USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 658 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 17 HIS : no HD1:sc= -8.77! C(o=-7.8!,f=-9.9!) USER MOD Set 1.2: A 30 TYR OH : rot -124:sc= 0.973 USER MOD Single : A 2 LYS NZ :NH3+ -130:sc= -2.26! (180deg=-6.11!) USER MOD Single : A 6 ASN : amide:sc= -0.808 K(o=-0.81,f=-3.9!) USER MOD Single : A 9 GLN : amide:sc= -0.451 K(o=-0.45,f=-3.7!) USER MOD Single : A 12 SER OG : rot 180:sc= -0.023 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0434 USER MOD Single : A 33 ASN : amide:sc= -2.56! C(o=-2.6!,f=-5.3!) USER MOD Single : A 40 CYS SG : rot 60:sc= -0.35 USER MOD Single : A 42 THR OG1 : rot -132:sc= 1.22 USER MOD Single : A 47 TYR OH : rot -45:sc= -2.89! USER MOD Single : A 55 GLN : amide:sc= -3.68! C(o=-3.7!,f=-5.9!) USER MOD Single : A 58 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.0043) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -167:sc= -3.56! (180deg=-3.91!) USER MOD Single : A 69 SER OG : rot 180:sc= -1.41! USER MOD Single : A 72 GLN : amide:sc= -0.616 K(o=-0.62,f=-0.12) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 180:sc= 0.00783 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 2 -5.335 3.375 9.325 1.00 0.00 N ATOM 26 CA LYS A 2 -4.037 4.031 9.014 1.00 0.00 C ATOM 27 C LYS A 2 -3.076 3.018 8.397 1.00 0.00 C ATOM 28 O LYS A 2 -3.132 1.837 8.676 1.00 0.00 O ATOM 29 CB LYS A 2 -3.423 4.559 10.302 1.00 0.00 C ATOM 30 CG LYS A 2 -2.807 5.934 10.051 1.00 0.00 C ATOM 31 CD LYS A 2 -1.302 5.778 9.826 1.00 0.00 C ATOM 32 CE LYS A 2 -0.580 7.024 10.334 1.00 0.00 C ATOM 33 NZ LYS A 2 -0.031 7.789 9.180 1.00 0.00 N ATOM 0 HA LYS A 2 -4.210 4.847 8.312 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.185 4.627 11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.661 3.868 10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.270 6.400 9.181 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.994 6.590 10.901 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.935 4.894 10.348 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.095 5.631 8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.268 7.649 10.903 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.226 6.739 11.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.971 8.008 9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.116 7.219 8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.564 8.675 9.065 1.00 0.00 H new ATOM 47 N ALA A 3 -2.183 3.480 7.572 1.00 0.00 N ATOM 48 CA ALA A 3 -1.197 2.556 6.944 1.00 0.00 C ATOM 49 C ALA A 3 0.141 3.275 6.779 1.00 0.00 C ATOM 50 O ALA A 3 0.259 4.228 6.040 1.00 0.00 O ATOM 51 CB ALA A 3 -1.709 2.101 5.577 1.00 0.00 C ATOM 0 H ALA A 3 -2.091 4.460 7.303 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.064 1.683 7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.984 1.426 5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.660 1.583 5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.849 2.969 4.933 1.00 0.00 H new ATOM 57 N VAL A 4 1.149 2.825 7.472 1.00 0.00 N ATOM 58 CA VAL A 4 2.482 3.482 7.372 1.00 0.00 C ATOM 59 C VAL A 4 3.457 2.572 6.628 1.00 0.00 C ATOM 60 O VAL A 4 3.839 1.528 7.118 1.00 0.00 O ATOM 61 CB VAL A 4 3.009 3.739 8.782 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.244 4.641 8.718 1.00 0.00 C ATOM 63 CG2 VAL A 4 1.908 4.413 9.606 1.00 0.00 C ATOM 0 H VAL A 4 1.107 2.027 8.106 1.00 0.00 H new ATOM 0 HA VAL A 4 2.386 4.421 6.828 1.00 0.00 H new ATOM 0 HB VAL A 4 3.291 2.796 9.250 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.616 4.821 9.727 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.020 4.154 8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.977 5.591 8.255 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.273 4.602 10.616 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.630 5.357 9.138 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.036 3.760 9.651 1.00 0.00 H new ATOM 73 N ILE A 5 3.877 2.956 5.454 1.00 0.00 N ATOM 74 CA ILE A 5 4.835 2.096 4.708 1.00 0.00 C ATOM 75 C ILE A 5 6.261 2.499 5.070 1.00 0.00 C ATOM 76 O ILE A 5 6.828 3.409 4.499 1.00 0.00 O ATOM 77 CB ILE A 5 4.626 2.247 3.204 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.126 2.067 2.888 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.480 1.194 2.487 1.00 0.00 C ATOM 80 CD1 ILE A 5 2.913 1.119 1.699 1.00 0.00 C ATOM 0 H ILE A 5 3.601 3.818 4.984 1.00 0.00 H new ATOM 0 HA ILE A 5 4.665 1.055 4.981 1.00 0.00 H new ATOM 0 HB ILE A 5 4.931 3.236 2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.613 1.674 3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.681 3.037 2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.343 1.287 1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.530 1.348 2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.174 0.198 2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.846 1.015 1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.405 1.526 0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.336 0.142 1.932 1.00 0.00 H new ATOM 92 N ASN A 6 6.842 1.826 6.017 1.00 0.00 N ATOM 93 CA ASN A 6 8.227 2.158 6.430 1.00 0.00 C ATOM 94 C ASN A 6 9.212 1.388 5.547 1.00 0.00 C ATOM 95 O ASN A 6 9.475 0.222 5.761 1.00 0.00 O ATOM 96 CB ASN A 6 8.408 1.757 7.892 1.00 0.00 C ATOM 97 CG ASN A 6 7.714 2.781 8.792 1.00 0.00 C ATOM 98 OD1 ASN A 6 7.256 3.805 8.326 1.00 0.00 O ATOM 99 ND2 ASN A 6 7.615 2.546 10.072 1.00 0.00 N ATOM 0 H ASN A 6 6.413 1.054 6.527 1.00 0.00 H new ATOM 0 HA ASN A 6 8.413 3.226 6.320 1.00 0.00 H new ATOM 0 HB2 ASN A 6 7.990 0.765 8.062 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.469 1.702 8.136 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.153 3.222 10.680 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.999 1.686 10.464 1.00 0.00 H new ATOM 106 N GLY A 7 9.749 2.033 4.547 1.00 0.00 N ATOM 107 CA GLY A 7 10.707 1.341 3.636 1.00 0.00 C ATOM 108 C GLY A 7 11.964 0.930 4.406 1.00 0.00 C ATOM 109 O GLY A 7 12.594 -0.062 4.097 1.00 0.00 O ATOM 0 H GLY A 7 9.566 3.011 4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.235 0.461 3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.976 2.000 2.811 1.00 0.00 H new ATOM 113 N GLU A 8 12.340 1.685 5.400 1.00 0.00 N ATOM 114 CA GLU A 8 13.562 1.335 6.178 1.00 0.00 C ATOM 115 C GLU A 8 13.434 -0.087 6.732 1.00 0.00 C ATOM 116 O GLU A 8 14.413 -0.713 7.087 1.00 0.00 O ATOM 117 CB GLU A 8 13.726 2.319 7.338 1.00 0.00 C ATOM 118 CG GLU A 8 14.325 3.627 6.818 1.00 0.00 C ATOM 119 CD GLU A 8 14.313 4.674 7.933 1.00 0.00 C ATOM 120 OE1 GLU A 8 13.546 4.506 8.867 1.00 0.00 O ATOM 121 OE2 GLU A 8 15.070 5.625 7.834 1.00 0.00 O ATOM 0 H GLU A 8 11.855 2.528 5.707 1.00 0.00 H new ATOM 0 HA GLU A 8 14.433 1.390 5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.760 2.510 7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.372 1.890 8.104 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.345 3.460 6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.754 3.986 5.962 1.00 0.00 H new ATOM 128 N GLN A 9 12.237 -0.599 6.821 1.00 0.00 N ATOM 129 CA GLN A 9 12.054 -1.972 7.365 1.00 0.00 C ATOM 130 C GLN A 9 11.875 -2.974 6.223 1.00 0.00 C ATOM 131 O GLN A 9 12.527 -3.999 6.175 1.00 0.00 O ATOM 132 CB GLN A 9 10.812 -1.988 8.253 1.00 0.00 C ATOM 133 CG GLN A 9 10.991 -0.984 9.392 1.00 0.00 C ATOM 134 CD GLN A 9 11.872 -1.598 10.482 1.00 0.00 C ATOM 135 OE1 GLN A 9 12.566 -2.567 10.244 1.00 0.00 O ATOM 136 NE2 GLN A 9 11.874 -1.072 11.676 1.00 0.00 N ATOM 0 H GLN A 9 11.379 -0.125 6.540 1.00 0.00 H new ATOM 0 HA GLN A 9 12.934 -2.252 7.943 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.929 -1.736 7.666 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.652 -2.988 8.656 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.446 -0.068 9.015 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.020 -0.711 9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.292 -0.259 11.876 1.00 0.00 H new ATOM 0 HE22 GLN A 9 12.458 -1.474 12.409 1.00 0.00 H new ATOM 145 N ILE A 10 10.986 -2.696 5.313 1.00 0.00 N ATOM 146 CA ILE A 10 10.748 -3.635 4.186 1.00 0.00 C ATOM 147 C ILE A 10 12.065 -4.147 3.616 1.00 0.00 C ATOM 148 O ILE A 10 13.050 -3.441 3.528 1.00 0.00 O ATOM 149 CB ILE A 10 9.956 -2.912 3.101 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.487 -2.910 3.500 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.117 -3.619 1.746 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.732 -1.996 2.557 1.00 0.00 C ATOM 0 H ILE A 10 10.411 -1.854 5.302 1.00 0.00 H new ATOM 0 HA ILE A 10 10.184 -4.494 4.551 1.00 0.00 H new ATOM 0 HB ILE A 10 10.329 -1.893 3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.081 -3.920 3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.375 -2.568 4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.544 -3.086 0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.170 -3.630 1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.752 -4.643 1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.677 -1.983 2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.137 -0.986 2.627 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.838 -2.360 1.535 1.00 0.00 H new ATOM 164 N ARG A 11 12.065 -5.383 3.218 1.00 0.00 N ATOM 165 CA ARG A 11 13.273 -5.997 2.633 1.00 0.00 C ATOM 166 C ARG A 11 12.919 -6.574 1.260 1.00 0.00 C ATOM 167 O ARG A 11 13.770 -7.056 0.539 1.00 0.00 O ATOM 168 CB ARG A 11 13.738 -7.119 3.552 1.00 0.00 C ATOM 169 CG ARG A 11 14.430 -6.519 4.774 1.00 0.00 C ATOM 170 CD ARG A 11 15.870 -7.030 4.853 1.00 0.00 C ATOM 171 NE ARG A 11 16.806 -5.946 4.443 1.00 0.00 N ATOM 172 CZ ARG A 11 18.080 -6.048 4.709 1.00 0.00 C ATOM 173 NH1 ARG A 11 18.470 -6.524 5.860 1.00 0.00 N ATOM 174 NH2 ARG A 11 18.964 -5.676 3.824 1.00 0.00 N ATOM 0 H ARG A 11 11.258 -6.004 3.277 1.00 0.00 H new ATOM 0 HA ARG A 11 14.064 -5.255 2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.887 -7.725 3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.423 -7.780 3.020 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.423 -5.431 4.710 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.888 -6.789 5.680 1.00 0.00 H new ATOM 0 HD2 ARG A 11 16.096 -7.355 5.868 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.995 -7.897 4.205 1.00 0.00 H new ATOM 0 HE ARG A 11 16.451 -5.124 3.954 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.779 -6.816 6.551 1.00 0.00 H new ATOM 0 HH12 ARG A 11 19.465 -6.604 6.068 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.660 -5.305 2.924 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.959 -5.756 4.032 1.00 0.00 H new ATOM 188 N SER A 12 11.662 -6.532 0.894 1.00 0.00 N ATOM 189 CA SER A 12 11.253 -7.082 -0.429 1.00 0.00 C ATOM 190 C SER A 12 9.793 -6.715 -0.715 1.00 0.00 C ATOM 191 O SER A 12 9.054 -6.307 0.165 1.00 0.00 O ATOM 192 CB SER A 12 11.399 -8.604 -0.412 1.00 0.00 C ATOM 193 OG SER A 12 11.299 -9.071 0.927 1.00 0.00 O ATOM 0 H SER A 12 10.905 -6.141 1.455 1.00 0.00 H new ATOM 0 HA SER A 12 11.889 -6.660 -1.207 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.625 -9.062 -1.028 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.359 -8.893 -0.839 1.00 0.00 H new ATOM 0 HG SER A 12 11.391 -10.047 0.941 1.00 0.00 H new ATOM 199 N ILE A 13 9.367 -6.859 -1.941 1.00 0.00 N ATOM 200 CA ILE A 13 7.958 -6.521 -2.278 1.00 0.00 C ATOM 201 C ILE A 13 7.026 -7.261 -1.321 1.00 0.00 C ATOM 202 O ILE A 13 6.125 -6.680 -0.749 1.00 0.00 O ATOM 203 CB ILE A 13 7.656 -6.936 -3.720 1.00 0.00 C ATOM 204 CG1 ILE A 13 6.294 -6.373 -4.145 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.623 -8.461 -3.814 1.00 0.00 C ATOM 206 CD1 ILE A 13 6.176 -4.907 -3.714 1.00 0.00 C ATOM 0 H ILE A 13 9.933 -7.195 -2.720 1.00 0.00 H new ATOM 0 HA ILE A 13 7.805 -5.446 -2.181 1.00 0.00 H new ATOM 0 HB ILE A 13 8.432 -6.544 -4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.179 -6.453 -5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.492 -6.959 -3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.408 -8.758 -4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.590 -8.865 -3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.847 -8.850 -3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.206 -4.515 -4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.270 -4.838 -2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.968 -4.324 -4.185 1.00 0.00 H new ATOM 218 N SER A 14 7.241 -8.534 -1.122 1.00 0.00 N ATOM 219 CA SER A 14 6.371 -9.286 -0.181 1.00 0.00 C ATOM 220 C SER A 14 6.269 -8.477 1.107 1.00 0.00 C ATOM 221 O SER A 14 5.202 -8.275 1.651 1.00 0.00 O ATOM 222 CB SER A 14 6.995 -10.648 0.116 1.00 0.00 C ATOM 223 OG SER A 14 6.852 -11.489 -1.021 1.00 0.00 O ATOM 0 H SER A 14 7.978 -9.080 -1.569 1.00 0.00 H new ATOM 0 HA SER A 14 5.383 -9.441 -0.614 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.050 -10.531 0.366 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.511 -11.102 0.981 1.00 0.00 H new ATOM 0 HG SER A 14 7.253 -12.363 -0.834 1.00 0.00 H new ATOM 229 N ASP A 15 7.384 -7.998 1.584 1.00 0.00 N ATOM 230 CA ASP A 15 7.383 -7.181 2.820 1.00 0.00 C ATOM 231 C ASP A 15 6.454 -5.987 2.627 1.00 0.00 C ATOM 232 O ASP A 15 5.688 -5.634 3.497 1.00 0.00 O ATOM 233 CB ASP A 15 8.795 -6.669 3.085 1.00 0.00 C ATOM 234 CG ASP A 15 9.274 -7.162 4.452 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.557 -6.958 5.418 1.00 0.00 O ATOM 236 OD2 ASP A 15 10.349 -7.735 4.510 1.00 0.00 O ATOM 0 H ASP A 15 8.302 -8.141 1.163 1.00 0.00 H new ATOM 0 HA ASP A 15 7.044 -7.787 3.660 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.471 -7.018 2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.809 -5.579 3.055 1.00 0.00 H new ATOM 241 N LEU A 16 6.519 -5.367 1.483 1.00 0.00 N ATOM 242 CA LEU A 16 5.638 -4.195 1.218 1.00 0.00 C ATOM 243 C LEU A 16 4.192 -4.615 1.460 1.00 0.00 C ATOM 244 O LEU A 16 3.471 -4.019 2.240 1.00 0.00 O ATOM 245 CB LEU A 16 5.808 -3.762 -0.240 1.00 0.00 C ATOM 246 CG LEU A 16 5.124 -2.412 -0.467 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.727 -1.364 0.470 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.335 -1.975 -1.919 1.00 0.00 C ATOM 0 H LEU A 16 7.145 -5.621 0.719 1.00 0.00 H new ATOM 0 HA LEU A 16 5.900 -3.365 1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.868 -3.688 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.379 -4.513 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 16 4.058 -2.508 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.237 -0.404 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.580 -1.674 1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.794 -1.266 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.849 -1.013 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.402 -1.881 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.904 -2.719 -2.589 1.00 0.00 H new ATOM 260 N HIS A 17 3.776 -5.654 0.800 1.00 0.00 N ATOM 261 CA HIS A 17 2.393 -6.157 0.974 1.00 0.00 C ATOM 262 C HIS A 17 2.214 -6.616 2.421 1.00 0.00 C ATOM 263 O HIS A 17 1.114 -6.704 2.928 1.00 0.00 O ATOM 264 CB HIS A 17 2.183 -7.331 0.019 1.00 0.00 C ATOM 265 CG HIS A 17 2.507 -6.891 -1.382 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.766 -5.922 -2.041 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.492 -7.271 -2.259 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.313 -5.753 -3.258 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.368 -6.550 -3.443 1.00 0.00 N ATOM 0 H HIS A 17 4.344 -6.183 0.138 1.00 0.00 H new ATOM 0 HA HIS A 17 1.666 -5.375 0.755 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.819 -8.168 0.307 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.152 -7.681 0.074 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.248 -8.016 -2.061 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.944 -5.057 -3.996 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.957 -6.616 -4.273 1.00 0.00 H new ATOM 277 N GLN A 18 3.294 -6.902 3.093 1.00 0.00 N ATOM 278 CA GLN A 18 3.200 -7.345 4.501 1.00 0.00 C ATOM 279 C GLN A 18 2.717 -6.178 5.358 1.00 0.00 C ATOM 280 O GLN A 18 1.725 -6.271 6.056 1.00 0.00 O ATOM 281 CB GLN A 18 4.577 -7.799 4.987 1.00 0.00 C ATOM 282 CG GLN A 18 4.415 -8.724 6.195 1.00 0.00 C ATOM 283 CD GLN A 18 4.600 -10.177 5.754 1.00 0.00 C ATOM 284 OE1 GLN A 18 3.913 -10.648 4.869 1.00 0.00 O ATOM 285 NE2 GLN A 18 5.506 -10.913 6.339 1.00 0.00 N ATOM 0 H GLN A 18 4.242 -6.846 2.720 1.00 0.00 H new ATOM 0 HA GLN A 18 2.499 -8.176 4.580 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.103 -8.318 4.186 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.182 -6.934 5.257 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.147 -8.470 6.962 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.429 -8.590 6.639 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.083 -10.518 7.082 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.637 -11.883 6.053 1.00 0.00 H new ATOM 294 N THR A 19 3.411 -5.073 5.309 1.00 0.00 N ATOM 295 CA THR A 19 2.993 -3.905 6.115 1.00 0.00 C ATOM 296 C THR A 19 1.598 -3.480 5.647 1.00 0.00 C ATOM 297 O THR A 19 0.738 -3.173 6.440 1.00 0.00 O ATOM 298 CB THR A 19 4.023 -2.764 5.952 1.00 0.00 C ATOM 299 OG1 THR A 19 4.604 -2.486 7.218 1.00 0.00 O ATOM 300 CG2 THR A 19 3.360 -1.482 5.431 1.00 0.00 C ATOM 0 H THR A 19 4.249 -4.935 4.744 1.00 0.00 H new ATOM 0 HA THR A 19 2.951 -4.156 7.175 1.00 0.00 H new ATOM 0 HB THR A 19 4.777 -3.085 5.233 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.261 -1.764 7.125 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.112 -0.700 5.328 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.904 -1.677 4.461 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.593 -1.157 6.134 1.00 0.00 H new ATOM 308 N LEU A 20 1.367 -3.472 4.364 1.00 0.00 N ATOM 309 CA LEU A 20 0.033 -3.087 3.856 1.00 0.00 C ATOM 310 C LEU A 20 -1.006 -4.029 4.459 1.00 0.00 C ATOM 311 O LEU A 20 -2.114 -3.656 4.756 1.00 0.00 O ATOM 312 CB LEU A 20 0.025 -3.226 2.338 1.00 0.00 C ATOM 313 CG LEU A 20 0.880 -2.122 1.714 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.889 -2.288 0.196 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.299 -0.752 2.079 1.00 0.00 C ATOM 0 H LEU A 20 2.051 -3.717 3.648 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.197 -2.057 4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.411 -4.204 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.997 -3.164 1.963 1.00 0.00 H new ATOM 0 HG LEU A 20 1.899 -2.192 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.498 -1.503 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.306 -3.262 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.130 -2.218 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.910 0.033 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.721 -0.677 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.294 -0.636 3.163 1.00 0.00 H new ATOM 327 N LYS A 21 -0.634 -5.257 4.633 1.00 0.00 N ATOM 328 CA LYS A 21 -1.562 -6.269 5.214 1.00 0.00 C ATOM 329 C LYS A 21 -1.843 -5.937 6.679 1.00 0.00 C ATOM 330 O LYS A 21 -2.965 -6.003 7.132 1.00 0.00 O ATOM 331 CB LYS A 21 -0.915 -7.652 5.133 1.00 0.00 C ATOM 332 CG LYS A 21 -1.834 -8.686 5.789 1.00 0.00 C ATOM 333 CD LYS A 21 -1.781 -9.995 4.998 1.00 0.00 C ATOM 334 CE LYS A 21 -0.858 -10.986 5.709 1.00 0.00 C ATOM 335 NZ LYS A 21 -0.008 -11.683 4.702 1.00 0.00 N ATOM 0 H LYS A 21 0.291 -5.615 4.394 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.497 -6.260 4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.734 -7.920 4.092 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.054 -7.642 5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.525 -8.860 6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.857 -8.310 5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.782 -10.417 4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.420 -9.807 3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.231 -10.462 6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.448 -11.712 6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.620 -12.357 5.