USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 555 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 34 HIS : no HD1:sc= -24.2! C(o=-27!,f=-26!) USER MOD Set 1.2: A 37 THR OG1 : rot -130:sc= 0.0231 USER MOD Set 1.3: A 88 SER OG : rot 5:sc= -3.09! USER MOD Single : A 16 SER OG : rot -25:sc= 0.211 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 173:sc= -2.15! USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -160:sc= -2.28! USER MOD Single : A 42 SER OG : rot 180:sc= -0.387 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -139:sc= -0.421 (180deg=-2.7!) USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= -2.71 (180deg=-2.75) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.335 X(o=-0.33,f=-0.67) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= -0.801 (180deg=-0.801) USER MOD Single : A 78 CYS SG : rot -78:sc= -8.82! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -2.907 -2.223 -6.118 1.00 0.00 N ATOM 2 CA SER A 16 -1.714 -3.035 -6.287 1.00 0.00 C ATOM 3 C SER A 16 -0.489 -2.282 -5.765 1.00 0.00 C ATOM 4 O SER A 16 -0.408 -1.061 -5.889 1.00 0.00 O ATOM 5 CB SER A 16 -1.515 -3.422 -7.753 1.00 0.00 C ATOM 6 OG SER A 16 -1.719 -2.317 -8.630 1.00 0.00 O ATOM 0 HA SER A 16 -1.840 -3.952 -5.711 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.507 -3.813 -7.891 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.206 -4.224 -8.013 1.00 0.00 H new ATOM 0 HG SER A 16 -2.310 -1.663 -8.201 1.00 0.00 H new ATOM 12 N GLU A 17 0.433 -3.041 -5.193 1.00 0.00 N ATOM 13 CA GLU A 17 1.651 -2.460 -4.652 1.00 0.00 C ATOM 14 C GLU A 17 2.835 -2.755 -5.575 1.00 0.00 C ATOM 15 O GLU A 17 2.822 -3.739 -6.312 1.00 0.00 O ATOM 16 CB GLU A 17 1.919 -2.971 -3.235 1.00 0.00 C ATOM 17 CG GLU A 17 1.025 -2.261 -2.217 1.00 0.00 C ATOM 18 CD GLU A 17 0.981 -3.030 -0.895 1.00 0.00 C ATOM 19 OE1 GLU A 17 1.783 -2.755 0.009 1.00 0.00 O ATOM 20 OE2 GLU A 17 0.072 -3.943 -0.825 1.00 0.00 O ATOM 0 H GLU A 17 0.362 -4.053 -5.092 1.00 0.00 H new ATOM 0 HA GLU A 17 1.521 -1.379 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.742 -4.046 -3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.966 -2.810 -2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.397 -1.252 -2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.016 -2.164 -2.619 1.00 0.00 H new ATOM 28 N ALA A 18 3.830 -1.883 -5.504 1.00 0.00 N ATOM 29 CA ALA A 18 5.020 -2.037 -6.324 1.00 0.00 C ATOM 30 C ALA A 18 5.570 -3.454 -6.155 1.00 0.00 C ATOM 31 O ALA A 18 5.823 -4.147 -7.139 1.00 0.00 O ATOM 32 CB ALA A 18 6.043 -0.965 -5.946 1.00 0.00 C ATOM 0 H ALA A 18 3.837 -1.067 -4.891 1.00 0.00 H new ATOM 0 HA ALA A 18 4.780 -1.900 -7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.935 -1.081 -6.561 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.613 0.023 -6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.311 -1.072 -4.895 1.00 0.00 H new ATOM 38 N VAL A 19 5.740 -3.843 -4.899 1.00 0.00 N ATOM 39 CA VAL A 19 6.256 -5.165 -4.589 1.00 0.00 C ATOM 40 C VAL A 19 5.380 -6.222 -5.264 1.00 0.00 C ATOM 41 O VAL A 19 5.879 -7.063 -6.010 1.00 0.00 O ATOM 42 CB VAL A 19 6.351 -5.347 -3.072 1.00 0.00 C ATOM 43 CG1 VAL A 19 4.979 -5.183 -2.414 1.00 0.00 C ATOM 44 CG2 VAL A 19 6.970 -6.701 -2.720 1.00 0.00 C ATOM 0 H VAL A 19 5.529 -3.266 -4.085 1.00 0.00 H new ATOM 0 HA VAL A 19 7.266 -5.282 -4.981 1.00 0.00 H new ATOM 0 HB VAL A 19 7.006 -4.568 -2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.074 -5.317 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.592 -4.186 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.292 -5.929 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.026 -6.805 -1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.353 -7.501 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.973 -6.764 -3.143 1.00 0.00 H new ATOM 54 N TYR A 20 4.088 -6.144 -4.979 1.00 0.00 N ATOM 55 CA TYR A 20 3.138 -7.083 -5.550 1.00 0.00 C ATOM 56 C TYR A 20 3.280 -7.150 -7.072 1.00 0.00 C ATOM 57 O TYR A 20 2.991 -8.179 -7.681 1.00 0.00 O ATOM 58 CB TYR A 20 1.750 -6.541 -5.203 1.00 0.00 C ATOM 59 CG TYR A 20 1.172 -7.098 -3.900 1.00 0.00 C ATOM 60 CD1 TYR A 20 2.003 -7.707 -2.982 1.00 0.00 C ATOM 61 CD2 TYR A 20 -0.180 -6.992 -3.644 1.00 0.00 C ATOM 62 CE1 TYR A 20 1.459 -8.232 -1.756 1.00 0.00 C ATOM 63 CE2 TYR A 20 -0.724 -7.517 -2.418 1.00 0.00 C ATOM 64 CZ TYR A 20 0.122 -8.111 -1.535 1.00 0.00 C ATOM 65 OH TYR A 20 -0.391 -8.606 -0.377 1.00 0.00 O ATOM 0 H TYR A 20 3.677 -5.445 -4.360 1.00 0.00 H new ATOM 0 HA TYR A 20 3.306 -8.086 -5.157 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.803 -5.455 -5.130 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.066 -6.772 -6.020 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.061 -7.790 -3.183 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.830 -6.515 -4.363 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.098 -8.711 -1.029 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.780 -7.441 -2.205 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.358 -8.448 -0.354 1.00 0.00 H new ATOM 75 N ILE A 21 3.726 -6.041 -7.642 1.00 0.00 N ATOM 76 CA ILE A 21 3.910 -5.961 -9.081 1.00 0.00 C ATOM 77 C ILE A 21 5.112 -6.817 -9.485 1.00 0.00 C ATOM 78 O ILE A 21 4.999 -7.681 -10.354 1.00 0.00 O ATOM 79 CB ILE A 21 4.017 -4.502 -9.528 1.00 0.00 C ATOM 80 CG1 ILE A 21 2.729 -4.043 -10.215 1.00 0.00 C ATOM 81 CG2 ILE A 21 5.247 -4.287 -10.412 1.00 0.00 C ATOM 82 CD1 ILE A 21 2.503 -4.807 -11.522 1.00 0.00 C ATOM 0 H ILE A 21 3.966 -5.190 -7.133 1.00 0.00 H new ATOM 0 HA ILE A 21 3.040 -6.366 -9.599 1.00 0.00 H new ATOM 0 HB ILE A 21 4.147 -3.882 -8.641 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.881 -4.198 -9.548 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.783 -2.974 -10.419 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.299 -3.241 -10.716 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.146 -4.548 -9.854 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.174 -4.919 -11.297 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.581 -4.462 -11.990 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.341 -4.630 -12.196 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.426 -5.874 -11.311 1.00 0.00 H new ATOM 94 N ALA A 22 6.235 -6.548 -8.836 1.00 0.00 N ATOM 95 CA ALA A 22 7.457 -7.283 -9.117 1.00 0.00 C ATOM 96 C ALA A 22 7.160 -8.784 -9.095 1.00 0.00 C ATOM 97 O ALA A 22 7.556 -9.511 -10.005 1.00 0.00 O ATOM 98 CB ALA A 22 8.535 -6.887 -8.106 1.00 0.00 C ATOM 0 H ALA A 22 6.325 -5.831 -8.116 1.00 0.00 H new ATOM 0 HA ALA A 22 7.834 -7.036 -10.109 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.451 -7.438 -8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.729 -5.817 -8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.193 -7.123 -7.098 1.00 0.00 H new ATOM 104 N ILE A 23 6.466 -9.202 -8.047 1.00 0.00 N ATOM 105 CA ILE A 23 6.112 -10.603 -7.895 1.00 0.00 C ATOM 106 C ILE A 23 5.116 -10.995 -8.989 1.00 0.00 C ATOM 107 O ILE A 23 5.143 -12.120 -9.485 1.00 0.00 O ATOM 108 CB ILE A 23 5.608 -10.878 -6.477 1.00 0.00 C ATOM 109 CG1 ILE A 23 4.099 -10.646 -6.377 1.00 0.00 C ATOM 110 CG2 ILE A 23 6.384 -10.051 -5.450 1.00 0.00 C ATOM 111 CD1 ILE A 23 3.500 -11.429 -5.208 1.00 0.00 C ATOM 0 H ILE A 23 6.139 -8.595 -7.295 1.00 0.00 H new ATOM 0 HA ILE A 23 6.992 -11.234 -8.023 1.00 0.00 H new ATOM 0 HB ILE A 23 5.788 -11.928 -6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.899 -9.582 -6.247 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.618 -10.950 -7.307 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.006 -10.265 -4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.442 -10.308 -5.501 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.257 -8.990 -5.666 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.427 -11.246 -5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.681 -12.494 -5.353 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.965 -11.106 -4.277 1.00 0.00 H new ATOM 123 N GLU A 24 4.260 -10.044 -9.333 1.00 0.00 N ATOM 124 CA GLU A 24 3.257 -10.275 -10.358 1.00 0.00 C ATOM 125 C GLU A 24 3.917 -10.359 -11.736 1.00 0.00 C ATOM 126 O GLU A 24 3.316 -10.859 -12.686 1.00 0.00 O ATOM 127 CB GLU A 24 2.183 -9.185 -10.331 1.00 0.00 C ATOM 128 CG GLU A 24 1.151 -9.461 -9.236 1.00 0.00 C ATOM 129 CD GLU A 24 0.342 -8.202 -8.916 1.00 0.00 C ATOM 130 OE1 GLU A 24 0.921 -7.119 -8.748 1.00 0.00 O ATOM 131 OE2 GLU A 24 -0.934 -8.377 -8.844 1.00 0.00 O ATOM 0 H GLU A 24 4.241 -9.112 -8.920 1.00 0.00 H new ATOM 0 HA GLU A 24 2.767 -11.227 -10.151 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.649 -8.214 -10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.686 -9.135 -11.300 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.480 -10.258 -9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.655 -9.812 -8.336 1.00 0.00 H new ATOM 139 N ALA A 25 5.144 -9.863 -11.801 1.00 0.00 N ATOM 140 CA ALA A 25 5.891 -9.877 -13.047 1.00 0.00 C ATOM 141 C ALA A 25 6.175 -11.325 -13.451 1.00 0.00 C ATOM 142 O ALA A 25 6.328 -11.625 -14.634 1.00 0.00 O ATOM 143 CB ALA A 25 7.172 -9.056 -12.883 1.00 0.00 C ATOM 0 H ALA A 25 5.639 -9.449 -11.011 1.00 0.00 H new ATOM 0 HA ALA A 25 5.310 -9.420 -13.848 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.733 -9.066 -13.818 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.915 -8.029 -12.625 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.782 -9.488 -12.089 1.00 0.00 H new ATOM 149 N GLY A 26 6.236 -12.185 -12.445 1.00 0.00 N ATOM 150 CA GLY A 26 6.498 -13.595 -12.681 1.00 0.00 C ATOM 151 C GLY A 26 7.583 -14.116 -11.736 1.00 0.00 C ATOM 152 O GLY A 26 8.374 -14.981 -12.110 1.00 0.00 O ATOM 0 H GLY A 26 6.109 -11.933 -11.465 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.581 -14.168 -12.539 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.810 -13.743 -13.715 1.00 0.00 H new ATOM 156 N THR A 27 7.585 -13.569 -10.529 1.00 0.00 N ATOM 157 CA THR A 27 8.559 -13.968 -9.528 1.00 0.00 C ATOM 158 C THR A 27 7.956 -15.008 -8.582 1.00 0.00 C ATOM 159 O THR A 27 8.674 -15.841 -8.031 1.00 0.00 O ATOM 160 CB THR A 27 9.046 -12.706 -8.813 1.00 0.00 C ATOM 161 OG1 THR A 27 10.431 -12.633 -9.142 1.00 0.00 O ATOM 162 CG2 THR A 27 9.032 -12.853 -7.290 1.00 0.00 C ATOM 0 H THR A 27 6.927 -12.853 -10.222 1.00 0.00 H new ATOM 0 HA THR A 27 9.421 -14.453 -9.986 1.00 0.00 H new ATOM 0 HB THR A 27 8.420 -11.861 -9.102 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.802 -11.788 -8.811 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.387 -11.930 -6.832 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.016 -13.058 -6.954 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.684 -13.676 -6.998 1.00 0.00 H new ATOM 170 N LEU A 28 6.643 -14.925 -8.422 1.00 0.00 N ATOM 171 CA LEU A 28 5.936 -15.849 -7.552 1.00 0.00 C ATOM 172 C LEU A 28 4.877 -16.598 -8.364 1.00 0.00 C ATOM 173 O LEU A 28 4.600 -16.242 -9.509 1.00 0.00 O ATOM 174 CB LEU A 28 5.371 -15.113 -6.336 1.00 0.00 C ATOM 175 CG LEU A 28 6.401 -14.535 -5.363 1.00 0.00 C ATOM 176 CD1 LEU A 28 5.758 -14.208 -4.014 1.00 0.00 C ATOM 177 CD2 LEU A 28 7.601 -15.472 -5.215 1.00 0.00 C ATOM 0 H LEU A 28 6.051 -14.232 -8.880 1.00 0.00 H new ATOM 0 HA LEU A 28 6.621 -16.597 -7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.739 -14.299 -6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.728 -15.800 -5.787 1.00 0.00 H new ATOM 0 HG LEU A 28 6.774 -13.598 -5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.512 -13.799 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.964 -13.475 -4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.340 -15.116 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.318 -15.038 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.265 -16.437 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.077 -15.610 -6.186 1.00 0.00 H new ATOM 189 N ALA A 29 4.313 -17.622 -7.740 1.00 0.00 N ATOM 190 CA ALA A 29 3.291 -18.424 -8.390 1.00 0.00 C ATOM 191 C ALA A 29 2.300 -18.928 -7.340 1.00 0.00 C ATOM 192 O ALA A 29 2.700 -19.356 -6.258 1.00 0.00 O ATOM 193 CB ALA A 29 3.953 -19.567 -9.163 1.00 0.00 C ATOM 0 H ALA A 29 4.545 -17.915 -6.791 1.00 0.00 H new ATOM 0 HA ALA A 29 2.733 -17.824 -9.109 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.186 -20.169 -9.651 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.625 -19.156 -9.916 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.520 -20.192 -8.473 1.00 0.00 H new ATOM 199 N GLU A 30 1.025 -18.861 -7.695 1.00 0.00 N ATOM 200 CA GLU A 30 -0.027 -19.305 -6.796 1.00 0.00 C ATOM 201 C GLU A 30 -1.219 -19.836 -7.595 1.00 0.00 C ATOM 202 O GLU A 30 -1.542 -19.308 -8.658 1.00 0.00 O ATOM 203 CB GLU A 30 -0.456 -18.178 -5.855 1.00 0.00 C ATOM 204 CG GLU A 30 -0.763 -16.899 -6.635 1.00 0.00 C ATOM 205 CD GLU A 30 -2.272 -16.660 -6.725 1.00 0.00 C ATOM 206 OE1 GLU A 30 -2.788 -16.358 -7.812 1.00 0.00 O ATOM 207 OE2 GLU A 30 -2.913 -16.800 -5.615 1.00 0.00 O ATOM 0 H GLU A 30 0.697 -18.506 -8.593 1.00 0.00 H new ATOM 0 HA GLU A 30 0.365 -20.116 -6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.337 -18.485 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.334 -17.985 -5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.285 -16.049 -6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.342 -16.971 -7.638 1.00 0.00 H new ATOM 215 N CYS A 31 -1.840 -20.873 -7.053 1.00 0.00 N ATOM 216 CA CYS A 31 -2.989 -21.481 -7.702 1.00 0.00 C ATOM 217 C CYS A 31 -4.056 -20.402 -7.898 1.00 0.00 C ATOM 218 O CYS A 31 -4.339 -19.631 -6.983 1.00 0.00 O ATOM 219 CB CYS A 31 -3.522 -22.674 -6.906 1.00 0.00 C ATOM 220 SG CYS A 31 -3.781 -24.103 -8.020 1.00 0.00 S ATOM 0 H CYS A 31 -1.569 -21.308 -6.171 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.694 -21.879 -8.673 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.818 -22.940 -6.118 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.460 -22.407 -6.419 1.00 0.00 H new ATOM 225 N GLU A 32 -4.619 -20.383 -9.097 1.00 0.00 N ATOM 226 CA GLU A 32 -5.649 -19.411 -9.425 1.00 0.00 C ATOM 227 C GLU A 32 -7.035 -19.988 -9.131 1.00 0.00 C ATOM 228 O GLU A 32 -8.045 -19.309 -9.311 1.00 0.00 O ATOM 229 CB GLU A 32 -5.538 -18.966 -10.884 1.00 0.00 C ATOM 230 CG GLU A 32 -6.397 -17.728 -11.147 1.00 0.00 C ATOM 231 CD GLU A 32 -6.179 -16.670 -10.063 1.00 0.00 C ATOM 232 OE1 GLU A 32 -5.032 -16.276 -9.802 1.00 0.00 O ATOM 233 OE2 GLU A 32 -7.253 -16.254 -9.483 1.00 0.00 O ATOM 0 H GLU A 32 -4.382 -21.025 -9.853 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.503 -18.530 -8.799 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.497 -18.748 -11.123 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.853 -19.777 -11.540 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.150 -17.310 -12.123 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.449 -18.011 -11.178 1.00 0.00 H new ATOM 241 N VAL A 33 -7.039 -21.235 -8.684 1.00 0.00 N ATOM 242 CA VAL A 33 -8.285 -21.911 -8.363 1.00 0.00 C ATOM 243 C VAL A 33 -8.410 -22.047 -6.844 1.00 0.00 C ATOM 244 O VAL A 33 -9.458 -22.445 -6.337 1.00 0.00 O ATOM 245 CB VAL A 33 -8.354 -23.255 -9.091 1.00 0.00 C ATOM 246 CG1 VAL A 33 -6.986 -23.643 -9.655 1.00 0.00 C ATOM 247 CG2 VAL A 33 -8.899 -24.349 -8.172 1.00 0.00 C ATOM 0 H VAL A 33 -6.199 -21.795 -8.536 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.137 -21.325 -8.708 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.043 -23.148 -9.928 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.062 -24.602 -10.167 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.653 -22.881 -10.359 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.266 -23.723 -8.840 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.938 -25.294 -8.714 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.247 -24.454 -7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.902 -24.080 -7.841 1.00 0.00 H new ATOM 257 N HIS A 34 -7.327 -21.709 -6.161 1.00 0.00 N ATOM 258 CA HIS A 34 -7.302 -21.789 -4.710 1.00 0.00 C ATOM 259 C HIS A 34 -6.902 -20.432 -4.128 1.00 0.00 C ATOM 260 O HIS A 34 -5.719 -20.099 -4.076 1.00 0.00 O ATOM 261 CB HIS A 34 -6.391 -22.926 -4.244 1.00 0.00 C ATOM 262 CG HIS A 34 -6.375 -24.119 -5.169 1.00 0.00 C ATOM 263 ND1 HIS A 34 -6.189 -24.006 -6.535 1.00 0.00 N ATOM 264 CD2 HIS A 34 -6.523 -25.450 -4.909 1.00 0.00 C ATOM 265 CE1 HIS A 34 -6.226 -25.220 -7.065 1.00 0.00 C ATOM 266 NE2 HIS A 34 -6.434 -26.114 -6.055 1.00 0.00 N ATOM 0 H HIS A 34 -6.460 -21.379 -6.585 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.299 -22.025 -4.338 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.375 -22.545 -4.142 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.711 -23.251 -3.254 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.685 -25.889 -3.936 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.112 -25.460 -8.112 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.509 -27.126 -6.163 1.00 0.00 H new ATOM 274 N GLU A 35 -7.911 -19.684 -3.705 1.00 0.00 N ATOM 275 CA GLU A 35 -7.680 -18.371 -3.129 1.00 0.00 C ATOM 276 C GLU A 35 -7.053 -18.504 -1.740 1.00 0.00 C ATOM 277 O GLU A 35 -7.638 -19.114 -0.847 1.00 0.00 O ATOM 278 CB GLU A 35 -8.977 -17.561 -3.071 1.00 0.00 C ATOM 279 CG GLU A 35 -10.106 -18.381 -2.444 1.00 0.00 C ATOM 280 CD GLU A 35 -11.050 -18.925 -3.518 1.00 0.00 C ATOM 281 OE1 GLU A 35 -11.548 -20.054 -3.392 1.00 0.00 O ATOM 282 OE2 GLU A 35 -11.262 -18.130 -4.511 1.00 0.00 O ATOM 0 H GLU A 35 -8.891 -19.963 -3.750 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.983 -17.832 -3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.817 -16.652 -2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.262 -17.251 -4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.685 -19.208 -1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.665 -17.761 -1.744 1.00 0.00 H new ATOM 290 N GLY A 36 -5.871 -17.922 -1.601 1.00 0.00 N ATOM 291 CA GLY A 36 -5.158 -17.967 -0.335 1.00 0.00 C ATOM 292 C GLY A 36 -3.920 -18.860 -0.435 1.00 0.00 C ATOM 293 O GLY A 36 -2.952 -18.670 0.300 1.00 0.00 O ATOM 0 H GLY A 36 -5.389 -17.417 -2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.861 -16.959 -0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.819 -18.342 0.446 1.00 0.00 H new ATOM 297 N THR A 37 -3.991 -19.816 -1.350 1.00 0.00 N ATOM 298 CA THR A 37 -2.887 -20.738 -1.555 1.00 0.00 C ATOM 299 C THR A 37 -1.888 -20.160 -2.559 1.00 0.00 C ATOM 300 O THR A 37 -2.265 -19.777 -3.665 1.00 0.00 O ATOM 301 CB THR A 37 -3.471 -22.085 -1.987 1.00 0.00 C ATOM 302 OG1 THR A 37 -4.826 -22.033 -1.549 1.00 0.00 O ATOM 303 CG2 THR A 37 -2.874 -23.259 -1.209 1.00 0.00 C ATOM 0 H THR A 37 -4.796 -19.972 -1.957 1.00 0.00 H new ATOM 0 HA THR A 37 -2.323 -20.891 -0.635 1.00 0.00 H new ATOM 0 HB THR A 37 -3.297 -22.230 -3.053 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.039 -22.848 -1.048 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.323 -24.190 -1.555 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.797 -23.293 -1.372 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.077 -23.131 -0.146 1.00 0.00 H new ATOM 311 N TYR A 38 -0.633 -20.115 -2.136 1.00 0.00 N ATOM 312 CA TYR A 38 0.424 -19.589 -2.984 1.00 0.00 C ATOM 313 C TYR A 38 1.707 -20.408 -2.832 1.00 0.00 C ATOM 314 O TYR A 38 1.761 -21.342 -2.033 1.00 0.00 O ATOM 315 CB TYR A 38 0.683 -18.162 -2.499 1.00 0.00 C ATOM 316 CG TYR A 38 -0.428 -17.172 -2.855 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.645 -17.237 -2.207 1.00 0.00 C ATOM 318 CD2 TYR A 38 -0.213 -16.213 -3.825 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.690 -16.305 -2.543 1.00 0.00 C ATOM 320 CE2 TYR A 38 -1.258 -15.282 -4.160 1.00 0.00 C ATOM 321 CZ TYR A 38 -2.445 -15.374 -3.503 1.00 0.00 C ATOM 322 OH TYR A 38 -3.433 -14.494 -3.820 1.00 0.00 O ATOM 0 H TYR A 38 -0.324 -20.434 -1.218 1.00 0.00 H new ATOM 0 HA TYR A 38 0.129 -19.627 -4.033 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.811 -18.175 -1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.621 -17.809 -2.927 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.813 -17.987 -1.448 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.739 -16.162 -4.332 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.647 -16.345 -2.044 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.103 -14.527 -4.916 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.117 -13.886 -4.521 1.00 0.00 H new ATOM 332 N PHE A 39 2.709 -20.028 -3.611 1.00 0.00 N ATOM 333 CA PHE A 39 3.989 -20.716 -3.573 1.00 0.00 C ATOM 334 C PHE A 39 5.031 -19.981 -4.418 1.00 0.00 C ATOM 335 O PHE A 39 4.842 -19.796 -5.620 1.00 0.00 O ATOM 336 CB PHE A 39 3.765 -22.111 -4.159 1.00 0.00 C ATOM 337 CG PHE A 39 3.510 -22.119 -5.668 1.00 0.00 C ATOM 338 CD1 PHE A 39 2.268 -21.846 -6.149 1.00 0.00 C ATOM 339 CD2 PHE A 39 4.527 -22.398 -6.527 1.00 0.00 C ATOM 340 CE1 PHE A 39 2.032 -21.853 -7.549 1.00 0.00 C ATOM 341 CE2 PHE A 39 4.291 -22.406 -7.927 1.00 0.00 C ATOM 342 CZ PHE A 39 3.048 -22.133 -8.409 1.00 0.00 C ATOM 0 H PHE A 39 2.661 -19.253 -4.272 1.00 0.00 H new ATOM 0 HA PHE A 39 4.358 -20.760 -2.548 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.638 -22.728 -3.945 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.916 -22.574 -3.655 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.461 -21.624 -5.466 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.514 -22.613 -6.144 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.046 -21.636 -7.931 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.098 -22.629 -8.609 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.868 -22.139 -9.474 1.00 0.00 H new ATOM 352 N SER A 40 6.108 -19.583 -3.758 1.00 0.00 N ATOM 353 CA SER A 40 7.181 -18.873 -4.434 1.00 0.00 C ATOM 354 C SER A 40 8.211 -19.870 -4.971 1.00 0.00 C ATOM 355 O SER A 40 8.465 -20.900 -4.349 1.00 0.00 O ATOM 356 CB SER A 40 7.853 -17.869 -3.496 1.00 0.00 C ATOM 357 OG SER A 40 6.934 -16.895 -3.010 1.00 0.00 O ATOM 0 H SER A 40 6.261 -19.739 -2.762 1.00 0.00 H new ATOM 0 HA SER A 40 6.752 -18.318 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.297 -18.400 -2.654 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.666 -17.369 -4.022 1.00 0.00 H new ATOM 0 HG SER A 40 7.427 -16.111 -2.689 1.00 0.00 H new ATOM 363 N ASP A 41 8.776 -19.527 -6.119 1.00 0.00 N ATOM 364 CA ASP A 41 9.772 -20.378 -6.747 1.00 0.00 C ATOM 365 C ASP A 41 10.690 -20.961 -5.670 1.00 0.00 C ATOM 366 O ASP A 41 11.621 -20.297 -5.217 1.00 0.00 O ATOM 367 CB ASP A 41 10.638 -19.583 -7.726 1.00 0.00 C ATOM 368 CG ASP A 41 10.888 -20.269 -9.071 1.00 0.00 C ATOM 369 OD1 ASP A 41 11.971 -20.822 -9.314 1.00 0.00 O ATOM 370 OD2 ASP A 41 9.902 -20.219 -9.900 1.00 0.00 O ATOM 0 H ASP A 41 8.563 -18.671 -6.631 1.00 0.00 H new ATOM 0 HA ASP A 41 9.249 -21.167 -7.287 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.162 -18.620 -7.909 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.599 -19.379 -7.255 1.00 0.00 H new ATOM 376 N SER A 42 10.395 -22.195 -5.291 1.00 0.00 N ATOM 377 CA SER A 42 11.182 -22.875 -4.276 1.00 0.00 C ATOM 378 C SER A 42 12.563 -23.226 -4.833 1.00 0.00 C ATOM 379 O SER A 42 12.682 -23.662 -5.976 1.00 0.00 O ATOM 380 CB SER A 42 10.472 -24.137 -3.782 1.00 0.00 C ATOM 381 OG SER A 42 9.061 -24.062 -3.965 1.00 0.00 O ATOM 0 H SER A 42 9.622 -22.742 -5.668 1.00 0.00 H new ATOM 0 HA SER A 42 11.300 -22.202 -3.427 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.861 -25.004 -4.315 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.693 -24.287 -2.725 1.00 0.00 H new ATOM 0 HG SER A 42 8.645 -24.887 -3.639 1.00 0.00 H new ATOM 387 N GLY A 43 13.571 -23.022 -3.998 1.00 0.00 N ATOM 388 CA GLY A 43 14.940 -23.312 -4.392 1.00 0.00 C ATOM 389 C GLY A 43 15.737 -22.022 -4.593 1.00 0.00 C ATOM 390 O GLY A 43 16.954 -22.006 -4.415 1.00 0.00 O ATOM 0 H GLY A 43 13.468 -22.659 -3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.420 -23.925 -3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.942 -23.892 -5.315 1.00 0.00 H new ATOM 394 N ASP A 44 15.019 -20.971 -4.962 1.00 0.00 N ATOM 395 CA ASP A 44 15.644 -19.680 -5.189 1.00 0.00 C ATOM 396 C ASP A 44 14.682 -18.570 -4.762 1.00 0.00 C ATOM 397 O ASP A 44 13.962 -18.014 -5.590 1.00 0.00 O ATOM 398 CB ASP A 44 15.970 -19.478 -6.670 1.00 0.00 C ATOM 399 CG ASP A 44 17.270 -18.721 -6.949 1.00 0.00 C ATOM 400 OD1 ASP A 44 17.872 -18.860 -8.024 1.00 0.00 O ATOM 401 OD2 ASP A 44 17.668 -17.951 -5.994 1.00 0.00 O ATOM 0 H ASP A 44 14.010 -20.988 -5.109 1.00 0.00 H new ATOM 0 HA ASP A 44 16.566 -19.646 -4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 44 16.026 -20.455 -7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.146 -18.939 -7.138 1.00 0.00 H new ATOM 407 N ILE A 45 14.700 -18.280 -3.469 1.00 0.00 N ATOM 408 CA ILE A 45 13.838 -17.246 -2.922 1.00 0.00 C ATOM 409 C ILE A 45 14.338 -15.875 -3.380 1.00 0.00 C ATOM 410 O ILE A 45 13.552 -14.941 -3.531 1.00 0.00 O ATOM 411 CB ILE A 45 13.732 -17.385 -1.402 1.00 0.00 C ATOM 412 CG1 ILE A 45 12.697 -18.445 -1.019 1.00 0.00 C ATOM 413 CG2 ILE A 45 13.438 -16.034 -0.747 1.00 0.00 C ATOM 414 CD1 ILE A 45 11.293 -17.840 -0.949 1.00 0.00 C ATOM 0 H ILE A 45 15.298 -18.743 -2.785 1.00 0.00 H new ATOM 0 HA ILE A 45 12.822 -17.358 -3.301 1.00 0.00 H new ATOM 0 HB ILE A 45 14.696 -17.724 -1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.712 -19.254 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 45 12.958 -18.881 -0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.368 -16.161 0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.242 -15.335 -0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.495 -15.642 -1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.576 -18.614 -0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.275 -17.048 -0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.026 -17.426 -1.922 1.00 0.00 H new ATOM 426 N SER A 46 15.644 -15.797 -3.589 1.00 0.00 N ATOM 427 CA SER A 46 16.259 -14.555 -4.027 1.00 0.00 C ATOM 428 C SER A 46 15.899 -14.280 -5.488 1.00 0.00 C ATOM 429 O SER A 46 15.889 -13.129 -5.923 1.00 0.00 O ATOM 430 CB SER A 46 17.779 -14.603 -3.855 1.00 0.00 C ATOM 431 OG SER A 46 18.184 -14.161 -2.562 1.00 0.00 O ATOM 0 H SER A 46 16.293 -16.573 -3.463 1.00 0.00 H new ATOM 0 HA SER A 46 15.875 -13.745 -3.406 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.130 -15.622 -4.016 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.250 -13.980 -4.615 1.00 0.00 H new ATOM 0 HG SER A 46 19.160 -14.208 -2.491 1.00 0.00 H new ATOM 437 N GLU A 47 15.611 -15.355 -6.206 1.00 0.00 N ATOM 438 CA GLU A 47 15.251 -15.244 -7.610 1.00 0.00 C ATOM 439 C GLU A 47 14.015 -14.356 -7.772 1.00 0.00 C ATOM 440 O GLU A 47 13.832 -13.725 -8.811 1.00 0.00 O ATOM 441 CB GLU A 47 15.019 -16.624 -8.228 1.00 0.00 C ATOM 442 CG GLU A 47 14.493 -16.503 -9.659 1.00 0.00 C ATOM 443 CD GLU A 47 14.761 -17.783 -10.452 1.00 0.00 C ATOM 444 OE1 GLU A 47 14.405 -17.864 -11.637 1.00 0.00 O ATOM 445 OE2 GLU A 47 15.362 -18.716 -9.795 1.00 0.00 O ATOM 0 H GLU A 47 15.619 -16.308 -5.842 1.00 0.00 H new ATOM 0 HA GLU A 47 16.081 -14.779 -8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.951 -17.189 -8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.307 -17.183 -7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.422 -16.300 -9.641 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.969 -15.657 -10.155 1.00 0.00 H new ATOM 453 N ALA A 48 13.199 -14.337 -6.728 1.00 0.00 N ATOM 454 CA ALA A 48 11.986 -13.537 -6.741 1.00 0.00 C ATOM 455 C ALA A 48 12.357 -12.058 -6.866 1.00 0.00 C ATOM 456 O ALA A 48 11.816 -11.348 -7.713 1.00 0.00 O ATOM 457 CB ALA A 48 11.168 -13.829 -5.482 1.00 0.00 C ATOM 0 H ALA A 48 13.354 -14.863 -5.868 1.00 0.00 H new ATOM 0 HA ALA A 48 11.366 -13.795 -7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.258 -13.229 -5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.905 -14.886 -5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.757 -13.580 -4.599 1.00 0.00 H new ATOM 463 N GLU A 49 13.277 -11.637 -6.010 1.00 0.00 N ATOM 464 CA GLU A 49 13.726 -10.255 -6.014 1.00 0.00 C ATOM 465 C GLU A 49 14.536 -9.964 -7.279 1.00 0.00 C ATOM 466 O GLU A 49 14.546 -8.835 -7.768 1.00 0.00 O ATOM 467 CB GLU A 49 14.539 -9.940 -4.758 1.00 0.00 C ATOM 468 CG GLU A 49 15.815 -10.783 -4.704 1.00 0.00 C ATOM 469 CD GLU A 49 16.904 -10.078 -3.893 1.00 0.00 C ATOM 470 OE1 GLU A 49 18.034 -9.919 -4.378 1.00 0.00 O ATOM 471 OE2 GLU A 49 16.543 -9.688 -2.717 1.00 0.00 O ATOM 0 H GLU A 49 13.723 -12.229 -5.309 1.00 0.00 H new ATOM 0 HA GLU A 49 12.849 -9.608 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.798 -8.881 -4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.934 -10.132 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 49 15.595 -11.753 -4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 49 16.174 -10.971 -5.716 1.00 0.00 H new ATOM 479 N GLU A 50 15.196 -11.001 -7.773 1.00 0.00 N ATOM 480 CA GLU A 50 16.007 -10.871 -8.972 1.00 0.00 C ATOM 481 C GLU A 50 15.133 -10.471 -10.162 1.00 0.00 C ATOM 482 O GLU A 50 15.427 -9.496 -10.852 1.00 0.00 O ATOM 483 CB GLU A 50 16.769 -12.166 -9.261 1.00 0.00 C ATOM 484 CG GLU A 50 17.613 -12.032 -10.530 1.00 0.00 C ATOM 485 CD GLU A 50 18.622 -13.177 -10.641 1.00 0.00 C ATOM 486 OE1 GLU A 50 18.789 -13.754 -11.725 1.00 0.00 O ATOM 487 OE2 GLU A 50 19.245 -13.462 -9.547 1.00 0.00 O ATOM 0 H GLU A 50 15.186 -11.936 -7.365 1.00 0.00 H new ATOM 0 HA GLU A 50 16.743 -10.085 -8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.412 -12.410 -8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 50 16.064 -12.990 -9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 50 16.963 -12.029 -11.405 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.140 -11.078 -10.522 1.00 0.00 H new ATOM 495 N LEU A 51 14.076 -11.243 -10.367 1.00 0.00 N ATOM 496 CA LEU A 51 13.158 -10.981 -11.462 1.00 0.00 C ATOM 497 C LEU A 51 12.359 -9.713 -11.159 1.00 0.00 C ATOM 498 O LEU A 51 11.907 -9.026 -12.075 1.00 0.00 O ATOM 499 CB LEU A 51 12.285 -12.208 -11.734 1.00 0.00 C ATOM 500 CG LEU A 51 13.002 -13.560 -11.710 1.00 0.00 C ATOM 501 CD1 LEU A 51 12.062 -14.670 -11.236 1.00 0.00 C ATOM 502 CD2 LEU A 51 13.621 -13.877 -13.073 1.00 0.00 C ATOM 0 H LEU A 51 13.835 -12.051 -9.793 1.00 0.00 H new ATOM 0 HA LEU A 51 13.708 -10.799 -12.385 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.484 -12.231 -10.995 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.815 -12.086 -12.710 1.00 0.00 H new ATOM 0 HG LEU A 51 13.819 -13.500 -10.991 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.596 -15.620 -11.228 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.710 -14.443 -10.230 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.210 -14.738 -11.912 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.124 -14.843 -13.028 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.837 -13.911 -13.830 1.00 0.00 H new ATOM 0 HD23 LEU A 51 14.343 -13.103 -13.333 1.00 0.00 H new ATOM 514 N ALA A 52 12.209 -9.439 -9.872 1.00 0.00 N ATOM 515 CA ALA A 52 11.472 -8.265 -9.437 1.00 0.00 C ATOM 516 C ALA A 52 12.229 -7.006 -9.865 1.00 0.00 C ATOM 517 O ALA A 52 11.680 -6.154 -10.563 1.00 0.00 O ATOM 518 CB ALA A 52 11.255 -8.329 -7.924 1.00 0.00 C ATOM 0 H ALA A 52 12.586 -10.010 -9.116 1.00 0.00 H new ATOM 0 HA ALA A 52 10.488 -8.234 -9.906 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.702 -7.448 -7.598 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.688 -9.226 -7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.220 -8.359 -7.419 1.00 0.00 H new ATOM 524 N ARG A 53 13.477 -6.927 -9.428 1.00 0.00 N ATOM 525 CA ARG A 53 14.315 -5.787 -9.757 1.00 0.00 C ATOM 526 C ARG A 53 14.491 -5.677 -11.273 1.00 0.00 C ATOM 527 O ARG A 53 14.470 -4.579 -11.826 1.00 0.00 O ATOM 528 CB ARG A 53 15.691 -5.905 -9.098 1.00 0.00 C ATOM 529 CG ARG A 53 16.700 -6.551 -10.049 1.00 0.00 C ATOM 530 CD ARG A 53 18.042 -6.782 -9.350 1.00 0.00 C ATOM 531 NE ARG A 53 18.943 -7.561 -10.228 1.00 0.00 N ATOM 532 CZ ARG A 53 20.178 -7.949 -9.883 1.00 0.00 C ATOM 533 NH1 ARG A 53 20.667 -7.632 -8.676 1.00 0.00 N ATOM 534 NH2 ARG A 53 20.925 -8.653 -10.744 1.00 0.00 N ATOM 0 H ARG A 53 13.928 -7.635 -8.848 1.00 0.00 H new ATOM 0 HA ARG A 53 13.820 -4.892 -9.379 1.00 0.00 H new ATOM 0 HB2 ARG A 53 16.044 -4.916 -8.805 1.00 0.00 H new ATOM 0 HB3 ARG A 53 15.612 -6.499 -8.187 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.307 -7.501 -10.412 1.00 0.00 H new ATOM 0 HG3 ARG A 53 16.845 -5.912 -10.920 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.501 -5.825 -9.101 1.00 0.00 H new ATOM 0 HD3 ARG A 53 17.886 -7.314 -8.412 1.00 0.00 H new ATOM 0 HE ARG A 53 18.602 -7.819 -11.154 1.00 0.00 H new ATOM 0 HH11 ARG A 53 20.099 -7.096 -8.020 1.00 0.00 H new ATOM 0 HH12 ARG A 53 21.607 -7.927 -8.413 1.00 0.00 H new ATOM 0 HH21 ARG A 53 20.554 -8.894 -11.663 1.00 0.00 H new ATOM 0 HH22 ARG A 53 21.865 -8.948 -10.481 1.00 0.00 H new ATOM 548 N GLU A 54 14.662 -6.831 -11.902 1.00 0.00 N ATOM 549 CA GLU A 54 14.841 -6.878 -13.343 1.00 0.00 C ATOM 550 C GLU A 54 13.600 -6.332 -14.051 1.00 0.00 C ATOM 551 O GLU A 54 13.697 -5.412 -14.861 1.00 0.00 O ATOM 552 CB GLU A 54 15.158 -8.300 -13.809 1.00 0.00 C ATOM 553 CG GLU A 54 15.946 -8.285 -15.121 1.00 0.00 C ATOM 554 CD GLU A 54 15.948 -9.667 -15.776 1.00 0.00 C ATOM 555 OE1 GLU A 54 16.685 -10.561 -15.335 1.00 0.00 O ATOM 556 OE2 GLU A 54 15.146 -9.797 -16.778 1.00 0.00 O ATOM 0 H GLU A 54 14.680 -7.740 -11.440 1.00 0.00 H new ATOM 0 HA GLU A 54 15.690 -6.247 -13.605 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.733 -8.818 -13.041 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.231 -8.857 -13.944 1.00 0.00 H new ATOM 0 HG2 GLU A 54 15.509 -7.556 -15.803 1.00 0.00 H new ATOM 0 HG3 GLU A 54 16.971 -7.968 -14.930 1.00 0.00 H new ATOM 564 N LYS A 55 12.461 -6.923 -13.719 1.00 0.00 N ATOM 565 CA LYS A 55 11.202 -6.507 -14.313 1.00 0.00 C ATOM 566 C LYS A 55 11.002 -5.009 -14.079 1.00 0.00 C ATOM 567 O LYS A 55 10.766 -4.255 -15.022 1.00 0.00 O ATOM 568 CB LYS A 55 10.052 -7.370 -13.790 1.00 0.00 C ATOM 569 CG LYS A 55 10.102 -8.775 -14.394 1.00 0.00 C ATOM 570 CD LYS A 55 10.124 -8.715 -15.922 1.00 0.00 C ATOM 571 CE LYS A 55 9.124 -7.681 -16.445 1.00 0.00 C ATOM 572 NZ LYS A 55 7.739 -8.093 -16.127 1.00 0.00 N ATOM 0 H LYS A 55 12.384 -7.686 -13.047 1.00 0.00 H new ATOM 0 HA LYS A 55 11.221 -6.661 -15.392 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.107 -7.435 -12.703 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.100 -6.899 -14.033 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.988 -9.298 -14.034 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.237 -9.348 -14.062 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.127 -8.462 -16.265 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.885 -9.697 -16.331 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.332 -6.708 -16.000 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.238 -7.569 -17.