USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 574 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 20 LYS NZ :NH3+ -114:sc= 0.497 (180deg=-0.00308) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0.461 USER MOD Single : A 3 SER OG : rot -46:sc= 0.126 USER MOD Single : A 4 TYR OH : rot 91:sc= 0.0224 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -93:sc= -0.495 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= -0.204 (180deg=-0.67) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 174:sc= 1.08 (180deg=1.02) USER MOD Single : A 29 GLN : amide:sc= -0.077 K(o=-0.077,f=-0.65) USER MOD Single : A 31 HIS : no HE2:sc= -1.56! C(o=-1.6!,f=-8.6!) USER MOD Single : A 34 LYS NZ :NH3+ -144:sc= 1.28 (180deg=1.08) USER MOD Single : A 35 ASN : amide:sc= -0.329 K(o=-0.33,f=-2) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 1.26 (180deg=1.18) USER MOD Single : A 44 LYS NZ :NH3+ -153:sc= 1.35 (180deg=0.729!) USER MOD Single : A 45 LYS NZ :NH3+ 144:sc= 0.25 (180deg=0.000373) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -23:sc= 0.0603 USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= -1.11! (180deg=-2.28!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -7.946 1.333 8.553 1.00 0.00 N ATOM 31 CA SER A 3 -6.632 0.778 8.892 1.00 0.00 C ATOM 32 C SER A 3 -5.602 1.022 7.780 1.00 0.00 C ATOM 33 O SER A 3 -4.413 0.758 7.958 1.00 0.00 O ATOM 34 CB SER A 3 -6.742 -0.721 9.207 1.00 0.00 C ATOM 35 OG SER A 3 -5.580 -1.197 9.869 1.00 0.00 O ATOM 0 HA SER A 3 -6.280 1.299 9.782 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.617 -0.900 9.831 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.890 -1.279 8.282 1.00 0.00 H new ATOM 0 HG SER A 3 -4.782 -0.862 9.410 1.00 0.00 H new ATOM 41 N TYR A 4 -6.052 1.557 6.647 1.00 0.00 N ATOM 42 CA TYR A 4 -5.170 1.804 5.508 1.00 0.00 C ATOM 43 C TYR A 4 -4.076 2.809 5.855 1.00 0.00 C ATOM 44 O TYR A 4 -2.973 2.754 5.312 1.00 0.00 O ATOM 45 CB TYR A 4 -5.972 2.298 4.304 1.00 0.00 C ATOM 46 CG TYR A 4 -6.894 1.256 3.705 1.00 0.00 C ATOM 47 CD1 TYR A 4 -6.393 0.244 2.893 1.00 0.00 C ATOM 48 CD2 TYR A 4 -8.263 1.295 3.934 1.00 0.00 C ATOM 49 CE1 TYR A 4 -7.232 -0.700 2.330 1.00 0.00 C ATOM 50 CE2 TYR A 4 -9.106 0.352 3.378 1.00 0.00 C ATOM 51 CZ TYR A 4 -8.587 -0.640 2.576 1.00 0.00 C ATOM 52 OH TYR A 4 -9.428 -1.575 2.014 1.00 0.00 O ATOM 0 H TYR A 4 -7.023 1.828 6.493 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.692 0.858 5.253 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.565 3.162 4.606 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.279 2.640 3.535 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.332 0.195 2.699 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -8.675 2.075 4.557 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.828 -1.480 1.701 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.168 0.393 3.572 1.00 0.00 H new ATOM 0 HH TYR A 4 -9.536 -2.330 2.629 1.00 0.00 H new ATOM 62 N TYR A 5 -4.381 3.717 6.766 1.00 0.00 N ATOM 63 CA TYR A 5 -3.400 4.681 7.247 1.00 0.00 C ATOM 64 C TYR A 5 -2.256 3.974 7.970 1.00 0.00 C ATOM 65 O TYR A 5 -1.109 4.406 7.909 1.00 0.00 O ATOM 66 CB TYR A 5 -4.077 5.709 8.165 1.00 0.00 C ATOM 67 CG TYR A 5 -5.280 5.168 8.909 1.00 0.00 C ATOM 68 CD1 TYR A 5 -5.137 4.480 10.108 1.00 0.00 C ATOM 69 CD2 TYR A 5 -6.562 5.341 8.402 1.00 0.00 C ATOM 70 CE1 TYR A 5 -6.236 3.975 10.774 1.00 0.00 C ATOM 71 CE2 TYR A 5 -7.665 4.844 9.066 1.00 0.00 C ATOM 72 CZ TYR A 5 -7.498 4.161 10.249 1.00 0.00 C ATOM 73 OH TYR A 5 -8.595 3.646 10.898 1.00 0.00 O ATOM 0 H TYR A 5 -5.304 3.809 7.191 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.978 5.207 6.390 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.347 6.072 8.889 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.387 6.567 7.568 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.151 4.338 10.525 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.698 5.874 7.472 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -6.108 3.437 11.702 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.655 4.990 8.659 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.406 3.868 10.395 1.00 0.00 H new ATOM 83 N GLU A 6 -2.580 2.892 8.664 1.00 0.00 N ATOM 84 CA GLU A 6 -1.577 2.085 9.342 1.00 0.00 C ATOM 85 C GLU A 6 -0.786 1.224 8.366 1.00 0.00 C ATOM 86 O GLU A 6 0.435 1.119 8.471 1.00 0.00 O ATOM 87 CB GLU A 6 -2.234 1.207 10.404 1.00 0.00 C ATOM 88 CG GLU A 6 -2.660 1.983 11.631 1.00 0.00 C ATOM 89 CD GLU A 6 -1.472 2.482 12.426 1.00 0.00 C ATOM 90 OE1 GLU A 6 -0.915 3.545 12.070 1.00 0.00 O ATOM 91 OE2 GLU A 6 -1.083 1.806 13.401 1.00 0.00 O ATOM 0 H GLU A 6 -3.536 2.552 8.772 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.876 2.769 9.822 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.105 0.714 9.972 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.538 0.422 10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -3.276 2.830 11.329 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.280 1.348 12.265 1.00 0.00 H new ATOM 98 N ILE A 7 -1.482 0.598 7.424 1.00 0.00 N ATOM 99 CA ILE A 7 -0.824 -0.298 6.478 1.00 0.00 C ATOM 100 C ILE A 7 0.097 0.478 5.537 1.00 0.00 C ATOM 101 O ILE A 7 1.183 0.013 5.190 1.00 0.00 O ATOM 102 CB ILE A 7 -1.839 -1.166 5.681 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.795 -0.319 4.833 1.00 0.00 C ATOM 104 CG2 ILE A 7 -2.642 -2.036 6.634 1.00 0.00 C ATOM 105 CD1 ILE A 7 -2.322 -0.067 3.416 1.00 0.00 C ATOM 0 H ILE A 7 -2.489 0.692 7.295 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.213 -0.985 7.063 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.260 -1.790 5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.765 -0.816 4.796 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.947 0.640 5.328 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.350 -2.640 6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.967 -2.690 7.185 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.186 -1.402 7.335 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.059 0.539 2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.368 0.460 3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.199 -1.019 2.899 1.00 0.00 H new ATOM 117 N LEU A 8 -0.341 1.662 5.127 1.00 0.00 N ATOM 118 CA LEU A 8 0.488 2.535 4.316 1.00 0.00 C ATOM 119 C LEU A 8 1.098 3.628 5.191 1.00 0.00 C ATOM 120 O LEU A 8 2.121 3.410 5.843 1.00 0.00 O ATOM 121 CB LEU A 8 -0.325 3.135 3.161 1.00 0.00 C ATOM 122 CG LEU A 8 0.482 3.908 2.114 1.00 0.00 C ATOM 123 CD1 LEU A 8 1.533 3.012 1.475 1.00 0.00 C ATOM 124 CD2 LEU A 8 -0.445 4.482 1.053 1.00 0.00 C ATOM 0 H LEU A 8 -1.265 2.036 5.344 1.00 0.00 H new ATOM 0 HA LEU A 8 1.298 1.952 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.859 2.328 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.078 3.803 3.579 1.00 0.00 H new ATOM 0 HG LEU A 8 0.994 4.731 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.095 3.581 0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.214 2.645 2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.044 2.167 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.141 5.029 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.982 3.671 0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.160 5.158 1.522 1.00 0.00 H new ATOM 136 N ASP A 9 0.428 4.777 5.248 1.00 0.00 N ATOM 137 CA ASP A 9 0.862 5.901 6.079 1.00 0.00 C ATOM 138 C ASP A 9 -0.119 7.064 5.963 1.00 0.00 C ATOM 139 O ASP A 9 -0.177 7.933 6.837 1.00 0.00 O ATOM 140 CB ASP A 9 2.284 6.366 5.721 1.00 0.00 C ATOM 141 CG ASP A 9 2.408 6.908 4.311 1.00 0.00 C ATOM 142 OD1 ASP A 9 2.211 8.124 4.124 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.727 6.123 3.395 1.00 0.00 O ATOM 0 H ASP A 9 -0.428 4.956 4.722 1.00 0.00 H new ATOM 0 HA ASP A 9 0.880 5.552 7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.593 7.137 6.426 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.972 5.529 5.842 1.00 0.00 H new ATOM 148 N VAL A 10 -0.912 7.066 4.897 1.00 0.00 N ATOM 149 CA VAL A 10 -1.915 8.108 4.694 1.00 0.00 C ATOM 150 C VAL A 10 -3.319 7.508 4.655 1.00 0.00 C ATOM 151 O VAL A 10 -3.502 6.345 4.291 1.00 0.00 O ATOM 152 CB VAL A 10 -1.669 8.890 3.382 1.00 0.00 C ATOM 153 CG1 VAL A 10 -0.421 9.745 3.488 1.00 0.00 C ATOM 154 CG2 VAL A 10 -1.561 7.940 2.200 1.00 0.00 C ATOM 0 H VAL A 10 -0.881 6.360 4.161 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.831 8.796 5.535 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.523 9.548 3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.269 10.285 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.537 10.458 4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.441 9.107 3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.388 8.512 