USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 440 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 61 LYS NZ :NH3+ -146:sc= 0.517 (180deg=0) USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 102 GLN : amide:sc= -1.3 X(o=-0.79,f=-1.2) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -4:sc= 1.12 USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= 1.22 (180deg=0.465) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 154:sc= -0.106 (180deg=-0.677) USER MOD Single : A 77 THR OG1 : rot -23:sc= 0.302 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -42:sc= 0.588 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0339 USER MOD Single : A 87 GLN : amide:sc= 0.313 K(o=0.31,f=-0.65) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.217 K(o=-0.22,f=-2.1!) USER MOD Single : A 100 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.6) USER MOD Single : A 101 GLN :FLIP amide:sc= -0.778 F(o=-2.2!,f=-0.78) USER MOD Single : A 104 MET CE :methyl -164:sc= -0.0704 (180deg=-0.451) USER MOD Single : A 105 ASN :FLIP amide:sc= -0.0069 F(o=-1.2,f=-0.0069) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 49 19.285 -3.559 -7.269 1.00 0.00 N ATOM 2 CA GLY A 49 20.734 -3.251 -7.345 1.00 0.00 C ATOM 3 C GLY A 49 21.206 -2.526 -6.105 1.00 0.00 C ATOM 4 O GLY A 49 22.026 -3.038 -5.345 1.00 0.00 O ATOM 0 HA2 GLY A 49 21.299 -4.175 -7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.932 -2.639 -8.225 1.00 0.00 H new ATOM 10 N LEU A 50 20.683 -1.332 -5.898 1.00 0.00 N ATOM 11 CA LEU A 50 20.905 -0.611 -4.661 1.00 0.00 C ATOM 12 C LEU A 50 19.736 -0.882 -3.731 1.00 0.00 C ATOM 13 O LEU A 50 18.681 -0.263 -3.859 1.00 0.00 O ATOM 14 CB LEU A 50 21.052 0.899 -4.908 1.00 0.00 C ATOM 15 CG LEU A 50 22.405 1.360 -5.468 1.00 0.00 C ATOM 16 CD1 LEU A 50 23.542 0.873 -4.582 1.00 0.00 C ATOM 17 CD2 LEU A 50 22.601 0.886 -6.901 1.00 0.00 C ATOM 0 H LEU A 50 20.099 -0.840 -6.574 1.00 0.00 H new ATOM 0 HA LEU A 50 21.835 -0.955 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 50 20.269 1.212 -5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 50 20.874 1.420 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 50 22.411 2.450 -5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.494 1.209 -4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.419 1.277 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.529 -0.216 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.568 1.229 -7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.566 -0.203 -6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 50 21.809 1.292 -7.530 1.00 0.00 H new ATOM 29 N GLU A 51 19.919 -1.824 -2.813 1.00 0.00 N ATOM 30 CA GLU A 51 18.847 -2.248 -1.918 1.00 0.00 C ATOM 31 C GLU A 51 18.618 -1.211 -0.823 1.00 0.00 C ATOM 32 O GLU A 51 18.660 -1.508 0.369 1.00 0.00 O ATOM 33 CB GLU A 51 19.176 -3.611 -1.309 1.00 0.00 C ATOM 34 CG GLU A 51 19.629 -4.640 -2.337 1.00 0.00 C ATOM 35 CD GLU A 51 18.680 -4.774 -3.516 1.00 0.00 C ATOM 36 OE1 GLU A 51 17.545 -5.261 -3.327 1.00 0.00 O ATOM 37 OE2 GLU A 51 19.075 -4.411 -4.648 1.00 0.00 O ATOM 0 H GLU A 51 20.803 -2.311 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 51 17.928 -2.339 -2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.959 -3.487 -0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.296 -3.990 -0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.617 -4.364 -2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.730 -5.610 -1.849 1.00 0.00 H new ATOM 44 N TYR A 52 18.387 0.011 -1.259 1.00 0.00 N ATOM 45 CA TYR A 52 18.144 1.129 -0.376 1.00 0.00 C ATOM 46 C TYR A 52 16.906 1.856 -0.842 1.00 0.00 C ATOM 47 O TYR A 52 16.983 2.787 -1.644 1.00 0.00 O ATOM 48 CB TYR A 52 19.326 2.085 -0.389 1.00 0.00 C ATOM 49 CG TYR A 52 20.591 1.499 0.196 1.00 0.00 C ATOM 50 CD1 TYR A 52 21.499 0.809 -0.601 1.00 0.00 C ATOM 51 CD2 TYR A 52 20.877 1.630 1.549 1.00 0.00 C ATOM 52 CE1 TYR A 52 22.650 0.266 -0.064 1.00 0.00 C ATOM 53 CE2 TYR A 52 22.027 1.093 2.090 1.00 0.00 C ATOM 54 CZ TYR A 52 22.910 0.413 1.281 1.00 0.00 C ATOM 55 OH TYR A 52 24.052 -0.131 1.822 1.00 0.00 O ATOM 0 H TYR A 52 18.363 0.256 -2.249 1.00 0.00 H new ATOM 0 HA TYR A 52 18.007 0.760 0.640 1.00 0.00 H new ATOM 0 HB2 TYR A 52 19.521 2.393 -1.416 1.00 0.00 H new ATOM 0 HB3 TYR A 52 19.061 2.983 0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 52 21.301 0.696 -1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 52 20.187 2.161 2.188 1.00 0.00 H new ATOM 0 HE1 TYR A 52 23.343 -0.271 -0.695 1.00 0.00 H new ATOM 0 HE2 TYR A 52 22.234 1.205 3.144 1.00 0.00 H new ATOM 0 HH TYR A 52 24.084 0.064 2.782 1.00 0.00 H new ATOM 65 N ALA A 53 15.765 1.430 -0.357 1.00 0.00 N ATOM 66 CA ALA A 53 14.522 1.922 -0.890 1.00 0.00 C ATOM 67 C ALA A 53 13.516 2.200 0.204 1.00 0.00 C ATOM 68 O ALA A 53 13.491 1.524 1.233 1.00 0.00 O ATOM 69 CB ALA A 53 13.982 0.926 -1.889 1.00 0.00 C ATOM 0 H ALA A 53 15.673 0.751 0.398 1.00 0.00 H new ATOM 0 HA ALA A 53 14.707 2.871 -1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.040 1.293 -2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.701 0.796 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.815 -0.031 -1.395 1.00 0.00 H new ATOM 75 N VAL A 54 12.682 3.194 -0.037 1.00 0.00 N ATOM 76 CA VAL A 54 11.703 3.636 0.936 1.00 0.00 C ATOM 77 C VAL A 54 10.339 3.676 0.278 1.00 0.00 C ATOM 78 O VAL A 54 10.223 4.058 -0.889 1.00 0.00 O ATOM 79 CB VAL A 54 12.041 5.039 1.492 1.00 0.00 C ATOM 80 CG1 VAL A 54 11.088 5.424 2.615 1.00 0.00 C ATOM 81 CG2 VAL A 54 13.485 5.098 1.968 1.00 0.00 C ATOM 0 H VAL A 54 12.665 3.717 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 54 11.710 2.934 1.770 1.00 0.00 H new ATOM 0 HB VAL A 54 11.919 5.759 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 54 11.347 6.415 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.066 5.435 2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.168 4.699 3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.700 6.094 2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 54 13.639 4.361 2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 54 14.152 4.881 1.134 1.00 0.00 H new ATOM 91 N ALA A 55 9.320 3.250 1.003 1.00 0.00 N ATOM 92 CA ALA A 55 7.969 3.265 0.488 1.00 0.00 C ATOM 93 C ALA A 55 7.492 4.700 0.281 1.00 0.00 C ATOM 94 O ALA A 55 7.348 5.463 1.234 1.00 0.00 O ATOM 95 CB ALA A 55 7.050 2.517 1.436 1.00 0.00 C ATOM 0 H ALA A 55 9.407 2.889 1.953 1.00 0.00 H new ATOM 0 HA ALA A 55 7.950 2.765 -0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.033 2.531 1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.388 1.485 1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.068 2.997 2.415 1.00 0.00 H new ATOM 101 N GLU A 56 7.286 5.059 -0.977 1.00 0.00 N