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.122 -7.895 -16.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.719 -9.111 -15.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.400 -7.562 -15.299 1.00 0.00 H new ATOM 586 N PHE A 56 11.105 -4.621 -12.816 1.00 0.00 N ATOM 587 CA PHE A 56 10.938 -3.226 -12.446 1.00 0.00 C ATOM 588 C PHE A 56 12.032 -2.358 -13.072 1.00 0.00 C ATOM 589 O PHE A 56 11.810 -1.182 -13.356 1.00 0.00 O ATOM 590 CB PHE A 56 11.054 -3.151 -10.922 1.00 0.00 C ATOM 591 CG PHE A 56 9.718 -2.943 -10.205 1.00 0.00 C ATOM 592 CD1 PHE A 56 8.778 -2.121 -10.745 1.00 0.00 C ATOM 593 CD2 PHE A 56 9.471 -3.579 -9.029 1.00 0.00 C ATOM 594 CE1 PHE A 56 7.539 -1.928 -10.080 1.00 0.00 C ATOM 595 CE2 PHE A 56 8.231 -3.386 -8.365 1.00 0.00 C ATOM 596 CZ PHE A 56 7.291 -2.565 -8.904 1.00 0.00 C ATOM 0 H PHE A 56 11.302 -5.248 -12.036 1.00 0.00 H new ATOM 0 HA PHE A 56 9.974 -2.860 -12.800 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.511 -4.071 -10.557 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.727 -2.335 -10.659 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.974 -1.616 -11.679 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.218 -4.231 -8.600 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.793 -1.275 -10.508 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.034 -3.892 -7.431 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.348 -2.419 -8.399 1.00 0.00 H new ATOM 606 N GLU A 57 13.189 -2.972 -13.269 1.00 0.00 N ATOM 607 CA GLU A 57 14.318 -2.270 -13.856 1.00 0.00 C ATOM 608 C GLU A 57 14.042 -1.960 -15.329 1.00 0.00 C ATOM 609 O GLU A 57 14.547 -0.975 -15.865 1.00 0.00 O ATOM 610 CB GLU A 57 15.608 -3.078 -13.699 1.00 0.00 C ATOM 611 CG GLU A 57 16.295 -2.759 -12.369 1.00 0.00 C ATOM 612 CD GLU A 57 17.322 -3.836 -12.011 1.00 0.00 C ATOM 613 OE1 GLU A 57 17.915 -3.789 -10.923 1.00 0.00 O ATOM 614 OE2 GLU A 57 17.494 -4.746 -12.909 1.00 0.00 O ATOM 0 H GLU A 57 13.369 -3.948 -13.033 1.00 0.00 H new ATOM 0 HA GLU A 57 14.451 -1.328 -13.325 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.383 -4.143 -13.750 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.284 -2.855 -14.525 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.787 -1.789 -12.433 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.548 -2.686 -11.578 1.00 0.00 H new ATOM 622 N LYS A 58 13.241 -2.819 -15.942 1.00 0.00 N ATOM 623 CA LYS A 58 12.892 -2.649 -17.342 1.00 0.00 C ATOM 624 C LYS A 58 11.747 -1.640 -17.458 1.00 0.00 C ATOM 625 O LYS A 58 11.237 -1.399 -18.551 1.00 0.00 O ATOM 626 CB LYS A 58 12.586 -4.003 -17.986 1.00 0.00 C ATOM 627 CG LYS A 58 12.066 -3.825 -19.414 1.00 0.00 C ATOM 628 CD LYS A 58 10.539 -3.739 -19.434 1.00 0.00 C ATOM 629 CE LYS A 58 9.915 -5.115 -19.677 1.00 0.00 C ATOM 630 NZ LYS A 58 10.578 -6.140 -18.839 1.00 0.00 N ATOM 0 H LYS A 58 12.824 -3.635 -15.495 1.00 0.00 H new ATOM 0 HA LYS A 58 13.736 -2.241 -17.899 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.487 -4.617 -17.997 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.845 -4.535 -17.389 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.491 -2.920 -19.849 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.395 -4.661 -20.032 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.182 -3.336 -18.486 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.220 -3.048 -20.215 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.850 -5.083 -19.448 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.007 -5.382 -20.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.120 -7.062 -18.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.583 -6.205 -19.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.497 -5.874 -17.837 1.00 0.00 H new ATOM 644 N GLY A 59 11.377 -1.078 -16.317 1.00 0.00 N ATOM 645 CA GLY A 59 10.303 -0.101 -16.277 1.00 0.00 C ATOM 646 C GLY A 59 10.382 0.750 -15.009 1.00 0.00 C ATOM 647 O GLY A 59 9.839 0.375 -13.970 1.00 0.00 O ATOM 0 H GLY A 59 11.802 -1.281 -15.412 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.359 0.542 -17.155 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.341 -0.611 -16.317 1.00 0.00 H new ATOM 651 N GLU A 60 11.063 1.880 -15.134 1.00 0.00 N ATOM 652 CA GLU A 60 11.220 2.787 -14.010 1.00 0.00 C ATOM 653 C GLU A 60 9.854 3.148 -13.424 1.00 0.00 C ATOM 654 O GLU A 60 8.992 3.673 -14.127 1.00 0.00 O ATOM 655 CB GLU A 60 11.988 4.044 -14.423 1.00 0.00 C ATOM 656 CG GLU A 60 12.048 5.053 -13.274 1.00 0.00 C ATOM 657 CD GLU A 60 13.094 6.135 -13.549 1.00 0.00 C ATOM 658 OE1 GLU A 60 13.144 7.145 -12.831 1.00 0.00 O ATOM 659 OE2 GLU A 60 13.873 5.899 -14.550 1.00 0.00 O ATOM 0 H GLU A 60 11.512 2.188 -15.997 1.00 0.00 H new ATOM 0 HA GLU A 60 11.802 2.282 -13.240 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.999 3.773 -14.727 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.507 4.501 -15.288 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.070 5.514 -13.139 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.289 4.537 -12.344 1.00 0.00 H new ATOM 667 N VAL A 61 9.698 2.851 -12.142 1.00 0.00 N ATOM 668 CA VAL A 61 8.451 3.138 -11.453 1.00 0.00 C ATOM 669 C VAL A 61 8.451 4.598 -10.995 1.00 0.00 C ATOM 670 O VAL A 61 9.453 5.297 -11.136 1.00 0.00 O ATOM 671 CB VAL A 61 8.250 2.150 -10.302 1.00 0.00 C ATOM 672 CG1 VAL A 61 8.550 0.718 -10.750 1.00 0.00 C ATOM 673 CG2 VAL A 61 9.104 2.536 -9.092 1.00 0.00 C ATOM 0 H VAL A 61 10.415 2.414 -11.562 1.00 0.00 H new ATOM 0 HA VAL A 61 7.604 3.009 -12.126 1.00 0.00 H new ATOM 0 HB VAL A 61 7.203 2.195 -10.001 1.00 0.00 H new ATOM 0 HG11 VAL A 61 8.399 0.036 -9.913 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.881 0.444 -11.566 1.00 0.00 H new ATOM 0 HG13 VAL A 61 9.583 0.652 -11.090 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.942 1.818 -8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 61 10.157 2.534 -9.374 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.822 3.532 -8.750 1.00 0.00 H new ATOM 683 N SER A 62 7.314 5.015 -10.456 1.00 0.00 N ATOM 684 CA SER A 62 7.170 6.379 -9.976 1.00 0.00 C ATOM 685 C SER A 62 7.576 6.461 -8.503 1.00 0.00 C ATOM 686 O SER A 62 8.037 7.503 -8.040 1.00 0.00 O ATOM 687 CB SER A 62 5.736 6.878 -10.160 1.00 0.00 C ATOM 688 OG SER A 62 5.297 6.755 -11.510 1.00 0.00 O ATOM 0 H SER A 62 6.485 4.432 -10.341 1.00 0.00 H new ATOM 0 HA SER A 62 7.827 7.020 -10.563 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.069 6.313 -9.509 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.673 7.922 -9.852 1.00 0.00 H new ATOM 0 HG SER A 62 4.376 7.082 -11.586 1.00 0.00 H new ATOM 694 N ASN A 63 7.390 5.349 -7.808 1.00 0.00 N ATOM 695 CA ASN A 63 7.731 5.282 -6.397 1.00 0.00 C ATOM 696 C ASN A 63 9.117 4.654 -6.241 1.00 0.00 C ATOM 697 O ASN A 63 9.459 4.153 -5.171 1.00 0.00 O ATOM 698 CB ASN A 63 6.730 4.416 -5.629 1.00 0.00 C ATOM 699 CG ASN A 63 6.716 2.985 -6.169 1.00 0.00 C ATOM 700 OD1 ASN A 63 5.875 2.604 -6.968 1.00 0.00 O ATOM 701 ND2 ASN A 63 7.690 2.216 -5.691 1.00 0.00 N ATOM 0 H ASN A 63 7.007 4.487 -8.196 1.00 0.00 H new ATOM 0 HA ASN A 63 7.712 6.296 -5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.989 4.406 -4.570 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.733 4.849 -5.709 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.766 1.244 -5.991 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.361 2.598 -5.025 1.00 0.00 H new