USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.104 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -168:sc= 1.16 USER MOD Single : A 19 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.5!) USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.047) USER MOD Single : A 26 SER OG : rot -55:sc= 0.0239 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.578 USER MOD Single : A 32 ASN : amide:sc= -0.42 K(o=-0.42,f=-2.3!) USER MOD Single : A 38 MET CE :methyl -109:sc= -2.28 (180deg=-4.42!) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= -0.0254 (180deg=-0.701) USER MOD Single : A 42 LYS NZ :NH3+ -138:sc= -0.325 (180deg=-1.83!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.224 K(o=-0.22,f=-2.6!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.343 K(o=-0.34,f=-3.3!) USER MOD Single : A 60 HIS : no HD1:sc= -2.84 K(o=-2.8,f=-0.97) USER MOD Single : A 62 HIS : no HD1:sc= -0.558 K(o=-0.56,f=0.036) USER MOD Single : A 70 ASN : amide:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.528 3.316 -8.830 1.00 0.00 N ATOM 2 CA GLY A 1 20.967 1.932 -8.838 1.00 0.00 C ATOM 3 C GLY A 1 20.453 1.154 -7.642 1.00 0.00 C ATOM 4 O GLY A 1 19.810 0.117 -7.799 1.00 0.00 O ATOM 0 H1 GLY A 1 20.905 3.805 -9.667 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.489 3.351 -8.848 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.875 3.785 -7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.626 1.451 -9.755 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.056 1.900 -8.848 1.00 0.00 H new ATOM 8 N SER A 2 20.739 1.655 -6.445 1.00 0.00 N ATOM 9 CA SER A 2 20.307 0.997 -5.218 1.00 0.00 C ATOM 10 C SER A 2 18.948 1.525 -4.768 1.00 0.00 C ATOM 11 O SER A 2 18.398 2.447 -5.370 1.00 0.00 O ATOM 12 CB SER A 2 21.340 1.208 -4.109 1.00 0.00 C ATOM 13 OG SER A 2 22.403 0.277 -4.220 1.00 0.00 O ATOM 0 H SER A 2 21.268 2.515 -6.299 1.00 0.00 H new ATOM 0 HA SER A 2 20.215 -0.070 -5.421 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.734 2.223 -4.163 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.860 1.103 -3.136 1.00 0.00 H new ATOM 0 HG SER A 2 23.051 0.433 -3.502 1.00 0.00 H new ATOM 19 N SER A 3 18.412 0.932 -3.706 1.00 0.00 N ATOM 20 CA SER A 3 17.115 1.339 -3.177 1.00 0.00 C ATOM 21 C SER A 3 17.230 1.746 -1.711 1.00 0.00 C ATOM 22 O SER A 3 17.833 1.040 -0.905 1.00 0.00 O ATOM 23 CB SER A 3 16.101 0.203 -3.325 1.00 0.00 C ATOM 24 OG SER A 3 15.440 0.269 -4.577 1.00 0.00 O ATOM 0 H SER A 3 18.855 0.169 -3.195 1.00 0.00 H new ATOM 0 HA SER A 3 16.771 2.200 -3.749 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.609 -0.757 -3.228 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.368 0.258 -2.520 1.00 0.00 H new ATOM 0 HG SER A 3 14.799 -0.469 -4.648 1.00 0.00 H new ATOM 30 N GLY A 4 16.645 2.892 -1.374 1.00 0.00 N ATOM 31 CA GLY A 4 16.693 3.374 -0.006 1.00 0.00 C ATOM 32 C GLY A 4 15.314 3.649 0.560 1.00 0.00 C ATOM 33 O GLY A 4 14.734 4.707 0.316 1.00 0.00 O ATOM 0 H GLY A 4 16.139 3.494 -2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.198 2.637 0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.287 4.287 0.034 1.00 0.00 H new ATOM 37 N SER A 5 14.787 2.693 1.318 1.00 0.00 N ATOM 38 CA SER A 5 13.464 2.834 1.917 1.00 0.00 C ATOM 39 C SER A 5 13.573 3.200 3.394 1.00 0.00 C ATOM 40 O SER A 5 12.875 4.091 3.877 1.00 0.00 O ATOM 41 CB SER A 5 12.668 1.538 1.757 1.00 0.00 C ATOM 42 OG SER A 5 13.245 0.488 2.514 1.00 0.00 O ATOM 0 H SER A 5 15.255 1.813 1.532 1.00 0.00 H new ATOM 0 HA SER A 5 12.941 3.638 1.400 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.638 1.698 2.077 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.634 1.256 0.705 1.00 0.00 H new ATOM 0 HG SER A 5 12.717 -0.329 2.396 1.00 0.00 H new ATOM 48 N SER A 6 14.453 2.503 4.106 1.00 0.00 N ATOM 49 CA SER A 6 14.651 2.750 5.529 1.00 0.00 C ATOM 50 C SER A 6 13.315 2.955 6.237 1.00 0.00 C ATOM 51 O SER A 6 13.176 3.838 7.081 1.00 0.00 O ATOM 52 CB SER A 6 15.543 3.976 5.736 1.00 0.00 C ATOM 53 OG SER A 6 16.893 3.684 5.416 1.00 0.00 O ATOM 0 H SER A 6 15.040 1.763 3.721 1.00 0.00 H new ATOM 0 HA SER A 6 15.140 1.876 5.959 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.188 4.797 5.114 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.475 4.308 6.772 1.00 0.00 H new ATOM 0 HG SER A 6 17.442 4.484 5.555 1.00 0.00 H new ATOM 59 N GLY A 7 12.333 2.130 5.884 1.00 0.00 N ATOM 60 CA GLY A 7 11.020 2.236 6.493 1.00 0.00 C ATOM 61 C GLY A 7 10.588 0.949 7.167 1.00 0.00 C ATOM 62 O GLY A 7 10.097 0.964 8.296 1.00 0.00 O ATOM 0 H GLY A 7 12.424 1.391 5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.027 3.042 7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.290 2.506 5.730 1.00 0.00 H new ATOM 66 N VAL A 8 10.769 -0.170 6.472 1.00 0.00 N ATOM 67 CA VAL A 8 10.394 -1.473 7.010 1.00 0.00 C ATOM 68 C VAL A 8 11.626 -2.319 7.309 1.00 0.00 C ATOM 69 O VAL A 8 12.217 -2.916 6.408 1.00 0.00 O ATOM 70 CB VAL A 8 9.482 -2.240 6.035 1.00 0.00 C ATOM 71 CG1 VAL A 8 9.129 -3.609 6.598 1.00 0.00 C ATOM 72 CG2 VAL A 8 8.224 -1.437 5.738 1.00 0.00 C ATOM 0 H VAL A 8 11.173 -0.200 5.536 1.00 0.00 H new ATOM 0 HA VAL A 8 9.850 -1.289 7.937 1.00 0.00 H new ATOM 0 HB VAL A 8 10.022 -2.386 5.099 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.484 -4.136 5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.041 -4.184 6.755 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.608 -3.489 7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.591 -1.994 5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.679 -1.258 6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.499 -0.483 5.289 1.00 0.00 H new ATOM 82 N HIS A 9 12.009 -2.368 8.581 1.00 0.00 N ATOM 83 CA HIS A 9 13.171 -3.144 9.001 1.00 0.00 C ATOM 84 C HIS A 9 12.744 -4.471 9.620 1.00 0.00 C ATOM 85 O HIS A 9 13.167 -5.539 9.178 1.00 0.00 O ATOM 86 CB HIS A 9 14.008 -2.346 10.001 1.00 0.00 C ATOM 87 CG HIS A 9 14.704 -1.167 9.395 1.00 0.00 C ATOM 88 ND1 HIS A 9 14.115 0.075 9.275 1.00 0.00 N ATOM 89 CD2 HIS A 9 15.947 -1.044 8.873 1.00 0.00 C ATOM 90 CE1 HIS A 9 14.966 0.910 8.705 1.00 0.00 C ATOM 91 NE2 HIS A 9 16.085 0.256 8.451 1.00 0.00 N ATOM 0 H HIS A 9 11.532 -1.880 9.339 1.00 0.00 H new ATOM 0 HA HIS A 9 13.775 -3.354 8.119 1.00 0.00 H new ATOM 0 HB2 HIS A 9 13.362 -2.000 10.808 1.00 0.00 H new ATOM 0 HB3 HIS A 9 14.752 -3.006 10.448 1.00 0.00 H new ATOM 0 HD2 HIS A 9 16.692 -1.823 8.802 1.00 0.00 H new ATOM 0 HE1 HIS A 9 14.778 1.950 8.484 1.00 0.00 H new ATOM 0 HE2 HIS A 9 16.917 0.652 8.013 1.00 0.00 H new ATOM 100 N VAL A 10 11.903 -4.396 10.647 1.00 0.00 N ATOM 101 CA VAL A 10 11.419 -5.591 11.328 1.00 0.00 C ATOM 102 C VAL A 10 10.072 -6.035 10.767 1.00 0.00 C ATOM 103 O VAL A 10 9.316 -5.226 10.229 1.00 0.00 O ATOM 104 CB VAL A 10 11.279 -5.356 12.843 1.00 0.00 C ATOM 105 CG1 VAL A 10 10.271 -4.251 13.122 1.00 0.00 C ATOM 106 CG2 VAL A 10 10.879 -6.644 13.547 1.00 0.00 C ATOM 0 H VAL A 10 11.543 -3.520 11.026 1.00 0.00 H new ATOM 0 HA VAL A 10 12.157 -6.374 11.156 1.00 0.00 H new ATOM 0 HB VAL A 10 12.246 -5.040 13.235 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.186 -4.099 14.198 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.605 -3.327 12.651 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.299 -4.534 12.717 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.785 -6.460 14.617 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.924 -6.993 13.153 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.641 -7.404 13.376 1.00 0.00 H new ATOM 116 N GLU A 11 9.780 -7.325 10.896 1.00 0.00 N ATOM 117 CA GLU A 11 8.524 -7.876 10.401 1.00 0.00 C ATOM 118 C GLU A 11 7.343 -7.358 11.217 1.00 0.00 C ATOM 119 O GLU A 11 6.924 -7.985 12.190 1.00 0.00 O ATOM 120 CB GLU A 11 8.558 -9.405 10.448 1.00 0.00 C ATOM 121 CG GLU A 11 9.277 -10.034 9.267 1.00 0.00 C ATOM 122 CD GLU A 11 10.785 -9.912 9.369 1.00 0.00 C ATOM 123 OE1 GLU A 11 11.400 -10.723 10.092 1.00 0.00 O ATOM 124 OE2 GLU A 11 11.351 -9.004 8.724 1.00 0.00 O ATOM 0 H GLU A 11 10.395 -8.008 11.339 1.00 0.00 H new ATOM 0 HA GLU A 11 8.399 -7.554 9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.046 -9.721 11.370 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.536 -9.782 10.483 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.005 -11.087 9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.939 -9.559 8.346 1.00 0.00 H new ATOM 131 N ASP A 12 6.812 -6.209 10.814 1.00 0.00 N ATOM 132 CA ASP A 12 5.680 -5.605 11.507 1.00 0.00 C ATOM 133 C ASP A 12 4.560 -5.268 10.527 1.00 0.00 C ATOM 134 O ASP A 12 4.801 -5.084 9.334 1.00 0.00 O ATOM 135 CB ASP A 12 6.122 -4.342 12.249 1.00 0.00 C ATOM 136 CG ASP A 12 5.275 -4.064 13.475 1.00 0.00 C ATOM 137 OD1 ASP A 12 4.597 -4.999 13.953 1.00 0.00 O ATOM 138 OD2 ASP A 12 5.290 -2.913 13.957 1.00 0.00 O ATOM 0 H ASP A 12 7.147 -5.677 10.011 1.00 0.00 H new ATOM 0 HA ASP A 12 5.301 -6.328 12.230 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.165 -4.446 12.548 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.068 -3.489 11.573 1.00 0.00 H new ATOM 143 N ALA A 13 3.336 -5.190 11.039 1.00 0.00 N ATOM 144 CA ALA A 13 2.180 -4.875 10.209 1.00 0.00 C ATOM 145 C ALA A 13 1.651 -3.477 10.513 1.00 0.00 C ATOM 146 O ALA A 13 1.804 -2.557 9.709 1.00 0.00 O ATOM 147 CB ALA A 13 1.085 -5.911 10.414 1.00 0.00 C ATOM 0 H ALA A 13 3.120 -5.341 12.024 1.00 0.00 H new ATOM 0 HA ALA A 13 2.496 -4.897 9.166 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.228 -5.663 9.788 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.461 -6.897 10.141 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.780 -5.916 11.461 1.00 0.00 H new ATOM 153 N LEU A 14 1.029 -3.325 11.676 1.00 0.00 N ATOM 154 CA LEU A 14 0.477 -2.038 12.086 1.00 0.00 C ATOM 155 C LEU A 14 1.458 -0.907 11.795 1.00 0.00 C ATOM 156 O LEU A 14 1.064 0.251 11.654 1.00 0.00 O ATOM 157 CB LEU A 14 0.133 -2.060 13.576 1.00 0.00 C ATOM 158 CG LEU A 14 1.312 -2.238 14.534 1.00 0.00 C ATOM 159 CD1 LEU A 14 2.087 -3.502 14.198 1.00 0.00 C ATOM 160 CD2 LEU A 14 2.225 -1.021 14.488 1.00 0.00 C ATOM 0 H LEU A 14 0.894 -4.076 12.352 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.433 -1.861 11.512 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.374 -1.128 13.825 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.578 -2.867 13.753 1.00 0.00 H new ATOM 0 HG LEU A 14 0.921 -2.336 15.547 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.922 -3.612 14.890 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.428 -4.366 14.284 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.467 -3.436 13.179 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.058 -1.165 15.176 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.608 -0.892 13.476 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.663 -0.134 14.780 1.00 0.00 H new ATOM 172 N THR A 15 2.739 -1.250 11.703 1.00 0.00 N ATOM 173 CA THR A 15 3.777 -0.265 11.427 1.00 0.00 C ATOM 174 C THR A 15 3.376 0.647 10.273 1.00 0.00 C ATOM 175 O THR A 15 3.758 1.817 10.233 1.00 0.00 O ATOM 176 CB THR A 15 5.119 -0.941 11.090 1.00 0.00 C ATOM 177 OG1 THR A 15 6.084 0.047 10.711 1.00 0.00 O ATOM 178 CG2 THR A 15 4.948 -1.949 9.963 1.00 0.00 C ATOM 0 H THR A 15 3.083 -2.204 11.816 1.00 0.00 H new ATOM 0 HA THR A 15 3.897 0.330 12.332 1.00 0.00 H new ATOM 0 HB THR A 15 5.469 -1.468 11.978 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.935 -0.391 10.500 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.909 -2.414 9.742 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.235 -2.716 10.266 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.578 -1.440 9.073 1.00 0.00 H new ATOM 186 N TYR A 16 2.604 0.105 9.338 1.00 0.00 N ATOM 187 CA TYR A 16 2.153 0.871 8.182 1.00 0.00 C ATOM 188 C TYR A 16 0.824 1.563 8.471 1.00 0.00 C ATOM 189 O TYR A 16 0.649 2.745 8.175 1.00 0.00 O ATOM 190 CB TYR A 16 2.010 -0.043 6.963 1.00 0.00 C ATOM 191 CG TYR A 16 1.548 0.678 5.717 1.00 0.00 C ATOM 192 CD1 TYR A 16 0.195 0.848 5.450 1.00 0.00 C ATOM 193 CD2 TYR A 16 2.465 1.189 4.807 1.00 0.00 C ATOM 194 CE1 TYR A 16 -0.231 1.505 4.312 1.00 0.00 C ATOM 195 CE2 TYR A 16 2.047 1.849 3.667 1.00 0.00 C ATOM 196 CZ TYR A 16 0.698 2.004 3.424 1.00 0.00 C ATOM 197 OH TYR A 16 0.278 2.660 2.290 1.00 0.00 O ATOM 0 H TYR A 16 2.278 -0.861 9.358 1.00 0.00 H new ATOM 0 HA TYR A 16 2.901 1.635 7.970 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.969 -0.520 6.762 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.302 -0.838 7.196 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.536 0.460 6.144 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.522 1.068 4.994 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -1.287 1.627 4.119 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.773 2.241 2.970 1.00 0.00 H new ATOM 0 HH TYR A 16 1.037 2.780 1.682 1.00 0.00 H new ATOM 207 N LEU A 17 -0.109 0.817 9.052 1.00 0.00 N ATOM 208 CA LEU A 17 -1.423 1.357 9.383 1.00 0.00 C ATOM 209 C LEU A 17 -1.295 2.633 10.209 1.00 0.00 C ATOM 210 O LEU A 17 -1.951 3.636 9.925 1.00 0.00 O ATOM 211 CB LEU A 17 -2.244 0.320 10.152 1.00 0.00 C ATOM 212 CG LEU A 17 -3.763 0.457 10.051 1.00 0.00 C ATOM 213 CD1 LEU A 17 -4.258 1.586 10.941 1.00 0.00 C ATOM 214 CD2 LEU A 17 -4.182 0.692 8.607 1.00 0.00 C ATOM 0 H LEU A 17 0.020 -0.163 9.304 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.934 1.598 8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.964 -0.672 9.796 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.964 0.372 11.204 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.216 -0.473 10.394 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.342 1.668 10.856 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.990 1.377 11.977 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.797 2.524 10.629 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.267 0.787 8.554 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.719 1.607 8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.861 -0.150 7.993 1.00 0.00 H new ATOM 226 N ASP A 18 -0.445 2.589 11.229 1.00 0.00 N ATOM 227 CA ASP A 18 -0.228 3.743 12.093 1.00 0.00 C ATOM 228 C ASP A 18 0.200 4.960 11.279 1.00 0.00 C ATOM 229 O ASP A 18 -0.444 6.007 11.325 1.00 0.00 O ATOM 230 CB ASP A 18 0.830 3.423 13.151 1.00 0.00 C ATOM 231 CG ASP A 18 0.946 4.510 14.201 1.00 0.00 C ATOM 232 OD1 ASP A 18 0.591 5.669 13.898 1.00 0.00 O ATOM 233 OD2 ASP A 18 1.390 4.203 15.326 1.00 0.00 O ATOM 0 H ASP A 18 0.105 1.767 11.478 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.170 3.975 12.590 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.581 2.479 13.636 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.796 3.287 12.665 1.00 0.00 H new ATOM 238 N GLN A 19 1.292 4.813 10.535 1.00 0.00 N ATOM 239 CA GLN A 19 1.807 5.900 9.712 1.00 0.00 C ATOM 240 C GLN A 19 0.672 6.629 9.000 1.00 0.00 C ATOM 241 O GLN A 19 0.564 7.853 9.074 1.00 0.00 O ATOM 242 CB GLN A 19 2.806 5.363 8.686 1.00 0.00 C ATOM 243 CG GLN A 19 4.061 4.773 9.310 1.00 0.00 C ATOM 244 CD GLN A 19 5.138 5.813 9.549 1.00 0.00 C ATOM 245 OE1 GLN A 19 5.230 6.805 8.827 1.00 0.00 O ATOM 246 NE2 GLN A 19 5.960 5.591 10.569 1.00 0.00 N ATOM 0 H GLN A 19 1.837 3.952 10.486 1.00 0.00 H new ATOM 0 HA GLN A 19 2.315 6.608 10.367 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.318 4.599 8.081 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.091 6.170 8.011 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.803 4.299 10.257 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.453 3.992 8.659 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.847 4.755 11.142 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.704 6.257 10.779 1.00 0.00 H new ATOM 255 N VAL A 20 -0.172 5.868 8.310 1.00 0.00 N ATOM 256 CA VAL A 20 -1.300 6.442 7.585 1.00 0.00 C ATOM 257 C VAL A 20 -2.181 7.274 8.510 1.00 0.00 C ATOM 258 O VAL A 20 -2.589 8.383 8.165 1.00 0.00 O ATOM 259 CB VAL A 20 -2.158 5.346 6.925 1.00 0.00 C ATOM 260 CG1 VAL A 20 -3.328 5.964 6.174 1.00 0.00 C ATOM 261 CG2 VAL A 20 -1.308 4.493 5.995 1.00 0.00 C ATOM 0 H VAL A 20 -0.096 4.853 8.238 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.885 7.085 6.809 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.559 4.702 7.707 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.923 5.175 5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.949 6.528 6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.951 6.632 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.930 3.724 5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.877 5.122 5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.507 4.021 6.564 1.00 0.00 H new ATOM 271 N LYS A 21 -2.473 6.731 9.687 1.00 0.00 N ATOM 272 CA LYS A 21 -3.305 7.423 10.664 1.00 0.00 C ATOM 273 C LYS A 21 -2.685 8.760 11.057 1.00 0.00 C ATOM 274 O LYS A 21 -3.333 9.804 10.976 1.00 0.00 O ATOM 275 CB LYS A 21 -3.499 6.553 11.907 1.00 0.00 C ATOM 276 CG LYS A 21 -4.672 6.980 12.772 1.00 0.00 C ATOM 277 CD LYS A 21 -4.759 6.152 14.043 1.00 0.00 C ATOM 278 CE LYS A 21 -3.736 6.604 15.074 1.00 0.00 C ATOM 279 NZ LYS A 21 -4.133 7.883 15.725 1.00 0.00 N ATOM 0 H LYS A 21 -2.145 5.813 9.988 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.276 7.614 10.207 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.645 5.518 11.597 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.588 6.581 12.505 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.570 8.034 13.030 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.598 6.878 12.206 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.761 6.233 14.464 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.597 5.101 13.805 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.620 5.831 15.833 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.766 6.727 14.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.495 8.079 16.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.072 8.658 15.