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.615 -12.195 4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.565 -10.984 4.188 1.00 0.00 H new ATOM 349 N LYS A 22 -0.836 -5.584 7.427 1.00 0.00 N ATOM 350 CA LYS A 22 -1.057 -5.251 8.855 1.00 0.00 C ATOM 351 C LYS A 22 -1.955 -4.022 8.935 1.00 0.00 C ATOM 352 O LYS A 22 -3.022 -4.041 9.516 1.00 0.00 O ATOM 353 CB LYS A 22 0.284 -4.935 9.514 1.00 0.00 C ATOM 354 CG LYS A 22 0.805 -6.178 10.240 1.00 0.00 C ATOM 355 CD LYS A 22 1.803 -6.914 9.343 1.00 0.00 C ATOM 356 CE LYS A 22 1.083 -8.031 8.586 1.00 0.00 C ATOM 357 NZ LYS A 22 1.544 -9.354 9.094 1.00 0.00 N ATOM 0 H LYS A 22 0.130 -5.513 7.108 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.524 -6.093 9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.004 -4.613 8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.169 -4.111 10.219 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.284 -5.891 11.176 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.025 -6.837 10.496 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.257 -6.217 8.639 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.611 -7.330 9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.005 -7.936 8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.285 -7.949 7.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.054 -10.113 8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.570 -9.443 8.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.330 -9.430 10.109 1.00 0.00 H new ATOM 371 N GLU A 23 -1.518 -2.957 8.334 1.00 0.00 N ATOM 372 CA GLU A 23 -2.303 -1.704 8.327 1.00 0.00 C ATOM 373 C GLU A 23 -3.702 -1.997 7.795 1.00 0.00 C ATOM 374 O GLU A 23 -4.688 -1.937 8.504 1.00 0.00 O ATOM 375 CB GLU A 23 -1.604 -0.722 7.392 1.00 0.00 C ATOM 376 CG GLU A 23 -0.194 -0.438 7.911 1.00 0.00 C ATOM 377 CD GLU A 23 0.657 0.136 6.778 1.00 0.00 C ATOM 378 OE1 GLU A 23 0.127 0.303 5.692 1.00 0.00 O ATOM 379 OE2 GLU A 23 1.823 0.396 7.016 1.00 0.00 O ATOM 0 H GLU A 23 -0.629 -2.904 7.837 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.378 -1.288 9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.556 -1.135 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.174 0.205 7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.235 0.266 8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.257 -1.354 8.291 1.00 0.00 H new ATOM 386 N LEU A 24 -3.775 -2.320 6.540 1.00 0.00 N ATOM 387 CA LEU A 24 -5.071 -2.638 5.897 1.00 0.00 C ATOM 388 C LEU A 24 -5.725 -3.823 6.609 1.00 0.00 C ATOM 389 O LEU A 24 -6.885 -4.120 6.400 1.00 0.00 O ATOM 390 CB LEU A 24 -4.794 -3.015 4.443 1.00 0.00 C ATOM 391 CG LEU A 24 -4.118 -1.844 3.731 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.066 -2.381 2.760 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.165 -1.040 2.958 1.00 0.00 C ATOM 0 H LEU A 24 -2.969 -2.378 5.918 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.740 -1.779 5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.155 -3.897 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.726 -3.271 3.939 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.639 -1.198 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.582 -1.548 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.319 -2.952 3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.546 -3.027 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.681 -0.205 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.646 -1.683 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.915 -0.658 3.651 1.00 0.00 H new ATOM 405 N ALA A 25 -4.990 -4.514 7.438 1.00 0.00 N ATOM 406 CA ALA A 25 -5.569 -5.683 8.142 1.00 0.00 C ATOM 407 C ALA A 25 -6.193 -6.621 7.112 1.00 0.00 C ATOM 408 O ALA A 25 -7.297 -7.100 7.274 1.00 0.00 O ATOM 409 CB ALA A 25 -6.627 -5.193 9.122 1.00 0.00 C ATOM 0 H ALA A 25 -4.013 -4.316 7.655 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.796 -6.221 8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.060 -6.045 9.646 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.169 -4.517 9.844 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.410 -4.665 8.578 1.00 0.00 H new ATOM 415 N LEU A 26 -5.481 -6.885 6.050 1.00 0.00 N ATOM 416 CA LEU A 26 -6.009 -7.791 4.993 1.00 0.00 C ATOM 417 C LEU A 26 -6.092 -9.215 5.549 1.00 0.00 C ATOM 418 O LEU A 26 -5.464 -9.524 6.542 1.00 0.00 O ATOM 419 CB LEU A 26 -5.063 -7.769 3.787 1.00 0.00 C ATOM 420 CG LEU A 26 -4.737 -6.323 3.406 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.628 -6.313 2.357 1.00 0.00 C ATOM 422 CD2 LEU A 26 -5.986 -5.649 2.833 1.00 0.00 C ATOM 0 H LEU A 26 -4.550 -6.509 5.869 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.000 -7.459 4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.145 -8.307 4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.524 -8.281 2.943 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.407 -5.780 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.394 -5.284 2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.737 -6.792 2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.959 -6.857 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.752 -4.619 2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.318 -6.191 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.779 -5.656 3.581 1.00 0.00 H new ATOM 434 N PRO A 27 -6.864 -10.044 4.893 1.00 0.00 N ATOM 435 CA PRO A 27 -7.037 -11.444 5.312 1.00 0.00 C ATOM 436 C PRO A 27 -5.692 -12.168 5.279 1.00 0.00 C ATOM 437 O PRO A 27 -4.667 -11.582 4.990 1.00 0.00 O ATOM 438 CB PRO A 27 -8.000 -12.046 4.280 1.00 0.00 C ATOM 439 CG PRO A 27 -8.411 -10.916 3.303 1.00 0.00 C ATOM 440 CD PRO A 27 -7.622 -9.657 3.689 1.00 0.00 C ATOM 0 HA PRO A 27 -7.421 -11.532 6.328 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.520 -12.862 3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.878 -12.463 4.774 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.195 -11.203 2.274 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.483 -10.729 3.363 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.955 -9.345 2.885 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.289 -8.819 3.893 1.00 0.00 H new ATOM 448 N GLU A 28 -5.685 -13.439 5.567 1.00 0.00 N ATOM 449 CA GLU A 28 -4.404 -14.195 5.544 1.00 0.00 C ATOM 450 C GLU A 28 -4.059 -14.544 4.098 1.00 0.00 C ATOM 451 O GLU A 28 -2.933 -14.869 3.777 1.00 0.00 O ATOM 452 CB GLU A 28 -4.557 -15.483 6.352 1.00 0.00 C ATOM 453 CG GLU A 28 -4.440 -15.168 7.844 1.00 0.00 C ATOM 454 CD GLU A 28 -3.649 -16.278 8.539 1.00 0.00 C ATOM 455 OE1 GLU A 28 -4.149 -17.389 8.597 1.00 0.00 O ATOM 456 OE2 GLU A 28 -2.555 -15.997 9.002 1.00 0.00 O ATOM 0 H GLU A 28 -6.509 -13.986 5.817 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.610 -13.587 5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.522 -15.944 6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.790 -16.201 6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.943 -14.209 7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.432 -15.081 8.287 1.00 0.00 H new ATOM 463 N TYR A 29 -5.023 -14.477 3.221 1.00 0.00 N ATOM 464 CA TYR A 29 -4.754 -14.803 1.795 1.00 0.00 C ATOM 465 C TYR A 29 -4.496 -13.512 1.017 1.00 0.00 C ATOM 466 O TYR A 29 -4.495 -13.504 -0.198 1.00 0.00 O ATOM 467 CB TYR A 29 -5.962 -15.529 1.199 1.00 0.00 C ATOM 468 CG TYR A 29 -7.228 -14.793 1.566 1.00 0.00 C ATOM 469 CD1 TYR A 29 -7.691 -13.750 0.757 1.00 0.00 C ATOM 470 CD2 TYR A 29 -7.939 -15.155 2.717 1.00 0.00 C ATOM 471 CE1 TYR A 29 -8.866 -13.069 1.097 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.114 -14.473 3.057 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.577 -13.430 2.247 1.00 0.00 C ATOM 474 OH TYR A 29 -10.735 -12.758 2.582 1.00 0.00 O ATOM 0 H TYR A 29 -5.985 -14.210 3.432 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.877 -15.447 1.729 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.865 -15.588 0.115 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.004 -16.553 1.571 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.142 -13.470 -0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.581 -15.960 3.342 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.224 -12.265 0.471 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.663 -14.752 3.944 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.104 -13.134 3.408 1.00 0.00 H new ATOM 484 N TYR A 30 -4.278 -12.419 1.706 1.00 0.00 N ATOM 485 CA TYR A 30 -4.018 -11.130 0.994 1.00 0.00 C ATOM 486 C TYR A 30 -3.077 -11.389 -0.183 1.00 0.00 C ATOM 487 O TYR A 30 -1.903 -11.644 -0.004 1.00 0.00 O ATOM 488 CB TYR A 30 -3.367 -10.120 1.953 1.00 0.00 C ATOM 489 CG TYR A 30 -2.739 -8.989 1.159 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.332 -8.556 -0.033 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.560 -8.379 1.613 1.00 0.00 C ATOM 492 CE1 TYR A 30 -2.749 -7.516 -0.769 1.00 0.00 C ATOM 493 CE2 TYR A 30 -0.976 -7.336 0.877 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.573 -6.907 -0.314 1.00 0.00 C ATOM 495 OH TYR A 30 -1.001 -5.883 -1.042 1.00 0.00 O ATOM 0 H TYR A 30 -4.269 -12.363 2.724 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.962 -10.721 0.634 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.114 -9.723 2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.609 -10.616 2.559 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.239 -9.024 -0.385 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.100 -8.713 2.531 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.207 -7.184 -1.689 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.069 -6.866 1.229 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.071 -6.110 -1.250 1.00 0.00 H new ATOM 505 N GLY A 31 -3.580 -11.323 -1.383 1.00 0.00 N ATOM 506 CA GLY A 31 -2.706 -11.562 -2.564 1.00 0.00 C ATOM 507 C GLY A 31 -1.473 -10.664 -2.465 1.00 0.00 C ATOM 508 O GLY A 31 -0.535 -10.968 -1.757 1.00 0.00 O ATOM 0 H GLY A 31 -4.555 -11.115 -1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.406 -12.609 -2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.251 -11.351 -3.484 1.00 0.00 H new ATOM 512 N GLU A 32 -1.482 -9.559 -3.166 1.00 0.00 N ATOM 513 CA GLU A 32 -0.324 -8.611 -3.132 1.00 0.00 C ATOM 514 C GLU A 32 -0.259 -7.850 -4.456 1.00 0.00 C ATOM 515 O GLU A 32 0.401 -6.838 -4.571 1.00 0.00 O ATOM 516 CB GLU A 32 0.990 -9.377 -2.944 1.00 0.00 C ATOM 517 CG GLU A 32 0.984 -10.629 -3.825 1.00 0.00 C ATOM 518 CD GLU A 32 2.035 -10.484 -4.927 1.00 0.00 C ATOM 