ATOM 102 CA GLU A 56 6.816 6.386 -1.352 1.00 0.00 C ATOM 103 C GLU A 56 5.351 6.567 -0.982 1.00 0.00 C ATOM 104 O GLU A 56 4.992 7.482 -0.247 1.00 0.00 O ATOM 105 CB GLU A 56 6.978 6.584 -2.860 1.00 0.00 C ATOM 106 CG GLU A 56 8.421 6.586 -3.330 1.00 0.00 C ATOM 107 CD GLU A 56 9.098 7.917 -3.099 1.00 0.00 C ATOM 108 OE1 GLU A 56 9.556 8.171 -1.966 1.00 0.00 O ATOM 109 OE2 GLU A 56 9.173 8.714 -4.056 1.00 0.00 O ATOM 0 H GLU A 56 7.440 4.437 -1.770 1.00 0.00 H new ATOM 0 HA GLU A 56 7.410 7.123 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.438 5.793 -3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.513 7.528 -3.144 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.972 5.805 -2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.455 6.343 -4.392 1.00 0.00 H new ATOM 116 N SER A 57 4.514 5.677 -1.499 1.00 0.00 N ATOM 117 CA SER A 57 3.072 5.731 -1.283 1.00 0.00 C ATOM 118 C SER A 57 2.421 4.441 -1.758 1.00 0.00 C ATOM 119 O SER A 57 3.068 3.598 -2.386 1.00 0.00 O ATOM 120 CB SER A 57 2.443 6.905 -2.046 1.00 0.00 C ATOM 121 OG SER A 57 2.838 8.161 -1.522 1.00 0.00 O ATOM 0 H SER A 57 4.815 4.896 -2.081 1.00 0.00 H new ATOM 0 HA SER A 57 2.904 5.865 -0.214 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.727 6.847 -3.097 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.357 6.822 -2.005 1.00 0.00 H new ATOM 0 HG SER A 57 3.394 8.023 -0.727 1.00 0.00 H new ATOM 127 N VAL A 58 1.141 4.298 -1.458 1.00 0.00 N ATOM 128 CA VAL A 58 0.360 3.166 -1.933 1.00 0.00 C ATOM 129 C VAL A 58 -0.547 3.608 -3.074 1.00 0.00 C ATOM 130 O VAL A 58 -1.222 4.630 -2.965 1.00 0.00 O ATOM 131 CB VAL A 58 -0.500 2.575 -0.800 1.00 0.00 C ATOM 132 CG1 VAL A 58 -1.355 1.432 -1.315 1.00 0.00 C ATOM 133 CG2 VAL A 58 0.377 2.112 0.351 1.00 0.00 C ATOM 0 H VAL A 58 0.616 4.957 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 58 1.051 2.399 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.164 3.357 -0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.954 1.029 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.014 1.797 -2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.712 0.648 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.249 1.698 1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.068 1.347 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.942 2.959 0.742 1.00 0.00 H new ATOM 143 N ILE A 59 -0.556 2.855 -4.169 1.00 0.00 N ATOM 144 CA ILE A 59 -1.374 3.231 -5.324 1.00 0.00 C ATOM 145 C ILE A 59 -2.337 2.113 -5.721 1.00 0.00 C ATOM 146 O ILE A 59 -3.210 2.303 -6.568 1.00 0.00 O ATOM 147 CB ILE A 59 -0.518 3.629 -6.559 1.00 0.00 C ATOM 148 CG1 ILE A 59 0.045 2.400 -7.294 1.00 0.00 C ATOM 149 CG2 ILE A 59 0.615 4.559 -6.147 1.00 0.00 C ATOM 150 CD1 ILE A 59 0.963 1.538 -6.463 1.00 0.00 C ATOM 0 H ILE A 59 -0.018 1.996 -4.284 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.945 4.104 -5.007 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.177 4.152 -7.251 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.787 1.789 -7.644 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.586 2.738 -8.178 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.203 4.827 -7.025 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.200 5.462 -5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.254 4.055 -5.422 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.312 0.696 -7.061 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.818 2.129 -6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.423 1.166 -5.592 1.00 0.00 H new ATOM 162 N GLY A 60 -2.184 0.954 -5.101 1.00 0.00 N ATOM 163 CA GLY A 60 -3.029 -0.172 -5.435 1.00 0.00 C ATOM 164 C GLY A 60 -3.578 -0.851 -4.201 1.00 0.00 C ATOM 165 O GLY A 60 -2.905 -0.899 -3.172 1.00 0.00 O ATOM 0 H GLY A 60 -1.492 0.773 -4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.855 0.167 -6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.459 -0.892 -6.022 1.00 0.00 H new ATOM 169 N LYS A 61 -4.790 -1.370 -4.302 1.00 0.00 N ATOM 170 CA LYS A 61 -5.450 -2.006 -3.173 1.00 0.00 C ATOM 171 C LYS A 61 -6.210 -3.243 -3.623 1.00 0.00 C ATOM 172 O LYS A 61 -7.030 -3.170 -4.539 1.00 0.00 O ATOM 173 CB LYS A 61 -6.436 -1.029 -2.531 1.00 0.00 C ATOM 174 CG LYS A 61 -7.075 -1.539 -1.251 1.00 0.00 C ATOM 175 CD LYS A 61 -8.287 -0.704 -0.878 1.00 0.00 C ATOM 176 CE LYS A 61 -9.478 -1.083 -1.737 1.00 0.00 C ATOM 177 NZ LYS A 61 -10.616 -0.134 -1.601 1.00 0.00 N ATOM 0 H LYS A 61 -5.341 -1.363 -5.161 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.686 -2.296 -2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.917 -0.095 -2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.223 -0.799 -3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.371 -2.580 -1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.347 -1.512 -0.441 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.528 -0.853 0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.060 0.354 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.168 -1.123 -2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.812 -2.084 -1.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.513 -0.653 -1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.573 0.329 -0.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.558 0.586 -2.349 1.00 0.00 H new ATOM 191 N ARG A 62 -5.938 -4.374 -2.991 1.00 0.00 N ATOM 192 CA ARG A 62 -6.710 -5.579 -3.253 1.00 0.00 C ATOM 193 C ARG A 62 -7.391 -6.058 -1.985 1.00 0.00 C ATOM 194 O ARG A 62 -6.735 -6.504 -1.046 1.00 0.00 O ATOM 195 CB ARG A 62 -5.844 -6.708 -3.820 1.00 0.00 C ATOM 196 CG ARG A 62 -5.224 -6.405 -5.172 1.00 0.00 C ATOM 197 CD ARG A 62 -6.249 -5.851 -6.144 1.00 0.00 C ATOM 198 NE ARG A 62 -7.454 -6.674 -6.215 1.00 0.00 N ATOM 199 CZ ARG A 62 -8.602 -6.250 -6.732 1.00 0.00 C ATOM 200 NH1 ARG A 62 -8.684 -5.037 -7.262 1.00 0.00 N ATOM 201 NH2 ARG A 62 -9.664 -7.040 -6.715 1.00 0.00 N ATOM 0 H ARG A 62 -5.196 -4.483 -2.300 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.459 -5.319 -4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.047 -6.930 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.453 -7.608 -3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.413 -5.687 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.785 -7.314 -5.584 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.521 -4.839 -5.843 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.803 -5.779 -7.136 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.412 -7.625 -5.848 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.865 -4.429 -7.273 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.566 -4.712 -7.659 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.600 -7.972 -6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.547 -6.717 -7.111 1.00 0.00 H new ATOM 215 N VAL A 63 -8.703 -5.953 -1.962 1.00 0.00 N ATOM 216 CA VAL A 63 -9.493 -6.494 -0.870 1.00 0.00 C ATOM 217 C VAL A 63 -9.999 -7.874 -1.257 1.00 0.00 C ATOM 218 O VAL A 63 -10.614 -8.034 -2.313 1.00 0.00 O ATOM 219 CB VAL A 63 -10.700 -5.591 -0.532 1.00 0.00 C ATOM 220 CG1 VAL A 63 -11.491 -6.159 0.638 1.00 0.00 C ATOM 221 CG2 VAL A 63 -10.243 -4.175 -0.227 1.00 0.00 C ATOM 0 H VAL A 63 -9.250 -5.495 -2.691 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.855 -6.549 0.012 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.353 -5.562 -1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.336 -5.506 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -11.858 -7.153 0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.847 -6.226 1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.109 -3.556 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.563 -4.188 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.728 -3.764 -1.095 1.00 0.00 H new ATOM 231 N GLY A 64 -9.711 -8.875 -0.435 1.00 0.00 N ATOM 232 CA GLY A 64 -10.200 -10.202 -0.730 1.00 0.00 C ATOM 233 C GLY A 64 -11.629 -10.381 -0.273 1.00 0.00 C ATOM 234 O GLY A 64 -11.926 -10.248 0.912 1.00 0.00 O ATOM 0 H GLY A 64 -9.156 -8.792 0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.135 -10.385 -1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.566 -10.941 -0.241 1.00 0.00 H new ATOM 238 N ASP A 65 -12.510 -10.718 -1.206 1.00 0.00 N ATOM 239 CA ASP A 65 -13.929 -10.866 -0.899 1.00 0.00 C ATOM 240 C ASP A 65 -14.203 -12.200 -0.229 1.00 0.00 C ATOM 241 O ASP A 65 -15.224 -12.379 0.436 1.00 0.00 O ATOM 242 CB ASP A 65 -14.776 -10.738 -2.169 1.00 0.00 C ATOM 243 CG ASP A 65 -14.813 -9.323 -2.710 1.00 0.00 C ATOM 244 OD1 ASP A 65 -15.645 -8.522 -2.232 1.00 0.00 O ATOM 245 OD2 ASP A 65 -14.026 -9.011 -3.629 1.00 0.00 O ATOM 0 H ASP A 65 -12.269 -10.894 -2.181 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.204 -10.067 -0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -14.378 -11.404 -2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -15.793 -11.068 -1.957 1.00 0.00 H new ATOM 250 N ASP A 66 -13.272 -13.129 -0.389 1.00 0.00 N ATOM 251 CA ASP A 66 -13.398 -14.454 0.208 1.00 0.00 C ATOM 252 C ASP A 66 -12.920 -14.437 1.653 1.00 0.00 C ATOM 253 O ASP A 66 -12.798 -15.481 2.288 1.00 0.00 O ATOM 254 CB ASP A 66 -12.585 -15.487 -0.582 1.00 0.00 C ATOM 255 CG ASP A 66 -13.084 -15.692 -2.002 1.00 0.00 C ATOM 256 OD1 ASP A 66 -12.635 -14.958 -2.912 1.00 0.00 O ATOM 257 OD2 ASP A 66 -13.899 -16.611 -2.223 1.00 0.00 O ATOM 0 H ASP A 66 -12.418 -12.991 -0.929 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.451 -14.732 0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.543 -15.170 -0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.613 -16.440 -0.054 1.00 0.00 H new ATOM 262 N GLY A 67 -12.655 -13.245 2.171 1.00 0.00 N ATOM 263 CA GLY A 67 -12.130 -13.122 3.515 1.00 0.00 C ATOM 264 C GLY A 67 -10.624 -12.994 3.516 1.00 0.00 C ATOM 265 O GLY A 67 -9.960 -13.324 4.498 1.00 0.00 O ATOM 0 H GLY A 67 -12.795 -12.360 1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -12.570 -12.250 3.999 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.422 -13.993 4.101 1.00 0.00 H new ATOM 269 N LYS A 68 -10.084 -12.520 2.405 1.00 0.00 N ATOM 270 CA LYS A 68 -8.651 -12.363 2.257 1.00 0.00 C ATOM 271 C LYS A 68 -8.205 -11.009 2.790 1.00 0.00 C ATOM 272 O LYS A 68 -8.956 -10.031 2.734 1.00 0.00 O ATOM 273 CB LYS A 68 -8.269 -12.486 0.787 1.00 0.00 C ATOM 274 CG LYS A 68 -6.774 -12.592 0.555 1.00 0.00 C ATOM 275 CD LYS A 68 -6.421 -12.307 -0.891 1.00 0.00 C ATOM 276 CE LYS A 68 -4.951 -12.580 -1.163 1.00 0.00 C ATOM 277 NZ LYS A 68 -4.500 -12.020 -2.466 1.00 0.00 N ATOM 0 H LYS A 68 -10.624 -12.236 1.588 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.154 -13.146 2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.757 -13.365 0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.652 -11.620 0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.252 -11.889 1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.432 -13.591 0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.035 -12.924 -1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.650 -11.267 -1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.351 -12.153 -0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.777 -13.656 -1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.576 -12.426 -2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.194 -12.256 -3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.415 -10.986 -2.389 1.00 0.00 H new ATOM 291 N THR A 69 -6.993 -10.970 3.319 1.00 0.00 N ATOM 292 CA THR A 69 -6.397 -9.741 3.808 1.00 0.00 C ATOM 293 C THR A 69 -6.298 -8.699 2.694 1.00 0.00 C ATOM 294 O THR A 69 -6.029 -9.036 1.542 1.00 0.00 O ATOM 295 CB THR A 69 -4.981 -10.007 4.354 1.00 0.00 C ATOM 296 OG1 THR A 69 -5.000 -11.121 5.257 1.00 0.00 O ATOM 297 CG2 THR A 69 -4.436 -8.777 5.063 1.00 0.00 C ATOM 0 H THR A 69 -6.396 -11.791 3.421 1.00 0.00 H new ATOM 0 HA THR A 69 -7.038 -9.363 4.604 1.00 0.00 H new ATOM 0 HB THR A 69 -4.329 -10.239 3.512 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.095 -11.282 5.597 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.435 -8.988 5.440 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.391 -7.943 4.362 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.090 -8.517 5.895 1.00 0.00 H new ATOM 305 N ILE A 70 -6.529 -7.439 3.043 1.00 0.00 N ATOM 306 CA ILE A 70 -6.400 -6.351 2.087 1.00 0.00 C ATOM 307 C ILE A 70 -4.929 -6.066 1.820 1.00 0.00 C ATOM 308 O ILE A 70 -4.177 -5.717 2.732 1.00 0.00 O ATOM 309 CB ILE A 70 -7.081 -5.056 2.587 1.00 0.00 C ATOM 310 CG1 ILE A 70 -8.555 -5.317 2.906 1.00 0.00 C ATOM 311 CG2 ILE A 70 -6.945 -3.947 1.545 1.00 0.00 C ATOM 312 CD1 ILE A 70 -9.304 -4.084 3.371 1.00 0.00 C ATOM 0 H ILE A 70 -6.806 -7.148 3.980 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.898 -6.666 1.170 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.584 -4.732 3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.045 -5.716 2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.621 -6.084 3.678 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.429 -3.042 1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.889 -3.746 1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.419 -4.261 0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.342 -4.345 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.839 -3.696 4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.270 -3.322 2.592 1.00 0.00 H new ATOM 324 N GLU A 71 -4.530 -6.224 0.572 1.00 0.00 N ATOM 325 CA GLU A 71 -3.150 -6.013 0.177 1.00 0.00 C ATOM 326 C GLU A 71 -2.998 -4.678 -0.521 1.00 0.00 C ATOM 327 O GLU A 71 -3.958 -4.138 -1.075 1.00 0.00 O ATOM 328 CB GLU A 71 -2.691 -7.142 -0.736 1.00 0.00 C ATOM 329 CG GLU A 71 -2.766 -8.493 -0.060 1.00 0.00 C ATOM 330 CD GLU A 71 -2.673 -9.651 -1.028 1.00 0.00 C ATOM 331 OE1 GLU A 71 -3.439 -9.672 -2.016 1.00 0.00 O ATOM 332 OE2 GLU A 71 -1.849 -10.558 -0.795 1.00 0.00 O ATOM 0 H GLU A 71 -5.148 -6.500 -0.191 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.527 -6.007 1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.308 -7.153 -1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.666 -6.954 -1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.960 -8.572 0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.703 -8.564 0.492 1.00 0.00 H new ATOM 339 N TYR A 72 -1.788 -4.155 -0.492 1.00 0.00 N ATOM 340 CA TYR A 72 -1.506 -2.844 -1.056 1.00 0.00 C ATOM 341 C TYR A 72 -0.289 -2.868 -1.958 1.00 0.00 C ATOM 342 O TYR A 72 0.729 -3.475 -1.632 1.00 0.00 O ATOM 343 CB TYR A 72 -1.291 -1.812 0.050 1.00 0.00 C ATOM 344 CG TYR A 72 -2.571 -1.326 0.676 1.00 0.00 C ATOM 345 CD1 TYR A 72 -3.543 -0.710 -0.100 1.00 0.00 C ATOM 346 CD2 TYR A 72 -2.808 -1.479 2.032 1.00 0.00 C ATOM 347 CE1 TYR A 72 -4.718 -0.254 0.463 1.00 0.00 C ATOM 348 CE2 TYR A 72 -3.981 -1.028 2.603 1.00 0.00 C ATOM 349 CZ TYR A 72 -4.932 -0.418 1.815 1.00 0.00 C ATOM 350 OH TYR A 72 -6.101 0.033 2.382 1.00 0.00 O ATOM 0 H TYR A 72 -0.978 -4.619 -0.082 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.374 -2.564 -1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.660 -2.248 0.825 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.750 -0.959 -0.360 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.378 -0.586 -1.160 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.064 -1.958 2.652 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.464 0.228 -0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.152 -1.153 3.662 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.095 -0.161 3.343 1.00 0.00 H new ATOM 360 N LEU A 73 -0.408 -2.199 -3.089 1.00 0.00 N ATOM 361 CA LEU A 73 0.716 -2.020 -3.986 1.00 0.00 C ATOM 362 C LEU A 73 1.506 -0.814 -3.515 1.00 0.00 C ATOM 363 O LEU A 73 1.051 0.333 -3.638 1.00 0.00 O ATOM 364 CB LEU A 73 0.239 -1.815 -5.427 1.00 0.00 C ATOM 365 CG LEU A 73 1.201 -2.305 -6.529 1.00 0.00 C ATOM 366 CD1 LEU A 73 0.645 -1.980 -7.905 1.00 0.00 C ATOM 367 CD2 LEU A 73 2.588 -1.706 -6.376 1.00 0.00 C ATOM 0 H LEU A 73 -1.276 -1.769 -3.409 1.00 0.00 H new ATOM 0 HA LEU A 73 1.343 -2.912 -3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.715 -2.327 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.052 -0.752 -5.580 1.00 0.00 H new ATOM 0 HG LEU A 73 1.290 -3.386 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.337 -2.333 -8.670 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.319 -2.472 -8.033 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.518 -0.902 -8.001 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.234 -2.077 -7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.524 -0.620 -6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.003 -1.991 -5.409 1.00 0.00 H new ATOM 379 N VAL A 74 2.667 -1.083 -2.951 1.00 0.00 N ATOM 380 CA VAL A 74 3.514 -0.038 -2.417 1.00 0.00 C ATOM 381 C VAL A 74 4.556 0.380 -3.444 1.00 0.00 C ATOM 382 O VAL A 74 5.277 -0.459 -3.983 1.00 0.00 O ATOM 383 CB VAL A 74 4.239 -0.494 -1.134 1.00 0.00 C ATOM 384 CG1 VAL A 74 5.013 0.657 -0.516 1.00 0.00 C ATOM 385 CG2 VAL A 74 3.261 -1.079 -0.129 1.00 0.00 C ATOM 0 H VAL A 74 3.046 -2.025 -2.851 1.00 0.00 H new ATOM 0 HA VAL A 74 2.867 0.806 -2.176 1.00 0.00 H new ATOM 0 HB VAL A 74 4.946 -1.276 -1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.517 0.313 0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.754 1.021 -1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.325 1.464 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.801 -1.392 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.521 -0.325 0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.759 -1.940 -0.569 1.00 0.00 H new ATOM 395 N LYS A 75 4.617 1.671 -3.724 1.00 0.00 N ATOM 396 CA LYS A 75 5.646 2.210 -4.594 1.00 0.00 C ATOM 397 C LYS A 75 6.896 2.500 -3.795 1.00 0.00 C ATOM 398 O LYS A 75 6.888 3.362 -2.924 1.00 0.00 O ATOM 399 CB LYS A 75 5.179 3.499 -5.275 1.00 0.00 C ATOM 400 CG LYS A 75 4.251 3.278 -6.451 1.00 0.00 C ATOM 401 CD LYS A 75 4.891 2.393 -7.505 1.00 0.00 C ATOM 402 CE LYS A 75 4.260 2.607 -8.866 1.00 0.00 C ATOM 403 NZ LYS A 75 4.515 3.983 -9.364 1.00 0.00 N ATOM 0 H LYS A 75 3.964 2.365 -3.360 1.00 0.00 H new ATOM 0 HA LYS A 75 5.856 1.465 -5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.672 4.123 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.053 4.054 -5.615 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.324 2.821 -6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.986 4.239 -6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.959 2.605 -7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.788 1.347 -7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.660 1.881 -9.574 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.186 2.433 -8.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.484 3.987 -10.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.787 4.627 -8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.452 4.300 -9.044 1.00 0.00 H new ATOM 417 N TRP A 76 7.957 1.768 -4.063 1.00 0.00 N ATOM 418 CA TRP A 76 9.228 2.055 -3.435 1.00 0.00 C ATOM 419 C TRP A 76 10.049 2.954 -4.350 1.00 0.00 C ATOM 420 O TRP A 76 9.895 2.927 -5.573 1.00 0.00 O ATOM 421 CB TRP A 76 9.964 0.767 -3.078 1.00 0.00 C ATOM 422 CG TRP A 76 9.172 -0.118 -2.157 1.00 0.00 C ATOM 423 CD1 TRP A 76 8.120 -0.921 -2.490 1.00 0.00 C ATOM 424 CD2 TRP A 76 9.365 -0.280 -0.751 1.00 0.00 C ATOM 425 NE1 TRP A 76 7.649 -1.571 -1.379 1.00 0.00 N ATOM 426 CE2 TRP A 76 8.397 -1.194 -0.297 1.00 0.00 C ATOM 427 CE3 TRP A 76 10.263 0.261 0.167 1.00 0.00 C ATOM 428 CZ2 TRP A 76 8.304 -1.578 1.036 1.00 0.00 C ATOM 429 CZ3 TRP A 76 10.170 -0.119 1.490 1.00 0.00 C ATOM 430 CH2 TRP A 76 9.198 -1.033 1.913 1.00 0.00 C ATOM 0 H TRP A 76 7.965 0.976 -4.706 1.00 0.00 H new ATOM 0 HA TRP A 76 9.061 2.585 -2.497 1.00 0.00 H new ATOM 0 HB2 TRP A 76 10.194 0.220 -3.992 1.00 0.00 H new ATOM 0 HB3 TRP A 76 10.915 1.016 -2.607 1.00 0.00 H new ATOM 0 HD1 TRP A 76 7.717 -1.029 -3.486 1.00 0.00 H new ATOM 0 HE1 TRP A 76 6.869 -2.228 -1.362 1.00 0.00 H new ATOM 0 HE3 TRP A 76 11.018 0.965 -0.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 7.553 -2.281 1.