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.110 7.806 16.074 1.00 0.00 H new ATOM 293 N ILE A 22 -1.427 8.721 11.482 1.00 0.00 N ATOM 294 CA ILE A 22 -0.719 9.929 11.886 1.00 0.00 C ATOM 295 C ILE A 22 -0.723 10.967 10.769 1.00 0.00 C ATOM 296 O ILE A 22 -1.319 12.036 10.903 1.00 0.00 O ATOM 297 CB ILE A 22 0.738 9.623 12.282 1.00 0.00 C ATOM 298 CG1 ILE A 22 0.775 8.631 13.445 1.00 0.00 C ATOM 299 CG2 ILE A 22 1.467 10.907 12.649 1.00 0.00 C ATOM 300 CD1 ILE A 22 2.124 7.974 13.636 1.00 0.00 C ATOM 0 H ILE A 22 -0.877 7.865 11.556 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.246 10.328 12.753 1.00 0.00 H new ATOM 0 HB ILE A 22 1.245 9.172 11.429 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.499 9.150 14.363 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.024 7.859 13.277 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.495 10.675 12.927 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.466 11.583 11.794 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.963 11.384 13.490 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.076 7.283 14.478 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.393 7.427 12.733 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.876 8.738 13.835 1.00 0.00 H new ATOM 312 N ARG A 23 -0.055 10.645 9.666 1.00 0.00 N ATOM 313 CA ARG A 23 0.018 11.549 8.525 1.00 0.00 C ATOM 314 C ARG A 23 -1.340 12.188 8.250 1.00 0.00 C ATOM 315 O ARG A 23 -1.498 13.405 8.356 1.00 0.00 O ATOM 316 CB ARG A 23 0.501 10.798 7.282 1.00 0.00 C ATOM 317 CG ARG A 23 1.222 11.683 6.279 1.00 0.00 C ATOM 318 CD ARG A 23 0.241 12.463 5.418 1.00 0.00 C ATOM 319 NE ARG A 23 0.870 13.617 4.780 1.00 0.00 N ATOM 320 CZ ARG A 23 1.010 14.798 5.372 1.00 0.00 C ATOM 321 NH1 ARG A 23 0.567 14.980 6.608 1.00 0.00 N ATOM 322 NH2 ARG A 23 1.593 15.800 4.726 1.00 0.00 N ATOM 0 H ARG A 23 0.444 9.764 9.539 1.00 0.00 H new ATOM 0 HA ARG A 23 0.730 12.339 8.764 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.169 9.994 7.590 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.355 10.332 6.794 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.875 12.377 6.808 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.859 11.069 5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.172 11.806 4.653 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.594 12.799 6.033 1.00 0.00 H new ATOM 0 HE ARG A 23 1.221 13.510 3.828 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.117 14.212 7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.676 15.888 7.060 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.934 15.664 3.774 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.700 16.707 5.181 1.00 0.00 H new ATOM 336 N PHE A 24 -2.317 11.360 7.896 1.00 0.00 N ATOM 337 CA PHE A 24 -3.662 11.844 7.605 1.00 0.00 C ATOM 338 C PHE A 24 -4.499 11.923 8.878 1.00 0.00 C ATOM 339 O PHE A 24 -5.645 11.475 8.909 1.00 0.00 O ATOM 340 CB PHE A 24 -4.346 10.930 6.586 1.00 0.00 C ATOM 341 CG PHE A 24 -3.706 10.962 5.228 1.00 0.00 C ATOM 342 CD1 PHE A 24 -3.634 12.144 4.508 1.00 0.00 C ATOM 343 CD2 PHE A 24 -3.176 9.809 4.670 1.00 0.00 C ATOM 344 CE1 PHE A 24 -3.046 12.175 3.258 1.00 0.00 C ATOM 345 CE2 PHE A 24 -2.587 9.834 3.420 1.00 0.00 C ATOM 346 CZ PHE A 24 -2.521 11.019 2.714 1.00 0.00 C ATOM 0 H PHE A 24 -2.203 10.351 7.804 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.578 12.846 7.185 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.333 9.907 6.961 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.392 11.222 6.493 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.042 13.051 4.929 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.224 8.880 5.219 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.997 13.102 2.707 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.179 8.928 2.996 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.060 11.042 1.738 1.00 0.00 H new ATOM 356 N GLY A 25 -3.918 12.497 9.927 1.00 0.00 N ATOM 357 CA GLY A 25 -4.624 12.624 11.189 1.00 0.00 C ATOM 358 C GLY A 25 -5.824 13.545 11.091 1.00 0.00 C ATOM 359 O GLY A 25 -6.935 13.169 11.464 1.00 0.00 O ATOM 0 H GLY A 25 -2.971 12.876 9.926 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.952 11.638 11.519 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.940 13.003 11.948 1.00 0.00 H new ATOM 363 N SER A 26 -5.600 14.755 10.591 1.00 0.00 N ATOM 364 CA SER A 26 -6.671 15.735 10.451 1.00 0.00 C ATOM 365 C SER A 26 -7.213 15.747 9.025 1.00 0.00 C ATOM 366 O SER A 26 -7.603 16.793 8.506 1.00 0.00 O ATOM 367 CB SER A 26 -6.168 17.129 10.829 1.00 0.00 C ATOM 368 OG SER A 26 -7.243 17.978 11.191 1.00 0.00 O ATOM 0 H SER A 26 -4.686 15.081 10.276 1.00 0.00 H new ATOM 0 HA SER A 26 -7.479 15.453 11.126 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.465 17.053 11.659 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.624 17.563 9.990 1.00 0.00 H new ATOM 0 HG SER A 26 -7.900 18.002 10.464 1.00 0.00 H new ATOM 374 N ASP A 27 -7.234 14.577 8.396 1.00 0.00 N ATOM 375 CA ASP A 27 -7.729 14.451 7.030 1.00 0.00 C ATOM 376 C ASP A 27 -8.678 13.263 6.904 1.00 0.00 C ATOM 377 O ASP A 27 -8.298 12.179 6.461 1.00 0.00 O ATOM 378 CB ASP A 27 -6.562 14.293 6.055 1.00 0.00 C ATOM 379 CG ASP A 27 -5.780 15.580 5.875 1.00 0.00 C ATOM 380 OD1 ASP A 27 -5.556 16.284 6.882 1.00 0.00 O ATOM 381 OD2 ASP A 27 -5.391 15.882 4.728 1.00 0.00 O ATOM 0 H ASP A 27 -6.914 13.702 8.811 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.278 15.360 6.783 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.893 13.512 6.417 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.942 13.964 5.088 1.00 0.00 H new ATOM 386 N PRO A 28 -9.942 13.470 7.302 1.00 0.00 N ATOM 387 CA PRO A 28 -10.971 12.428 7.242 1.00 0.00 C ATOM 388 C PRO A 28 -11.373 12.091 5.811 1.00 0.00 C ATOM 389 O PRO A 28 -11.839 10.987 5.531 1.00 0.00 O ATOM 390 CB PRO A 28 -12.149 13.050 7.997 1.00 0.00 C ATOM 391 CG PRO A 28 -11.952 14.520 7.862 1.00 0.00 C ATOM 392 CD PRO A 28 -10.464 14.738 7.839 1.00 0.00 C ATOM 0 HA PRO A 28 -10.623 11.487 7.667 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -13.102 12.738 7.570 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.153 12.746 9.044 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.415 14.894 6.949 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.412 15.053 8.694 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.191 15.584 7.208 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.073 14.944 8.835 1.00 0.00 H new ATOM 400 N ALA A 29 -11.190 13.049 4.908 1.00 0.00 N ATOM 401 CA ALA A 29 -11.532 12.852 3.505 1.00 0.00 C ATOM 402 C ALA A 29 -10.666 11.765 2.877 1.00 0.00 C ATOM 403 O ALA A 29 -11.157 10.924 2.123 1.00 0.00 O ATOM 404 CB ALA A 29 -11.383 14.158 2.738 1.00 0.00 C ATOM 0 H ALA A 29 -10.807 13.969 5.123 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.571 12.528 3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.641 13.997 1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.048 14.908 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.352 14.505 2.808 1.00 0.00 H new ATOM 410 N THR A 30 -9.374 11.789 3.190 1.00 0.00 N ATOM 411 CA THR A 30 -8.440 10.807 2.654 1.00 0.00 C ATOM 412 C THR A 30 -8.471 9.518 3.467 1.00 0.00 C ATOM 413 O THR A 30 -8.488 8.421 2.908 1.00 0.00 O ATOM 414 CB THR A 30 -7.000 11.354 2.635 1.00 0.00 C ATOM 415 OG1 THR A 30 -6.928 12.516 1.801 1.00 0.00 O ATOM 416 CG2 THR A 30 -6.027 10.299 2.130 1.00 0.00 C ATOM 0 H THR A 30 -8.951 12.478 3.812 1.00 0.00 H new ATOM 0 HA THR A 30 -8.755 10.596 1.632 1.00 0.00 H new ATOM 0 HB THR A 30 -6.723 11.622 3.655 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.010 12.858 1.796 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.017 10.708 2.125 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.063 9.428 2.784 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.303 10.004 1.118 1.00 0.00 H new ATOM 424 N TYR A 31 -8.480 9.657 4.788 1.00 0.00 N ATOM 425 CA TYR A 31 -8.507 8.503 5.678 1.00 0.00 C ATOM 426 C TYR A 31 -9.732 7.634 5.406 1.00 0.00 C ATOM 427 O TYR A 31 -9.649 6.407 5.407 1.00 0.00 O ATOM 428 CB TYR A 31 -8.505 8.958 7.138 1.00 0.00 C ATOM 429 CG TYR A 31 -7.862 7.965 8.081 1.00 0.00 C ATOM 430 CD1 TYR A 31 -6.618 7.416 7.799 1.00 0.00 C ATOM 431 CD2 TYR A 31 -8.500 7.578 9.253 1.00 0.00 C ATOM 432 CE1 TYR A 31 -6.027 6.509 8.657 1.00 0.00 C ATOM 433 CE2 TYR A 31 -7.916 6.672 10.118 1.00 0.00 C ATOM 434 CZ TYR A 31 -6.680 6.140 9.815 1.00 0.00 C ATOM 435 OH TYR A 31 -6.094 5.238 10.673 1.00 0.00 O ATOM 0 H TYR A 31 -8.469 10.558 5.266 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.613 7.909 5.488 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.979 9.910 7.212 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.532 9.136 7.456 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.104 7.703 6.894 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.468 7.992 9.492 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.059 6.091 8.423 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.424 6.382 11.026 1.00 0.00 H