519 OE1 GLU A 32 1.702 -9.941 -5.968 1.00 0.00 O ATOM 520 OE2 GLU A 32 3.155 -10.917 -4.711 1.00 0.00 O ATOM 0 H GLU A 32 -2.252 -9.269 -3.769 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.461 -7.921 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.835 -8.740 -3.205 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.113 -9.657 -1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.194 -11.512 -3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.003 -10.772 -4.266 1.00 0.00 H new ATOM 527 N ASN A 33 -0.930 -8.337 -5.461 1.00 0.00 N ATOM 528 CA ASN A 33 -0.892 -7.650 -6.781 1.00 0.00 C ATOM 529 C ASN A 33 -1.851 -6.459 -6.786 1.00 0.00 C ATOM 530 O ASN A 33 -2.439 -6.109 -5.784 1.00 0.00 O ATOM 531 CB ASN A 33 -1.289 -8.625 -7.896 1.00 0.00 C ATOM 532 CG ASN A 33 -2.457 -9.513 -7.450 1.00 0.00 C ATOM 533 OD1 ASN A 33 -3.596 -9.237 -7.767 1.00 0.00 O ATOM 534 ND2 ASN A 33 -2.223 -10.583 -6.740 1.00 0.00 N ATOM 0 H ASN A 33 -1.503 -9.180 -5.426 1.00 0.00 H new ATOM 0 HA ASN A 33 0.124 -7.295 -6.955 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.570 -8.068 -8.790 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.435 -9.247 -8.163 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.996 -11.184 -6.453 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.267 -10.818 -6.472 1.00 0.00 H new ATOM 541 N LEU A 34 -2.004 -5.837 -7.921 1.00 0.00 N ATOM 542 CA LEU A 34 -2.917 -4.664 -8.034 1.00 0.00 C ATOM 543 C LEU A 34 -4.363 -5.129 -7.904 1.00 0.00 C ATOM 544 O LEU A 34 -5.188 -4.499 -7.283 1.00 0.00 O ATOM 545 CB LEU A 34 -2.746 -4.054 -9.416 1.00 0.00 C ATOM 546 CG LEU A 34 -1.275 -3.709 -9.657 1.00 0.00 C ATOM 547 CD1 LEU A 34 -1.099 -3.201 -11.089 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.835 -2.622 -8.675 1.00 0.00 C ATOM 0 H LEU A 34 -1.530 -6.094 -8.787 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.683 -3.942 -7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.094 -4.753 -10.177 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.358 -3.156 -9.505 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.666 -4.600 -9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.051 -2.955 -11.262 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.410 -3.975 -11.790 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.710 -2.310 -11.237 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.213 -2.378 -8.848 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.445 -1.730 -8.822 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.960 -2.982 -7.654 1.00 0.00 H new ATOM 560 N ASP A 35 -4.664 -6.219 -8.527 1.00 0.00 N ATOM 561 CA ASP A 35 -6.045 -6.766 -8.500 1.00 0.00 C ATOM 562 C ASP A 35 -6.452 -7.133 -7.076 1.00 0.00 C ATOM 563 O ASP A 35 -7.579 -6.931 -6.668 1.00 0.00 O ATOM 564 CB ASP A 35 -6.064 -8.035 -9.338 1.00 0.00 C ATOM 565 CG ASP A 35 -5.846 -7.685 -10.811 1.00 0.00 C ATOM 566 OD1 ASP A 35 -6.746 -7.112 -11.403 1.00 0.00 O ATOM 567 OD2 ASP A 35 -4.783 -7.996 -11.322 1.00 0.00 O ATOM 0 H ASP A 35 -3.999 -6.771 -9.068 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.735 -6.016 -8.886 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.286 -8.718 -8.998 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.017 -8.550 -9.214 1.00 0.00 H new ATOM 572 N ALA A 36 -5.548 -7.685 -6.323 1.00 0.00 N ATOM 573 CA ALA A 36 -5.890 -8.085 -4.928 1.00 0.00 C ATOM 574 C ALA A 36 -5.806 -6.870 -4.032 1.00 0.00 C ATOM 575 O ALA A 36 -6.774 -6.450 -3.436 1.00 0.00 O ATOM 576 CB ALA A 36 -4.906 -9.135 -4.425 1.00 0.00 C ATOM 0 H ALA A 36 -4.588 -7.878 -6.609 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.898 -8.500 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.166 -9.419 -3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.951 -10.013 -5.069 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.896 -8.725 -4.441 1.00 0.00 H new ATOM 582 N LEU A 37 -4.644 -6.301 -3.948 1.00 0.00 N ATOM 583 CA LEU A 37 -4.462 -5.091 -3.107 1.00 0.00 C ATOM 584 C LEU A 37 -5.641 -4.161 -3.368 1.00 0.00 C ATOM 585 O LEU A 37 -6.330 -3.696 -2.469 1.00 0.00 O ATOM 586 CB LEU A 37 -3.166 -4.401 -3.526 1.00 0.00 C ATOM 587 CG LEU A 37 -3.166 -2.961 -3.014 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.120 -2.961 -1.485 1.00 0.00 C ATOM 589 CD2 LEU A 37 -1.943 -2.223 -3.563 1.00 0.00 C ATOM 0 H LEU A 37 -3.804 -6.623 -4.429 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.413 -5.349 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.308 -4.941 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.070 -4.412 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.073 -2.458 -3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.120 -1.934 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.993 -3.484 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.214 -3.465 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.943 -1.196 -3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.035 -2.726 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.978 -2.220 -4.652 1.00 0.00 H new ATOM 601 N TRP A 38 -5.873 -3.902 -4.613 1.00 0.00 N ATOM 602 CA TRP A 38 -6.992 -3.032 -4.998 1.00 0.00 C ATOM 603 C TRP A 38 -8.270 -3.638 -4.474 1.00 0.00 C ATOM 604 O TRP A 38 -9.034 -3.012 -3.769 1.00 0.00 O ATOM 605 CB TRP A 38 -7.095 -2.962 -6.512 1.00 0.00 C ATOM 606 CG TRP A 38 -8.271 -2.125 -6.841 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.531 -2.575 -6.947 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.318 -0.701 -7.061 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.363 -1.506 -7.239 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.652 -0.323 -7.318 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.332 0.285 -7.067 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.993 1.006 -7.569 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.657 1.613 -7.312 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.988 1.984 -7.564 1.00 0.00 C ATOM 0 H TRP A 38 -5.323 -4.265 -5.391 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.831 -2.034 -4.590 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.188 -2.533 -6.938 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.205 -3.960 -6.935 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.845 -3.601 -6.825 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.371 -1.582 -7.378 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.304 0.013 -6.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.019 1.279 -7.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.882 2.365 -7.309 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.236 3.018 -7.753 1.00 0.00 H new ATOM 625 N ASP A 39 -8.497 -4.868 -4.819 1.00 0.00 N ATOM 626 CA ASP A 39 -9.720 -5.557 -4.348 1.00 0.00 C ATOM 627 C ASP A 39 -9.900 -5.234 -2.869 1.00 0.00 C ATOM 628 O ASP A 39 -10.999 -5.206 -2.352 1.00 0.00 O ATOM 629 CB ASP A 39 -9.570 -7.065 -4.538 1.00 0.00 C ATOM 630 CG ASP A 39 -10.523 -7.541 -5.636 1.00 0.00 C ATOM 631 OD1 ASP A 39 -10.647 -6.843 -6.629 1.00 0.00 O ATOM 632 OD2 ASP A 39 -11.114 -8.594 -5.464 1.00 0.00 O ATOM 0 H ASP A 39 -7.884 -5.429 -5.411 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.588 -5.223 -4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.541 -7.308 -4.805 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.788 -7.583 -3.604 1.00 0.00 H new ATOM 637 N CYS A 40 -8.816 -4.965 -2.192 1.00 0.00 N ATOM 638 CA CYS A 40 -8.904 -4.616 -0.757 1.00 0.00 C ATOM 639 C CYS A 40 -9.397 -3.171 -0.628 1.00 0.00 C ATOM 640 O CYS A 40 -10.340 -2.892 0.084 1.00 0.00 O ATOM 641 CB CYS A 40 -7.520 -4.744 -0.123 1.00 0.00 C ATOM 642 SG CYS A 40 -6.730 -6.267 -0.701 1.00 0.00 S ATOM 0 H CYS A 40 -7.872 -4.974 -2.579 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.597 -5.287 -0.250 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.907 -3.882 -0.385 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.606 -4.756 0.964 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.623 -6.236 -1.996 1.00 0.00 H new ATOM 648 N LEU A 41 -8.765 -2.243 -1.307 1.00 0.00 N ATOM 649 CA LEU A 41 -9.201 -0.830 -1.208 1.00 0.00 C ATOM 650 C LEU A 41 -10.626 -0.657 -1.744 1.00 0.00 C ATOM 651 O LEU A 41 -11.251 0.363 -1.534 1.00 0.00 O ATOM 652 CB LEU A 41 -8.265 0.031 -2.042 1.00 0.00 C ATOM 653 CG LEU A 41 -6.825 -0.427 -1.843 1.00 0.00 C ATOM 654 CD1 LEU A 41 -5.897 0.617 -2.439 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.534 -0.584 -0.349 1.00 0.00 C ATOM 0 H LEU A 41 -7.969 -2.411 -1.922 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.179 -0.532 -0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.535 -0.038 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.366 1.078 -1.754 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.669 -1.387 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.862 0.303 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.108 0.726 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.055 1.572 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.504 -0.912 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.681 0.372 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.210 -1.325 0.077 1.00 0.00 H new ATOM 667 N THR A 42 -11.141 -1.623 -2.453 1.00 0.00 N ATOM 668 CA THR A 42 -12.504 -1.476 -3.010 1.00 0.00 C ATOM 669 C THR A 42 -13.415 -2.596 -2.505 1.00 0.00 C ATOM 670 O THR A 42 -14.270 -3.078 -3.221 1.00 0.00 O ATOM 671 CB THR A 42 -12.432 -1.519 -4.538 1.00 0.00 C ATOM 672 OG1 THR A 42 -12.006 -2.809 -4.955 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.438 -0.465 -5.031 1.00 0.00 C ATOM 0 H THR A 42 -10.674 -2.504 -2.668 1.00 0.00 H new ATOM 0 HA THR A 42 -12.918 -0.521 -2.686 1.00 0.00 H new ATOM 0 HB THR A 42 -13.417 -1.311 -4.956 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.288 -2.719 -5.616 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.386 -0.495 -6.119 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.767 0.523 -4.710 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.452 -0.672 -4.615 1.00 0.00 H new ATOM 681 N GLY A 43 -13.252 -3.012 -1.280 1.00 0.00 N ATOM 682 CA GLY A 43 -14.129 -4.094 -0.749 1.00 0.00 C ATOM 683 C GLY A 43 -13.473 -4.763 0.460 1.00 0.00 C ATOM 