USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 473 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 27 MET CE :methyl -146:sc= -6.97! (180deg=-8.05!) USER MOD Set 1.2: A 42 CYS SG : rot 126:sc= -1.63! USER MOD Set 1.3: A 44 ASN : amide:sc= -1.77 K(o=-10,f=-8.7) USER MOD Set 2.1: A 3 HIS : no HD1:sc= -1.95 K(o=-4.6,f=-4) USER MOD Set 2.2: A 32 LYS NZ :NH3+ -139:sc= -2.62 (180deg=-0.0694) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.25 K(o=-1.2,f=-2.5!) USER MOD Single : A 7 THR OG1 : rot -97:sc= -2.15! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -83:sc= 0.761 USER MOD Single : A 15 THR OG1 : rot -169:sc= -2.42 USER MOD Single : A 20 ASN : amide:sc= 0.92 K(o=0.92,f=-0.45) USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= -0.503 (180deg=-0.916) USER MOD Single : A 26 THR OG1 : rot 38:sc= 0.455 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -171:sc= -1.01 (180deg=-1.54!) USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0511) USER MOD Single : A 48 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.72) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.973 K(o=-0.97,f=-1.6!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 44:sc= 0.447 USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 13.094 -8.580 1.755 1.00 0.00 N ATOM 11 CA SER A 2 12.315 -7.686 0.907 1.00 0.00 C ATOM 12 C SER A 2 11.506 -6.706 1.744 1.00 0.00 C ATOM 13 O SER A 2 10.966 -7.067 2.789 1.00 0.00 O ATOM 14 CB SER A 2 11.370 -8.491 0.009 1.00 0.00 C ATOM 15 OG SER A 2 11.563 -8.164 -1.356 1.00 0.00 O ATOM 0 HA SER A 2 13.013 -7.124 0.287 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.541 -9.557 0.159 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.336 -8.291 0.292 1.00 0.00 H new ATOM 0 HG SER A 2 10.950 -8.692 -1.909 1.00 0.00 H new ATOM 21 N HIS A 3 11.402 -5.472 1.267 1.00 0.00 N ATOM 22 CA HIS A 3 10.628 -4.458 1.971 1.00 0.00 C ATOM 23 C HIS A 3 9.157 -4.636 1.650 1.00 0.00 C ATOM 24 O HIS A 3 8.754 -4.593 0.487 1.00 0.00 O ATOM 25 CB HIS A 3 11.076 -3.038 1.610 1.00 0.00 C ATOM 26 CG HIS A 3 11.828 -2.934 0.319 1.00 0.00 C ATOM 27 ND1 HIS A 3 13.196 -2.773 0.255 1.00 0.00 N ATOM 28 CD2 HIS A 3 11.395 -2.971 -0.964 1.00 0.00 C ATOM 29 CE1 HIS A 3 13.571 -2.713 -1.011 1.00 0.00 C ATOM 30 NE2 HIS A 3 12.497 -2.832 -1.769 1.00 0.00 N ATOM 0 H HIS A 3 11.840 -5.151 0.403 1.00 0.00 H new ATOM 0 HA HIS A 3 10.796 -4.588 3.040 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.197 -2.396 1.557 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.704 -2.653 2.414 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.373 -3.088 -1.292 1.00 0.00 H new ATOM 0 HE1 HIS A 3 14.584 -2.588 -1.365 1.00 0.00 H new ATOM 0 HE2 HIS A 3 12.488 -2.822 -2.789 1.00 0.00 H new ATOM 39 N VAL A 4 8.362 -4.864 2.682 1.00 0.00 N ATOM 40 CA VAL A 4 6.937 -5.079 2.501 1.00 0.00 C ATOM 41 C VAL A 4 6.126 -4.171 3.407 1.00 0.00 C ATOM 42 O VAL A 4 6.661 -3.558 4.329 1.00 0.00 O ATOM 43 CB VAL A 4 6.553 -6.551 2.771 1.00 0.00 C ATOM 44 CG1 VAL A 4 5.687 -7.094 1.647 1.00 0.00 C ATOM 45 CG2 VAL A 4 7.792 -7.415 2.937 1.00 0.00 C ATOM 0 H VAL A 4 8.678 -4.905 3.651 1.00 0.00 H new ATOM 0 HA VAL A 4 6.707 -4.840 1.463 1.00 0.00 H new ATOM 0 HB VAL A 4 5.983 -6.582 3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.428 -8.132 1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.776 -6.501 1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.235 -7.040 0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.494 -8.446 3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.391 -7.371 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.382 -7.048 3.777 1.00 0.00 H new ATOM 55 N VAL A 5 4.833 -4.084 3.136 1.00 0.00 N ATOM 56 CA VAL A 5 3.943 -3.246 3.927 1.00 0.00 C ATOM 57 C VAL A 5 2.722 -4.023 4.392 1.00 0.00 C ATOM 58 O VAL A 5 2.400 -5.088 3.865 1.00 0.00 O ATOM 59 CB VAL A 5 3.524 -1.964 3.157 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.430 -2.229 1.666 1.00 0.00 C ATOM 61 CG2 VAL A 5 2.215 -1.376 3.666 1.00 0.00 C ATOM 0 H VAL A 5 4.375 -4.584 2.374 1.00 0.00 H new ATOM 0 HA VAL A 5 4.499 -2.931 4.810 1.00 0.00 H new ATOM 0 HB VAL A 5 4.306 -1.227 3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.135 -1.314 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.400 -2.558 1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.688 -3.005 1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.970 -0.482 3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.417 -2.110 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.319 -1.114 4.719 1.00 0.00 H new ATOM 71 N GLN A 6 2.062 -3.481 5.402 1.00 0.00 N ATOM 72 CA GLN A 6 0.881 -4.112 5.979 1.00 0.00 C ATOM 73 C GLN A 6 -0.195 -3.079 6.299 1.00 0.00 C ATOM 74 O GLN A 6 0.117 -1.950 6.670 1.00 0.00 O ATOM 75 CB GLN A 6 1.272 -4.859 7.258 1.00 0.00 C ATOM 76 CG GLN A 6 0.627 -6.226 7.380 1.00 0.00 C ATOM 77 CD GLN A 6 1.381 -7.144 8.322 1.00 0.00 C ATOM 78 OE1 GLN A 6 2.087 -6.685 9.220 1.00 0.00 O ATOM 79 NE2 GLN A 6 1.232 -8.446 8.122 1.00 0.00 N ATOM 0 H GLN A 6 2.324 -2.600 5.843 1.00 0.00 H new ATOM 0 HA GLN A 6 0.476 -4.812 5.249 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.356 -4.973 7.286 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.993 -4.256 8.122 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.397 -6.110 7.734 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.573 -6.688 6.394 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.636 -8.781 7.365 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.713 -9.113 8.725 1.00 0.00 H new ATOM 88 N THR A 7 -1.462 -3.470 6.171 1.00 0.00 N ATOM 89 CA THR A 7 -2.563 -2.559 6.477 1.00 0.00 C ATOM 90 C THR A 7 -3.216 -2.935 7.797 1.00 0.00 C ATOM 91 O THR A 7 -3.024 -4.040 8.306 1.00 0.00 O ATOM 92 CB THR A 7 -3.613 -2.549 5.368 1.00 0.00 C ATOM 93 OG1 THR A 7 -3.866 -3.856 4.900 1.00 0.00 O ATOM 94 CG2 THR A 7 -3.223 -1.700 4.177 1.00 0.00 C ATOM 0 H THR A 7 -1.749 -4.399 5.862 1.00 0.00 H new ATOM 0 HA THR A 7 -2.141 -1.557 6.555 1.00 0.00 H new ATOM 0 HB THR A 7 -4.504 -2.117 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.338 -4.022 4.091 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.014 -1.739 3.428 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.077 -0.669 4.498 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.297 -2.081 3.746 1.00 0.00 H new ATOM 102 N LEU A 8 -3.978 -2.006 8.353 1.00 0.00 N ATOM 103 CA LEU A 8 -4.650 -2.231 9.622 1.00 0.00 C ATOM 104 C LEU A 8 -6.126 -1.846 9.546 1.00 0.00 C ATOM 105 O LEU A 8 -6.974 -2.486 10.167 1.00 0.00 O ATOM 106 CB LEU A 8 -3.964 -1.447 10.751 1.00 0.00 C ATOM 107 CG LEU A 8 -2.955 -0.375 10.322 1.00 0.00 C ATOM 108 CD1 LEU A 8 -1.771 -0.995 9.596 1.00 0.00 C ATOM 109 CD2 LEU A 8 -3.630 0.681 9.462 1.00 0.00 C ATOM 0 H LEU A 8 -4.146 -1.087 7.944 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.583 -3.297 9.840 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.737 -0.968 11.352 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.452 -2.159 11.399 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.574 0.110 11.221 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.072 -0.211 9.304 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.268 -1.701 10.257 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.123 -1.518 8.706 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.898 1.433 9.168 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.047 0.212 8.571 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.430 1.156 10.030 1.00 0.00 H new ATOM 121 N TYR A 9 -6.425 -0.793 8.792 1.00 0.00 N ATOM 122 CA TYR A 9 -7.801 -0.326 8.653 1.00 0.00 C ATOM 123 C TYR A 9 -8.262 -0.377 7.199 1.00 0.00 C ATOM 124 O TYR A 9 -7.535 0.045 6.300 1.00 0.00 O ATOM 125 CB TYR A 9 -7.932 1.113 9.173 1.00 0.00 C ATOM 126 CG TYR A 9 -8.283 1.198 10.642 1.00 0.00 C ATOM 127 CD1 TYR A 9 -9.553 0.858 11.092 1.00 0.00 C ATOM 128 CD2 TYR A 9 -7.347 1.620 11.578 1.00 0.00 C ATOM 129 CE1 TYR A 9 -9.880 0.936 12.433 1.00 0.00 C ATOM 130 CE2 TYR A 9 -7.666 1.700 12.921 1.00 0.00 C ATOM 131 CZ TYR A 9 -8.933 1.357 13.342 1.00 0.00 C ATOM 132 OH TYR A 9 -9.256 1.436 14.678 1.00 0.00 O ATOM 0 H TYR A 9 -5.738 -0.249 8.270 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.433 -0.990 9.243 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.993 1.639 9.002 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.697 1.631 8.595 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -10.297 0.527 10.382 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.354 1.890 11.251 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.872 0.669 12.767 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.927 2.029 13.636 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.478 1.748 15.185 1.00 0.00 H new ATOM 142 N PRO A 10 -9.492 -0.868 6.945 1.00 0.00 N ATOM 143 CA PRO A 10 -10.046 -0.929 5.590 1.00 0.00 C ATOM 144 C PRO A 10 -10.380 0.470 5.090 1.00 0.00 C ATOM 145 O PRO A 10 -11.529 0.786 4.783 1.00 0.00 O ATOM 146 CB PRO A 10 -11.315 -1.764 5.757 1.00 0.00 C ATOM 147 CG PRO A 10 -11.720 -1.559 7.176 1.00 0.00 C ATOM 148 CD PRO A 10 -10.445 -1.368 7.955 1.00 0.00 C ATOM 0 HA PRO A 10 -9.354 -1.355 4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.097 -1.437 5.071 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.126 -2.817 5.547 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.369 -0.689 7.273 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.279 -2.417 7.549 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.576 -0.656 8.770 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.104 -2.302 8.400 1.00 0.00 H new ATOM 156 N PHE A 11 -9.354 1.309 5.049 1.00 0.00 N ATOM 157 CA PHE A 11 -9.486 2.695 4.636 1.00 0.00 C ATOM 158 C PHE A 11 -9.694 2.842 3.138 1.00 0.00 C ATOM 159 O PHE A 11 -9.339 1.967 2.349 1.00 0.00 O ATOM 160 CB PHE A 11 -8.283 3.504 5.094 1.00 0.00 C ATOM 161 CG PHE A 11 -8.463 4.066 6.476 1.00 0.00 C ATOM 162 CD1 PHE A 11 -9.368 5.089 6.710 1.00 0.00 C ATOM 163 CD2 PHE A 11 -7.738 3.561 7.541 1.00 0.00 C ATOM 164 CE1 PHE A 11 -9.545 5.599 7.982 1.00 0.00 C ATOM 165 CE2 PHE A 11 -7.909 4.067 8.816 1.00 0.00 C ATOM 166 CZ PHE A 11 -8.813 5.088 9.037 1.00 0.00 C ATOM 0 H PHE A 11 -8.403 1.043 5.303 1.00 0.00 H new ATOM 0 HA PHE A 11 -10.382 3.086 5.117 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.395 2.872 5.074 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -8.109 4.320 4.393 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.942 5.492 5.889 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.030 2.762 7.374 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.254 6.396 8.151 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.336 3.665 9.639 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.947 5.486 10.032 1.00 0.00 H new ATOM 176 N SER A 12 -10.309 3.958 2.773 1.00 0.00 N ATOM 177 CA SER A 12 -10.629 4.258 1.389 1.00 0.00 C ATOM 178 C SER A 12 -9.545 5.103 0.727 1.00 0.00 C ATOM 179 O SER A 12 -8.846 5.872 1.387 1.00 0.00 O ATOM 180 CB SER A 12 -11.942 5.027 1.361 1.00 0.00 C ATOM 181 OG SER A 12 -13.053 4.151 1.421 1.00 0.00 O ATOM 0 H SER A 12 -10.600 4.681 3.431 1.00 0.00 H new ATOM 0 HA SER A 12 -10.704 3.320 0.838 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.977 5.721 2.201 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.996 5.625 0.451 1.00 0.00 H new ATOM 0 HG SER A 12 -13.882 4.673 1.403 1.00 0.00 H new ATOM 187 N SER A 13 -9.421 4.952 -0.589 1.00 0.00 N ATOM 188 CA SER A 13 -8.434 5.694 -1.363 1.00 0.00 C ATOM 189 C SER A 13 -8.977 6.023 -2.751 1.00 0.00 C ATOM 190 O SER A 13 -8.973 5.177 -3.644 1.00 0.00 O ATOM 191 CB SER A 13 -7.143 4.883 -1.493 1.00 0.00 C ATOM 192 OG SER A 13 -6.329 5.032 -0.342 1.00 0.00 O ATOM 0 H SER A 13 -9.997 4.318 -1.143 1.00 0.00 H new ATOM 0 HA SER A 13 -8.220 6.626 -0.839 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.384 3.830 -1.638 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.593 5.208 -2.376 1.00 0.00 H new ATOM 0 HG SER A 13 -5.807 5.858 -0.415 1.00 0.00 H new ATOM 198 N VAL A 14 -9.451 7.252 -2.925 1.00 0.00 N ATOM 199 CA VAL A 14 -10.001 7.681 -4.204 1.00 0.00 C ATOM 200 C VAL A 14 -9.356 8.977 -4.685 1.00 0.00 C ATOM 201 O VAL A 14 -9.667 10.061 -4.190 1.00 0.00 O ATOM 202 CB VAL A 14 -11.526 7.878 -4.122 1.00 0.00 C ATOM 203 CG1 VAL A 14 -12.227 6.539 -3.954 1.00 0.00 C ATOM 204 CG2 VAL A 14 -11.885 8.823 -2.985 1.00 0.00 C ATOM 0 H VAL A 14 -9.465 7.967 -2.198 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.780 6.888 -4.919 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.866 8.327 -5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.304 6.697 -3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.998 5.899 -4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.882 6.060 -3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.967 8.949 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.532 8.407 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -11.413 9.791 -3.154 1.00 0.00 H new ATOM 214 N THR A 15 -8.457 8.854 -5.656 1.00 0.00 N ATOM 215 CA THR A 15 -7.763 10.008 -6.216 1.00 0.00 C ATOM 216 C THR A 15 -7.222 9.685 -7.607 1.00 0.00 C ATOM 217 O THR A 15 -7.276 8.539 -8.051 1.00 0.00 O ATOM 218 CB THR A 15 -6.619 10.442 -5.300 1.00 0.00 C ATOM 219 OG1 THR A 15 -6.936 10.182 -3.944 1.00 0.00 O ATOM 220 CG2 THR A 15 -6.282 11.913 -5.419 1.00 0.00 C ATOM 0 H THR A 15 -8.191 7.962 -6.073 1.00 0.00 H new ATOM 0 HA THR A 15 -8.477 10.827 -6.298 1.00 0.00 H new ATOM 0 HB THR A 15 -5.755 9.861 -5.622 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.278 10.619 -3.365 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.462 12.154 -4.742 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.985 12.136 -6.444 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.156 12.509 -5.157 1.00 0.00 H new ATOM 228 N GLU A 16 -6.704 10.700 -8.289 1.00 0.00 N ATOM 229 CA GLU A 16 -6.159 10.518 -9.629 1.00 0.00 C ATOM 230 C GLU A 16 -4.939 9.601 -9.605 1.00 0.00 C ATOM 231 O GLU A 16 -4.697 8.852 -10.552 1.00 0.00 O ATOM 232 CB GLU A 16 -5.793 11.872 -10.240 1.00 0.00 C ATOM 233 CG GLU A 16 -6.486 12.146 -11.564 1.00 0.00 C ATOM 234 CD GLU A 16 -5.602 12.893 -12.543 1.00 0.00 C ATOM 235 OE1 GLU A 16 -4.365 12.735 -12.465 1.00 0.00 O ATOM 236 OE2 GLU A 16 -6.145 13.635 -13.387 1.00 0.00 O ATOM 0 H GLU A 16 -6.650 11.656 -7.937 