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.730 7.253 2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.487 7.373 2.103 1.00 0.00 H new ATOM 164 N PRO A 11 -4.326 8.291 5.070 1.00 0.00 N ATOM 165 CA PRO A 11 -5.713 7.866 5.088 1.00 0.00 C ATOM 166 C PRO A 11 -6.481 8.279 3.830 1.00 0.00 C ATOM 167 O PRO A 11 -5.924 8.902 2.926 1.00 0.00 O ATOM 168 CB PRO A 11 -6.266 8.591 6.318 1.00 0.00 C ATOM 169 CG PRO A 11 -5.354 9.763 6.558 1.00 0.00 C ATOM 170 CD PRO A 11 -4.197 9.652 5.593 1.00 0.00 C ATOM 0 HA PRO A 11 -5.811 6.781 5.120 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.290 8.923 6.147 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.286 7.929 7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.889 10.701 6.407 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.995 9.763 7.587 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.262 10.396 4.799 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.240 9.802 6.093 1.00 0.00 H new ATOM 178 N ARG A 12 -7.768 7.954 3.800 1.00 0.00 N ATOM 179 CA ARG A 12 -8.623 8.251 2.649 1.00 0.00 C ATOM 180 C ARG A 12 -8.779 9.756 2.435 1.00 0.00 C ATOM 181 O ARG A 12 -9.006 10.217 1.316 1.00 0.00 O ATOM 182 CB ARG A 12 -10.007 7.630 2.849 1.00 0.00 C ATOM 183 CG ARG A 12 -10.680 8.066 4.142 1.00 0.00 C ATOM 184 CD ARG A 12 -12.131 7.622 4.207 1.00 0.00 C ATOM 185 NE ARG A 12 -12.809 8.185 5.371 1.00 0.00 N ATOM 186 CZ ARG A 12 -13.691 9.182 5.311 1.00 0.00 C ATOM 187 NH1 ARG A 12 -14.067 9.672 4.136 1.00 0.00 N ATOM 188 NH2 ARG A 12 -14.201 9.670 6.430 1.00 0.00 N ATOM 0 H ARG A 12 -8.249 7.481 4.565 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.144 7.824 1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.644 7.900 2.007 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.915 6.544 2.844 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.136 7.652 4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.629 9.151 4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.648 7.930 3.298 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.179 6.534 4.247 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.594 7.791 6.287 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.681 9.285 3.275 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.742 10.435 4.094 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.918 9.283 7.330 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.877 10.433 6.392 1.00 0.00 H new ATOM 202 N SER A 13 -8.659 10.506 3.520 1.00 0.00 N ATOM 203 CA SER A 13 -8.863 11.952 3.504 1.00 0.00 C ATOM 204 C SER A 13 -7.844 12.676 2.622 1.00 0.00 C ATOM 205 O SER A 13 -8.078 13.807 2.192 1.00 0.00 O ATOM 206 CB SER A 13 -8.803 12.478 4.935 1.00 0.00 C ATOM 207 OG SER A 13 -7.802 11.802 5.678 1.00 0.00 O ATOM 0 H SER A 13 -8.418 10.132 4.438 1.00 0.00 H new ATOM 0 HA SER A 13 -9.844 12.152 3.072 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.595 13.548 4.926 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.772 12.346 5.417 1.00 0.00 H new ATOM 0 HG SER A 13 -8.202 11.041 6.148 1.00 0.00 H new ATOM 213 N ALA A 14 -6.722 12.025 2.354 1.00 0.00 N ATOM 214 CA ALA A 14 -5.692 12.597 1.505 1.00 0.00 C ATOM 215 C ALA A 14 -6.053 12.423 0.036 1.00 0.00 C ATOM 216 O ALA A 14 -6.726 11.457 -0.334 1.00 0.00 O ATOM 217 CB ALA A 14 -4.336 11.975 1.800 1.00 0.00 C ATOM 0 H ALA A 14 -6.503 11.096 2.715 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.628 13.663 1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.582 12.421 1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.071 12.157 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.381 10.901 1.619 1.00 0.00 H new ATOM 223 N SER A 15 -5.655 13.391 -0.781 1.00 0.00 N ATOM 224 CA SER A 15 -5.837 13.319 -2.227 1.00 0.00 C ATOM 225 C SER A 15 -5.310 11.986 -2.758 1.00 0.00 C ATOM 226 O SER A 15 -4.294 11.483 -2.284 1.00 0.00 O ATOM 227 CB SER A 15 -5.091 14.488 -2.890 1.00 0.00 C ATOM 228 OG SER A 15 -5.118 14.401 -4.306 1.00 0.00 O ATOM 0 H SER A 15 -5.198 14.245 -0.462 1.00 0.00 H new ATOM 0 HA SER A 15 -6.899 13.388 -2.463 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.541 15.430 -2.576 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.056 14.499 -2.547 1.00 0.00 H new ATOM 0 HG SER A 15 -4.635 15.162 -4.690 1.00 0.00 H new ATOM 234 N ALA A 16 -6.012 11.414 -3.732 1.00 0.00 N ATOM 235 CA ALA A 16 -5.601 10.150 -4.339 1.00 0.00 C ATOM 236 C ALA A 16 -4.185 10.256 -4.900 1.00 0.00 C ATOM 237 O ALA A 16 -3.434 9.281 -4.914 1.00 0.00 O ATOM 238 CB ALA A 16 -6.584 9.730 -5.424 1.00 0.00 C ATOM 0 H ALA A 16 -6.870 11.806 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.602 9.383 -3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.260 8.787 -5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.575 9.606 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.621 10.497 -6.198 1.00 0.00 H new ATOM 244 N ASP A 17 -3.829 11.450 -5.359 1.00 0.00 N ATOM 245 CA ASP A 17 -2.470 11.728 -5.811 1.00 0.00 C ATOM 246 C ASP A 17 -1.486 11.650 -4.647 1.00 0.00 C ATOM 247 O ASP A 17 -0.345 11.217 -4.817 1.00 0.00 O ATOM 248 CB ASP A 17 -2.381 13.101 -6.475 1.00 0.00 C ATOM 249 CG ASP A 17 -2.922 13.105 -7.891 1.00 0.00 C ATOM 250 OD1 ASP A 17 -2.198 12.665 -8.812 1.00 0.00 O ATOM 251 OD2 ASP A 17 -4.071 13.546 -8.095 1.00 0.00 O ATOM 0 H ASP A 17 -4.465 12.244 -5.428 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.206 10.969 -6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.935 13.825 -5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.341 13.427 -6.487 1.00 0.00 H new ATOM 256 N ASP A 18 -1.941 12.061 -3.466 1.00 0.00 N ATOM 257 CA ASP A 18 -1.119 12.017 -2.253 1.00 0.00 C ATOM 258 C ASP A 18 -0.869 10.574 -1.839 1.00 0.00 C ATOM 259 O ASP A 18 0.247 10.203 -1.481 1.00 0.00 O ATOM 260 CB ASP A 18 -1.796 12.776 -1.103 1.00 0.00 C ATOM 261 CG ASP A 18 -0.879 12.951 0.092 1.00 0.00 C ATOM 262 OD1 ASP A 18 -0.114 13.935 0.115 1.00 0.00 O ATOM 263 OD2 ASP A 18 -0.918 12.113 1.013 1.00 0.00 O ATOM 0 H ASP A 18 -2.880 12.431 -3.320 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.166 12.499 -2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.118 13.755 -1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.692 12.238 -0.794 1.00 0.00 H new ATOM 268 N ILE A 19 -1.916 9.758 -1.900 1.00 0.00 N ATOM 269 CA ILE A 19 -1.780 8.325 -1.658 1.00 0.00 C ATOM 270 C ILE A 19 -0.820 7.717 -2.674 1.00 0.00 C ATOM 271 O ILE A 19 -0.004 6.856 -2.348 1.00 0.00 O ATOM 272 CB ILE A 19 -3.147 7.597 -1.722 1.00 0.00 C ATOM 273 CG1 ILE A 19 -3.918 7.789 -0.422 1.00 0.00 C ATOM 274 CG2 ILE A 19 -2.982 6.117 -2.026 1.00 0.00 C ATOM 275 CD1 ILE A 19 -4.591 9.127 -0.328 1.00 0.00 C ATOM 0 H ILE A 19 -2.866 10.063 -2.114 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.382 8.195 -0.652 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.716 8.041 -2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.669 7.004 -0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.235 7.673 0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.962 5.642 -2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.484 5.996 -2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.381 5.650 -1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.123 9.201 0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.841 9.916 -0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.298 9.237 -1.150 1.00 0.00 H new ATOM 287 N LYS A 20 -0.913 8.190 -3.909 1.00 0.00 N ATOM 288 CA LYS A 20 -0.020 7.746 -4.963 1.00 0.00 C ATOM 289 C LYS A 20 1.413 8.180 -4.649 1.00 0.00 C ATOM 290 O LYS A 20 2.366 7.468 -4.956 1.00 0.00 O ATOM 291 CB LYS A 20 -0.484 8.301 -6.309 1.00 0.00 C ATOM 292 CG LYS A 20 -0.113 7.425 -7.494 1.00 0.00 C ATOM 293 CD LYS A 20 -0.661 7.989 -8.799 1.00 0.00 C ATOM 294 CE LYS A 20 -2.180 8.120 -8.769 1.00 0.00 C ATOM 295 NZ LYS A 20 -2.868 6.800 -8.747 1.00 0.00 N ATOM 0 H LYS A 20 -1.601 8.883 -4.203 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.040 6.658 -5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.567 8.426 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.052 9.291 -6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.972 7.341 -7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.502 6.419 -7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.216 8.966 -8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.369 7.341 -9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.474 8.694 -7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.510 8.683 -9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.400 6.671 -9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.162 6.042 -8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.523 6.763 -7.940 1.00 0.00 H new ATOM 309 N LYS A 21 1.559 9.353 -4.029 1.00 0.00 N ATOM 310 CA LYS A 21 2.865 9.810 -3.554 1.00 0.00 C ATOM 311 C LYS A 21 3.372 8.880 -2.467 1.00 0.00 C ATOM 312 O LYS A 21 4.542 8.496 -2.456 1.00 0.00 O ATOM 313 CB LYS A 21 2.801 11.239 -2.996 1.00 0.00 C ATOM 314 CG LYS A 21 2.459 12.325 -4.010 1.00 0.00 C ATOM 315 CD LYS A 21 3.527 12.480 -5.085 1.00 0.00 C ATOM 316 CE LYS A 21 3.384 11.440 -6.180 1.00 0.00 C ATOM 317 NZ LYS A 21 2.011 11.439 -6.760 1.00 0.00 N ATOM 0 H LYS A 21 0.792 10.000 -3.845 1.00 0.00 H new ATOM 0 HA LYS A 21 3.543 9.804 -4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.060 11.266 -2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.764 11.478 -2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.505 12.089 -4.482 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.331 13.275 -3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.461 13.477 -5.521 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.514 12.395 -4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.112 11.637 -6.967 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.610 10.453 -5.