684 O GLY A 43 -13.505 -5.970 0.601 1.00 0.00 O ATOM 0 H GLY A 43 -12.555 -2.653 -0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -15.096 -3.680 -0.464 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.316 -4.835 -1.526 1.00 0.00 H new ATOM 688 N TRP A 44 -12.881 -3.999 1.336 1.00 0.00 N ATOM 689 CA TRP A 44 -12.235 -4.614 2.526 1.00 0.00 C ATOM 690 C TRP A 44 -11.688 -3.517 3.442 1.00 0.00 C ATOM 691 O TRP A 44 -12.178 -3.301 4.533 1.00 0.00 O ATOM 692 CB TRP A 44 -11.089 -5.513 2.066 1.00 0.00 C ATOM 693 CG TRP A 44 -10.541 -6.253 3.238 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.544 -5.811 4.035 1.00 0.00 C ATOM 695 CD2 TRP A 44 -10.944 -7.549 3.761 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.303 -6.759 5.014 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.144 -7.848 4.889 1.00 0.00 C ATOM 698 CE3 TRP A 44 -11.915 -8.485 3.369 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.303 -9.036 5.603 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.080 -9.682 4.085 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.275 -9.957 5.201 1.00 0.00 C ATOM 0 H TRP A 44 -12.817 -2.983 1.279 1.00 0.00 H new ATOM 0 HA TRP A 44 -12.969 -5.205 3.074 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.443 -6.215 1.311 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.306 -4.914 1.601 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.021 -4.872 3.926 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.592 -6.665 5.739 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.539 -8.283 2.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.680 -9.243 6.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -12.830 -10.394 3.775 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.406 -10.879 5.749 1.00 0.00 H new ATOM 712 N VAL A 45 -10.670 -2.830 3.008 1.00 0.00 N ATOM 713 CA VAL A 45 -10.078 -1.754 3.846 1.00 0.00 C ATOM 714 C VAL A 45 -11.167 -0.764 4.262 1.00 0.00 C ATOM 715 O VAL A 45 -12.101 -0.509 3.528 1.00 0.00 O ATOM 716 CB VAL A 45 -9.002 -1.017 3.045 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.246 -0.061 3.969 1.00 0.00 C ATOM 718 CG2 VAL A 45 -8.021 -2.030 2.449 1.00 0.00 C ATOM 0 H VAL A 45 -10.220 -2.969 2.103 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.633 -2.197 4.737 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.473 -0.452 2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.479 0.465 3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.943 0.662 4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.777 -0.627 4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.256 -1.503 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.550 -2.596 3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.558 -2.713 1.791 1.00 0.00 H new ATOM 728 N GLU A 46 -11.053 -0.198 5.434 1.00 0.00 N ATOM 729 CA GLU A 46 -12.080 0.781 5.889 1.00 0.00 C ATOM 730 C GLU A 46 -11.526 2.199 5.744 1.00 0.00 C ATOM 731 O GLU A 46 -10.420 2.491 6.151 1.00 0.00 O ATOM 732 CB GLU A 46 -12.435 0.517 7.353 1.00 0.00 C ATOM 733 CG GLU A 46 -11.152 0.372 8.174 1.00 0.00 C ATOM 734 CD GLU A 46 -10.972 -1.090 8.584 1.00 0.00 C ATOM 735 OE1 GLU A 46 -10.986 -1.937 7.705 1.00 0.00 O ATOM 736 OE2 GLU A 46 -10.824 -1.339 9.769 1.00 0.00 O ATOM 0 H GLU A 46 -10.295 -0.371 6.094 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.977 0.674 5.279 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.039 1.336 7.745 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.035 -0.389 7.434 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.294 0.705 7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.200 1.006 9.059 1.00 0.00 H new ATOM 743 N TYR A 47 -12.290 3.079 5.161 1.00 0.00 N ATOM 744 CA TYR A 47 -11.822 4.482 4.974 1.00 0.00 C ATOM 745 C TYR A 47 -12.689 5.411 5.836 1.00 0.00 C ATOM 746 O TYR A 47 -13.699 4.979 6.354 1.00 0.00 O ATOM 747 CB TYR A 47 -11.949 4.833 3.485 1.00 0.00 C ATOM 748 CG TYR A 47 -10.940 4.033 2.680 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.885 3.363 3.319 1.00 0.00 C ATOM 750 CD2 TYR A 47 -11.058 3.961 1.287 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.960 2.631 2.568 1.00 0.00 C ATOM 752 CE2 TYR A 47 -10.133 3.222 0.543 1.00 0.00 C ATOM 753 CZ TYR A 47 -9.085 2.559 1.183 1.00 0.00 C ATOM 754 OH TYR A 47 -8.175 1.829 0.445 1.00 0.00 O ATOM 0 H TYR A 47 -13.225 2.886 4.803 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.782 4.598 5.280 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.959 4.618 3.136 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.781 5.900 3.338 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.787 3.413 4.393 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.864 4.477 0.786 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.147 2.121 3.063 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.230 3.164 -0.531 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.267 2.027 0.756 1.00 0.00 H new ATOM 764 N PRO A 48 -12.281 6.656 5.992 1.00 0.00 N ATOM 765 CA PRO A 48 -11.054 7.225 5.378 1.00 0.00 C ATOM 766 C PRO A 48 -9.788 6.501 5.846 1.00 0.00 C ATOM 767 O PRO A 48 -9.603 6.237 7.017 1.00 0.00 O ATOM 768 CB PRO A 48 -11.022 8.686 5.850 1.00 0.00 C ATOM 769 CG PRO A 48 -12.256 8.920 6.756 1.00 0.00 C ATOM 770 CD PRO A 48 -13.044 7.604 6.822 1.00 0.00 C ATOM 0 HA PRO A 48 -11.077 7.124 4.293 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.102 8.890 6.398 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.041 9.363 4.996 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.945 9.230 7.754 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.879 9.719 6.354 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -13.131 7.248 7.848 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -14.058 7.732 6.443 1.00 0.00 H new ATOM 778 N LEU A 49 -8.912 6.190 4.927 1.00 0.00 N ATOM 779 CA LEU A 49 -7.646 5.494 5.293 1.00 0.00 C ATOM 780 C LEU A 49 -6.479 6.451 5.080 1.00 0.00 C ATOM 781 O LEU A 49 -6.526 7.323 4.240 1.00 0.00 O ATOM 782 CB LEU A 49 -7.465 4.269 4.379 1.00 0.00 C ATOM 783 CG LEU A 49 -5.978 3.923 4.195 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.396 3.388 5.510 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.837 2.863 3.099 1.00 0.00 C ATOM 0 H LEU A 49 -9.021 6.390 3.933 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.682 5.176 6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.989 3.414 4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.917 4.468 3.407 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.432 4.822 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.343 3.146 5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.494 4.147 6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.938 2.491 5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.784 2.615 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.387 1.967 3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.240 3.251 2.163 1.00 0.00 H new ATOM 797 N VAL A 50 -5.413 6.263 5.797 1.00 0.00 N ATOM 798 CA VAL A 50 -4.232 7.131 5.584 1.00 0.00 C ATOM 799 C VAL A 50 -3.111 6.238 5.052 1.00 0.00 C ATOM 800 O VAL A 50 -2.839 5.186 5.592 1.00 0.00 O ATOM 801 CB VAL A 50 -3.806 7.801 6.910 1.00 0.00 C ATOM 802 CG1 VAL A 50 -2.349 7.456 7.252 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.935 9.319 6.774 1.00 0.00 C ATOM 0 H VAL A 50 -5.309 5.549 6.518 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.461 7.928 4.877 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.453 7.433 7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.071 7.938 8.189 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.245 6.376 7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.695 7.809 6.455 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.635 9.795 7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.292 9.668 5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.970 9.578 6.551 1.00 0.00 H new ATOM 813 N LEU A 51 -2.437 6.653 4.032 1.00 0.00 N ATOM 814 CA LEU A 51 -1.322 5.825 3.524 1.00 0.00 C ATOM 815 C LEU A 51 -0.048 6.638 3.648 1.00 0.00 C ATOM 816 O LEU A 51 0.428 7.227 2.697 1.00 0.00 O ATOM 817 CB LEU A 51 -1.541 5.419 2.064 1.00 0.00 C ATOM 818 CG LEU A 51 -0.450 4.418 1.671 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.696 3.095 2.391 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.476 4.168 0.166 1.00 0.00 C ATOM 0 H LEU A 51 -2.606 7.524 3.528 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.259 4.907 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.528 4.973 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.502 6.295 1.417 1.00 0.00 H new ATOM 0 HG LEU A 51 0.520 4.829 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.079 2.380 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.671 3.257 3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.672 2.701 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.305 3.455 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.448 3.764 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.304 5.106 -0.362 1.00 0.00 H new ATOM 832 N GLU A 52 0.500 6.675 4.825 1.00 0.00 N ATOM 833 CA GLU A 52 1.743 7.441 5.043 1.00 0.00 C ATOM 834 C GLU A 52 2.895 6.614 4.484 1.00 0.00 C ATOM 835 O GLU A 52 3.580 5.900 5.193 1.00 0.00 O ATOM 836 CB GLU A 52 1.923 7.672 6.544 1.00 0.00 C ATOM 837 CG GLU A 52 3.252 8.385 6.800 1.00 0.00 C ATOM 838 CD GLU A 52 3.160 9.186 8.101 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.054 9.533 8.482 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.196 9.437 8.694 1.00 0.00 O ATOM 0 H GLU A 52 0.134 6.202 5.651 1.00 0.00 H new ATOM 0 HA GLU A 52 1.710 8.410 4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.098 8.270 6.931 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.902 6.719 7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.061 7.657 6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.487 9.049 5.968 1.00 0.00 H new ATOM 847 N TRP A 53 3.085 6.688 3.196 1.00 0.00 N ATOM 848 CA TRP A 53 4.160 5.901 2.549 1.00 0.00 C ATOM 849 C TRP A 53 5.510 6.572 2.791 1.00 0.00 C ATOM 850 O TRP A 53 5.850 7.554 2.162 1.00 0.00 O ATOM 851 CB TRP A 53 3.888 5.820 1.048 1.00 0.00 C ATOM 852 CG TRP A 53 4.560 4.608 0.502 1.00 0.00 C ATOM 853 CD1 TRP A 53 5.881 4.347 0.613 1.00 0.00 C ATOM 854 CD2 TRP A 53 3.977 3.489 -0.226 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.150 3.142 -0.004 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.011 2.575 -0.536 1.00 0.00 C ATOM 857 CE3 TRP A 53 2.667 3.179 -0.648 1.00 0.00 C ATOM 858 CZ2 TRP A 53 4.762 1.400 -1.234 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.414 1.990 -1.356 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.461 1.103 -1.648 1.00 0.00 C ATOM 0 H TRP A 53 2.534 7.267 2.562 1.00 0.00 H new ATOM 0 HA TRP A 53 4.182 4.897 2.973 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.815 5.773 0.861 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.260 6.715 0.548 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.607 4.978 1.104 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.078 2.722 -0.060 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.856 3.857 -0.