USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 693 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 84 ASN : amide:sc= 1.02 K(o=2.2,f=-1.6!) USER MOD Set 1.2: A 86 TYR OH : rot 102:sc= 1.14 USER MOD Set 2.1: A 39 LYS NZ :NH3+ -163:sc= 1.25 (180deg=0.635) USER MOD Set 2.2: A 43 SER OG : rot 89:sc= 0.905 USER MOD Single : A 6 ASN : amide:sc= -0.0372 X(o=-0.037,f=-0.37!) USER MOD Single : A 8 LYS NZ :NH3+ -108:sc= 1.85 (180deg=0.576) USER MOD Single : A 9 HIS :FLIP no HD1:sc= 0.0742 F(o=-0.93,f=0.074) USER MOD Single : A 22 SER OG : rot 26:sc= 0.0702 USER MOD Single : A 24 HIS : no HE2:sc= 0.951 K(o=0.95,f=-6.2!) USER MOD Single : A 25 ASN : amide:sc= 0.117 X(o=0.12,f=0) USER MOD Single : A 27 TYR OH : rot -173:sc= 1.21 USER MOD Single : A 28 CYS SG : rot -60:sc= 0.212 USER MOD Single : A 31 ASN : amide:sc= -0.0141 X(o=-0.014,f=-0.014) USER MOD Single : A 32 ASN : amide:sc= -0.0586 K(o=-0.059,f=-1.6!) USER MOD Single : A 33 GLN : amide:sc= 1.15 K(o=1.2,f=-0.036) USER MOD Single : A 35 MET CE :methyl -152:sc= -0.615 (180deg=-3.56!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -143:sc= -0.169 (180deg=-0.438) USER MOD Single : A 46 SER OG : rot 80:sc= 0.0629 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=0) USER MOD Single : A 52 SER OG : rot 82:sc= 1.36 USER MOD Single : A 57 SER OG : rot -32:sc= 1.21 USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= 1.27 (180deg=1.11) USER MOD Single : A 63 CYS SG : rot 170:sc= -1.27 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS :FLIP no HD1:sc= -0.565 F(o=-1.3,f=-0.56) USER MOD Single : A 77 LYS NZ :NH3+ 135:sc= 0.821 (180deg=-1.87) USER MOD Single : A 81 SER OG : rot -135:sc= 1.25 USER MOD Single : A 89 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.012) USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= -0.335! (180deg=-0.453!) USER MOD Single : A 96 MET CE :methyl -106:sc= -0.207 (180deg=-2.27!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 84:sc= 1.2 USER MOD Single : A 101 GLN : amide:sc= -0.238 K(o=-0.24,f=-2.7!) USER MOD Single : A 104 SER OG : rot 84:sc= 1.32 USER MOD Single : A 105 SER OG : rot 76:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -7.945 -11.028 -14.928 1.00 0.51 N ATOM 21 CA GLU A 2 -8.071 -9.843 -14.074 1.00 0.37 C ATOM 22 C GLU A 2 -7.903 -8.577 -14.914 1.00 0.34 C ATOM 23 O GLU A 2 -7.455 -8.637 -16.063 1.00 0.48 O ATOM 24 CB GLU A 2 -7.000 -9.843 -12.970 1.00 0.53 C ATOM 25 CG GLU A 2 -6.804 -11.223 -12.334 1.00 0.96 C ATOM 26 CD GLU A 2 -5.865 -11.131 -11.135 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.150 -10.115 -11.012 1.00 2.09 O ATOM 28 OE2 GLU A 2 -5.846 -12.071 -10.308 1.00 2.16 O ATOM 0 HA GLU A 2 -9.059 -9.865 -13.615 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.053 -9.503 -13.389 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -7.282 -9.128 -12.197 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.767 -11.625 -12.019 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -6.396 -11.915 -13.071 1.00 0.96 H new ATOM 35 N GLY A 3 -8.246 -7.433 -14.332 1.00 0.25 N ATOM 36 CA GLY A 3 -8.115 -6.145 -15.013 1.00 0.28 C ATOM 37 C GLY A 3 -8.983 -5.083 -14.347 1.00 0.22 C ATOM 38 O GLY A 3 -9.873 -5.397 -13.546 1.00 0.22 O ATOM 0 H GLY A 3 -8.619 -7.369 -13.385 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.072 -5.828 -15.001 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.403 -6.252 -16.059 1.00 0.28 H new ATOM 42 N PHE A 4 -8.728 -3.823 -14.695 1.00 0.24 N ATOM 43 CA PHE A 4 -9.485 -2.693 -14.155 1.00 0.21 C ATOM 44 C PHE A 4 -10.767 -2.496 -14.957 1.00 0.22 C ATOM 45 O PHE A 4 -10.797 -2.721 -16.169 1.00 0.27 O ATOM 46 CB PHE A 4 -8.649 -1.409 -14.202 1.00 0.23 C ATOM 47 CG PHE A 4 -7.689 -1.281 -13.044 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.180 -1.067 -11.769 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.322 -1.361 -13.255 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.309 -0.931 -10.706 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.447 -1.229 -12.188 1.00 0.41 C ATOM 52 CZ PHE A 4 -5.942 -1.013 -10.913 1.00 0.41 C ATOM 0 H PHE A 4 -7.997 -3.557 -15.354 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.734 -2.911 -13.117 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.087 -1.383 -15.136 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.317 -0.548 -14.208 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.246 -1.006 -11.604 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -5.938 -1.526 -14.251 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.694 -0.760 -9.712 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.381 -1.294 -12.351 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.262 -0.909 -10.080 1.00 0.41 H new ATOM 62 N LEU A 5 -11.815 -2.072 -14.271 1.00 0.19 N ATOM 63 CA LEU A 5 -13.115 -1.835 -14.889 1.00 0.21 C ATOM 64 C LEU A 5 -13.853 -0.732 -14.135 1.00 0.20 C ATOM 65 O LEU A 5 -13.802 -0.666 -12.906 1.00 0.21 O ATOM 66 CB LEU A 5 -13.969 -3.119 -14.840 1.00 0.23 C ATOM 67 CG LEU A 5 -13.757 -4.020 -16.062 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.672 -5.239 -15.988 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.014 -3.259 -17.361 1.00 0.31 C ATOM 0 H LEU A 5 -11.792 -1.881 -13.269 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.956 -1.538 -15.926 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.726 -3.677 -13.936 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.022 -2.847 -14.773 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.718 -4.349 -16.056 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.510 -5.869 -16.862 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.449 -5.807 -15.085 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.712 -4.913 -15.964 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -13.856 -3.924 -18.210 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.041 -2.895 -17.372 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.329 -2.414 -17.429 1.00 0.31 H new ATOM 81 N ASN A 6 -14.591 0.092 -14.870 1.00 0.22 N ATOM 82 CA ASN A 6 -15.409 1.147 -14.265 1.00 0.23 C ATOM 83 C ASN A 6 -16.772 0.522 -13.998 1.00 0.22 C ATOM 84 O ASN A 6 -17.311 -0.148 -14.877 1.00 0.26 O ATOM 85 CB ASN A 6 -15.512 2.375 -15.197 1.00 0.28 C ATOM 86 CG ASN A 6 -15.191 3.665 -14.434 1.00 0.72 C ATOM 87 OD1 ASN A 6 -16.084 4.443 -14.103 1.00 1.49 O ATOM 88 ND2 ASN A 6 -13.917 3.905 -14.169 1.00 1.24 N ATOM 0 H ASN A 6 -14.642 0.053 -15.888 1.00 0.22 H new ATOM 0 HA ASN A 6 -14.965 1.516 -13.340 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -14.823 2.261 -16.034 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.516 2.436 -15.617 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.650 4.757 -13.676 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -13.202 3.238 -14.458 1.00 1.24 H new ATOM 95 N ARG A 7 -17.292 0.672 -12.783 1.00 0.23 N ATOM 96 CA ARG A 7 -18.566 0.052 -12.405 1.00 0.24 C ATOM 97 C ARG A 7 -19.617 1.084 -11.998 1.00 0.25 C ATOM 98 O ARG A 7 -19.318 2.068 -11.322 1.00 0.32 O ATOM 99 CB ARG A 7 -18.325 -0.921 -11.242 1.00 0.28 C ATOM 100 CG ARG A 7 -19.492 -1.896 -11.064 1.00 0.34 C ATOM 101 CD ARG A 7 -19.344 -2.715 -9.779 1.00 0.54 C ATOM 102 NE ARG A 7 -19.598 -1.875 -8.597 1.00 0.95 N ATOM 103 CZ ARG A 7 -20.169 -2.362 -7.499 1.00 1.16 C ATOM 104 NH1 ARG A 7 -19.425 -2.888 -6.539 1.00 1.46 N ATOM 105 NH2 ARG A 7 -21.483 -2.308 -7.361 1.00 1.71 N ATOM 0 H ARG A 7 -16.853 1.217 -12.041 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.951 -0.477 -13.277 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.407 -1.481 -11.421 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -18.179 -0.357 -10.321 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.430 -1.342 -11.038 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.542 -2.567 -11.921 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -20.041 -3.553 -9.793 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.340 -3.136 -9.723 1.00 0.54 H new ATOM 0 HE ARG A 7 -19.328 -0.892 -8.621 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -18.411 -2.921 -6.640 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -19.866 -3.261 -5.698 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -22.056 -1.894 -8.096 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -21.923 -2.681 -6.520 1.00 1.71 H new ATOM 119 N LYS A 8 -20.856 0.803 -12.390 1.00 0.27 N ATOM 120 CA LYS A 8 -22.020 1.626 -12.073 1.00 0.29 C ATOM 121 C LYS A 8 -23.172 0.681 -11.767 1.00 0.29 C ATOM 122 O LYS A 8 -23.357 -0.323 -12.454 1.00 0.38 O ATOM 123 CB LYS A 8 -22.381 2.546 -13.252 1.00 0.36 C ATOM 124 CG LYS A 8 -23.613 3.429 -12.956 1.00 0.37 C ATOM 125 CD LYS A 8 -24.528 3.572 -14.185 1.00 0.50 C ATOM 126 CE LYS A 8 -25.838 2.787 -14.013 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.877 3.568 -13.270 1.00 1.02 N ATOM 0 H LYS A 8 -21.084 -0.020 -12.948 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.807 2.267 -11.218 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.528 3.184 -13.486 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.577 1.939 -14.136 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -24.179 2.997 -12.131 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -23.282 4.416 -12.633 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.754 4.626 -14.350 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.004 3.216 -15.072 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.226 2.513 -14.994 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.635 1.858 -13.480 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -26.996 3.169 -12.317 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.577 4.561 -13.194 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.781 3.518 -13.782 1.00 1.02 H new ATOM 141 N HIS A 9 -23.949 0.991 -10.739 1.00 0.43 N ATOM 142 CA HIS A 9 -25.081 0.145 -10.360 1.00 0.52 C ATOM 143 C HIS A 9 -26.392 0.720 -10.896 1.00 0.58 C ATOM 144 O HIS A 9 -26.606 1.934 -10.886 1.00 0.73 O ATOM 145 CB HIS A 9 -25.132 -0.055 -8.831 1.00 0.68 C ATOM 146 CG HIS A 9 -25.381 1.189 -8.023 1.00 0.88 C ATOM 147 ND1 HIS A 9 -25.162 2.505 -8.278 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -25.923 1.162 -6.765 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -25.576 3.222 -7.172 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -26.033 2.367 -6.271 1.00 1.75 N flip ATOM 0 H HIS A 9 -23.821 1.816 -10.153 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.942 -0.836 -10.814 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.915 -0.778 -8.603 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -24.188 -0.494 -8.508 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -26.221 0.262 -6.248 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -25.534 4.296 -7.062 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -26.406 2.606 -5.352 1.00 1.75 H new ATOM 158 N GLU A 10 -27.251 -0.177 -11.368 1.00 0.60 N ATOM 159 CA GLU A 10 -28.566 0.177 -11.916 1.00 0.73 C ATOM 160 C GLU A 10 -29.655 -0.366 -10.989 1.00 0.83 C ATOM 161 O GLU A 10 -30.647 0.313 -10.705 1.00 1.00 O ATOM 162 CB GLU A 10 -28.723 -0.413 -13.331 1.00 0.79 C ATOM 163 CG GLU A 10 -29.741 0.369 -14.169 1.00 1.28 C ATOM 164 CD GLU A 10 -29.129 1.664 -14.684 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.430 1.632 -15.717 1.00 1.52 O ATOM 166 OE2 GLU A 10 -29.355 2.720 -14.068 1.00 1.72 O ATOM 0 H GLU A 10 -27.058 -1.178 -11.384 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.657 1.261 -11.984 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.757 -0.407 -13.836 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -29.037 -1.454 -13.257 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.074 -0.241 -15.009 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.622 0.591 -13.567 1.00 1.28 H new ATOM 173 N TRP A 11 -29.451 -1.595 -10.517 1.00 0.82 N ATOM 174 CA TRP A 11 -30.379 -2.272 -9.615 1.00 0.96 C ATOM 175 C TRP A 11 -29.628 -3.408 -8.911 1.00 0.94 C ATOM 176 O TRP A 11 -28.842 -4.121 -9.539 1.00 0.84 O ATOM 177 CB TRP A 11 -31.580 -2.814 -10.414 1.00 1.08 C ATOM 178 CG TRP A 11 -32.540 -3.630 -9.591 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.360 -3.180 -8.592 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.770 -5.052 -9.697 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.071 -4.238 -8.098 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.736 -5.390 -8.743 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.250 -6.065 -10.507 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -34.187 -6.691 -8.586 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.698 -7.367 -10.353 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.657 -7.676 -9.403 1.00 1.53 C ATOM 0 H TRP A 11 -28.630 -2.153 -10.752 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.761 -1.577 -8.867 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -32.118 -1.976 -10.857 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -31.210 -3.426 -11.237 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.433 -2.158 -8.250 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.759 -4.173 -7.348 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.502 -5.834 -11.250 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.934 -6.931 -7.844 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -32.295 -8.149 -10.980 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.995 -8.696 -9.298 1.00 1.53 H new ATOM 353 N SER A 22 -23.501 6.913 -10.740 1.00 1.32 N ATOM 354 CA SER A 22 -22.566 6.555 -9.673 1.00 0.74 C ATOM 355 C SER A 22 -21.498 5.623 -10.242 1.00 0.68 C ATOM 356 O SER A 22 -21.605 4.401 -10.144 1.00 1.69 O ATOM 357 CB SER A 22 -23.308 5.878 -8.521 1.00 1.62 C ATOM 358 OG SER A 22 -24.315 6.737 -7.993 1.00 1.86 O ATOM 0 HA SER A 22 -22.092 7.456 -9.285 1.00 0.74 H new ATOM 0 HB2 SER A 22 -23.761 4.950 -8.870 1.00 1.62 H new ATOM 0 HB3 SER A 22 -22.602 5.612 -7.734 1.00 1.62 H new ATOM 0 HG SER A 22 -24.600 7.370 -8.684 1.00 1.86 H new ATOM 364 N TRP A 23 -20.492 6.228 -10.864 1.00 0.69 N ATOM 365 CA TRP A 23 -19.388 5.502 -11.504 1.00 0.41 C ATOM 366 C TRP A 23 -18.159 5.451 -10.586 1.00 0.40 C ATOM 367 O TRP A 23 -17.746 6.471 -10.031 1.00 0.55 O ATOM 368 CB TRP A 23 -19.021 6.194 -12.830 1.00 0.43 C ATOM 369 CG TRP A 23 -19.924 5.813 -13.971 1.00 0.40 C ATOM 370 CD1 TRP A 23 -20.987 6.523 -14.464 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.842 4.612 -14.757 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.530 5.826 -15.509 1.00 0.42 N ATOM 373 CE2 TRP A 23 -20.865 