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.020 10.941 -7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.360 10.956 -6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.694 12.419 -6.903 1.00 0.00 H new ATOM 331 N ALA A 22 2.472 8.509 -1.564 1.00 0.00 N ATOM 332 CA ALA A 22 2.798 7.598 -0.480 1.00 0.00 C ATOM 333 C ALA A 22 3.274 6.267 -1.041 1.00 0.00 C ATOM 334 O ALA A 22 4.277 5.724 -0.592 1.00 0.00 O ATOM 335 CB ALA A 22 1.593 7.389 0.424 1.00 0.00 C ATOM 0 H ALA A 22 1.504 8.830 -1.564 1.00 0.00 H new ATOM 0 HA ALA A 22 3.600 8.037 0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.857 6.704 1.230 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.285 8.345 0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.772 6.968 -0.156 1.00 0.00 H new ATOM 341 N TYR A 23 2.560 5.766 -2.044 1.00 0.00 N ATOM 342 CA TYR A 23 2.950 4.539 -2.726 1.00 0.00 C ATOM 343 C TYR A 23 4.306 4.694 -3.403 1.00 0.00 C ATOM 344 O TYR A 23 5.138 3.794 -3.333 1.00 0.00 O ATOM 345 CB TYR A 23 1.880 4.114 -3.743 1.00 0.00 C ATOM 346 CG TYR A 23 2.432 3.519 -5.029 1.00 0.00 C ATOM 347 CD1 TYR A 23 2.920 2.217 -5.073 1.00 0.00 C ATOM 348 CD2 TYR A 23 2.472 4.271 -6.197 1.00 0.00 C ATOM 349 CE1 TYR A 23 3.433 1.685 -6.242 1.00 0.00 C ATOM 350 CE2 TYR A 23 2.986 3.747 -7.368 1.00 0.00 C ATOM 351 CZ TYR A 23 3.463 2.454 -7.387 1.00 0.00 C ATOM 352 OH TYR A 23 3.986 1.936 -8.553 1.00 0.00 O ATOM 0 H TYR A 23 1.706 6.193 -2.403 1.00 0.00 H new ATOM 0 HA TYR A 23 3.037 3.754 -1.975 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.221 3.384 -3.274 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.269 4.982 -3.992 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.898 1.611 -4.179 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.095 5.283 -6.189 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.808 0.672 -6.258 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.014 4.348 -8.265 1.00 0.00 H new ATOM 0 HH TYR A 23 3.930 2.608 -9.264 1.00 0.00 H new ATOM 362 N ARG A 24 4.535 5.830 -4.053 1.00 0.00 N ATOM 363 CA ARG A 24 5.787 6.033 -4.767 1.00 0.00 C ATOM 364 C ARG A 24 6.971 6.112 -3.809 1.00 0.00 C ATOM 365 O ARG A 24 8.008 5.504 -4.056 1.00 0.00 O ATOM 366 CB ARG A 24 5.741 7.269 -5.673 1.00 0.00 C ATOM 367 CG ARG A 24 4.929 7.061 -6.929 1.00 0.00 C ATOM 368 CD ARG A 24 5.192 8.182 -7.905 1.00 0.00 C ATOM 369 NE ARG A 24 6.468 7.994 -8.594 1.00 0.00 N ATOM 370 CZ ARG A 24 7.155 8.959 -9.203 1.00 0.00 C ATOM 371 NH1 ARG A 24 6.695 10.202 -9.234 1.00 0.00 N ATOM 372 NH2 ARG A 24 8.305 8.668 -9.793 1.00 0.00 N ATOM 0 H ARG A 24 3.881 6.612 -4.100 1.00 0.00 H new ATOM 0 HA ARG A 24 5.925 5.162 -5.407 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.323 8.106 -5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.758 7.547 -5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.186 6.104 -7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.868 7.023 -6.684 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.384 8.229 -8.636 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.198 9.135 -7.376 1.00 0.00 H new ATOM 0 HE ARG A 24 6.862 7.053 -8.609 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.806 10.428 -8.788 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.230 10.932 -9.703 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.658 7.711 -9.779 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.838 9.401 -10.262 1.00 0.00 H new ATOM 386 N ARG A 25 6.821 6.837 -2.708 1.00 0.00 N ATOM 387 CA ARG A 25 7.895 6.911 -1.722 1.00 0.00 C ATOM 388 C ARG A 25 8.044 5.571 -1.006 1.00 0.00 C ATOM 389 O ARG A 25 9.143 5.179 -0.625 1.00 0.00 O ATOM 390 CB ARG A 25 7.672 8.051 -0.723 1.00 0.00 C ATOM 391 CG ARG A 25 6.420 7.929 0.132 1.00 0.00 C ATOM 392 CD ARG A 25 6.357 9.055 1.152 1.00 0.00 C ATOM 393 NE ARG A 25 5.097 9.086 1.893 1.00 0.00 N ATOM 394 CZ ARG A 25 4.570 10.204 2.400 1.00 0.00 C ATOM 395 NH1 ARG A 25 5.208 11.362 2.264 1.00 0.00 N ATOM 396 NH2 ARG A 25 3.425 10.161 3.065 1.00 0.00 N ATOM 0 H ARG A 25 5.985 7.373 -2.476 1.00 0.00 H new ATOM 0 HA ARG A 25 8.823 7.129 -2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.538 8.109 -0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.626 8.991 -1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.535 7.957 -0.504 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.415 6.967 0.644 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.183 8.947 1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.495 10.008 0.642 1.00 0.00 H new ATOM 0 HE ARG A 25 4.595 8.209 2.030 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.101 11.398 1.772 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.805 12.215 2.651 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.942 9.272 3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.027 11.017 3.450 1.00 0.00 H new ATOM 410 N LYS A 26 6.927 4.873 -0.847 1.00 0.00 N ATOM 411 CA LYS A 26 6.914 3.525 -0.296 1.00 0.00 C ATOM 412 C LYS A 26 7.729 2.590 -1.186 1.00 0.00 C ATOM 413 O LYS A 26 8.509 1.765 -0.707 1.00 0.00 O ATOM 414 CB LYS A 26 5.461 3.048 -0.224 1.00 0.00 C ATOM 415 CG LYS A 26 5.259 1.702 0.435 1.00 0.00 C ATOM 416 CD LYS A 26 5.688 1.733 1.881 1.00 0.00 C ATOM 417 CE LYS A 26 5.127 0.554 2.660 1.00 0.00 C ATOM 418 NZ LYS A 26 5.568 -0.750 2.106 1.00 0.00 N ATOM 0 H LYS A 26 6.003 5.226 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 26 7.357 3.523 0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.877 3.792 0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.059 3.003 -1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.209 1.416 0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.829 0.943 -0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.776 1.722 1.938 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.354 2.664 2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.440 0.628 3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.038 0.600 2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.245 -1.518 2.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.163 -0.879 1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.606 -0.768 2.044 1.00 0.00 H new ATOM 432 N ALA A 27 7.525 2.741 -2.484 1.00 0.00 N ATOM 433 CA ALA A 27 8.245 1.976 -3.494 1.00 0.00 C ATOM 434 C ALA A 27 9.731 2.323 -3.521 1.00 0.00 C ATOM 435 O ALA A 27 10.583 1.440 -3.537 1.00 0.00 O ATOM 436 CB ALA A 27 7.631 2.219 -4.870 1.00 0.00 C ATOM 0 H ALA A 27 6.851 3.402 -2.871 1.00 0.00 H new ATOM 0 HA ALA A 27 8.156 0.922 -3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.176 1.643 -5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.586 1.908 -4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.692 3.280 -5.113 1.00 0.00 H new ATOM 442 N LEU A 28 10.029 3.619 -3.532 1.00 0.00 N ATOM 443 CA LEU A 28 11.406 4.102 -3.627 1.00 0.00 C ATOM 444 C LEU A 28 12.206 3.787 -2.369 1.00 0.00 C ATOM 445 O LEU A 28 13.396 3.482 -2.448 1.00 0.00 O ATOM 446 CB LEU A 28 11.435 5.608 -3.911 1.00 0.00 C ATOM 447 CG LEU A 28 11.552 5.995 -5.387 1.00 0.00 C ATOM 448 CD1 LEU A 28 10.308 5.574 -6.146 1.00 0.00 C ATOM 449 CD2 LEU A 28 11.776 7.491 -5.525 1.00 0.00 C ATOM 0 H LEU A 28 9.330 4.360 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 28 11.875 3.577 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.527 6.054 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.274 6.047 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 28 12.409 5.475 -5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.408 5.857 -7.194 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.185 4.494 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.436 6.069 -5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.857 7.751 -6.580 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.936 8.027 -5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.696 7.770 -5.011 1.00 0.00 H new ATOM 461 N GLN A 29 11.556 3.863 -1.217 1.00 0.00 N ATOM 462 CA GLN A 29 12.225 3.620 0.055 1.00 0.00 C ATOM 463 C GLN A 29 12.760 2.193 0.132 1.00 0.00 C ATOM 464 O GLN A 29 13.861 1.957 0.629 1.00 0.00 O ATOM 465 CB GLN A 29 11.260 3.870 1.215 1.00 0.00 C ATOM 466 CG GLN A 29 11.897 3.704 2.584 1.00 0.00 C ATOM 467 CD GLN A 29 12.998 4.712 2.844 1.00 0.00 C ATOM 468 OE1 GLN A 29 12.960 5.836 2.342 1.00 0.00 O ATOM 469 NE2 GLN A 29 13.992 4.309 3.614 1.00 0.00 N ATOM 0 H GLN A 29 10.565 4.091 -1.136 1.00 0.00 H new ATOM 0 HA GLN A 29 13.067 4.309 0.128 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.858 4.880 1.131 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.418 3.183 1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.130 3.804 3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.305 2.697 2.671 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.982 3.369 4.009 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.770 4.938 3.814 1.00 0.00 H new ATOM 478 N TRP A 30 11.985 1.247 -0.376 1.00 0.00 N ATOM 479 CA TRP A 30 12.361 -0.157 -0.299 1.00 0.00 C ATOM 480 C TRP A 30 12.765 -0.679 -1.669 1.00 0.00 C ATOM 481 O TRP A 30 12.784 -1.884 -1.914 1.00 0.00 O ATOM 482 CB TRP A 30 11.212 -0.984 0.285 1.00 0.00 C ATOM 483 CG TRP A 30 10.694 -0.438 1.588 1.00 0.00 C ATOM 484 CD1 TRP A 30 9.392 -0.177 1.908 1.00 0.00 C ATOM 485 CD2 TRP A 30 11.470 -0.058 2.736 1.00 0.00 C ATOM 486 NE1 TRP A 30 9.310 0.320 3.188 1.00 0.00 N ATOM 487 CE2 TRP A 30 10.571 0.407 3.712 1.00 0.00 C ATOM 488 CE3 TRP A 30 12.836 -0.069 3.032 1.00 0.00 C ATOM 489 CZ2 TRP A 30 10.990 0.854 4.963 1.00 0.00 C ATOM 490 CZ3 TRP A 30 13.253 0.376 4.273 1.00 0.00 C ATOM 491 CH2 TRP A 30 12.333 0.830 5.226 1.00 0.00 C ATOM 0 H TRP A 30 11.096 1.424 -0.844 1.00 0.00 H new ATOM 0 HA TRP A 30 13.221 -0.251 0.364 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.396 -1.021 -0.437 1.00 0.00 H new ATOM 0 HB3 TRP A 30 11.550 -2.009 0.436 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.550 -0.337 1.252 1.00 0.00 H new ATOM 0 HE1 TRP A 30 8.449 0.581 3.668 1.00 0.00 H new ATOM 0 HE3 TRP A 30 13.553 -0.419 2.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.282 1.206 5.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 14.306 0.373 4.511 1.00 0.00 H new ATOM 0 HH2 TRP A 30 12.690 1.168 6.188 1.00 0.00 H new ATOM 502 N HIS A 31 13.081 0.246 -2.559 1.00 0.00 N ATOM 503 CA HIS A 31 13.494 -0.088 -3.911 1.00 0.00 C ATOM 504 C HIS A 31 14.897 -0.690 -3.867 1.00 0.00 C ATOM 505 O HIS A 31 15.756 -0.213 -3.133 1.00 0.00 O ATOM 506 CB HIS A 31 13.471 1.191 -4.761 1.00 0.00 C ATOM 507 CG HIS A 31 13.426 0.962 -6.239 1.00 0.00 C ATOM 508 ND1 HIS A 31 14.470 1.272 -7.081 1.00 0.00 N ATOM 509 CD2 HIS A 31 12.442 0.476 -7.029 1.00 0.00 C ATOM 510 CE1 HIS A 31 14.135 0.987 -8.323 1.00 0.00 C ATOM 511 NE2 HIS A 31 12.909 0.501 -8.319 1.00 0.00 N ATOM 0 H HIS A 31 13.059 1.247 -2.365 1.00 0.00 H new ATOM 0 HA HIS A 31 12.817 -0.818 -4.355 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.604 1.786 -4.473 1.00 0.00 H new ATOM 0 HB3 HIS A 31 14.356 1.782 -4.526 1.00 0.00 H new ATOM 0 HD1 HIS A 31 15.366 1.662 -6.788 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.471 0.133 -6.705 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.757 1.127 -9.194 1.00 0.00 H new ATOM 520 N PRO A 32 15.138 -1.746 -4.674 1.00 0.00 N ATOM 521 CA PRO A 32 16.360 -2.572 -4.607 1.00 0.00 C ATOM 522 C PRO A 32 17.660 -1.788 -4.754 1.00 0.00 C ATOM 523 O PRO A 32 18.678 -2.163 -4.177 1.00 0.00 O ATOM 524 CB PRO A 32 16.206 -3.554 -5.778 1.00 0.00 C ATOM 525 CG PRO A 32 15.148 -2.963 -6.642 1.00 0.00 C ATOM 526 CD PRO A 32 14.223 -2.244 -5.709 1.00 0.00 C ATOM 0 HA PRO A 32 16.442 -3.042 -3.627 1.00 0.00 H new ATOM 0 HB2 PRO A 32 17.143 -3.667 -6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.920 -4.545 -5.426 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.577 -2.279 -7.374 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.620 -3.736 -7.200 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.694 -1.432 -6.208 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.466 -2.910 -5.295 1.00 0.00 H new ATOM 534 N ASP A 33 17.632 -0.712 -5.530 1.00 0.00 N ATOM 535 CA ASP A 33 18.821 0.122 -5.713 1.00 0.00 C ATOM 536 C ASP A 33 19.137 0.897 -4.433 1.00 0.00 C ATOM 537 O ASP A 33 20.294 1.205 -4.153 1.00 0.00 O ATOM 538 CB ASP A 33 18.643 1.088 -6.891 1.00 0.00 C ATOM 539 CG ASP A 33 17.741 2.264 -6.571 1.00 0.00 C ATOM 540 OD1 ASP A 33 16.648 2.045 -6.018 1.00 0.00 O ATOM 541 OD2 ASP A 33 18.114 3.411 -6.893 1.00 0.00 O ATOM 0 H ASP A 33 16.808 -0.395 -6.041 1.00 0.00 H new ATOM 0 HA ASP A 33 19.660 -0.537 -5.938 1.00 0.00 H new ATOM 0 HB2 ASP A 33 19.620 1.461 -7.197 1.00 0.00 H new ATOM 0 HB3 ASP A 33 18.230 0.543 -7.740 1.00 0.00 H new ATOM 546 N LYS A 34 18.100 1.192 -3.656 1.00 0.00 N ATOM 547 CA LYS A 34 18.251 1.884 -2.380 1.00 0.00 C ATOM 548 C LYS A 34 18.168 0.895 -1.222 1.00 0.00 C ATOM 549 O LYS A 34 18.087 1.286 -0.055 1.00 0.00 O ATOM 550 CB LYS A 34 17.168 2.955 -2.215 1.00 0.00 C ATOM 551 CG LYS A 34 17.721 4.368 -2.094 1.00 0.00 C ATOM 552 CD LYS A 34 18.205 4.898 -3.434 1.00 0.00 C ATOM 553 CE LYS A 34 17.042 5.234 -4.352 1.00 0.00 C ATOM 554 NZ LYS A 34 17.501 5.672 -5.695 1.00 0.00 N ATOM 0 H LYS A 34 17.135 0.960 -3.891 1.00 0.00 H new ATOM 0 HA LYS A 34 19.230 2.363 -2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.492 2.910 -3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.577 2.728 -1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.949 5.028 -1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.545 4.377 -1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.814 5.788 -3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.844 4.155 -3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.398 4.361 -4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.439 6.022 -3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.868 6.415 -6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.469 6.045 -5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.488 4.862 -6.348 1.00 0.00 H new ATOM 568 N ASN A 35 18.182 -0.388 -1.553 1.00 0.00 N ATOM 569 CA ASN A 35 18.091 -1.446 -0.556 1.00 0.00 C ATOM 570 C ASN A 35 19.462 -2.082 -0.351 1.00 0.00 C ATOM 571 O ASN A 35 20.166 -2.372 -1.317 1.00 0.00 O ATOM 572 CB ASN A 35 17.074 -2.504 -1.009 1.00 0.00 C ATOM 573 CG ASN A 35 16.982 -3.672 -0.055 1.00 0.00 C ATOM 574 OD1 ASN A 35 17.690 -4.667 -0.201 1.00 0.00 O ATOM 575 ND2 ASN A 35 16.113 -3.555 0.935 1.00 0.00 N ATOM 0 H ASN A 35 18.256 -0.724 -2.513 1.00 0.00 H new ATOM 0 HA ASN A 35 17.756 -1.021 0.390 1.00 0.00 H new ATOM 0 HB2 ASN A 35 16.092 -2.040 -1.105 1.00 0.00 H new ATOM 0 HB3 ASN A 35 17.352 -2.869 -1.998 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.010 -4.308 1.615 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.545 -2.712 1.018 1.00 0.00 H new ATOM 582 N PRO A 36 19.864 -2.292 0.916 1.00 0.00 N ATOM 583 CA PRO A 36 21.170 -2.850 1.249 1.00 0.00 C ATOM 584 C PRO A 36 21.218 -4.381 1.173 1.00 0.00 C ATOM 585 O PRO A 36 21.148 -4.954 0.085 1.00 0.00 O ATOM 586 CB PRO A 36 21.401 -2.353 2.675 1.00 0.00 C ATOM 587 CG PRO A 36 20.038 -2.216 3.264 1.00 0.00 C ATOM 588 CD PRO A 36 19.082 -1.967 2.123 1.00 0.00 C ATOM 0 HA PRO A 36 21.938 -2.537 0.542 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.008 -3.057 3.244 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.930 -1.400 2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 36 19.761 -3.119 3.808 1.00 0.00 H new ATOM 0 HG3 PRO A 36 20.008 -1.393 3.978 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.195 -2.595 2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 36 18.740 -0.932 2.109 1.00 0.00 H new ATOM 596 N ASP A 37 21.331 -5.052 2.319 1.00 0.00 N ATOM 597 CA ASP A 37 21.554 -6.494 2.317 1.00 0.00 C ATOM 598 C ASP A 37 20.266 -7.274 2.515 1.00 0.00 C ATOM 599 O ASP A 37 20.232 -8.484 2.302 1.00 0.00 O ATOM 600 CB ASP A 37 22.531 -6.890 3.424 1.00 0.00 C ATOM 601 CG ASP A 37 23.831 -6.122 3.375 1.00 0.00 C ATOM 602 OD1 ASP A 37 24.680 -6.436 2.518 1.00 0.00 O ATOM 603 OD2 ASP A 37 24.016 -5.211 4.208 1.00 0.00 O ATOM 0 H ASP A 37 21.273 -4.628 3.245 1.00 0.00 H new ATOM 0 HA ASP A 37 21.967 -6.740 1.339 1.00 0.00 H new ATOM 0 HB2 ASP A 37 22.057 -6.728 4.392 1.00 0.00 H new ATOM 0 HB3 ASP A 37 22.744 -7.956 3.347 1.00 0.00 H new ATOM 608 N ASN A 38 19.199 -6.593 2.890 1.00 0.00 N ATOM 609 CA ASN A 38 17.944 -7.278 3.168 1.00 0.00 C ATOM 610 