new ATOM 0 HH TYR A 31 -6.683 5.087 11.441 1.00 0.00 H new ATOM 445 N ASN A 32 -10.869 8.283 5.172 1.00 0.00 N ATOM 446 CA ASN A 32 -12.112 7.571 4.898 1.00 0.00 C ATOM 447 C ASN A 32 -11.968 6.677 3.670 1.00 0.00 C ATOM 448 O ASN A 32 -12.248 5.480 3.725 1.00 0.00 O ATOM 449 CB ASN A 32 -13.256 8.564 4.687 1.00 0.00 C ATOM 450 CG ASN A 32 -13.908 8.981 5.992 1.00 0.00 C ATOM 451 OD1 ASN A 32 -13.566 8.472 7.059 1.00 0.00 O ATOM 452 ND2 ASN A 32 -14.853 9.910 5.911 1.00 0.00 N ATOM 0 H ASN A 32 -10.955 9.299 5.167 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.339 6.942 5.759 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -12.876 9.448 4.175 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.007 8.116 4.036 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.328 10.229 6.755 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.104 10.304 5.004 1.00 0.00 H new ATOM 459 N GLY A 33 -11.527 7.267 2.563 1.00 0.00 N ATOM 460 CA GLY A 33 -11.353 6.509 1.338 1.00 0.00 C ATOM 461 C GLY A 33 -10.626 5.198 1.565 1.00 0.00 C ATOM 462 O GLY A 33 -10.941 4.188 0.936 1.00 0.00 O ATOM 0 H GLY A 33 -11.287 8.256 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.329 6.308 0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.796 7.110 0.619 1.00 0.00 H new ATOM 466 N PHE A 34 -9.649 5.214 2.466 1.00 0.00 N ATOM 467 CA PHE A 34 -8.873 4.018 2.774 1.00 0.00 C ATOM 468 C PHE A 34 -9.735 2.978 3.484 1.00 0.00 C ATOM 469 O PHE A 34 -9.853 1.839 3.032 1.00 0.00 O ATOM 470 CB PHE A 34 -7.666 4.377 3.643 1.00 0.00 C ATOM 471 CG PHE A 34 -6.785 3.202 3.959 1.00 0.00 C ATOM 472 CD1 PHE A 34 -6.150 2.502 2.946 1.00 0.00 C ATOM 473 CD2 PHE A 34 -6.592 2.798 5.270 1.00 0.00 C ATOM 474 CE1 PHE A 34 -5.340 1.421 3.235 1.00 0.00 C ATOM 475 CE2 PHE A 34 -5.782 1.717 5.565 1.00 0.00 C ATOM 476 CZ PHE A 34 -5.154 1.028 4.546 1.00 0.00 C ATOM 0 H PHE A 34 -9.376 6.042 2.996 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.521 3.592 1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.075 5.138 3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.018 4.818 4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.290 2.805 1.919 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.080 3.334 6.071 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.852 0.883 2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.641 1.412 6.591 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.519 0.184 4.774 1.00 0.00 H new ATOM 486 N LEU A 35 -10.334 3.378 4.600 1.00 0.00 N ATOM 487 CA LEU A 35 -11.185 2.482 5.375 1.00 0.00 C ATOM 488 C LEU A 35 -12.229 1.817 4.484 1.00 0.00 C ATOM 489 O LEU A 35 -12.508 0.626 4.622 1.00 0.00 O ATOM 490 CB LEU A 35 -11.876 3.251 6.503 1.00 0.00 C ATOM 491 CG LEU A 35 -10.963 3.789 7.606 1.00 0.00 C ATOM 492 CD1 LEU A 35 -11.611 4.973 8.305 1.00 0.00 C ATOM 493 CD2 LEU A 35 -10.633 2.691 8.607 1.00 0.00 C ATOM 0 H LEU A 35 -10.246 4.317 4.989 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.554 1.705 5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.417 4.090 6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.618 2.597 6.960 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.033 4.128 7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.947 5.342 9.086 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.796 5.767 7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.556 4.660 8.750 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.983 3.091 9.385 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.554 2.322 9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.126 1.873 8.096 1.00 0.00 H new ATOM 505 N GLU A 36 -12.801 2.594 3.570 1.00 0.00 N ATOM 506 CA GLU A 36 -13.814 2.078 2.656 1.00 0.00 C ATOM 507 C GLU A 36 -13.262 0.920 1.830 1.00 0.00 C ATOM 508 O GLU A 36 -13.866 -0.151 1.762 1.00 0.00 O ATOM 509 CB GLU A 36 -14.309 3.190 1.728 1.00 0.00 C ATOM 510 CG GLU A 36 -15.352 4.093 2.363 1.00 0.00 C ATOM 511 CD GLU A 36 -16.154 4.870 1.337 1.00 0.00 C ATOM 512 OE1 GLU A 36 -16.903 4.234 0.566 1.00 0.00 O ATOM 513 OE2 GLU A 36 -16.033 6.112 1.305 1.00 0.00 O ATOM 0 H GLU A 36 -12.581 3.582 3.442 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.651 1.711 3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.459 3.796 1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -14.729 2.741 0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.030 3.490 2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.859 4.792 3.038 1.00 0.00 H new ATOM 520 N ILE A 37 -12.111 1.143 1.203 1.00 0.00 N ATOM 521 CA ILE A 37 -11.477 0.119 0.383 1.00 0.00 C ATOM 522 C ILE A 37 -11.234 -1.155 1.185 1.00 0.00 C ATOM 523 O ILE A 37 -11.379 -2.263 0.669 1.00 0.00 O ATOM 524 CB ILE A 37 -10.138 0.611 -0.197 1.00 0.00 C ATOM 525 CG1 ILE A 37 -10.349 1.887 -1.014 1.00 0.00 C ATOM 526 CG2 ILE A 37 -9.501 -0.474 -1.053 1.00 0.00 C ATOM 527 CD1 ILE A 37 -9.115 2.756 -1.107 1.00 0.00 C ATOM 0 H ILE A 37 -11.599 2.024 1.248 1.00 0.00 H new ATOM 0 HA ILE A 37 -12.161 -0.096 -0.438 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.463 0.838 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.669 1.616 -2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.158 2.465 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.555 -0.111 -1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.320 -1.359 -0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -10.171 -0.730 -1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.338 3.643 -1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.806 3.058 -0.106 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.310 2.195 -1.582 1.00 0.00 H new ATOM 539 N MET A 38 -10.865 -0.990 2.451 1.00 0.00 N ATOM 540 CA MET A 38 -10.604 -2.127 3.325 1.00 0.00 C ATOM 541 C MET A 38 -11.830 -3.029 3.424 1.00 0.00 C ATOM 542 O MET A 38 -11.748 -4.234 3.180 1.00 0.00 O ATOM 543 CB MET A 38 -10.199 -1.643 4.719 1.00 0.00 C ATOM 544 CG MET A 38 -8.752 -1.189 4.808 1.00 0.00 C ATOM 545 SD MET A 38 -7.603 -2.564 5.012 1.00 0.00 S ATOM 546 CE MET A 38 -7.231 -2.950 3.303 1.00 0.00 C ATOM 0 H MET A 38 -10.740 -0.080 2.894 1.00 0.00 H new ATOM 0 HA MET A 38 -9.784 -2.703 2.896 1.00 0.00 H new ATOM 0 HB2 MET A 38 -10.849 -0.818 5.011 1.00 0.00 H new ATOM 0 HB3 MET A 38 -10.364 -2.447 5.436 1.00 0.00 H new ATOM 0 HG2 MET A 38 -8.493 -0.635 3.906 1.00 0.00 H new ATOM 0 HG3 MET A 38 -8.642 -0.501 5.647 1.00 0.00 H new ATOM 0 HE1 MET A 38 -7.696 -3.899 3.035 1.00 0.00 H new ATOM 0 HE2 MET A 38 -7.619 -2.161 2.659 1.00 0.00 H new ATOM 0 HE3 MET A 38 -6.151 -3.025 3.174 1.00 0.00 H new ATOM 556 N LYS A 39 -12.966 -2.440 3.782 1.00 0.00 N ATOM 557 CA LYS A 39 -14.210 -3.190 3.911 1.00 0.00 C ATOM 558 C LYS A 39 -14.350 -4.209 2.785 1.00 0.00 C ATOM 559 O LYS A 39 -14.598 -5.389 3.032 1.00 0.00 O ATOM 560 CB LYS A 39 -15.407 -2.237 3.903 1.00 0.00 C ATOM 561 CG LYS A 39 -15.533 -1.407 5.169 1.00 0.00 C ATOM 562 CD LYS A 39 -16.210 -0.075 4.897 1.00 0.00 C ATOM 563 CE LYS A 39 -17.724 -0.215 4.867 1.00 0.00 C ATOM 564 NZ LYS A 39 -18.208 -0.725 3.554 1.00 0.00 N ATOM 0 H LYS A 39 -13.051 -1.445 3.988 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.186 -3.725 4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.322 -1.568 3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -16.320 -2.816 3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.105 -1.961 5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.543 -1.234 5.592 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.925 0.643 5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.861 0.324 3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.042 -0.893 5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.182 0.752 5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.180 -0.393 3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.589 -0.374 2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.194 -1.765 3.559 1.00 0.00 H new ATOM 578 N GLU A 40 -14.189 -3.746 1.550 1.00 0.00 N ATOM 579 CA GLU A 40 -14.297 -4.619 0.387 1.00 0.00 C ATOM 580 C GLU A 40 -13.556 -5.932 0.621 1.00 0.00 C ATOM 581 O GLU A 40 -14.150 -7.010 0.575 1.00 0.00 O ATOM 582 CB GLU A 40 -13.741 -3.922 -0.856 1.00 0.00 C ATOM 583 CG GLU A 40 -14.644 -2.825 -1.395 1.00 0.00 C ATOM 584 CD GLU A 40 -15.685 -3.350 -2.364 1.00 0.00 C ATOM 585 OE1 GLU A 40 -15.315 -3.680 -3.510 1.00 0.00 O ATOM 586 OE2 GLU A 40 -16.870 -3.432 -1.977 1.00 0.00 O ATOM 0 H GLU A 40 -13.983 -2.772 1.329 1.00 0.00 H new ATOM 0 HA GLU A 40 -15.352 -4.841 0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.767 -3.495 -0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.580 -4.665 -1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.145 -2.330 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.035 -2.071 -1.895 1.00 0.00 H new ATOM 593 N PHE A 41 -12.255 -5.834 0.873 1.00 0.00 N ATOM 594 CA PHE A 41 -11.431 -7.013 1.113 1.00 0.00 C ATOM 595 C PHE A 41 -11.983 -7.835 2.274 1.00 0.00 C ATOM 596 O PHE A 41 -11.983 -9.065 2.235 1.00 0.00 O ATOM 597 CB PHE