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 10.859 0.296 2.211 1.00 0.00 H new ATOM 0 HH2 TRP A 76 9.154 -1.313 2.955 1.00 0.00 H new ATOM 441 N THR A 77 10.900 3.754 -3.744 1.00 0.00 N ATOM 442 CA THR A 77 11.469 4.915 -4.408 1.00 0.00 C ATOM 443 C THR A 77 12.677 4.630 -5.307 1.00 0.00 C ATOM 444 O THR A 77 13.025 5.481 -6.130 1.00 0.00 O ATOM 445 CB THR A 77 11.863 5.976 -3.359 1.00 0.00 C ATOM 446 OG1 THR A 77 12.289 7.187 -3.998 1.00 0.00 O ATOM 447 CG2 THR A 77 12.967 5.462 -2.451 1.00 0.00 C ATOM 0 H THR A 77 11.217 3.622 -2.784 1.00 0.00 H new ATOM 0 HA THR A 77 10.682 5.274 -5.072 1.00 0.00 H new ATOM 0 HB THR A 77 10.981 6.184 -2.753 1.00 0.00 H new ATOM 0 HG1 THR A 77 12.596 6.987 -4.907 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.225 6.230 -1.722 1.00 0.00 H new ATOM 0 HG22 THR A 77 12.623 4.568 -1.931 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.846 5.219 -3.048 1.00 0.00 H new ATOM 455 N ASP A 78 13.319 3.466 -5.197 1.00 0.00 N ATOM 456 CA ASP A 78 14.622 3.321 -5.853 1.00 0.00 C ATOM 457 C ASP A 78 14.487 3.243 -7.375 1.00 0.00 C ATOM 458 O ASP A 78 15.032 4.096 -8.077 1.00 0.00 O ATOM 459 CB ASP A 78 15.385 2.102 -5.330 1.00 0.00 C ATOM 460 CG ASP A 78 16.763 1.981 -5.959 1.00 0.00 C ATOM 461 OD1 ASP A 78 17.688 2.702 -5.525 1.00 0.00 O ATOM 462 OD2 ASP A 78 16.923 1.175 -6.902 1.00 0.00 O ATOM 0 H ASP A 78 12.982 2.648 -4.688 1.00 0.00 H new ATOM 0 HA ASP A 78 15.194 4.216 -5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 78 15.486 2.174 -4.247 1.00 0.00 H new ATOM 0 HB3 ASP A 78 14.811 1.199 -5.537 1.00 0.00 H new ATOM 467 N MET A 79 13.790 2.245 -7.909 1.00 0.00 N ATOM 468 CA MET A 79 13.388 2.303 -9.313 1.00 0.00 C ATOM 469 C MET A 79 12.069 1.573 -9.582 1.00 0.00 C ATOM 470 O MET A 79 11.022 2.190 -9.779 1.00 0.00 O ATOM 471 CB MET A 79 14.489 1.714 -10.200 1.00 0.00 C ATOM 472 CG MET A 79 14.218 1.853 -11.691 1.00 0.00 C ATOM 473 SD MET A 79 14.075 3.573 -12.214 1.00 0.00 S ATOM 474 CE MET A 79 13.860 3.370 -13.981 1.00 0.00 C ATOM 0 H MET A 79 13.497 1.406 -7.408 1.00 0.00 H new ATOM 0 HA MET A 79 13.233 3.355 -9.553 1.00 0.00 H new ATOM 0 HB2 MET A 79 15.433 2.205 -9.965 1.00 0.00 H new ATOM 0 HB3 MET A 79 14.610 0.658 -9.959 1.00 0.00 H new ATOM 0 HG2 MET A 79 15.022 1.373 -12.249 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.298 1.324 -11.940 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.757 4.349 -14.450 1.00 0.00 H new ATOM 0 HE2 MET A 79 14.728 2.858 -14.397 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.964 2.780 -14.173 1.00 0.00 H new ATOM 484 N SER A 80 12.145 0.243 -9.563 1.00 0.00 N ATOM 485 CA SER A 80 11.019 -0.617 -9.923 1.00 0.00 C ATOM 486 C SER A 80 10.559 -1.454 -8.734 1.00 0.00 C ATOM 487 O SER A 80 9.762 -2.381 -8.885 1.00 0.00 O ATOM 488 CB SER A 80 11.417 -1.526 -11.091 1.00 0.00 C ATOM 489 OG SER A 80 10.305 -2.242 -11.598 1.00 0.00 O ATOM 0 H SER A 80 12.987 -0.268 -9.298 1.00 0.00 H new ATOM 0 HA SER A 80 10.185 0.017 -10.225 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.857 -0.925 -11.887 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.183 -2.228 -10.762 1.00 0.00 H new ATOM 0 HG SER A 80 9.756 -2.564 -10.853 1.00 0.00 H new ATOM 495 N ASP A 81 11.066 -1.119 -7.562 1.00 0.00 N ATOM 496 CA ASP A 81 10.954 -1.967 -6.376 1.00 0.00 C ATOM 497 C ASP A 81 9.550 -2.004 -5.770 1.00 0.00 C ATOM 498 O ASP A 81 9.396 -2.377 -4.612 1.00 0.00 O ATOM 499 CB ASP A 81 11.981 -1.529 -5.315 1.00 0.00 C ATOM 500 CG ASP A 81 12.564 -0.146 -5.572 1.00 0.00 C ATOM 501 OD1 ASP A 81 13.220 0.036 -6.620 1.00 0.00 O ATOM 502 OD2 ASP A 81 12.367 0.765 -4.744 1.00 0.00 O ATOM 0 H ASP A 81 11.571 -0.248 -7.399 1.00 0.00 H new ATOM 0 HA ASP A 81 11.165 -2.984 -6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 81 11.505 -1.538 -4.334 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.792 -2.257 -5.283 1.00 0.00 H new ATOM 507 N ALA A 82 8.530 -1.671 -6.561 1.00 0.00 N ATOM 508 CA ALA A 82 7.143 -1.729 -6.101 1.00 0.00 C ATOM 509 C ALA A 82 6.724 -3.169 -5.819 1.00 0.00 C ATOM 510 O ALA A 82 7.028 -4.080 -6.598 1.00 0.00 O ATOM 511 CB ALA A 82 6.207 -1.107 -7.131 1.00 0.00 C ATOM 0 H ALA A 82 8.639 -1.358 -7.526 1.00 0.00 H new ATOM 0 HA ALA A 82 7.074 -1.159 -5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.180 -1.161 -6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.482 -0.064 -7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.289 -1.651 -8.072 1.00 0.00 H new ATOM 517 N THR A 83 6.028 -3.370 -4.711 1.00 0.00 N ATOM 518 CA THR A 83 5.593 -4.697 -4.303 1.00 0.00 C ATOM 519 C THR A 83 4.200 -4.665 -3.690 1.00 0.00 C ATOM 520 O THR A 83 3.802 -3.673 -3.074 1.00 0.00 O ATOM 521 CB THR A 83 6.569 -5.310 -3.278 1.00 0.00 C ATOM 522 OG1 THR A 83 6.975 -4.315 -2.328 1.00 0.00 O ATOM 523 CG2 THR A 83 7.792 -5.902 -3.959 1.00 0.00 C ATOM 0 H THR A 83 5.750 -2.624 -4.073 1.00 0.00 H new ATOM 0 HA THR A 83 5.574 -5.310 -5.204 1.00 0.00 H new ATOM 0 HB THR A 83 6.047 -6.115 -2.761 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.593 -4.714 -1.681 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.458 -6.325 -3.207 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.480 -6.686 -4.650 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.316 -5.121 -4.509 1.00 0.00 H new ATOM 531 N TRP A 84 3.452 -5.739 -3.893 1.00 0.00 N ATOM 532 CA TRP A 84 2.185 -5.925 -3.207 1.00 0.00 C ATOM 533 C TRP A 84 2.437 -6.450 -1.804 1.00 0.00 C ATOM 534 O TRP A 84 2.798 -7.613 -1.617 1.00 0.00 O ATOM 535 CB TRP A 84 1.276 -6.891 -3.974 1.00 0.00 C ATOM 536 CG TRP A 84 0.655 -6.284 -5.191 1.00 0.00 C ATOM 537 CD1 TRP A 84 1.123 -6.337 -6.472 1.00 0.00 C ATOM 538 CD2 TRP A 84 -0.560 -5.528 -5.238 1.00 0.00 C ATOM 539 NE1 TRP A 84 0.276 -5.656 -7.310 1.00 0.00 N ATOM 540 CE2 TRP A 84 -0.766 -5.153 -6.577 1.00 0.00 C ATOM 541 CE3 TRP A 84 -1.495 -5.132 -4.278 1.00 0.00 C ATOM 542 CZ2 TRP A 84 -1.864 -4.399 -6.979 1.00 0.00 C ATOM 543 CZ3 TRP A 84 -2.585 -4.385 -4.677 1.00 0.00 C ATOM 544 CH2 TRP A 84 -2.763 -4.024 -6.019 1.00 0.00 C ATOM 0 H TRP A 84 3.702 -6.496 -4.529 1.00 0.00 H new ATOM 0 HA TRP A 84 1.679 -4.961 -3.151 1.00 0.00 H new ATOM 0 HB2 TRP A 84 1.855 -7.766 -4.269 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.487 -7.241 -3.309 1.00 0.00 H new ATOM 0 HD1 TRP A 84 2.027 -6.841 -6.781 1.00 0.00 H new ATOM 0 HE1 TRP A 84 0.402 -5.543 -8.316 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.367 -5.406 -3.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -2.002 -4.120 -8.