 4.669 1.00 0.00 C ATOM 40 CG2 VAL A 3 -0.080 2.043 5.278 1.00 0.00 C ATOM 0 H VAL A 3 -2.026 -0.985 4.561 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.467 0.946 2.953 1.00 0.00 H new ATOM 0 HB VAL A 3 0.054 -0.071 5.751 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.340 0.850 5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.081 -0.504 4.434 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.062 1.170 3.831 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.488 2.364 6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.149 2.695 4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.146 2.097 5.499 1.00 0.00 H new ATOM 50 N ILE A 4 0.919 -0.817 1.971 1.00 0.00 N ATOM 51 CA ILE A 4 1.744 -1.780 1.249 1.00 0.00 C ATOM 52 C ILE A 4 2.969 -2.129 2.098 1.00 0.00 C ATOM 53 O ILE A 4 3.562 -1.242 2.714 1.00 0.00 O ATOM 54 CB ILE A 4 2.166 -1.169 -0.106 1.00 0.00 C ATOM 55 CG1 ILE A 4 0.943 -1.127 -1.034 1.00 0.00 C ATOM 56 CG2 ILE A 4 3.276 -1.999 -0.767 1.00 0.00 C ATOM 57 CD1 ILE A 4 1.111 -0.239 -2.265 1.00 0.00 C ATOM 0 H ILE A 4 1.026 0.130 1.608 1.00 0.00 H new ATOM 0 HA ILE A 4 1.182 -2.695 1.058 1.00 0.00 H new ATOM 0 HB ILE A 4 2.549 -0.164 0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.717 -2.142 -1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.082 -0.777 -0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.552 -1.545 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.147 -2.028 -0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 4 2.918 -3.014 -0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.200 -0.269 -2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.304 0.786 -1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.949 -0.599 -2.862 1.00 0.00 H new ATOM 69 N THR A 5 3.358 -3.408 2.109 1.00 0.00 N ATOM 70 CA THR A 5 4.533 -3.890 2.822 1.00 0.00 C ATOM 71 C THR A 5 5.457 -4.684 1.897 1.00 0.00 C ATOM 72 O THR A 5 5.115 -4.973 0.749 1.00 0.00 O ATOM 73 CB THR A 5 4.089 -4.748 4.017 1.00 0.00 C ATOM 74 OG1 THR A 5 3.251 -5.812 3.610 1.00 0.00 O ATOM 75 CG2 THR A 5 3.351 -3.899 5.050 1.00 0.00 C ATOM 0 H THR A 5 2.854 -4.144 1.614 1.00 0.00 H new ATOM 0 HA THR A 5 5.098 -3.032 3.186 1.00 0.00 H new ATOM 0 HB THR A 5 4.992 -5.163 4.464 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.453 -5.450 3.172 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.046 -4.528 5.887 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.011 -3.110 5.410 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.469 -3.453 4.591 1.00 0.00 H new ATOM 83 N GLU A 6 6.614 -5.056 2.457 1.00 0.00 N ATOM 84 CA GLU A 6 7.624 -5.976 1.949 1.00 0.00 C ATOM 85 C GLU A 6 7.194 -6.838 0.749 1.00 0.00 C ATOM 86 O GLU A 6 7.831 -6.740 -0.300 1.00 0.00 O ATOM 87 CB GLU A 6 8.176 -6.788 3.126 1.00 0.00 C ATOM 88 CG GLU A 6 9.645 -7.159 2.971 1.00 0.00 C ATOM 89 CD GLU A 6 10.518 -6.515 4.044 1.00 0.00 C ATOM 90 OE1 GLU A 6 10.856 -5.328 3.854 1.00 0.00 O ATOM 91 OE2 GLU A 6 10.767 -7.187 5.069 1.00 0.00 O ATOM 0 H GLU A 6 6.888 -4.681 3.365 1.00 0.00 H new ATOM 0 HA GLU A 6 8.422 -5.378 1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.049 -6.215 4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.589 -7.700 3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.752 -8.243 3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.994 -6.849 1.986 1.00 0.00 H new ATOM 98 N PRO A 7 6.146 -7.680 0.835 1.00 0.00 N ATOM 99 CA PRO A 7 5.869 -8.648 -0.215 1.00 0.00 C ATOM 100 C PRO A 7 5.485 -8.023 -1.562 1.00 0.00 C ATOM 101 O PRO A 7 5.454 -8.735 -2.564 1.00 0.00 O ATOM 102 CB PRO A 7 4.770 -9.569 0.335 1.00 0.00 C ATOM 103 CG PRO A 7 4.829 -9.346 1.847 1.00 0.00 C ATOM 104 CD PRO A 7 5.197 -7.869 1.923 1.00 0.00 C ATOM 0 HA PRO A 7 6.777 -9.202 -0.451 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.792 -9.310 -0.070 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.956 -10.612 0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.875 -9.556 2.330 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.575 -9.980 2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.320 -7.233 1.801 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.641 -7.618 2.886 1.00 0.00 H new ATOM 112 N CYS A 8 5.188 -6.717 -1.613 1.00 0.00 N ATOM 113 CA CYS A 8 4.978 -6.020 -2.876 1.00 0.00 C ATOM 114 C CYS A 8 6.285 -5.860 -3.668 1.00 0.00 C ATOM 115 O CYS A 8 6.244 -5.873 -4.898 1.00 0.00 O ATOM 116 CB CYS A 8 4.351 -4.677 -2.609 1.00 0.00 C ATOM 117 SG CYS A 8 4.274 -3.568 -4.038 1.00 0.00 S ATOM 0 H CYS A 8 5.089 -6.126 -0.788 1.00 0.00 H new ATOM 0 HA CYS A 8 4.307 -6.621 -3.489 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.339 -4.834 -2.235 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.911 -4.183 -1.815 1.00 0.00 H new ATOM 0 HG CYS A 8 4.951 -4.081 -5.022 1.00 0.00 H new ATOM 122 N ILE A 9 7.431 -5.682 -2.987 1.00 0.00 N ATOM 123 CA ILE A 9 8.700 -5.385 -3.651 1.00 0.00 C ATOM 124 C ILE A 9 8.955 -6.410 -4.765 1.00 0.00 C ATOM 125 O ILE A 9 8.872 -7.616 -4.530 1.00 0.00 O ATOM 126 CB ILE A 9 9.851 -5.265 -2.623 1.00 0.00 C ATOM 127 CG1 ILE A 9 9.842 -3.883 -1.935 1.00 0.00 C ATOM 128 CG2 ILE A 9 11.230 -5.453 -3.276 1.00 0.00 C ATOM 129 CD1 ILE A 9 9.150 -3.910 -0.579 1.00 0.00 C ATOM 0 H ILE A 9 7.498 -5.740 -1.971 1.00 0.00 H new ATOM 0 HA ILE A 9 8.648 -4.409 -4.134 1.00 0.00 H new ATOM 0 HB ILE A 9 9.683 -6.056 -1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.868 -3.537 -1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.340 -3.163 -2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.007 -5.361 -2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.284 -6.441 -3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.377 -4.691 -4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.172 -2.913 -0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.115 -4.228 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.667 -4.608 0.079 1.00 0.00 H new ATOM 141 N GLY A 10 9.232 -5.930 -5.982 1.00 0.00 N ATOM 142 CA GLY A 10 9.279 -6.764 -7.173 1.00 0.00 C ATOM 143 C GLY A 10 8.923 -5.979 -8.436 1.00 0.00 C ATOM 144 O GLY A 10 8.123 -6.435 -9.250 1.00 0.00 O ATOM 0 H GLY A 10 9.430 -4.946 -6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.277 -7.188 -7.279 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.588 -7.599 -7.058 1.00 0.00 H new ATOM 148 N THR A 11 9.544 -4.815 -8.611 1.00 0.00 N ATOM 149 CA THR A 11 9.546 -4.009 -9.813 1.00 0.00 C ATOM 150 C THR A 11 8.171 -3.677 -10.410 1.00 0.00 C ATOM 151 O THR A 11 7.671 -4.311 -11.340 1.00 0.00 O ATOM 152 CB THR A 11 10.564 -4.616 -10.770 1.00 0.00 C ATOM 153 OG1 THR A 11 11.789 -4.831 -10.088 1.00 0.00 O ATOM 154 CG2 THR A 11 10.842 -3.718 -11.975 1.00 0.00 C ATOM 0 H THR A 11 10.093 -4.389 -7.864 1.00 0.00 H new ATOM 0 HA THR A 11 9.859 -2.997 -9.558 1.00 0.00 H new ATOM 0 HB THR A 11 10.140 -5.553 -11.130 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.885 -4.170 -9.371 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.574 -4.197 -12.625 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.917 -3.555 -12.528 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.233 -2.760 -11.632 1.00 0.00 H new ATOM 162 N LYS A 12 7.615 -2.580 -9.901 1.00 0.00 N ATOM 163 CA LYS A 12 6.456 -1.845 -10.375 1.00 0.00 C ATOM 164 C LYS A 12 5.135 -2.556 -10.093 1.00 0.00 C ATOM 165 O LYS A 12 4.332 -2.000 -9.350 1.00 0.00 O ATOM 166 CB LYS A 12 6.627 -1.417 -11.842 1.00 0.00 C ATOM 167 CG LYS A 12 7.906 -0.583 -12.062 1.00 0.00 C ATOM 168 CD LYS A 12 7.596 0.917 -12.116 1.00 0.00 C ATOM 169 CE LYS A 12 8.870 1.755 -12.332 1.00 0.00 C ATOM 170 NZ LYS A 12 9.131 2.676 -11.208 1.00 0.00 N ATOM 0 H LYS A 12 8.007 -2.146 -9.065 1.00 0.00 H new ATOM 0 HA LYS A 12 6.398 -0.928 -9.789 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.660 -2.303 -12.475 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.759 -0.836 -12.152 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.613 -0.781 -11.257 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.387 -0.890 -12.991 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.890 1.114 -12.923 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.113 1.222 -11.188 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.723 1.089 -12.459 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.773 2.328 -13.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.578 3.544 -11.