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.924 10.047 -10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.050 12.662 -9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.714 11.915 -10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.797 11.201 -12.009 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.391 12.726 -11.383 1.00 0.00 H new ATOM 243 N GLU A 17 -4.176 9.659 -8.518 1.00 0.00 N ATOM 244 CA GLU A 17 -2.983 8.824 -8.378 1.00 0.00 C ATOM 245 C GLU A 17 -3.153 7.798 -7.260 1.00 0.00 C ATOM 246 O GLU A 17 -2.187 7.160 -6.842 1.00 0.00 O ATOM 247 CB GLU A 17 -1.746 9.683 -8.102 1.00 0.00 C ATOM 248 CG GLU A 17 -1.625 10.892 -9.013 1.00 0.00 C ATOM 249 CD GLU A 17 -2.048 12.180 -8.332 1.00 0.00 C ATOM 250 OE1 GLU A 17 -3.266 12.378 -8.141 1.00 0.00 O ATOM 251 OE2 GLU A 17 -1.160 12.991 -7.992 1.00 0.00 O ATOM 0 H GLU A 17 -4.359 10.272 -7.723 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.846 8.293 -9.320 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.774 10.021 -7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.854 9.066 -8.212 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.593 10.986 -9.351 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.238 10.736 -9.901 1.00 0.00 H new ATOM 258 N GLU A 18 -4.382 7.641 -6.777 1.00 0.00 N ATOM 259 CA GLU A 18 -4.664 6.692 -5.707 1.00 0.00 C ATOM 260 C GLU A 18 -5.302 5.422 -6.256 1.00 0.00 C ATOM 261 O GLU A 18 -5.423 5.254 -7.469 1.00 0.00 O ATOM 262 CB GLU A 18 -5.600 7.313 -4.684 1.00 0.00 C ATOM 263 CG GLU A 18 -4.891 8.154 -3.635 1.00 0.00 C ATOM 264 CD GLU A 18 -5.512 8.013 -2.258 1.00 0.00 C ATOM 265 OE1 GLU A 18 -6.521 8.700 -1.989 1.00 0.00 O ATOM 266 OE2 GLU A 18 -4.990 7.217 -1.451 1.00 0.00 O ATOM 0 H GLU A 18 -5.196 8.158 -7.109 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.716 6.437 -5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.329 7.935 -5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.156 6.519 -4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.842 7.862 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.917 9.201 -3.936 1.00 0.00 H new ATOM 273 N LEU A 19 -5.721 4.535 -5.353 1.00 0.00 N ATOM 274 CA LEU A 19 -6.352 3.287 -5.757 1.00 0.00 C ATOM 275 C LEU A 19 -7.413 2.830 -4.763 1.00 0.00 C ATOM 276 O LEU A 19 -7.421 3.237 -3.606 1.00 0.00 O ATOM 277 CB LEU A 19 -5.302 2.192 -5.913 1.00 0.00 C ATOM 278 CG LEU A 19 -5.178 1.638 -7.325 1.00 0.00 C ATOM 279 CD1 LEU A 19 -4.449 2.628 -8.220 1.00 0.00 C ATOM 280 CD2 LEU A 19 -4.480 0.285 -7.307 1.00 0.00 C ATOM 0 H LEU A 19 -5.634 4.660 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.843 3.472 -6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.334 2.587 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.544 1.374 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.177 1.491 -7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.368 2.217 -9.226 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.004 3.565 -8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.451 2.812 -7.822 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.400 -0.097 -8.325 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.483 0.396 -6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.057 -0.414 -6.702 1.00 0.00 H new ATOM 292 N ASN A 20 -8.292 1.957 -5.237 1.00 0.00 N ATOM 293 CA ASN A 20 -9.360 1.398 -4.420 1.00 0.00 C ATOM 294 C ASN A 20 -9.481 -0.098 -4.694 1.00 0.00 C ATOM 295 O ASN A 20 -10.028 -0.510 -5.716 1.00 0.00 O ATOM 296 CB ASN A 20 -10.690 2.100 -4.714 1.00 0.00 C ATOM 297 CG ASN A 20 -10.830 2.502 -6.170 1.00 0.00 C ATOM 298 OD1 ASN A 20 -10.841 3.688 -6.500 1.00 0.00 O ATOM 299 ND2 ASN A 20 -10.937 1.514 -7.051 1.00 0.00 N ATOM 0 H ASN A 20 -8.284 1.617 -6.199 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.119 1.554 -3.369 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.513 1.439 -4.443 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -10.774 2.987 -4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -11.033 1.725 -8.044 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.923 0.545 -6.734 1.00 0.00 H new ATOM 306 N PHE A 21 -8.948 -0.905 -3.784 1.00 0.00 N ATOM 307 CA PHE A 21 -8.973 -2.356 -3.935 1.00 0.00 C ATOM 308 C PHE A 21 -9.502 -3.034 -2.672 1.00 0.00 C ATOM 309 O PHE A 21 -9.589 -2.416 -1.611 1.00 0.00 O ATOM 310 CB PHE A 21 -7.576 -2.878 -4.292 1.00 0.00 C ATOM 311 CG PHE A 21 -6.462 -2.158 -3.585 1.00 0.00 C ATOM 312 CD1 PHE A 21 -6.059 -2.546 -2.319 1.00 0.00 C ATOM 313 CD2 PHE A 21 -5.820 -1.090 -4.191 1.00 0.00 C ATOM 314 CE1 PHE A 21 -5.036 -1.882 -1.669 1.00 0.00 C ATOM 315 CE2 PHE A 21 -4.795 -0.423 -3.548 1.00 0.00 C ATOM 316 CZ PHE A 21 -4.403 -0.820 -2.285 1.00 0.00 C ATOM 0 H PHE A 21 -8.492 -0.579 -2.932 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.653 -2.602 -4.750 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.522 -3.939 -4.050 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.429 -2.789 -5.368 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.549 -3.377 -1.834 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.125 -0.775 -5.178 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.732 -2.193 -0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.302 0.407 -4.032 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.602 -0.301 -1.779 1.00 0.00 H new ATOM 326 N GLU A 22 -9.876 -4.302 -2.805 1.00 0.00 N ATOM 327 CA GLU A 22 -10.426 -5.070 -1.692 1.00 0.00 C ATOM 328 C GLU A 22 -9.404 -5.244 -0.564 1.00 0.00 C ATOM 329 O GLU A 22 -8.472 -4.449 -0.431 1.00 0.00 O ATOM 330 CB GLU A 22 -10.904 -6.436 -2.197 1.00 0.00 C ATOM 331 CG GLU A 22 -12.332 -6.766 -1.800 1.00 0.00 C ATOM 332 CD GLU A 22 -12.504 -8.219 -1.397 1.00 0.00 C ATOM 333 OE1 GLU A 22 -11.786 -8.669 -0.479 1.00 0.00 O ATOM 334 OE2 GLU A 22 -13.356 -8.905 -2.000 1.00 0.00 O ATOM 0 H GLU A 22 -9.808 -4.823 -3.679 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.271 -4.517 -1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.823 -6.461 -3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.240 -7.209 -1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.632 -6.125 -0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.998 -6.543 -2.633 1.00 0.00 H new ATOM 341 N LYS A 23 -9.600 -6.275 0.260 1.00 0.00 N ATOM 342 CA LYS A 23 -8.720 -6.543 1.393 1.00 0.00 C ATOM 343 C LYS A 23 -7.255 -6.599 0.969 1.00 0.00 C ATOM 344 O LYS A 23 -6.900 -7.248 -0.014 1.00 0.00 O ATOM 345 CB LYS A 23 -9.151 -7.854 2.073 1.00 0.00 C ATOM 346 CG LYS A 23 -8.106 -8.968 2.053 1.00 0.00 C ATOM 347 CD LYS A 23 -6.988 -8.743 3.068 1.00 0.00 C ATOM 348 CE LYS A 23 -7.520 -8.338 4.436 1.00 0.00 C ATOM 349 NZ LYS A 23 -7.480 -6.863 4.638 1.00 0.00 N ATOM 0 H LYS A 23 -10.366 -6.941 0.160 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.809 -5.723 2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.411 -7.639 3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.056 -8.217 1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.593 -9.921 2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.676 -9.040 1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.400 -9.656 3.165 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.316 -7.969 2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.546 -8.691 4.545 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.931 -8.826 5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.124 -6.601 5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.511 -6.572 4.