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.570 0.719 -1.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.409 1.759 -1.676 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.262 0.192 -2.192 1.00 0.00 H new ATOM 871 N ARG A 54 6.283 6.048 3.700 1.00 0.00 N ATOM 872 CA ARG A 54 7.612 6.653 3.986 1.00 0.00 C ATOM 873 C ARG A 54 8.699 5.887 3.231 1.00 0.00 C ATOM 874 O ARG A 54 8.669 4.675 3.142 1.00 0.00 O ATOM 875 CB ARG A 54 7.892 6.576 5.488 1.00 0.00 C ATOM 876 CG ARG A 54 8.822 7.720 5.893 1.00 0.00 C ATOM 877 CD ARG A 54 8.808 7.876 7.415 1.00 0.00 C ATOM 878 NE ARG A 54 10.110 7.412 7.973 1.00 0.00 N ATOM 879 CZ ARG A 54 10.442 7.723 9.196 1.00 0.00 C ATOM 880 NH1 ARG A 54 10.400 8.967 9.588 1.00 0.00 N ATOM 881 NH2 ARG A 54 10.818 6.790 10.027 1.00 0.00 N ATOM 0 H ARG A 54 6.051 5.226 4.258 1.00 0.00 H new ATOM 0 HA ARG A 54 7.611 7.694 3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.958 6.638 6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.348 5.617 5.735 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.836 7.518 5.547 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.502 8.648 5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.636 8.918 7.683 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.990 7.297 7.843 1.00 0.00 H new ATOM 0 HE ARG A 54 10.741 6.852 7.399 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.108 9.697 8.938 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.660 9.209 10.544 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.852 5.818 9.721 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.078 7.033 10.983 1.00 0.00 H new ATOM 895 N GLN A 55 9.665 6.586 2.699 1.00 0.00 N ATOM 896 CA GLN A 55 10.769 5.909 1.961 1.00 0.00 C ATOM 897 C GLN A 55 10.319 5.536 0.546 1.00 0.00 C ATOM 898 O GLN A 55 10.856 4.631 -0.060 1.00 0.00 O ATOM 899 CB GLN A 55 11.185 4.641 2.712 1.00 0.00 C ATOM 900 CG GLN A 55 12.673 4.376 2.481 1.00 0.00 C ATOM 901 CD GLN A 55 13.462 4.768 3.731 1.00 0.00 C ATOM 902 OE1 GLN A 55 12.969 5.492 4.573 1.00 0.00 O ATOM 903 NE2 GLN A 55 14.676 4.317 3.889 1.00 0.00 N ATOM 0 H GLN A 55 9.737 7.602 2.744 1.00 0.00 H new ATOM 0 HA GLN A 55 11.615 6.593 1.893 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.986 4.755 3.778 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.596 3.791 2.367 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.834 3.323 2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.026 4.947 1.622 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.090 3.709 3.182 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.211 4.572 4.719 1.00 0.00 H new ATOM 912 N PHE A 56 9.352 6.226 0.002 1.00 0.00 N ATOM 913 CA PHE A 56 8.905 5.893 -1.381 1.00 0.00 C ATOM 914 C PHE A 56 10.113 5.966 -2.314 1.00 0.00 C ATOM 915 O PHE A 56 11.063 6.668 -2.036 1.00 0.00 O ATOM 916 CB PHE A 56 7.855 6.898 -1.847 1.00 0.00 C ATOM 917 CG PHE A 56 7.016 6.269 -2.932 1.00 0.00 C ATOM 918 CD1 PHE A 56 5.961 5.415 -2.593 1.00 0.00 C ATOM 919 CD2 PHE A 56 7.297 6.533 -4.278 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.186 4.826 -3.598 1.00 0.00 C ATOM 921 CE2 PHE A 56 6.523 5.943 -5.284 1.00 0.00 C ATOM 922 CZ PHE A 56 5.467 5.089 -4.944 1.00 0.00 C ATOM 0 H PHE A 56 8.857 6.997 0.450 1.00 0.00 H new ATOM 0 HA PHE A 56 8.472 4.893 -1.394 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.224 7.198 -1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.338 7.800 -2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.745 5.210 -1.555 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.111 7.192 -4.540 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.371 4.168 -3.335 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.740 6.146 -6.322 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.869 4.633 -5.720 1.00 0.00 H new ATOM 932 N GLU A 57 10.076 5.241 -3.407 1.00 0.00 N ATOM 933 CA GLU A 57 11.216 5.233 -4.381 1.00 0.00 C ATOM 934 C GLU A 57 12.325 4.322 -3.846 1.00 0.00 C ATOM 935 O GLU A 57 12.773 3.419 -4.523 1.00 0.00 O ATOM 936 CB GLU A 57 11.766 6.643 -4.600 1.00 0.00 C ATOM 937 CG GLU A 57 11.361 7.139 -5.991 1.00 0.00 C ATOM 938 CD GLU A 57 12.317 6.571 -7.040 1.00 0.00 C ATOM 939 OE1 GLU A 57 12.727 5.432 -6.886 1.00 0.00 O ATOM 940 OE2 GLU A 57 12.623 7.284 -7.982 1.00 0.00 O ATOM 0 H GLU A 57 9.291 4.645 -3.670 1.00 0.00 H new ATOM 0 HA GLU A 57 10.854 4.861 -5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.381 7.318 -3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.852 6.640 -4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.339 6.833 -6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.381 8.228 -6.019 1.00 0.00 H new ATOM 947 N GLN A 58 12.754 4.531 -2.630 1.00 0.00 N ATOM 948 CA GLN A 58 13.796 3.658 -2.053 1.00 0.00 C ATOM 949 C GLN A 58 13.138 2.313 -1.773 1.00 0.00 C ATOM 950 O GLN A 58 13.758 1.270 -1.835 1.00 0.00 O ATOM 951 CB GLN A 58 14.327 4.267 -0.753 1.00 0.00 C ATOM 952 CG GLN A 58 15.156 5.512 -1.076 1.00 0.00 C ATOM 953 CD GLN A 58 15.373 6.329 0.200 1.00 0.00 C ATOM 954 OE1 GLN A 58 16.478 6.419 0.696 1.00 0.00 O ATOM 955 NE2 GLN A 58 14.357 6.933 0.754 1.00 0.00 N ATOM 0 H GLN A 58 12.421 5.274 -2.015 1.00 0.00 H new ATOM 0 HA GLN A 58 14.637 3.545 -2.737 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.498 4.529 -0.096 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.938 3.538 -0.220 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.116 5.221 -1.502 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.645 6.117 -1.825 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.429 6.857 0.337 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.491 7.481 1.604 1.00 0.00 H new ATOM 964 N SER A 59 11.858 2.342 -1.504 1.00 0.00 N ATOM 965 CA SER A 59 11.110 1.083 -1.260 1.00 0.00 C ATOM 966 C SER A 59 10.712 0.502 -2.618 1.00 0.00 C ATOM 967 O SER A 59 10.018 -0.491 -2.707 1.00 0.00 O ATOM 968 CB SER A 59 9.858 1.377 -0.433 1.00 0.00 C ATOM 969 OG SER A 59 9.519 0.228 0.332 1.00 0.00 O ATOM 0 H SER A 59 11.299 3.193 -1.444 1.00 0.00 H new ATOM 0 HA SER A 59 11.728 0.373 -0.711 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.035 2.227 0.226 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.031 1.648 -1.089 1.00 0.00 H new ATOM 0 HG SER A 59 8.718 0.414 0.864 1.00 0.00 H new ATOM 975 N LYS A 60 11.171 1.106 -3.681 1.00 0.00 N ATOM 976 CA LYS A 60 10.857 0.575 -5.030 1.00 0.00 C ATOM 977 C LYS A 60 12.077 -0.215 -5.506 1.00 0.00 C ATOM 978 O LYS A 60 11.990 -1.065 -6.369 1.00 0.00 O ATOM 979 CB LYS A 60 10.580 1.731 -5.993 1.00 0.00 C ATOM 980 CG LYS A 60 9.141 1.637 -6.502 1.00 0.00 C ATOM 981 CD LYS A 60 8.379 2.905 -6.114 1.00 0.00 C ATOM 982 CE LYS A 60 8.358 3.871 -7.301 1.00 0.00 C ATOM 983 NZ LYS A 60 9.330 4.974 -7.060 1.00 0.00 N ATOM 0 H LYS A 60 11.750 1.945 -3.669 1.00 0.00 H new ATOM 0 HA LYS A 60 9.973 -0.062 -4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.737 2.684 -5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.276 1.695 -6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.134 1.513 -7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.650 0.761 -6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.361 2.654 -5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.853 3.378 -5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.613 3.342 -8.219 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.356 4.278 -7.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.164 5.739 -7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.206 5.341 -6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.299 4.613 -7.171 1.00 0.00 H new ATOM 1083 N ALA A 67 6.733 -0.649 -4.937 1.00 0.00 N ATOM 1084 CA ALA A 67 5.841 0.342 -4.287 1.00 0.00 C ATOM 1085 C ALA A 67 5.098 1.192 -5.323 1.00 0.00 C ATOM 1086 O ALA A 67 4.057 1.750 -5.039 1.00 0.00 O ATOM 1087 CB ALA A 67 6.688 1.255 -3.402 1.00 0.00 C ATOM 0 HA ALA A 67 5.099 -0.194 -3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.045 1.990 -2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.194 0.658 -2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.429 1.769 -4.014 1.00 0.00 H new ATOM 1093 N GLU A 68 5.619 1.314 -6.510 1.00 0.00 N ATOM 1094 CA GLU A 68 4.940 2.142 -7.530 1.00 0.00 C ATOM 1095 C GLU A 68 3.611 1.487 -7.944 1.00 0.00 C ATOM 1096 O GLU A 68 2.701 2.150 -8.401 1.00 0.00 O ATOM 1097 CB GLU A 68 5.899 2.321 -8.725 1.00 0.00 C ATOM 1098 CG GLU A 68 5.321 1.707 -10.001 1.00 0.00 C ATOM 1099 CD GLU A 68 6.128 2.184 -11.210 1.00 0.00 C ATOM 1100 OE1 GLU A 68 7.336 2.298 -11.083 1.00 0.00 O ATOM 1101 OE2 GLU A 68 5.524 2.429 -12.241 1.00 0.00 O ATOM 0 H GLU A 68 6.487 0.874 -6.814 1.00 0.00 H new ATOM 0 HA GLU A 68 4.695 3.126 -7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.090 3.382 -8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.858 1.855 -8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.349 0.619 -9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.275 1.993 -10.113 1.00 0.00 H new ATOM 1108 N SER A 69 3.495 0.196 -7.793 1.00 0.00 N ATOM 1109 CA SER A 69 2.227 -0.488 -8.185 1.00 0.00 C ATOM 1110 C SER A 69 1.173 -0.335 -7.080 1.00 0.00 C ATOM 1111 O SER A 69 0.081 0.155 -7.311 1.00 0.00 O