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.234 2.917 -10.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.765 2.217 -10.523 1.00 0.00 H new ATOM 184 N CYS A 13 4.892 -3.733 -10.686 1.00 0.00 N ATOM 185 CA CYS A 13 3.601 -4.443 -10.669 1.00 0.00 C ATOM 186 C CYS A 13 2.474 -3.616 -11.318 1.00 0.00 C ATOM 187 O CYS A 13 1.967 -3.980 -12.377 1.00 0.00 O ATOM 188 CB CYS A 13 3.242 -4.917 -9.279 1.00 0.00 C ATOM 189 SG CYS A 13 1.484 -5.242 -9.005 1.00 0.00 S ATOM 0 H CYS A 13 5.610 -4.235 -11.208 1.00 0.00 H new ATOM 0 HA CYS A 13 3.718 -5.335 -11.285 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.801 -5.829 -9.068 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.573 -4.167 -8.560 1.00 0.00 H new ATOM 0 HG CYS A 13 1.302 -5.643 -7.782 1.00 0.00 H new ATOM 194 N ALA A 14 2.090 -2.503 -10.686 1.00 0.00 N ATOM 195 CA ALA A 14 1.163 -1.499 -11.191 1.00 0.00 C ATOM 196 C ALA A 14 -0.271 -2.018 -11.342 1.00 0.00 C ATOM 197 O ALA A 14 -0.998 -1.569 -12.226 1.00 0.00 O ATOM 198 CB ALA A 14 1.705 -0.872 -12.483 1.00 0.00 C ATOM 0 H ALA A 14 2.440 -2.270 -9.757 1.00 0.00 H new ATOM 0 HA ALA A 14 1.095 -0.714 -10.438 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.001 -0.124 -12.848 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.666 -0.398 -12.282 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.833 -1.648 -13.238 1.00 0.00 H new ATOM 204 N SER A 15 -0.702 -2.915 -10.449 1.00 0.00 N ATOM 205 CA SER A 15 -2.092 -3.369 -10.389 1.00 0.00 C ATOM 206 C SER A 15 -2.926 -2.483 -9.454 1.00 0.00 C ATOM 207 O SER A 15 -4.013 -2.044 -9.829 1.00 0.00 O ATOM 208 CB SER A 15 -2.158 -4.845 -9.986 1.00 0.00 C ATOM 209 OG SER A 15 -1.361 -5.617 -10.862 1.00 0.00 O ATOM 0 H SER A 15 -0.097 -3.345 -9.749 1.00 0.00 H new ATOM 0 HA SER A 15 -2.527 -3.278 -11.384 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.810 -4.967 -8.960 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.190 -5.194 -10.016 1.00 0.00 H new ATOM 0 HG SER A 15 -0.443 -5.656 -10.521 1.00 0.00 H new ATOM 215 N CYS A 16 -2.424 -2.200 -8.245 1.00 0.00 N ATOM 216 CA CYS A 16 -3.064 -1.281 -7.306 1.00 0.00 C ATOM 217 C CYS A 16 -2.884 0.165 -7.804 1.00 0.00 C ATOM 218 O CYS A 16 -2.127 0.953 -7.241 1.00 0.00 O ATOM 219 CB CYS A 16 -2.582 -1.506 -5.881 1.00 0.00 C ATOM 220 SG CYS A 16 -0.803 -1.440 -5.568 1.00 0.00 S ATOM 0 H CYS A 16 -1.557 -2.607 -7.893 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.135 -1.480 -7.270 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.061 -0.762 -5.245 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.942 -2.482 -5.557 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.307 -0.366 -6.106 1.00 0.00 H new ATOM 225 N VAL A 17 -3.573 0.501 -8.902 1.00 0.00 N ATOM 226 CA VAL A 17 -3.513 1.807 -9.549 1.00 0.00 C ATOM 227 C VAL A 17 -4.934 2.344 -9.756 1.00 0.00 C ATOM 228 O VAL A 17 -5.533 2.876 -8.823 1.00 0.00 O ATOM 229 CB VAL A 17 -2.651 1.747 -10.821 1.00 0.00 C ATOM 230 CG1 VAL A 17 -2.514 3.122 -11.494 1.00 0.00 C ATOM 231 CG2 VAL A 17 -1.240 1.251 -10.489 1.00 0.00 C ATOM 0 H VAL A 17 -4.202 -0.149 -9.373 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.009 2.530 -8.907 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.156 1.062 -11.502 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.897 3.030 -12.388 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.501 3.491 -11.771 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.046 3.821 -10.801 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.643 1.215 -11.400 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.773 1.931 -9.777 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.298 0.254 -10.053 1.00 0.00 H new ATOM 241 N GLU A 18 -5.511 2.156 -10.948 1.00 0.00 N ATOM 242 CA GLU A 18 -6.756 2.778 -11.402 1.00 0.00 C ATOM 243 C GLU A 18 -8.031 2.269 -10.709 1.00 0.00 C ATOM 244 O GLU A 18 -9.123 2.366 -11.263 1.00 0.00 O ATOM 245 CB GLU A 18 -6.831 2.639 -12.930 1.00 0.00 C ATOM 246 CG GLU A 18 -6.796 1.180 -13.412 1.00 0.00 C ATOM 247 CD GLU A 18 -6.931 1.101 -14.927 1.00 0.00 C ATOM 248 OE1 GLU A 18 -6.042 1.667 -15.598 1.00 0.00 O ATOM 249 OE2 GLU A 18 -7.916 0.483 -15.383 1.00 0.00 O ATOM 0 H GLU A 18 -5.104 1.539 -11.651 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.722 3.828 -11.112 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.748 3.110 -13.286 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.999 3.182 -13.378 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.861 0.713 -13.102 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.603 0.619 -12.942 1.00 0.00 H new ATOM 256 N VAL A 19 -7.902 1.744 -9.491 1.00 0.00 N ATOM 257 CA VAL A 19 -8.984 1.214 -8.684 1.00 0.00 C ATOM 258 C VAL A 19 -9.257 2.098 -7.463 1.00 0.00 C ATOM 259 O VAL A 19 -10.369 2.066 -6.940 1.00 0.00 O ATOM 260 CB VAL A 19 -8.672 -0.242 -8.295 1.00 0.00 C ATOM 261 CG1 VAL A 19 -8.602 -1.110 -9.561 1.00 0.00 C ATOM 262 CG2 VAL A 19 -7.378 -0.397 -7.475 1.00 0.00 C ATOM 0 H VAL A 19 -6.997 1.677 -9.025 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.902 1.218 -9.272 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.484 -0.575 -7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.381 -2.141 -9.284 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.559 -1.072 -10.082 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.817 -0.734 -10.217 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.222 -1.449 -7.237 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.533 -0.027 -8.056 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.462 0.176 -6.551 1.00 0.00 H new ATOM 272 N CYS A 20 -8.272 2.870 -6.979 1.00 0.00 N ATOM 273 CA CYS A 20 -8.455 3.603 -5.731 1.00 0.00 C ATOM 274 C CYS A 20 -9.387 4.811 -5.939 1.00 0.00 C ATOM 275 O CYS A 20 -9.073 5.694 -6.739 1.00 0.00 O ATOM 276 CB CYS A 20 -7.143 4.034 -5.142 1.00 0.00 C ATOM 277 SG CYS A 20 -7.226 4.984 -3.603 1.00 0.00 S ATOM 0 H CYS A 20 -7.364 2.997 -7.425 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.924 2.925 -5.018 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.540 3.144 -4.962 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.615 4.632 -5.885 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.573 4.357 -2.670 1.00 0.00 H new ATOM 282 N PRO A 21 -10.508 4.883 -5.200 1.00 0.00 N ATOM 283 CA PRO A 21 -11.476 5.971 -5.244 1.00 0.00 C ATOM 284 C PRO A 21 -10.850 7.366 -5.234 1.00 0.00 C ATOM 285 O PRO A 21 -11.370 8.275 -5.876 1.00 0.00 O ATOM 286 CB PRO A 21 -12.357 5.785 -4.003 1.00 0.00 C ATOM 287 CG PRO A 21 -12.293 4.286 -3.737 1.00 0.00 C ATOM 288 CD PRO A 21 -10.882 3.917 -4.188 1.00 0.00 C ATOM 0 HA PRO A 21 -12.029 5.922 -6.182 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.982 6.359 -3.156 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.379 6.116 -4.184 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.453 4.056 -2.684 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -13.052 3.743 -4.301 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.187 3.945 -3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.856 2.904 -4.590 1.00 0.00 H new ATOM 296 N VAL A 22 -9.774 7.541 -4.460 1.00 0.00 N ATOM 297 CA VAL A 22 -9.148 8.834 -4.217 1.00 0.00 C ATOM 298 C VAL A 22 -7.718 8.887 -4.768 1.00 0.00 C ATOM 299 O VAL A 22 -6.961 9.767 -4.365 1.00 0.00 O ATOM 300 CB VAL A 22 -9.219 9.166 -2.712 1.00 0.00 C ATOM 301 CG1 VAL A 22 -10.670 9.409 -2.279 1.00 0.00 C ATOM 302 CG2 VAL A 22 -8.600 8.064 -1.841 1.00 0.00 C ATOM 0 H VAL A 22 -9.309 6.771 -3.979 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.699 9.603 -4.759 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.636 10.075 -2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.698 9.642 -1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.083 10.245 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.262 8.514 -2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.675 8.345 -0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.134 7.128 -2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.551 7.935 -2.108 1.00 0.00 H new ATOM 312 N ASP A 23 -7.365 7.979 -5.691 1.00 0.00 N ATOM 313 CA ASP A 23 -6.104 7.993 -6.434 1.00 0.00 C ATOM 314 C ASP A 23 -4.894 8.322 -5.542 1.00 0.00 C ATOM 315 O ASP A 23 -4.116 9.229 -5.828 1.00 0.00 O ATOM 316 CB ASP A 23 -6.242 8.950 -7.630 1.00 0.00 C ATOM 317 CG ASP A 23 -5.052 8.889 -8.583 1.00 0.00 C ATOM 318 OD1 ASP A 23 -4.454 7.798 -8.683 1.00 0.00 O ATOM 319 OD2 ASP A 23 -4.797 9.926 -9.234 1.00 0.00 O ATOM 0 H ASP A 23 -7.967 7.196 -5.945 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.904 6.990 -6.810 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.152 8.708 -8.178 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.353 9.970 -7.261 1.00 0.00 H new ATOM 324 N CYS A 24 -4.749 7.586 -4.432 1.00 0.00 N ATOM 325 CA CYS A 24 -3.684 7.811 -3.450 1.00 0.00 C ATOM 326 C CYS A 24 -2.616 6.716 -3.510 1.00 0.00 C ATOM 327 O CYS A 24 -1.933 6.449 -2.522 1.00 0.00 O ATOM 328 CB CYS A 24 -4.250 7.964 -2.034 1.00 0.00 C ATOM 329 SG CYS A 24 -4.816 6.384 -1.359 1.00 0.00 S ATOM 0 H CYS A 24 -5.371 6.815 -4.190 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.198 8.750 -3.713 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.485 8.385 -1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.080 8.670 -2.049 1.00 0.00 H new ATOM 0 HG CYS A 24 -5.711 5.870 -2.150 1.00 0.00 H new ATOM 335 N ILE A 25 -2.462 6.100 -4.683 1.00 0.00 N ATOM 336 CA ILE A 25 -1.478 5.068 -4.969 1.00 0.00 C ATOM 337 C ILE A 25 -0.342 5.675 -5.800 1.00 0.00 C ATOM 338 O ILE A 25 -0.577 6.338 -6.807 1.00 0.00 O ATOM 339 CB ILE A 25 -2.145 3.836 -5.622 1.00 0.00 C ATOM 340 CG1 ILE A 25 -3.410 4.103 -6.458 1.00 0.00 C ATOM 341 CG2 ILE A 25 -2.550 2.848 -4.521 1.00 0.00 C ATOM 342 CD1 ILE A 25 -3.166 4.994 -7.680 1.00 0.00 C ATOM 0 H ILE A 25 -3.046 6.319 -5.490 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.036 4.697 -4.044 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.390 3.459 -6.312 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.822 3.150 -6.791 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.162 4.571 -5.823 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.022 1.975 -4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.664 2.537 -3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.252 3.329 -3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.103 5.137 -8.219 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.783 5.961 -7.354 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.438 4.519 -8.337 1.00 0.00 H new ATOM 354 N HIS A 26 0.900 5.508 -5.344 1.00 0.00 N ATOM 355 CA HIS A 26 2.086 6.163 -5.853 1.00 0.00 C ATOM 356 C HIS A 26 3.192 5.121 -5.945 1.00 0.00 C ATOM 357 O HIS A 26 3.018 4.037 -5.411 1.00 0.00 O ATOM 358 CB HIS A 26 2.460 7.222 -4.817 1.00 0.00 C ATOM 359 CG HIS A 26 1.341 8.209 -4.582 1.00 0.00 C ATOM 360 ND1 HIS A 26 0.796 9.047 -5.530 1.00 0.00 N ATOM 361 CD2 HIS A 26 0.523 8.250 -3.484 1.00 0.00 C ATOM 362 CE1 HIS A 26 -0.305 9.605 -4.996 1.00 0.00 C ATOM 363 NE2 HIS A 26 -0.506 9.157 -3.747 1.00 0.00 N ATOM 0 H HIS A 26 1.107 4.878 -4.569 1.00 0.00 H new ATOM 0 HA HIS A 26 1.932 6.612 -6.834 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.715 6.734 -3.876 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.350 7.756 -5.151 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.161 9.214 -6.468 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.651 7.681 -2.575 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.940 10.316 -5.503 1.00 0.00 H new ATOM 371 N GLU A 27 4.329 5.432 -6.570 1.00 0.00 N ATOM 372 CA GLU A 27 5.520 4.594 -6.532 1.00 0.00 C ATOM 373 C GLU A 27 6.568 5.085 -5.542 1.00 0.00 C ATOM 374 O GLU A 27 6.641 6.263 -5.197 1.00 0.00 O ATOM 375 CB GLU A 27 6.162 4.492 -7.920 1.00 0.00 C ATOM 376 CG GLU A 27 5.330 3.528 -8.755 1.00 0.00 C ATOM 377 CD GLU A 27 5.773 3.451 -10.207 1.00 0.00 C ATOM 378 OE1 GLU A 27 6.916 3.877 -10.484 1.00 0.00 O ATOM 379 OE2 GLU A 27 4.995 2.903 -11.015 1.00 0.00 O ATOM 0 H GLU A 27 4.446 6.282 -7.121 1.00 0.00 H new ATOM 0 HA GLU A 27 5.179 3.614 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.200 5.472 -8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.189 4.137 -7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.386 2.534 -8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.285 3.835 -8.717 1.00 0.00 H new ATOM 386 N GLY A 28 7.392 4.122 -5.140 1.00 0.00 N ATOM 387 CA GLY A 28 8.630 4.256 -4.408 1.00 0.00 C ATOM 388 C GLY A 28 9.569 3.321 -5.157 1.00 0.00 C ATOM 389 O GLY A 28 9.818 2.198 -4.717 1.00 0.00 O ATOM 0 H GLY A 28 7.184 3.144 -5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.994 5.284 -4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.516 3.964 -3.364 1.00 0.00 H new ATOM 393 N GLU A 29 9.975 3.776 -6.345 1.00 0.00 N ATOM 394 CA GLU A 29 10.947 3.254 -7.287 1.00 0.00 C ATOM 395 C GLU A 29 10.566 1.877 -7.819 1.00 0.00 C ATOM 396 O GLU A 29 10.273 1.717 -9.006 1.00 0.00 O ATOM 397 CB GLU A 29 12.359 3.327 -6.681 1.00 0.00 C ATOM 398 CG GLU A 29 12.834 4.783 -6.494 1.00 0.00 C ATOM 399 CD GLU A 29 11.977 5.583 -5.518 1.00 0.00 C ATOM 400 OE1 GLU A 29 12.249 5.492 -4.303 1.00 0.00 O ATOM 401 OE2 GLU A 29 11.006 6.208 -6.005 1.00 0.00 O ATOM 0 H GLU A 29 9.568 4.637 -6.710 1.00 0.00 H new ATOM 0 HA GLU A 29 10.950 3.888 -8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.367 2.817 -5.718 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.059 2.798 -7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.865 4.778 -6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.832 5.284 -7.462 1.00 0.00 H new ATOM 408 N ASP A 30 10.577 0.897 -6.926 1.00 0.00 N ATOM 409 CA ASP A 30 10.363 -0.516 -7.222 1.00 0.00 C ATOM 410 C ASP A 30 8.957 -0.985 -6.846 1.00 0.00 C ATOM 411 O ASP A 30 8.496 -1.988 -7.376 1.00 0.00 O ATOM 412 CB ASP A 30 11.416 -1.377 -6.511 1.00 0.00 C ATOM 413 CG ASP A 30 11.316 -2.833 -6.958 1.00 0.00 C ATOM 414 OD1 ASP A 30 11.904 -3.158 -8.012 1.00 0.00 O ATOM 415 OD2 ASP A 30 10.602 -3.618 -6.295 1.00 0.00 O ATOM 0 H ASP A 30 10.742 1.070 -5.934 1.00 0.00 H new ATOM 0 HA ASP A 30 10.466 -0.635 -8.301 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.413 -0.993 -6.727 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.277 -1.313 -5.432 1.00 0.00 H new ATOM 420 N GLN A 31 8.248 -0.290 -5.953 1.00 0.00 N ATOM 421 CA GLN A 31 7.009 -0.791 -5.390 1.00 0.00 C ATOM 422 C GLN A 31 6.021 0.358 -5.320 1.00 0.00 C ATOM 423 O GLN A 31 6.429 1.518 -5.390 1.00 0.00 O ATOM 424 CB GLN A 31 7.293 -1.353 -3.994 1.00 0.00 C ATOM 425 CG GLN A 31 8.109 -0.363 -3.141 1.00 0.00 C ATOM 426 CD GLN A 31 7.787 -0.444 -1.659 1.00 0.00 C ATOM 427 OE1 GLN A 31 8.667 -0.500 -0.805 1.00 0.00 O ATOM 428 NE2 GLN A 31 6.509 -0.335 -1.339 1.00 0.00 N ATOM 0 H GLN A 31 8.521 0.630 -5.607 1.00 0.00 H new ATOM 0 HA GLN A 31 6.589 -1.586 -6.006 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.351 -1.577 -3.492 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.838 -2.293 -4.083 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.172 -0.558 -3.287 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.920 0.651 -3.492 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.802 -0.291 -2.072 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.230 -0.295 -0.359 1.00 0.00 H new ATOM 437 N TYR A 32 4.740 0.037 -5.150 1.00 0.00 N ATOM 438 CA TYR A 32 3.735 1.054 -4.912 1.00 0.00 C ATOM 439 C TYR A 32 3.733 1.462 -3.439 1.00 0.00 C ATOM 440 O TYR A 32 4.305 0.775 -2.593 1.00 0.00 O ATOM 441 CB TYR A 32 2.358 0.620 -5.432 1.00 0.00 C ATOM 442 CG TYR A 32 2.144 1.012 -6.882 1.00 0.00 C ATOM 443 CD1 TYR A 32 2.973 0.464 -7.877 1.00 0.00 C ATOM 444 CD2 TYR A 32 1.332 2.119 -7.190 1.00 0.00 C ATOM 445 CE1 TYR A 32 3.028 1.047 -9.155 1.00 0.00 C ATOM 446 CE2 TYR A 32 1.396 2.710 -8.464 1.00 0.00 C ATOM 447 CZ TYR A 32 2.256 2.184 -9.440 1.00 0.00 C ATOM 448 OH TYR A 32 2.407 2.834 -10.627 1.00 0.00 O ATOM 0 H TYR A 32 4.381 -0.917 -5.174 1.00 0.00 H new ATOM 0 HA TYR A 32 3.990 1.946 -5.485 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.257 -0.461 -5.331 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.580 1.072 -4.817 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.570 -0.409 -7.658 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.658 2.516 -6.446 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.664 0.620 -9.917 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.783 3.569 -8.692 1.00 0.00 H new ATOM 0 HH TYR A 32 3.290 2.631 -11.001 1.00 0.00 H new ATOM 458 N TYR A 33 3.096 2.597 -3.160 1.00 0.00 N ATOM 459 CA TYR A 33 2.958 3.235 -1.870 1.00 0.00 C ATOM 460 C TYR A 33 1.563 3.847 -1.848 1.00 0.00 C ATOM 461 O TYR A 33 1.246 