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.776 -6.385 3.763 1.00 0.00 H new ATOM 363 N GLY A 24 -6.415 -5.907 1.733 1.00 0.00 N ATOM 364 CA GLY A 24 -4.996 -5.876 1.445 1.00 0.00 C ATOM 365 C GLY A 24 -4.155 -5.768 2.702 1.00 0.00 C ATOM 366 O GLY A 24 -3.321 -4.871 2.819 1.00 0.00 O ATOM 0 H GLY A 24 -6.696 -5.365 2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.718 -6.779 0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.779 -5.031 0.792 1.00 0.00 H new ATOM 370 N GLU A 25 -4.364 -6.692 3.638 1.00 0.00 N ATOM 371 CA GLU A 25 -3.617 -6.710 4.886 1.00 0.00 C ATOM 372 C GLU A 25 -2.137 -6.853 4.603 1.00 0.00 C ATOM 373 O GLU A 25 -1.296 -6.497 5.425 1.00 0.00 O ATOM 374 CB GLU A 25 -4.095 -7.856 5.779 1.00 0.00 C ATOM 375 CG GLU A 25 -4.151 -7.495 7.255 1.00 0.00 C ATOM 376 CD GLU A 25 -5.345 -8.109 7.960 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.623 -9.304 7.724 1.00 0.00 O ATOM 378 OE2 GLU A 25 -6.001 -7.395 8.747 1.00 0.00 O ATOM 0 H GLU A 25 -5.050 -7.441 3.551 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.789 -5.769 5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.086 -8.171 5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.430 -8.710 5.647 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.235 -7.829 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.190 -6.411 7.359 1.00 0.00 H new ATOM 385 N THR A 26 -1.832 -7.359 3.421 1.00 0.00 N ATOM 386 CA THR A 26 -0.456 -7.530 3.005 1.00 0.00 C ATOM 387 C THR A 26 -0.199 -6.825 1.685 1.00 0.00 C ATOM 388 O THR A 26 -0.783 -7.162 0.655 1.00 0.00 O ATOM 389 CB THR A 26 -0.090 -8.998 2.870 1.00 0.00 C ATOM 390 OG1 THR A 26 -0.945 -9.648 1.945 1.00 0.00 O ATOM 391 CG2 THR A 26 -0.151 -9.758 4.176 1.00 0.00 C ATOM 0 H THR A 26 -2.522 -7.659 2.733 1.00 0.00 H new ATOM 0 HA THR A 26 0.168 -7.086 3.780 1.00 0.00 H new ATOM 0 HB THR A 26 0.942 -9.004 2.520 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.144 -9.042 1.201 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.122 -10.799 4.004 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.544 -9.313 4.889 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.163 -9.710 4.578 1.00 0.00 H new ATOM 399 N MET A 27 0.687 -5.849 1.733 1.00 0.00 N ATOM 400 CA MET A 27 1.052 -5.078 0.556 1.00 0.00 C ATOM 401 C MET A 27 2.552 -4.825 0.537 1.00 0.00 C ATOM 402 O MET A 27 3.218 -4.969 1.555 1.00 0.00 O ATOM 403 CB MET A 27 0.290 -3.754 0.537 1.00 0.00 C ATOM 404 CG MET A 27 -1.217 -3.923 0.424 1.00 0.00 C ATOM 405 SD MET A 27 -2.038 -2.452 -0.217 1.00 0.00 S ATOM 406 CE MET A 27 -2.204 -2.883 -1.949 1.00 0.00 C ATOM 0 H MET A 27 1.173 -5.568 2.584 1.00 0.00 H new ATOM 0 HA MET A 27 0.784 -5.648 -0.334 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.518 -3.200 1.447 1.00 0.00 H new ATOM 0 HB3 MET A 27 0.644 -3.152 -0.300 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.435 -4.769 -0.228 1.00 0.00 H new ATOM 0 HG3 MET A 27 -1.626 -4.163 1.405 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.106 -1.985 -2.558 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.425 -3.594 -2.223 1.00 0.00 H new ATOM 0 HE3 MET A 27 -3.182 -3.333 -2.120 1.00 0.00 H new ATOM 416 N GLU A 28 3.078 -4.440 -0.619 1.00 0.00 N ATOM 417 CA GLU A 28 4.504 -4.154 -0.753 1.00 0.00 C ATOM 418 C GLU A 28 4.726 -2.766 -1.342 1.00 0.00 C ATOM 419 O GLU A 28 4.417 -2.523 -2.507 1.00 0.00 O ATOM 420 CB GLU A 28 5.172 -5.205 -1.629 1.00 0.00 C ATOM 421 CG GLU A 28 4.775 -6.631 -1.281 1.00 0.00 C ATOM 422 CD GLU A 28 3.894 -7.268 -2.338 1.00 0.00 C ATOM 423 OE1 GLU A 28 4.193 -7.101 -3.540 1.00 0.00 O ATOM 424 OE2 GLU A 28 2.906 -7.935 -1.965 1.00 0.00 O ATOM 0 H GLU A 28 2.541 -4.318 -1.477 1.00 0.00 H new ATOM 0 HA GLU A 28 4.952 -4.182 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.919 -5.011 -2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.254 -5.106 -1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.675 -7.233 -1.153 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.250 -6.635 -0.326 1.00 0.00 H new ATOM 431 N VAL A 29 5.268 -1.862 -0.537 1.00 0.00 N ATOM 432 CA VAL A 29 5.523 -0.502 -0.989 1.00 0.00 C ATOM 433 C VAL A 29 6.873 -0.397 -1.693 1.00 0.00 C ATOM 434 O VAL A 29 7.928 -0.561 -1.080 1.00 0.00 O ATOM 435 CB VAL A 29 5.446 0.493 0.188 1.00 0.00 C ATOM 436 CG1 VAL A 29 6.191 1.783 -0.120 1.00 0.00 C ATOM 437 CG2 VAL A 29 3.994 0.776 0.534 1.00 0.00 C ATOM 0 H VAL A 29 5.539 -2.045 0.429 1.00 0.00 H new ATOM 0 HA VAL A 29 4.747 -0.242 -1.709 1.00 0.00 H new ATOM 0 HB VAL A 29 5.933 0.037 1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.115 2.459 0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.240 1.560 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.752 2.255 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.949 1.479 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.491 1.205 -0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.500 -0.153 0.817 1.00 0.00 H new ATOM 447 N ILE A 30 6.816 -0.126 -2.990 1.00 0.00 N ATOM 448 CA ILE A 30 8.015 0.003 -3.814 1.00 0.00 C ATOM 449 C ILE A 30 8.670 1.371 -3.643 1.00 0.00 C ATOM 450 O ILE A 30 9.895 1.481 -3.621 1.00 0.00 O ATOM 451 CB ILE A 30 7.698 -0.204 -5.312 1.00 0.00 C ATOM 452 CG1 ILE A 30 6.341 0.424 -5.667 1.00 0.00 C ATOM 453 CG2 ILE A 30 7.731 -1.682 -5.666 1.00 0.00 C ATOM 454 CD1 ILE A 30 5.184 -0.554 -5.715 1.00 0.00 C ATOM 0 H ILE A 30 5.943 0.010 -3.500 1.00 0.00 H new ATOM 0 HA ILE A 30 8.702 -0.773 -3.476 1.00 0.00 H new ATOM 0 HB ILE A 30 8.464 0.298 -5.903 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.113 1.200 -4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.425 0.914 -6.637 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.505 -1.808 -6.725 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.722 -2.084 -5.456 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.989 -2.215 -5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.268 -0.022 -5.973 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.384 -1.318 -6.467 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.067 -1.027 -4.740 1.00 0.00 H new ATOM 466 N GLU A 31 7.848 2.409 -3.535 1.00 0.00 N ATOM 467 CA GLU A 31 8.354 3.770 -3.383 1.00 0.00 C ATOM 468 C GLU A 31 8.343 4.205 -1.919 1.00 0.00 C ATOM 469 O GLU A 31 7.288 4.277 -1.290 1.00 0.00 O ATOM 470 CB GLU A 31 7.518 4.739 -4.225 1.00 0.00 C ATOM 471 CG GLU A 31 7.914 6.199 -4.056 1.00 0.00 C ATOM 472 CD GLU A 31 9.408 6.421 -4.199 1.00 0.00 C ATOM 473 OE1 GLU A 31 10.003 5.864 -5.146 1.00 0.00 O ATOM 474 OE2 GLU A 31 9.982 7.151 -3.364 1.00 0.00 O ATOM 0 H GLU A 31 6.831 2.335 -3.550 1.00 0.00 H new ATOM 0 HA GLU A 31 9.386 3.787 -3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.612 4.466 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.467 4.624 -3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.389 6.802 -4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.591 6.547 -3.075 1.00 0.00 H new ATOM 481 N LYS A 32 