USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 732 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 Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 156:sc= 0.471 USER MOD Single : A 46 ASN : amide:sc= 0.00824 K(o=0.0082,f=-3.3!) USER MOD Single : A 48 GLN : amide:sc= 0.0561 K(o=0.056,f=-1.6!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc=-0.00833 K(o=-0.0083,f=-0.9) USER MOD Single : A 55 TYR OH : rot -72:sc= -1.14! USER MOD Single : A 62 GLN : amide:sc= -0.0441 X(o=-0.044,f=-0.048) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -169:sc= 0.0227 USER MOD Single : A 74 LYS NZ :NH3+ -111:sc= -1.62! (180deg=-5.82!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.17 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0444 USER MOD Single : A 81 LYS NZ :NH3+ 154:sc= 1.24 (180deg=-0.96) USER MOD Single : A 83 THR OG1 : rot 150:sc= 0.041 USER MOD Single : A 89 THR OG1 : rot -19:sc= -0.478 USER MOD Single : A 91 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.3) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 105 LYS NZ :NH3+ 177:sc= 0.408 (180deg=0.399) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.288 F(o=-0.97,f=-0.29) USER MOD Single : A 110 THR OG1 : rot 26:sc= 0.0792 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -0.544 K(o=-0.54,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 101 N SER A 33 11.074 5.213 1.789 1.00 0.00 N ATOM 102 CA SER A 33 10.880 4.457 3.067 1.00 0.00 C ATOM 103 C SER A 33 10.082 3.170 2.830 1.00 0.00 C ATOM 104 O SER A 33 9.471 2.644 3.740 1.00 0.00 O ATOM 105 CB SER A 33 10.083 5.406 3.951 1.00 0.00 C ATOM 106 OG SER A 33 10.975 6.255 4.662 1.00 0.00 O ATOM 0 HA SER A 33 11.829 4.157 3.511 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.404 6.003 3.342 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.469 4.839 4.651 1.00 0.00 H new ATOM 0 HG SER A 33 10.462 6.867 5.230 1.00 0.00 H new ATOM 112 N TYR A 34 10.072 2.682 1.611 1.00 0.00 N ATOM 113 CA TYR A 34 9.305 1.438 1.252 1.00 0.00 C ATOM 114 C TYR A 34 7.799 1.705 1.348 1.00 0.00 C ATOM 115 O TYR A 34 7.077 1.562 0.381 1.00 0.00 O ATOM 116 CB TYR A 34 9.740 0.338 2.236 1.00 0.00 C ATOM 117 CG TYR A 34 8.845 -0.869 2.066 1.00 0.00 C ATOM 118 CD1 TYR A 34 9.064 -1.763 1.011 1.00 0.00 C ATOM 119 CD2 TYR A 34 7.784 -1.083 2.954 1.00 0.00 C ATOM 120 CE1 TYR A 34 8.221 -2.869 0.843 1.00 0.00 C ATOM 121 CE2 TYR A 34 6.946 -2.190 2.790 1.00 0.00 C ATOM 122 CZ TYR A 34 7.162 -3.083 1.733 1.00 0.00 C ATOM 123 OH TYR A 34 6.325 -4.170 1.562 1.00 0.00 O ATOM 0 H TYR A 34 10.575 3.102 0.829 1.00 0.00 H new ATOM 0 HA TYR A 34 9.512 1.127 0.228 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.779 0.063 2.055 1.00 0.00 H new ATOM 0 HB3 TYR A 34 9.682 0.707 3.260 1.00 0.00 H new ATOM 0 HD1 TYR A 34 9.883 -1.600 0.326 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.613 -0.392 3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 34 8.388 -3.556 0.027 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.131 -2.357 3.479 1.00 0.00 H new ATOM 0 HH TYR A 34 5.905 -4.397 2.418 1.00 0.00 H new ATOM 133 N ARG A 35 7.326 2.104 2.502 1.00 0.00 N ATOM 134 CA ARG A 35 5.870 2.396 2.658 1.00 0.00 C ATOM 135 C ARG A 35 5.471 3.551 1.731 1.00 0.00 C ATOM 136 O ARG A 35 4.372 3.586 1.215 1.00 0.00 O ATOM 137 CB ARG A 35 5.684 2.790 4.128 1.00 0.00 C ATOM 138 CG ARG A 35 4.203 3.086 4.396 1.00 0.00 C ATOM 139 CD ARG A 35 3.817 2.578 5.791 1.00 0.00 C ATOM 140 NE ARG A 35 2.497 1.907 5.607 1.00 0.00 N ATOM 141 CZ ARG A 35 1.391 2.541 5.896 1.00 0.00 C ATOM 142 NH1 ARG A 35 0.926 3.452 5.081 1.00 0.00 N ATOM 143 NH2 ARG A 35 0.747 2.258 7.000 1.00 0.00 N ATOM 0 H ARG A 35 7.887 2.240 3.343 1.00 0.00 H new ATOM 0 HA ARG A 35 5.247 1.541 2.396 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.028 1.985 4.777 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.289 3.667 4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.018 4.158 4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.584 2.605 3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.562 1.883 6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.746 3.399 6.504 1.00 0.00 H new ATOM 0 HE ARG A 35 2.458 0.951 5.255 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.426 3.668 4.219 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.063 3.946 5.307 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.108 1.544 7.633 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.116 2.751 7.228 1.00 0.00 H new ATOM 157 N GLU A 36 6.364 4.487 1.505 1.00 0.00 N ATOM 158 CA GLU A 36 6.039 5.627 0.598 1.00 0.00 C ATOM 159 C GLU A 36 5.880 5.117 -0.835 1.00 0.00 C ATOM 160 O GLU A 36 4.990 5.529 -1.554 1.00 0.00 O ATOM 161 CB GLU A 36 7.226 6.592 0.707 1.00 0.00 C ATOM 162 CG GLU A 36 6.867 7.935 0.059 1.00 0.00 C ATOM 163 CD GLU A 36 5.524 8.431 0.604 1.00 0.00 C ATOM 164 OE1 GLU A 36 5.494 8.869 1.741 1.00 0.00 O ATOM 165 OE2 GLU A 36 4.549 8.357 -0.126 1.00 0.00 O ATOM 0 H GLU A 36 7.300 4.508 1.910 1.00 0.00 H new ATOM 0 HA GLU A 36 5.105 6.119 0.870 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.489 6.742 1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.100 6.164 0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.647 8.668 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.812 7.824 -1.024 1.00 0.00 H new ATOM 172 N ALA A 37 6.729 4.205 -1.244 1.00 0.00 N ATOM 173 CA ALA A 37 6.620 3.644 -2.622 1.00 0.00 C ATOM 174 C ALA A 37 5.311 2.859 -2.754 1.00 0.00 C ATOM 175 O ALA A 37 4.660 2.895 -3.778 1.00 0.00 O ATOM 176 CB ALA A 37 7.826 2.714 -2.780 1.00 0.00 C ATOM 0 H ALA A 37 7.491 3.827 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 37 6.613 4.420 -3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.811 2.264 -3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.745 3.286 -2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.781 1.929 -2.025 1.00 0.00 H new ATOM 182 N VAL A 38 4.917 2.162 -1.712 1.00 0.00 N ATOM 183 CA VAL A 38 3.641 1.383 -1.764 1.00 0.00 C ATOM 184 C VAL A 38 2.454 2.339 -1.893 1.00 0.00 C ATOM 185 O VAL A 38 1.553 2.113 -2.675 1.00 0.00 O ATOM 186 CB VAL A 38 3.563 0.615 -0.438 1.00 0.00 C ATOM 187 CG1 VAL A 38 2.311 -0.265 -0.436 1.00 0.00 C ATOM 188 CG2 VAL A 38 4.802 -0.270 -0.270 1.00 0.00 C ATOM 0 H VAL A 38 5.425 2.100 -0.830 1.00 0.00 H new ATOM 0 HA VAL A 38 3.614 0.706 -2.618 1.00 0.00 H new ATOM 0 HB VAL A 38 3.518 1.328 0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.252 -0.812 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.426 0.361 -0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.362 -0.972 -1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.737 -0.811 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.855 -0.982 -1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.697 0.353 -0.271 1.00 0.00 H new ATOM 198 N LEU A 39 2.451 3.411 -1.133 1.00 0.00 N ATOM 199 CA LEU A 39 1.323 4.389 -1.218 1.00 0.00 C ATOM 200 C LEU A 39 1.175 4.885 -2.659 1.00 0.00 C ATOM 201 O LEU A 39 0.080 4.967 -3.186 1.00 0.00 O ATOM 202 CB LEU A 39 1.712 5.543 -0.287 1.00 0.00 C ATOM 203 CG LEU A 39 1.590 5.097 1.174 1.00 0.00 C ATOM 204 CD1 LEU A 39 2.470 5.987 2.055 1.00 0.00 C ATOM 205 CD2 LEU A 39 0.131 5.213 1.625 1.00 0.00 C ATOM 0 H LEU A 39 3.180 3.648 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 39 0.370 3.947 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.733 5.861 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.067 6.402 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 39 1.916 4.061 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.383 5.670 3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.509 5.902 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.146 7.024 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.045 4.896 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.197 6.248 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.495 4.578 0.999 1.00 0.00 H new ATOM 217 N ARG A 40 2.272 5.199 -3.304 1.00 0.00 N ATOM 218 CA ARG A 40 2.199 5.671 -4.720 1.00 0.00 C ATOM 219 C ARG A 40 1.920 4.485 -5.652 1.00 0.00 C ATOM 220 O ARG A 40 1.178 4.603 -6.609 1.00 0.00 O ATOM 221 CB ARG A 40 3.573 6.284 -5.019 1.00 0.00 C ATOM 222 CG ARG A 40 3.441 7.803 -5.160 1.00 0.00 C ATOM 223 CD ARG A 40 3.934 8.235 -6.543 1.00 0.00 C ATOM 224 NE ARG A 40 4.132 9.711 -6.442 1.00 0.00 N ATOM 225 CZ ARG A 40 4.047 10.456 -7.511 1.00 0.00 C ATOM 226 NH1 ARG A 40 2.883 10.903 -7.903 1.00 0.00 N ATOM 227 NH2 ARG A 40 5.127 10.750 -8.188 1.00 0.00 N ATOM 0 H ARG A 40 3.212 5.149 -2.911 1.00 0.00 H new ATOM 0 HA ARG A 40 1.398 6.395 -4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.272 6.043 -4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.980 5.858 -5.936 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.402 8.102 -5.023 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.021 8.302 -4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.863 7.730 -6.806 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.207 7.987 -7.316 1.00 0.00 H new ATOM 0 HE ARG A 40 4.334 10.138 -5.538 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.043 10.670 -7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.815 11.485 -8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.033 10.397 -7.881 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.063 11.332 -9.023 1.00 0.00 H new ATOM 241 N ALA A 41 2.507 3.345 -5.373 1.00 0.00 N ATOM 242 CA ALA A 41 2.276 2.143 -6.230 1.00 0.00 C ATOM 243 C ALA A 41 0.822 1.676 -6.108 1.00 0.00 C ATOM 244 O ALA A 41 0.230 1.225 -7.068 1.00 0.00 O ATOM 245 CB ALA A 41 3.228 1.071 -5.695 1.00 0.00 C ATOM 0 H ALA A 41 3.138 3.197 -4.585 1.00 0.00 H new ATOM 0 HA ALA A 41 2.457 2.354 -7.284 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.113 0.158 -6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.256 1.425 -5.774 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.995 0.866 -4.650 1.00 0.00 H new ATOM 251 N VAL A 42 0.241 1.785 -4.933 1.00 0.00 N ATOM 252 CA VAL A 42 -1.179 1.352 -4.751 1.00 0.00 C ATOM 253 C VAL A 42 -2.099 2.220 -5.623 1.00 0.00 C ATOM 254 O VAL A 42 -2.932 1.709 -6.350 1.00 0.00 O ATOM 255 CB VAL A 42 -1.467 1.541 -3.251 1.00 0.00 C ATOM 256 CG1 VAL A 42 -2.975 1.670 -3.008 1.00 0.00 C ATOM 257 CG2 VAL A 42 -0.940 0.330 -2.479 1.00 0.00 C ATOM 0 H VAL A 42 0.691 2.155 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.352 0.319 -5.053 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.972 2.450 -2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.162 1.803 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.359 2.532 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.478 0.767 -3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.142 0.460 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.437 -0.573 -2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.135 0.238 -2.635 1.00 0.00 H new ATOM 267 N ASP A 43 -1.941 3.522 -5.574 1.00 0.00 N ATOM 268 CA ASP A 43 -2.795 4.408 -6.425 1.00 0.00 C ATOM 269 C ASP A 43 -2.465 4.158 -7.898 1.00 0.00 C ATOM 270 O ASP A 43 -3.342 4.086 -8.738 1.00 0.00 O ATOM 271 CB ASP A 43 -2.427 5.838 -6.022 1.00 0.00 