C ASN A 38 16.928 -7.009 2.075 1.00 0.00 C ATOM 611 O ASN A 38 16.290 -5.963 2.053 1.00 0.00 O ATOM 612 CB ASN A 38 17.393 -6.867 4.534 1.00 0.00 C ATOM 613 CG ASN A 38 18.294 -7.306 5.672 1.00 0.00 C ATOM 614 OD1 ASN A 38 18.215 -8.445 6.138 1.00 0.00 O ATOM 615 ND2 ASN A 38 19.136 -6.401 6.145 1.00 0.00 N ATOM 0 H ASN A 38 19.172 -5.580 3.009 1.00 0.00 H new ATOM 0 HA ASN A 38 18.141 -8.350 3.190 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.274 -5.784 4.565 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.402 -7.301 4.669 1.00 0.00 H new ATOM 0 HD21 ASN A 38 19.751 -6.635 6.924 1.00 0.00 H new ATOM 0 HD22 ASN A 38 19.170 -5.470 5.730 1.00 0.00 H new ATOM 622 N LYS A 39 16.763 -7.971 1.184 1.00 0.00 N ATOM 623 CA LYS A 39 15.860 -7.821 0.052 1.00 0.00 C ATOM 624 C LYS A 39 14.531 -8.505 0.346 1.00 0.00 C ATOM 625 O LYS A 39 13.518 -8.213 -0.288 1.00 0.00 O ATOM 626 CB LYS A 39 16.474 -8.411 -1.227 1.00 0.00 C ATOM 627 CG LYS A 39 17.692 -7.658 -1.760 1.00 0.00 C ATOM 628 CD LYS A 39 18.954 -7.914 -0.939 1.00 0.00 C ATOM 629 CE LYS A 39 19.310 -9.393 -0.900 1.00 0.00 C ATOM 630 NZ LYS A 39 20.599 -9.646 -0.198 1.00 0.00 N ATOM 0 H LYS A 39 17.244 -8.869 1.222 1.00 0.00 H new ATOM 0 HA LYS A 39 15.692 -6.756 -0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.760 -9.445 -1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.709 -8.433 -2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.871 -7.952 -2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.479 -6.589 -1.765 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.785 -7.351 -1.364 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.807 -7.548 0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.513 -9.943 -0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.372 -9.776 -1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.850 -10.652 -0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 21.347 -9.064 -0.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.501 -9.399 0.808 1.00 0.00 H new ATOM 644 N GLU A 40 14.545 -9.407 1.322 1.00 0.00 N ATOM 645 CA GLU A 40 13.361 -10.184 1.683 1.00 0.00 C ATOM 646 C GLU A 40 12.212 -9.276 2.108 1.00 0.00 C ATOM 647 O GLU A 40 11.080 -9.408 1.627 1.00 0.00 O ATOM 648 CB GLU A 40 13.733 -11.133 2.827 1.00 0.00 C ATOM 649 CG GLU A 40 12.563 -11.831 3.511 1.00 0.00 C ATOM 650 CD GLU A 40 11.700 -12.639 2.566 1.00 0.00 C ATOM 651 OE1 GLU A 40 12.238 -13.248 1.619 1.00 0.00 O ATOM 652 OE2 GLU A 40 10.472 -12.670 2.771 1.00 0.00 O ATOM 0 H GLU A 40 15.370 -9.620 1.882 1.00 0.00 H new ATOM 0 HA GLU A 40 13.027 -10.751 0.814 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.410 -11.894 2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.286 -10.569 3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.949 -12.489 4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.943 -11.083 4.005 1.00 0.00 H new ATOM 659 N PHE A 41 12.510 -8.327 2.973 1.00 0.00 N ATOM 660 CA PHE A 41 11.490 -7.397 3.417 1.00 0.00 C ATOM 661 C PHE A 41 11.138 -6.423 2.294 1.00 0.00 C ATOM 662 O PHE A 41 9.980 -6.060 2.129 1.00 0.00 O ATOM 663 CB PHE A 41 11.899 -6.665 4.708 1.00 0.00 C ATOM 664 CG PHE A 41 12.764 -5.453 4.524 1.00 0.00 C ATOM 665 CD1 PHE A 41 14.140 -5.565 4.449 1.00 0.00 C ATOM 666 CD2 PHE A 41 12.193 -4.194 4.457 1.00 0.00 C ATOM 667 CE1 PHE A 41 14.932 -4.443 4.305 1.00 0.00 C ATOM 668 CE2 PHE A 41 12.979 -3.071 4.310 1.00 0.00 C ATOM 669 CZ PHE A 41 14.350 -3.195 4.236 1.00 0.00 C ATOM 0 H PHE A 41 13.435 -8.180 3.377 1.00 0.00 H new ATOM 0 HA PHE A 41 10.595 -7.969 3.663 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.994 -6.365 5.236 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.425 -7.370 5.352 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.600 -6.540 4.504 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.120 -4.090 4.521 1.00 0.00 H new ATOM 0 HE1 PHE A 41 16.006 -4.543 4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.521 -2.095 4.253 1.00 0.00 H new ATOM 0 HZ PHE A 41 14.967 -2.316 4.124 1.00 0.00 H new ATOM 679 N ALA A 42 12.141 -6.026 1.509 1.00 0.00 N ATOM 680 CA ALA A 42 11.936 -5.071 0.419 1.00 0.00 C ATOM 681 C ALA A 42 10.936 -5.602 -0.605 1.00 0.00 C ATOM 682 O ALA A 42 10.023 -4.883 -1.018 1.00 0.00 O ATOM 683 CB ALA A 42 13.259 -4.743 -0.263 1.00 0.00 C ATOM 0 H ALA A 42 13.103 -6.351 1.608 1.00 0.00 H new ATOM 0 HA ALA A 42 11.526 -4.159 0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.086 -4.032 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.945 -4.307 0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.694 -5.655 -0.671 1.00 0.00 H new ATOM 689 N GLU A 43 11.081 -6.871 -0.985 1.00 0.00 N ATOM 690 CA GLU A 43 10.194 -7.461 -1.981 1.00 0.00 C ATOM 691 C GLU A 43 8.780 -7.620 -1.425 1.00 0.00 C ATOM 692 O GLU A 43 7.799 -7.404 -2.140 1.00 0.00 O ATOM 693 CB GLU A 43 10.725 -8.808 -2.488 1.00 0.00 C ATOM 694 CG GLU A 43 10.965 -9.835 -1.394 1.00 0.00 C ATOM 695 CD GLU A 43 11.129 -11.238 -1.937 1.00 0.00 C ATOM 696 OE1 GLU A 43 12.233 -11.576 -2.400 1.00 0.00 O ATOM 697 OE2 GLU A 43 10.144 -12.007 -1.904 1.00 0.00 O ATOM 0 H GLU A 43 11.796 -7.502 -0.622 1.00 0.00 H new ATOM 0 HA GLU A 43 10.160 -6.777 -2.829 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.015 -9.218 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.659 -8.639 -3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.858 -9.560 -0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.130 -9.816 -0.694 1.00 0.00 H new ATOM 704 N LYS A 44 8.670 -7.998 -0.152 1.00 0.00 N ATOM 705 CA LYS A 44 7.359 -8.093 0.488 1.00 0.00 C ATOM 706 C LYS A 44 6.736 -6.710 0.670 1.00 0.00 C ATOM 707 O LYS A 44 5.524 -6.546 0.535 1.00 0.00 O ATOM 708 CB LYS A 44 7.439 -8.822 1.830 1.00 0.00 C ATOM 709 CG LYS A 44 7.243 -10.328 1.717 1.00 0.00 C ATOM 710 CD LYS A 44 8.383 -11.001 0.969 1.00 0.00 C ATOM 711 CE LYS A 44 8.157 -12.497 0.824 1.00 0.00 C ATOM 712 NZ LYS A 44 9.382 -13.193 0.343 1.00 0.00 N ATOM 0 H LYS A 44 9.459 -8.240 0.448 1.00 0.00 H new ATOM 0 HA LYS A 44 6.719 -8.677 -0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.409 -8.623 2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.683 -8.415 2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.162 -10.758 2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.303 -10.533 1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.485 -10.551 -0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.319 -10.824 1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.854 -12.914 1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.339 -12.676 0.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.112 -14.058 -0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.910 -12.564 -0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.980 -13.444 1.156 1.00 0.00 H new ATOM 726 N LYS A 45 7.568 -5.721 0.972 1.00 0.00 N ATOM 727 CA LYS A 45 7.107 -4.346 1.111 1.00 0.00 C ATOM 728 C LYS A 45 6.589 -3.826 -0.222 1.00 0.00 C ATOM 729 O LYS A 45 5.668 -3.007 -0.270 1.00 0.00 O ATOM 730 CB LYS A 45 8.215 -3.437 1.652 1.00 0.00 C ATOM 731 CG LYS A 45 8.480 -3.629 3.140 1.00 0.00 C ATOM 732 CD LYS A 45 7.194 -3.536 3.934 1.00 0.00 C ATOM 733 CE LYS A 45 7.433 -3.579 5.432 1.00 0.00 C ATOM 734 NZ LYS A 45 6.155 -3.504 6.195 1.00 0.00 N ATOM 0 H LYS A 45 8.569 -5.847 1.126 1.00 0.00 H new ATOM 0 HA LYS A 45 6.290 -4.336 1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.135 -3.628 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.944 -2.397 1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.947 -4.600 3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.183 -2.873 3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.678 -2.610 3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.535 -4.357 3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.958 -4.498 5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.079 -2.750 5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.222 -4.101 7.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.977 -2.519 6.