4.658 -15.710 1.00 0.36 C ATOM 374 CE3 TRP A 23 -18.999 3.510 -14.742 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.057 3.639 -16.631 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.181 2.488 -15.652 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.201 2.547 -16.592 1.00 0.31 C ATOM 0 H TRP A 23 -20.414 7.242 -10.942 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.710 4.479 -11.698 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.060 7.274 -12.691 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -17.993 5.943 -13.090 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.338 7.474 -14.090 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.327 6.141 -16.063 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.200 3.452 -14.018 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -21.852 3.694 -17.360 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.522 1.632 -15.632 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.329 1.739 -17.297 1.00 0.31 H new ATOM 388 N HIS A 24 -17.570 4.263 -10.443 1.00 0.37 N ATOM 389 CA HIS A 24 -16.372 4.071 -9.599 1.00 0.45 C ATOM 390 C HIS A 24 -15.431 3.037 -10.231 1.00 0.36 C ATOM 391 O HIS A 24 -15.877 2.067 -10.850 1.00 0.34 O ATOM 392 CB HIS A 24 -16.755 3.626 -8.167 1.00 0.61 C ATOM 393 CG HIS A 24 -17.911 2.660 -8.098 1.00 1.18 C ATOM 394 ND1 HIS A 24 -19.226 3.056 -8.036 1.00 2.08 N ATOM 395 CD2 HIS A 24 -17.957 1.304 -8.080 1.00 1.66 C ATOM 396 CE1 HIS A 24 -20.029 2.022 -7.984 1.00 2.98 C ATOM 397 NE2 HIS A 24 -19.286 0.926 -8.008 1.00 2.74 N ATOM 0 H HIS A 24 -17.898 3.412 -10.899 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.859 5.030 -9.532 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -15.885 3.165 -7.699 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.002 4.510 -7.580 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -19.536 4.028 -8.031 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -17.107 0.638 -8.116 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -21.107 2.057 -7.931 1.00 2.98 H new ATOM 405 N ASN A 25 -14.125 3.246 -10.055 1.00 0.37 N ATOM 406 CA ASN A 25 -13.095 2.339 -10.582 1.00 0.35 C ATOM 407 C ASN A 25 -12.965 1.119 -9.665 1.00 0.34 C ATOM 408 O ASN A 25 -12.958 1.255 -8.438 1.00 0.55 O ATOM 409 CB ASN A 25 -11.745 3.077 -10.662 1.00 0.44 C ATOM 410 CG ASN A 25 -10.706 2.262 -11.444 1.00 0.99 C ATOM 411 OD1 ASN A 25 -10.891 1.975 -12.627 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.611 1.893 -10.791 1.00 1.49 N ATOM 0 H ASN A 25 -13.749 4.045 -9.545 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.382 2.009 -11.580 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -11.886 4.045 -11.142 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.375 3.271 -9.655 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -8.889 1.354 -11.269 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.491 2.149 -9.811 1.00 1.49 H new ATOM 419 N VAL A 26 -12.861 -0.066 -10.257 1.00 0.22 N ATOM 420 CA VAL A 26 -12.731 -1.306 -9.493 1.00 0.21 C ATOM 421 C VAL A 26 -11.863 -2.307 -10.257 1.00 0.18 C ATOM 422 O VAL A 26 -11.698 -2.208 -11.475 1.00 0.23 O ATOM 423 CB VAL A 26 -14.133 -1.880 -9.187 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.591 -2.904 -10.237 1.00 0.31 C ATOM 425 CG2 VAL A 26 -14.173 -2.488 -7.784 1.00 0.31 C ATOM 0 H VAL A 26 -12.864 -0.196 -11.269 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.237 -1.101 -8.543 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.834 -1.047 -9.230 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.581 -3.276 -9.975 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.630 -2.428 -11.217 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -13.887 -3.736 -10.265 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -15.169 -2.886 -7.588 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.440 -3.292 -7.715 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.939 -1.719 -7.048 1.00 0.31 H new ATOM 435 N TYR A 27 -11.317 -3.271 -9.527 1.00 0.16 N ATOM 436 CA TYR A 27 -10.463 -4.315 -10.096 1.00 0.16 C ATOM 437 C TYR A 27 -11.220 -5.643 -10.049 1.00 0.19 C ATOM 438 O TYR A 27 -11.422 -6.214 -8.979 1.00 0.34 O ATOM 439 CB TYR A 27 -9.152 -4.385 -9.300 1.00 0.17 C ATOM 440 CG TYR A 27 -8.074 -5.211 -9.965 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.238 -4.631 -10.904 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.926 -6.551 -9.648 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.258 -5.387 -11.521 1.00 0.33 C ATOM 444 CE2 TYR A 27 -6.943 -7.306 -10.265 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.088 -6.722 -11.159 1.00 0.29 C ATOM 446 OH TYR A 27 -5.134 -7.466 -11.821 1.00 0.37 O ATOM 0 H TYR A 27 -11.452 -3.354 -8.519 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.215 -4.093 -11.134 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.777 -3.373 -9.146 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.359 -4.802 -8.314 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.351 -3.587 -11.155 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.578 -7.008 -8.918 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.628 -4.945 -12.279 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.851 -8.358 -10.040 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.202 -8.404 -11.546 1.00 0.37 H new ATOM 456 N CYS A 28 -11.665 -6.111 -11.211 1.00 0.16 N ATOM 457 CA CYS A 28 -12.435 -7.357 -11.312 1.00 0.19 C ATOM 458 C CYS A 28 -11.518 -8.568 -11.508 1.00 0.19 C ATOM 459 O CYS A 28 -10.571 -8.521 -12.295 1.00 0.23 O ATOM 460 CB CYS A 28 -13.420 -7.251 -12.477 1.00 0.23 C ATOM 461 SG CYS A 28 -14.606 -5.913 -12.250 1.00 0.34 S ATOM 0 H CYS A 28 -11.507 -5.646 -12.105 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.980 -7.502 -10.379 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.868 -7.091 -13.403 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -13.956 -8.194 -12.584 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.297 -6.124 -11.170 1.00 0.34 H new ATOM 467 N VAL A 29 -11.817 -9.652 -10.791 1.00 0.21 N ATOM 468 CA VAL A 29 -11.048 -10.899 -10.869 1.00 0.24 C ATOM 469 C VAL A 29 -12.014 -12.081 -10.878 1.00 0.26 C ATOM 470 O VAL A 29 -12.788 -12.247 -9.941 1.00 0.38 O ATOM 471 CB VAL A 29 -10.105 -11.014 -9.660 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.330 -12.336 -9.688 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.146 -9.828 -9.607 1.00 0.33 C ATOM 0 H VAL A 29 -12.600 -9.692 -10.138 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.453 -10.900 -11.782 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.716 -11.002 -8.757 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.671 -12.390 -8.821 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.032 -13.170 -9.663 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.735 -12.390 -10.600 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.488 -9.930 -8.744 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.548 -9.803 -10.518 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.716 -8.903 -9.521 1.00 0.33 H new ATOM 483 N ILE A 30 -11.956 -12.900 -11.929 1.00 0.28 N ATOM 484 CA ILE A 30 -12.817 -14.089 -12.067 1.00 0.32 C ATOM 485 C ILE A 30 -11.970 -15.339 -11.844 1.00 0.35 C ATOM 486 O ILE A 30 -10.895 -15.479 -12.436 1.00 0.44 O ATOM 487 CB ILE A 30 -13.469 -14.127 -13.463 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.909 -12.726 -13.911 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.665 -15.083 -13.474 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.570 -12.755 -15.294 1.00 0.57 C ATOM 0 H ILE A 30 -11.314 -12.764 -12.710 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.614 -14.048 -11.325 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.721 -14.490 -14.167 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.607 -12.313 -13.183 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.044 -12.063 -13.935 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -15.112 -15.096 -14.468 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.331 -16.087 -13.214 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.406 -14.748 -12.748 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.868 -11.745 -15.576 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.863 -13.143 -16.027 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.450 -13.397 -15.263 1.00 0.57 H new ATOM 502 N ASN A 31 -12.445 -16.238 -10.985 1.00 0.46 N ATOM 503 CA ASN A 31 -11.719 -17.474 -10.675 1.00 0.58 C ATOM 504 C ASN A 31 -12.691 -18.653 -10.595 1.00 0.71 C ATOM 505 O ASN A 31 -13.026 -19.131 -9.509 1.00 1.20 O ATOM 506 CB ASN A 31 -10.940 -17.306 -9.357 1.00 0.73 C ATOM 507 CG ASN A 31 -10.072 -18.535 -9.064 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.321 -19.268 -8.105 1.00 1.27 O ATOM 509 ND2 ASN A 31 -9.051 -18.757 -9.878 1.00 1.47 N ATOM 0 H ASN A 31 -13.330 -16.136 -10.489 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.005 -17.681 -11.472 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -10.310 -16.418 -9.415 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -11.639 -17.148 -8.536 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -8.439 -19.558 -9.721 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -8.877 -18.127 -10.661 1.00 1.47 H new ATOM 516 N ASN A 32 -13.125 -19.121 -11.766 1.00 0.85 N ATOM 517 CA ASN A 32 -14.036 -20.266 -11.888 1.00 1.00 C ATOM 518 C ASN A 32 -15.400 -19.991 -11.237 1.00 1.00 C ATOM 519 O ASN A 32 -15.610 -20.292 -10.056 1.00 1.97 O ATOM 520 CB ASN A 32 -13.378 -21.520 -11.272 1.00 1.24 C ATOM 521 CG ASN A 32 -13.994 -22.811 -11.822 1.00 1.73 C ATOM 522 OD1 ASN A 32 -14.835 -22.787 -12.722 1.00 2.06 O ATOM 523 ND2 ASN A 32 -13.567 -23.942 -11.284 1.00 2.52 N ATOM 0 H ASN A 32 -12.855 -18.716 -12.662 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.222 -20.438 -12.948 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -12.308 -21.509 -11.481 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -13.492 -21.495 -10.188 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -13.936 -24.834 -11.613 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -12.869 -23.921 -10.540 1.00 2.52 H new ATOM 530 N GLN A 33 -16.330 -19.450 -12.028 1.00 0.75 N ATOM 531 CA GLN A 33 -17.708 -19.153 -11.592 1.00 0.67 C ATOM 532 C GLN A 33 -17.818 -17.941 -10.651 1.00 0.56 C ATOM 533 O GLN A 33 -18.782 -17.159 -10.769 1.00 0.71 O ATOM 534 CB GLN A 33 -18.335 -20.383 -10.912 1.00 0.83 C ATOM 535 CG GLN A 33 -19.865 -20.304 -10.912 1.00 1.46 C ATOM 536 CD GLN A 33 -20.452 -21.339 -9.958 1.00 1.85 C ATOM 537 OE1 GLN A 33 -20.879 -22.414 -10.382 1.00 2.11 O ATOM 538 NE2 GLN A 33 -20.470 -21.024 -8.674 1.00 2.67 N ATOM 0 H GLN A 33 -16.151 -19.201 -13.001 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.253 -18.898 -12.501 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.016 -21.288 -11.429 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -17.973 -20.457 -9.886 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -20.184 -19.305 -10.615 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -20.244 -20.473 -11.920 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -20.106 -20.123 -8.365 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -20.848 -21.682 -7.993 1.00 2.67 H new ATOM 547 N GLU A 34 -16.873 -17.806 -9.701 1.00 0.53 N ATOM 548 CA GLU A 34 -16.909 -16.719 -8.721 1.00 0.49 C ATOM 549 C GLU A 34 -15.931 -15.608 -9.090 1.00 0.45 C ATOM 550 O GLU A 34 -14.796 -15.875 -9.503 1.00 0.64 O ATOM 551 CB GLU A 34 -16.563 -17.273 -7.328 1.00 0.61 C ATOM 552 CG GLU A 34 -17.438 -18.482 -6.950 1.00 1.25 C ATOM 553 CD GLU A 34 -18.906 -18.082 -6.834 1.00 1.42 C ATOM 554 OE1 GLU A 34 -19.233 -17.245 -5.966 1.00 1.79 O ATOM 555 OE2 GLU A 34 -19.736 -18.605 -7.604 1.00 1.89 O ATOM 0 H GLU A 34 -16.079 -18.438 -9.597 1.00 0.53 H new ATOM 0 HA GLU A 34 -17.914 -16.297 -8.714 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -15.513 -17.565 -7.305 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -16.691 -16.487 -6.584 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -17.329 -19.263 -7.702 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -17.096 -18.901 -6.004 1.00 1.25 H new ATOM 562 N MET A 35 -16.371 -14.365 -8.911 1.00 0.36 N ATOM 563 CA MET A 35 -15.549 -13.188 -9.189 1.00 0.35 C ATOM 564 C MET A 35 -15.459 -12.309 -7.941 1.00 0.32 C ATOM 565 O MET A 35 -16.379 -12.287 -7.120 1.00 0.42 O ATOM 566 CB MET A 35 -16.115 -12.390 -10.378 1.00 0.41 C ATOM 567 CG MET A 35 -17.462 -11.733 -10.062 1.00 0.43 C ATOM 568 SD MET A 35 -18.084 -10.744 -11.433 1.00 0.60 S ATOM 569 CE MET A 35 -16.973 -9.328 -11.383 1.00 1.25 C ATOM 0 H MET A 35 -17.306 -14.144 -8.569 1.00 0.36 H new ATOM 0 HA MET A 35 -14.546 -13.520 -9.458 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.399 -11.621 -10.667 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.232 -13.055 -11.234 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.191 -12.505 -9.815 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.357 -11.101 -9.180 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.483 -8.451 -11.782 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.674 -9.136 -10.352 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.088 -9.538 -11.984 1.00 1.25 H new ATOM 579 N GLY A 36 -14.346 -11.596 -7.806 1.00 0.27 N ATOM 580 CA GLY A 36 -14.108 -10.715 -6.662 1.00 0.29 C ATOM 581 C GLY A 36 -13.833 -9.283 -7.116 1.00 0.25 C ATOM 582 O GLY A 36 -13.128 -9.056 -8.106 1.00 0.28 O ATOM 0 H GLY A 36 -13.583 -11.610 -8.483 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.975 -10.730 -6.002 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.261 -11.085 -6.084 1.00 0.29 H new ATOM 586 N PHE A 37 -14.389 -8.321 -6.376 1.00 0.24 N ATOM 587 CA PHE A 37 -14.213 -6.893 -6.662 1.00 0.25 C ATOM 588 C PHE A 37 -13.139 -6.314 -5.738 1.00 0.25 C ATOM 589 O PHE A 37 -13.409 -5.996 -4.578 1.00 0.40 O ATOM 590 CB PHE A 37 -15.541 -6.152 -6.462 1.00 0.30 C ATOM 591 CG PHE A 37 -16.560 -6.485 -7.529 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.369 -6.048 -8.829 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.691 -7.223 -7.211 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.297 -6.354 -9.810 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.620 -7.529 -8.193 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.425 -7.091 -9.491 1.00 0.33 C ATOM 0 H PHE A 37 -14.974 -8.509 -5.562 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.896 -6.768 -7.698 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.950 -6.404 -5.483 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.357 -5.078 -6.463 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.494 -5.467 -9.078 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.848 -7.560 -6.197 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.141 -6.018 -10.824 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.496 -8.109 -7.945 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.152 -7.324 -10.255 1.00 0.33 H new ATOM 606 N TYR A 38 -11.921 -6.196 -6.263 1.00 0.20 N ATOM 607 CA TYR A 38 -10.774 -5.671 -5.504 1.00 0.21 C ATOM 608 C TYR A 38 -10.485 -4.211 -5.875 1.00 0.21 C ATOM 609 O TYR A 38 -11.132 -3.633 -6.753 1.00 0.23 O ATOM 610 CB TYR A 38 -9.534 -6.531 -5.782 1.00 0.23 C ATOM 611 CG TYR A 38 -9.692 -7.963 -5.331 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.342 -8.331 -4.043 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.192 -8.911 -6.205 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.487 -9.645 -3.636 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.335 -10.224 -5.799 1.00 0.35 C ATOM 616 CZ TYR A 38 -9.976 -10.579 -4.497 1.00 0.44 C ATOM 617 OH TYR A 38 -10.134 -11.888 -4.105 1.00 0.55 O ATOM 0 H TYR A 38 -11.696 -6.459 -7.222 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.020 -5.710 -4.443 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.320 -6.515 -6.851 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.674 -6.091 -5.278 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -8.956 -7.592 -3.356 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.472 -8.624 -7.208 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.211 -9.931 -2.632 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.720 -10.968 -6.481 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.496 -12.411 -4.850 1.00 0.55 H new ATOM 627 N LYS A 39 -9.498 -3.625 -5.194 1.00 0.25 N ATOM 628 CA LYS A 39 -9.094 -2.234 -5.431 1.00 0.29 C ATOM 629 C LYS A 39 -8.132 -2.154 -6.621 1.00 0.28 C ATOM 630 O LYS A 39 -8.265 -1.276 -7.473 1.00 0.33 O ATOM 631 CB LYS A 39 -8.426 -1.662 -4.172 1.00 0.36 C ATOM 632 CG LYS A 39 -8.301 -0.136 -4.238 1.00 0.70 C ATOM 633 CD LYS A 39 -7.483 0.411 -3.060 1.00 1.15 C ATOM 634 CE LYS A 39 -6.038 0.735 -3.457 1.00 1.82 C ATOM 635 NZ LYS A 39 -5.133 -0.439 -3.263 1.00 2.51 N ATOM 0 H LYS A 39 -8.959 -4.096 -4.467 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.981 -1.645 -5.662 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -9.007 -1.942 -3.293 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.436 -2.103 -4.053 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.827 0.151 -5.177 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.294 0.312 -4.232 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -7.962 1.311 -2.674 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -7.480 -0.320 -2.252 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -6.009 1.048 -4.501 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -5.677 1.574 -2.863 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -4.144 -0.118 -3.260 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -5.351 -0.899 -2.356 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -5.274 -1.118 -4.038 1.00 2.51 H new ATOM 649 N ASP A 40 -7.166 -3.074 -6.667 1.00 0.28 N ATOM 650 CA ASP A 40 -6.169 -3.119 -7.745 1.00 0.32 C ATOM 651 C ASP A 40 -5.498 -4.497 -7.811 1.00 0.33 C ATOM 652 O ASP A 40 -5.937 -5.454 -7.164 1.00 0.32 O ATOM 653 CB ASP A 40 -5.110 -2.012 -7.559 1.00 0.38 C ATOM 654 CG ASP A 40 -4.169 -2.307 -6.389 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.620 -2.232 -5.228 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.975 -2.593 -6.631 1.00 0.94 O ATOM 0 H ASP A 40 -7.051 -3.805 -5.965 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.686 -2.944 -8.688 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.528 -1.910 -8.475 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.609 -1.058 -7.391 1.00 0.38 H new ATOM 661 N ALA A 41 -4.420 -4.575 -8.600 1.00 0.40 N ATOM 662 CA ALA A 41 -3.648 -5.814 -8.784 1.00 0.45 C ATOM 663 C ALA A 41 -3.022 -6.298 -7.470 1.00 0.45 C ATOM 664 O ALA A 41 -3.043 -7.496 -7.173 1.00 0.47 O ATOM 665 CB ALA A 41 -2.554 -5.589 -9.828 1.00 0.55 C ATOM 0 H ALA A 41 -4.057 -3.783 -9.130 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.335 -6.587 -9.127 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -1.984 -6.508 -9.962 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.009 -5.303 -10.776 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.888 -4.795 -9.491 1.00 0.55 H new ATOM 671 N LYS A 42 -2.481 -5.368 -6.679 1.00 0.46 N ATOM 672 CA LYS A 42 -1.858 -5.706 -5.389 1.00 0.48 C ATOM 673 C LYS A 42 -2.906 -6.252 -4.416 1.00 0.43 C ATOM 674 O LYS A 42 -2.684 -7.266 -3.750 1.00 0.47 O ATOM 675 CB LYS A 42 -1.178 -4.469 -4.786 1.00 0.54 C ATOM 676 CG LYS A 42 -0.085 -3.912 -5.708 1.00 0.77 C ATOM 677 CD LYS A 42 1.081 -4.892 -5.896 1.00 1.12 C ATOM 678 CE LYS A 42 1.615 -5.437 -4.563 1.00 1.96 C ATOM 679 NZ LYS A 42 1.852 -4.343 -3.574 1.00 2.76 N ATOM 0 H LYS A 42 -2.460 -4.374 -6.906 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.105 -6.475 -5.561 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.925 -3.697 -4.601 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.742 -4.728 -3.821 1.00 0.54 H new ATOM 0 HG2 LYS A 42 -0.519 -3.678 -6.680 1.00 0.77 H new ATOM 0 HG3 LYS A 42 0.293 -2.977 -5.294 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.754 -5.724 -6.520 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.889 -4.392 -6.430 1.00 1.12 H new ATOM 0 HE2 LYS A 42 0.903 -6.152 -4.151 1.00 1.96 H new ATOM 0 HE3 LYS A 42 2.545 -5.978 -4.737 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 2.704 -4.557 -3.017 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 1.985 -3.443 -4.077 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 1.033 -4.266 -2.938 1.00 2.76 H new ATOM 693 N SER A 43 -4.055 -5.579 -4.358 1.00 0.38 N ATOM 694 CA SER A 43 -5.163 -5.983 -3.488 1.00 0.38 C ATOM 695 C SER A 43 -5.689 -7.375 -3.870 1.00 0.39 C ATOM 696 O SER A 43 -6.062 -8.167 -3.000 1.00 0.45 O ATOM 697 CB SER A 43 -6.278 -4.946 -3.567 1.00 0.37 C ATOM 698 OG SER A 43 -5.756 -3.641 -3.334 1.00 1.04 O ATOM 0 H SER A 43 -4.245 -4.742 -4.909 1.00 0.38 H new ATOM 0 HA SER A 43 -4.799 -6.040 -2.462 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.752 -4.986 -4.548 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.049 -5.174 -2.831 1.00 0.37 H new ATOM 0 HG SER A 43 -5.461 -3.250 -4.183 1.00 1.04 H new ATOM 704 N ALA A 44 -5.695 -7.670 -5.173 1.00 0.37 N ATOM 705 CA ALA A 44 -6.150 -8.969 -5.688 1.00 0.43 C ATOM 706 C ALA A 44 -5.099 -10.057 -5.429 1.00 0.51 C ATOM 707 O ALA A 44 -5.440 -11.202 -5.134 1.00 0.59 O ATOM 708 CB ALA A 44 -6.424 -8.866 -7.191 1.00 0.43 C ATOM 0 H ALA A 44 -5.387 -7.022 -5.898 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.068 -9.242 -5.167 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.761 -9.832 -7.566 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.196 -8.118 -7.370 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.510 -8.574 -7.708 1.00 0.43 H new ATOM 714 N ALA A 45 -3.819 -9.692 -5.549 1.00 0.54 N ATOM 715 CA ALA A 45 -2.711 -10.630 -5.334 1.00 0.64 C ATOM 716 C ALA A 45 -2.593 -11.008 -3.853 1.00 0.68 C ATOM 717 O ALA A 45 -2.432 -12.182 -3.516 1.00 0.76 O ATOM 718 CB ALA A 45 -1.400 -10.010 -5.826 1.00 0.69 C ATOM 0 H ALA A 45 -3.523 -8.748 -5.795 1.00 0.54 H new ATOM 0 HA ALA A 45 -2.914 -11.538 -5.902 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -0.582 -10.712 -5.663 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.480 -9.786 -6.890 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.204 -9.090 -5.276 1.00 0.69 H new ATOM 724 N SER A 46 -2.678 -10.007 -2.973 1.00 0.65 N ATOM 725 CA SER A 46 -2.586 -10.228 -1.523 1.00 0.73 C ATOM 726 C SER A 46 -3.888 -10.834 -0.979 1.00 0.74 C ATOM 727 O SER A 46 -3.862 -11.669 -0.072 1.00 0.84 O ATOM 728 CB SER A 46 -2.287 -8.907 -0.803 1.00 0.75 C ATOM 729 OG SER A 46 -1.071 -8.333 -1.273 1.00 1.21 O ATOM 0 H SER A 46 -2.811 -9.031 -3.238 1.00 0.65 H new ATOM 0 HA SER A 46 -1.773 -10.929 -1.338 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.108 -8.208 -0.962 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.220 -9.081 0.271 1.00 0.75 H new ATOM 0 HG SER A 46 -1.233 -7.873 -2.123 1.00 1.21 H new ATOM 735 N GLY A 47 -5.021 -10.410 -1.544 1.00 0.70 N ATOM 736 CA GLY A 47 -6.339 -10.901 -1.131 1.00 0.74 C ATOM 737 C GLY A 47 -6.951 -9.983 -0.072 1.00 0.75 C ATOM 738 O GLY A 47 -7.347 -10.437 1.003 1.00 0.88 O ATOM 0 H GLY A 47 -5.052 -9.721 -2.296 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -6.999 -10.957 -1.996 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.248 -11.912 -0.734 1.00 0.74 H new ATOM 742 N ILE A 48 -7.024 -8.690 -0.394 1.00 0.67 N ATOM 743 CA ILE A 48 -7.585 -7.673 0.509 1.00 0.72 C ATOM 744 C ILE A 48 -8.999 -7.303 0.047 1.00 0.75 C ATOM 745 O ILE A 48 -9.197 -6.942 -1.112 1.00 0.75 O ATOM 746 CB ILE A 48 -6.681 -6.425 0.514 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.244 -6.796 0.913 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.228 -5.354 1.464 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.301 -5.595 0.802 1.00 0.97 C ATOM 0 H ILE A 48 -6.698 -8.315 -1.285 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.636 -8.073 1.522 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.671 -6.018 -0.497 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.235 -7.173 1.936 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.885 -7.602 0.273 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.571 -4.484 1.448 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.228 -5.060 1.144 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.275 -5.755 2.476 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.294 -5.895 1.092 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.290 -5.235 -0.227 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.646 -4.799 1.462 1.00 0.97 H new ATOM 761 N PRO A 49 -10.009 -7.388 0.937 1.00 0.84 N ATOM 762 CA PRO A 49 -11.403 -7.058 0.583 1.00 0.93 C ATOM 763 C PRO A 49 -11.631 -5.541 0.458 1.00 0.93 C ATOM 764 O PRO A 49 -11.450 -4.794 1.422 1.00 1.08 O ATOM 765 CB PRO A 49 -12.222 -7.660 1.725 1.00 1.07 C ATOM 766 CG PRO A 49 -11.294 -7.727 2.894 1.00 1.06 C ATOM 767 CD PRO A 49 -9.887 -7.813 2.347 1.00 0.92 C ATOM 0 HA PRO A 49 -11.684 -7.455 -0.393 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.092 -7.044 1.950 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.593 -8.651 1.462 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.407 -6.846 3.526 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.519 -8.595 3.514 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.207 -7.165 2.899 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.493 -8.827 2.423 1.00 0.92 H new ATOM 775 N TYR A 50 -12.024 -5.103 -0.740 1.00 0.87 N ATOM 776 CA TYR A 50 -12.282 -3.681 -1.028 1.00 0.91 C ATOM 777 C TYR A 50 -13.537 -3.190 -0.289 1.00 1.12 C ATOM 778 O TYR A 50 -13.588 -2.056 0.185 1.00 1.91 O ATOM 779 CB TYR A 50 -12.447 -3.501 -2.545 1.00 0.92 C ATOM 780 CG TYR A 50 -12.578 -2.060 -3.008 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.701 -1.085 -2.552 1.00 1.02 C ATOM 782 CD2 TYR A 50 -13.565 -1.721 -3.919 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.818 0.220 -3.007 1.00 1.13 C ATOM 784 CE2 TYR A 50 -13.683 -0.415 -4.365 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.808 0.546 -3.910 1.00 1.17 C ATOM 786 OH TYR A 50 -12.921 1.840 -4.367 1.00 1.34 O ATOM 0 H TYR A 50 -12.174 -5.718 -1.540 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.439 -3.086 -0.678 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.589 -3.951 -3.045 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.330 -4.053 -2.868 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.928 -1.343 -1.843 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -14.245 -2.477 -4.283 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.135 0.979 -2.655 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -14.459 -0.151 -5.068 1.00 1.24 H new ATOM 0 HH TYR A 50 -13.668 1.900 -4.998 1.00 1.34 H new ATOM 796 N HIS A 51 -14.537 -4.067 -0.188 1.00 1.28 N ATOM 797 CA HIS A 51 -15.799 -3.767 0.501 1.00 1.53 C ATOM 798 C HIS A 51 -16.215 -4.991 1.329 1.00 1.61 C ATOM 799 O HIS A 51 -15.399 -5.884 1.579 1.00 2.07 O ATOM 800 CB HIS A 51 -16.890 -3.398 -0.531 1.00 2.01 C ATOM 801 CG HIS A 51 -16.959 -1.926 -0.821 1.00 2.54 C ATOM 802 ND1 HIS A 51 -17.549 -1.021 0.024 1.00 3.19 N ATOM 803 CD2 HIS A 51 -16.509 -1.188 -1.865 1.00 2.89 C ATOM 804 CE1 HIS A 51 -17.470 0.196 -0.460 1.00 3.87 C ATOM 805 NE2 HIS A 51 -16.839 0.132 -1.623 1.00 3.74 N ATOM 0 H HIS A 51 -14.497 -5.007 -0.581 1.00 1.28 H new ATOM 0 HA HIS A 51 -15.668 -2.915 1.168 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.699 -3.936 -1.460 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.859 -3.734 -0.161 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -15.986 -1.564 -2.732 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -17.852 1.092 0.007 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -16.632 0.921 -2.235 1.00 3.74 H new ATOM 813 N SER A 52 -17.479 -5.043 1.745 1.00 1.60 N ATOM 814 CA SER A 52 -18.002 -6.169 2.530 1.00 1.96 C ATOM 815 C SER A 52 -18.333 -7.334 1.589 1.00 1.85 C ATOM 816 O SER A 52 -17.729 -8.406 1.664 1.00 2.45 O ATOM 817 CB SER A 52 -19.256 -5.733 3.320 1.00 2.44 C ATOM 818 OG SER A 52 -19.765 -4.488 2.841 1.00 2.65 O ATOM 0 H SER A 52 -18.167 -4.315 1.552 1.00 1.60 H new ATOM 0 HA SER A 52 -17.247 -6.494 3.246 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.026 -6.500 3.236 1.00 2.44 H new ATOM 0 HB3 SER A 52 -19.009 -5.644 4.378 1.00 2.44 H new ATOM 0 HG SER A 52 -20.311 -4.643 2.042 1.00 2.65 H new ATOM 824 N GLU A 53 -19.291 -7.098 0.696 1.00 1.45 N ATOM 825 CA GLU A 53 -19.732 -8.088 -0.286 1.00 1.37 C ATOM 826 C GLU A 53 -18.794 -8.071 -1.503 1.00 1.08 C ATOM 827 O GLU A 53 -19.146 -7.568 -2.571 1.00 1.24 O ATOM 828 CB GLU A 53 -21.176 -7.767 -0.707 1.00 1.73 C ATOM 829 CG GLU A 53 -22.081 -7.515 0.510 1.00 2.39 C ATOM 830 CD GLU A 53 -22.254 -6.018 0.774 1.00 2.88 C ATOM 831 OE1 GLU A 53 -21.246 -5.277 0.770 1.00 3.46 O ATOM 832 OE2 GLU A 53 -23.399 -5.572 0.989 1.00 3.23 O ATOM 0 H GLU A 53 -19.787 -6.209 0.632 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.702 -9.085 0.153 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.180 -6.888 -1.352 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.576 -8.594 -1.293 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -23.056 -7.972 0.341 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.652 -7.994 1.390 1.00 2.39 H new ATOM 839 N VAL A 54 -17.584 -8.600 -1.313 1.00 0.84 N ATOM 840 CA VAL A 54 -16.556 -8.635 -2.367 1.00 0.66 C ATOM 841 C VAL A 54 -16.753 -9.803 -3.350 1.00 0.55 C ATOM 842 O VAL A 54 -16.592 -9.614 -4.558 1.00 0.49 O ATOM 843 CB VAL A 54 -15.153 -8.712 -1.736 1.00 0.81 C ATOM 844 CG1 VAL A 54 -14.063 -8.481 -2.792 1.00 0.77 C ATOM 845 CG2 VAL A 54 -15.020 -7.701 -0.595 1.00 1.34 C ATOM 0 H VAL A 54 -17.285 -9.015 -0.431 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.656 -7.712 -2.939 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.021 -9.714 -1.327 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.082 -8.540 -2.321 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.140 -9.243 -3.567 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -14.192 -7.495 -3.238 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.022 -7.770 -0.162 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.179 -6.694 -0.981 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.764 -7.917 0.171 1.00 1.34 H new ATOM 855 N PRO A 55 -17.083 -11.027 -2.868 1.00 0.62 N ATOM 856 CA PRO A 55 -17.269 -12.193 -3.745 1.00 0.59 C ATOM 857 C PRO A 55 -18.682 -12.267 -4.339 1.00 0.58 C ATOM 858 O PRO A 55 -19.675 -12.276 -3.605 1.00 0.83 O ATOM 859 CB PRO A 55 -16.985 -13.381 -2.826 1.00 0.76 C ATOM 860 CG PRO A 55 -17.262 -12.901 -1.432 1.00 0.87 C ATOM 861 CD PRO A 55 -17.292 -11.387 -1.452 1.00 0.83 C ATOM 0 HA PRO A 55 -16.615 -12.158 -4.616 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.619 -14.231 -3.079 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.952 -13.713 -2.926 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.214 -13.296 -1.076 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.493 -13.257 -0.747 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.244 -11.005 -1.083 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.512 -10.967 -0.817 1.00 0.83 H new ATOM 869 N VAL A 56 -18.750 -12.329 -5.668 1.00 0.41 N ATOM 870 CA VAL A 56 -20.016 -12.417 -6.407 1.00 0.43 C ATOM 871 C VAL A 56 -19.933 -13.571 -7.411 1.00 0.42 C ATOM 872 O VAL A 56 -18.876 -13.827 -7.991 1.00 0.43 O ATOM 873 CB VAL A 56 -20.296 -11.084 -7.123 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.491 -11.192 -8.076 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.540 -9.974 -6.100 1.00 0.63 C ATOM 0 H VAL A 56 -17.926 -12.320 -6.269 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.837 -12.610 -5.717 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.416 -10.839 -7.718 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.657 -10.231 -8.562 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.286 -11.950 -8.832 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.381 -11.472 -7.513 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.737 -9.037 -6.620 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.399 -10.232 -5.481 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.659 -9.861 -5.469 1.00 0.63 H new ATOM 885 N SER A 57 -21.045 -14.280 -7.589 1.00 0.47 N ATOM 886 CA SER A 57 -21.121 -15.428 -8.482 1.00 0.48 C ATOM 887 C SER A 57 -21.607 -15.036 -9.890 1.00 0.46 C ATOM 888 O SER A 57 -22.632 -14.366 -10.040 1.00 0.59 O ATOM 889 CB SER A 57 -22.082 -16.441 -7.870 1.00 0.61 C ATOM 890 OG SER A 57 -21.799 -16.654 -6.486 1.00 0.91 O ATOM 0 H SER A 57 -21.923 -14.071 -7.114 1.00 0.47 H new ATOM 0 HA SER A 57 -20.123 -15.851 -8.594 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.107 -16.088 -7.984 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.009 -17.386 -8.408 1.00 0.61 H new ATOM 0 HG SER A 57 -20.838 -16.548 -6.329 1.00 0.91 H new ATOM 896 N LEU A 58 -20.889 -15.504 -10.919 1.00 0.44 N ATOM 897 CA LEU A 58 -21.247 -15.259 -12.326 1.00 0.49 C ATOM 898 C LEU A 58 -22.039 -16.458 -12.857 1.00 0.60 C ATOM 899 O LEU A 58 -21.767 -16.981 -13.940 1.00 0.89 O ATOM 900 CB LEU A 58 -19.982 -15.051 -13.176 1.00 0.67 C ATOM 901 CG LEU A 58 -19.328 -13.695 -12.905 1.00 0.70 C ATOM 902 CD1 LEU A 58 -17.988 -13.597 -13.635 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.256 -12.545 -13.311 1.00 0.60 C ATOM 0 H LEU A 58 -20.044 -16.063 -10.802 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.855 -14.357 -12.389 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.268 -15.847 -12.965 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -20.239 -15.125 -14.233 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.145 -13.611 -11.834 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.534 -12.627 -13.433 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.325 -14.388 -13.285 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -18.149 -13.706 -14.707 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -19.766 -11.593 -13.107 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.481 -12.617 -14.375 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.182 -12.606 -12.740 1.00 0.60 H new ATOM 915 N LYS A 59 -23.016 -16.893 -12.068 1.00 0.70 N ATOM 916 CA LYS A 59 -23.866 -18.032 -12.411 1.00 0.90 C ATOM 917 C LYS A 59 -24.990 -17.584 -13.341 1.00 0.87 C ATOM 918 O LYS A 59 -25.910 -16.890 -12.912 1.00 0.95 O ATOM 919 CB LYS A 59 -24.444 -18.628 -11.121 1.00 1.13 C ATOM 920 CG LYS A 59 -25.307 -19.861 -11.394 1.00 1.41 C ATOM 921 CD LYS A 59 -25.925 -20.401 -10.106 1.00 1.78 C ATOM 922 CE LYS A 59 -27.210 -19.649 -9.740 1.00 2.18 C ATOM 923 NZ LYS A 59 -28.401 -20.231 -10.416 1.00 2.83 N ATOM 0 H LYS A 59 -23.243 -16.466 -11.170 1.00 0.70 H new ATOM 0 HA LYS A 59 -23.277 -18.790 -12.927 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.629 -18.898 -10.450 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -25.042 -17.874 -10.609 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -26.097 -19.606 -12.100 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -24.700 -20.636 -11.862 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -26.144 -21.462 -10.224 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -25.206 -20.313 -9.291 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -27.354 -19.679 -8.660 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -27.110 -18.600 -10.019 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -29.191 -19.556 -10.370 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -28.173 -20.430 -11.411 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -28.673 -21.115 -9.940 1.00 2.83 H new ATOM 937 N GLU A 60 -24.908 -17.979 -14.615 1.00 0.89 N ATOM 938 CA GLU A 60 -25.913 -17.624 -15.629 1.00 0.93 C ATOM 939 C GLU A 60 -26.062 -16.100 -15.730 1.00 0.71 C ATOM 940 O GLU A 60 -27.162 -15.561 -15.584 1.00 0.82 O ATOM 941 CB GLU A 60 -27.270 -18.271 -15.300 1.00 1.20 C ATOM 942 CG GLU A 60 -27.144 -19.779 -15.050 1.00 1.43 C ATOM 943 CD GLU A 60 -28.349 -20.283 -14.269 1.00 1.80 C ATOM 944 OE1 GLU A 60 -28.368 -20.144 -13.036 1.00 2.33 O ATOM 945 OE2 GLU A 60 -29.278 -20.835 -14.891 1.00 2.04 O ATOM 0 H GLU A 60 -24.145 -18.553 -14.975 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.573 -18.005 -16.592 