ATOM 708 N PHE A 64 9.879 4.701 -7.324 1.00 0.00 N ATOM 709 CA PHE A 64 11.220 4.143 -7.321 1.00 0.00 C ATOM 710 C PHE A 64 12.017 4.638 -6.113 1.00 0.00 C ATOM 711 O PHE A 64 12.516 5.763 -6.112 1.00 0.00 O ATOM 712 CB PHE A 64 11.907 4.623 -8.601 1.00 0.00 C ATOM 713 CG PHE A 64 13.069 3.736 -9.054 1.00 0.00 C ATOM 714 CD1 PHE A 64 14.191 3.645 -8.292 1.00 0.00 C ATOM 715 CD2 PHE A 64 12.978 3.039 -10.218 1.00 0.00 C ATOM 716 CE1 PHE A 64 15.269 2.821 -8.712 1.00 0.00 C ATOM 717 CE2 PHE A 64 14.056 2.216 -10.638 1.00 0.00 C ATOM 718 CZ PHE A 64 15.179 2.124 -9.877 1.00 0.00 C ATOM 0 H PHE A 64 9.593 5.117 -8.210 1.00 0.00 H new ATOM 0 HA PHE A 64 11.170 3.055 -7.269 1.00 0.00 H new ATOM 0 HB2 PHE A 64 11.168 4.673 -9.401 1.00 0.00 H new ATOM 0 HB3 PHE A 64 12.276 5.636 -8.445 1.00 0.00 H new ATOM 0 HD1 PHE A 64 14.263 4.199 -7.368 1.00 0.00 H new ATOM 0 HD2 PHE A 64 12.086 3.111 -10.823 1.00 0.00 H new ATOM 0 HE1 PHE A 64 16.160 2.748 -8.106 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.984 1.663 -11.563 1.00 0.00 H new ATOM 0 HZ PHE A 64 15.999 1.498 -10.197 1.00 0.00 H new ATOM 728 N ASP A 65 12.112 3.775 -5.113 1.00 0.00 N ATOM 729 CA ASP A 65 12.840 4.110 -3.900 1.00 0.00 C ATOM 730 C ASP A 65 14.301 3.684 -4.054 1.00 0.00 C ATOM 731 O ASP A 65 15.199 4.525 -4.068 1.00 0.00 O ATOM 732 CB ASP A 65 12.259 3.379 -2.689 1.00 0.00 C ATOM 733 CG ASP A 65 12.418 4.110 -1.354 1.00 0.00 C ATOM 734 OD1 ASP A 65 11.873 3.686 -0.325 1.00 0.00 O ATOM 735 OD2 ASP A 65 13.149 5.172 -1.399 1.00 0.00 O ATOM 0 H ASP A 65 11.697 2.843 -5.117 1.00 0.00 H new ATOM 0 HA ASP A 65 12.759 5.186 -3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.198 3.202 -2.865 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.736 2.402 -2.610 1.00 0.00 H new ATOM 741 N ASP A 66 14.495 2.378 -4.165 1.00 0.00 N ATOM 742 CA ASP A 66 15.832 1.830 -4.317 1.00 0.00 C ATOM 743 C ASP A 66 15.733 0.344 -4.670 1.00 0.00 C ATOM 744 O ASP A 66 14.768 -0.322 -4.299 1.00 0.00 O ATOM 745 CB ASP A 66 16.629 1.954 -3.017 1.00 0.00 C ATOM 746 CG ASP A 66 18.143 2.086 -3.197 1.00 0.00 C ATOM 747 OD1 ASP A 66 18.633 2.371 -4.300 1.00 0.00 O ATOM 748 OD2 ASP A 66 18.838 1.879 -2.130 1.00 0.00 O ATOM 0 H ASP A 66 13.748 1.683 -4.153 1.00 0.00 H new ATOM 0 HA ASP A 66 16.337 2.388 -5.105 1.00 0.00 H new ATOM 0 HB2 ASP A 66 16.266 2.823 -2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.427 1.079 -2.399 1.00 0.00 H new ATOM 754 N VAL A 67 16.743 -0.131 -5.383 1.00 0.00 N ATOM 755 CA VAL A 67 16.782 -1.525 -5.790 1.00 0.00 C ATOM 756 C VAL A 67 16.747 -2.416 -4.547 1.00 0.00 C ATOM 757 O VAL A 67 15.858 -3.254 -4.405 1.00 0.00 O ATOM 758 CB VAL A 67 18.006 -1.778 -6.673 1.00 0.00 C ATOM 759 CG1 VAL A 67 17.955 -3.177 -7.291 1.00 0.00 C ATOM 760 CG2 VAL A 67 18.133 -0.705 -7.756 1.00 0.00 C ATOM 0 H VAL A 67 17.541 0.425 -5.690 1.00 0.00 H new ATOM 0 HA VAL A 67 15.907 -1.772 -6.391 1.00 0.00 H new ATOM 0 HB VAL A 67 18.892 -1.722 -6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 67 18.836 -3.332 -7.914 1.00 0.00 H new ATOM 0 HG12 VAL A 67 17.935 -3.925 -6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 67 17.057 -3.272 -7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 67 19.011 -0.909 -8.369 1.00 0.00 H new ATOM 0 HG22 VAL A 67 17.242 -0.714 -8.384 1.00 0.00 H new ATOM 0 HG23 VAL A 67 18.237 0.274 -7.288 1.00 0.00 H new ATOM 770 N GLU A 68 17.724 -2.204 -3.678 1.00 0.00 N ATOM 771 CA GLU A 68 17.816 -2.978 -2.452 1.00 0.00 C ATOM 772 C GLU A 68 16.461 -3.010 -1.742 1.00 0.00 C ATOM 773 O GLU A 68 16.128 -3.991 -1.078 1.00 0.00 O ATOM 774 CB GLU A 68 18.904 -2.420 -1.532 1.00 0.00 C ATOM 775 CG GLU A 68 18.677 -2.861 -0.085 1.00 0.00 C ATOM 776 CD GLU A 68 19.943 -2.667 0.753 1.00 0.00 C ATOM 777 OE1 GLU A 68 19.873 -2.122 1.865 1.00 0.00 O ATOM 778 OE2 GLU A 68 21.028 -3.106 0.210 1.00 0.00 O ATOM 0 H GLU A 68 18.459 -1.507 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 68 18.093 -4.000 -2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.882 -2.761 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.909 -1.331 -1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.858 -2.288 0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.379 -3.909 -0.063 1.00 0.00 H new ATOM 786 N GLU A 69 15.717 -1.927 -1.906 1.00 0.00 N ATOM 787 CA GLU A 69 14.406 -1.819 -1.289 1.00 0.00 C ATOM 788 C GLU A 69 13.397 -2.698 -2.031 1.00 0.00 C ATOM 789 O GLU A 69 12.678 -3.481 -1.412 1.00 0.00 O ATOM 790 CB GLU A 69 13.938 -0.363 -1.247 1.00 0.00 C ATOM 791 CG GLU A 69 12.994 -0.124 -0.067 1.00 0.00 C ATOM 792 CD GLU A 69 13.779 0.184 1.210 1.00 0.00 C ATOM 793 OE1 GLU A 69 13.441 1.135 1.931 1.00 0.00 O ATOM 794 OE2 GLU A 69 14.772 -0.605 1.443 1.00 0.00 O ATOM 0 H GLU A 69 15.997 -1.116 -2.458 1.00 0.00 H new ATOM 0 HA GLU A 69 14.479 -2.172 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.801 0.298 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.431 -0.113 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.324 0.705 -0.295 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.371 -1.004 0.089 1.00 0.00 H new ATOM 802 N LEU A 70 13.375 -2.538 -3.346 1.00 0.00 N ATOM 803 CA LEU A 70 12.466 -3.307 -4.178 1.00 0.00 C ATOM 804 C LEU A 70 12.725 -4.800 -3.965 1.00 0.00 C ATOM 805 O LEU A 70 11.808 -5.553 -3.640 1.00 0.00 O ATOM 806 CB LEU A 70 12.574 -2.867 -5.639 1.00 0.00 C ATOM 807 CG LEU A 70 11.687 -1.691 -6.053 1.00 0.00 C ATOM 808 CD1 LEU A 70 10.533 -2.160 -6.940 1.00 0.00 C ATOM 809 CD2 LEU A 70 11.192 -0.920 -4.827 1.00 0.00 C ATOM 0 H LEU A 70 13.972 -1.887 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 70 11.433 -3.118 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.612 -2.603 -5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.332 -3.720 -6.273 1.00 0.00 H new ATOM 0 HG LEU A 70 12.288 -1.002 -6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.918 -1.304 -7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.933 -2.629 -7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.924 -2.881 -6.394 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.564 -0.089 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.613 -1.586 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.046 -0.534 -4.270 1.00 0.00 H new ATOM 821 N VAL A 71 13.979 -5.183 -4.155 1.00 0.00 N ATOM 822 CA VAL A 71 14.370 -6.573 -3.988 1.00 0.00 C ATOM 823 C VAL A 71 14.038 -7.024 -2.564 1.00 0.00 C ATOM 824 O VAL A 71 13.577 -8.145 -2.356 1.00 0.00 O ATOM 825 CB VAL A 71 15.849 -6.745 -4.340 1.00 0.00 C ATOM 826 CG1 VAL A 71 16.055 -6.755 -5.856 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.701 -5.660 -3.678 1.00 0.00 C ATOM 0 H VAL A 71 14.737 -4.556 -4.423 1.00 0.00 H new ATOM 0 HA VAL A 71 13.810 -7.213 -4.670 1.00 0.00 H new ATOM 0 HB VAL A 71 16.175 -7.710 -3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.115 -6.879 -6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.494 -7.580 -6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.703 -5.813 -6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.748 -5.806 -3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.372 -4.679 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.591 -5.721 -2.595 1.00 0.00 H new ATOM 837 N LYS A 72 14.284 -6.127 -1.621 1.00 0.00 N ATOM 838 CA LYS A 72 14.016 -6.418 -0.223 1.00 0.00 C ATOM 839 C LYS A 72 12.506 -6.550 -0.014 1.00 0.00 C ATOM 840 O LYS A 72 12.058 -7.313 0.841 1.00 0.00 O ATOM 841 CB LYS A 72 14.673 -5.371 0.678 1.00 0.00 C ATOM 842 CG LYS A 72 14.192 -5.512 2.124 1.00 0.00 C ATOM 843 CD LYS A 72 14.560 -6.884 2.693 1.00 0.00 C ATOM 844 CE LYS A 72 14.676 -6.832 4.218 1.00 0.00 C ATOM 845 NZ LYS A 72 13.337 -6.915 4.843 1.00 0.00 N ATOM 0 H LYS A 72 14.666 -5.198 -1.798 1.00 0.00 H new ATOM 0 HA LYS A 72 14.461 -7.372 0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.757 -5.481 0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.441 -4.372 0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.637 -4.729 2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.112 -5.375 2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.804 -7.615 2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.505 -7.218 2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.299 -7.654 4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.168 -5.907 4.