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.373 -3.839 5.597 1.00 0.00 H new ATOM 748 N PHE A 46 7.206 -4.291 -1.297 1.00 0.00 N ATOM 749 CA PHE A 46 6.758 -3.967 -2.645 1.00 0.00 C ATOM 750 C PHE A 46 5.414 -4.638 -2.934 1.00 0.00 C ATOM 751 O PHE A 46 4.527 -4.043 -3.549 1.00 0.00 O ATOM 752 CB PHE A 46 7.810 -4.406 -3.672 1.00 0.00 C ATOM 753 CG PHE A 46 7.505 -3.979 -5.080 1.00 0.00 C ATOM 754 CD1 PHE A 46 7.735 -2.674 -5.484 1.00 0.00 C ATOM 755 CD2 PHE A 46 6.992 -4.882 -5.998 1.00 0.00 C ATOM 756 CE1 PHE A 46 7.458 -2.276 -6.779 1.00 0.00 C ATOM 757 CE2 PHE A 46 6.714 -4.489 -7.293 1.00 0.00 C ATOM 758 CZ PHE A 46 6.948 -3.185 -7.684 1.00 0.00 C ATOM 0 H PHE A 46 8.025 -4.899 -1.262 1.00 0.00 H new ATOM 0 HA PHE A 46 6.627 -2.888 -2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.778 -3.999 -3.382 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.899 -5.492 -3.644 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.135 -1.960 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.808 -5.903 -5.698 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.640 -1.256 -7.082 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.314 -5.201 -7.999 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.732 -2.877 -8.696 1.00 0.00 H new ATOM 768 N LYS A 47 5.267 -5.877 -2.476 1.00 0.00 N ATOM 769 CA LYS A 47 4.033 -6.631 -2.672 1.00 0.00 C ATOM 770 C LYS A 47 2.855 -5.949 -1.977 1.00 0.00 C ATOM 771 O LYS A 47 1.794 -5.741 -2.580 1.00 0.00 O ATOM 772 CB LYS A 47 4.205 -8.052 -2.118 1.00 0.00 C ATOM 773 CG LYS A 47 2.938 -8.899 -2.143 1.00 0.00 C ATOM 774 CD LYS A 47 2.577 -9.349 -3.550 1.00 0.00 C ATOM 775 CE LYS A 47 3.659 -10.238 -4.144 1.00 0.00 C ATOM 776 NZ LYS A 47 3.234 -10.856 -5.425 1.00 0.00 N ATOM 0 H LYS A 47 5.990 -6.382 -1.964 1.00 0.00 H new ATOM 0 HA LYS A 47 3.823 -6.673 -3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.978 -8.561 -2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.563 -7.987 -1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.075 -9.774 -1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.111 -8.326 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.631 -9.890 -3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.431 -8.476 -4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.562 -9.649 -4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.915 -11.022 -3.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.001 -11.453 -5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.388 -11.439 -5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.014 -10.109 -6.115 1.00 0.00 H new ATOM 790 N GLU A 48 3.062 -5.570 -0.720 1.00 0.00 N ATOM 791 CA GLU A 48 2.001 -4.976 0.077 1.00 0.00 C ATOM 792 C GLU A 48 1.582 -3.623 -0.480 1.00 0.00 C ATOM 793 O GLU A 48 0.394 -3.350 -0.597 1.00 0.00 O ATOM 794 CB GLU A 48 2.420 -4.835 1.543 1.00 0.00 C ATOM 795 CG GLU A 48 3.742 -4.116 1.734 1.00 0.00 C ATOM 796 CD GLU A 48 4.001 -3.712 3.165 1.00 0.00 C ATOM 797 OE1 GLU A 48 4.164 -4.599 4.025 1.00 0.00 O ATOM 798 OE2 GLU A 48 4.080 -2.495 3.429 1.00 0.00 O ATOM 0 H GLU A 48 3.954 -5.664 -0.234 1.00 0.00 H new ATOM 0 HA GLU A 48 1.145 -5.649 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.642 -4.296 2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.489 -5.827 1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.551 -4.762 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.758 -3.227 1.104 1.00 0.00 H new ATOM 805 N VAL A 49 2.547 -2.784 -0.853 1.00 0.00 N ATOM 806 CA VAL A 49 2.213 -1.452 -1.343 1.00 0.00 C ATOM 807 C VAL A 49 1.451 -1.526 -2.658 1.00 0.00 C ATOM 808 O VAL A 49 0.515 -0.763 -2.872 1.00 0.00 O ATOM 809 CB VAL A 49 3.451 -0.535 -1.511 1.00 0.00 C ATOM 810 CG1 VAL A 49 4.457 -1.127 -2.484 1.00 0.00 C ATOM 811 CG2 VAL A 49 3.026 0.849 -1.978 1.00 0.00 C ATOM 0 H VAL A 49 3.544 -2.997 -0.826 1.00 0.00 H new ATOM 0 HA VAL A 49 1.579 -1.006 -0.577 1.00 0.00 H new ATOM 0 HB VAL A 49 3.934 -0.452 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.312 -0.457 -2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.794 -2.096 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.988 -1.254 -3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.907 1.481 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.512 0.768 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.354 1.291 -1.242 1.00 0.00 H new ATOM 821 N ALA A 50 1.827 -2.455 -3.525 1.00 0.00 N ATOM 822 CA ALA A 50 1.181 -2.559 -4.825 1.00 0.00 C ATOM 823 C ALA A 50 -0.298 -2.887 -4.672 1.00 0.00 C ATOM 824 O ALA A 50 -1.156 -2.207 -5.246 1.00 0.00 O ATOM 825 CB ALA A 50 1.870 -3.623 -5.668 1.00 0.00 C ATOM 0 H ALA A 50 2.565 -3.138 -3.356 1.00 0.00 H new ATOM 0 HA ALA A 50 1.267 -1.596 -5.328 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.379 -3.693 -6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.917 -3.354 -5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.809 -4.586 -5.160 1.00 0.00 H new ATOM 831 N GLU A 51 -0.604 -3.881 -3.843 1.00 0.00 N ATOM 832 CA GLU A 51 -1.989 -4.286 -3.653 1.00 0.00 C ATOM 833 C GLU A 51 -2.749 -3.269 -2.807 1.00 0.00 C ATOM 834 O GLU A 51 -3.897 -2.932 -3.105 1.00 0.00 O ATOM 835 CB GLU A 51 -2.084 -5.683 -3.030 1.00 0.00 C ATOM 836 CG GLU A 51 -1.597 -5.768 -1.595 1.00 0.00 C ATOM 837 CD GLU A 51 -1.938 -7.098 -0.952 1.00 0.00 C ATOM 838 OE1 GLU A 51 -3.022 -7.650 -1.258 1.00 0.00 O ATOM 839 OE2 GLU A 51 -1.129 -7.607 -0.145 1.00 0.00 O ATOM 0 H GLU A 51 0.078 -4.412 -3.301 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.453 -4.326 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.122 -6.014 -3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.505 -6.378 -3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.517 -5.621 -1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.042 -4.961 -1.014 1.00 0.00 H new ATOM 846 N ALA A 52 -2.097 -2.771 -1.764 1.00 0.00 N ATOM 847 CA ALA A 52 -2.743 -1.900 -0.797 1.00 0.00 C ATOM 848 C ALA A 52 -2.965 -0.501 -1.352 1.00 0.00 C ATOM 849 O ALA A 52 -3.977 0.132 -1.060 1.00 0.00 O ATOM 850 CB ALA A 52 -1.930 -1.847 0.483 1.00 0.00 C ATOM 0 H ALA A 52 -1.114 -2.959 -1.568 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.725 -2.318 -0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.423 -1.191 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.848 -2.849 0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.934 -1.462 0.266 1.00 0.00 H new ATOM 856 N TYR A 53 -2.030 -0.017 -2.158 1.00 0.00 N ATOM 857 CA TYR A 53 -2.191 1.279 -2.792 1.00 0.00 C ATOM 858 C TYR A 53 -3.300 1.202 -3.834 1.00 0.00 C ATOM 859 O TYR A 53 -4.143 2.088 -3.921 1.00 0.00 O ATOM 860 CB TYR A 53 -0.869 1.760 -3.422 1.00 0.00 C ATOM 861 CG TYR A 53 -1.039 2.389 -4.787 1.00 0.00 C ATOM 862 CD1 TYR A 53 -1.602 3.647 -4.919 1.00 0.00 C ATOM 863 CD2 TYR A 53 -0.660 1.714 -5.942 1.00 0.00 C ATOM 864 CE1 TYR A 53 -1.790 4.215 -6.156 1.00 0.00 C ATOM 865 CE2 TYR A 53 -0.839 2.283 -7.189 1.00 0.00 C ATOM 866 CZ TYR A 53 -1.406 3.536 -7.289 1.00 0.00 C ATOM 867 OH TYR A 53 -1.602 4.111 -8.525 1.00 0.00 O ATOM 0 H TYR A 53 -1.160 -0.499 -2.385 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.470 2.010 -2.033 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.401 2.483 -2.754 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.187 0.914 -3.504 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.898 4.191 -4.035 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.219 0.731 -5.864 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.239 5.194 -6.239 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.537 1.750 -8.078 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.277 3.505 -9.223 1.00 0.00 H new ATOM 877 N GLU A 54 -3.301 0.119 -4.599 1.00 0.00 N ATOM 878 CA GLU A 54 -4.316 -0.093 -5.624 1.00 0.00 C ATOM 879 C GLU A 54 -5.718 -0.083 -5.011 1.00 0.00 C ATOM 880 O GLU A 54 -6.610 0.616 -5.497 1.00 0.00 O ATOM 881 CB GLU A 54 -4.072 -1.429 -6.331 1.00 0.00 C ATOM 882 CG GLU A 54 -5.092 -1.764 -7.410 1.00 0.00 C ATOM 883 CD GLU A 54 -4.990 -0.859 -8.619 1.00 0.00 C ATOM 884 OE1 GLU A 54 -4.183 -1.156 -9.520 1.00 0.00 O ATOM 885 OE2 GLU A 54 -5.724 0.146 -8.678 1.00 0.00 O ATOM 0 H GLU A 54 -2.610 -0.628 -4.530 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.248 0.719 -6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.079 -1.413 -6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.073 -2.226 -5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.954 -2.799 -7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.095 -1.689 -6.990 1.00 0.00 H new ATOM 892 N VAL A 55 -5.901 -0.833 -3.929 1.00 0.00 N ATOM 893 CA VAL A 55 -7.206 -0.923 -3.292 1.00 0.00 C ATOM 894 C VAL A 55 -7.592 0.392 -2.610 1.00 0.00 C ATOM 895 O VAL A 55 -8.730 0.833 -2.719 1.00 0.00 O ATOM 896 CB VAL A 55 -7.285 -2.102 -2.289 1.00 0.00 C ATOM 897 CG1 VAL A 55 -6.290 -1.953 -1.158 1.00 0.00 C ATOM 898 CG2 VAL A 55 -8.694 -2.254 -1.738 1.00 0.00 C ATOM 0 H VAL A 55 -5.168 -1.382 -3.480 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.926 -1.117 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.025 -3.006 -2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.381 -2.801 -0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.279 -1.920 -1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.493 -1.030 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.722 -3.088 -1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.985 -1.338 