4.664 -2.710 1.00 0.00 O ATOM 462 CB TYR A 33 4.037 4.318 -1.738 1.00 0.00 C ATOM 463 CG TYR A 33 5.296 3.808 -1.070 1.00 0.00 C ATOM 464 CD1 TYR A 33 5.367 3.771 0.332 1.00 0.00 C ATOM 465 CD2 TYR A 33 6.328 3.234 -1.831 1.00 0.00 C ATOM 466 CE1 TYR A 33 6.414 3.089 0.973 1.00 0.00 C ATOM 467 CE2 TYR A 33 7.421 2.630 -1.186 1.00 0.00 C ATOM 468 CZ TYR A 33 7.405 2.460 0.207 1.00 0.00 C ATOM 469 OH TYR A 33 8.376 1.731 0.827 1.00 0.00 O ATOM 0 H TYR A 33 2.629 3.130 -3.894 1.00 0.00 H new ATOM 0 HA TYR A 33 3.080 2.538 -1.041 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.285 4.701 -2.728 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.639 5.154 -1.163 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.612 4.270 0.921 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.282 3.257 -2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.455 3.049 2.051 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.272 2.297 -1.762 1.00 0.00 H new ATOM 0 HH TYR A 33 8.559 0.921 0.307 1.00 0.00 H new ATOM 479 N ILE A 34 0.727 3.437 -0.896 1.00 0.00 N ATOM 480 CA ILE A 34 -0.581 4.009 -0.659 1.00 0.00 C ATOM 481 C ILE A 34 -0.384 5.160 0.328 1.00 0.00 C ATOM 482 O ILE A 34 0.332 4.960 1.306 1.00 0.00 O ATOM 483 CB ILE A 34 -1.515 2.923 -0.077 1.00 0.00 C ATOM 484 CG1 ILE A 34 -1.981 1.937 -1.172 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.725 3.566 0.621 1.00 0.00 C ATOM 486 CD1 ILE A 34 -2.618 0.667 -0.596 1.00 0.00 C ATOM 0 H ILE A 34 0.954 2.677 -0.255 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.039 4.378 -1.577 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.948 2.358 0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.700 2.436 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.129 1.661 -1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.370 2.785 1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.379 4.206 1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.285 4.164 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.926 0.012 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.893 0.149 0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.489 0.936 0.002 1.00 0.00 H new ATOM 498 N ASP A 35 -0.982 6.343 0.121 1.00 0.00 N ATOM 499 CA ASP A 35 -0.988 7.328 1.201 1.00 0.00 C ATOM 500 C ASP A 35 -2.063 6.879 2.192 1.00 0.00 C ATOM 501 O ASP A 35 -3.245 6.929 1.842 1.00 0.00 O ATOM 502 CB ASP A 35 -1.296 8.770 0.775 1.00 0.00 C ATOM 503 CG ASP A 35 -0.956 9.712 1.925 1.00 0.00 C ATOM 504 OD1 ASP A 35 -1.167 9.333 3.092 1.00 0.00 O ATOM 505 OD2 ASP A 35 -0.402 10.808 1.711 1.00 0.00 O ATOM 0 H ASP A 35 -1.445 6.628 -0.742 1.00 0.00 H new ATOM 0 HA ASP A 35 0.020 7.359 1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.717 9.033 -0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.348 8.867 0.508 1.00 0.00 H new ATOM 510 N PRO A 36 -1.709 6.453 3.411 1.00 0.00 N ATOM 511 CA PRO A 36 -2.692 6.038 4.387 1.00 0.00 C ATOM 512 C PRO A 36 -3.539 7.226 4.842 1.00 0.00 C ATOM 513 O PRO A 36 -4.680 7.066 5.251 1.00 0.00 O ATOM 514 CB PRO A 36 -1.877 5.466 5.543 1.00 0.00 C ATOM 515 CG PRO A 36 -0.565 6.244 5.483 1.00 0.00 C ATOM 516 CD PRO A 36 -0.375 6.431 3.984 1.00 0.00 C ATOM 0 HA PRO A 36 -3.392 5.307 3.983 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.383 5.608 6.498 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.713 4.395 5.425 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.632 7.197 6.008 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.259 5.690 5.933 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.157 7.358 3.771 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.218 5.620 3.562 1.00 0.00 H new ATOM 524 N ASP A 37 -2.980 8.431 4.805 1.00 0.00 N ATOM 525 CA ASP A 37 -3.662 9.616 5.283 1.00 0.00 C ATOM 526 C ASP A 37 -4.673 10.100 4.241 1.00 0.00 C ATOM 527 O ASP A 37 -5.658 10.734 4.615 1.00 0.00 O ATOM 528 CB ASP A 37 -2.631 10.666 5.712 1.00 0.00 C ATOM 529 CG ASP A 37 -1.661 10.050 6.710 1.00 0.00 C ATOM 530 OD1 ASP A 37 -2.128 9.588 7.771 1.00 0.00 O ATOM 531 OD2 ASP A 37 -0.454 9.944 6.387 1.00 0.00 O ATOM 0 H ASP A 37 -2.043 8.608 4.443 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.250 9.393 6.173 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.088 11.034 4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.134 11.523 6.160 1.00 0.00 H new ATOM 536 N VAL A 38 -4.467 9.790 2.949 1.00 0.00 N ATOM 537 CA VAL A 38 -5.479 10.055 1.926 1.00 0.00 C ATOM 538 C VAL A 38 -6.443 8.869 1.753 1.00 0.00 C ATOM 539 O VAL A 38 -7.627 9.094 1.509 1.00 0.00 O ATOM 540 CB VAL A 38 -4.838 10.531 0.609 1.00 0.00 C ATOM 541 CG1 VAL A 38 -5.910 10.938 -0.413 1.00 0.00 C ATOM 542 CG2 VAL A 38 -3.932 11.744 0.866 1.00 0.00 C ATOM 0 H VAL A 38 -3.613 9.359 2.596 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.098 10.883 2.272 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.254 9.701 0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.428 11.270 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.552 10.083 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.512 11.750 -0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.485 12.070 -0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.523 12.557 1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.143 11.467 1.566 1.00 0.00 H new ATOM 552 N CYS A 39 -5.978 7.616 1.860 1.00 0.00 N ATOM 553 CA CYS A 39 -6.857 6.446 1.791 1.00 0.00 C ATOM 554 C CYS A 39 -7.984 6.550 2.832 1.00 0.00 C ATOM 555 O CYS A 39 -7.748 6.927 3.977 1.00 0.00 O ATOM 556 CB CYS A 39 -6.061 5.182 2.005 1.00 0.00 C ATOM 557 SG CYS A 39 -7.038 3.677 2.247 1.00 0.00 S ATOM 0 H CYS A 39 -4.993 7.389 1.995 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.309 6.413 0.800 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.407 5.035 1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.418 5.321 2.874 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.255 2.640 2.205 1.00 0.00 H new ATOM 562 N ILE A 40 -9.215 6.217 2.429 1.00 0.00 N ATOM 563 CA ILE A 40 -10.417 6.351 3.247 1.00 0.00 C ATOM 564 C ILE A 40 -10.905 4.984 3.756 1.00 0.00 C ATOM 565 O ILE A 40 -12.109 4.748 3.810 1.00 0.00 O ATOM 566 CB ILE A 40 -11.496 7.110 2.445 1.00 0.00 C ATOM 567 CG1 ILE A 40 -11.769 6.441 1.082 1.00 0.00 C ATOM 568 CG2 ILE A 40 -11.076 8.575 2.251 1.00 0.00 C ATOM 569 CD1 ILE A 40 -13.071 6.927 0.438 1.00 0.00 C ATOM 0 H ILE A 40 -9.404 5.838 1.501 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.187 6.933 4.139 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.423 7.077 3.017 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -10.937 6.644 0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -11.815 5.360 1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -11.844 9.102 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.953 9.050 3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -10.132 8.614 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -13.214 6.424 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -13.910 6.700 1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -13.018 8.004 0.277 1.00 0.00 H new ATOM 581 N ASP A 41 -9.977 4.091 4.125 1.00 0.00 N ATOM 582 CA ASP A 41 -10.250 2.752 4.662 1.00 0.00 C ATOM 583 C ASP A 41 -11.344 2.022 3.871 1.00 0.00 C ATOM 584 O ASP A 41 -12.343 1.575 4.436 1.00 0.00 O ATOM 585 CB ASP A 41 -10.575 2.805 6.166 1.00 0.00 C ATOM 586 CG ASP A 41 -9.343 3.025 7.015 1.00 0.00 C ATOM 587 OD1 ASP A 41 -8.638 2.033 7.321 1.00 0.00 O ATOM 588 OD2 ASP A 41 -9.035 4.189 7.327 1.00 0.00 O ATOM 0 H ASP A 41 -8.979 4.289 4.055 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.336 2.169 4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.289 3.607 6.352 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.057 1.874 6.464 1.00 0.00 H new ATOM 593 N CYS A 42 -11.145 1.895 2.556 1.00 0.00 N ATOM 594 CA CYS A 42 -12.107 1.244 1.672 1.00 0.00 C ATOM 595 C CYS A 42 -11.820 -0.265 1.544 1.00 0.00 C ATOM 596 O CYS A 42 -11.180 -0.853 2.415 1.00 0.00 O ATOM 597 CB CYS A 42 -12.205 1.997 0.360 1.00 0.00 C ATOM 598 SG CYS A 42 -11.193 1.470 -1.045 1.00 0.00 S ATOM 0 H CYS A 42 -10.313 2.241 2.078 1.00 0.00 H new ATOM 0 HA CYS A 42 -13.104 1.290 2.110 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -13.247 1.966 0.042 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.965 3.041 0.563 1.00 0.00 H new ATOM 0 HG CYS A 42 -11.429 2.242 -2.064 1.00 0.00 H new ATOM 603 N GLY A 43 -12.324 -0.905 0.487 1.00 0.00 N ATOM 604 CA GLY A 43 -11.977 -2.259 0.092 1.00 0.00 C ATOM 605 C GLY A 43 -11.908 -2.295 -1.435 1.00 0.00 C ATOM 606 O GLY A 43 -12.945 -2.165 -2.086 1.00 0.00 O ATOM 0 H GLY A 43 -13.008 -0.474 -0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.020 -2.550 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.721 -2.967 0.458 1.00 0.00 H new ATOM 610 N ALA A 44 -10.711 -2.426 -2.010 1.00 0.00 N ATOM 611 CA ALA A 44 -10.491 -2.584 -3.443 1.00 0.00 C ATOM 612 C ALA A 44 -9.038 -2.985 -3.711 1.00 0.00 C ATOM 613 O ALA A 44 -8.755 -4.070 -4.224 1.00 0.00 O ATOM 614 CB ALA A 44 -10.853 -1.284 -4.180 1.00 0.00 C ATOM 0 H ALA A 44 -9.844 -2.425 -1.472 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.136 -3.378 -3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -10.685 -1.413 -5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -11.902 -1.046 -4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -10.229 -0.470 -3.810 1.00 0.00 H new ATOM 620 N CYS A 45 -8.113 -2.072 -3.410 1.00 0.00 N ATOM 621 CA CYS A 45 -6.694 -2.228 -3.692 1.00 0.00 C ATOM 622 C CYS A 45 -6.148 -3.530 -3.086 1.00 0.00 C ATOM 623 O CYS A 45 -5.439 -4.281 -3.758 1.00 0.00 O ATOM 624 CB CYS A 45 -5.949 -0.995 -3.240 1.00 0.00 C ATOM 625 SG CYS A 45 -6.037 -0.647 -1.466 1.00 0.00 S ATOM 0 H CYS A 45 -8.339 -1.188 -2.954 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.541 -2.321 -4.767 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.901 -1.100 -3.522 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.340 -0.134 -3.782 1.00 0.00 H new ATOM 0 HG CYS A 45 -5.360 0.430 -1.201 1.00 0.00 H new ATOM 630 N GLU A 46 -6.510 -3.834 -1.838 1.00 0.00 N ATOM 631 CA GLU A 46 -6.095 -5.055 -1.164 1.00 0.00 C ATOM 632 C GLU A 46 -6.500 -6.308 -1.947 1.00 0.00 C ATOM 633 O GLU A 46 -5.652 -7.155 -2.223 1.00 0.00 O ATOM 634 CB GLU A 46 -6.525 -5.038 0.314 1.00 0.00 C ATOM 635 CG GLU A 46 -8.027 -5.225 0.576 1.00 0.00 C ATOM 636 CD GLU A 46 -8.892 -4.349 -0.310 1.00 0.00 C ATOM 637 OE1 GLU A 46 -8.669 -3.119 -0.333 1.00 0.00 O ATOM 638 OE2 GLU A 46 -9.683 -4.930 -1.079 1.00 0.00 O ATOM 0 H GLU A 46 -7.104 -3.232 -1.267 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.006 -5.097 -1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.983 -5.824 0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.214 -4.090 0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.292 -6.270 0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.240 -4.999 1.621 1.00 0.00 H new ATOM 645 N ALA A 47 -7.771 -6.423 -2.346 1.00 0.00 N ATOM 646 CA ALA A 47 -8.246 -7.521 -3.171 1.00 0.00 C ATOM 647 C ALA A 47 -7.495 -7.567 -4.503 1.00 0.00 C ATOM 648 O ALA A 47 -7.212 -8.649 -5.013 1.00 0.00 O ATOM 649 CB ALA A 47 -9.755 -7.381 -3.394 1.00 0.00 C ATOM 0 H ALA A 47 -8.497 -5.750 -2.101 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.053 -8.461 -2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.109 -8.205 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.268 -7.402 -2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.963 -6.436 -3.895 1.00 0.00 H new ATOM 655 N VAL A 48 -7.183 -6.402 -5.080 1.00 0.00 N ATOM 656 CA VAL A 48 -6.475 -6.333 -6.345 1.00 0.00 C ATOM 657 C VAL A 48 -5.070 -6.939 -6.246 1.00 0.00 C ATOM 658 O VAL A 48 -4.646 -7.574 -7.208 1.00 0.00 O ATOM 659 CB VAL A 48 -6.500 -4.893 -6.881 1.00 0.00 C ATOM 660 CG1 VAL A 48 -5.506 -4.673 -8.022 1.00 0.00 C ATOM 661 CG2 VAL A 48 -7.909 -4.555 -7.382 1.00 0.00 C ATOM 0 H VAL A 48 -7.415 -5.493 -4.681 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.991 -6.951 -7.080 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.212 -4.241 -6.056 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.566 -3.639 -8.362 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.496 -4.881 -7.670 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.747 -5.342 -8.848 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.925 -3.533 -7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.186 -5.243 -8.181 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.619 -4.648 -6.560 1.00 0.00 H new ATOM 671 N CYS A 49 -4.339 -6.776 -5.134 1.00 0.00 N ATOM 672 CA CYS A 49 -3.048 -7.450 -4.977 1.00 0.00 C ATOM 673 C CYS A 49 -3.301 -8.948 -4.714 1.00 0.00 C ATOM 674 O CYS A 49 -3.702 -9.311 -3.605 1.00 0.00 O ATOM 675 CB CYS A 49 -2.234 -6.819 -3.865 1.00 0.00 C ATOM 676 SG CYS A 49 -0.472 -7.159 -3.874 1.00 0.00 S ATOM 0 H CYS A 49 -4.616 -6.193 -4.344 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.465 -7.341 -5.891 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.374 -5.739 -3.910 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.642 -7.154 -2.911 1.00 0.00 H new ATOM 0 HG CYS A 49 0.147 -6.258 -3.171 1.00 0.00 H new ATOM 681 N PRO A 50 -3.051 -9.867 -5.667 1.00 0.00 N ATOM 682 CA PRO A 50 -3.373 -11.278 -5.473 1.00 0.00 C ATOM 683 C PRO A 50 -2.501 -11.917 -4.385 1.00 0.00 C ATOM 684 O PRO A 50 -2.792 -13.016 -3.921 1.00 0.00 O ATOM 685 CB PRO A 50 -3.144 -11.934 -6.836 1.00 0.00 C ATOM 686 CG PRO A 50 -2.028 -11.084 -7.445 1.00 0.00 C ATOM 687 CD PRO A 50 -2.342 -9.678 -6.927 1.00 0.00 C ATOM 0 HA PRO A 50 -4.399 -11.410 -5.129 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.847 -12.978 -6.736 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.045 -11.916 -7.449 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.043 -11.422 -7.123 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.039 -11.124 -8.534 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.428 -9.103 -6.779 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.954 -9.126 -7.641 1.00 0.00 H new ATOM 695 N VAL A 51 -1.424 -11.231 -3.992 1.00 0.00 N ATOM 696 CA VAL A 51 -0.499 -11.645 -2.950 1.00 0.00 C ATOM 697 C VAL A 51 -1.000 -11.162 -1.582 1.00 0.00 C ATOM 698 O VAL A 51 -0.565 -11.676 -0.553 1.00 0.00 O ATOM 699 CB VAL A 51 0.924 -11.127 -3.280 1.00 0.00 C ATOM 700 CG1 VAL A 51 1.089 -10.689 -4.744 1.00 0.00 C ATOM 701 CG2 VAL A 51 1.353 -9.932 -2.421 1.00 0.00 C ATOM 0 H VAL A 51 -1.168 -10.337 -4.412 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.447 -12.733 -2.905 1.00 0.00 H new ATOM 0 HB VAL A 51 1.553 -11.992 -3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.108 -10.338 -4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.888 -11.535 -5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.388 -9.884 -4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.358 -9.622 -2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.660 -9.105 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.346 -10.219 -1.369 1.00 0.00 H new ATOM 711 N SER A 52 -1.860 -10.133 -1.565 1.00 0.00 N ATOM 712 CA SER A 52 -2.263 -9.425 -0.364 1.00 0.00 C ATOM 713 C SER A 52 -1.040 -8.931 0.419 1.00 0.00 C ATOM 714 O SER A 52 -0.857 -9.273 1.586 1.00 0.00 O ATOM 715 CB SER A 52 -3.202 -10.308 0.460 1.00 0.00 C ATOM 716 OG SER A 52 -4.248 -10.794 -0.362 1.00 0.00 O ATOM 0 H SER A 52 -2.299 -9.770 -2.411 1.00 0.00 H new ATOM 0 HA SER A 52 -2.820 -8.527 -0.632 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.648 -11.142 0.890 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.616 -9.738 1.292 1.00 0.00 H new ATOM 0 HG SER A 52 -4.846 -11.360 0.170 1.00 0.00 H new ATOM 722 N ALA A 53 -0.208 -8.106 -0.227 1.00 0.00 N ATOM 723 CA ALA A 53 0.887 -7.381 0.420 1.00 0.00 C ATOM 724 C ALA A 53 0.356 -6.145 1.149 1.00 0.00 C ATOM 725 O ALA A 53 1.027 -5.585 2.019 1.00 0.00 O ATOM 726 CB ALA A 53 1.907 -6.939 -0.631 1.00 0.00 C ATOM 0 H ALA A 53 -0.279 -7.922 -1.228 1.00 0.00 H new ATOM 0 HA ALA A 53 1.361 -8.046 1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.720 -6.400 -0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.307 -7.815 -1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.422 -6.286 -1.357 1.00 0.00 H new ATOM 732 N ILE A 54 -0.831 -5.695 0.741 1.00 0.00 N ATOM 733 CA ILE A 54 -1.547 -4.588 1.332 1.00 0.00 C ATOM 734 C ILE A 54 -2.253 -5.123 2.576 1.00 0.00 C ATOM 735 O ILE A 54 -3.005 -6.093 2.480 1.00 0.00 O ATOM 736 CB ILE A 54 -2.546 -4.032 0.301 1.00 0.00 C ATOM 737 CG1 ILE A 54 -1.804 -3.587 -0.970 1.00 0.00 C ATOM 738 CG2 ILE A 54 -3.321 -2.855 0.905 1.00 0.00 C ATOM 739 CD1 ILE A 54 -2.715 -3.173 -2.126 1.00 0.00 C ATOM 0 H ILE A 54 -1.331 -6.116 -0.042 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.882 -3.773 1.617 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.253 -4.818 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.152 -2.750 -0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.162 -4.402 -1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.026 -2.467 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.866 -3.192 1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.623 -2.067 1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.107 -2.875 -2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.349 -4.013 -2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.339 -2.335 -1.815 1.00 0.00 H new ATOM 751 N TYR A 55 -2.016 -4.503 3.732 1.00 0.00 N ATOM 752 CA TYR A 55 -2.670 -4.836 4.981 1.00 0.00 C ATOM 753 C TYR A 55 -3.120 -3.543 5.642 1.00 0.00 C ATOM 754 O TYR A 55 -2.684 -2.465 5.256 1.00 0.00 O ATOM 755 CB TYR A 55 -1.658 -5.526 5.888 1.00 0.00 C ATOM 756 CG TYR A 55 -1.261 -6.922 5.459 1.00 0.00 C ATOM 757 CD1 TYR A 55 -2.218 -7.953 5.451 1.00 0.00 C ATOM 758 CD2 TYR A 55 0.050 -7.180 5.015 1.00 0.00 C ATOM 759 CE1 TYR A 55 -1.872 -9.230 4.978 1.00 0.00 C ATOM 760 CE2 TYR A 55 0.392 -8.457 4.541 1.00 0.00 C ATOM 761 CZ TYR A 55 -0.574 -9.475 4.506 1.00 0.00 C ATOM 762 OH TYR A 55 -0.310 -10.631 3.842 1.00 0.00 O ATOM 0 H TYR A 55 -1.347 -3.738 3.820 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.524 -5.490 4.806 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.761 -4.910 5.941 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.070 -5.575 6.896 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.219 -7.763 5.809 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.792 -6.396 5.039 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.605 -10.023 4.978 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.398 -8.656 4.203 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.441 -10.493 2.881 1.00 0.00 H new ATOM 772 N HIS A 56 -3.959 -3.644 6.668 1.00 0.00 N ATOM 773 CA HIS A 56 -4.298 -2.494 7.489 1.00 0.00 C ATOM 774 C HIS A 56 -3.058 -2.052 8.265 1.00 0.00 C ATOM 775 O HIS A 56 -2.278 -2.906 8.694 1.00 0.00 O ATOM 776 CB HIS A 56 -5.435 -2.870 8.454 1.00 0.00 C ATOM 777 CG HIS A 56 -6.649 -1.989 8.346 1.00 0.00 C ATOM 778 ND1 HIS A 56 -6.963 -0.942 9.181 1.00 0.00 N ATOM 779 CD2 HIS A 56 -7.724 -2.206 7.527 1.00 0.00 C ATOM 780 CE1 HIS A 56 -8.204 -0.535 8.864 1.00 0.00 C ATOM 781 NE2 HIS A 56 -8.711 -1.280 7.867 1.00 0.00 N ATOM 0 H HIS A 56 -4.415 -4.512 6.948 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.635 -1.670 6.860 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.731 -3.902 8.266 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -5.058 -2.828 9.476 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -6.365 -0.547 9.907 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.796 -2.959 6.756 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.723 0.280 9.345 1.00 0.00 H new ATOM 789 N GLU A 57 -2.886 -0.746 8.494 1.00 0.00 N ATOM 790 CA GLU A 57 -1.805 -0.240 9.321 1.00 0.00 C ATOM 791 C GLU A 57 -1.729 -0.993 10.643 1.00 0.00 C ATOM 792 O GLU A 57 -0.663 -1.431 11.073 1.00 0.00 O ATOM 793 CB GLU A 57 -2.076 1.240 9.608 1.00 0.00 C ATOM 794 CG GLU A 57 -2.026 2.184 8.413 1.00 0.00 C ATOM 795 CD GLU A 57 -2.782 3.466 8.732 1.00 0.00 C ATOM 796 OE1 GLU A 57 -4.027 3.376 8.788 1.00 0.00 O ATOM 797 OE2 GLU A 57 -2.111 4.508 8.931 1.00 0.00 O ATOM 0 H GLU A 57 -3.492 -0.021 8.111 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.860 -0.374 8.794 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.061 1.324 10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.350 1.583 10.345 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.990 2.415 8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.464 1.702 7.539 1.00 0.00 H new ATOM 804 N ASP A 58 -2.894 -1.161 11.261 1.00 0.00 N ATOM 805 CA ASP A 58 -3.103 -1.873 12.499 1.00 0.00 C ATOM 806 C ASP A 58 -2.510 -3.278 12.432 1.00 0.00 C ATOM 807 O ASP A 58 -1.951 -3.779 13.407 1.00 0.00 O ATOM 808 CB ASP A 58 -4.615 -1.956 12.765 1.00 0.00 C ATOM 809 CG ASP A 58 -5.366 -0.659 12.490 1.00 0.00 C ATOM 810 OD1 ASP A 58 -5.414 -0.301 11.288 1.00 0.00 O ATOM 811 OD2 ASP A 58 -5.865 -0.058 13.462 1.00 0.00 O ATOM 0 H ASP A 58 -3.761 -0.779 10.883 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.603 -1.339 13.307 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.039 -2.747 12.147 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.775 -2.243 13.804 1.00 0.00 H new ATOM 816 N PHE A 59 -2.646 -3.899 11.259 1.00 0.00 N ATOM 817 CA PHE A 59 -2.363 -5.306 11.041 1.00 0.00 C ATOM 818 C PHE A 59 -0.873 -5.519 10.809 1.00 0.00 C ATOM 819 O PHE A 59 -0.299 -6.489 11.296 1.00 0.00 O ATOM 820 CB PHE A 59 -3.202 -5.801 9.859 1.00 0.00 C ATOM 821 CG PHE A 59 -3.190 -7.303 9.648 1.00 0.00 C ATOM 822 CD1 PHE A 59 -2.142 -7.915 8.933 1.00 0.00 C ATOM 823 CD2 PHE A 59 -4.236 -8.090 10.164 1.00 0.00 C ATOM 824 CE1 PHE A 59 -2.142 -9.307 8.736 1.00 0.00 C ATOM 825 CE2 PHE A 59 -4.238 -9.482 9.963 1.00 0.00 C ATOM 826 CZ PHE A 59 -3.190 -10.091 9.250 1.00 0.00 C ATOM 0 H PHE A 59 -2.965 -3.419 10.417 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.632 -5.884 11.925 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.233 -5.478 10.004 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.842 -5.319 8.950 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.337 -7.314 8.536 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.039 -7.624 10.716 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.336 -9.775 8.189 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.044 -10.083 10.356 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.190 -11.160 9.097 1.00 0.00 H new ATOM 836 N VAL A 60 -0.247 -4.625 10.037 1.00 0.00 N ATOM 837 CA VAL A 60 1.164 -4.747 9.699 1.00 0.00 C ATOM 838 C VAL A 60 2.019 -4.904 10.972 1.00 0.00 C ATOM 839 O VAL A 60 1.959 -4.023 11.831 1.00 0.00 O ATOM 840 CB VAL A 60 1.592 -3.542 8.847 1.00 0.00 C ATOM 841 CG1 VAL A 60 3.106 -3.571 8.625 1.00 0.00 C ATOM 842 CG2 VAL A 60 0.908 -3.623 7.478 1.00 0.00 C ATOM 0 H VAL A 60 -0.704 -3.806 9.635 1.00 0.00 H new ATOM 0 HA VAL A 60 1.324 -5.648 9.107 1.00 0.00 H new ATOM 0 HB VAL A 60 1.309 -2.626 9.365 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.402 -2.714 8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.616 -3.529 9.588 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.380 -4.491 8.109 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.209 -2.770 6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.202 -4.546 6.979 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.174 -3.611 7.610 1.00 0.00 H new ATOM 852 N PRO A 61 2.800 -5.992 11.121 1.00 0.00 N ATOM 853 CA PRO A 61 3.664 -6.209 12.278 1.00 0.00 C ATOM 854 C PRO A 61 4.633 -5.050 12.511 1.00 0.00 C ATOM 855 O PRO A 61 5.081 -4.421 11.558 1.00 0.00 O ATOM 856 CB PRO A 61 4.445 -7.492 11.977 1.00 0.00 C ATOM 857 CG PRO A 61 3.530 -8.253 11.025 1.00 0.00 C ATOM 858 CD PRO A 61 2.869 -7.135 10.223 1.00 0.00 C ATOM 0 HA PRO A 61 3.065 -6.284 13.186 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.410 -7.276 11.519 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.644 -8.063 12.884 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.090 -8.934 10.384 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.796 -8.853 11.563 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.449 -6.898 9.331 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.875 -7.429 9.887 1.00 0.00 H new ATOM 866 N GLU A 62 4.972 -4.779 13.770 1.00 0.00 N ATOM 867 CA GLU A 62 5.932 -3.830 14.278 1.00 0.00 C ATOM 868 C GLU A 62 7.218 -3.761 13.447 1.00 0.00 C ATOM 869 O GLU A 62 7.639 -2.665 13.080 1.00 0.00 O ATOM 870 CB GLU A 62 6.126 -4.250 15.732 1.00 0.00 C ATOM 871 CG GLU A 62 5.069 -3.630 16.666 1.00 0.00 C ATOM 872 CD GLU A 62 3.642 -3.855 16.185 1.00 0.00 C ATOM 873 OE1 GLU A 62 3.323 -5.017 15.854 1.00 0.00 O ATOM 874 OE2 GLU A 62 2.908 -2.853 16.038 1.00 0.00 O ATOM 0 H GLU A 62 4.524 -5.282 14.536 1.00 0.00 H new ATOM 0 HA GLU A 62 5.583 -2.800 14.210 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.078 -5.337 15.803 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.121 -3.952 16.064 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.181 -4.054 17.664 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.252 -2.559 