9.527 4.495 -1.387 1.00 0.00 N ATOM 482 CA LYS A 32 9.662 4.925 -0.007 1.00 0.00 C ATOM 483 C LYS A 32 9.611 6.450 0.093 1.00 0.00 C ATOM 484 O LYS A 32 10.140 7.150 -0.770 1.00 0.00 O ATOM 485 CB LYS A 32 10.979 4.411 0.567 1.00 0.00 C ATOM 486 CG LYS A 32 11.241 2.945 0.269 1.00 0.00 C ATOM 487 CD LYS A 32 10.207 2.052 0.937 1.00 0.00 C ATOM 488 CE LYS A 32 10.185 0.663 0.318 1.00 0.00 C ATOM 489 NZ LYS A 32 11.515 -0.003 0.397 1.00 0.00 N ATOM 0 H LYS A 32 10.408 4.438 -1.897 1.00 0.00 H new ATOM 0 HA LYS A 32 8.831 4.514 0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.798 5.007 0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.977 4.559 1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.224 2.782 -0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.238 2.674 0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.427 1.973 2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.220 2.507 0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.442 0.050 0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.877 0.736 -0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.707 -0.502 -0.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.252 0.712 0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.516 -0.685 1.182 1.00 0.00 H new ATOM 503 N PRO A 33 8.972 6.991 1.149 1.00 0.00 N ATOM 504 CA PRO A 33 8.858 8.435 1.350 1.00 0.00 C ATOM 505 C PRO A 33 10.126 9.052 1.937 1.00 0.00 C ATOM 506 O PRO A 33 10.142 10.227 2.302 1.00 0.00 O ATOM 507 CB PRO A 33 7.688 8.578 2.341 1.00 0.00 C ATOM 508 CG PRO A 33 7.191 7.189 2.604 1.00 0.00 C ATOM 509 CD PRO A 33 8.306 6.256 2.225 1.00 0.00 C ATOM 0 HA PRO A 33 8.701 8.956 0.405 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.016 9.055 3.264 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.898 9.202 1.923 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.922 7.066 3.653 1.00 0.00 H new ATOM 0 HG3 PRO A 33 6.295 6.981 2.019 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.977 6.062 3.062 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.931 5.290 1.887 1.00 0.00 H new ATOM 517 N GLU A 34 11.188 8.257 2.028 1.00 0.00 N ATOM 518 CA GLU A 34 12.452 8.733 2.570 1.00 0.00 C ATOM 519 C GLU A 34 13.007 9.877 1.728 1.00 0.00 C ATOM 520 O GLU A 34 13.345 10.938 2.251 1.00 0.00 O ATOM 521 CB GLU A 34 13.462 7.586 2.630 1.00 0.00 C ATOM 522 CG GLU A 34 13.962 7.293 4.035 1.00 0.00 C ATOM 523 CD GLU A 34 15.447 7.562 4.196 1.00 0.00 C ATOM 524 OE1 GLU A 34 16.229 7.122 3.328 1.00 0.00 O ATOM 525 OE2 GLU A 34 15.826 8.214 5.192 1.00 0.00 O ATOM 0 H GLU A 34 11.196 7.281 1.733 1.00 0.00 H new ATOM 0 HA GLU A 34 12.274 9.105 3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.003 6.686 2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.313 7.828 1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.407 7.902 4.748 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.757 6.251 4.279 1.00 0.00 H new ATOM 532 N ASN A 35 13.096 9.653 0.420 1.00 0.00 N ATOM 533 CA ASN A 35 13.609 10.665 -0.498 1.00 0.00 C ATOM 534 C ASN A 35 12.461 11.395 -1.185 1.00 0.00 C ATOM 535 O ASN A 35 12.547 12.591 -1.464 1.00 0.00 O ATOM 536 CB ASN A 35 14.529 10.031 -1.550 1.00 0.00 C ATOM 537 CG ASN A 35 15.114 8.703 -1.101 1.00 0.00 C ATOM 538 OD1 ASN A 35 14.640 7.638 -1.499 1.00 0.00 O ATOM 539 ND2 ASN A 35 16.150 8.761 -0.271 1.00 0.00 N ATOM 0 H ASN A 35 12.819 8.779 -0.028 1.00 0.00 H new ATOM 0 HA ASN A 35 14.187 11.383 0.083 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.968 9.882 -2.473 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.341 10.721 -1.778 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.585 7.901 0.062 1.00 0.00 H new ATOM 0 HD22 ASN A 35 16.510 9.666 0.033 1.00 0.00 H new ATOM 546 N ASP A 36 11.382 10.664 -1.453 1.00 0.00 N ATOM 547 CA ASP A 36 10.210 11.233 -2.105 1.00 0.00 C ATOM 548 C ASP A 36 9.432 12.123 -1.136 1.00 0.00 C ATOM 549 O ASP A 36 9.652 12.072 0.075 1.00 0.00 O ATOM 550 CB ASP A 36 9.305 10.121 -2.640 1.00 0.00 C ATOM 551 CG ASP A 36 9.557 9.827 -4.106 1.00 0.00 C ATOM 552 OD1 ASP A 36 10.658 9.337 -4.434 1.00 0.00 O ATOM 553 OD2 ASP A 36 8.653 10.087 -4.928 1.00 0.00 O ATOM 0 H ASP A 36 11.297 9.673 -1.227 1.00 0.00 H new ATOM 0 HA ASP A 36 10.548 11.844 -2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.465 9.214 -2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.262 10.407 -2.504 1.00 0.00 H new ATOM 558 N PRO A 37 8.511 12.956 -1.657 1.00 0.00 N ATOM 559 CA PRO A 37 7.706 13.861 -0.833 1.00 0.00 C ATOM 560 C PRO A 37 7.201 13.201 0.451 1.00 0.00 C ATOM 561 O PRO A 37 7.720 13.470 1.534 1.00 0.00 O ATOM 562 CB PRO A 37 6.551 14.231 -1.761 1.00 0.00 C ATOM 563 CG PRO A 37 7.146 14.177 -3.126 1.00 0.00 C ATOM 564 CD PRO A 37 8.186 13.084 -3.092 1.00 0.00 C ATOM 0 HA PRO A 37 8.277 14.720 -0.481 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.720 13.532 -1.661 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.161 15.224 -1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.383 13.964 -3.875 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.596 15.134 -3.392 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.799 12.150 -3.500 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.065 13.349 -3.680 1.00 0.00 H new ATOM 572 N GLU A 38 6.189 12.341 0.335 1.00 0.00 N ATOM 573 CA GLU A 38 5.640 11.667 1.510 1.00 0.00 C ATOM 574 C GLU A 38 4.562 10.639 1.154 1.00 0.00 C ATOM 575 O GLU A 38 3.785 10.233 2.018 1.00 0.00 O ATOM 576 CB GLU A 38 5.053 12.700 2.464 1.00 0.00 C ATOM 577 CG GLU A 38 4.837 12.175 3.874 1.00 0.00 C ATOM 578 CD GLU A 38 3.379 11.887 4.170 1.00 0.00 C ATOM 579 OE1 GLU A 38 2.512 12.633 3.669 1.00 0.00 O ATOM 580 OE2 GLU A 38 3.104 10.913 4.903 1.00 0.00 O ATOM 0 H GLU A 38 5.739 12.097 -0.547 1.00 0.00 H new ATOM 0 HA GLU A 38 6.461 11.128 1.982 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.717 13.563 2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.100 13.050 2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.419 11.264 4.012 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.213 12.905 4.591 1.00 0.00 H new ATOM 587 N TRP A 39 4.511 10.217 -0.104 1.00 0.00 N ATOM 588 CA TRP A 39 3.518 9.236 -0.534 1.00 0.00 C ATOM 589 C TRP A 39 4.195 8.020 -1.157 1.00 0.00 C ATOM 590 O TRP A 39 5.225 8.144 -1.817 1.00 0.00 O ATOM 591 CB TRP A 39 2.549 9.856 -1.547 1.00 0.00 C ATOM 592 CG TRP A 39 2.147 11.262 -1.217 1.00 0.00 C ATOM 593 CD1 TRP A 39 1.978 11.798 0.028 1.00 0.00 C ATOM 594 CD2 TRP A 39 1.859 12.312 -2.148 1.00 0.00 C ATOM 595 NE1 TRP A 39 1.605 13.117 -0.073 1.00 0.00 N ATOM 596 CE2 TRP A 39 1.525 13.455 -1.399 1.00 0.00 C ATOM 597 CE3 TRP A 39 1.854 12.396 -3.543 1.00 0.00 C ATOM 598 CZ2 TRP A 39 1.187 14.667 -1.998 1.00 0.00 C ATOM 599 CZ3 TRP A 39 1.519 13.599 -4.137 1.00 0.00 C ATOM 600 CH2 TRP A 39 1.191 14.721 -3.365 1.00 0.00 C ATOM 0 H TRP A 39 5.140 10.535 -0.841 1.00 0.00 H new ATOM 0 HA TRP A 39 2.959 8.919 0.347 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.012 9.842 -2.534 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.654 9.236 -1.606 1.00 0.00 H new ATOM 0 HD1 TRP A 39 2.117 11.263 0.956 1.00 0.00 H new ATOM 0 HE1 TRP A 39 1.418 13.742 0.711 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.107 11.537 -4.