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.387 -2.445 -2.558 1.00 0.00 H new ATOM 908 N LEU A 56 -6.642 1.032 -1.934 1.00 0.00 N ATOM 909 CA LEU A 56 -6.926 2.255 -1.189 1.00 0.00 C ATOM 910 C LEU A 56 -7.125 3.455 -2.121 1.00 0.00 C ATOM 911 O LEU A 56 -7.904 4.360 -1.821 1.00 0.00 O ATOM 912 CB LEU A 56 -5.804 2.511 -0.169 1.00 0.00 C ATOM 913 CG LEU A 56 -6.042 3.638 0.847 1.00 0.00 C ATOM 914 CD1 LEU A 56 -5.661 4.991 0.274 1.00 0.00 C ATOM 915 CD2 LEU A 56 -7.489 3.654 1.308 1.00 0.00 C ATOM 0 H LEU A 56 -5.670 0.725 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.865 2.123 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.627 1.587 0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.889 2.735 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.402 3.441 1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.842 5.766 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.605 4.987 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.262 5.193 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.633 4.461 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.142 3.812 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.732 2.701 1.778 1.00 0.00 H new ATOM 927 N SER A 57 -6.462 3.447 -3.267 1.00 0.00 N ATOM 928 CA SER A 57 -6.528 4.580 -4.176 1.00 0.00 C ATOM 929 C SER A 57 -7.825 4.558 -4.978 1.00 0.00 C ATOM 930 O SER A 57 -8.229 5.573 -5.550 1.00 0.00 O ATOM 931 CB SER A 57 -5.317 4.577 -5.116 1.00 0.00 C ATOM 932 OG SER A 57 -5.299 5.725 -5.948 1.00 0.00 O ATOM 0 H SER A 57 -5.877 2.676 -3.588 1.00 0.00 H new ATOM 0 HA SER A 57 -6.511 5.495 -3.585 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.400 4.538 -4.528 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.338 3.679 -5.734 1.00 0.00 H new ATOM 0 HG SER A 57 -6.206 6.088 -6.024 1.00 0.00 H new ATOM 938 N ASP A 58 -8.478 3.404 -5.012 1.00 0.00 N ATOM 939 CA ASP A 58 -9.734 3.266 -5.735 1.00 0.00 C ATOM 940 C ASP A 58 -10.883 3.036 -4.767 1.00 0.00 C ATOM 941 O ASP A 58 -10.837 2.145 -3.920 1.00 0.00 O ATOM 942 CB ASP A 58 -9.658 2.123 -6.740 1.00 0.00 C ATOM 943 CG ASP A 58 -10.915 2.025 -7.578 1.00 0.00 C ATOM 944 OD1 ASP A 58 -11.001 2.731 -8.604 1.00 0.00 O ATOM 945 OD2 ASP A 58 -11.821 1.250 -7.214 1.00 0.00 O ATOM 0 H ASP A 58 -8.160 2.553 -4.549 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.914 4.193 -6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.797 2.270 -7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.500 1.183 -6.210 1.00 0.00 H new ATOM 950 N LYS A 59 -11.920 3.850 -4.898 1.00 0.00 N ATOM 951 CA LYS A 59 -13.042 3.809 -3.978 1.00 0.00 C ATOM 952 C LYS A 59 -13.826 2.506 -4.080 1.00 0.00 C ATOM 953 O LYS A 59 -14.294 1.980 -3.074 1.00 0.00 O ATOM 954 CB LYS A 59 -13.970 4.997 -4.229 1.00 0.00 C ATOM 955 CG LYS A 59 -14.192 5.347 -5.696 1.00 0.00 C ATOM 956 CD LYS A 59 -15.356 4.580 -6.310 1.00 0.00 C ATOM 957 CE LYS A 59 -16.715 5.180 -5.944 1.00 0.00 C ATOM 958 NZ LYS A 59 -17.003 5.115 -4.484 1.00 0.00 N ATOM 0 H LYS A 59 -12.006 4.549 -5.636 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.635 3.867 -2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.937 4.786 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -13.561 5.871 -3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.378 6.417 -5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.283 5.133 -6.259 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -15.248 4.570 -7.395 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.319 3.543 -5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -16.747 6.220 -6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -17.498 4.652 -6.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -18.018 5.276 -4.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -16.739 4.177 -4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -16.453 5.846 -3.989 1.00 0.00 H new ATOM 972 N HIS A 60 -13.943 1.989 -5.289 1.00 0.00 N ATOM 973 CA HIS A 60 -14.694 0.764 -5.535 1.00 0.00 C ATOM 974 C HIS A 60 -13.989 -0.438 -4.916 1.00 0.00 C ATOM 975 O HIS A 60 -14.632 -1.318 -4.347 1.00 0.00 O ATOM 976 CB HIS A 60 -14.891 0.553 -7.040 1.00 0.00 C ATOM 977 CG HIS A 60 -15.721 -0.650 -7.389 1.00 0.00 C ATOM 978 ND1 HIS A 60 -17.098 -0.638 -7.385 1.00 0.00 N ATOM 979 CD2 HIS A 60 -15.361 -1.905 -7.752 1.00 0.00 C ATOM 980 CE1 HIS A 60 -17.549 -1.830 -7.730 1.00 0.00 C ATOM 981 NE2 HIS A 60 -16.515 -2.616 -7.960 1.00 0.00 N ATOM 0 H HIS A 60 -13.525 2.399 -6.124 1.00 0.00 H new ATOM 0 HA HIS A 60 -15.673 0.863 -5.065 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -15.363 1.441 -7.461 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -13.914 0.456 -7.513 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -14.352 -2.276 -7.858 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -18.588 -2.113 -7.810 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -16.566 -3.594 -8.246 1.00 0.00 H new ATOM 990 N LYS A 61 -12.666 -0.469 -5.032 1.00 0.00 N ATOM 991 CA LYS A 61 -11.871 -1.561 -4.472 1.00 0.00 C ATOM 992 C LYS A 61 -12.046 -1.629 -2.957 1.00 0.00 C ATOM 993 O LYS A 61 -12.203 -2.713 -2.392 1.00 0.00 O ATOM 994 CB LYS A 61 -10.387 -1.392 -4.814 1.00 0.00 C ATOM 995 CG LYS A 61 -10.094 -1.238 -6.301 1.00 0.00 C ATOM 996 CD LYS A 61 -10.406 -2.500 -7.092 1.00 0.00 C ATOM 997 CE LYS A 61 -10.209 -2.270 -8.585 1.00 0.00 C ATOM 998 NZ LYS A 61 -10.470 -3.495 -9.385 1.00 0.00 N ATOM 0 H LYS A 61 -12.119 0.248 -5.508 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.226 -2.492 -4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.004 -0.517 -4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.840 -2.256 -4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.680 -0.410 -6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.044 -0.979 -6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.761 -3.312 -6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.434 -2.809 -6.900 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.874 -1.473 -8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.189 -1.931 -8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.323 -3.289 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.819 -4.249 -9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.451 -3.805 -9.234 1.00 0.00 H new ATOM 1012 N ARG A 62 -12.025 -0.468 -2.307 1.00 0.00 N ATOM 1013 CA ARG A 62 -12.218 -0.394 -0.861 1.00 0.00 C ATOM 1014 C ARG A 62 -13.581 -0.948 -0.469 1.00 0.00 C ATOM 1015 O ARG A 62 -13.701 -1.722 0.483 1.00 0.00 O ATOM 1016 CB ARG A 62 -12.093 1.046 -0.368 1.00 0.00 C ATOM 1017 CG ARG A 62 -10.706 1.636 -0.548 1.00 0.00 C ATOM 1018 CD ARG A 62 -10.621 3.041 0.020 1.00 0.00 C ATOM 1019 NE ARG A 62 -11.498 3.978 -0.679 1.00 0.00 N ATOM 1020 CZ ARG A 62 -12.484 4.657 -0.087 1.00 0.00 C ATOM 1021 NH1 ARG A 62 -12.728 4.484 1.205 1.00 0.00 N ATOM 1022 NH2 ARG A 62 -13.215 5.524 -0.783 1.00 0.00 N ATOM 0 H ARG A 62 -11.876 0.434 -2.759 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.440 -0.997 -0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.814 1.667 -0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.359 1.083 0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.972 0.998 -0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.452 1.655 -1.608 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.886 3.019 1.077 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.592 3.394 -0.044 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.348 4.122 -1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.162 3.832 1.748 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.481 5.003 1.656 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.024 5.673 -1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.967 6.040 -0.326 1.00 0.00 H new ATOM 1036 N GLU A 63 -14.600 -0.547 -1.218 1.00 0.00 N ATOM 1037 CA GLU A 63 -15.958 -1.013 -0.987 1.00 0.00 C ATOM 1038 C GLU A 63 -16.041 -2.529 -1.148 1.00 0.00 C ATOM 1039 O GLU A 63 -16.716 -3.211 -0.377 1.00 0.00 O ATOM 1040 CB GLU A 63 -16.919 -0.323 -1.958 1.00 0.00 C ATOM 1041 CG GLU A 63 -17.013 1.182 -1.754 1.00 0.00 C ATOM 1042 CD GLU A 63 -17.852 1.866 -2.815 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -19.068 1.589 -2.888 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -17.302 2.684 -3.584 1.00 0.00 O ATOM 0 H GLU A 63 -14.508 0.105 -1.997 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.244 -0.761 0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.596 -0.523 -2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -17.912 -0.759 -1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.440 1.385 -0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.010 1.608 -1.759 1.00 0.00 H new ATOM 1051 N ILE A 64 -15.337 -3.051 -2.143 1.00 0.00 N ATOM 