16.752 1.00 0.00 H new ATOM 881 N GLU A 63 7.808 -4.899 13.087 1.00 0.00 N ATOM 882 CA GLU A 63 8.939 -4.969 12.168 1.00 0.00 C ATOM 883 C GLU A 63 8.707 -4.081 10.934 1.00 0.00 C ATOM 884 O GLU A 63 9.597 -3.354 10.490 1.00 0.00 O ATOM 885 CB GLU A 63 9.172 -6.427 11.744 1.00 0.00 C ATOM 886 CG GLU A 63 9.370 -7.392 12.927 1.00 0.00 C ATOM 887 CD GLU A 63 8.089 -8.117 13.336 1.00 0.00 C ATOM 888 OE1 GLU A 63 7.123 -7.407 13.691 1.00 0.00 O ATOM 889 OE2 GLU A 63 8.096 -9.363 13.277 1.00 0.00 O ATOM 0 H GLU A 63 7.508 -5.811 13.431 1.00 0.00 H new ATOM 0 HA GLU A 63 9.826 -4.598 12.682 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.322 -6.764 11.150 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.049 -6.473 11.099 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.128 -8.129 12.663 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.752 -6.834 13.782 1.00 0.00 H new ATOM 896 N TRP A 64 7.488 -4.149 10.397 1.00 0.00 N ATOM 897 CA TRP A 64 7.031 -3.463 9.204 1.00 0.00 C ATOM 898 C TRP A 64 6.173 -2.225 9.512 1.00 0.00 C ATOM 899 O TRP A 64 5.795 -1.524 8.577 1.00 0.00 O ATOM 900 CB TRP A 64 6.286 -4.477 8.325 1.00 0.00 C ATOM 901 CG TRP A 64 7.099 -5.551 7.661 1.00 0.00 C ATOM 902 CD1 TRP A 64 8.446 -5.563 7.504 1.00 0.00 C ATOM 903 CD2 TRP A 64 6.613 -6.754 6.988 1.00 0.00 C ATOM 904 NE1 TRP A 64 8.816 -6.683 6.791 1.00 0.00 N ATOM 905 CE2 TRP A 64 7.732 -7.462 6.466 1.00 0.00 C ATOM 906 CE3 TRP A 64 5.337 -7.303 6.728 1.00 0.00 C ATOM 907 CZ2 TRP A 64 7.604 -8.649 5.735 1.00 0.00 C ATOM 908 CZ3 TRP A 64 5.193 -8.479 5.965 1.00 0.00 C ATOM 909 CH2 TRP A 64 6.323 -9.140 5.452 1.00 0.00 C ATOM 0 H TRP A 64 6.754 -4.721 10.815 1.00 0.00 H new ATOM 0 HA TRP A 64 7.897 -3.073 8.669 1.00 0.00 H new ATOM 0 HB2 TRP A 64 5.528 -4.962 8.940 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.760 -3.924 7.547 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.124 -4.811 7.880 1.00 0.00 H new ATOM 0 HE1 TRP A 64 9.778 -6.906 6.536 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.458 -6.813 7.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 8.481 -9.179 5.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 4.207 -8.876 5.773 1.00 0.00 H new ATOM 0 HH2 TRP A 64 6.204 -10.023 4.842 1.00 0.00 H new ATOM 920 N LYS A 65 5.901 -1.873 10.780 1.00 0.00 N ATOM 921 CA LYS A 65 5.287 -0.606 11.132 1.00 0.00 C ATOM 922 C LYS A 65 6.162 0.545 10.605 1.00 0.00 C ATOM 923 O LYS A 65 5.674 1.631 10.292 1.00 0.00 O ATOM 924 CB LYS A 65 5.093 -0.574 12.651 1.00 0.00 C ATOM 925 CG LYS A 65 3.877 -1.361 13.179 1.00 0.00 C ATOM 926 CD LYS A 65 2.517 -0.843 12.704 1.00 0.00 C ATOM 927 CE LYS A 65 1.374 -1.172 13.683 1.00 0.00 C ATOM 928 NZ LYS A 65 1.270 -2.614 13.996 1.00 0.00 N ATOM 0 H LYS A 65 6.106 -2.468 11.583 1.00 0.00 H new ATOM 0 HA LYS A 65 4.306 -0.488 10.671 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.993 -0.968 13.124 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.997 0.465 12.966 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.978 -2.403 12.876 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.896 -1.342 14.269 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.573 0.237 12.568 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.290 -1.275 11.730 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.526 -0.616 14.608 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.430 -0.830 13.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.268 -2.879 14.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.708 -3.168 13.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.761 -2.811 14.891 1.00 0.00 H new ATOM 942 N SER A 66 7.459 0.281 10.443 1.00 0.00 N ATOM 943 CA SER A 66 8.400 1.131 9.739 1.00 0.00 C ATOM 944 C SER A 66 7.808 1.581 8.394 1.00 0.00 C ATOM 945 O SER A 66 7.838 2.767 8.062 1.00 0.00 O ATOM 946 CB SER A 66 9.675 0.302 9.541 1.00 0.00 C ATOM 947 OG SER A 66 9.303 -1.000 9.111 1.00 0.00 O ATOM 0 H SER A 66 7.892 -0.564 10.815 1.00 0.00 H new ATOM 0 HA SER A 66 8.620 2.037 10.303 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.323 0.774 8.803 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.239 0.247 10.472 1.00 0.00 H new ATOM 0 HG SER A 66 9.527 -1.651 9.808 1.00 0.00 H new ATOM 953 N TYR A 67 7.226 0.651 7.627 1.00 0.00 N ATOM 954 CA TYR A 67 6.582 1.002 6.374 1.00 0.00 C ATOM 955 C TYR A 67 5.380 1.906 6.595 1.00 0.00 C ATOM 956 O TYR A 67 5.132 2.744 5.741 1.00 0.00 O ATOM 957 CB TYR A 67 6.131 -0.205 5.551 1.00 0.00 C ATOM 958 CG TYR A 67 7.234 -0.959 4.838 1.00 0.00 C ATOM 959 CD1 TYR A 67 7.690 -0.500 3.588 1.00 0.00 C ATOM 960 CD2 TYR A 67 7.753 -2.153 5.375 1.00 0.00 C ATOM 961 CE1 TYR A 67 8.666 -1.224 2.885 1.00 0.00 C ATOM 962 CE2 TYR A 67 8.725 -2.881 4.664 1.00 0.00 C ATOM 963 CZ TYR A 67 9.191 -2.409 3.423 1.00 0.00 C ATOM 964 OH TYR A 67 10.148 -3.081 2.728 1.00 0.00 O ATOM 0 H TYR A 67 7.192 -0.342 7.858 1.00 0.00 H new ATOM 0 HA TYR A 67 7.353 1.526 5.809 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.609 -0.898 6.211 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.408 0.133 4.809 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.288 0.411 3.169 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.405 -2.510 6.333 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.014 -0.868 1.927 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.114 -3.803 5.071 1.00 0.00 H new ATOM 0 HH TYR A 67 10.202 -4.004 3.054 1.00 0.00 H new ATOM 974 N ILE A 68 4.605 1.764 7.673 1.00 0.00 N ATOM 975 CA ILE A 68 3.459 2.622 7.897 1.00 0.00 C ATOM 976 C ILE A 68 3.991 4.046 8.045 1.00 0.00 C ATOM 977 O ILE A 68 3.506 4.973 7.393 1.00 0.00 O ATOM 978 CB ILE A 68 2.676 2.105 9.118 1.00 0.00 C ATOM 979 CG1 ILE A 68 1.772 0.914 8.778 1.00 0.00 C ATOM 980 CG2 ILE A 68 1.811 3.205 9.724 1.00 0.00 C ATOM 981 CD1 ILE A 68 2.464 -0.276 8.124 1.00 0.00 C ATOM 0 H ILE A 68 4.757 1.062 8.398 1.00 0.00 H new ATOM 0 HA ILE A 68 2.749 2.617 7.070 1.00 0.00 H new ATOM 0 HB ILE A 68 3.429 1.779 9.835 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.292 0.573 9.695 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.980 1.260 8.114 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.270 2.810 10.584 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.445 4.032 10.043 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.099 3.560 8.979 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.732 -1.059 7.927 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.920 0.039 7.185 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.236 -0.660 8.791 1.00 0.00 H new ATOM 993 N GLN A 69 5.037 4.211 8.859 1.00 0.00 N ATOM 994 CA GLN A 69 5.680 5.504 8.998 1.00 0.00 C ATOM 995 C GLN A 69 6.201 6.005 7.647 1.00 0.00 C ATOM 996 O GLN A 69 6.029 7.180 7.327 1.00 0.00 O ATOM 997 CB GLN A 69 6.786 5.438 10.057 1.00 0.00 C ATOM 998 CG GLN A 69 7.402 6.814 10.353 1.00 0.00 C ATOM 999 CD GLN A 69 6.378 7.847 10.807 1.00 0.00 C ATOM 1000 OE1 GLN A 69 6.102 7.982 11.994 1.00 0.00 O ATOM 1001 NE2 GLN A 69 5.806 8.589 9.864 1.00 0.00 N ATOM 0 H GLN A 69 5.448 3.468 9.424 1.00 0.00 H new ATOM 0 HA GLN A 69 4.942 6.229 9.340 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.378 5.021 10.978 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.568 4.759 9.718 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.164 6.705 11.124 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.905 7.180 9.458 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.057 8.452 8.885 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.116 9.295 10.119 1.00 0.00 H new ATOM 1010 N LYS A 70 6.835 5.139 6.850 1.00 0.00 N ATOM 1011 CA LYS A 70 7.388 5.534 5.559 1.00 0.00 C ATOM 1012 C LYS A 70 6.296 5.975 4.586 1.00 0.00 C ATOM 1013 O LYS A 70 6.471 6.962 3.864 1.00 0.00 O ATOM 1014 CB LYS A 70 8.216 4.389 4.957 1.00 0.00 C ATOM 1015 CG LYS A 70 8.980 4.797 3.686 1.00 0.00 C ATOM 1016 CD LYS A 70 10.088 5.839 3.934 1.00 0.00 C ATOM 1017 CE LYS A 70 10.100 6.920 2.842 1.00 0.00 C ATOM 1018 NZ LYS A 70 8.938 7.833 2.923 1.00 0.00 N ATOM 0 H LYS A 70 6.976 4.156 7.082 1.00 0.00 H new ATOM 0 HA LYS A 70 8.041 6.390 5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.927 4.033 5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.555 3.555 4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.424 3.908 3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.272 