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.931 15.532 -1.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.510 13.675 -5.214 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.936 15.647 -3.859 1.00 0.00 H new ATOM 611 N TRP A 40 3.604 6.844 -0.955 1.00 0.00 N ATOM 612 CA TRP A 40 4.157 5.617 -1.515 1.00 0.00 C ATOM 613 C TRP A 40 3.112 4.864 -2.337 1.00 0.00 C ATOM 614 O TRP A 40 1.934 5.222 -2.344 1.00 0.00 O ATOM 615 CB TRP A 40 4.738 4.720 -0.415 1.00 0.00 C ATOM 616 CG TRP A 40 3.785 4.381 0.695 1.00 0.00 C ATOM 617 CD1 TRP A 40 2.432 4.263 0.615 1.00 0.00 C ATOM 618 CD2 TRP A 40 4.130 4.100 2.057 1.00 0.00 C ATOM 619 NE1 TRP A 40 1.908 3.927 1.844 1.00 0.00 N ATOM 620 CE2 TRP A 40 2.936 3.819 2.744 1.00 0.00 C ATOM 621 CE3 TRP A 40 5.333 4.059 2.758 1.00 0.00 C ATOM 622 CZ2 TRP A 40 2.918 3.498 4.099 1.00 0.00 C ATOM 623 CZ3 TRP A 40 5.316 3.742 4.101 1.00 0.00 C ATOM 624 CH2 TRP A 40 4.115 3.463 4.759 1.00 0.00 C ATOM 0 H TRP A 40 2.750 6.717 -0.412 1.00 0.00 H new ATOM 0 HA TRP A 40 4.970 5.897 -2.184 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.088 3.793 -0.870 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.610 5.214 0.013 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.852 4.412 -0.284 1.00 0.00 H new ATOM 0 HE1 TRP A 40 0.919 3.783 2.050 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.266 4.272 2.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 1.991 3.284 4.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.244 3.709 4.652 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.133 3.215 5.810 1.00 0.00 H new ATOM 635 N LYS A 41 3.557 3.828 -3.043 1.00 0.00 N ATOM 636 CA LYS A 41 2.677 3.027 -3.886 1.00 0.00 C ATOM 637 C LYS A 41 3.078 1.560 -3.862 1.00 0.00 C ATOM 638 O LYS A 41 4.260 1.231 -3.910 1.00 0.00 O ATOM 639 CB LYS A 41 2.659 3.551 -5.320 1.00 0.00 C ATOM 640 CG LYS A 41 4.028 3.831 -5.893 1.00 0.00 C ATOM 641 CD LYS A 41 4.645 2.575 -6.468 1.00 0.00 C ATOM 642 CE LYS A 41 4.371 2.400 -7.957 1.00 0.00 C ATOM 643 NZ LYS A 41 3.296 3.301 -8.462 1.00 0.00 N ATOM 0 H LYS A 41 4.530 3.523 -3.047 1.00 0.00 H new ATOM 0 HA LYS A 41 1.669 3.112 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.153 2.823 -5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.069 4.467 -5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.952 4.591 -6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.676 4.235 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.722 2.599 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.259 1.709 -5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.288 2.590 -8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.090 1.365 -8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.048 3.034 -9.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.456 3.214 -7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.633 4.285 -8.448 1.00 0.00 H new ATOM 657 N CYS A 42 2.088 0.681 -3.770 1.00 0.00 N ATOM 658 CA CYS A 42 2.347 -0.749 -3.734 1.00 0.00 C ATOM 659 C CYS A 42 1.435 -1.486 -4.705 1.00 0.00 C ATOM 660 O CYS A 42 0.325 -1.037 -4.987 1.00 0.00 O ATOM 661 CB CYS A 42 2.136 -1.299 -2.323 1.00 0.00 C ATOM 662 SG CYS A 42 0.556 -0.837 -1.579 1.00 0.00 S ATOM 0 H CYS A 42 1.101 0.934 -3.719 1.00 0.00 H new ATOM 0 HA CYS A 42 3.384 -0.908 -4.029 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.206 -2.386 -2.354 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.944 -0.946 -1.682 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.070 -1.908 -1.189 1.00 0.00 H new ATOM 668 N LYS A 43 1.907 -2.624 -5.203 1.00 0.00 N ATOM 669 CA LYS A 43 1.133 -3.424 -6.145 1.00 0.00 C ATOM 670 C LYS A 43 0.296 -4.461 -5.411 1.00 0.00 C ATOM 671 O LYS A 43 0.735 -5.062 -4.430 1.00 0.00 O ATOM 672 CB LYS A 43 2.063 -4.120 -7.142 1.00 0.00 C ATOM 673 CG LYS A 43 2.895 -3.162 -7.977 1.00 0.00 C ATOM 674 CD LYS A 43 4.245 -3.763 -8.336 1.00 0.00 C ATOM 675 CE LYS A 43 4.605 -3.500 -9.790 1.00 0.00 C ATOM 676 NZ LYS A 43 4.676 -2.044 -10.092 1.00 0.00 N ATOM 0 H LYS A 43 2.821 -3.013 -4.970 1.00 0.00 H new ATOM 0 HA LYS A 43 0.464 -2.756 -6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.731 -4.786 -6.597 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.466 -4.743 -7.808 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.354 -2.909 -8.889 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.044 -2.233 -7.426 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.015 -3.343 -7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.226 -4.837 -8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.565 -3.964 -10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.864 -3.969 -10.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.038 -1.907 -11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.726 -1.627 -10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.313 -1.579 -9.414 1.00 0.00 H new ATOM 690 N ASN A 44 -0.925 -4.646 -5.896 1.00 0.00 N ATOM 691 CA ASN A 44 -1.864 -5.579 -5.310 1.00 0.00 C ATOM 692 C ASN A 44 -2.172 -6.691 -6.286 1.00 0.00 C ATOM 693 O ASN A 44 -1.746 -6.655 -7.440 1.00 0.00 O ATOM 694 CB ASN A 44 -3.161 -4.851 -4.941 1.00 0.00 C ATOM 695 CG ASN A 44 -3.874 -5.494 -3.769 1.00 0.00 C ATOM 696 OD1 ASN A 44 -5.063 -5.805 -3.845 1.00 0.00 O ATOM 697 ND2 ASN A 44 -3.150 -5.696 -2.675 1.00 0.00 N ATOM 0 H ASN A 44 -1.288 -4.149 -6.709 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.418 -6.005 -4.411 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.935 -3.813 -4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.826 -4.840 -5.805 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.576 -6.125 -1.853 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.167 -5.423 -2.656 1.00 0.00 H new ATOM 704 N ALA A 45 -2.936 -7.667 -5.829 1.00 0.00 N ATOM 705 CA ALA A 45 -3.317 -8.768 -6.685 1.00 0.00 C ATOM 706 C ALA A 45 -4.351 -8.307 -7.711 1.00 0.00 C ATOM 707 O ALA A 45 -4.782 -9.076 -8.569 1.00 0.00 O ATOM 708 CB ALA A 45 -3.850 -9.923 -5.854 1.00 0.00 C ATOM 0 H ALA A 45 -3.301 -7.717 -4.878 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.436 -9.117 -7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.133 -10.745 -6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.078 -10.261 -5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.722 -9.593 -5.290 1.00 0.00 H new ATOM 714 N ARG A 46 -4.732 -7.033 -7.613 1.00 0.00 N ATOM 715 CA ARG A 46 -5.698 -6.436 -8.520 1.00 0.00 C ATOM 716 C ARG A 46 -5.006 -5.971 -9.811 1.00 0.00 C ATOM 717 O ARG A 46 -5.665 -5.590 -10.778 1.00 0.00 O ATOM 718 CB ARG A 46 -6.406 -5.285 -7.792 1.00 0.00 C ATOM 719 CG ARG A 46 -6.842 -4.142 -8.680 1.00 0.00 C ATOM 720 CD ARG A 46 -8.119 -3.492 -8.172 1.00 0.00 C ATOM 721 NE ARG A 46 -9.304 -4.289 -8.487 1.00 0.00 N ATOM 722 CZ ARG A 46 -10.553 -3.852 -8.337 1.00 0.00 C ATOM 723 NH1 ARG A 46 -10.781 -2.626 -7.880 1.00 0.00 N ATOM 724 NH2 ARG A 46 -11.574 -4.640 -8.644 1.00 0.00 N ATOM 0 H ARG A 46 -4.378 -6.392 -6.903 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.447 -7.171 -8.816 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.282 -5.683 -7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.738 -4.895 -7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.049 -3.396 -8.729 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.999 -4.508 -9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.051 -3.355 -7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.221 -2.501 -8.614 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.166 -5.235 -8.842 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.998 -2.016 -7.643 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.739 -2.294 -7.766 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.403 -5.582 -8.996 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.530 -4.304 -8.529 1.00 0.00 H new ATOM 738 N GLY A 47 -3.673 -6.038 -9.829 1.00 0.00 N ATOM 739 CA GLY A 47 -2.921 -5.651 -11.011 1.00 0.00 C ATOM 740 C GLY A 47 -2.645 -4.161 -11.100 1.00 0.00 C ATOM 741 O GLY A 47 -1.830 -3.727 -11.914 1.00 0.00 O ATOM 0 H GLY A 47 -3.103 -6.354 -9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.972 -6.188 -11.019 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.471 -5.963 -11.899 1.00 0.00 H new ATOM 745 N GLN A 48 -3.320 -3.375 -10.270 1.00 0.00 N ATOM 746 CA GLN A 48 -3.134 -1.932 -10.272 1.00 0.00 C ATOM 747 C GLN A 48 -2.600 -1.448 -8.938 1.00 0.00 C ATOM 748 O GLN A 48 -3.059 -1.880 -7.880 1.00 0.00 O ATOM 749 CB GLN A 48 -4.452 -1.216 -10.580 1.00 0.00 C ATOM 750 CG GLN A 48 -4.681 -0.965 -12.062 1.00 0.00 C ATOM 751 CD GLN A 48 -4.488 -2.212 -12.904 1.00 0.00 C ATOM 752 OE1 GLN A 48 -5.365 -3.073 -12.968 1.00 0.00 O ATOM 753 NE2 GLN A 48 -3.333 -2.317 -13.552 1.00 0.00 N ATOM 0 H GLN A 48 -4.000 -3.713 -9.589 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.407 -1.698 -11.049 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.278 -1.811 -10.190 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.469 -0.262 -10.052 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.692 -0.585 -12.210 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.995 -0.190 -12.405 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.634 -1.579 -13.471 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.146 -3.136 -14.131 1.00 0.00 H new ATOM 762 N VAL A 49 -1.645 -0.533 -8.990 1.00 0.00 N ATOM 763 CA VAL A 49 -1.076 0.032 -7.781 1.00 0.00 C ATOM 764 C VAL A 49 -1.227 1.540 -7.789 1.00 0.00 C ATOM 765 O VAL A 49 -0.807 2.218 -8.728 1.00 0.00 O ATOM 766 CB VAL A 49 0.412 -0.332 -7.581 1.00 0.00 C ATOM 767 CG1 VAL A 49 1.101 -0.589 -8.903 1.00 0.00 C ATOM 768 CG2 VAL A 49 1.135 0.756 -6.795 1.00 0.00 C ATOM 0 H VAL A 49 -1.249 -0.167 -9.856 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.629 -0.402 -6.948 1.00 0.00 H new ATOM 0 HB VAL A 49 0.452 -1.255 -7.003 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.146 -0.842 -8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.609 -1.416 -9.415 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.045 0.306 -9.523 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.181 0.478 -6.666 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.074 1.699 -7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.667 0.870 -5.817 1.00 0.00 H new ATOM 778 N GLY A 50 -1.815 2.057 -6.730 1.00 0.00 N ATOM 779 CA GLY A 50 -2.000 3.478 -6.613 1.00 0.00 C ATOM 780 C GLY A 50 -1.121 4.056 -5.540 1.00 0.00 C ATOM 781 O GLY A 50 0.013 3.620 -5.353 1.00 0.00 O ATOM 0 H GLY A 50 -2.170 1.512 -5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.776 3.956 -7.567 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.044 3.694 -6.386 1.00 0.00 H new ATOM 785 N LEU A 51 -1.651 5.022 -4.819 1.00 0.00 N ATOM 786 CA LEU A 51 -0.920 5.654 -3.736 1.00 0.00 C ATOM 787 C LEU A 51 -1.644 5.409 -2.420 1.00 0.00 C ATOM 788 O LEU A 51 -2.738 5.927 -2.194 1.00 0.00 O ATOM 789 CB LEU A 51 -0.764 7.151 -4.002 1.00 0.00 C ATOM 790 CG LEU A 51 0.619 7.604 -4.501 1.00 0.00 C ATOM 791 CD1 LEU A 51 1.245 6.594 -5.455 1.00 0.00 C ATOM 792 CD2 LEU A 51 0.500 8.957 -5.176 1.00 0.00 C ATOM 0 H LEU A 51 -2.591 5.390 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 51 0.077 5.219 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.510 7.449 -4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.991 7.690 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 51 1.276 7.680 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.220 6.957 -5.781 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.365 5.638 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.598 6.464 -6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.481 9.275 -5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.183 8.883 -6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.116 9.687 -4.463 1.00 0.00 H new ATOM 804 N VAL A 52 -1.037 4.593 -1.571 1.00 0.00 N ATOM 805 CA VAL A 52 -1.634 4.248 -0.288 1.00 0.00 C ATOM 806 C VAL A 52 -1.181 5.189 0.825 1.00 0.00 C ATOM 807 O VAL A 52 0.009 5.446 0.994 1.00 0.00 O ATOM 808 CB VAL A 52 -1.307 2.791 0.124 1.00 0.00 C ATOM 809 CG1 VAL A 52 0.156 2.466 -0.134 1.00 0.00 C ATOM 810 CG2 VAL A 52 -1.652 2.544 1.589 1.00 0.00 C ATOM 0 H VAL A 52 -0.132 4.157 -1.747 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.711 4.350 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.920 2.131 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.358 1.437 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.374 2.586 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.786 3.142 0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.412 1.513 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.075 3.222 2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.716 2.720 1.747 1.00 0.00 H new ATOM 820 N PRO A 53 -2.143 5.694 1.613 1.00 0.00 N ATOM 821 CA PRO A 53 -1.871 6.593 2.743 1.00 0.00 C ATOM 822 C PRO A 53 -1.283 5.844 3.932 1.00 0.00 C ATOM 823 O PRO A 53 -1.986 5.107 4.623 1.00 0.00 O ATOM 824 CB PRO A 53 -3.263 7.095 3.100 1.00 0.00 C ATOM 825 CG PRO A 53 -4.097 5.909 2.806 1.00 0.00 C ATOM 826 CD PRO A 53 -3.588 5.422 1.490 1.00 0.00 C ATOM 0 HA PRO A 53 -1.151 7.373 2.495 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.334 7.396 4.145 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.553 7.958 2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.994 5.148 3.579 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.154 6.169 2.753 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.794 4.363 1.337 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.036 5.958 0.653 1.00 0.00 H new ATOM 834 N LYS A 54 -0.001 6.042 4.169 1.00 0.00 N ATOM 835 CA LYS A 54 0.691 5.395 5.278 1.00 0.00 C ATOM 836 C LYS A 54 -0.062 5.562 6.594 1.00 0.00 C ATOM 837 O LYS A 54 0.082 4.759 7.516 1.00 0.00 O ATOM 838 CB LYS A 54 2.053 6.019 5.425 1.00 0.00 C ATOM 839 CG LYS A 54 1.951 7.492 5.742 1.00 0.00 C ATOM 840 CD LYS A 54 2.475 7.802 7.135 1.00 0.00 C ATOM 841 CE LYS A 54 2.223 9.253 7.520 1.00 0.00 C ATOM 842 NZ LYS A 54 1.442 9.363 8.785 1.00 0.00 N ATOM 0 H LYS A 54 0.592 6.651 3.605 1.00 0.00 H new ATOM 0 HA LYS A 54 0.761 4.330 5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.604 5.512 6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.620 5.882 4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.515 8.063 5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.911 7.810 5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.995 7.144 7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.544 7.595 7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.176 9.769 7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.684 9.754 6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.291 10.366 9.