ATOM 1112 CB SER A 69 2.505 -1.973 -8.420 1.00 0.00 C ATOM 1113 OG SER A 69 2.105 -2.321 -9.739 1.00 0.00 O ATOM 0 H SER A 69 4.220 -0.414 -7.416 1.00 0.00 H new ATOM 0 HA SER A 69 1.847 -0.032 -9.099 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.566 -2.183 -8.282 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.963 -2.576 -7.692 1.00 0.00 H new ATOM 0 HG SER A 69 2.283 -3.272 -9.895 1.00 0.00 H new ATOM 1119 N VAL A 70 1.484 -0.753 -5.881 1.00 0.00 N ATOM 1120 CA VAL A 70 0.497 -0.635 -4.776 1.00 0.00 C ATOM 1121 C VAL A 70 0.092 0.826 -4.633 1.00 0.00 C ATOM 1122 O VAL A 70 -1.071 1.150 -4.514 1.00 0.00 O ATOM 1123 CB VAL A 70 1.126 -1.125 -3.473 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.231 -0.736 -2.294 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.272 -2.647 -3.521 1.00 0.00 C ATOM 0 H VAL A 70 2.378 -1.170 -5.623 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.381 -1.242 -4.997 1.00 0.00 H new ATOM 0 HB VAL A 70 2.108 -0.668 -3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.681 -1.086 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.125 0.348 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.751 -1.193 -2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.721 -2.999 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.290 -3.103 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.910 -2.925 -4.360 1.00 0.00 H new ATOM 1135 N LEU A 71 1.045 1.711 -4.654 1.00 0.00 N ATOM 1136 CA LEU A 71 0.708 3.152 -4.530 1.00 0.00 C ATOM 1137 C LEU A 71 -0.243 3.529 -5.657 1.00 0.00 C ATOM 1138 O LEU A 71 -1.238 4.177 -5.445 1.00 0.00 O ATOM 1139 CB LEU A 71 1.972 3.992 -4.649 1.00 0.00 C ATOM 1140 CG LEU A 71 1.593 5.472 -4.704 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.134 5.936 -3.322 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.808 6.294 -5.140 1.00 0.00 C ATOM 0 H LEU A 71 2.038 1.500 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 71 0.244 3.335 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.628 3.804 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.525 3.713 -5.546 1.00 0.00 H new ATOM 0 HG LEU A 71 0.783 5.611 -5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.864 6.991 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.268 5.352 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.942 5.796 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.538 7.349 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.618 6.153 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.134 5.966 -6.127 1.00 0.00 H new ATOM 1154 N GLN A 72 0.057 3.121 -6.859 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.841 3.453 -7.997 1.00 0.00 C ATOM 1156 C GLN A 72 -2.251 2.987 -7.654 1.00 0.00 C ATOM 1157 O GLN A 72 -3.228 3.632 -7.970 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.356 2.734 -9.256 1.00 0.00 C ATOM 1159 CG GLN A 72 -0.017 3.764 -10.335 1.00 0.00 C ATOM 1160 CD GLN A 72 -1.273 4.087 -11.147 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -1.559 5.237 -11.411 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -2.040 3.114 -11.555 1.00 0.00 N ATOM 0 H GLN A 72 0.883 2.574 -7.101 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.837 4.528 -8.176 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.522 2.130 -9.027 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.126 2.053 -9.618 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.375 4.671 -9.876 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.763 3.376 -10.991 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.800 2.148 -11.333 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.880 3.319 -12.096 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.354 1.864 -7.006 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.687 1.333 -6.623 1.00 0.00 C ATOM 1173 C VAL A 73 -4.275 2.190 -5.498 1.00 0.00 C ATOM 1174 O VAL A 73 -5.472 2.324 -5.376 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.526 -0.108 -6.133 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.775 -0.566 -5.370 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.280 -1.028 -7.332 1.00 0.00 C ATOM 0 H VAL A 73 -1.563 1.286 -6.723 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.355 1.359 -7.484 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.675 -0.155 -5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.638 -1.593 -5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.933 0.082 -4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.643 -0.514 -6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.165 -2.055 -6.985 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.127 -0.969 -8.016 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.373 -0.716 -7.850 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.449 2.756 -4.662 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.987 3.584 -3.542 1.00 0.00 C ATOM 1189 C PHE A 74 -4.459 4.944 -4.073 1.00 0.00 C ATOM 1190 O PHE A 74 -5.425 5.505 -3.598 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.897 3.783 -2.488 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.999 2.683 -1.460 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.996 2.735 -0.480 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -2.103 1.609 -1.493 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -4.097 1.712 0.470 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -2.203 0.586 -0.542 1.00 0.00 C ATOM 1197 CZ PHE A 74 -3.200 0.638 0.439 1.00 0.00 C ATOM 0 H PHE A 74 -2.432 2.683 -4.703 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.836 3.071 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.913 3.770 -2.957 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.009 4.756 -2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.688 3.564 -0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.335 1.569 -2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.867 1.751 1.227 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.511 -0.243 -0.565 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.277 -0.151 1.172 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.790 5.468 -5.061 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.188 6.773 -5.645 1.00 0.00 C ATOM 1209 C ARG A 75 -5.332 6.537 -6.615 1.00 0.00 C ATOM 1210 O ARG A 75 -6.183 7.376 -6.814 1.00 0.00 O ATOM 1211 CB ARG A 75 -3.009 7.357 -6.405 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.381 8.496 -5.601 1.00 0.00 C ATOM 1213 CD ARG A 75 -3.098 9.807 -5.932 1.00 0.00 C ATOM 1214 NE ARG A 75 -3.051 10.047 -7.404 1.00 0.00 N ATOM 1215 CZ ARG A 75 -1.988 9.720 -8.089 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -0.801 9.910 -7.581 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -2.113 9.203 -9.281 1.00 0.00 N ATOM 0 H ARG A 75 -2.972 5.038 -5.493 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.495 7.461 -4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.267 6.581 -6.593 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.338 7.725 -7.377 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.456 8.287 -4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.320 8.580 -5.836 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.133 9.762 -5.594 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.626 10.635 -5.403 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.851 10.468 -7.877 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.704 10.314 -6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.029 9.655 -8.116 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.041 9.054 -9.678 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.283 8.948 -9.816 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.351 5.380 -7.211 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.435 5.033 -8.161 1.00 0.00 C ATOM 1233 C GLU A 76 -7.695 4.827 -7.335 1.00 0.00 C ATOM 1234 O GLU A 76 -8.761 5.304 -7.665 1.00 0.00 O ATOM 1235 CB GLU A 76 -6.065 3.735 -8.868 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.340 4.032 -10.181 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.338 3.982 -11.340 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.317 3.264 -11.222 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.107 4.663 -12.325 1.00 0.00 O ATOM 0 H GLU A 76 -4.650 4.651 -7.077 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.586 5.813 -8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.428 3.130 -8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.964 3.152 -9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.870 5.014 -10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.544 3.305 -10.341 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.556 4.143 -6.230 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.707 3.929 -5.335 1.00 0.00 C ATOM 1248 C ALA A 77 -9.067 5.290 -4.764 1.00 0.00 C ATOM 1249 O ALA A 77 -10.223 5.628 -4.598 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.327 2.968 -4.205 1.00 0.00 C ATOM 0 H ALA A 77 -6.681 3.723 -5.915 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.548 3.490 -5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.186 2.818 -3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.022 2.011 -4.628 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.502 3.390 -3.630 1.00 0.00 H new ATOM 1256 N LYS A 78 -8.070 6.099 -4.506 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.342 7.465 -3.997 1.00 0.00 C ATOM 1258 C LYS A 78 -9.102 8.200 -5.089 1.00 0.00 C ATOM 1259 O LYS A 78 -9.927 9.058 -4.845 1.00 0.00 O ATOM 1260 CB LYS A 78 -7.018 8.178 -3.762 1.00 0.00 C ATOM 1261 CG LYS A 78 -7.104 9.031 -2.495 1.00 0.00 C ATOM 1262 CD LYS A 78 -7.344 10.492 -2.879 1.00 0.00 C ATOM 1263 CE LYS A 78 -6.126 11.331 -2.488 1.00 0.00 C ATOM 1264 NZ LYS A 78 -5.577 12.005 -3.699 1.00 0.00 N ATOM 0 H LYS A 78 -7.084 5.868 -4.628 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.909 7.433 -3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.214 7.448 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.777 8.807 -4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.913 8.674 -1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.182 8.942 -1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.525 