1052 CA ILE A 64 -15.309 -4.487 -2.392 1.00 0.00 C ATOM 1053 C ILE A 64 -14.642 -5.232 -1.237 1.00 0.00 C ATOM 1054 O ILE A 64 -15.148 -6.254 -0.776 1.00 0.00 O ATOM 1055 CB ILE A 64 -14.580 -4.816 -3.716 1.00 0.00 C ATOM 1056 CG1 ILE A 64 -15.371 -4.276 -4.911 1.00 0.00 C ATOM 1057 CG2 ILE A 64 -14.356 -6.317 -3.856 1.00 0.00 C ATOM 1058 CD1 ILE A 64 -16.777 -4.827 -5.012 1.00 0.00 C ATOM 0 H ILE A 64 -14.776 -2.500 -2.793 1.00 0.00 H new ATOM 0 HA ILE A 64 -16.344 -4.819 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 64 -13.605 -4.329 -3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -15.421 -3.189 -4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.832 -4.512 -5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -13.842 -6.522 -4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.748 -6.673 -3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -15.317 -6.831 -3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -17.274 -4.398 -5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.736 -5.911 -5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.335 -4.568 -4.112 1.00 0.00 H new ATOM 1070 N TYR A 65 -13.522 -4.704 -0.759 1.00 0.00 N ATOM 1071 CA TYR A 65 -12.802 -5.324 0.350 1.00 0.00 C ATOM 1072 C TYR A 65 -13.677 -5.362 1.602 1.00 0.00 C ATOM 1073 O TYR A 65 -13.676 -6.341 2.348 1.00 0.00 O ATOM 1074 CB TYR A 65 -11.504 -4.560 0.637 1.00 0.00 C ATOM 1075 CG TYR A 65 -10.652 -5.181 1.727 1.00 0.00 C ATOM 1076 CD1 TYR A 65 -9.803 -6.245 1.446 1.00 0.00 C ATOM 1077 CD2 TYR A 65 -10.696 -4.702 3.032 1.00 0.00 C ATOM 1078 CE1 TYR A 65 -9.025 -6.816 2.435 1.00 0.00 C ATOM 1079 CE2 TYR A 65 -9.920 -5.268 4.024 1.00 0.00 C ATOM 1080 CZ TYR A 65 -9.086 -6.324 3.722 1.00 0.00 C ATOM 1081 OH TYR A 65 -8.309 -6.888 4.711 1.00 0.00 O ATOM 0 H TYR A 65 -13.093 -3.852 -1.119 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.552 -6.347 0.068 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.918 -4.503 -0.280 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.752 -3.537 0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.751 -6.632 0.439 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.347 -3.875 3.273 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.372 -7.644 2.201 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.966 -4.885 5.033 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.470 -6.423 5.559 1.00 0.00 H new ATOM 1091 N ASP A 66 -14.439 -4.295 1.806 1.00 0.00 N ATOM 1092 CA ASP A 66 -15.302 -4.166 2.978 1.00 0.00 C ATOM 1093 C ASP A 66 -16.409 -5.218 2.974 1.00 0.00 C ATOM 1094 O ASP A 66 -16.653 -5.880 3.984 1.00 0.00 O ATOM 1095 CB ASP A 66 -15.917 -2.764 2.998 1.00 0.00 C ATOM 1096 CG ASP A 66 -16.890 -2.541 4.144 1.00 0.00 C ATOM 1097 OD1 ASP A 66 -16.442 -2.256 5.276 1.00 0.00 O ATOM 1098 OD2 ASP A 66 -18.115 -2.609 3.905 1.00 0.00 O ATOM 0 H ASP A 66 -14.478 -3.499 1.170 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.697 -4.322 3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.117 -2.027 3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.434 -2.590 2.054 1.00 0.00 H new ATOM 1103 N ARG A 67 -17.060 -5.386 1.831 1.00 0.00 N ATOM 1104 CA ARG A 67 -18.186 -6.312 1.722 1.00 0.00 C ATOM 1105 C ARG A 67 -17.748 -7.767 1.532 1.00 0.00 C ATOM 1106 O ARG A 67 -18.459 -8.687 1.936 1.00 0.00 O ATOM 1107 CB ARG A 67 -19.083 -5.887 0.568 1.00 0.00 C ATOM 1108 CG ARG A 67 -18.377 -5.865 -0.773 1.00 0.00 C ATOM 1109 CD ARG A 67 -19.088 -4.945 -1.736 1.00 0.00 C ATOM 1110 NE ARG A 67 -20.456 -5.388 -1.988 1.00 0.00 N ATOM 1111 CZ ARG A 67 -21.366 -4.690 -2.661 1.00 0.00 C ATOM 1112 NH1 ARG A 67 -21.082 -3.486 -3.145 1.00 0.00 N ATOM 1113 NH2 ARG A 67 -22.572 -5.210 -2.849 1.00 0.00 N ATOM 0 H ARG A 67 -16.831 -4.896 0.966 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.731 -6.268 2.665 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.933 -6.567 0.510 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.482 -4.894 0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -17.346 -5.536 -0.641 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.339 -6.873 -1.186 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -19.101 -3.933 -1.332 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -18.538 -4.906 -2.676 1.00 0.00 H new ATOM 0 HE ARG A 67 -20.734 -6.298 -1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -20.155 -3.085 -3.002 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -21.791 -2.963 -3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -22.792 -6.135 -2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -23.279 -4.685 -3.363 1.00 0.00 H new ATOM 1127 N TYR A 68 -16.587 -7.984 0.930 1.00 0.00 N ATOM 1128 CA TYR A 68 -16.155 -9.341 0.604 1.00 0.00 C ATOM 1129 C TYR A 68 -15.283 -9.914 1.717 1.00 0.00 C ATOM 1130 O TYR A 68 -14.964 -11.100 1.720 1.00 0.00 O ATOM 1131 CB TYR A 68 -15.402 -9.357 -0.734 1.00 0.00 C ATOM 1132 CG TYR A 68 -15.135 -10.750 -1.269 1.00 0.00 C ATOM 1133 CD1 TYR A 68 -16.137 -11.468 -1.913 1.00 0.00 C ATOM 1134 CD2 TYR A 68 -13.889 -11.349 -1.123 1.00 0.00 C ATOM 1135 CE1 TYR A 68 -15.903 -12.743 -2.393 1.00 0.00 C ATOM 1136 CE2 TYR A 68 -13.649 -12.622 -1.603 1.00 0.00 C ATOM 1137 CZ TYR A 68 -14.659 -13.315 -2.237 1.00 0.00 C ATOM 1138 OH TYR A 68 -14.423 -14.588 -2.706 1.00 0.00 O ATOM 0 H TYR A 68 -15.933 -7.250 0.659 1.00 0.00 H new ATOM 0 HA TYR A 68 -17.041 -9.969 0.510 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.979 -8.799 -1.472 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -14.452 -8.836 -0.612 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -17.113 -11.023 -2.040 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.096 -10.810 -0.626 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -16.692 -13.289 -2.888 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.675 -13.073 -1.482 1.00 0.00 H new ATOM 0 HH TYR A 68 -13.495 -14.840 -2.516 1.00 0.00 H new ATOM 1148 N GLY A 69 -14.922 -9.065 2.669 1.00 0.00 N ATOM 1149 CA GLY A 69 -14.119 -9.496 3.799 1.00 0.00 C ATOM 1150 C GLY A 69 -14.703 -10.702 4.505 1.00 0.00 C ATOM 1151 O GLY A 69 -14.017 -11.693 4.749 1.00 0.00 O ATOM 0 H GLY A 69 -15.173 -8.076 2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.113 -9.734 3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.027 -8.674 4.509 1.00 0.00 H new ATOM 1155 N ARG A 70 -15.979 -10.600 4.829 1.00 0.00 N ATOM 1156 CA ARG A 70 -16.689 -11.660 5.540 1.00 0.00 C ATOM 1157 C ARG A 70 -16.840 -12.922 4.690 1.00 0.00 C ATOM 1158 O ARG A 70 -16.939 -14.024 5.226 1.00 0.00 O ATOM 1159 CB ARG A 70 -18.064 -11.165 5.989 1.00 0.00 C ATOM 1160 CG ARG A 70 -17.997 -9.987 6.944 1.00 0.00 C ATOM 1161 CD ARG A 70 -17.228 -10.343 8.206 1.00 0.00 C ATOM 1162 NE ARG A 70 -17.011 -9.180 9.062 1.00 0.00 N ATOM 1163 CZ ARG A 70 -16.120 -9.140 10.052 1.00 0.00 C ATOM 1164 NH1 ARG A 70 -15.384 -10.210 10.339 1.00 0.00 N ATOM 1165 NH2 ARG A 70 -15.973 -8.030 10.763 1.00 0.00 N ATOM 0 H ARG A 70 -16.554 -9.787 4.610 1.00 0.00 H new ATOM 0 HA ARG A 70 -16.092 -11.921 6.414 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -18.644 -10.879 5.111 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -18.598 -11.984 6.471 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -17.518 -9.142 6.450 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -19.007 -9.672 7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -17.776 -11.104 8.761 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -16.266 -10.777 7.934 1.00 0.00 H new ATOM 0 HE ARG A 70 -17.576 -8.348 8.892 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -15.500 -11.068 9.800 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.704 -10.172 11.098 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -16.541 -7.210 10.551 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.292 -7.997 11.521 1.00 0.00 H new ATOM 1179 N GLU A 71 -16.881 -12.760 3.373 1.00 0.00 N ATOM 1180 CA GLU A 71 -17.024 -13.897 2.467 1.00 0.00 C ATOM 1181 C GLU A 71 -15.685 -14.599 2.252 1.00 0.00 C ATOM 1182 O GLU A 71 -15.310 -15.439 3.096 1.00 0.00 O ATOM 1183 CB GLU A 71 -17.618 -13.448 1.126 1.00 0.00 C ATOM 1184 CG GLU A 71 -19.075 -13.015 1.216 1.00 0.00 C ATOM 1185 CD GLU A 71 -20.016 -14.154 1.572 1.00 0.00 C ATOM 1186 OE1 GLU A 71 -20.411 -14.916 0.663 1.00 0.00 O ATOM 1187 OE2 GLU A 71 -20.384 -14.283 2.760 1.00 0.00 O ATOM 0 H GLU A 71 -16.818 -11.855 2.908 1.00 0.00 H new ATOM 0 HA GLU A 71 -17.709 -14.609 2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -17.026 -12.621 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -17.535 -14.266 0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -19.168 -12.228 1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -19.379 -12.585 0.262 1.00 0.00 H new