A 41 -9.987 -6.601 1.406 1.00 0.00 C ATOM 598 CG PHE A 41 -9.045 -7.764 1.526 1.00 0.00 C ATOM 599 CD1 PHE A 41 -8.402 -8.271 0.408 1.00 0.00 C ATOM 600 CD2 PHE A 41 -8.801 -8.351 2.758 1.00 0.00 C ATOM 601 CE1 PHE A 41 -7.534 -9.341 0.515 1.00 0.00 C ATOM 602 CE2 PHE A 41 -7.934 -9.421 2.871 1.00 0.00 C ATOM 603 CZ PHE A 41 -7.301 -9.918 1.748 1.00 0.00 C ATOM 0 H PHE A 41 -11.748 -4.950 0.916 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.450 -7.628 0.214 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.638 -5.941 0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -9.962 -6.026 2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.581 -7.824 -0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -9.294 -7.968 3.639 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.039 -9.725 -0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.751 -9.869 3.837 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.625 -10.756 1.834 1.00 0.00 H new ATOM 613 N LYS A 42 -12.454 -7.145 3.308 1.00 0.00 N ATOM 614 CA LYS A 42 -13.010 -7.809 4.481 1.00 0.00 C ATOM 615 C LYS A 42 -14.220 -8.658 4.103 1.00 0.00 C ATOM 616 O LYS A 42 -14.454 -9.716 4.687 1.00 0.00 O ATOM 617 CB LYS A 42 -13.409 -6.774 5.536 1.00 0.00 C ATOM 618 CG LYS A 42 -13.546 -7.353 6.934 1.00 0.00 C ATOM 619 CD LYS A 42 -14.058 -6.316 7.919 1.00 0.00 C ATOM 620 CE LYS A 42 -15.566 -6.145 7.816 1.00 0.00 C ATOM 621 NZ LYS A 42 -15.940 -5.103 6.821 1.00 0.00 N ATOM 0 H LYS A 42 -12.462 -6.126 3.357 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.244 -8.464 4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.664 -5.978 5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.356 -6.318 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.228 -8.203 6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.579 -7.729 7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.793 -6.614 8.933 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.569 -5.360 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.021 -7.095 7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.968 -5.875 8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.712 -4.520 7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.116 -4.500 6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.253 -5.560 5.941 1.00 0.00 H new ATOM 635 N SER A 43 -14.984 -8.188 3.123 1.00 0.00 N ATOM 636 CA SER A 43 -16.171 -8.903 2.669 1.00 0.00 C ATOM 637 C SER A 43 -15.830 -9.848 1.521 1.00 0.00 C ATOM 638 O SER A 43 -16.684 -10.171 0.696 1.00 0.00 O ATOM 639 CB SER A 43 -17.251 -7.914 2.227 1.00 0.00 C ATOM 640 OG SER A 43 -18.049 -7.505 3.325 1.00 0.00 O ATOM 0 H SER A 43 -14.802 -7.315 2.628 1.00 0.00 H new ATOM 0 HA SER A 43 -16.550 -9.494 3.503 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.784 -7.042 1.768 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.882 -8.375 1.467 1.00 0.00 H new ATOM 0 HG SER A 43 -18.730 -6.872 3.016 1.00 0.00 H new ATOM 646 N GLN A 44 -14.577 -10.287 1.477 1.00 0.00 N ATOM 647 CA GLN A 44 -14.122 -11.195 0.431 1.00 0.00 C ATOM 648 C GLN A 44 -14.587 -10.719 -0.942 1.00 0.00 C ATOM 649 O GLN A 44 -14.824 -11.525 -1.841 1.00 0.00 O ATOM 650 CB GLN A 44 -14.638 -12.611 0.694 1.00 0.00 C ATOM 651 CG GLN A 44 -14.145 -13.203 2.005 1.00 0.00 C ATOM 652 CD GLN A 44 -14.024 -14.713 1.953 1.00 0.00 C ATOM 653 OE1 GLN A 44 -14.074 -15.316 0.881 1.00 0.00 O ATOM 654 NE2 GLN A 44 -13.863 -15.334 3.116 1.00 0.00 N ATOM 0 H GLN A 44 -13.859 -10.029 2.153 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.032 -11.206 0.443 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -15.728 -12.597 0.698 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.331 -13.259 -0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.174 -12.773 2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.830 -12.924 2.806 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -13.827 -14.795 3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -13.775 -16.350 3.144 1.00 0.00 H new ATOM 663 N SER A 45 -14.715 -9.405 -1.095 1.00 0.00 N ATOM 664 CA SER A 45 -15.155 -8.822 -2.357 1.00 0.00 C ATOM 665 C SER A 45 -13.985 -8.674 -3.325 1.00 0.00 C ATOM 666 O SER A 45 -14.051 -9.126 -4.469 1.00 0.00 O ATOM 667 CB SER A 45 -15.806 -7.459 -2.114 1.00 0.00 C ATOM 668 OG SER A 45 -17.155 -7.604 -1.706 1.00 0.00 O ATOM 0 H SER A 45 -14.520 -8.724 -0.361 1.00 0.00 H new ATOM 0 HA SER A 45 -15.889 -9.493 -2.802 1.00 0.00 H new ATOM 0 HB2 SER A 45 -15.248 -6.917 -1.350 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.760 -6.863 -3.025 1.00 0.00 H new ATOM 0 HG SER A 45 -17.548 -6.719 -1.555 1.00 0.00 H new ATOM 674 N ILE A 46 -12.916 -8.038 -2.858 1.00 0.00 N ATOM 675 CA ILE A 46 -11.731 -7.831 -3.681 1.00 0.00 C ATOM 676 C ILE A 46 -10.617 -8.798 -3.294 1.00 0.00 C ATOM 677 O ILE A 46 -10.774 -9.607 -2.379 1.00 0.00 O ATOM 678 CB ILE A 46 -11.207 -6.387 -3.560 1.00 0.00 C ATOM 679 CG1 ILE A 46 -10.897 -6.055 -2.099 1.00 0.00 C ATOM 680 CG2 ILE A 46 -12.221 -5.406 -4.129 1.00 0.00 C ATOM 681 CD1 ILE A 46 -10.264 -4.694 -1.910 1.00 0.00 C ATOM 0 H ILE A 46 -12.846 -7.657 -1.914 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.027 -8.016 -4.713 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.286 -6.301 -4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.820 -6.101 -1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.230 -6.816 -1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.836 -4.390 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.396 -5.633 -5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.158 -5.491 -3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.072 -4.526 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.324 -4.650 -2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.939 -3.924 -2.283 1.00 0.00 H new ATOM 693 N ASP A 47 -9.493 -8.707 -3.995 1.00 0.00 N ATOM 694 CA ASP A 47 -8.351 -9.573 -3.724 1.00 0.00 C ATOM 695 C ASP A 47 -7.130 -8.751 -3.321 1.00 0.00 C ATOM 696 O ASP A 47 -7.184 -7.522 -3.272 1.00 0.00 O ATOM 697 CB ASP A 47 -8.025 -10.423 -4.953 1.00 0.00 C ATOM 698 CG ASP A 47 -9.138 -11.394 -5.296 1.00 0.00 C ATOM 699 OD1 ASP A 47 -9.302 -12.392 -4.564 1.00 0.00 O ATOM 700 OD2 ASP A 47 -9.844 -11.156 -6.299 1.00 0.00 O ATOM 0 H ASP A 47 -9.348 -8.043 -4.755 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.614 -10.231 -2.896 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.842 -9.769 -5.805 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.104 -10.978 -4.773 1.00 0.00 H new ATOM 705 N THR A 48 -6.030 -9.438 -3.030 1.00 0.00 N ATOM 706 CA THR A 48 -4.797 -8.773 -2.628 1.00 0.00 C ATOM 707 C THR A 48 -4.464 -7.619 -3.567 1.00 0.00 C ATOM 708 O THR A 48 -4.354 -6.464 -3.155 1.00 0.00 O ATOM 709 CB THR A 48 -3.611 -9.756 -2.601 1.00 0.00 C ATOM 710 OG1 THR A 48 -3.479 -10.328 -1.295 1.00 0.00 O ATOM 711 CG2 THR A 48 -2.318 -9.055 -2.988 1.00 0.00 C ATOM 0 H THR A 48 -5.968 -10.455 -3.065 1.00 0.00 H new ATOM 0 HA THR A 48 -4.961 -8.385 -1.623 1.00 0.00 H new ATOM 0 HB THR A 48 -3.806 -10.547 -3.325 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.724 -10.953 -1.286 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.495 -9.769 -2.962 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.412 -8.647 -3.994 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.119 -8.246 -2.286 1.00 0.00 H new ATOM 719 N PRO A 49 -4.301 -7.935 -4.860 1.00 0.00 N ATOM 720 CA PRO A 49 -3.979 -6.937 -5.885 1.00 0.00 C ATOM 721 C PRO A 49 -5.145 -5.994 -6.161 1.00 0.00 C ATOM 722 O PRO A 49 -5.028 -5.064 -6.958 1.00 0.00 O ATOM 723 CB PRO A 49 -3.672 -7.785 -7.122 1.00 0.00 C ATOM 724 CG PRO A 49 -4.422 -9.054 -6.907 1.00 0.00 C ATOM 725 CD PRO A 49 -4.418 -9.291 -5.422 1.00 0.00 C ATOM 0 HA PRO A 49 -3.156 -6.290 -5.580 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.994 -7.284 -8.035 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.602 -7.969 -7.220 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.441 -8.974 -7.287 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.949 -9.881 -7.436 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.332 -9.785 -5.092 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.585 -9.925 -5.119 1.00 0.00 H new ATOM 733 N GLY A 50 -6.270 -6.241 -5.497 1.00 0.00 N ATOM 734 CA GLY A 50 -7.441 -5.404 -5.685 1.00 0.00 C ATOM 735 C GLY A 50 -7.443 -4.195 -4.771 1.00 0.00 C ATOM 736 O GLY A 50 -7.914 -3.122 -5.150 1.00 0.00 O ATOM 0 H GLY A 50 -6.392 -7.005 -4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.483 -5.071 -6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.339 -5.995 -5.503 1.00 0.00 H new ATOM 740 N VAL A 51 -6.917 -4.368 -3.563 1.00 0.00 N ATOM 741 CA VAL A 51 -6.860 -3.282 -2.591 1.00 0.00 C ATOM 742 C VAL A 51 -5.725 -2.317 -2.912 1.00 0.00 C ATOM 743 O VAL A 51 -5.803 -1.127 -2.604 1.00 0.00 O ATOM 744 CB VAL A 51 -6.674 -3.819 -1.160 1.00 0.00 C ATOM 745 CG1 VAL A 51 -5.276 -4.391 -0.981 1.00 0.00 C ATOM 746 CG2 VAL A 51 -6.944 -2.723 -0.140 1.00 0.00 C ATOM 