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -3.313 -4.074 -3.942 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.626 -3.439 -6.301 1.00 0.00 H new ATOM 555 N GLU A 85 2.258 -5.582 -0.829 1.00 0.00 N ATOM 556 CA GLU A 85 2.508 -5.918 0.560 1.00 0.00 C ATOM 557 C GLU A 85 1.209 -5.922 1.356 1.00 0.00 C ATOM 558 O GLU A 85 0.241 -5.256 0.988 1.00 0.00 O ATOM 559 CB GLU A 85 3.485 -4.914 1.173 1.00 0.00 C ATOM 560 CG GLU A 85 4.914 -5.076 0.691 1.00 0.00 C ATOM 561 CD GLU A 85 5.518 -6.398 1.114 1.00 0.00 C ATOM 562 OE1 GLU A 85 5.432 -6.740 2.310 1.00 0.00 O ATOM 563 OE2 GLU A 85 6.068 -7.108 0.249 1.00 0.00 O ATOM 0 H GLU A 85 1.936 -4.625 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 85 2.943 -6.917 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.146 -3.904 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.464 -5.017 2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.939 -4.999 -0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.522 -4.260 1.082 1.00 0.00 H new ATOM 570 N PRO A 86 1.176 -6.684 2.454 1.00 0.00 N ATOM 571 CA PRO A 86 0.038 -6.715 3.366 1.00 0.00 C ATOM 572 C PRO A 86 0.110 -5.568 4.372 1.00 0.00 C ATOM 573 O PRO A 86 1.197 -5.102 4.712 1.00 0.00 O ATOM 574 CB PRO A 86 0.211 -8.062 4.064 1.00 0.00 C ATOM 575 CG PRO A 86 1.686 -8.282 4.100 1.00 0.00 C ATOM 576 CD PRO A 86 2.260 -7.585 2.892 1.00 0.00 C ATOM 0 HA PRO A 86 -0.923 -6.603 2.865 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.212 -8.045 5.069 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.295 -8.859 3.519 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.115 -7.880 5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.919 -9.347 4.079 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.164 -7.030 3.143 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.529 -8.296 2.111 1.00 0.00 H new ATOM 584 N GLN A 87 -1.061 -5.124 4.841 1.00 0.00 N ATOM 585 CA GLN A 87 -1.173 -3.971 5.749 1.00 0.00 C ATOM 586 C GLN A 87 -0.297 -4.118 6.993 1.00 0.00 C ATOM 587 O GLN A 87 -0.002 -3.134 7.666 1.00 0.00 O ATOM 588 CB GLN A 87 -2.627 -3.778 6.186 1.00 0.00 C ATOM 589 CG GLN A 87 -3.599 -3.557 5.039 1.00 0.00 C ATOM 590 CD GLN A 87 -5.024 -3.348 5.515 1.00 0.00 C ATOM 591 OE1 GLN A 87 -5.424 -3.863 6.557 1.00 0.00 O ATOM 592 NE2 GLN A 87 -5.803 -2.597 4.755 1.00 0.00 N ATOM 0 H GLN A 87 -1.957 -5.550 4.604 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.826 -3.101 5.192 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.944 -4.654 6.752 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.681 -2.925 6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.282 -2.689 4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.566 -4.416 4.369 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.435 -2.186 3.897 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.772 -2.428 5.027 1.00 0.00 H new ATOM 601 N ASP A 88 0.096 -5.350 7.297 1.00 0.00 N ATOM 602 CA ASP A 88 0.997 -5.627 8.413 1.00 0.00 C ATOM 603 C ASP A 88 2.364 -4.999 8.164 1.00 0.00 C ATOM 604 O ASP A 88 3.036 -4.536 9.086 1.00 0.00 O ATOM 605 CB ASP A 88 1.144 -7.143 8.596 1.00 0.00 C ATOM 606 CG ASP A 88 2.097 -7.522 9.715 1.00 0.00 C ATOM 607 OD1 ASP A 88 3.322 -7.547 9.485 1.00 0.00 O ATOM 608 OD2 ASP A 88 1.620 -7.824 10.827 1.00 0.00 O ATOM 0 H ASP A 88 -0.198 -6.180 6.782 1.00 0.00 H new ATOM 0 HA ASP A 88 0.576 -5.193 9.320 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.164 -7.574 8.801 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.497 -7.582 7.663 1.00 0.00 H new ATOM 613 N ASN A 89 2.760 -4.973 6.903 1.00 0.00 N ATOM 614 CA ASN A 89 4.057 -4.439 6.516 1.00 0.00 C ATOM 615 C ASN A 89 3.916 -3.040 5.925 1.00 0.00 C ATOM 616 O ASN A 89 4.815 -2.208 6.059 1.00 0.00 O ATOM 617 CB ASN A 89 4.734 -5.384 5.516 1.00 0.00 C ATOM 618 CG ASN A 89 6.074 -4.869 5.026 1.00 0.00 C ATOM 619 OD1 ASN A 89 7.102 -5.063 5.674 1.00 0.00 O ATOM 620 ND2 ASN A 89 6.077 -4.239 3.863 1.00 0.00 N ATOM 0 H ASN A 89 2.199 -5.318 6.124 1.00 0.00 H new ATOM 0 HA ASN A 89 4.681 -4.363 7.406 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.875 -6.358 5.984 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.074 -5.533 4.661 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.954 -3.894 3.472 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.203 -4.098 3.357 1.00 0.00 H new ATOM 627 N VAL A 90 2.779 -2.778 5.291 1.00 0.00 N ATOM 628 CA VAL A 90 2.549 -1.494 4.634 1.00 0.00 C ATOM 629 C VAL A 90 2.364 -0.381 5.659 1.00 0.00 C ATOM 630 O VAL A 90 1.503 -0.470 6.533 1.00 0.00 O ATOM 631 CB VAL A 90 1.311 -1.532 3.707 1.00 0.00 C ATOM 632 CG1 VAL A 90 1.227 -0.262 2.887 1.00 0.00 C ATOM 633 CG2 VAL A 90 1.357 -2.736 2.790 1.00 0.00 C ATOM 0 H VAL A 90 2.003 -3.435 5.217 1.00 0.00 H new ATOM 0 HA VAL A 90 3.433 -1.293 4.029 1.00 0.00 H new ATOM 0 HB VAL A 90 0.423 -1.610 4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.351 -0.304 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.145 0.597 3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.125 -0.163 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.475 -2.739 2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.254 -2.689 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.374 -3.648 3.387 1.00 0.00 H new ATOM 643 N ASP A 91 3.195 0.650 5.556 1.00 0.00 N ATOM 644 CA ASP A 91 3.105 1.811 6.437 1.00 0.00 C ATOM 645 C ASP A 91 1.744 2.489 6.301 1.00 0.00 C ATOM 646 O ASP A 91 1.358 2.927 5.212 1.00 0.00 O ATOM 647 CB ASP A 91 4.220 2.806 6.112 1.00 0.00 C ATOM 648 CG ASP A 91 4.162 4.046 6.975 1.00 0.00 C ATOM 649 OD1 ASP A 91 4.711 4.022 8.094 1.00 0.00 O ATOM 650 OD2 ASP A 91 3.560 5.046 6.541 1.00 0.00 O ATOM 0 H ASP A 91 3.944 0.706 4.866 1.00 0.00 H new ATOM 0 HA ASP A 91 3.220 1.470 7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.186 2.320 6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.150 3.094 5.063 1.00 0.00 H new ATOM 655 N SER A 92 1.031 2.585 7.416 1.00 0.00 N ATOM 656 CA SER A 92 -0.341 3.072 7.419 1.00 0.00 C ATOM 657 C SER A 92 -0.404 4.559 7.084 1.00 0.00 C ATOM 658 O SER A 92 -1.405 5.038 6.555 1.00 0.00 O ATOM 659 CB SER A 92 -0.995 2.797 8.778 1.00 0.00 C ATOM 660 OG SER A 92 -2.359 3.193 8.798 1.00 0.00 O ATOM 0 H SER A 92 1.385 2.329 8.338 1.00 0.00 H new ATOM 0 HA SER A 92 -0.892 2.536 6.646 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.922 1.734 9.008 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.451 3.330 9.558 1.00 0.00 H new ATOM 0 HG SER A 92 -2.742 3.001 9.679 1.00 0.00 H new ATOM 666 N THR A 93 0.671 5.282 7.361 1.00 0.00 N ATOM 667 CA THR A 93 0.721 6.708 7.070 1.00 0.00 C ATOM 668 C THR A 93 0.677 6.936 5.563 1.00 0.00 C ATOM 669 O THR A 93 0.015 7.850 5.071 1.00 0.00 O ATOM 670 CB THR A 93 1.998 7.342 7.643 1.00 0.00 C ATOM 671 OG1 THR A 93 2.161 6.951 9.013 1.00 0.00 O ATOM 672 CG2 THR A 93 1.952 8.861 7.550 1.00 0.00 C ATOM 0 H THR A 93 1.519 4.906 7.786 1.00 0.00 H new ATOM 0 HA THR A 93 -0.144 7.178 7.538 1.00 0.00 H new ATOM 0 HB THR A 93 2.844 6.989 7.053 1.00 0.00 H new ATOM 0 HG1 THR A 93 2.977 7.356 9.374 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.870 