10.572 -3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.235 10.869 -2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.407 12.074 -1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.364 10.696 -2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.749 12.575 -3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.294 11.288 -4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.305 12.622 -4.112 1.00 0.00 H new ATOM 1278 N ALA A 79 -8.807 7.842 -6.303 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.462 8.461 -7.471 1.00 0.00 C ATOM 1280 C ALA A 79 -10.884 7.922 -7.576 1.00 0.00 C ATOM 1281 O ALA A 79 -11.784 8.571 -8.069 1.00 0.00 O ATOM 1282 CB ALA A 79 -8.671 8.067 -8.714 1.00 0.00 C ATOM 0 H ALA A 79 -8.119 7.126 -6.535 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.493 9.546 -7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.133 8.511 -9.595 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.646 8.426 -8.622 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.668 6.982 -8.814 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.072 6.723 -7.111 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.404 6.079 -7.160 1.00 0.00 C ATOM 1290 C GLU A 80 -13.370 6.784 -6.203 1.00 0.00 C ATOM 1291 O GLU A 80 -14.537 6.453 -6.131 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.241 4.616 -6.748 1.00 0.00 C ATOM 1293 CG GLU A 80 -11.884 3.788 -7.981 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.111 3.004 -8.447 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -14.208 3.376 -8.064 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -12.934 2.045 -9.180 1.00 0.00 O ATOM 0 H GLU A 80 -10.340 6.151 -6.690 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.813 6.146 -8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.460 4.522 -5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.163 4.246 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.532 4.441 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.069 3.102 -7.747 1.00 0.00 H new ATOM 1303 N GLY A 81 -12.896 7.749 -5.463 1.00 0.00 N ATOM 1304 CA GLY A 81 -13.789 8.464 -4.510 1.00 0.00 C ATOM 1305 C GLY A 81 -13.407 8.071 -3.085 1.00 0.00 C ATOM 1306 O GLY A 81 -13.780 8.718 -2.127 1.00 0.00 O ATOM 0 H GLY A 81 -11.929 8.073 -5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.695 9.542 -4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.830 8.208 -4.705 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.658 7.013 -2.941 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.239 6.568 -1.590 1.00 0.00 C ATOM 1312 C CYS A 82 -11.459 7.691 -0.903 1.00 0.00 C ATOM 1313 O CYS A 82 -10.895 8.551 -1.549 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.348 5.337 -1.734 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.298 3.986 -2.475 1.00 0.00 S ATOM 0 H CYS A 82 -12.318 6.436 -3.710 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.115 6.322 -0.989 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.484 5.571 -2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.967 5.035 -0.759 1.00 0.00 H new ATOM 0 HG CYS A 82 -11.538 2.938 -2.599 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.425 7.694 0.401 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.685 8.766 1.122 1.00 0.00 C ATOM 1323 C ASP A 83 -9.363 8.210 1.658 1.00 0.00 C ATOM 1324 O ASP A 83 -9.146 8.142 2.852 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.535 9.275 2.285 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.981 10.614 2.775 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -10.096 10.595 3.614 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.452 11.636 2.303 1.00 0.00 O ATOM 0 H ASP A 83 -11.877 7.001 0.997 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.477 9.587 0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.571 9.392 1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.531 8.548 3.098 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.475 7.820 0.785 1.00 0.00 N ATOM 1334 CA ILE A 84 -7.165 7.278 1.242 1.00 0.00 C ATOM 1335 C ILE A 84 -6.125 8.404 1.226 1.00 0.00 C ATOM 1336 O ILE A 84 -5.426 8.597 0.252 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.714 6.170 0.295 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.570 4.934 0.517 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.250 5.823 0.561 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -8.129 4.486 -0.826 1.00 0.00 C ATOM 0 H ILE A 84 -8.601 7.854 -0.227 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.267 6.878 2.251 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.823 6.514 -0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.976 4.137 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.381 5.155 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.934 5.031 -0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.632 6.706 0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.138 5.483 1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.747 3.599 -0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.734 5.286 -1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.307 4.252 -1.503 1.00 0.00 H new ATOM 1352 N THR A 85 -6.018 9.151 2.288 1.00 0.00 N ATOM 1353 CA THR A 85 -5.026 10.265 2.325 1.00 0.00 C ATOM 1354 C THR A 85 -3.659 9.759 1.854 1.00 0.00 C ATOM 1355 O THR A 85 -2.860 9.285 2.635 1.00 0.00 O ATOM 1356 CB THR A 85 -4.909 10.792 3.758 1.00 0.00 C ATOM 1357 OG1 THR A 85 -6.078 11.528 4.087 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.683 11.700 3.875 1.00 0.00 C ATOM 0 H THR A 85 -6.575 9.039 3.135 1.00 0.00 H new ATOM 0 HA THR A 85 -5.358 11.066 1.665 1.00 0.00 H new ATOM 0 HB THR A 85 -4.801 9.952 4.445 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.005 11.864 5.005 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.603 12.073 4.896 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.786 11.134 3.624 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.786 12.540 3.188 1.00 0.00 H new ATOM 1366 N ILE A 86 -3.381 9.861 0.583 1.00 0.00 N ATOM 1367 CA ILE A 86 -2.063 9.389 0.067 1.00 0.00 C ATOM 1368 C ILE A 86 -0.959 10.338 0.538 1.00 0.00 C ATOM 1369 O ILE A 86 -0.963 11.512 0.225 1.00 0.00 O ATOM 1370 CB ILE A 86 -2.095 9.368 -1.463 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -3.269 8.508 -1.933 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.787 8.778 -1.994 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.965 7.034 -1.660 1.00 0.00 C ATOM 0 H ILE A 86 -4.008 10.250 -0.121 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.864 8.385 0.443 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.213 10.384 -1.839 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.181 8.804 -1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.443 8.663 -2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.810 8.763 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.051 9.389 -1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.668 7.761 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.802 6.422 -1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.064 6.743 -2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.812 6.886 -0.591 1.00 0.00 H new ATOM 1385 N ILE A 87 -0.012 9.842 1.289 1.00 0.00 N ATOM 1386 CA ILE A 87 1.087 10.724 1.775 1.00 0.00 C ATOM 1387 C ILE A 87 2.437 10.131 1.364 1.00 0.00 C ATOM 1388 O ILE A 87 2.867 9.121 1.883 1.00 0.00 O ATOM 1389 CB ILE A 87 1.012 10.834 3.300 1.00 0.00 C ATOM 1390 CG1 ILE A 87 -0.154 11.748 3.685 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.317 11.421 3.842 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.387 11.669 5.195 1.00 0.00 C ATOM 0 H ILE A 87 0.048 8.868 1.586 1.00 0.00 H new ATOM 0 HA ILE A 87 0.982 11.716 1.336 1.00 0.00 H new ATOM 0 HB ILE A 87 0.859 9.842 3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.064 12.775 3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.056 11.449 3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.258 11.497 4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.149 10.772 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.474 12.412 3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.217 12.320 5.470 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.623 10.642 5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.513 11.989 5.719 1.00 0.00 H new ATOM 1404 N LEU A 88 3.111 10.753 0.435 1.00 0.00 N ATOM 1405 CA LEU A 88 4.433 10.225 -0.007 1.00 0.00 C ATOM 1406 C LEU A 88 5.552 11.057 0.623 1.00 0.00 C ATOM 1407 O LEU A 88 5.713 12.224 0.327 1.00 0.00 O ATOM 1408 CB LEU A 88 4.532 10.310 -1.532 1.00 0.00 C ATOM 1409 CG LEU A 88 4.164 8.958 -2.143 1.00 0.00 C ATOM 1410 CD1 LEU A 88 2.737 9.016 -2.691 1.00 0.00 C ATOM 1411 CD2 LEU A 88 5.134 8.634 -3.282 1.00 0.00 C ATOM 0 H LEU A 88 2.803 11.603 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 88 4.532 9.186 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.864 11.085 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.543 10.591 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 88 4.228 8.184 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.475 8.052 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.045 9.248 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.672 9.789 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.873 7.670 -3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.069 9.408 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.151 8.592 -2.893 1.00 0.00 H new ATOM 1423 N SER A 89 6.327 10.466 1.491 1.00 0.00 N ATOM 1424 CA SER A 89 7.434 11.223 2.139 1.00 0.00 C ATOM 1425 C SER A 89 8.762 10.851 1.477 1.00 0.00 C ATOM 1426 O SER A 89 9.236 11.630 0.666 1.00 0.00 O ATOM 1427 CB SER A 89 7.490 10.871 3.626 1.00 0.00 C ATOM 1428 OG SER A 89 6.598 11.716 4.342 1.00 0.00 O ATOM 1429 OXT SER A 89 9.283 9.794 1.793 1.00 0.00 O ATOM 0 H SER A 89 6.241 9.491 1.779 1.00 0.00 H new ATOM 0 HA SER A 89 7.258 12.293 2.025 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.218 9.826 3.775 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.506 10.993 4.002 1.00 0.00 H new ATOM 0 HG SER A 89 6.630 11.492 5.296 1.00 0.00 H new