0 H VAL A 51 -6.524 -5.250 -3.234 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.811 -2.753 -2.651 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.393 -4.622 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.164 -4.765 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.124 -5.207 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.537 -3.611 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.808 -3.120 0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.251 -1.897 -0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.967 -2.365 -0.253 1.00 0.00 H new ATOM 756 N ILE A 52 -4.671 -2.836 -3.532 1.00 0.00 N ATOM 757 CA ILE A 52 -3.520 -2.020 -3.896 1.00 0.00 C ATOM 758 C ILE A 52 -3.902 -0.956 -4.920 1.00 0.00 C ATOM 759 O ILE A 52 -3.598 0.224 -4.746 1.00 0.00 O ATOM 760 CB ILE A 52 -2.378 -2.880 -4.469 1.00 0.00 C ATOM 761 CG1 ILE A 52 -1.806 -3.794 -3.384 1.00 0.00 C ATOM 762 CG2 ILE A 52 -1.287 -1.993 -5.051 1.00 0.00 C ATOM 763 CD1 ILE A 52 -1.143 -5.039 -3.930 1.00 0.00 C ATOM 0 H ILE A 52 -4.590 -3.819 -3.793 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.176 -1.535 -2.982 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.778 -3.503 -5.269 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.080 -3.234 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.608 -4.087 -2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.487 -2.616 -5.452 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.704 -1.380 -5.850 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.887 -1.348 -4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.761 -5.639 -3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.871 -5.621 -4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.319 -4.755 -4.584 1.00 0.00 H new ATOM 775 N ARG A 53 -4.572 -1.382 -5.986 1.00 0.00 N ATOM 776 CA ARG A 53 -4.997 -0.466 -7.037 1.00 0.00 C ATOM 777 C ARG A 53 -5.861 0.655 -6.466 1.00 0.00 C ATOM 778 O ARG A 53 -5.779 1.801 -6.906 1.00 0.00 O ATOM 779 CB ARG A 53 -5.772 -1.221 -8.119 1.00 0.00 C ATOM 780 CG ARG A 53 -6.499 -0.311 -9.095 1.00 0.00 C ATOM 781 CD ARG A 53 -6.884 -1.051 -10.366 1.00 0.00 C ATOM 782 NE ARG A 53 -5.713 -1.519 -11.103 1.00 0.00 N ATOM 783 CZ ARG A 53 -5.769 -2.420 -12.077 1.00 0.00 C ATOM 784 NH1 ARG A 53 -6.933 -2.948 -12.430 1.00 0.00 N ATOM 785 NH2 ARG A 53 -4.660 -2.794 -12.701 1.00 0.00 N ATOM 0 H ARG A 53 -4.832 -2.356 -6.144 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.105 -0.024 -7.480 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.080 -1.856 -8.673 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.497 -1.880 -7.642 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.395 0.091 -8.621 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.863 0.538 -9.346 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.517 -1.902 -10.113 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.475 -0.393 -11.004 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.802 -1.132 -10.856 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.788 -2.662 -11.953 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.973 -3.640 -13.178 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.763 -2.390 -12.433 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.704 -3.486 -13.449 1.00 0.00 H new ATOM 799 N ARG A 54 -6.689 0.314 -5.484 1.00 0.00 N ATOM 800 CA ARG A 54 -7.570 1.290 -4.853 1.00 0.00 C ATOM 801 C ARG A 54 -6.767 2.304 -4.044 1.00 0.00 C ATOM 802 O ARG A 54 -6.827 3.507 -4.301 1.00 0.00 O ATOM 803 CB ARG A 54 -8.582 0.586 -3.948 1.00 0.00 C ATOM 804 CG ARG A 54 -9.744 -0.039 -4.703 1.00 0.00 C ATOM 805 CD ARG A 54 -10.790 1.000 -5.074 1.00 0.00 C ATOM 806 NE ARG A 54 -12.126 0.419 -5.175 1.00 0.00 N ATOM 807 CZ ARG A 54 -12.567 -0.229 -6.248 1.00 0.00 C ATOM 808 NH1 ARG A 54 -11.782 -0.378 -7.305 1.00 0.00 N ATOM 809 NH2 ARG A 54 -13.796 -0.729 -6.264 1.00 0.00 N ATOM 0 H ARG A 54 -6.768 -0.631 -5.108 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.105 1.821 -5.640 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.070 -0.190 -3.380 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.973 1.304 -3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.374 -0.523 -5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.202 -0.815 -4.090 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.795 1.793 -4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.522 1.461 -6.025 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.755 0.516 -4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.837 0.005 -7.296 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.123 -0.876 -8.127 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.403 -0.616 -5.452 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.134 -1.226 -7.088 1.00 0.00 H new ATOM 823 N VAL A 55 -6.015 1.811 -3.065 1.00 0.00 N ATOM 824 CA VAL A 55 -5.200 2.673 -2.219 1.00 0.00 C ATOM 825 C VAL A 55 -4.200 3.471 -3.048 1.00 0.00 C ATOM 826 O VAL A 55 -3.815 4.580 -2.677 1.00 0.00 O ATOM 827 CB VAL A 55 -4.435 1.858 -1.159 1.00 0.00 C ATOM 828 CG1 VAL A 55 -3.378 0.984 -1.816 1.00 0.00 C ATOM 829 CG2 VAL A 55 -3.807 2.783 -0.127 1.00 0.00 C ATOM 0 H VAL A 55 -5.954 0.818 -2.839 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.882 3.360 -1.717 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.143 1.206 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.848 0.416 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.857 0.296 -2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.670 1.613 -2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.271 2.190 0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.112 3.461 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.588 3.361 0.367 1.00 0.00 H new ATOM 839 N SER A 56 -3.784 2.900 -4.174 1.00 0.00 N ATOM 840 CA SER A 56 -2.826 3.557 -5.056 1.00 0.00 C ATOM 841 C SER A 56 -3.331 4.934 -5.476 1.00 0.00 C ATOM 842 O SER A 56 -2.593 5.918 -5.427 1.00 0.00 O ATOM 843 CB SER A 56 -2.568 2.697 -6.294 1.00 0.00 C ATOM 844 OG SER A 56 -1.370 3.086 -6.944 1.00 0.00 O ATOM 0 H SER A 56 -4.095 1.984 -4.497 1.00 0.00 H new ATOM 0 HA SER A 56 -1.892 3.683 -4.509 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.505 1.648 -6.005 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.406 2.787 -6.985 1.00 0.00 H new ATOM 0 HG SER A 56 -1.226 2.520 -7.731 1.00 0.00 H new ATOM 850 N GLN A 57 -4.593 4.995 -5.888 1.00 0.00 N ATOM 851 CA GLN A 57 -5.196 6.251 -6.318 1.00 0.00 C ATOM 852 C GLN A 57 -5.446 7.170 -5.127 1.00 0.00 C ATOM 853 O GLN A 57 -5.371 8.394 -5.247 1.00 0.00 O ATOM 854 CB GLN A 57 -6.510 5.984 -7.055 1.00 0.00 C ATOM 855 CG GLN A 57 -6.318 5.466 -8.472 1.00 0.00 C ATOM 856 CD GLN A 57 -5.909 6.557 -9.442 1.00 0.00 C ATOM 857 OE1 GLN A 57 -5.375 7.592 -9.041 1.00 0.00 O ATOM 858 NE2 GLN A 57 -6.159 6.331 -10.726 1.00 0.00 N ATOM 0 H GLN A 57 -5.218 4.190 -5.933 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.501 6.746 -6.996 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.094 5.259 -6.488 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.091 6.905 -7.089 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.558 4.684 -8.469 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.245 5.008 -8.816 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.603 5.459 -11.013 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.907 7.029 -11.425 1.00 0.00 H new ATOM 867 N LEU A 58 -5.743 6.574 -3.978 1.00 0.00 N ATOM 868 CA LEU A 58 -6.004 7.339 -2.764 1.00 0.00 C ATOM 869 C LEU A 58 -4.804 8.207 -2.398 1.00 0.00 C ATOM 870 O LEU A 58 -4.927 9.422 -2.243 1.00 0.00 O ATOM 871 CB LEU A 58 -6.339 6.398 -1.606 1.00 0.00 C ATOM 872 CG LEU A 58 -6.489 7.051 -0.231 1.00 0.00 C ATOM 873 CD1 LEU A 58 -7.631 8.056 -0.239 1.00 0.00 C ATOM 874 CD2 LEU A 58 -6.713 5.994 0.840 1.00 0.00 C ATOM 0 H LEU A 58 -5.809 5.563 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.857 7.991 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.268 5.879 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.558 5.640 -1.543 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.566 7.583 0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.723 8.510 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.428 8.831 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.561 7.548 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.817 6.477 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.620 5.433 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.862 5.313 0.863 1.00 0.00 H new ATOM 886 N PHE A 59 -3.642 7.575 -2.264 1.00 0.00 N ATOM 887 CA PHE A 59 -2.419 8.288 -1.918 1.00 0.00 C ATOM 888 C PHE A 59 -1.637 8.668 -3.173 1.00 0.00 C ATOM 889 O PHE A 59 -0.406 8.698 -3.166 1.00 0.00 O ATOM 890 CB PHE A 59 -1.545 7.431 -1.000 1.00 0.00 C ATOM 891 CG PHE A 59 -2.247 6.987 0.251 1.00 0.00 C ATOM 892 CD1 PHE A 59 -3.100 7.846 0.925 1.00 0.00 C ATOM 893 CD2 PHE A 59 -2.054 5.710 0.754 1.00 0.00 C ATOM 894 CE1 PHE A 59 -3.747 7.440 2.077 1.00 0.00 C ATOM 