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.434 -6.878 5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.754 -6.116 4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.881 -7.809 4.570 1.00 0.00 H new ATOM 859 N LYS A 73 11.763 -5.794 -0.809 1.00 0.00 N ATOM 860 CA LYS A 73 10.313 -5.816 -0.722 1.00 0.00 C ATOM 861 C LYS A 73 9.790 -7.121 -1.326 1.00 0.00 C ATOM 862 O LYS A 73 8.744 -7.623 -0.918 1.00 0.00 O ATOM 863 CB LYS A 73 9.718 -4.561 -1.362 1.00 0.00 C ATOM 864 CG LYS A 73 9.871 -3.350 -0.440 1.00 0.00 C ATOM 865 CD LYS A 73 8.970 -3.479 0.790 1.00 0.00 C ATOM 866 CE LYS A 73 7.535 -3.821 0.384 1.00 0.00 C ATOM 867 NZ LYS A 73 7.066 -2.907 -0.682 1.00 0.00 N ATOM 0 H LYS A 73 12.138 -5.162 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 73 9.994 -5.796 0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.213 -4.364 -2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.663 -4.725 -1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.910 -3.257 -0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.620 -2.440 -0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.359 -4.253 1.451 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.980 -2.545 1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.486 -4.852 0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.878 -3.746 1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.091 -3.153 -0.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.094 -1.927 -0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.683 -2.999 -1.514 1.00 0.00 H new ATOM 881 N VAL A 74 10.542 -7.633 -2.289 1.00 0.00 N ATOM 882 CA VAL A 74 10.168 -8.870 -2.953 1.00 0.00 C ATOM 883 C VAL A 74 10.354 -10.041 -1.985 1.00 0.00 C ATOM 884 O VAL A 74 9.412 -10.786 -1.718 1.00 0.00 O ATOM 885 CB VAL A 74 10.967 -9.032 -4.247 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.611 -10.342 -4.952 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.756 -7.835 -5.176 1.00 0.00 C ATOM 0 H VAL A 74 11.409 -7.214 -2.625 1.00 0.00 H new ATOM 0 HA VAL A 74 9.116 -8.847 -3.237 1.00 0.00 H new ATOM 0 HB VAL A 74 12.024 -9.070 -3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 74 11.193 -10.432 -5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.837 -11.182 -4.295 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.548 -10.347 -5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 74 11.335 -7.976 -6.088 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.699 -7.751 -5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 74 11.083 -6.924 -4.675 1.00 0.00 H new ATOM 897 N VAL A 75 11.574 -10.166 -1.486 1.00 0.00 N ATOM 898 CA VAL A 75 11.896 -11.233 -0.554 1.00 0.00 C ATOM 899 C VAL A 75 11.000 -11.113 0.680 1.00 0.00 C ATOM 900 O VAL A 75 10.602 -12.120 1.264 1.00 0.00 O ATOM 901 CB VAL A 75 13.388 -11.200 -0.215 1.00 0.00 C ATOM 902 CG1 VAL A 75 14.233 -11.027 -1.478 1.00 0.00 C ATOM 903 CG2 VAL A 75 13.694 -10.102 0.805 1.00 0.00 C ATOM 0 H VAL A 75 12.352 -9.546 -1.709 1.00 0.00 H new ATOM 0 HA VAL A 75 11.701 -12.206 -1.005 1.00 0.00 H new ATOM 0 HB VAL A 75 13.651 -12.157 0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 75 15.289 -11.007 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 75 14.047 -11.859 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.966 -10.091 -1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 75 14.761 -10.100 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.408 -9.134 0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.132 -10.289 1.720 1.00 0.00 H new ATOM 913 N ALA A 76 10.708 -9.872 1.042 1.00 0.00 N ATOM 914 CA ALA A 76 9.866 -9.608 2.196 1.00 0.00 C ATOM 915 C ALA A 76 8.482 -10.217 1.964 1.00 0.00 C ATOM 916 O ALA A 76 7.960 -10.927 2.822 1.00 0.00 O ATOM 917 CB ALA A 76 9.804 -8.100 2.448 1.00 0.00 C ATOM 0 H ALA A 76 11.040 -9.039 0.556 1.00 0.00 H new ATOM 0 HA ALA A 76 10.284 -10.072 3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.172 -7.901 3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.808 -7.721 2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.387 -7.602 1.573 1.00 0.00 H new ATOM 923 N VAL A 77 7.927 -9.918 0.798 1.00 0.00 N ATOM 924 CA VAL A 77 6.614 -10.428 0.442 1.00 0.00 C ATOM 925 C VAL A 77 6.697 -11.943 0.242 1.00 0.00 C ATOM 926 O VAL A 77 5.751 -12.666 0.552 1.00 0.00 O ATOM 927 CB VAL A 77 6.083 -9.691 -0.790 1.00 0.00 C ATOM 928 CG1 VAL A 77 6.231 -10.549 -2.048 1.00 0.00 C ATOM 929 CG2 VAL A 77 4.629 -9.261 -0.586 1.00 0.00 C ATOM 0 H VAL A 77 8.363 -9.329 0.088 1.00 0.00 H new ATOM 0 HA VAL A 77 5.902 -10.245 1.247 1.00 0.00 H new ATOM 0 HB VAL A 77 6.682 -8.791 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.846 -10.002 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.284 -10.783 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.669 -11.475 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.276 -8.740 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.010 -10.141 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.564 -8.595 0.275 1.00 0.00 H new ATOM 939 N CYS A 78 7.837 -12.378 -0.274 1.00 0.00 N ATOM 940 CA CYS A 78 8.055 -13.794 -0.519 1.00 0.00 C ATOM 941 C CYS A 78 7.867 -14.544 0.802 1.00 0.00 C ATOM 942 O CYS A 78 7.166 -15.553 0.852 1.00 0.00 O ATOM 943 CB CYS A 78 9.432 -14.056 -1.133 1.00 0.00 C ATOM 944 SG CYS A 78 10.453 -15.045 0.019 1.00 0.00 S ATOM 0 H CYS A 78 8.619 -11.775 -0.529 1.00 0.00 H new ATOM 0 HA CYS A 78 7.330 -14.156 -1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 78 9.322 -14.584 -2.080 1.00 0.00 H new ATOM 0 HB3 CYS A 78 9.928 -13.110 -1.351 1.00 0.00 H new ATOM 0 HG CYS A 78 10.913 -14.276 0.961 1.00 0.00 H new ATOM 950 N GLU A 79 8.505 -14.021 1.838 1.00 0.00 N ATOM 951 CA GLU A 79 8.417 -14.629 3.155 1.00 0.00 C ATOM 952 C GLU A 79 7.047 -14.350 3.778 1.00 0.00 C ATOM 953 O GLU A 79 6.501 -15.193 4.487 1.00 0.00 O ATOM 954 CB GLU A 79 9.544 -14.134 4.064 1.00 0.00 C ATOM 955 CG GLU A 79 8.982 -13.517 5.347 1.00 0.00 C ATOM 956 CD GLU A 79 10.110 -13.058 6.274 1.00 0.00 C ATOM 957 OE1 GLU A 79 10.022 -11.972 6.866 1.00 0.00 O ATOM 958 OE2 GLU A 79 11.104 -13.874 6.368 1.00 0.00 O ATOM 0 H GLU A 79 9.085 -13.183 1.793 1.00 0.00 H new ATOM 0 HA GLU A 79 8.531 -15.707 3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.205 -14.964 4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.146 -13.396 3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.343 -12.669 5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.357 -14.246 5.862 1.00 0.00 H new ATOM 966 N GLU A 80 6.533 -13.163 3.490 1.00 0.00 N ATOM 967 CA GLU A 80 5.238 -12.762 4.013 1.00 0.00 C ATOM 968 C GLU A 80 4.129 -13.623 3.402 1.00 0.00 C ATOM 969 O GLU A 80 3.027 -13.697 3.943 1.00 0.00 O ATOM 970 CB GLU A 80 4.980 -11.276 3.759 1.00 0.00 C ATOM 971 CG GLU A 80 3.824 -10.765 4.622 1.00 0.00 C ATOM 972 CD GLU A 80 3.940 -9.257 4.856 1.00 0.00 C ATOM 973 OE1 GLU A 80 3.399 -8.464 4.071 1.00 0.00 O ATOM 974 OE2 GLU A 80 4.621 -8.918 5.898 1.00 0.00 O ATOM 0 H GLU A 80 6.990 -12.466 2.901 1.00 0.00 H new ATOM 0 HA GLU A 80 5.240 -12.917 5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.882 -10.704 3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.750 -11.118 2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.875 -10.989 4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.822 -11.286 5.579 1.00 0.00 H new ATOM 982 N LEU A 81 4.460 -14.251 2.284 1.00 0.00 N ATOM 983 CA LEU A 81 3.507 -15.103 1.594 1.00 0.00 C ATOM 984 C LEU A 81 3.500 -16.487 2.247 1.00 0.00 C ATOM 985 O LEU A 81 2.547 -17.247 2.088 1.00 0.00 O ATOM 986 CB LEU A 81 3.803 -15.133 0.093 1.00 0.00 C ATOM 987 CG LEU A 81 2.734 -15.782 -0.789 1.00 0.00 C ATOM 988 CD1 LEU A 81 1.620 -14.788 -1.122 1.00 0.00 C ATOM 989 CD2 LEU A 81 3.357 -16.389 -2.048 1.00 0.00 C ATOM 0 H LEU A 81 5.375 -14.187 1.838 1.00 0.00 H new ATOM 0 HA LEU A 81 2.499 -14.700 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.954 -14.109 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.743 -15.662 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 81 2.279 -16.599 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.874 -15.275 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.151 -14.445 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.041 -13.935 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.576 -16.844 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.855 -15.607 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.084 -17.149 -1.764 1.00 0.00 H new ATOM 1001 N GLY A 82 4.575 -16.771 2.968 1.00 0.00 N ATOM 1002 CA GLY A 82 4.705 -18.050 3.645 1.00 0.00 C ATOM 1003 C GLY A 82 