9.279 7.964 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.856 9.159 6.506 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.097 9.234 8.114 1.00 0.00 H new ATOM 680 N LEU A 94 1.390 6.090 4.840 1.00 0.00 N ATOM 681 CA LEU A 94 1.384 6.125 3.389 1.00 0.00 C ATOM 682 C LEU A 94 0.064 5.589 2.859 1.00 0.00 C ATOM 683 O LEU A 94 -0.463 6.082 1.862 1.00 0.00 O ATOM 684 CB LEU A 94 2.539 5.297 2.849 1.00 0.00 C ATOM 685 CG LEU A 94 3.909 5.717 3.369 1.00 0.00 C ATOM 686 CD1 LEU A 94 4.946 4.676 3.008 1.00 0.00 C ATOM 687 CD2 LEU A 94 4.297 7.078 2.811 1.00 0.00 C ATOM 0 H LEU A 94 1.985 5.364 5.239 1.00 0.00 H new ATOM 0 HA LEU A 94 1.501 7.157 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.371 4.251 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.540 5.363 1.761 1.00 0.00 H new ATOM 0 HG LEU A 94 3.861 5.796 4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.920 4.987 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.673 3.720 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.993 4.570 1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.278 7.362 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.332 7.029 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.560 7.820 3.117 1.00 0.00 H new ATOM 699 N VAL A 95 -0.467 4.574 3.533 1.00 0.00 N ATOM 700 CA VAL A 95 -1.774 4.033 3.185 1.00 0.00 C ATOM 701 C VAL A 95 -2.834 5.109 3.283 1.00 0.00 C ATOM 702 O VAL A 95 -3.747 5.154 2.474 1.00 0.00 O ATOM 703 CB VAL A 95 -2.157 2.842 4.081 1.00 0.00 C ATOM 704 CG1 VAL A 95 -3.568 2.366 3.803 1.00 0.00 C ATOM 705 CG2 VAL A 95 -1.200 1.713 3.849 1.00 0.00 C ATOM 0 H VAL A 95 -0.013 4.111 4.321 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.714 3.675 2.157 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.108 3.173 5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.803 1.524 4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.270 3.178 3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.648 2.053 2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.472 0.870 4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.243 1.409 2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.188 2.038 4.091 1.00 0.00 H new ATOM 715 N LEU A 96 -2.681 5.993 4.257 1.00 0.00 N ATOM 716 CA LEU A 96 -3.586 7.119 4.418 1.00 0.00 C ATOM 717 C LEU A 96 -3.611 7.966 3.152 1.00 0.00 C ATOM 718 O LEU A 96 -4.648 8.501 2.779 1.00 0.00 O ATOM 719 CB LEU A 96 -3.167 7.974 5.613 1.00 0.00 C ATOM 720 CG LEU A 96 -3.389 7.335 6.984 1.00 0.00 C ATOM 721 CD1 LEU A 96 -2.877 8.248 8.086 1.00 0.00 C ATOM 722 CD2 LEU A 96 -4.864 7.021 7.189 1.00 0.00 C ATOM 0 H LEU A 96 -1.934 5.951 4.951 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.588 6.731 4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.110 8.218 5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.716 8.915 5.576 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.829 6.401 7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.043 7.777 9.055 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.810 8.424 7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.410 9.198 8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.006 6.566 8.169 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.444 7.942 7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.200 6.329 6.416 1.00 0.00 H new ATOM 734 N LEU A 97 -2.476 8.040 2.464 1.00 0.00 N ATOM 735 CA LEU A 97 -2.380 8.827 1.242 1.00 0.00 C ATOM 736 C LEU A 97 -3.263 8.209 0.166 1.00 0.00 C ATOM 737 O LEU A 97 -3.743 8.894 -0.736 1.00 0.00 O ATOM 738 CB LEU A 97 -0.925 8.897 0.769 1.00 0.00 C ATOM 739 CG LEU A 97 0.071 9.340 1.840 1.00 0.00 C ATOM 740 CD1 LEU A 97 1.483 9.359 1.282 1.00 0.00 C ATOM 741 CD2 LEU A 97 -0.309 10.706 2.385 1.00 0.00 C ATOM 0 H LEU A 97 -1.613 7.566 2.732 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.723 9.842 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.629 7.915 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.863 9.586 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 97 0.039 8.622 2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.177 9.677 2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.753 8.360 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.534 10.054 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.410 11.007 3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.306 11.435 1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.305 10.658 2.825 1.00 0.00 H new ATOM 753 N TYR A 98 -3.477 6.905 0.280 1.00 0.00 N ATOM 754 CA TYR A 98 -4.357 6.190 -0.626 1.00 0.00 C ATOM 755 C TYR A 98 -5.789 6.228 -0.100 1.00 0.00 C ATOM 756 O TYR A 98 -6.693 6.712 -0.773 1.00 0.00 O ATOM 757 CB TYR A 98 -3.889 4.740 -0.797 1.00 0.00 C ATOM 758 CG TYR A 98 -4.701 3.942 -1.795 1.00 0.00 C ATOM 759 CD1 TYR A 98 -4.456 4.045 -3.159 1.00 0.00 C ATOM 760 CD2 TYR A 98 -5.709 3.084 -1.374 1.00 0.00 C ATOM 761 CE1 TYR A 98 -5.196 3.319 -4.073 1.00 0.00 C ATOM 762 CE2 TYR A 98 -6.451 2.356 -2.282 1.00 0.00 C ATOM 763 CZ TYR A 98 -6.191 2.476 -3.630 1.00 0.00 C ATOM 764 OH TYR A 98 -6.931 1.749 -4.536 1.00 0.00 O ATOM 0 H TYR A 98 -3.048 6.320 0.997 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.327 6.677 -1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.845 4.741 -1.112 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.929 4.240 0.171 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.675 4.703 -3.510 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.916 2.985 -0.319 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -4.995 3.412 -5.130 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -7.232 1.695 -1.937 1.00 0.00 H new ATOM 0 HH TYR A 98 -7.590 1.204 -4.058 1.00 0.00 H new ATOM 774 N GLN A 99 -5.984 5.726 1.119 1.00 0.00 N ATOM 775 CA GLN A 99 -7.320 5.647 1.723 1.00 0.00 C ATOM 776 C GLN A 99 -8.056 6.991 1.751 1.00 0.00 C ATOM 777 O GLN A 99 -9.276 7.025 1.604 1.00 0.00 O ATOM 778 CB GLN A 99 -7.250 5.087 3.141 1.00 0.00 C ATOM 779 CG GLN A 99 -6.848 3.628 3.200 1.00 0.00 C ATOM 780 CD GLN A 99 -7.083 3.011 4.567 1.00 0.00 C ATOM 781 OE1 GLN A 99 -6.207 3.034 5.433 1.00 0.00 O ATOM 782 NE2 GLN A 99 -8.269 2.460 4.772 1.00 0.00 N ATOM 0 H GLN A 99 -5.235 5.367 1.711 1.00 0.00 H new ATOM 0 HA GLN A 99 -7.888 4.973 1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -6.537 5.675 3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.223 5.206 3.618 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.411 3.070 2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -5.794 3.535 2.940 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.967 2.462 4.029 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.484 2.034 5.673 1.00 0.00 H new ATOM 791 N GLN A 100 -7.333 