895 CE2 PHE A 59 -2.698 5.298 1.905 1.00 0.00 C ATOM 896 CZ PHE A 59 -3.546 6.164 2.567 1.00 0.00 C ATOM 0 H PHE A 59 -3.523 6.570 -2.390 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.698 9.202 -1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.207 6.552 -1.549 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.655 7.997 -0.726 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.261 8.844 0.546 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.392 5.029 0.240 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.409 8.119 2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.538 4.300 2.286 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.051 5.844 3.466 1.00 0.00 H new ATOM 906 N HIS A 60 -2.362 8.958 -4.249 1.00 0.00 N ATOM 907 CA HIS A 60 -1.738 9.336 -5.512 1.00 0.00 C ATOM 908 C HIS A 60 -0.675 10.408 -5.293 1.00 0.00 C ATOM 909 O HIS A 60 0.403 10.356 -5.885 1.00 0.00 O ATOM 910 CB HIS A 60 -2.794 9.841 -6.496 1.00 0.00 C ATOM 911 CG HIS A 60 -3.521 11.061 -6.019 1.00 0.00 C ATOM 912 ND1 HIS A 60 -3.818 12.128 -6.840 1.00 0.00 N ATOM 913 CD2 HIS A 60 -4.014 11.378 -4.799 1.00 0.00 C ATOM 914 CE1 HIS A 60 -4.460 13.050 -6.145 1.00 0.00 C ATOM 915 NE2 HIS A 60 -4.592 12.619 -4.903 1.00 0.00 N ATOM 0 H HIS A 60 -3.382 8.938 -4.271 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.256 8.452 -5.930 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.314 10.063 -7.449 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.517 9.046 -6.681 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.962 10.768 -3.909 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.816 13.995 -6.527 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.049 13.126 -4.145 1.00 0.00 H new ATOM 924 N GLU A 61 -0.987 11.379 -4.440 1.00 0.00 N ATOM 925 CA GLU A 61 -0.058 12.463 -4.145 1.00 0.00 C ATOM 926 C GLU A 61 1.112 11.964 -3.302 1.00 0.00 C ATOM 927 O GLU A 61 2.170 12.592 -3.255 1.00 0.00 O ATOM 928 CB GLU A 61 -0.780 13.598 -3.414 1.00 0.00 C ATOM 929 CG GLU A 61 -1.528 14.541 -4.341 1.00 0.00 C ATOM 930 CD GLU A 61 -1.841 15.874 -3.690 1.00 0.00 C ATOM 931 OE1 GLU A 61 -1.097 16.275 -2.770 1.00 0.00 O ATOM 932 OE2 GLU A 61 -2.830 16.516 -4.100 1.00 0.00 O ATOM 0 H GLU A 61 -1.875 11.437 -3.942 1.00 0.00 H new ATOM 0 HA GLU A 61 0.333 12.839 -5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.484 13.169 -2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.052 14.170 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.933 14.710 -5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.458 14.069 -4.660 1.00 0.00 H new ATOM 939 N HIS A 62 0.913 10.831 -2.637 1.00 0.00 N ATOM 940 CA HIS A 62 1.951 10.246 -1.795 1.00 0.00 C ATOM 941 C HIS A 62 2.354 8.867 -2.308 1.00 0.00 C ATOM 942 O HIS A 62 1.844 7.839 -1.864 1.00 0.00 O ATOM 943 CB HIS A 62 1.467 10.143 -0.349 1.00 0.00 C ATOM 944 CG HIS A 62 1.078 11.460 0.248 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.942 12.232 0.997 1.00 0.00 N ATOM 946 CD2 HIS A 62 -0.090 12.143 0.203 1.00 0.00 C ATOM 947 CE1 HIS A 62 1.322 13.331 1.387 1.00 0.00 C ATOM 948 NE2 HIS A 62 0.087 13.302 0.918 1.00 0.00 N ATOM 0 H HIS A 62 0.043 10.299 -2.665 1.00 0.00 H new ATOM 0 HA HIS A 62 2.824 10.898 -1.832 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.612 9.468 -0.308 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.255 9.697 0.258 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.993 11.834 -0.302 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.751 14.119 1.987 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.620 14.023 1.063 1.00 0.00 H new ATOM 957 N PRO A 63 3.292 8.843 -3.267 1.00 0.00 N ATOM 958 CA PRO A 63 3.784 7.597 -3.862 1.00 0.00 C ATOM 959 C PRO A 63 4.622 6.780 -2.885 1.00 0.00 C ATOM 960 O PRO A 63 4.785 5.571 -3.053 1.00 0.00 O ATOM 961 CB PRO A 63 4.644 8.078 -5.033 1.00 0.00 C ATOM 962 CG PRO A 63 5.076 9.450 -4.647 1.00 0.00 C ATOM 963 CD PRO A 63 3.944 10.030 -3.844 1.00 0.00 C ATOM 0 HA PRO A 63 2.969 6.937 -4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.501 7.423 -5.190 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.076 8.089 -5.963 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.995 9.420 -4.061 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.280 10.057 -5.529 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.306 10.706 -3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.258 10.601 -4.470 1.00 0.00 H new ATOM 971 N ASP A 64 5.151 7.446 -1.865 1.00 0.00 N ATOM 972 CA ASP A 64 5.972 6.781 -0.860 1.00 0.00 C ATOM 973 C ASP A 64 5.149 5.768 -0.070 1.00 0.00 C ATOM 974 O ASP A 64 5.631 4.684 0.261 1.00 0.00 O ATOM 975 CB ASP A 64 6.586 7.810 0.090 1.00 0.00 C ATOM 976 CG ASP A 64 7.664 8.642 -0.575 1.00 0.00 C ATOM 977 OD1 ASP A 64 7.313 9.584 -1.317 1.00 0.00 O ATOM 978 OD2 ASP A 64 8.859 8.352 -0.356 1.00 0.00 O ATOM 0 H ASP A 64 5.026 8.447 -1.712 1.00 0.00 H new ATOM 0 HA ASP A 64 6.773 6.250 -1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.802 8.468 0.463 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.009 7.296 0.953 1.00 0.00 H new ATOM 983 N LEU A 65 3.906 6.128 0.229 1.00 0.00 N ATOM 984 CA LEU A 65 3.015 5.251 0.981 1.00 0.00 C ATOM 985 C LEU A 65 2.522 4.100 0.111 1.00 0.00 C ATOM 986 O LEU A 65 2.436 2.959 0.565 1.00 0.00 O ATOM 987 CB LEU A 65 1.824 6.044 1.522 1.00 0.00 C ATOM 988 CG LEU A 65 2.040 6.749 2.862 1.00 0.00 C ATOM 989 CD1 LEU A 65 0.978 7.815 3.082 1.00 0.00 C ATOM 990 CD2 LEU A 65 2.030 5.741 4.003 1.00 0.00 C ATOM 0 H LEU A 65 3.492 7.021 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 65 3.576 4.835 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.545 6.793 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.977 5.365 1.624 1.00 0.00 H new ATOM 0 HG LEU A 65 3.015 7.235 2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.148 8.306 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.032 8.553 2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.008 7.351 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.185 6.260 4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.070 5.226 4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.828 5.014 3.853 1.00 0.00 H new ATOM 1002 N ILE A 66 2.200 4.408 -1.141 1.00 0.00 N ATOM 1003 CA ILE A 66 1.719 3.398 -2.076 1.00 0.00 C ATOM 1004 C ILE A 66 2.714 2.250 -2.205 1.00 0.00 C ATOM 1005 O ILE A 66 2.332 1.079 -2.193 1.00 0.00 O ATOM 1006 CB ILE A 66 1.461 3.999 -3.470 1.00 0.00 C ATOM 1007 CG1 ILE A 66 0.418 5.115 -3.384 1.00 0.00 C ATOM 1008 CG2 ILE A 66 1.008 2.916 -4.438 1.00 0.00 C ATOM 1009 CD1 ILE A 66 0.297 5.929 -4.653 1.00 0.00 C ATOM 0 H ILE A 66 2.263 5.348 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 66 0.780 3.018 -1.674 1.00 0.00 H new ATOM 0 HB ILE A 66 2.392 4.426 -3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.552 4.677 -3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.676 5.779 -2.559 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.830 3.356 -5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.782 2.153 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.087 2.462 -4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.461 6.701 -4.519 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.256 6.396 -4.878 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.009 5.277 -5.477 1.00 0.00 H new ATOM 1021 N VAL A 67 3.992 2.593 -2.327 1.00 0.00 N ATOM 1022 CA VAL A 67 5.043 1.590 -2.456 1.00 0.00 C ATOM 1023 C VAL A 67 5.240 0.830 -1.150 1.00 0.00 C ATOM 1024 O VAL A 67 5.301 -0.399 -1.137 1.00 0.00 O ATOM 1025 CB VAL A 67 6.381 2.230 -2.872 1.00 0.00 C ATOM 1026 CG1 VAL A 67 7.494 1.194 -2.864 1.00 0.00 C ATOM 1027 CG2 VAL A 67 6.257 2.882 -4.241 1.00 0.00 C ATOM 0 H VAL A 67 4.325 3.557 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 67 4.724 0.895 -3.233 1.00 0.00 H new ATOM 0 HB VAL A 67 6.634 3.005 -2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.431 1.665 -3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.598 0.779 -1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.252 0.395 -3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.211 3.329 -4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.980 2.129 -4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.490 3.656 -4.207 1.00 0.00 H new ATOM 1037 N GLY A 68 5.339 1.570 -0.049 1.00 0.00 N ATOM 1038 CA GLY A 68 5.528 0.948 1.248 1.00 0.00 C ATOM 1039 C GLY A 68 4.573 -0.205 1.483 1.00 0.00 C ATOM 1040 O GLY A 68 4.953 -1.229 2.052 1.00 0.00 O ATOM 0 H GLY A 68 5.292 2.589 -0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.554 0.588 1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.390 1.695 2.029 1.00 0.00 H new ATOM 1044 N PHE A 69 3.329 -0.039 1.046 1.00 0.00 N ATOM 1045 CA PHE A 69 2.316 -1.074 1.214 1.00 0.00 C ATOM 1046 C PHE A 69 2.893 -2.455 0.916 1.00 0.00 C ATOM 1047 O PHE A 69 2.707 -3.396 1.686 1.00 0.00 O ATOM 1048 CB PHE A 69 1.120 -0.801 0.299 1.00 0.00 C ATOM 1049 CG PHE A 69 -0.145 -1.474 0.748 1.00 0.00 C ATOM 