C ATOM 272 CG ASP A 43 -3.348 6.831 -6.736 1.00 0.00 C ATOM 273 OD1 ASP A 43 -4.529 6.846 -6.428 1.00 0.00 O ATOM 274 OD2 ASP A 43 -2.855 7.564 -7.576 1.00 0.00 O ATOM 0 H ASP A 43 -1.262 4.006 -4.986 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.861 4.223 -6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.517 5.956 -4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.388 6.042 -6.279 1.00 0.00 H new ATOM 279 N ARG A 44 -1.200 4.002 -8.206 1.00 0.00 N ATOM 280 CA ARG A 44 -0.792 3.729 -9.618 1.00 0.00 C ATOM 281 C ARG A 44 -1.380 2.387 -10.063 1.00 0.00 C ATOM 282 O ARG A 44 -1.857 2.250 -11.172 1.00 0.00 O ATOM 283 CB ARG A 44 0.740 3.665 -9.598 1.00 0.00 C ATOM 284 CG ARG A 44 1.300 4.239 -10.903 1.00 0.00 C ATOM 285 CD ARG A 44 2.312 5.345 -10.583 1.00 0.00 C ATOM 286 NE ARG A 44 1.968 6.468 -11.503 1.00 0.00 N ATOM 287 CZ ARG A 44 1.975 7.700 -11.065 1.00 0.00 C ATOM 288 NH1 ARG A 44 0.987 8.135 -10.326 1.00 0.00 N ATOM 289 NH2 ARG A 44 2.970 8.495 -11.366 1.00 0.00 N ATOM 0 H ARG A 44 -0.431 4.052 -7.538 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.147 4.492 -10.310 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.126 4.227 -8.748 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.068 2.633 -9.473 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.779 3.450 -11.484 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.490 4.638 -11.514 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.241 5.654 -9.540 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.334 5.002 -10.745 1.00 0.00 H new ATOM 0 HE ARG A 44 1.727 6.274 -12.475 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.213 7.513 -10.092 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.991 9.096 -9.983 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.739 8.153 -11.942 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.976 9.456 -11.025 1.00 0.00 H new ATOM 303 N LEU A 45 -1.362 1.403 -9.194 1.00 0.00 N ATOM 304 CA LEU A 45 -1.932 0.070 -9.551 1.00 0.00 C ATOM 305 C LEU A 45 -3.403 0.225 -9.941 1.00 0.00 C ATOM 306 O LEU A 45 -3.858 -0.353 -10.909 1.00 0.00 O ATOM 307 CB LEU A 45 -1.795 -0.786 -8.288 1.00 0.00 C ATOM 308 CG LEU A 45 -2.279 -2.208 -8.578 1.00 0.00 C ATOM 309 CD1 LEU A 45 -1.187 -2.976 -9.326 1.00 0.00 C ATOM 310 CD2 LEU A 45 -2.595 -2.919 -7.258 1.00 0.00 C ATOM 0 H LEU A 45 -0.976 1.469 -8.252 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.419 -0.386 -10.398 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.756 -0.804 -7.960 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.378 -0.351 -7.476 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.179 -2.168 -9.192 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.531 -3.989 -9.533 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.964 -2.470 -10.265 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.286 -3.017 -8.713 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.940 -3.932 -7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.696 -2.960 -6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.374 -2.372 -6.727 1.00 0.00 H new ATOM 322 N ASN A 46 -4.144 1.015 -9.202 1.00 0.00 N ATOM 323 CA ASN A 46 -5.587 1.227 -9.540 1.00 0.00 C ATOM 324 C ASN A 46 -5.702 1.810 -10.952 1.00 0.00 C ATOM 325 O ASN A 46 -6.481 1.345 -11.762 1.00 0.00 O ATOM 326 CB ASN A 46 -6.112 2.226 -8.505 1.00 0.00 C ATOM 327 CG ASN A 46 -6.608 1.472 -7.272 1.00 0.00 C ATOM 328 OD1 ASN A 46 -7.608 0.785 -7.328 1.00 0.00 O ATOM 329 ND2 ASN A 46 -5.947 1.574 -6.149 1.00 0.00 N ATOM 0 H ASN A 46 -3.813 1.521 -8.381 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.156 0.298 -9.519 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.323 2.923 -8.224 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.922 2.817 -8.933 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.271 1.077 -5.320 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.107 2.151 -6.102 1.00 0.00 H new ATOM 336 N GLU A 47 -4.918 2.817 -11.249 1.00 0.00 N ATOM 337 CA GLU A 47 -4.957 3.434 -12.610 1.00 0.00 C ATOM 338 C GLU A 47 -4.427 2.442 -13.657 1.00 0.00 C ATOM 339 O GLU A 47 -4.936 2.366 -14.760 1.00 0.00 O ATOM 340 CB GLU A 47 -4.042 4.662 -12.518 1.00 0.00 C ATOM 341 CG GLU A 47 -4.557 5.762 -13.452 1.00 0.00 C ATOM 342 CD GLU A 47 -5.719 6.504 -12.784 1.00 0.00 C ATOM 343 OE1 GLU A 47 -6.851 6.080 -12.968 1.00 0.00 O ATOM 344 OE2 GLU A 47 -5.460 7.485 -12.103 1.00 0.00 O ATOM 0 H GLU A 47 -4.250 3.239 -10.604 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.969 3.704 -12.912 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.011 5.028 -11.492 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.022 4.389 -12.790 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.753 6.460 -13.685 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.885 5.327 -14.396 1.00 0.00 H new ATOM 351 N GLN A 48 -3.414 1.680 -13.314 1.00 0.00 N ATOM 352 CA GLN A 48 -2.848 0.688 -14.283 1.00 0.00 C ATOM 353 C GLN A 48 -3.830 -0.468 -14.518 1.00 0.00 C ATOM 354 O GLN A 48 -3.887 -1.025 -15.598 1.00 0.00 O ATOM 355 CB GLN A 48 -1.560 0.173 -13.629 1.00 0.00 C ATOM 356 CG GLN A 48 -0.583 -0.288 -14.715 1.00 0.00 C ATOM 357 CD GLN A 48 0.213 0.914 -15.233 1.00 0.00 C ATOM 358 OE1 GLN A 48 -0.322 1.760 -15.924 1.00 0.00 O ATOM 359 NE2 GLN A 48 1.476 1.026 -14.931 1.00 0.00 N ATOM 0 H GLN A 48 -2.955 1.703 -12.403 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.660 1.140 -15.257 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.106 0.960 -13.027 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.787 -0.653 -12.955 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.095 -1.040 -14.313 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.129 -0.756 -15.534 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.927 0.318 -14.352 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.014 1.822 -15.274 1.00 0.00 H new ATOM 368 N SER A 49 -4.604 -0.833 -13.522 1.00 0.00 N ATOM 369 CA SER A 49 -5.582 -1.950 -13.698 1.00 0.00 C ATOM 370 C SER A 49 -6.872 -1.429 -14.342 1.00 0.00 C ATOM 371 O SER A 49 -7.044 -0.239 -14.540 1.00 0.00 O ATOM 372 CB SER A 49 -5.860 -2.473 -12.285 1.00 0.00 C ATOM 373 OG SER A 49 -6.590 -3.693 -12.367 1.00 0.00 O ATOM 0 H SER A 49 -4.599 -0.405 -12.596 1.00 0.00 H new ATOM 0 HA SER A 49 -5.195 -2.733 -14.349 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.922 -2.633 -11.753 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.426 -1.735 -11.717 1.00 0.00 H new ATOM 0 HG SER A 49 -6.767 -4.030 -11.464 1.00 0.00 H new ATOM 379 N SER A 50 -7.780 -2.313 -14.666 1.00 0.00 N ATOM 380 CA SER A 50 -9.065 -1.883 -15.296 1.00 0.00 C ATOM 381 C SER A 50 -10.229 -2.043 -14.305 1.00 0.00 C ATOM 382 O SER A 50 -11.360 -2.265 -14.698 1.00 0.00 O ATOM 383 CB SER A 50 -9.249 -2.813 -16.500 1.00 0.00 C ATOM 384 OG SER A 50 -9.410 -4.154 -16.047 1.00 0.00 O ATOM 0 H SER A 50 -7.687 -3.318 -14.521 1.00 0.00 H new ATOM 0 HA SER A 50 -9.047 -0.834 -15.591 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.120 -2.507 -17.079 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.386 -2.743 -17.162 1.00 0.00 H new ATOM 0 HG SER A 50 -9.529 -4.748 -16.818 1.00 0.00 H new ATOM 390 N GLU A 51 -9.963 -1.930 -13.026 1.00 0.00 N ATOM 391 CA GLU A 51 -11.054 -2.078 -12.016 1.00 0.00 C ATOM 392 C GLU A 51 -12.027 -0.893 -12.096 1.00 0.00 C ATOM 393 O GLU A 51 -11.750 0.113 -12.725 1.00 0.00 O ATOM 394 CB GLU A 51 -10.345 -2.109 -10.658 1.00 0.00 C ATOM 395 CG GLU A 51 -10.921 -3.244 -9.803 1.00 0.00 C ATOM 396 CD GLU A 51 -9.785 -4.055 -9.166 1.00 0.00 C ATOM 397 OE1 GLU A 51 -8.956 -3.459 -8.496 1.00 0.00 O ATOM 398 OE2 GLU A 51 -9.772 -5.262 -9.346 1.00 0.00 O ATOM 0 H GLU A 51 -9.038 -1.742 -12.640 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.646 -2.978 -12.183 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.274 -2.254 -10.799 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.473 -1.154 -10.148 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.565 -2.833 -9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.541 -3.895 -10.419 1.00 0.00 H new ATOM 405 N ALA A 52 -13.167 -1.011 -11.465 1.00 0.00 N ATOM 406 CA ALA A 52 -14.172 0.096 -11.500 1.00 0.00 C ATOM 407 C ALA A 52 -14.138 0.903 -10.196 1.00 0.00 C ATOM 408 O ALA A 52 -14.278 2.112 -10.204 1.00 0.00 O ATOM 409 CB ALA A 52 -15.525 -0.599 -11.665 1.00 0.00 C ATOM 0 H ALA A 52 -13.447 -1.830 -10.925 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.972 0.801 -12.307 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.317 0.149 -11.699 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.528 -1.173 -12.591 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.695 -1.269 -10.822 1.00 0.00 H new ATOM 415 N ASN A 53 -13.954 0.244 -9.079 1.00 0.00 N ATOM 416 CA ASN A 53 -13.912 0.969 -7.773 1.00 0.00 C ATOM 417 C ASN A 53 -12.461 1.176 -7.327 1.00 0.00 C ATOM 418 O ASN A 53 -11.561 0.483 -7.767 1.00 0.00 O ATOM 419 CB ASN A 53 -14.649 0.060 -6.785 1.00 0.00 C ATOM 420 CG ASN A 53 -15.747 0.856 -6.075 1.00 0.00 C ATOM 421 OD1 ASN A 53 -15.514 1.954 -5.609 1.00 0.00 O ATOM 422 ND2 ASN A 53 -16.943 0.344 -5.971 1.00 0.00 N ATOM 0 H ASN A 53 -13.831 -0.767 -9.016 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.370 1.956 -7.838 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.084 -0.789 -7.312 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.948 -0.344 -6.054 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.682 0.865 -5.499 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.139 -0.577 -6.362 1.00 0.00 H new ATOM 429 N LEU A 54 -12.227 2.125 -6.453 1.00 0.00 N ATOM 430 CA LEU A 54 -10.833 2.375 -5.972 1.00 0.00 C ATOM 431 C LEU A 54 -10.445 1.335 -4.916 1.00 0.00 C ATOM 432 O LEU A 54 -11.294 0.686 -4.331 1.00 0.00 O ATOM 433 CB LEU A 54 -10.854 3.779 -5.356 1.00 0.00 C ATOM 434 CG LEU A 54 -10.252 4.788 -6.340 1.00 0.00 C ATOM 435 CD1 LEU A 54 -10.409 6.202 -5.779 1.00 0.00 C ATOM 436 CD2 LEU A 54 -8.764 4.485 -6.543 1.00 0.00 C ATOM 0 H LEU A 54 -12.940 2.736 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.105 2.302 -6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.877 4.063 -5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.289 3.785 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.771 4.713 -7.296 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.981 6.920 -6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.467 6.421 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.891 6.274 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.339 5.204 -7.243 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.244 4.558 -5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.649 3.478 -6.943 1.00 0.00 H new ATOM 448 N TYR A 55 -9.169 1.175 -4.664 1.00 0.00 N ATOM 449 CA TYR A 55 -8.726 0.180 -3.645 1.00 0.00 C ATOM 450 C TYR A 55 -7.644 0.783 -2.748 1.00 0.00 C ATOM 451 O TYR A 55 -6.467 0.769 -3.067 1.00 0.00 O ATOM 452 CB TYR A 55 -8.191 -1.012 -4.444 1.00 0.00 C ATOM 453 CG TYR A 55 -9.346 -1.925 -4.779 1.00 0.00 C ATOM 454 CD1 TYR A 55 -10.089 -1.710 -5.945 1.00 0.00 C ATOM 455 CD2 TYR A 55 -9.682 -2.975 -3.916 1.00 0.00 C ATOM 456 CE1 TYR