4.007 -19.161 2.858 1.00 0.00 C ATOM 1004 O GLY A 82 3.370 -20.035 3.444 1.00 0.00 O ATOM 0 H GLY A 82 5.364 -16.137 3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.760 -18.295 3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.275 -17.982 4.644 1.00 0.00 H new ATOM 1008 N ALA A 83 4.151 -19.090 1.543 1.00 0.00 N ATOM 1009 CA ALA A 83 3.542 -20.079 0.670 1.00 0.00 C ATOM 1010 C ALA A 83 4.608 -20.652 -0.266 1.00 0.00 C ATOM 1011 O ALA A 83 5.410 -19.908 -0.829 1.00 0.00 O ATOM 1012 CB ALA A 83 2.379 -19.441 -0.093 1.00 0.00 C ATOM 0 H ALA A 83 4.680 -18.363 1.061 1.00 0.00 H new ATOM 0 HA ALA A 83 3.135 -20.906 1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.923 -20.183 -0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.636 -19.076 0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.749 -18.608 -0.691 1.00 0.00 H new ATOM 1018 N GLU A 84 4.583 -21.970 -0.403 1.00 0.00 N ATOM 1019 CA GLU A 84 5.538 -22.651 -1.261 1.00 0.00 C ATOM 1020 C GLU A 84 4.896 -23.889 -1.891 1.00 0.00 C ATOM 1021 O GLU A 84 5.595 -24.811 -2.309 1.00 0.00 O ATOM 1022 CB GLU A 84 6.803 -23.024 -0.486 1.00 0.00 C ATOM 1023 CG GLU A 84 8.052 -22.827 -1.347 1.00 0.00 C ATOM 1024 CD GLU A 84 8.739 -21.499 -1.021 1.00 0.00 C ATOM 1025 OE1 GLU A 84 8.718 -21.059 0.138 1.00 0.00 O ATOM 1026 OE2 GLU A 84 9.311 -20.921 -2.022 1.00 0.00 O ATOM 0 H GLU A 84 3.917 -22.584 0.066 1.00 0.00 H new ATOM 0 HA GLU A 84 5.829 -21.970 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.877 -22.412 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.741 -24.062 -0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.747 -23.650 -1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.778 -22.850 -2.402 1.00 0.00 H new ATOM 1034 N GLU A 85 3.572 -23.871 -1.939 1.00 0.00 N ATOM 1035 CA GLU A 85 2.828 -24.980 -2.511 1.00 0.00 C ATOM 1036 C GLU A 85 1.327 -24.786 -2.284 1.00 0.00 C ATOM 1037 O GLU A 85 0.920 -24.148 -1.315 1.00 0.00 O ATOM 1038 CB GLU A 85 3.302 -26.314 -1.931 1.00 0.00 C ATOM 1039 CG GLU A 85 3.526 -27.345 -3.039 1.00 0.00 C ATOM 1040 CD GLU A 85 4.570 -28.382 -2.620 1.00 0.00 C ATOM 1041 OE1 GLU A 85 5.602 -28.530 -3.291 1.00 0.00 O ATOM 1042 OE2 GLU A 85 4.279 -29.048 -1.554 1.00 0.00 O ATOM 0 H GLU A 85 2.995 -23.105 -1.591 1.00 0.00 H new ATOM 0 HA GLU A 85 3.013 -25.001 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.228 -26.165 -1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.563 -26.690 -1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.585 -27.844 -3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.853 -26.841 -3.949 1.00 0.00 H new ATOM 1050 N CYS A 86 0.546 -25.347 -3.195 1.00 0.00 N ATOM 1051 CA CYS A 86 -0.900 -25.244 -3.107 1.00 0.00 C ATOM 1052 C CYS A 86 -1.452 -26.598 -2.657 1.00 0.00 C ATOM 1053 O CYS A 86 -1.924 -27.384 -3.477 1.00 0.00 O ATOM 1054 CB CYS A 86 -1.516 -24.788 -4.432 1.00 0.00 C ATOM 1055 SG CYS A 86 -3.339 -24.716 -4.282 1.00 0.00 S ATOM 0 H CYS A 86 0.888 -25.875 -3.998 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.169 -24.482 -2.375 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.126 -23.807 -4.705 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.235 -25.476 -5.229 1.00 0.00 H new ATOM 1060 N PHE A 87 -1.375 -26.829 -1.355 1.00 0.00 N ATOM 1061 CA PHE A 87 -1.861 -28.074 -0.785 1.00 0.00 C ATOM 1062 C PHE A 87 -3.342 -28.283 -1.108 1.00 0.00 C ATOM 1063 O PHE A 87 -3.803 -29.419 -1.215 1.00 0.00 O ATOM 1064 CB PHE A 87 -1.692 -27.968 0.732 1.00 0.00 C ATOM 1065 CG PHE A 87 -1.893 -29.291 1.474 1.00 0.00 C ATOM 1066 CD1 PHE A 87 -1.141 -30.376 1.147 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -2.825 -29.383 2.460 1.00 0.00 C ATOM 1068 CE1 PHE A 87 -1.327 -31.603 1.835 1.00 0.00 C ATOM 1069 CE2 PHE A 87 -3.012 -30.610 3.149 1.00 0.00 C ATOM 1070 CZ PHE A 87 -2.259 -31.695 2.822 1.00 0.00 C ATOM 0 H PHE A 87 -0.983 -26.175 -0.678 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.304 -28.915 -1.198 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.694 -27.589 0.951 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.402 -27.236 1.116 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.402 -30.304 0.363 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.423 -28.522 2.719 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.729 -32.464 1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.752 -30.682 3.933 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.401 -32.629 3.346 1.00 0.00 H new ATOM 1080 N SER A 88 -4.046 -27.170 -1.254 1.00 0.00 N ATOM 1081 CA SER A 88 -5.465 -27.218 -1.563 1.00 0.00 C ATOM 1082 C SER A 88 -5.689 -27.953 -2.886 1.00 0.00 C ATOM 1083 O SER A 88 -6.817 -28.319 -3.214 1.00 0.00 O ATOM 1084 CB SER A 88 -6.061 -25.810 -1.630 1.00 0.00 C ATOM 1085 OG SER A 88 -5.309 -24.953 -2.485 1.00 0.00 O ATOM 0 H SER A 88 -3.660 -26.230 -1.164 1.00 0.00 H new ATOM 0 HA SER A 88 -5.971 -27.760 -0.764 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.089 -25.868 -1.988 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.096 -25.383 -0.628 1.00 0.00 H new ATOM 0 HG SER A 88 -4.594 -25.466 -2.916 1.00 0.00 H new ATOM 1091 N CYS A 89 -4.597 -28.148 -3.610 1.00 0.00 N ATOM 1092 CA CYS A 89 -4.660 -28.833 -4.890 1.00 0.00 C ATOM 1093 C CYS A 89 -5.329 -30.191 -4.675 1.00 0.00 C ATOM 1094 O CYS A 89 -6.138 -30.625 -5.494 1.00 0.00 O ATOM 1095 CB CYS A 89 -3.275 -28.973 -5.525 1.00 0.00 C ATOM 1096 SG CYS A 89 -3.004 -27.631 -6.739 1.00 0.00 S ATOM 0 H CYS A 89 -3.663 -27.844 -3.335 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.251 -28.245 -5.592 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.507 -28.937 -4.753 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -3.187 -29.942 -6.016 1.00 0.00 H new ATOM 1101 N ASP A 90 -4.968 -30.825 -3.569 1.00 0.00 N ATOM 1102 CA ASP A 90 -5.524 -32.126 -3.236 1.00 0.00 C ATOM 1103 C ASP A 90 -6.823 -31.935 -2.451 1.00 0.00 C ATOM 1104 O ASP A 90 -7.570 -32.888 -2.239 1.00 0.00 O ATOM 1105 CB ASP A 90 -4.558 -32.931 -2.364 1.00 0.00 C ATOM 1106 CG ASP A 90 -4.741 -34.448 -2.428 1.00 0.00 C ATOM 1107 OD1 ASP A 90 -4.049 -35.205 -1.730 1.00 0.00 O ATOM 1108 OD2 ASP A 90 -5.650 -34.854 -3.249 1.00 0.00 O ATOM 0 H ASP A 90 -4.297 -30.462 -2.892 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.703 -32.664 -4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.537 -32.690 -2.661 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.673 -32.610 -1.329 1.00 0.00 H new ATOM 1114 N PHE A 91 -7.052 -30.696 -2.041 1.00 0.00 N ATOM 1115 CA PHE A 91 -8.248 -30.367 -1.284 1.00 0.00 C ATOM 1116 C PHE A 91 -9.434 -30.111 -2.216 1.00 0.00 C ATOM 1117 O PHE A 91 -9.376 -29.230 -3.073 1.00 0.00 O ATOM 1118 CB PHE A 91 -7.944 -29.089 -0.501 1.00 0.00 C ATOM 1119 CG PHE A 91 -9.044 -28.687 0.484 1.00 0.00 C ATOM 1120 CD1 PHE A 91 -10.121 -27.979 0.050 1.00 0.00 C ATOM 1121 CD2 PHE A 91 -8.944 -29.037 1.794 1.00 0.00 C ATOM 1122 CE1 PHE A 91 -11.141 -27.605 0.965 1.00 0.00 C ATOM 1123 CE2 PHE A 91 -9.964 -28.664 2.709 1.00 0.00 C ATOM 1124 CZ PHE A 91 -11.041 -27.956 2.275 1.00 0.00 C ATOM 0 H PHE A 91 -6.430 -29.908 -2.219 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.511 -31.195 -0.625 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.011 -29.224 0.047 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.785 -28.273 -1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -10.201 -27.701 -0.991 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.089 -29.599 2.139 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -11.996 -27.042 0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.884 -28.943 3.749 1.00 0.00 H new ATOM 0 HZ PHE A 91 -11.817 -27.673 2.971 1.00 0.00 H new ATOM 1134 N ASP A 92 -10.482 -30.898 -2.018 1.00 0.00 N ATOM 1135 CA ASP A 92 -11.679 -30.767 -2.831 1.00 0.00 C ATOM 1136 C ASP A 92 -12.301 -29.389 -2.597 1.00 0.00 C ATOM 1137 O ASP A 92 -12.578 -28.659 -3.547 1.00 0.00 O ATOM 1138 CB ASP A 92 -12.719 -31.825 -2.454 1.00 0.00 C ATOM 1139 CG ASP A 92 -12.932 -32.015 -0.951 1.00 0.00 C ATOM 1140 OD1 ASP A 92 -11.971 -32.184 -0.185 1.00 0.00 O ATOM 1141 OD2 ASP A 92 -14.163 -31.984 -0.567 1.00 0.00 O ATOM 0 H ASP A 92 -10.527 -31.628 -1.307 1.00 0.00 H new ATOM 0 HA ASP A 92 -11.394 -30.897 -3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.672 -31.555 -2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.418 -32.779 -2.887 1.00 0.00 H new TER 1147 ASP A 92 HETATM 1148 ZN ZN A 101 -4.307 -25.609 -6.359 1.00 0.00 ZN