8.091 1.938 1.00 0.00 N ATOM 792 CA GLN A 100 -7.974 9.405 2.031 1.00 0.00 C ATOM 793 C GLN A 100 -8.591 9.834 0.704 1.00 0.00 C ATOM 794 O GLN A 100 -9.474 10.694 0.672 1.00 0.00 O ATOM 795 CB GLN A 100 -6.990 10.469 2.518 1.00 0.00 C ATOM 796 CG GLN A 100 -6.657 10.356 3.996 1.00 0.00 C ATOM 797 CD GLN A 100 -7.884 10.446 4.879 1.00 0.00 C ATOM 798 OE1 GLN A 100 -8.513 9.436 5.201 1.00 0.00 O ATOM 799 NE2 GLN A 100 -8.232 11.656 5.277 1.00 0.00 N ATOM 0 H GLN A 100 -6.317 8.104 2.027 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.777 9.310 2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.069 10.393 1.940 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.409 11.456 2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.151 9.408 4.179 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.959 11.148 4.269 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.683 12.466 4.987 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.049 11.781 5.874 1.00 0.00 H new ATOM 808 N GLN A 101 -8.125 9.247 -0.391 1.00 0.00 N ATOM 809 CA GLN A 101 -8.687 9.540 -1.703 1.00 0.00 C ATOM 810 C GLN A 101 -9.451 8.334 -2.243 1.00 0.00 C ATOM 811 O GLN A 101 -10.045 8.388 -3.321 1.00 0.00 O ATOM 812 CB GLN A 101 -7.586 9.992 -2.677 1.00 0.00 C ATOM 813 CG GLN A 101 -6.431 9.007 -2.845 1.00 0.00 C ATOM 814 CD GLN A 101 -6.677 7.972 -3.927 1.00 0.00 C ATOM 815 OE1 GLN A 101 -7.420 8.352 -4.954 1.00 0.00 O flip ATOM 816 NE2 GLN A 101 -6.192 6.843 -3.849 1.00 0.00 N flip ATOM 0 H GLN A 101 -7.363 8.569 -0.397 1.00 0.00 H new ATOM 0 HA GLN A 101 -9.396 10.362 -1.601 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.036 10.171 -3.653 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.184 10.945 -2.332 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -5.522 9.560 -3.081 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -6.257 8.497 -1.897 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -5.624 6.587 -3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -6.358 6.164 -4.592 1.00 0.00 H new ATOM 825 N GLN A 102 -9.444 7.253 -1.477 1.00 0.00 N ATOM 826 CA GLN A 102 -10.082 6.021 -1.870 1.00 0.00 C ATOM 827 C GLN A 102 -11.476 5.926 -1.254 1.00 0.00 C ATOM 828 O GLN A 102 -11.629 5.983 -0.033 1.00 0.00 O ATOM 829 CB GLN A 102 -9.201 4.859 -1.412 1.00 0.00 C ATOM 830 CG GLN A 102 -9.863 3.505 -1.494 1.00 0.00 C ATOM 831 CD GLN A 102 -10.221 3.093 -2.910 1.00 0.00 C ATOM 832 OE1 GLN A 102 -11.163 2.328 -3.124 1.00 0.00 O ATOM 833 NE2 GLN A 102 -9.477 3.597 -3.884 1.00 0.00 N ATOM 0 H GLN A 102 -8.992 7.213 -0.563 1.00 0.00 H new ATOM 0 HA GLN A 102 -10.200 5.986 -2.953 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -8.295 4.845 -2.018 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -8.892 5.037 -0.382 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -9.197 2.757 -1.063 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -10.768 3.514 -0.887 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.706 4.227 -3.663 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -9.675 3.355 -4.855 1.00 0.00 H new ATOM 842 N PRO A 103 -12.512 5.795 -2.092 1.00 0.00 N ATOM 843 CA PRO A 103 -13.893 5.681 -1.624 1.00 0.00 C ATOM 844 C PRO A 103 -14.124 4.419 -0.798 1.00 0.00 C ATOM 845 O PRO A 103 -14.004 3.295 -1.298 1.00 0.00 O ATOM 846 CB PRO A 103 -14.715 5.638 -2.916 1.00 0.00 C ATOM 847 CG PRO A 103 -13.758 5.200 -3.969 1.00 0.00 C ATOM 848 CD PRO A 103 -12.421 5.748 -3.562 1.00 0.00 C ATOM 0 HA PRO A 103 -14.165 6.505 -0.964 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -15.551 4.943 -2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -15.136 6.616 -3.148 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -13.729 4.113 -4.043 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -14.054 5.578 -4.948 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -11.605 5.107 -3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -12.244 6.736 -3.987 1.00 0.00 H new ATOM 856 N MET A 104 -14.448 4.616 0.471 1.00 0.00 N ATOM 857 CA MET A 104 -14.769 3.515 1.366 1.00 0.00 C ATOM 858 C MET A 104 -16.212 3.086 1.128 1.00 0.00 C ATOM 859 O MET A 104 -17.095 3.317 1.954 1.00 0.00 O ATOM 860 CB MET A 104 -14.566 3.947 2.823 1.00 0.00 C ATOM 861 CG MET A 104 -14.762 2.829 3.838 1.00 0.00 C ATOM 862 SD MET A 104 -14.683 3.413 5.545 1.00 0.00 S ATOM 863 CE MET A 104 -13.006 4.037 5.614 1.00 0.00 C ATOM 0 H MET A 104 -14.496 5.537 0.907 1.00 0.00 H new ATOM 0 HA MET A 104 -14.108 2.672 1.167 1.00 0.00 H new ATOM 0 HB2 MET A 104 -13.560 4.351 2.934 1.00 0.00 H new ATOM 0 HB3 MET A 104 -15.261 4.755 3.051 1.00 0.00 H new ATOM 0 HG2 MET A 104 -15.727 2.353 3.666 1.00 0.00 H new ATOM 0 HG3 MET A 104 -13.999 2.066 3.684 1.00 0.00 H new ATOM 0 HE1 MET A 104 -12.709 4.168 6.655 1.00 0.00 H new ATOM 0 HE2 MET A 104 -12.334 3.328 5.131 1.00 0.00 H new ATOM 0 HE3 MET A 104 -12.953 4.996 5.099 1.00 0.00 H new ATOM 873 N ASN A 105 -16.457 2.483 -0.023 1.00 0.00 N ATOM 874 CA ASN A 105 -17.814 2.168 -0.431 1.00 0.00 C ATOM 875 C ASN A 105 -18.094 0.675 -0.358 1.00 0.00 C ATOM 876 O ASN A 105 -17.935 -0.046 -1.344 1.00 0.00 O ATOM 877 CB ASN A 105 -18.080 2.675 -1.849 1.00 0.00 C ATOM 878 CG ASN A 105 -19.533 2.499 -2.263 1.00 0.00 C ATOM 879 OD1 ASN A 105 -20.438 2.596 -1.303 1.00 0.00 O flip ATOM 880 ND2 ASN A 105 -19.838 2.295 -3.439 1.00 0.00 N flip ATOM 0 H ASN A 105 -15.737 2.203 -0.689 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.485 2.672 0.265 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.812 3.730 -1.911 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -17.438 2.141 -2.550 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -19.110 2.227 -4.150 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -20.819 2.195 -3.702 1.00 0.00 H new ATOM 887 N GLU A 106 -18.498 0.221 0.817 1.00 0.00 N ATOM 888 CA GLU A 106 -18.978 -1.137 0.992 1.00 0.00 C ATOM 889 C GLU A 106 -19.754 -1.227 2.299 1.00 0.00 C ATOM 890 O GLU A 106 -20.971 -0.947 2.283 1.00 0.00 O ATOM 891 CB GLU A 106 -17.827 -2.145 0.981 1.00 0.00 C ATOM 892 CG GLU A 106 -18.302 -3.579 0.827 1.00 0.00 C ATOM 893 CD GLU A 106 -17.169 -4.575 0.836 1.00 0.00 C ATOM 894 OE1 GLU A 106 -16.573 -4.817 -0.234 1.00 0.00 O ATOM 895 OE2 GLU A 106 -16.880 -5.131 1.915 1.00 0.00 O ATOM 896 OXT GLU A 106 -19.142 -1.525 3.343 1.00 0.00 O ATOM 0 H GLU A 106 -18.502 0.780 1.670 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.633 -1.386 0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -17.146 -1.903 0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -17.260 -2.052 1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -18.994 -3.816 1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -18.856 -3.675 -0.107 1.00 0.00 H new TER 903 GLU A 106