A 55 -11.167 -2.545 -6.248 1.00 0.00 C ATOM 457 CE2 TYR A 55 -10.763 -3.809 -4.220 1.00 0.00 C ATOM 458 CZ TYR A 55 -11.505 -3.593 -5.388 1.00 0.00 C ATOM 459 OH TYR A 55 -12.573 -4.408 -5.690 1.00 0.00 O ATOM 0 H TYR A 55 -8.417 1.691 -5.121 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.538 -0.123 -2.984 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.704 -0.668 -5.356 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.440 -1.549 -3.865 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.829 -0.899 -6.610 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.107 -3.141 -3.017 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.740 -2.380 -7.148 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -11.025 -4.618 -3.555 1.00 0.00 H new ATOM 0 HH TYR A 55 -13.409 -3.915 -5.556 1.00 0.00 H new ATOM 469 N ARG A 56 -8.047 1.312 -1.621 1.00 0.00 N ATOM 470 CA ARG A 56 -7.071 1.922 -0.667 1.00 0.00 C ATOM 471 C ARG A 56 -6.293 0.814 0.054 1.00 0.00 C ATOM 472 O ARG A 56 -6.773 -0.294 0.205 1.00 0.00 O ATOM 473 CB ARG A 56 -7.937 2.723 0.318 1.00 0.00 C ATOM 474 CG ARG A 56 -7.152 3.027 1.599 1.00 0.00 C ATOM 475 CD ARG A 56 -8.111 3.554 2.670 1.00 0.00 C ATOM 476 NE ARG A 56 -8.246 5.008 2.382 1.00 0.00 N ATOM 477 CZ ARG A 56 -7.698 5.888 3.177 1.00 0.00 C ATOM 478 NH1 ARG A 56 -6.415 5.826 3.431 1.00 0.00 N ATOM 479 NH2 ARG A 56 -8.431 6.825 3.715 1.00 0.00 N ATOM 0 H ARG A 56 -9.020 1.348 -1.318 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.333 2.556 -1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.260 3.654 -0.147 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.837 2.159 0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.652 2.126 1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.375 3.764 1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.076 3.050 2.619 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.716 3.385 3.672 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.768 5.318 1.562 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.846 5.092 3.009 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.984 6.512 4.051 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.430 6.869 3.514 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.005 7.513 4.336 1.00 0.00 H new ATOM 493 N LEU A 57 -5.096 1.109 0.501 1.00 0.00 N ATOM 494 CA LEU A 57 -4.283 0.076 1.212 1.00 0.00 C ATOM 495 C LEU A 57 -4.795 -0.128 2.643 1.00 0.00 C ATOM 496 O LEU A 57 -4.918 0.808 3.415 1.00 0.00 O ATOM 497 CB LEU A 57 -2.851 0.621 1.221 1.00 0.00 C ATOM 498 CG LEU A 57 -1.905 -0.422 1.827 1.00 0.00 C ATOM 499 CD1 LEU A 57 -0.593 -0.444 1.041 1.00 0.00 C ATOM 500 CD2 LEU A 57 -1.612 -0.062 3.286 1.00 0.00 C ATOM 0 H LEU A 57 -4.648 2.020 0.404 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.343 -0.895 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.538 0.864 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.807 1.545 1.798 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.376 -1.404 1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.078 -1.186 1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.796 -0.701 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.125 0.539 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.939 -0.804 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.144 0.921 3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.544 -0.046 3.851 1.00 0.00 H new ATOM 512 N LEU A 58 -5.078 -1.358 2.991 1.00 0.00 N ATOM 513 CA LEU A 58 -5.570 -1.680 4.364 1.00 0.00 C ATOM 514 C LEU A 58 -4.378 -1.893 5.306 1.00 0.00 C ATOM 515 O LEU A 58 -4.386 -1.449 6.437 1.00 0.00 O ATOM 516 CB LEU A 58 -6.374 -2.978 4.192 1.00 0.00 C ATOM 517 CG LEU A 58 -6.800 -3.525 5.559 1.00 0.00 C ATOM 518 CD1 LEU A 58 -8.030 -2.764 6.054 1.00 0.00 C ATOM 519 CD2 LEU A 58 -7.146 -5.010 5.426 1.00 0.00 C ATOM 0 H LEU A 58 -4.987 -2.164 2.372 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.175 -0.883 4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.254 -2.790 3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.772 -3.720 3.667 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.983 -3.400 6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.332 -3.154 7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.790 -1.705 6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.846 -2.890 5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.449 -5.401 6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.963 -5.131 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.272 -5.557 5.071 1.00 0.00 H new ATOM 531 N GLU A 59 -3.350 -2.564 4.840 1.00 0.00 N ATOM 532 CA GLU A 59 -2.151 -2.802 5.696 1.00 0.00 C ATOM 533 C GLU A 59 -0.929 -3.117 4.823 1.00 0.00 C ATOM 534 O GLU A 59 -1.049 -3.646 3.733 1.00 0.00 O ATOM 535 CB GLU A 59 -2.507 -4.002 6.579 1.00 0.00 C ATOM 536 CG GLU A 59 -1.770 -3.882 7.917 1.00 0.00 C ATOM 537 CD GLU A 59 -2.387 -4.844 8.937 1.00 0.00 C ATOM 538 OE1 GLU A 59 -1.957 -5.985 8.978 1.00 0.00 O ATOM 539 OE2 GLU A 59 -3.274 -4.422 9.661 1.00 0.00 O ATOM 0 H GLU A 59 -3.293 -2.957 3.900 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.898 -1.926 6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.584 -4.039 6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.230 -4.930 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.713 -4.110 7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.831 -2.858 8.286 1.00 0.00 H new ATOM 546 N LEU A 60 0.244 -2.793 5.304 1.00 0.00 N ATOM 547 CA LEU A 60 1.490 -3.061 4.527 1.00 0.00 C ATOM 548 C LEU A 60 2.269 -4.205 5.182 1.00 0.00 C ATOM 549 O LEU A 60 2.244 -4.377 6.389 1.00 0.00 O ATOM 550 CB LEU A 60 2.279 -1.748 4.592 1.00 0.00 C ATOM 551 CG LEU A 60 3.580 -1.866 3.789 1.00 0.00 C ATOM 552 CD1 LEU A 60 3.257 -1.994 2.299 1.00 0.00 C ATOM 553 CD2 LEU A 60 4.428 -0.611 4.015 1.00 0.00 C ATOM 0 H LEU A 60 0.392 -2.350 6.211 1.00 0.00 H new ATOM 0 HA LEU A 60 1.294 -3.361 3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.673 -0.932 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.506 -1.503 5.630 1.00 0.00 H new ATOM 0 HG LEU A 60 4.129 -2.748 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.184 -2.078 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.649 -2.883 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.708 -1.112 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.354 -0.690 3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.873 0.267 3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.661 -0.515 5.076 1.00 0.00 H new ATOM 565 N ASP A 61 2.948 -4.991 4.393 1.00 0.00 N ATOM 566 CA ASP A 61 3.725 -6.140 4.951 1.00 0.00 C ATOM 567 C ASP A 61 5.220 -5.801 5.030 1.00 0.00 C ATOM 568 O ASP A 61 5.684 -4.850 4.426 1.00 0.00 O ATOM 569 CB ASP A 61 3.484 -7.286 3.963 1.00 0.00 C ATOM 570 CG ASP A 61 4.101 -8.580 4.501 1.00 0.00 C ATOM 571 OD1 ASP A 61 3.744 -8.977 5.600 1.00 0.00 O ATOM 572 OD2 ASP A 61 4.923 -9.153 3.803 1.00 0.00 O ATOM 0 H ASP A 61 3.000 -4.888 3.380 1.00 0.00 H new ATOM 0 HA ASP A 61 3.414 -6.393 5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.414 -7.422 3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.921 -7.040 2.995 1.00 0.00 H new ATOM 577 N GLN A 62 5.974 -6.584 5.767 1.00 0.00 N ATOM 578 CA GLN A 62 7.443 -6.336 5.890 1.00 0.00 C ATOM 579 C GLN A 62 8.217 -7.488 5.221 1.00 0.00 C ATOM 580 O GLN A 62 8.652 -8.413 5.880 1.00 0.00 O ATOM 581 CB GLN A 62 7.716 -6.288 7.398 1.00 0.00 C ATOM 582 CG GLN A 62 8.912 -5.371 7.675 1.00 0.00 C ATOM 583 CD GLN A 62 10.213 -6.169 7.554 1.00 0.00 C ATOM 584 OE1 GLN A 62 10.871 -6.126 6.534 1.00 0.00 O ATOM 585 NE2 GLN A 62 10.614 -6.900 8.558 1.00 0.00 N ATOM 0 H GLN A 62 5.630 -7.389 6.291 1.00 0.00 H new ATOM 0 HA GLN A 62 7.759 -5.414 5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.835 -5.923 7.926 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.919 -7.291 7.773 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.917 -4.540 6.969 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.829 -4.941 8.673 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.062 -6.937 9.415 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.480 -7.435 8.486 1.00 0.00 H new ATOM 594 N PRO A 63 8.343 -7.390 3.921 1.00 0.00 N ATOM 595 CA PRO A 63 9.048 -8.433 3.128 1.00 0.00 C ATOM 596 C PRO A 63 10.575 -8.303 3.265 1.00 0.00 C ATOM 597 O PRO A 63 11.066 -7.379 3.885 1.00 0.00 O ATOM 598 CB PRO A 63 8.618 -8.131 1.697 1.00 0.00 C ATOM 599 CG PRO A 63 8.270 -6.676 1.687 1.00 0.00 C ATOM 600 CD PRO A 63 7.840 -6.304 3.076 1.00 0.00 C ATOM 0 HA PRO A 63 8.805 -9.444 3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.420 -8.348 0.991 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.763 -8.742 1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.128 -6.079 1.379 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.471 -6.478 0.973 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.257 -5.343 3.376 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.756 -6.217 3.146 1.00 0.00 H new ATOM 608 N PRO A 64 11.276 -9.237 2.659 1.00 0.00 N ATOM 609 CA PRO A 64 12.763 -9.224 2.693 1.00 0.00 C ATOM 610 C PRO A 64 13.302 -8.063 1.848 1.00 0.00 C ATOM 611 O PRO A 64 12.703 -7.680 0.861 1.00 0.00 O ATOM 612 CB PRO A 64 13.149 -10.571 2.084 1.00 0.00 C ATOM 613 CG PRO A 64 11.983 -10.958 1.235 1.00 0.00 C ATOM 614 CD PRO A 64 10.759 -10.381 1.892 1.00 0.00 C ATOM 0 HA PRO A 64 13.171 -9.087 3.695 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.060 -10.490 1.491 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.338 -11.315 2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.097 -10.572 0.222 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.905 -12.042 1.156 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.020 -10.067 1.155 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.272 -11.110 2.540 1.00 0.00 H new ATOM 622 N LYS A 65 14.424 -7.499 2.233 1.00 0.00 N ATOM 623 CA LYS A 65 15.011 -6.354 1.461 1.00 0.00 C ATOM 624 C LYS A 65 13.973 -5.231 1.320 1.00 0.00 C ATOM 625 O LYS A 65 13.528 -4.913 0.232 1.00 0.00 O ATOM 626 CB LYS A 65 15.391 -6.920 0.080 1.00 0.00 C ATOM 627 CG LYS A 65 16.049 -8.301 0.219 1.00 0.00 C ATOM 628 CD LYS A 65 17.432 -8.154 0.855 1.00 0.00 C ATOM 629 CE LYS A 65 17.983 -9.536 1.214 1.00 0.00 C ATOM 630 NZ LYS A 65 19.445 -9.331 1.419 1.00 0.00 N ATOM 0 H LYS A 65 14.961 -7.784 3.052 1.00 0.00 H new ATOM 0 HA LYS A 65 15.881 -5.931 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.501 -6.998 -0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.074 -6.236 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.424 -8.952 0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.137 -8.772 -0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 65 18.109 -7.650 0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.368 -7.534 1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.510 -9.927 2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.794 -10.255 0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 19.891 -10.237 1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 19.870 -8.965 0.