1050 CD1 PHE A 69 -0.763 -1.100 1.930 1.00 0.00 C ATOM 1051 CD2 PHE A 69 -0.716 -2.482 -0.012 1.00 0.00 C ATOM 1052 CE1 PHE A 69 -1.928 -1.717 2.346 1.00 0.00 C ATOM 1053 CE2 PHE A 69 -1.880 -3.103 0.399 1.00 0.00 C ATOM 1054 CZ PHE A 69 -2.486 -2.721 1.580 1.00 0.00 C ATOM 0 H PHE A 69 2.998 0.802 0.573 1.00 0.00 H new ATOM 0 HA PHE A 69 1.983 -1.055 2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.951 0.275 0.247 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.361 -1.135 -0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.329 -0.317 2.534 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.246 -2.786 -0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.401 -1.414 3.269 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.316 -3.887 -0.203 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.395 -3.207 1.904 1.00 0.00 H new ATOM 1064 N ASN A 70 3.595 -2.566 -0.207 1.00 0.00 N ATOM 1065 CA ASN A 70 4.200 -3.831 -0.608 1.00 0.00 C ATOM 1066 C ASN A 70 5.005 -4.437 0.537 1.00 0.00 C ATOM 1067 O ASN A 70 4.790 -5.586 0.922 1.00 0.00 O ATOM 1068 CB ASN A 70 5.101 -3.626 -1.827 1.00 0.00 C ATOM 1069 CG ASN A 70 4.316 -3.572 -3.124 1.00 0.00 C ATOM 1070 OD1 ASN A 70 4.228 -4.561 -3.851 1.00 0.00 O ATOM 1071 ND2 ASN A 70 3.741 -2.412 -3.419 1.00 0.00 N ATOM 0 H ASN A 70 3.759 -1.796 -0.855 1.00 0.00 H new ATOM 0 HA ASN A 70 3.398 -4.521 -0.869 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.664 -2.700 -1.708 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.828 -4.437 -1.879 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.200 -2.315 -4.278 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.841 -1.618 -2.786 1.00 0.00 H new ATOM 1078 N ALA A 71 5.934 -3.655 1.079 1.00 0.00 N ATOM 1079 CA ALA A 71 6.770 -4.112 2.181 1.00 0.00 C ATOM 1080 C ALA A 71 5.943 -4.323 3.446 1.00 0.00 C ATOM 1081 O ALA A 71 6.227 -5.217 4.243 1.00 0.00 O ATOM 1082 CB ALA A 71 7.891 -3.118 2.441 1.00 0.00 C ATOM 0 H ALA A 71 6.126 -2.701 0.772 1.00 0.00 H new ATOM 0 HA ALA A 71 7.207 -5.070 1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.507 -3.473 3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.505 -3.020 1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.465 -2.148 2.697 1.00 0.00 H new ATOM 1088 N PHE A 72 4.920 -3.494 3.624 1.00 0.00 N ATOM 1089 CA PHE A 72 4.054 -3.589 4.792 1.00 0.00 C ATOM 1090 C PHE A 72 3.481 -4.996 4.932 1.00 0.00 C ATOM 1091 O PHE A 72 3.231 -5.470 6.042 1.00 0.00 O ATOM 1092 CB PHE A 72 2.916 -2.571 4.694 1.00 0.00 C ATOM 1093 CG PHE A 72 1.663 -3.001 5.403 1.00 0.00 C ATOM 1094 CD1 PHE A 72 1.680 -3.276 6.761 1.00 0.00 C ATOM 1095 CD2 PHE A 72 0.469 -3.129 4.712 1.00 0.00 C ATOM 1096 CE1 PHE A 72 0.530 -3.673 7.416 1.00 0.00 C ATOM 1097 CE2 PHE A 72 -0.685 -3.525 5.362 1.00 0.00 C ATOM 1098 CZ PHE A 72 -0.654 -3.796 6.716 1.00 0.00 C ATOM 0 H PHE A 72 4.671 -2.749 2.974 1.00 0.00 H new ATOM 0 HA PHE A 72 4.654 -3.370 5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.252 -1.622 5.111 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.687 -2.395 3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.603 -3.179 7.314 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.439 -2.917 3.653 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.557 -3.887 8.474 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.609 -3.622 4.812 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.555 -4.104 7.227 1.00 0.00 H new ATOM 1108 N LEU A 73 3.276 -5.660 3.800 1.00 0.00 N ATOM 1109 CA LEU A 73 2.732 -7.014 3.795 1.00 0.00 C ATOM 1110 C LEU A 73 3.771 -8.020 4.281 1.00 0.00 C ATOM 1111 O LEU A 73 4.860 -8.144 3.720 1.00 0.00 O ATOM 1112 CB LEU A 73 2.260 -7.389 2.389 1.00 0.00 C ATOM 1113 CG LEU A 73 0.816 -7.024 2.046 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -0.128 -8.150 2.440 1.00 0.00 C ATOM 1115 CD2 LEU A 73 0.416 -5.727 2.734 1.00 0.00 C ATOM 0 H LEU A 73 3.478 -5.283 2.874 1.00 0.00 H new ATOM 0 HA LEU A 73 1.882 -7.041 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.917 -6.906 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.382 -8.465 2.261 1.00 0.00 H new ATOM 0 HG LEU A 73 0.745 -6.878 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.151 -7.872 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.144 -9.058 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.054 -8.328 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.615 -5.483 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.504 -5.846 3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.072 -4.922 2.403 1.00 0.00 H new ATOM 1127 N PRO A 74 3.428 -8.757 5.347 1.00 0.00 N ATOM 1128 CA PRO A 74 4.316 -9.768 5.930 1.00 0.00 C ATOM 1129 C PRO A 74 4.487 -10.981 5.022 1.00 0.00 C ATOM 1130 O PRO A 74 3.641 -11.875 4.998 1.00 0.00 O ATOM 1131 CB PRO A 74 3.601 -10.164 7.224 1.00 0.00 C ATOM 1132 CG PRO A 74 2.164 -9.863 6.970 1.00 0.00 C ATOM 1133 CD PRO A 74 2.146 -8.663 6.065 1.00 0.00 C ATOM 0 HA PRO A 74 5.325 -9.385 6.085 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.750 -11.219 7.452 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.980 -9.598 8.075 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.664 -10.712 6.503 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.638 -9.657 7.902 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.299 -8.689 5.380 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.070 -7.734 6.631 1.00 0.00 H new ATOM 1141 N SER A 75 5.589 -11.007 4.279 1.00 0.00 N ATOM 1142 CA SER A 75 5.870 -12.110 3.367 1.00 0.00 C ATOM 1143 C SER A 75 6.377 -13.330 4.130 1.00 0.00 C ATOM 1144 O SER A 75 6.887 -13.211 5.243 1.00 0.00 O ATOM 1145 CB SER A 75 6.901 -11.684 2.320 1.00 0.00 C ATOM 1146 OG SER A 75 6.478 -10.521 1.631 1.00 0.00 O ATOM 0 H SER A 75 6.302 -10.277 4.291 1.00 0.00 H new ATOM 0 HA SER A 75 4.941 -12.378 2.863 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.859 -11.495 2.804 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.058 -12.495 1.609 1.00 0.00 H new ATOM 0 HG SER A 75 7.155 -10.269 0.969 1.00 0.00 H new ATOM 1152 N GLY A 76 6.232 -14.503 3.522 1.00 0.00 N ATOM 1153 CA GLY A 76 6.680 -15.729 4.158 1.00 0.00 C ATOM 1154 C GLY A 76 6.514 -16.940 3.262 1.00 0.00 C ATOM 1155 O GLY A 76 6.426 -16.828 2.040 1.00 0.00 O ATOM 0 H GLY A 76 5.812 -14.627 2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.729 -15.628 4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.119 -15.883 5.080 1.00 0.00 H new ATOM 1159 N PRO A 77 6.472 -18.133 3.875 1.00 0.00 N ATOM 1160 CA PRO A 77 6.317 -19.394 3.144 1.00 0.00 C ATOM 1161 C PRO A 77 4.926 -19.546 2.539 1.00 0.00 C ATOM 1162 O PRO A 77 4.782 -19.928 1.377 1.00 0.00 O ATOM 1163 CB PRO A 77 6.552 -20.458 4.219 1.00 0.00 C ATOM 1164 CG PRO A 77 6.195 -19.788 5.500 1.00 0.00 C ATOM 1165 CD PRO A 77 6.571 -18.342 5.330 1.00 0.00 C ATOM 0 HA PRO A 77 7.003 -19.463 2.300 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.933 -21.338 4.047 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.589 -20.794 4.224 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.131 -19.892 5.711 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.732 -20.235 6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.896 -17.684 5.877 1.00 0.00 H new ATOM 0 HD3 PRO A 77 7.578 -18.143 5.697 1.00 0.00 H new ATOM 1173 N SER A 78 3.903 -19.243 3.333 1.00 0.00 N ATOM 1174 CA SER A 78 2.523 -19.350 2.876 1.00 0.00 C ATOM 1175 C SER A 78 2.361 -18.736 1.488 1.00 0.00 C ATOM 1176 O SER A 78 2.405 -17.516 1.328 1.00 0.00 O ATOM 1177 CB SER A 78 1.581 -18.659 3.864 1.00 0.00 C ATOM 1178 OG SER A 78 0.246 -18.672 3.391 1.00 0.00 O ATOM 0 H SER A 78 4.005 -18.922 4.296 1.00 0.00 H new ATOM 0 HA SER A 78 2.266 -20.408 2.819 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.632 -19.160 4.831 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.905 -17.630 4.020 1.00 0.00 H new ATOM 0 HG SER A 78 -0.336 -18.226 4.041 1.00 0.00 H new ATOM 1184 N SER A 79 2.174 -19.591 0.488 1.00 0.00 N ATOM 1185 CA SER A 79 2.010 -19.135 -0.887 1.00 0.00 C ATOM 1186 C SER A 79 0.828 -18.177 -1.004 1.00 0.00 C ATOM 1187 O SER A 79 -0.224 -18.396 -0.405 1.00 0.00 O ATOM 1188 CB SER A 79 1.809 -20.329 -1.823 1.00 0.00 C ATOM 1189 OG SER A 79 0.652 -21.065 -1.467 1.00 0.00 O ATOM 0 H SER A 79 2.132 -20.603 0.604 1.00 0.00 H new ATOM 0 HA SER A 79 2.916 -18.604 -1.178 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.719 -19.978 -2.851 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.684 -20.978 -1.783 1.00 0.00 H new ATOM 0 HG SER A 79 0.544 -21.822 -2.080 1.00 0.00 H new ATOM 1195 N GLY A 80 1.010 -17.114 -1.781 1.00 0.00 N ATOM 1196 CA GLY A 80 -0.049 -16.138 -1.964 1.00 0.00 C ATOM 1197 C GLY A 80 -1.381 -16.783 -2.289 1.00 0.00 C ATOM 1198 O GLY A 80 -2.428 -16.329 -1.825 1.00 0.00 O ATOM 0 H GLY A 80 1.872 -16.911 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.149 -15.541 -1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.226 -15.454 -2.767 1.00 0.00 H new TER 1202 GLY A 80