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.522 8.892 8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.967 8.907 9.558 1.00 0.00 H new ATOM 856 N ASN A 55 -0.853 6.621 6.669 1.00 0.00 N ATOM 857 CA ASN A 55 -1.628 6.925 7.867 1.00 0.00 C ATOM 858 C ASN A 55 -2.711 5.883 8.086 1.00 0.00 C ATOM 859 O ASN A 55 -3.339 5.831 9.144 1.00 0.00 O ATOM 860 CB ASN A 55 -2.264 8.304 7.740 1.00 0.00 C ATOM 861 CG ASN A 55 -2.936 8.756 9.020 1.00 0.00 C ATOM 862 OD1 ASN A 55 -3.974 8.223 9.412 1.00 0.00 O ATOM 863 ND2 ASN A 55 -2.346 9.745 9.683 1.00 0.00 N ATOM 0 H ASN A 55 -0.977 7.290 5.909 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.953 6.913 8.723 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.499 9.028 7.460 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.998 8.289 6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.753 10.090 10.552 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.486 10.159 9.323 1.00 0.00 H new ATOM 870 N TYR A 56 -2.925 5.061 7.072 1.00 0.00 N ATOM 871 CA TYR A 56 -3.928 4.020 7.132 1.00 0.00 C ATOM 872 C TYR A 56 -3.285 2.648 7.038 1.00 0.00 C ATOM 873 O TYR A 56 -3.967 1.652 6.801 1.00 0.00 O ATOM 874 CB TYR A 56 -4.919 4.204 5.987 1.00 0.00 C ATOM 875 CG TYR A 56 -5.852 5.383 6.162 1.00 0.00 C ATOM 876 CD1 TYR A 56 -6.069 5.944 7.414 1.00 0.00 C ATOM 877 CD2 TYR A 56 -6.537 5.913 5.079 1.00 0.00 C ATOM 878 CE1 TYR A 56 -6.939 6.999 7.583 1.00 0.00 C ATOM 879 CE2 TYR A 56 -7.413 6.967 5.240 1.00 0.00 C ATOM 880 CZ TYR A 56 -7.612 7.508 6.493 1.00 0.00 C ATOM 881 OH TYR A 56 -8.485 8.559 6.656 1.00 0.00 O ATOM 0 H TYR A 56 -2.411 5.099 6.192 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.450 4.091 8.086 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.364 4.328 5.057 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.513 3.296 5.885 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.546 5.546 8.271 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.383 5.495 4.095 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.093 7.425 8.564 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.941 7.367 4.387 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.875 8.797 5.789 1.00 0.00 H new ATOM 891 N VAL A 57 -1.966 2.601 7.200 1.00 0.00 N ATOM 892 CA VAL A 57 -1.248 1.337 7.110 1.00 0.00 C ATOM 893 C VAL A 57 -0.005 1.307 7.996 1.00 0.00 C ATOM 894 O VAL A 57 0.375 2.305 8.609 1.00 0.00 O ATOM 895 CB VAL A 57 -0.835 1.031 5.646 1.00 0.00 C ATOM 896 CG1 VAL A 57 -1.739 1.753 4.660 1.00 0.00 C ATOM 897 CG2 VAL A 57 0.618 1.411 5.392 1.00 0.00 C ATOM 0 H VAL A 57 -1.380 3.413 7.392 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.939 0.572 7.464 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.943 -0.043 5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.426 1.520 3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.769 1.429 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.670 2.828 4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.878 1.185 4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.753 2.477 5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.265 0.843 6.061 1.00 0.00 H new ATOM 907 N VAL A 58 0.633 0.143 8.015 1.00 0.00 N ATOM 908 CA VAL A 58 1.858 -0.079 8.766 1.00 0.00 C ATOM 909 C VAL A 58 2.803 -0.933 7.928 1.00 0.00 C ATOM 910 O VAL A 58 2.472 -2.065 7.574 1.00 0.00 O ATOM 911 CB VAL A 58 1.586 -0.778 10.114 1.00 0.00 C ATOM 912 CG1 VAL A 58 0.957 -2.146 9.895 1.00 0.00 C ATOM 913 CG2 VAL A 58 2.870 -0.898 10.922 1.00 0.00 C ATOM 0 H VAL A 58 0.310 -0.679 7.505 1.00 0.00 H new ATOM 0 HA VAL A 58 2.307 0.890 8.983 1.00 0.00 H new ATOM 0 HB VAL A 58 0.881 -0.168 10.680 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.774 -2.621 10.859 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.013 -2.031 9.362 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.633 -2.767 9.307 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.659 -1.393 11.870 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.599 -1.483 10.361 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.273 0.096 11.115 1.00 0.00 H new ATOM 923 N VAL A 59 3.962 -0.385 7.586 1.00 0.00 N ATOM 924 CA VAL A 59 4.915 -1.114 6.757 1.00 0.00 C ATOM 925 C VAL A 59 5.448 -2.346 7.480 1.00 0.00 C ATOM 926 O VAL A 59 5.600 -2.351 8.701 1.00 0.00 O ATOM 927 CB VAL A 59 6.093 -0.228 6.302 1.00 0.00 C ATOM 928 CG1 VAL A 59 6.735 -0.812 5.051 1.00 0.00 C ATOM 929 CG2 VAL A 59 5.626 1.197 6.041 1.00 0.00 C ATOM 0 H VAL A 59 4.263 0.549 7.865 1.00 0.00 H new ATOM 0 HA VAL A 59 4.369 -1.430 5.868 1.00 0.00 H new ATOM 0 HB VAL A 59 6.835 -0.203 7.100 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.565 -0.179 4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.104 -1.815 5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.996 -0.861 4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.473 1.805 5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.866 1.193 5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.204 1.615 6.955 1.00 0.00 H new ATOM 939 N LEU A 60 5.706 -3.398 6.708 1.00 0.00 N ATOM 940 CA LEU A 60 6.195 -4.654 7.250 1.00 0.00 C ATOM 941 C LEU A 60 7.278 -5.243 6.345 1.00 0.00 C ATOM 942 O LEU A 60 6.981 -5.860 5.329 1.00 0.00 O ATOM 943 CB LEU A 60 5.013 -5.624 7.420 1.00 0.00 C ATOM 944 CG LEU A 60 5.285 -7.100 7.099 1.00 0.00 C ATOM 945 CD1 LEU A 60 4.938 -7.982 8.289 1.00 0.00 C ATOM 946 CD2 LEU A 60 4.500 -7.533 5.870 1.00 0.00 C ATOM 0 H LEU A 60 5.582 -3.401 5.696 1.00 0.00 H new ATOM 0 HA LEU A 60 6.648 -4.481 8.226 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.663 -5.558 8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.197 -5.282 6.784 1.00 0.00 H new ATOM 0 HG LEU A 60 6.348 -7.212 6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.138 -9.024 8.040 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.544 -7.691 9.147 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.882 -7.864 8.534 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.706 -8.582 5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.434 -7.402 6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.797 -6.925 5.016 1.00 0.00 H new ATOM 958 N SER A 61 8.530 -5.046 6.728 1.00 0.00 N ATOM 959 CA SER A 61 9.661 -5.552 5.958 1.00 0.00 C ATOM 960 C SER A 61 10.492 -6.527 6.787 1.00 0.00 C ATOM 961 O SER A 61 10.396 -7.746 6.536 1.00 0.00 O ATOM 962 CB SER A 61 10.538 -4.392 5.484 1.00 0.00 C ATOM 963 OG SER A 61 10.867 -3.529 6.559 1.00 0.00 O ATOM 964 OXT SER A 61 11.233 -6.062 7.678 1.00 0.00 O ATOM 0 H SER A 61 8.792 -4.537 7.572 1.00 0.00 H new ATOM 0 HA SER A 61 9.270 -6.084 5.090 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.451 -4.782 5.034 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.016 -3.830 4.709 1.00 0.00 H new ATOM 0 HG SER A 61 11.113 -4.063 7.343 1.00 0.00 H new