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 19.595 -8.648 2.188 1.00 0.00 H new ATOM 644 N ALA A 66 13.579 -4.638 2.417 1.00 0.00 N ATOM 645 CA ALA A 66 12.560 -3.545 2.358 1.00 0.00 C ATOM 646 C ALA A 66 13.222 -2.169 2.491 1.00 0.00 C ATOM 647 O ALA A 66 12.877 -1.243 1.784 1.00 0.00 O ATOM 648 CB ALA A 66 11.620 -3.812 3.536 1.00 0.00 C ATOM 0 H ALA A 66 13.918 -4.863 3.352 1.00 0.00 H new ATOM 0 HA ALA A 66 12.030 -3.537 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.842 -3.049 3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.162 -4.794 3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.186 -3.783 4.467 1.00 0.00 H new ATOM 654 N ASP A 67 14.164 -2.024 3.386 1.00 0.00 N ATOM 655 CA ASP A 67 14.838 -0.700 3.553 1.00 0.00 C ATOM 656 C ASP A 67 16.362 -0.863 3.619 1.00 0.00 C ATOM 657 O ASP A 67 17.056 -0.053 4.203 1.00 0.00 O ATOM 658 CB ASP A 67 14.286 -0.144 4.869 1.00 0.00 C ATOM 659 CG ASP A 67 12.922 0.509 4.620 1.00 0.00 C ATOM 660 OD1 ASP A 67 11.944 -0.218 4.540 1.00 0.00 O ATOM 661 OD2 ASP A 67 12.878 1.724 4.514 1.00 0.00 O ATOM 0 H ASP A 67 14.496 -2.762 4.007 1.00 0.00 H new ATOM 0 HA ASP A 67 14.645 -0.032 2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.188 -0.945 5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.979 0.586 5.286 1.00 0.00 H new ATOM 666 N GLU A 68 16.887 -1.898 3.013 1.00 0.00 N ATOM 667 CA GLU A 68 18.368 -2.113 3.028 1.00 0.00 C ATOM 668 C GLU A 68 18.888 -2.522 1.640 1.00 0.00 C ATOM 669 O GLU A 68 20.044 -2.868 1.486 1.00 0.00 O ATOM 670 CB GLU A 68 18.596 -3.244 4.037 1.00 0.00 C ATOM 671 CG GLU A 68 18.462 -2.705 5.464 1.00 0.00 C ATOM 672 CD GLU A 68 19.786 -2.073 5.902 1.00 0.00 C ATOM 673 OE1 GLU A 68 20.002 -0.915 5.584 1.00 0.00 O ATOM 674 OE2 GLU A 68 20.560 -2.758 6.551 1.00 0.00 O ATOM 0 H GLU A 68 16.354 -2.605 2.507 1.00 0.00 H new ATOM 0 HA GLU A 68 18.901 -1.201 3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.873 -4.042 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.586 -3.676 3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.662 -1.966 5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.190 -3.512 6.144 1.00 0.00 H new ATOM 681 N ASP A 69 18.051 -2.485 0.632 1.00 0.00 N ATOM 682 CA ASP A 69 18.497 -2.875 -0.739 1.00 0.00 C ATOM 683 C ASP A 69 17.886 -1.924 -1.779 1.00 0.00 C ATOM 684 O ASP A 69 16.867 -2.223 -2.370 1.00 0.00 O ATOM 685 CB ASP A 69 17.974 -4.303 -0.928 1.00 0.00 C ATOM 686 CG ASP A 69 18.913 -5.298 -0.239 1.00 0.00 C ATOM 687 OD1 ASP A 69 18.767 -5.492 0.958 1.00 0.00 O ATOM 688 OD2 ASP A 69 19.760 -5.852 -0.920 1.00 0.00 O ATOM 0 H ASP A 69 17.074 -2.200 0.702 1.00 0.00 H new ATOM 0 HA ASP A 69 19.579 -2.821 -0.862 1.00 0.00 H new ATOM 0 HB2 ASP A 69 16.970 -4.390 -0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.901 -4.535 -1.990 1.00 0.00 H new ATOM 693 N PRO A 70 18.531 -0.794 -1.951 1.00 0.00 N ATOM 694 CA PRO A 70 18.047 0.233 -2.914 1.00 0.00 C ATOM 695 C PRO A 70 18.312 -0.185 -4.372 1.00 0.00 C ATOM 696 O PRO A 70 17.397 -0.260 -5.172 1.00 0.00 O ATOM 697 CB PRO A 70 18.853 1.478 -2.543 1.00 0.00 C ATOM 698 CG PRO A 70 20.096 0.962 -1.886 1.00 0.00 C ATOM 699 CD PRO A 70 19.759 -0.371 -1.267 1.00 0.00 C ATOM 0 HA PRO A 70 16.970 0.388 -2.854 1.00 0.00 H new ATOM 0 HB2 PRO A 70 19.092 2.070 -3.427 1.00 0.00 H new ATOM 0 HB3 PRO A 70 18.291 2.124 -1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 70 20.899 0.855 -2.615 1.00 0.00 H new ATOM 0 HG3 PRO A 70 20.447 1.660 -1.126 1.00 0.00 H new ATOM 0 HD2 PRO A 70 20.564 -1.092 -1.414 1.00 0.00 H new ATOM 0 HD3 PRO A 70 19.604 -0.281 -0.192 1.00 0.00 H new ATOM 707 N GLY A 71 19.550 -0.448 -4.720 1.00 0.00 N ATOM 708 CA GLY A 71 19.879 -0.855 -6.125 1.00 0.00 C ATOM 709 C GLY A 71 19.118 -2.133 -6.489 1.00 0.00 C ATOM 710 O GLY A 71 18.667 -2.300 -7.607 1.00 0.00 O ATOM 0 H GLY A 71 20.350 -0.398 -4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 71 19.615 -0.055 -6.816 1.00 0.00 H new ATOM 0 HA3 GLY A 71 20.952 -1.020 -6.223 1.00 0.00 H new ATOM 714 N THR A 72 18.970 -3.031 -5.549 1.00 0.00 N ATOM 715 CA THR A 72 18.230 -4.301 -5.823 1.00 0.00 C ATOM 716 C THR A 72 16.720 -4.024 -5.859 1.00 0.00 C ATOM 717 O THR A 72 16.263 -3.022 -5.339 1.00 0.00 O ATOM 718 CB THR A 72 18.572 -5.252 -4.657 1.00 0.00 C ATOM 719 OG1 THR A 72 19.542 -4.658 -3.798 1.00 0.00 O ATOM 720 CG2 THR A 72 19.120 -6.571 -5.209 1.00 0.00 C ATOM 0 H THR A 72 19.331 -2.939 -4.599 1.00 0.00 H new ATOM 0 HA THR A 72 18.510 -4.735 -6.783 1.00 0.00 H new ATOM 0 HB THR A 72 17.663 -5.443 -4.086 1.00 0.00 H new ATOM 0 HG1 THR A 72 19.877 -5.330 -3.168 1.00 0.00 H new ATOM 0 HG21 THR A 72 19.360 -7.240 -4.382 1.00 0.00 H new ATOM 0 HG22 THR A 72 18.370 -7.038 -5.847 1.00 0.00 H new ATOM 0 HG23 THR A 72 20.021 -6.376 -5.791 1.00 0.00 H new ATOM 728 N PRO A 73 15.986 -4.926 -6.465 1.00 0.00 N ATOM 729 CA PRO A 73 14.510 -4.769 -6.552 1.00 0.00 C ATOM 730 C PRO A 73 13.879 -4.954 -5.165 1.00 0.00 C ATOM 731 O PRO A 73 14.303 -5.790 -4.386 1.00 0.00 O ATOM 732 CB PRO A 73 14.085 -5.883 -7.508 1.00 0.00 C ATOM 733 CG PRO A 73 15.169 -6.906 -7.410 1.00 0.00 C ATOM 734 CD PRO A 73 16.444 -6.161 -7.115 1.00 0.00 C ATOM 0 HA PRO A 73 14.197 -3.784 -6.899 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.120 -6.301 -7.223 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.983 -5.511 -8.528 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.951 -7.626 -6.622 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.256 -7.468 -8.340 1.00 0.00 H new ATOM 0 HD2 PRO A 73 17.102 -6.736 -6.463 1.00 0.00 H new ATOM 0 HD3 PRO A 73 17.004 -5.950 -8.026 1.00 0.00 H new ATOM 742 N LYS A 74 12.881 -4.170 -4.849 1.00 0.00 N ATOM 743 CA LYS A 74 12.224 -4.277 -3.515 1.00 0.00 C ATOM 744 C LYS A 74 10.906 -5.053 -3.621 1.00 0.00 C ATOM 745 O LYS A 74 9.940 -4.552 -4.166 1.00 0.00 O ATOM 746 CB LYS A 74 11.958 -2.830 -3.097 1.00 0.00 C ATOM 747 CG LYS A 74 11.939 -2.724 -1.573 1.00 0.00 C ATOM 748 CD LYS A 74 12.754 -1.505 -1.145 1.00 0.00 C ATOM 749 CE LYS A 74 14.186 -1.935 -0.803 1.00 0.00 C ATOM 750 NZ LYS A 74 15.025 -0.720 -1.016 1.00 0.00 N ATOM 0 H LYS A 74 12.491 -3.455 -5.464 1.00 0.00 H new ATOM 0 HA LYS A 74 12.843 -4.811 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.729 -2.177 -3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.005 -2.494 -3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.913 -2.635 -1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.354 -3.628 -1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.767 -0.765 -1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.290 -1.031 -0.280 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.256 -2.285 0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.513 -2.755 -1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.640 -0.864 -1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.410 0.102 -1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.610 -0.550 -0.173 1.00 0.00 H new ATOM 764 N PRO A 75 10.907 -6.250 -3.084 1.00 0.00 N ATOM 765 CA PRO A 75 9.685 -7.095 -3.107 1.00 0.00 C ATOM 766 C PRO A 75 8.652 -6.522 -2.131 1.00 0.00 C ATOM 767 O PRO A 75 8.670 -6.817 -0.955 1.00 0.00 O ATOM 768 CB PRO A 75 10.190 -8.465 -2.656 1.00 0.00 C ATOM 769 CG PRO A 75 11.421 -8.183 -1.857 1.00 0.00 C ATOM 770 CD PRO A 75 12.028 -6.922 -2.412 1.00 0.00 C ATOM 0 HA PRO A 75 9.194 -7.142 -4.079 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.441 -8.983 -2.057 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.413 -9.104 -3.511 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.176 -8.061 -0.802 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.124 -9.013 -1.927 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.449 -6.301 -1.621 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.837 -7.142 -3.109 1.00 0.00 H new ATOM 778 N VAL A 76 7.768 -5.689 -2.613 1.00 0.00 N ATOM 779 CA VAL A 76 6.745 -5.068 -1.719 1.00 0.00 C ATOM 780 C VAL A 76 5.498 -5.953 -1.612 1.00 0.00 C ATOM 781 O VAL A 76 5.201 -6.738 -2.493 1.00 0.00 O ATOM 782 CB VAL A 76 6.393 -3.732 -2.382 1.00 0.00 C ATOM 783 CG1 VAL A 76 5.355 -2.996 -1.537 1.00 0.00 C ATOM 784 CG2 VAL A 76 7.651 -2.865 -2.506 1.00 0.00 C ATOM 0 H VAL A 76 7.710 -5.410 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 76 7.123 -4.940 -0.705 1.00 0.00 H new ATOM 0 HB VAL A 76 5.986 -3.925 -3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.107 -2.046 -2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.455 -3.606 -1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.761 -2.810 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.394 -1.917 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.063 -2.677 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.392 -3.384 -3.114 1.00 0.00 H new ATOM 794 N SER A 77 4.766 -5.815 -0.535 1.00 0.00 N ATOM 795 CA SER A 77 3.525 -6.628 -0.344 1.00 0.00 C ATOM 796 C SER A 77 2.555 -5.892 0.592 1.00 0.00 C ATOM 797 O SER A 77 2.951 -5.372 1.618 1.00 0.00 O ATOM 798 CB SER A 77 4.002 -7.936 0.297 1.00 0.00 C ATOM 799 OG SER A 77 4.730 -8.698 -0.662 1.00 0.00 O ATOM 0 H SER A 77 4.976 -5.169 0.226 1.00 0.00 H new ATOM 0 HA SER A 77 2.995 -6.804 -1.280 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.632 -7.722 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.148 -8.508 0.659 1.00 0.00 H new ATOM 0 HG SER A 77 5.036 -9.533 -0.252 1.00 0.00 H new ATOM 805 N PHE A 78 1.289 -5.838 0.247 1.00 0.00 N ATOM 806 CA PHE A 78 0.299 -5.128 1.126 1.00 0.00 C ATOM 807 C PHE A 78 -1.134 -5.569 0.809 1.00 0.00 C ATOM 808 O PHE A 78 -1.407 -6.131 -0.234 1.00 0.00 O ATOM 809 CB PHE A 78 0.463 -3.633 0.823 1.00 0.00 C ATOM 810 CG PHE A 78 0.402 -3.384 -0.668 1.00 0.00 C ATOM 811 CD1 PHE A 78 -0.837 -3.321 -1.318 1.00 0.00 C ATOM 812 CD2 PHE A 78 1.583 -3.209 -1.398 1.00 0.00 C ATOM 813 CE1 PHE A 78 -0.894 -3.087 -2.696 1.00 0.00 C ATOM 814 CE2 PHE A 78 1.525 -2.974 -2.777 1.00 0.00 C ATOM 815 CZ PHE A 78 0.287 -2.913 -3.426 1.00 0.00 C ATOM 0 H PHE A 78 0.899 -6.252 -0.600 1.00 0.00 H new ATOM 0 HA PHE A 78 0.479 -5.355 2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.321 -3.066 1.325 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.415 -3.278 1.218 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.749 -3.453 -0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.539 -3.255 -0.898 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.850 -3.041 -3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.437 -2.840 -3.340 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.243 -2.732 -4.490 1.00 0.00 H new ATOM 825 N THR A 79 -2.049 -5.302 1.704 1.00 0.00 N ATOM 826 CA THR A 79 -3.474 -5.689 1.469 1.00 0.00 C ATOM 827 C THR A 79 -4.299 -4.455 1.084 1.00 0.00 C ATOM 828 O THR A 79 -4.124 -3.387 1.638 1.00 0.00 O ATOM 829 CB THR A 79 -3.967 -6.278 2.798 1.00 0.00 C ATOM 830 OG1 THR A 79 -3.541 -5.459 3.879 1.00 0.00 O ATOM 831 CG2 THR A 79 -3.402 -7.689 2.974 1.00 0.00 C ATOM 0 H THR A 79 -1.871 -4.831 2.591 1.00 0.00 H new ATOM 0 HA THR A 79 -3.573 -6.406 0.654 1.00 0.00 H new ATOM 0 HB THR A 79 -5.056 -6.319 2.787 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.860 -5.840 4.724 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.753 -8.106 3.918 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.737 -8.320 2.151 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.313 -7.647 2.978 1.00 0.00 H new ATOM 839 N VAL A 80 -5.196 -4.599 0.140 1.00 0.00 N ATOM 840 CA VAL A 80 -6.042 -3.439 -0.287 1.00 0.00 C ATOM 841 C VAL A 80 -7.513 -3.863 -0.395 1.00 0.00 C ATOM 842 O VAL A 80 -7.821 -4.990 -0.742 1.00 0.00 O ATOM 843 CB VAL A 80 -5.503 -2.999 -1.660 1.00 0.00 C ATOM 844 CG1 VAL A 80 -4.092 -2.428 -1.506 1.00 0.00 C ATOM 845 CG2 VAL A 80 -5.463 -4.194 -2.620 1.00 0.00 C ATOM 0 H VAL A 80 -5.380 -5.472 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.996 -2.624 0.435 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.165 -2.234 -2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.716 -2.119 -2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.119 -1.567 -0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.434 -3.191 -1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.080 -3.870 -3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.812 -4.967 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.469 -4.595 -2.744 1.00 0.00 H new ATOM 855 N LYS A 81 -8.419 -2.964 -0.108 1.00 0.00 N ATOM 856 CA LYS A 81 -9.874 -3.301 -0.193 1.00 0.00 C ATOM 857 C LYS A 81 -10.634 -2.190 -0.932 1.00 0.00 C ATOM 858 O LYS A 81 -10.133 -1.096 -1.116 1.00 0.00 O ATOM 859 CB LYS A 81 -10.339 -3.458 1.273 1.00 0.00 C ATOM 860 CG LYS A 81 -11.334 -2.353 1.676 1.00 0.00 C ATOM 861 CD LYS A 81 -12.782 -2.811 1.426 1.00 0.00 C ATOM 862 CE LYS A 81 -13.041 -4.184 2.061 1.00 0.00 C ATOM 863 NZ LYS A 81 -12.634 -4.063 3.493 1.00 0.00 N ATOM 0 H LYS A 81 -8.214 -2.008 0.183 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.065 -4.214 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.806 -4.434 1.404 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.473 -3.427 1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.202 -2.104 2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.130 -1.447 1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.475 -2.079 1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.972 -2.860 0.354 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.092 -4.460 1.977 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.466 -4.961 1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.163 -4.753 4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.615 -4.249 3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.841 -3.102 3.833 1.00 0.00 H new ATOM 877 N GLU A 82 -11.834 -2.476 -1.365 1.00 0.00 N ATOM 878 CA GLU A 82 -12.645 -1.455 -2.105 1.00 0.00 C ATOM 879 C GLU A 82 -13.065 -0.291 -1.188 1.00 0.00 C ATOM 880 O GLU A 82 -13.490 -0.488 -0.065 1.00 0.00 O ATOM 881 CB GLU A 82 -13.883 -2.212 -2.598 1.00 0.00 C ATOM 882 CG GLU A 82 -14.189 -1.802 -4.040 1.00 0.00 C ATOM 883 CD GLU A 82 -15.431 -2.544 -4.540 1.00 0.00 C ATOM 884 OE1 GLU A 82 -16.523 -2.152 -4.163 1.00 0.00 O ATOM 885 OE2 GLU A 82 -15.267 -3.489 -5.299 1.00 0.00 O ATOM 0 H GLU A 82 -12.293 -3.378 -1.238 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.073 -1.010 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.711 -3.287 -2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.737 -1.992 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.351 -0.726 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.337 -2.029 -4.680 1.00 0.00 H new ATOM 892 N THR A 83 -12.961 0.920 -1.680 1.00 0.00 N ATOM 893 CA THR A 83 -13.366 2.122 -0.875 1.00 0.00 C ATOM 894 C THR A 83 -14.767 2.583 -1.310 1.00 0.00 C ATOM 895 O THR A 83 -15.364 2.010 -2.202 1.00 0.00 O ATOM 896 CB THR A 83 -12.331 3.206 -1.212 1.00 0.00 C ATOM 897 OG1 THR A 83 -12.138 3.271 -2.622 1.00 0.00 O ATOM 898 CG2 THR A 83 -11.004 2.878 -0.532 1.00 0.00 C ATOM 0 H THR A 83 -12.610 1.132 -2.614 1.00 0.00 H new ATOM 0 HA THR A 83 -13.399 1.911 0.194 1.00 0.00 H new ATOM 0 HB THR A 83 -12.695 4.169 -0.854 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.899 4.186 -2.878 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.272 3.649 -0.773 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.148 2.839 0.548 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.643 1.912 -0.885 1.00 0.00 H new ATOM 906 N VAL A 84 -15.293 3.619 -0.702 1.00 0.00 N ATOM 907 CA VAL A 84 -16.650 4.111 -1.106 1.00 0.00 C ATOM 908 C VAL A 84 -16.561 4.943 -2.399 1.00 0.00 C ATOM 909 O VAL A 84 -17.551 5.149 -3.075 1.00 0.00 O ATOM 910 CB VAL A 84 -17.158 4.981 0.058 1.00 0.00 C ATOM 911 CG1 VAL A 84 -17.127 4.179 1.363 1.00 0.00 C ATOM 912 CG2 VAL A 84 -16.282 6.230 0.203 1.00 0.00 C ATOM 0 H VAL A 84 -14.846 4.142 0.051 1.00 0.00 H new ATOM 0 HA VAL A 84 -17.327 3.280 -1.305 1.00 0.00 H new ATOM 0 HB VAL A 84 -18.183 5.285 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.488 4.802 2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -17.766 3.301 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.105 3.863 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -16.650 6.839 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.253 5.931 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.319 6.810 -0.719 1.00 0.00 H new ATOM 922 N CYS A 85 -15.388 5.424 -2.746 1.00 0.00 N ATOM 923 CA CYS A 85 -15.246 6.246 -3.988 1.00 0.00 C ATOM 924 C CYS A 85 -14.897 5.363 -5.193 1.00 0.00 C ATOM 925 O CYS A 85 -14.026 4.516 -5.110 1.00 0.00 O ATOM 926 CB CYS A 85 -14.096 7.212 -3.703 1.00 0.00 C ATOM 927 SG CYS A 85 -14.699 8.598 -2.712 1.00 0.00 S ATOM 0 H CYS A 85 -14.525 5.282 -2.221 1.00 0.00 H new ATOM 0 HA CYS A 85 -16.174 6.763 -4.230 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -13.296 6.695 -3.174 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -13.674 7.578 -4.639 1.00 0.00 H new ATOM 932 N PRO A 86 -15.580 5.606 -6.289 1.00 0.00 N ATOM 933 CA PRO A 86 -15.323 4.839 -7.531 1.00 0.00 C ATOM 934 C PRO A 86 -14.032 5.331 -8.199 1.00 0.00 C ATOM 935 O PRO A 86 -13.608 6.456 -8.000 1.00 0.00 O ATOM 936 CB PRO A 86 -16.535 5.144 -8.403 1.00 0.00 C ATOM 937 CG PRO A 86 -17.047 6.465 -7.917 1.00 0.00 C ATOM 938 CD PRO A 86 -16.647 6.602 -6.469 1.00 0.00 C ATOM 0 HA PRO A 86 -15.192 3.771 -7.357 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -16.260 5.192 -9.457 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -17.294 4.368 -8.307 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -16.629 7.279 -8.509 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.131 6.518 -8.022 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -16.292 7.609 -6.248 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -17.489 6.408 -5.804 1.00 0.00 H new ATOM 946 N ARG A 87 -13.412 4.496 -8.989 1.00 0.00 N ATOM 947 CA ARG A 87 -12.149 4.900 -9.677 1.00 0.00 C ATOM 948 C ARG A 87 -12.454 5.337 -11.120 1.00 0.00 C ATOM 949 O ARG A 87 -13.277 4.728 -11.777 1.00 0.00 O ATOM 950 CB ARG A 87 -11.287 3.628 -9.665 1.00 0.00 C ATOM 951 CG ARG A 87 -10.024 3.822 -10.515 1.00 0.00 C ATOM 952 CD ARG A 87 -9.542 2.465 -11.036 1.00 0.00 C ATOM 953 NE ARG A 87 -9.917 2.447 -12.480 1.00 0.00 N ATOM 954 CZ ARG A 87 -9.112 2.958 -13.377 1.00 0.00 C ATOM 955 NH1 ARG A 87 -8.149 2.230 -13.880 1.00 0.00 N ATOM 956 NH2 ARG A 87 -9.271 4.194 -13.772 1.00 0.00 N ATOM 0 H ARG A 87 -13.727 3.547 -9.189 1.00 0.00 H new ATOM 0 HA ARG A 87 -11.651 5.740 -9.192 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.008 3.381 -8.641 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.865 2.787 -10.049 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.235 4.490 -11.350 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.242 4.293 -9.920 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.465 2.353 -10.907 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.015 1.645 -10.496 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.804 2.035 -12.769 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.026 1.265 -13.573 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.521 2.627 -14.579 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.023 4.762 -13.381 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.643 4.591 -14.471 1.00 0.00 H new ATOM 970 N PRO A 88 -11.771 6.365 -11.590 1.00 0.00 N ATOM 971 CA PRO A 88 -10.765 7.114 -10.793 1.00 0.00 C ATOM 972 C PRO A 88 -11.390 8.360 -10.142 1.00 0.00 C ATOM 973 O PRO A 88 -12.217 9.028 -10.736 1.00 0.00 O ATOM 974 CB PRO A 88 -9.755 7.534 -11.859 1.00 0.00 C ATOM 975 CG PRO A 88 -10.519 7.575 -13.156 1.00 0.00 C ATOM 976 CD PRO A 88 -11.863 6.915 -12.938 1.00 0.00 C ATOM 0 HA PRO A 88 -10.340 6.530 -9.977 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -9.325 8.509 -11.628 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.928 6.826 -11.915 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.651 8.605 -13.486 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.965 7.058 -13.939 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.679 7.633 -13.021 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.049 6.135 -13.676 1.00 0.00 H new ATOM 984 N THR A 89 -10.984 8.695 -8.942 1.00 0.00 N ATOM 985 CA THR A 89 -11.537 9.917 -8.275 1.00 0.00 C ATOM 986 C THR A 89 -10.594 11.103 -8.526 1.00 0.00 C ATOM 987 O THR A 89 -9.493 10.927 -9.016 1.00 0.00 O ATOM 988 CB THR A 89 -11.598 9.585 -6.774 1.00 0.00 C ATOM 989 OG1 THR A 89 -12.221 8.321 -6.582 1.00 0.00 O ATOM 990 CG2 THR A 89 -12.403 10.659 -6.037 1.00 0.00 C ATOM 0 H THR A 89 -10.295 8.177 -8.396 1.00 0.00 H new ATOM 0 HA THR A 89 -12.521 10.188 -8.658 1.00 0.00 H new ATOM 0 HB THR A 89 -10.583 9.554 -6.379 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.737 8.086 -7.381 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.443 10.419 -4.975 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.925 11.629 -6.172 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.415 10.695 -6.439 1.00 0.00 H new ATOM 998 N ARG A 90 -11.007 12.304 -8.189 1.00 0.00 N ATOM 999 CA ARG A 90 -10.119 13.492 -8.403 1.00 0.00 C ATOM 1000 C ARG A 90 -8.748 13.229 -7.769 1.00 0.00 C ATOM 1001 O ARG A 90 -7.721 13.410 -8.394 1.00 0.00 O ATOM 1002 CB ARG A 90 -10.821 14.660 -7.702 1.00 0.00 C ATOM 1003 CG ARG A 90 -11.942 15.197 -8.596 1.00 0.00 C ATOM 1004 CD ARG A 90 -12.548 16.450 -7.958 1.00 0.00 C ATOM 1005 NE ARG A 90 -13.956 16.490 -8.447 1.00 0.00 N ATOM 1006 CZ ARG A 90 -14.304 17.349 -9.368 1.00 0.00 C ATOM 1007 NH1 ARG A 90 -14.603 18.577 -9.034 1.00 0.00 N ATOM 1008 NH2 ARG A 90 -14.353 16.978 -10.621 1.00 0.00 N ATOM 0 H ARG A 90 -11.917 12.512 -7.777 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.956 13.703 -9.460 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.230 14.331 -6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.104 15.452 -7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.551 15.433 -9.586 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.711 14.436 -8.730 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.510 16.397 -6.870 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.002 17.346 -8.253 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.648 15.847 -8.062 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.564 18.863 -8.056 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.875 