5.199 2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.938 6.306 4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.057 5.341 3.965 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.019 7.501 2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.111 6.441 1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.511 7.936 1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.234 7.441 3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.251 8.764 3.265 1.00 0.00 H new ATOM 1032 N ASN A 71 5.210 5.205 4.538 1.00 0.00 N ATOM 1033 CA ASN A 71 4.015 5.469 3.746 1.00 0.00 C ATOM 1034 C ASN A 71 3.395 6.813 4.142 1.00 0.00 C ATOM 1035 O ASN A 71 3.019 7.596 3.273 1.00 0.00 O ATOM 1036 CB ASN A 71 3.005 4.319 3.875 1.00 0.00 C ATOM 1037 CG ASN A 71 3.220 3.156 2.902 1.00 0.00 C ATOM 1038 OD1 ASN A 71 2.519 3.014 1.903 1.00 0.00 O ATOM 1039 ND2 ASN A 71 4.172 2.278 3.192 1.00 0.00 N ATOM 0 H ASN A 71 5.138 4.341 5.076 1.00 0.00 H new ATOM 0 HA ASN A 71 4.302 5.531 2.696 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.045 3.933 4.894 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.002 4.718 3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.328 1.475 2.583 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.748 2.406 4.024 1.00 0.00 H new ATOM 1046 N ARG A 72 3.318 7.105 5.445 1.00 0.00 N ATOM 1047 CA ARG A 72 2.867 8.380 5.972 1.00 0.00 C ATOM 1048 C ARG A 72 3.748 9.475 5.375 1.00 0.00 C ATOM 1049 O ARG A 72 3.287 10.377 4.666 1.00 0.00 O ATOM 1050 CB ARG A 72 3.017 8.300 7.497 1.00 0.00 C ATOM 1051 CG ARG A 72 2.318 9.387 8.310 1.00 0.00 C ATOM 1052 CD ARG A 72 1.352 8.690 9.261 1.00 0.00 C ATOM 1053 NE ARG A 72 0.225 8.157 8.487 1.00 0.00 N ATOM 1054 CZ ARG A 72 -0.549 7.107 8.803 1.00 0.00 C ATOM 1055 NH1 ARG A 72 -0.065 6.054 9.460 1.00 0.00 N ATOM 1056 NH2 ARG A 72 -1.827 7.083 8.447 1.00 0.00 N ATOM 0 H ARG A 72 3.576 6.439 6.173 1.00 0.00 H new ATOM 0 HA ARG A 72 1.831 8.604 5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.639 7.332 7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.080 8.326 7.737 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.045 9.979 8.866 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.783 10.074 7.654 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.860 7.884 9.791 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.994 9.391 10.015 1.00 0.00 H new ATOM 0 HE ARG A 72 0.006 8.637 7.614 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.917 6.032 9.736 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.676 5.270 9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.227 7.866 7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.409 6.282 8.691 1.00 0.00 H new ATOM 1070 N ASP A 73 5.038 9.326 5.678 1.00 0.00 N ATOM 1071 CA ASP A 73 6.116 10.258 5.463 1.00 0.00 C ATOM 1072 C ASP A 73 6.287 10.629 3.995 1.00 0.00 C ATOM 1073 O ASP A 73 6.535 11.794 3.700 1.00 0.00 O ATOM 1074 CB ASP A 73 7.361 9.553 5.990 1.00 0.00 C ATOM 1075 CG ASP A 73 8.620 10.292 5.592 1.00 0.00 C ATOM 1076 OD1 ASP A 73 8.886 11.345 6.206 1.00 0.00 O ATOM 1077 OD2 ASP A 73 9.234 9.843 4.600 1.00 0.00 O ATOM 0 H ASP A 73 5.372 8.469 6.119 1.00 0.00 H new ATOM 0 HA ASP A 73 5.919 11.201 5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.308 9.479 7.076 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.396 8.535 5.603 1.00 0.00 H new ATOM 1082 N PHE A 74 6.189 9.646 3.093 1.00 0.00 N ATOM 1083 CA PHE A 74 6.337 9.845 1.651 1.00 0.00 C ATOM 1084 C PHE A 74 5.727 11.165 1.183 1.00 0.00 C ATOM 1085 O PHE A 74 6.372 11.934 0.476 1.00 0.00 O ATOM 1086 CB PHE A 74 5.747 8.671 0.867 1.00 0.00 C ATOM 1087 CG PHE A 74 6.769 7.799 0.165 1.00 0.00 C ATOM 1088 CD1 PHE A 74 7.312 8.218 -1.064 1.00 0.00 C ATOM 1089 CD2 PHE A 74 7.142 6.555 0.700 1.00 0.00 C ATOM 1090 CE1 PHE A 74 8.255 7.416 -1.728 1.00 0.00 C ATOM 1091 CE2 PHE A 74 8.169 5.812 0.094 1.00 0.00 C ATOM 1092 CZ PHE A 74 8.729 6.243 -1.118 1.00 0.00 C ATOM 0 H PHE A 74 6.002 8.677 3.350 1.00 0.00 H new ATOM 0 HA PHE A 74 7.407 9.892 1.450 1.00 0.00 H new ATOM 0 HB2 PHE A 74 5.168 8.050 1.551 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.051 9.061 0.124 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.003 9.158 -1.497 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.640 6.170 1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.615 7.701 -2.706 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.528 4.907 0.562 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.522 5.674 -1.581 1.00 0.00 H new ATOM 1102 N PHE A 75 4.478 11.398 1.583 1.00 0.00 N ATOM 1103 CA PHE A 75 3.671 12.501 1.086 1.00 0.00 C ATOM 1104 C PHE A 75 3.548 13.623 2.121 1.00 0.00 C ATOM 1105 O PHE A 75 3.264 14.760 1.758 1.00 0.00 O ATOM 1106 CB PHE A 75 2.318 11.947 0.648 1.00 0.00 C ATOM 1107 CG PHE A 75 2.424 10.625 -0.096 1.00 0.00 C ATOM 1108 CD1 PHE A 75 2.972 10.600 -1.391 1.00 0.00 C ATOM 1109 CD2 PHE A 75 2.191 9.411 0.583 1.00 0.00 C ATOM 1110 CE1 PHE A 75 3.286 9.373 -2.001 1.00 0.00 C ATOM 1111 CE2 PHE A 75 2.461 8.184 -0.043 1.00 0.00 C ATOM 1112 CZ PHE A 75 3.030 8.167 -1.327 1.00 0.00 C ATOM 0 H PHE A 75 3.996 10.817 2.269 1.00 0.00 H new ATOM 0 HA PHE A 75 4.157 12.959 0.225 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.686 11.813 1.526 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.823 12.678 0.008 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.152 11.525 -1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.803 9.426 1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.724 9.357 -2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.232 7.257 0.461 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.271 7.225 -1.797 1.00 0.00 H new ATOM 1122 N LYS A 76 3.761 13.323 3.409 1.00 0.00 N ATOM 1123 CA LYS A 76 3.876 14.358 4.431 1.00 0.00 C ATOM 1124 C LYS A 76 5.289 14.939 4.334 1.00 0.00 C ATOM 1125 O LYS A 76 6.192 14.530 5.070 1.00 0.00 O ATOM 1126 CB LYS A 76 3.608 13.782 5.832 1.00 0.00 C ATOM 1127 CG LYS A 76 2.141 13.833 6.299 1.00 0.00 C ATOM 1128 CD LYS A 76 1.336 12.555 6.034 1.00 0.00 C ATOM 1129 CE LYS A 76 0.734 12.440 4.627 1.00 0.00 C ATOM 1130 NZ LYS A 76 0.617 11.026 4.222 1.00 0.00 N ATOM 0 H LYS A 76 3.856 12.371 3.763 1.00 0.00 H new ATOM 0 HA LYS A 76 3.133 15.139 4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.941 12.744 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.220 14.325 6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.122 14.042 7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.645 14.667 5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.983 11.695 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.528 12.496 6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.249 12.911 4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.359 12.977 3.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.255 10.973 3.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.552 10.573 4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.039 10.535 4.862 1.00 0.00 H new ATOM 1144 N LYS A 77 5.514 15.861 3.403 1.00 0.00 N ATOM 1145 CA LYS A 77 6.832 16.393 3.129 1.00 0.00 C ATOM 1146 C LYS A 77 6.673 17.692 2.349 1.00 0.00 C ATOM 1147 O LYS A 77 7.705 18.371 2.163 1.00 0.00 O ATOM 1148 CB LYS A 77 7.629 15.347 2.341 1.00 0.00 C ATOM 1149 CG LYS A 77 9.138 15.491 2.579 1.00 0.00 C ATOM 1150 CD LYS A 77 9.811 14.114 2.626 1.00 0.00 C ATOM 1151 CE LYS A 77 9.808 13.470 4.024 1.00 0.00 C ATOM 1152 NZ LYS A 77 8.472 13.339 4.629 1.00 0.00 N ATOM 1153 OXT LYS A 77 5.516 17.968 1.958 1.00 0.00 O ATOM 0 H LYS A 77 4.779 16.258 2.818 1.00 0.00 H new ATOM 0 HA LYS A 77 7.376 16.610 4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.308 14.347 2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.416 15.452 1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.581 16.091 1.785 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.315 16.020 3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.304 13.448 1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.841 14.211 2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.262 12.481 3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.437 14.065 4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.564 12.976 5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.008 14.269 4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.899 12.679 4.066 1.00 0.00 H new