19.249 -9.752 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.120 16.019 -10.878 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.625 17.648 -11.341 1.00 0.00 H new ATOM 1022 N GLN A 91 -8.735 12.783 -6.537 1.00 0.00 N ATOM 1023 CA GLN A 91 -7.452 12.477 -5.849 1.00 0.00 C ATOM 1024 C GLN A 91 -7.373 10.965 -5.567 1.00 0.00 C ATOM 1025 O GLN A 91 -8.283 10.231 -5.910 1.00 0.00 O ATOM 1026 CB GLN A 91 -7.511 13.283 -4.547 1.00 0.00 C ATOM 1027 CG GLN A 91 -6.515 14.444 -4.616 1.00 0.00 C ATOM 1028 CD GLN A 91 -6.077 14.830 -3.200 1.00 0.00 C ATOM 1029 OE1 GLN A 91 -5.111 14.301 -2.688 1.00 0.00 O ATOM 1030 NE2 GLN A 91 -6.752 15.732 -2.543 1.00 0.00 N ATOM 0 H GLN A 91 -9.571 12.618 -5.976 1.00 0.00 H new ATOM 0 HA GLN A 91 -6.573 12.736 -6.439 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.520 13.665 -4.389 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -7.277 12.640 -3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -5.647 14.157 -5.210 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.973 15.300 -5.112 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -7.563 16.176 -2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -6.469 15.994 -1.599 1.00 0.00 H new ATOM 1039 N PRO A 92 -6.293 10.540 -4.949 1.00 0.00 N ATOM 1040 CA PRO A 92 -6.115 9.095 -4.624 1.00 0.00 C ATOM 1041 C PRO A 92 -7.194 8.606 -3.639 1.00 0.00 C ATOM 1042 O PRO A 92 -7.905 9.398 -3.052 1.00 0.00 O ATOM 1043 CB PRO A 92 -4.714 9.038 -4.009 1.00 0.00 C ATOM 1044 CG PRO A 92 -4.467 10.423 -3.509 1.00 0.00 C ATOM 1045 CD PRO A 92 -5.146 11.339 -4.491 1.00 0.00 C ATOM 0 HA PRO A 92 -6.216 8.446 -5.494 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.665 8.310 -3.200 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.968 8.744 -4.748 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.873 10.555 -2.506 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.399 10.634 -3.451 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.464 12.270 -4.021 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.486 11.607 -5.316 1.00 0.00 H new ATOM 1053 N PRO A 93 -7.285 7.301 -3.504 1.00 0.00 N ATOM 1054 CA PRO A 93 -8.294 6.682 -2.593 1.00 0.00 C ATOM 1055 C PRO A 93 -7.954 6.901 -1.104 1.00 0.00 C ATOM 1056 O PRO A 93 -8.676 6.447 -0.234 1.00 0.00 O ATOM 1057 CB PRO A 93 -8.219 5.198 -2.941 1.00 0.00 C ATOM 1058 CG PRO A 93 -6.849 4.999 -3.504 1.00 0.00 C ATOM 1059 CD PRO A 93 -6.468 6.285 -4.184 1.00 0.00 C ATOM 0 HA PRO A 93 -9.284 7.118 -2.726 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.377 4.578 -2.059 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.986 4.924 -3.665 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.138 4.754 -2.715 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.838 4.170 -4.211 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.403 6.492 -4.078 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.681 6.250 -5.252 1.00 0.00 H new ATOM 1067 N GLU A 94 -6.874 7.580 -0.797 1.00 0.00 N ATOM 1068 CA GLU A 94 -6.514 7.807 0.636 1.00 0.00 C ATOM 1069 C GLU A 94 -7.375 8.920 1.259 1.00 0.00 C ATOM 1070 O GLU A 94 -7.379 9.097 2.462 1.00 0.00 O ATOM 1071 CB GLU A 94 -5.040 8.214 0.621 1.00 0.00 C ATOM 1072 CG GLU A 94 -4.323 7.552 1.800 1.00 0.00 C ATOM 1073 CD GLU A 94 -2.811 7.628 1.591 1.00 0.00 C ATOM 1074 OE1 GLU A 94 -2.324 6.978 0.681 1.00 0.00 O ATOM 1075 OE2 GLU A 94 -2.164 8.329 2.349 1.00 0.00 O ATOM 0 H GLU A 94 -6.229 7.985 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.688 6.914 1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.576 7.912 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.949 9.298 0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.597 8.049 2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.636 6.512 1.891 1.00 0.00 H new ATOM 1082 N LEU A 95 -8.102 9.667 0.461 1.00 0.00 N ATOM 1083 CA LEU A 95 -8.955 10.757 1.024 1.00 0.00 C ATOM 1084 C LEU A 95 -10.388 10.255 1.238 1.00 0.00 C ATOM 1085 O LEU A 95 -11.116 10.775 2.063 1.00 0.00 O ATOM 1086 CB LEU A 95 -8.947 11.886 -0.021 1.00 0.00 C ATOM 1087 CG LEU A 95 -7.523 12.427 -0.249 1.00 0.00 C ATOM 1088 CD1 LEU A 95 -6.714 12.389 1.052 1.00 0.00 C ATOM 1089 CD2 LEU A 95 -6.823 11.580 -1.313 1.00 0.00 C ATOM 0 H LEU A 95 -8.140 9.567 -0.553 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.578 11.097 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.353 11.516 -0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.597 12.696 0.310 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.591 13.462 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.711 12.775 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.207 13.003 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.647 11.361 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.815 11.961 -1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.770 10.545 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.385 11.630 -2.246 1.00 0.00 H new ATOM 1101 N CYS A 96 -10.797 9.256 0.494 1.00 0.00 N ATOM 1102 CA CYS A 96 -12.184 8.722 0.640 1.00 0.00 C ATOM 1103 C CYS A 96 -12.260 7.692 1.774 1.00 0.00 C ATOM 1104 O CYS A 96 -11.278 7.402 2.437 1.00 0.00 O ATOM 1105 CB CYS A 96 -12.499 8.073 -0.708 1.00 0.00 C ATOM 1106 SG CYS A 96 -13.027 9.354 -1.872 1.00 0.00 S ATOM 0 H CYS A 96 -10.227 8.787 -0.210 1.00 0.00 H new ATOM 0 HA CYS A 96 -12.898 9.505 0.895 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -11.619 7.556 -1.091 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -13.283 7.325 -0.591 1.00 0.00 H new ATOM 1111 N ASP A 97 -13.432 7.152 2.007 1.00 0.00 N ATOM 1112 CA ASP A 97 -13.609 6.153 3.104 1.00 0.00 C ATOM 1113 C ASP A 97 -13.057 4.779 2.697 1.00 0.00 C ATOM 1114 O ASP A 97 -12.384 4.632 1.693 1.00 0.00 O ATOM 1115 CB ASP A 97 -15.125 6.072 3.341 1.00 0.00 C ATOM 1116 CG ASP A 97 -15.664 7.439 3.776 1.00 0.00 C ATOM 1117 OD1 ASP A 97 -15.919 8.259 2.908 1.00 0.00 O ATOM 1118 OD2 ASP A 97 -15.815 7.640 4.969 1.00 0.00 O ATOM 0 H ASP A 97 -14.279 7.363 1.479 1.00 0.00 H new ATOM 0 HA ASP A 97 -13.068 6.450 4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.627 5.748 2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.342 5.327 4.106 1.00 0.00 H new ATOM 1123 N PHE A 98 -13.338 3.778 3.489 1.00 0.00 N ATOM 1124 CA PHE A 98 -12.844 2.399 3.204 1.00 0.00 C ATOM 1125 C PHE A 98 -13.947 1.391 3.547 1.00 0.00 C ATOM 1126 O PHE A 98 -14.232 1.142 4.702 1.00 0.00 O ATOM 1127 CB PHE A 98 -11.653 2.247 4.151 1.00 0.00 C ATOM 1128 CG PHE A 98 -10.637 1.248 3.636 1.00 0.00 C ATOM 1129 CD1 PHE A 98 -10.470 1.019 2.263 1.00 0.00 C ATOM 1130 CD2 PHE A 98 -9.839 0.562 4.558 1.00 0.00 C ATOM 1131 CE1 PHE A 98 -9.508 0.101 1.821 1.00 0.00 C ATOM 1132 CE2 PHE A 98 -8.880 -0.350 4.114 1.00 0.00 C ATOM 1133 CZ PHE A 98 -8.714 -0.584 2.749 1.00 0.00 C ATOM 0 H PHE A 98 -13.899 3.860 4.337 1.00 0.00 H new ATOM 0 HA PHE A 98 -12.570 2.231 2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -11.172 3.216 4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -12.008 1.929 5.131 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -11.081 1.549 1.548 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.965 0.739 5.616 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -9.379 -0.078 0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -8.265 -0.876 4.829 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.974 -1.293 2.408 1.00 0.00 H new ATOM 1143 N LYS A 99 -14.583 0.825 2.554 1.00 0.00 N ATOM 1144 CA LYS A 99 -15.689 -0.154 2.828 1.00 0.00 C ATOM 1145 C LYS A 99 -15.176 -1.366 3.615 1.00 0.00 C ATOM 1146 O LYS A 99 -13.985 -1.572 3.764 1.00 0.00 O ATOM 1147 CB LYS A 99 -16.207 -0.601 1.458 1.00 0.00 C ATOM 1148 CG LYS A 99 -16.788 0.597 0.700 1.00 0.00 C ATOM 1149 CD LYS A 99 -18.210 0.272 0.236 1.00 0.00 C ATOM 1150 CE LYS A 99 -19.161 0.285 1.438 1.00 0.00 C ATOM 1151 NZ LYS A 99 -20.524 0.119 0.858 1.00 0.00 N ATOM 0 H LYS A 99 -14.389 0.994 1.567 1.00 0.00 H new ATOM 0 HA LYS A 99 -16.472 0.306 3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -15.397 -1.048 0.882 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -16.971 -1.369 1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -16.797 1.477 1.343 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -16.160 0.836 -0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -18.536 1.001 -0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -18.231 -0.705 -0.246 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -18.928 -0.521 2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -19.080 1.219 1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -21.229 0.119 1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -20.722 0.904 0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -20.574 -0.782 0.341 1.00 0.00 H new ATOM 1165 N GLU A 100 -16.076 -2.170 4.112 1.00 0.00 N ATOM 1166 CA GLU A 100 -15.669 -3.383 4.879 1.00 0.00 C ATOM 1167 C GLU A 100 -15.903 -4.629 4.020 1.00 0.00 C ATOM 1168 O GLU A 100 -15.023 -5.452 3.852 1.00 0.00 O ATOM 1169 CB GLU A 100 -16.564 -3.400 6.122 1.00 0.00 C ATOM 1170 CG GLU A 100 -16.193 -4.590 7.014 1.00 0.00 C ATOM 1171 CD GLU A 100 -17.081 -5.791 6.669 1.00 0.00 C ATOM 1172 OE1 GLU A 100 -18.265 -5.728 6.952 1.00 0.00 O ATOM 1173 OE2 GLU A 100 -16.559 -6.752 6.127 1.00 0.00 O ATOM 0 H GLU A 100 -17.083 -2.038 4.019 1.00 0.00 H new ATOM 0 HA GLU A 100 -14.614 -3.371 5.154 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -16.449 -2.469 6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.611 -3.468 5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.144 -4.849 6.873 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -16.317 -4.323 8.063 1.00 0.00 H new ATOM 1180 N ASN A 101 -17.083 -4.763 3.469 1.00 0.00 N ATOM 1181 CA ASN A 101 -17.384 -5.945 2.607 1.00 0.00 C ATOM 1182 C ASN A 101 -16.764 -5.770 1.208 1.00 0.00 C ATOM 1183 O ASN A 101 -16.834 -6.667 0.389 1.00 0.00 O ATOM 1184 CB ASN A 101 -18.915 -6.008 2.513 1.00 0.00 C ATOM 1185 CG ASN A 101 -19.519 -6.086 3.919 1.00 0.00 C ATOM 1186 OD1 ASN A 101 -19.920 -5.082 4.473 1.00 0.00 O ATOM 1187 ND2 ASN A 101 -19.600 -7.241 4.522 1.00 0.00 N ATOM 0 H ASN A 101 -17.852 -4.103 3.580 1.00 0.00 H new ATOM 0 HA ASN A 101 -16.967 -6.862 3.023 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -19.293 -5.128 1.993 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -19.217 -6.877 1.929 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -20.000 -7.300 5.458 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -19.263 -8.084 4.057 1.00 0.00 H new ATOM 1194 N GLY A 102 -16.154 -4.632 0.924 1.00 0.00 N ATOM 1195 CA GLY A 102 -15.531 -4.421 -0.420 1.00 0.00 C ATOM 1196 C GLY A 102 -14.539 -5.547 -0.714 1.00 0.00 C ATOM 1197 O GLY A 102 -14.017 -6.177 0.188 1.00 0.00 O ATOM 0 H GLY A 102 -16.065 -3.846 1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -16.303 -4.394 -1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.021 -3.458 -0.447 1.00 0.00 H new ATOM 1201 N ARG A 103 -14.273 -5.801 -1.970 1.00 0.00 N ATOM 1202 CA ARG A 103 -13.309 -6.883 -2.334 1.00 0.00 C ATOM 1203 C ARG A 103 -11.971 -6.641 -1.629 1.00 0.00 C ATOM 1204 O ARG A 103 -11.461 -5.536 -1.616 1.00 0.00 O ATOM 1205 CB ARG A 103 -13.152 -6.783 -3.856 1.00 0.00 C ATOM 1206 CG ARG A 103 -11.859 -7.475 -4.305 1.00 0.00 C ATOM 1207 CD ARG A 103 -11.984 -8.988 -4.094 1.00 0.00 C ATOM 1208 NE ARG A 103 -11.405 -9.600 -5.323 1.00 0.00 N ATOM 1209 CZ ARG A 103 -12.185 -9.940 -6.314 1.00 0.00 C ATOM 1210 NH1 ARG A 103 -12.526 -9.050 -7.208 1.00 0.00 N ATOM 1211 NH2 ARG A 103 -12.623 -11.168 -6.408 1.00 0.00 N ATOM 0 H ARG A 103 -14.683 -5.304 -2.761 1.00 0.00 H new ATOM 0 HA ARG A 103 -13.654 -7.872 -2.033 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.009 -7.244 -4.348 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.136 -5.736 -4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.665 -7.259 -5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.012 -7.088 -3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.444 -9.308 -3.203 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -13.025 -9.283 -3.959 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.399 -9.754 -5.390 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -12.183 -8.092 -7.131 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -13.135 -9.313 -7.983 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -12.356 -11.860 -5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -13.232 -11.434 -7.182 1.00 0.00 H new ATOM 1225 N VAL A 104 -11.409 -7.661 -1.038 1.00 0.00 N ATOM 1226 CA VAL A 104 -10.107 -7.489 -0.324 1.00 0.00 C ATOM 1227 C VAL A 104 -9.034 -8.384 -0.952 1.00 0.00 C ATOM 1228 O VAL A 104 -9.219 -9.579 -1.096 1.00 0.00 O ATOM 1229 CB VAL A 104 -10.377 -7.922 1.125 1.00 0.00 C ATOM 1230 CG1 VAL A 104 -9.174 -7.563 1.999 1.00 0.00 C ATOM 1231 CG2 VAL A 104 -11.620 -7.205 1.662 1.00 0.00 C ATOM 0 H VAL A 104 -11.793 -8.606 -1.018 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.745 -6.463 -0.382 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.542 -8.999 1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.366 -7.871 3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -8.288 -8.076 1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.010 -6.486 1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.805 -7.517 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.459 -6.127 1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -12.482 -7.459 1.045 1.00 0.00 H new ATOM 1241 N LYS A 105 -7.913 -7.820 -1.327 1.00 0.00 N ATOM 1242 CA LYS A 105 -6.831 -8.652 -1.940 1.00 0.00 C ATOM 1243 C LYS A 105 -5.440 -8.117 -1.568 1.00 0.00 C ATOM 1244 O LYS A 105 -5.275 -6.956 -1.237 1.00 0.00 O ATOM 1245 CB LYS A 105 -7.061 -8.567 -3.456 1.00 0.00 C ATOM 1246 CG LYS A 105 -6.903 -7.118 -3.936 1.00 0.00 C ATOM 1247 CD LYS A 105 -8.280 -6.518 -4.232 1.00 0.00 C ATOM 1248 CE LYS A 105 -8.688 -6.848 -5.673 1.00 0.00 C ATOM 1249 NZ LYS A 105 -8.689 -5.543 -6.396 1.00 0.00 N ATOM 0 H LYS A 105 -7.700 -6.827 -1.236 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.866 -9.680 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.350 -9.209 -3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.058 -8.932 -3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.394 -6.526 -3.175 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.282 -7.087 -4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -9.018 -6.915 -3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.255 -5.438 -4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.988 -7.548 -6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.672 -7.315 -5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.910 -5.702 -7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.406 -4.916 -5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.752 -5.100 -6.314 1.00 0.00 H new ATOM 1263 N GLN A 106 -4.436 -8.958 -1.638 1.00 0.00 N ATOM 1264 CA GLN A 106 -3.050 -8.513 -1.307 1.00 0.00 C ATOM 1265 C GLN A 106 -2.207 -8.490 -2.581 1.00 0.00 C ATOM 1266 O GLN A 106 -1.934 -9.518 -3.174 1.00 0.00 O ATOM 1267 CB GLN A 106 -2.513 -9.546 -0.309 1.00 0.00 C ATOM 1268 CG GLN A 106 -1.046 -9.241 0.023 1.00 0.00 C ATOM 1269 CD GLN A 106 -0.729 -9.710 1.448 1.00 0.00 C ATOM 1270 OE1 GLN A 106 -0.338 -8.841 2.343 1.00 0.00 O flip ATOM 1271 NE2 GLN A 106 -0.839 -10.880 1.750 1.00 0.00 N flip ATOM 0 H GLN A 106 -4.520 -9.937 -1.912 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.022 -7.509 -0.882 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.112 -9.529 0.602 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.599 -10.548 -0.729 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -0.390 -9.742 -0.689 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -0.857 -8.171 -0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -1.144 -11.560 1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -0.627 -11.184 2.700 1.00 0.00 H new ATOM 1280 N CYS A 107 -1.795 -7.323 -3.008 1.00 0.00 N ATOM 1281 CA CYS A 107 -0.970 -7.227 -4.249 1.00 0.00 C ATOM 1282 C CYS A 107 0.514 -7.162 -3.891 1.00 0.00 C ATOM 1283 O CYS A 107 0.964 -6.253 -3.217 1.00 0.00 O ATOM 1284 CB CYS A 107 -1.415 -5.942 -4.944 1.00 0.00 C ATOM 1285 SG CYS A 107 -2.620 -6.343 -6.235 1.00 0.00 S ATOM 0 H CYS A 107 -1.995 -6.433 -2.551 1.00 0.00 H new ATOM 0 HA CYS A 107 -1.105 -8.095 -4.895 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -1.856 -5.258 -4.219 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -0.554 -5.434 -5.379 1.00 0.00 H new ATOM 1290 N VAL A 108 1.273 -8.126 -4.336 1.00 0.00 N ATOM 1291 CA VAL A 108 2.735 -8.144 -4.026 1.00 0.00 C ATOM 1292 C VAL A 108 3.564 -8.090 -5.317 1.00 0.00 C ATOM 1293 O VAL A 108 3.258 -8.745 -6.293 1.00 0.00 O ATOM 1294 CB VAL A 108 2.983 -9.459 -3.275 1.00 0.00 C ATOM 1295 CG1 VAL A 108 2.088 -9.524 -2.033 1.00 0.00 C ATOM 1296 CG2 VAL A 108 2.674 -10.654 -4.185 1.00 0.00 C ATOM 0 H VAL A 108 0.944 -8.907 -4.904 1.00 0.00 H new ATOM 0 HA VAL A 108 3.030 -7.280 -3.430 1.00 0.00 H new ATOM 0 HB VAL A 108 4.030 -9.498 -2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.268 -10.460 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.316 -8.685 -1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.042 -9.474 -2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.854 -11.581 -3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.631 -10.613 -4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.318 -10.618 -5.064 1.00 0.00 H new ATOM 1306 N GLY A 109 4.615 -7.314 -5.322 1.00 0.00 N ATOM 1307 CA GLY A 109 5.470 -7.213 -6.545 1.00 0.00 C ATOM 1308 C GLY A 109 6.877 -6.747 -6.164 1.00 0.00 C ATOM 1309 O GLY A 109 7.212 -6.644 -5.001 1.00 0.00 O ATOM 0 H GLY A 109 4.920 -6.745 -4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 109 5.521 -8.181 -7.044 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.025 -6.513 -7.253 1.00 0.00 H new ATOM 1313 N THR A 110 7.703 -6.463 -7.141 1.00 0.00 N ATOM 1314 CA THR A 110 9.096 -6.001 -6.837 1.00 0.00 C ATOM 1315 C THR A 110 9.402 -4.695 -7.580 1.00 0.00 C ATOM 1316 O THR A 110 9.121 -4.557 -8.756 1.00 0.00 O ATOM 1317 CB THR A 110 10.028 -7.125 -7.314 1.00 0.00 C ATOM 1318 OG1 THR A 110 9.859 -7.336 -8.713 1.00 0.00 O ATOM 1319 CG2 THR A 110 9.717 -8.417 -6.555 1.00 0.00 C ATOM 0 H THR A 110 7.475 -6.530 -8.133 1.00 0.00 H new ATOM 0 HA THR A 110 9.227 -5.800 -5.774 1.00 0.00 H new ATOM 0 HB THR A 110 11.061 -6.835 -7.119 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.539 -6.510 -9.132 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.382 -9.210 -6.898 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.865 -8.256 -5.487 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.682 -8.706 -6.738 1.00 0.00 H new ATOM 1327 N VAL A 111 9.977 -3.735 -6.897 1.00 0.00 N ATOM 1328 CA VAL A 111 10.305 -2.428 -7.551 1.00 0.00 C ATOM 1329 C VAL A 111 11.581 -1.829 -6.943 1.00 0.00 C ATOM 1330 O VAL A 111 11.751 -1.808 -5.741 1.00 0.00 O ATOM 1331 CB VAL A 111 9.102 -1.514 -7.272 1.00 0.00 C ATOM 1332 CG1 VAL A 111 7.918 -1.938 -8.146 1.00 0.00 C ATOM 1333 CG2 VAL A 111 8.697 -1.610 -5.792 1.00 0.00 C ATOM 0 H VAL A 111 10.234 -3.800 -5.912 1.00 0.00 H new ATOM 0 HA VAL A 111 10.485 -2.547 -8.619 1.00 0.00 H new ATOM 0 HB VAL A 111 9.381 -0.486 -7.503 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.067 -1.288 -7.946 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.195 -1.859 -9.197 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.648 -2.969 -7.918 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.844 -0.958 -5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 111 8.427 -2.639 -5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.533 -1.301 -5.165 1.00 0.00 H new ATOM 1343 N THR A 112 12.476 -1.344 -7.765 1.00 0.00 N ATOM 1344 CA THR A 112 13.748 -0.744 -7.229 1.00 0.00 C ATOM 1345 C THR A 112 13.450 0.550 -6.455 1.00 0.00 C ATOM 1346 O THR A 112 12.506 1.258 -6.748 1.00 0.00 O ATOM 1347 CB THR A 112 14.631 -0.456 -8.457 1.00 0.00 C ATOM 1348 OG1 THR A 112 15.760 0.311 -8.057 1.00 0.00 O ATOM 1349 CG2 THR A 112 13.841 0.321 -9.513 1.00 0.00 C ATOM 0 H THR A 112 12.387 -1.335 -8.781 1.00 0.00 H new ATOM 0 HA THR A 112 14.246 -1.419 -6.533 1.00 0.00 H new ATOM 0 HB THR A 112 14.957 -1.404 -8.886 1.00 0.00 H new ATOM 0 HG1 THR A 112 16.324 0.494 -8.837 1.00 0.00 H new ATOM 0 HG21 THR A 112 14.480 0.516 -10.374 1.00 0.00 H new ATOM 0 HG22 THR A 112 12.978 -0.266 -9.827 1.00 0.00 H new ATOM 0 HG23 THR A 112 13.502 1.267 -9.091 1.00 0.00 H new ATOM 1357 N LEU A 113 14.255 0.856 -5.465 1.00 0.00 N ATOM 1358 CA LEU A 113 14.029 2.097 -4.661 1.00 0.00 C ATOM 1359 C LEU A 113 14.792 3.290 -5.260 1.00 0.00 C ATOM 1360 O LEU A 113 14.491 4.430 -4.962 1.00 0.00 O ATOM 1361 CB LEU A 113 14.560 1.768 -3.265 1.00 0.00 C ATOM 1362 CG LEU A 113 13.832 2.622 -2.225 1.00 0.00 C ATOM 1363 CD1 LEU A 113 12.463 2.005 -1.913 1.00 0.00 C ATOM 1364 CD2 LEU A 113 14.668 2.686 -0.945 1.00 0.00 C ATOM 0 H LEU A 113 15.060 0.298 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 113 12.977 2.381 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 113 14.413 0.710 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 113 15.633 1.957 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 113 13.690 3.628 -2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.949 2.617 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.867 1.962 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 113 12.599 0.997 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.151 3.294 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 113 14.811 1.679 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 113 15.638 3.131 -1.166 1.00 0.00 H new ATOM 1376 N ASP A 114 15.776 3.040 -6.094 1.00 0.00 N ATOM 1377 CA ASP A 114 16.551 4.163 -6.706 1.00 0.00 C ATOM 1378 C ASP A 114 15.636 5.013 -7.595 1.00 0.00 C ATOM 1379 O ASP A 114 15.715 6.226 -7.597 1.00 0.00 O ATOM 1380 CB ASP A 114 17.644 3.492 -7.545 1.00 0.00 C ATOM 1381 CG ASP A 114 18.882 3.248 -6.677 1.00 0.00 C ATOM 1382 OD1 ASP A 114 18.833 2.356 -5.849 1.00 0.00 O ATOM 1383 OD2 ASP A 114 19.855 3.959 -6.855 1.00 0.00 O ATOM 0 H ASP A 114 16.074 2.106 -6.376 1.00 0.00 H new ATOM 0 HA ASP A 114 16.973 4.828 -5.953 1.00 0.00 H new ATOM 0 HB2 ASP A 114 17.278 2.548 -7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.902 4.123 -8.395 1.00 0.00 H new ATOM 1388 N GLN A 115 14.766 4.382 -8.343 1.00 0.00 N ATOM 1389 CA GLN A 115 13.835 5.137 -9.228 1.00 0.00 C ATOM 1390 C GLN A 115 12.551 4.329 -9.438 1.00 0.00 C ATOM 1391 O GLN A 115 12.590 3.170 -9.806 1.00 0.00 O ATOM 1392 CB GLN A 115 14.588 5.330 -10.555 1.00 0.00 C ATOM 1393 CG GLN A 115 15.124 3.986 -11.068 1.00 0.00 C ATOM 1394 CD GLN A 115 15.722 4.172 -12.463 1.00 0.00 C ATOM 1395 OE1 GLN A 115 15.082 3.882 -13.455 1.00 0.00 O ATOM 1396 NE2 GLN A 115 16.935 4.642 -12.585 1.00 0.00 N ATOM 0 H GLN A 115 14.662 3.368 -8.377 1.00 0.00 H new ATOM 0 HA GLN A 115 13.544 6.096 -8.800 1.00 0.00 H new ATOM 0 HB2 GLN A 115 13.922 5.770 -11.297 1.00 0.00 H new ATOM 0 HB3 GLN A 115 15.413 6.028 -10.414 1.00 0.00 H new ATOM 0 HG2 GLN A 115 15.881 3.600 -10.385 1.00 0.00 H new ATOM 0 HG3 GLN A 115 14.320 3.251 -11.101 1.00 0.00 H new ATOM 0 HE21 GLN A 115 17.473 4.886 -11.754 1.00 0.00 H new ATOM 0 HE22 GLN A 115 17.343 4.765 -13.512 1.00 0.00 H new ATOM 1405 N ILE A 116 11.415 4.932 -9.200 1.00 0.00 N ATOM 1406 CA ILE A 116 10.123 4.201 -9.382 1.00 0.00 C ATOM 1407 C ILE A 116 9.961 3.813 -10.858 1.00 0.00 C ATOM 1408 O ILE A 116 9.762 4.656 -11.713 1.00 0.00 O ATOM 1409 CB ILE A 116 9.031 5.187 -8.945 1.00 0.00 C ATOM 1410 CG1 ILE A 116 9.213 5.526 -7.460 1.00 0.00 C ATOM 1411 CG2 ILE A 116 7.651 4.557 -9.155 1.00 0.00 C ATOM 1412 CD1 ILE A 116 8.934 7.013 -7.234 1.00 0.00 C ATOM 0 H ILE A 116 11.325 5.899 -8.888 1.00 0.00 H new ATOM 0 HA ILE A 116 10.074 3.281 -8.800 1.00 0.00 H new ATOM 0 HB ILE A 116 9.108 6.096 -9.541 1.00 0.00 H new ATOM 0 HG12 ILE A 116 8.537 4.923 -6.854 1.00 0.00 H new ATOM 0 HG13 ILE A 116 10.227 5.284 -7.143 1.00 0.00 H new ATOM 0 HG21 ILE A 116 6.879 5.260 -8.843 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.518 4.316 -10.210 1.00 0.00 H new ATOM 0 HG23 ILE A 116 7.573 3.646 -8.562 1.00 0.00 H new ATOM 0 HD11 ILE A 116 9.064 7.251 -6.178 1.00 0.00 H new ATOM 0 HD12 ILE A 116 9.628 7.608 -7.828 1.00 0.00 H new ATOM 0 HD13 ILE A 116 7.911 7.241 -7.534 1.00 0.00 H new ATOM 1424 N LYS A 117 10.064 2.543 -11.159 1.00 0.00 N ATOM 1425 CA LYS A 117 9.936 2.093 -12.579 1.00 0.00 C ATOM 1426 C LYS A 117 8.496 1.674 -12.896 1.00 0.00 C ATOM 1427 O LYS A 117 7.752 1.258 -12.026 1.00 0.00 O ATOM 1428 CB LYS A 117 10.885 0.898 -12.708 1.00 0.00 C ATOM 1429 CG LYS A 117 12.182 1.343 -13.392 1.00 0.00 C ATOM 1430 CD LYS A 117 12.768 0.177 -14.192 1.00 0.00 C ATOM 1431 CE LYS A 117 13.794 -0.572 -13.333 1.00 0.00 C ATOM 1432 NZ LYS A 117 14.612 -1.362 -14.297 1.00 0.00 N ATOM 0 H LYS A 117 10.231 1.798 -10.483 1.00 0.00 H new ATOM 0 HA LYS A 117 10.184 2.892 -13.278 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.104 0.487 -11.723 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.411 0.105 -13.286 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.985 2.188 -14.052 1.00 0.00 H new ATOM 0 HG3 LYS A 117 12.900 1.682 -12.646 1.00 0.00 H new ATOM 0 HD2 LYS A 117 11.973 -0.501 -14.501 1.00 0.00 H new ATOM 0 HD3 LYS A 117 13.241 0.548 -15.101 1.00 0.00 H new ATOM 0 HE2 LYS A 117 14.415 0.122 -12.767 1.00 0.00 H new ATOM 0 HE3 LYS A 117 13.302 -1.222 -12.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 15.335 -1.900 -13.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 13.997 -2.020 -14.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 15.075 -0.717 -14.969 1.00 0.00 H new ATOM 1446 N ASP A 118 8.109 1.782 -14.142 1.00 0.00 N ATOM 1447 CA ASP A 118 6.727 1.396 -14.552 1.00 0.00 C ATOM 1448 C ASP A 118 6.786 0.508 -15.806 1.00 0.00 C ATOM 1449 O ASP A 118 7.653 0.690 -16.641 1.00 0.00 O ATOM 1450 CB ASP A 118 6.030 2.726 -14.861 1.00 0.00 C ATOM 1451 CG ASP A 118 4.515 2.523 -14.917 1.00 0.00 C ATOM 1452 OD1 ASP A 118 3.889 2.593 -13.872 1.00 0.00 O ATOM 1453 OD2 ASP A 118 4.006 2.301 -16.003 1.00 0.00 O ATOM 0 H ASP A 118 8.699 2.125 -14.900 1.00 0.00 H new ATOM 0 HA ASP A 118 6.200 0.829 -13.785 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.278 3.462 -14.097 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.388 3.121 -15.812 1.00 0.00 H new ATOM 1458 N PRO A 119 5.866 -0.429 -15.909 1.00 0.00 N ATOM 1459 CA PRO A 119 4.819 -0.626 -14.871 1.00 0.00 C ATOM 1460 C PRO A 119 5.380 -1.372 -13.652 1.00 0.00 C ATOM 1461 O PRO A 119 6.511 -1.824 -13.652 1.00 0.00 O ATOM 1462 CB PRO A 119 3.772 -1.479 -15.580 1.00 0.00 C ATOM 1463 CG PRO A 119 4.515 -2.206 -16.656 1.00 0.00 C ATOM 1464 CD PRO A 119 5.725 -1.383 -17.015 1.00 0.00 C ATOM 0 HA PRO A 119 4.424 0.316 -14.490 1.00 0.00 H new ATOM 0 HB2 PRO A 119 3.300 -2.177 -14.888 1.00 0.00 H new ATOM 0 HB3 PRO A 119 2.979 -0.860 -15.999 1.00 0.00 H new ATOM 0 HG2 PRO A 119 4.814 -3.196 -16.312 1.00 0.00 H new ATOM 0 HG3 PRO A 119 3.879 -2.351 -17.529 1.00 0.00 H new ATOM 0 HD2 PRO A 119 6.613 -2.007 -17.116 1.00 0.00 H new ATOM 0 HD3 PRO A 119 5.587 -0.869 -17.966 1.00 0.00 H new ATOM 1472 N LEU A 120 4.584 -1.519 -12.623 1.00 0.00 N ATOM 1473 CA LEU A 120 5.049 -2.253 -11.406 1.00 0.00 C ATOM 1474 C LEU A 120 4.580 -3.709 -11.480 1.00 0.00 C ATOM 1475 O LEU A 120 3.405 -4.008 -11.371 1.00 0.00 O ATOM 1476 CB LEU A 120 4.452 -1.518 -10.186 1.00 0.00 C ATOM 1477 CG LEU A 120 2.951 -1.249 -10.371 1.00 0.00 C ATOM 1478 CD1 LEU A 120 2.233 -1.410 -9.029 1.00 0.00 C ATOM 1479 CD2 LEU A 120 2.744 0.182 -10.878 1.00 0.00 C ATOM 0 H LEU A 120 3.630 -1.162 -12.573 1.00 0.00 H new ATOM 0 HA LEU A 120 6.136 -2.270 -11.328 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.608 -2.115 -9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.976 -0.574 -10.036 1.00 0.00 H new ATOM 0 HG LEU A 120 2.547 -1.958 -11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 120 1.168 -1.219 -9.161 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.376 -2.425 -8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.642 -0.701 -8.310 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.679 0.371 -11.009 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.152 0.887 -10.154 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.255 0.307 -11.833 1.00 0.00 H new ATOM 1491 N ASP A 121 5.506 -4.610 -11.699 1.00 0.00 N ATOM 1492 CA ASP A 121 5.159 -6.060 -11.822 1.00 0.00 C ATOM 1493 C ASP A 121 4.709 -6.634 -10.474 1.00 0.00 C ATOM 1494 O ASP A 121 5.472 -7.266 -9.765 1.00 0.00 O ATOM 1495 CB ASP A 121 6.451 -6.735 -12.295 1.00 0.00 C ATOM 1496 CG ASP A 121 6.724 -6.365 -13.757 1.00 0.00 C ATOM 1497 OD1 ASP A 121 7.056 -5.216 -14.009 1.00 0.00 O ATOM 1498 OD2 ASP A 121 6.599 -7.236 -14.600 1.00 0.00 O ATOM 0 H ASP A 121 6.499 -4.400 -11.799 1.00 0.00 H new ATOM 0 HA ASP A 121 4.332 -6.223 -12.513 1.00 0.00 H new ATOM 0 HB2 ASP A 121 7.286 -6.422 -11.669 1.00 0.00 H new ATOM 0 HB3 ASP A 121 6.365 -7.817 -12.194 1.00 0.00 H new ATOM 1503 N ILE A 122 3.469 -6.420 -10.124 1.00 0.00 N ATOM 1504 CA ILE A 122 2.945 -6.953 -8.830 1.00 0.00 C ATOM 1505 C ILE A 122 1.751 -7.884 -9.087 1.00 0.00 C ATOM 1506 O ILE A 122 0.948 -7.651 -9.971 1.00 0.00 O ATOM 1507 CB ILE A 122 2.523 -5.721 -8.011 1.00 0.00 C ATOM 1508 CG1 ILE A 122 1.304 -5.048 -8.654 1.00 0.00 C ATOM 1509 CG2 ILE A 122 3.679 -4.715 -7.947 1.00 0.00 C ATOM 1510 CD1 ILE A 122 0.032 -5.504 -7.934 1.00 0.00 C ATOM 0 H ILE A 122 2.793 -5.897 -10.680 1.00 0.00 H new ATOM 0 HA ILE A 122 3.692 -7.540 -8.296 1.00 0.00 H new ATOM 0 HB ILE A 122 2.265 -6.046 -7.003 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.400 -3.964 -8.594 1.00 0.00 H new ATOM 0 HG13 ILE A 122 1.248 -5.305 -9.712 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.373 -3.845 -7.366 1.00 0.00 H new ATOM 0 HG22 ILE A 122 4.542 -5.182 -7.473 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.945 -4.401 -8.957 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.835 -5.026 -8.390 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.065 -6.587 -8.017 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.089 -5.224 -6.882 1.00 0.00 H new ATOM 1522 N THR A 123 1.633 -8.938 -8.321 1.00 0.00 N ATOM 1523 CA THR A 123 0.498 -9.892 -8.513 1.00 0.00 C ATOM 1524 C THR A 123 -0.382 -9.924 -7.256 1.00 0.00 C ATOM 1525 O THR A 123 0.106 -9.841 -6.146 1.00 0.00 O ATOM 1526 CB THR A 123 1.156 -11.258 -8.747 1.00 0.00 C ATOM 1527 OG1 THR A 123 2.097 -11.160 -9.812 1.00 0.00 O ATOM 1528 CG2 THR A 123 0.086 -12.290 -9.111 1.00 0.00 C ATOM 0 H THR A 123 2.276 -9.180 -7.568 1.00 0.00 H new ATOM 0 HA THR A 123 -0.145 -9.606 -9.345 1.00 0.00 H new ATOM 0 HB THR A 123 1.667 -11.570 -7.836 1.00 0.00 H new ATOM 0 HG1 THR A 123 2.517 -12.033 -9.959 1.00 0.00 H new ATOM 0 HG21 THR A 123 0.557 -13.259 -9.277 1.00 0.00 H new ATOM 0 HG22 THR A 123 -0.634 -12.371 -8.296 1.00 0.00 H new ATOM 0 HG23 THR A 123 -0.428 -11.976 -10.020 1.00 0.00 H new ATOM 1536 N CYS A 124 -1.676 -10.047 -7.425 1.00 0.00 N ATOM 1537 CA CYS A 124 -2.588 -10.086 -6.241 1.00 0.00 C ATOM 1538 C CYS A 124 -3.127 -11.498 -6.026 1.00 0.00 C ATOM 1539 O CYS A 124 -3.367 -12.232 -6.968 1.00 0.00 O ATOM 1540 CB CYS A 124 -3.741 -9.140 -6.582 1.00 0.00 C ATOM 1541 SG CYS A 124 -3.785 -7.767 -5.401 1.00 0.00 S ATOM 0 H CYS A 124 -2.139 -10.122 -8.331 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.069 -9.793 -5.328 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -3.620 -8.756 -7.595 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -4.686 -9.682 -6.558 1.00 0.00 H new ATOM 1546 N ASN A 125 -3.332 -11.881 -4.792 1.00 0.00 N ATOM 1547 CA ASN A 125 -3.871 -13.244 -4.516 1.00 0.00 C ATOM 1548 C ASN A 125 -4.939 -13.194 -3.408 1.00 0.00 C ATOM 1549 O ASN A 125 -4.807 -13.832 -2.382 1.00 0.00 O ATOM 1550 CB ASN A 125 -2.658 -14.095 -4.100 1.00 0.00 C ATOM 1551 CG ASN A 125 -1.944 -13.476 -2.889 1.00 0.00 C ATOM 1552 OD1 ASN A 125 -1.416 -12.383 -2.968 1.00 0.00 O ATOM 1553 ND2 ASN A 125 -1.900 -14.139 -1.765 1.00 0.00 N ATOM 0 H ASN A 125 -3.150 -11.310 -3.967 1.00 0.00 H new ATOM 0 HA ASN A 125 -4.365 -13.671 -5.389 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -2.984 -15.106 -3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -1.962 -14.176 -4.935 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -1.424 -13.740 -0.956 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -2.342 -15.056 -1.696 1.00 0.00 H new ATOM 1560 N GLU A 126 -5.999 -12.439 -3.645 1.00 0.00 N ATOM 1561 CA GLU A 126 -7.144 -12.290 -2.666 1.00 0.00 C ATOM 1562 C GLU A 126 -6.807 -12.797 -1.251 1.00 0.00 C ATOM 1563 O GLU A 126 -7.183 -13.889 -0.860 1.00 0.00 O ATOM 1564 CB GLU A 126 -8.309 -13.092 -3.269 1.00 0.00 C ATOM 1565 CG GLU A 126 -7.846 -14.499 -3.675 1.00 0.00 C ATOM 1566 CD GLU A 126 -7.884 -14.625 -5.200 1.00 0.00 C ATOM 1567 OE1 GLU A 126 -8.922 -15.005 -5.717 1.00 0.00 O ATOM 1568 OE2 GLU A 126 -6.876 -14.337 -5.824 1.00 0.00 O ATOM 0 H GLU A 126 -6.122 -11.903 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 126 -7.386 -11.236 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -9.120 -13.165 -2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -8.705 -12.569 -4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -6.836 -14.681 -3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -8.490 -15.251 -3.220 1.00 0.00 H new