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.695 -17.792 -14.418 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.963 -18.097 -16.123 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -27.070 -20.308 -16.000 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -26.229 -19.988 -14.496 1.00 1.43 H new ATOM 952 N ALA A 61 -24.941 -15.415 -15.963 1.00 0.51 N ATOM 953 CA ALA A 61 -24.921 -13.955 -16.065 1.00 0.35 C ATOM 954 C ALA A 61 -25.177 -13.504 -17.502 1.00 0.35 C ATOM 955 O ALA A 61 -24.411 -13.832 -18.410 1.00 0.43 O ATOM 956 CB ALA A 61 -23.566 -13.417 -15.584 1.00 0.31 C ATOM 0 H ALA A 61 -24.028 -15.853 -16.085 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.715 -13.557 -15.434 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.558 -12.330 -15.662 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.407 -13.707 -14.545 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.770 -13.832 -16.202 1.00 0.31 H new ATOM 962 N ILE A 62 -26.241 -12.727 -17.694 1.00 0.34 N ATOM 963 CA ILE A 62 -26.595 -12.184 -19.010 1.00 0.37 C ATOM 964 C ILE A 62 -25.825 -10.875 -19.201 1.00 0.31 C ATOM 965 O ILE A 62 -25.731 -10.067 -18.271 1.00 0.31 O ATOM 966 CB ILE A 62 -28.116 -11.947 -19.111 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.900 -13.165 -18.595 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.526 -11.637 -20.554 1.00 0.57 C ATOM 969 CD1 ILE A 62 -29.213 -13.051 -17.102 1.00 1.27 C ATOM 0 H ILE A 62 -26.881 -12.455 -16.948 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.327 -12.892 -19.794 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.357 -11.087 -18.485 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -29.830 -13.262 -19.155 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.323 -14.072 -18.777 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.603 -11.474 -20.599 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.008 -10.740 -20.895 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.259 -12.476 -21.196 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -29.768 -13.932 -16.778 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -28.282 -12.981 -16.539 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -29.813 -12.159 -16.923 1.00 1.27 H new ATOM 981 N CYS A 63 -25.254 -10.678 -20.385 1.00 0.34 N ATOM 982 CA CYS A 63 -24.465 -9.480 -20.679 1.00 0.33 C ATOM 983 C CYS A 63 -24.978 -8.784 -21.942 1.00 0.34 C ATOM 984 O CYS A 63 -24.984 -9.365 -23.031 1.00 0.52 O ATOM 985 CB CYS A 63 -22.987 -9.871 -20.825 1.00 0.37 C ATOM 986 SG CYS A 63 -21.877 -8.625 -20.155 1.00 0.53 S ATOM 0 H CYS A 63 -25.322 -11.335 -21.162 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.566 -8.773 -19.856 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.813 -10.819 -20.316 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.758 -10.028 -21.879 1.00 0.37 H new ATOM 0 HG CYS A 63 -20.667 -9.099 -20.112 1.00 0.53 H new ATOM 992 N GLU A 64 -25.401 -7.530 -21.778 1.00 0.26 N ATOM 993 CA GLU A 64 -25.920 -6.709 -22.878 1.00 0.29 C ATOM 994 C GLU A 64 -24.929 -5.583 -23.182 1.00 0.24 C ATOM 995 O GLU A 64 -24.540 -4.835 -22.282 1.00 0.36 O ATOM 996 CB GLU A 64 -27.281 -6.109 -22.490 1.00 0.33 C ATOM 997 CG GLU A 64 -28.205 -7.140 -21.826 1.00 0.81 C ATOM 998 CD GLU A 64 -29.538 -6.496 -21.469 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.545 -5.522 -20.690 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -30.582 -6.971 -21.964 1.00 1.83 O ATOM 0 H GLU A 64 -25.394 -7.052 -20.877 1.00 0.26 H new ATOM 0 HA GLU A 64 -26.047 -7.333 -23.763 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.126 -5.272 -21.809 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.767 -5.710 -23.380 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.368 -7.981 -22.500 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.733 -7.538 -20.928 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.525 -5.460 -24.446 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.578 -4.423 -24.864 1.00 0.32 C ATOM 1009 C VAL A 65 -24.276 -3.056 -24.916 1.00 0.31 C ATOM 1010 O VAL A 65 -25.318 -2.897 -25.561 1.00 0.43 O ATOM 1011 CB VAL A 65 -22.970 -4.771 -26.236 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.869 -3.773 -26.604 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.408 -6.197 -26.245 1.00 0.39 C ATOM 0 H VAL A 65 -24.840 -6.068 -25.202 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.771 -4.373 -24.133 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.766 -4.710 -26.978 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.451 -4.034 -27.576 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.289 -2.768 -26.648 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.082 -3.805 -25.850 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -21.985 -6.415 -27.226 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.630 -6.286 -25.487 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.208 -6.905 -26.029 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.690 -2.078 -24.223 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.218 -0.715 -24.159 1.00 0.31 C ATOM 1025 C ALA A 66 -23.275 0.247 -24.893 1.00 0.34 C ATOM 1026 O ALA A 66 -22.279 0.734 -24.333 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.388 -0.294 -22.697 1.00 0.36 C ATOM 0 H ALA A 66 -22.832 -2.210 -23.688 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.192 -0.682 -24.647 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.781 0.722 -22.654 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.082 -0.973 -22.201 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.422 -0.330 -22.193 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.601 0.510 -26.153 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.815 1.408 -27.007 1.00 0.71 C ATOM 1035 C LEU A 67 -23.450 2.797 -27.027 1.00 0.89 C ATOM 1036 O LEU A 67 -22.773 3.805 -26.801 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.740 0.834 -28.437 1.00 0.76 C ATOM 1038 CG LEU A 67 -21.295 0.554 -28.860 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -21.266 -0.275 -30.140 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.516 1.861 -29.041 1.00 1.39 C ATOM 0 H LEU A 67 -24.417 0.109 -26.616 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.805 1.491 -26.606 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -23.320 -0.088 -28.490 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -23.194 1.537 -29.136 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.811 -0.018 -28.068 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -20.232 -0.465 -30.427 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -21.776 -1.223 -29.971 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -21.770 0.270 -30.938 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -19.493 1.636 -29.341 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -20.995 2.467 -29.810 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -20.505 2.411 -28.100 1.00 1.39 H new ATOM 1052 N ASP A 68 -24.756 2.837 -27.301 1.00 0.90 N ATOM 1053 CA ASP A 68 -25.525 4.090 -27.376 1.00 1.14 C ATOM 1054 C ASP A 68 -26.002 4.573 -25.992 1.00 0.87 C ATOM 1055 O ASP A 68 -27.027 5.249 -25.889 1.00 1.00 O ATOM 1056 CB ASP A 68 -26.729 3.914 -28.328 1.00 1.59 C ATOM 1057 CG ASP A 68 -27.712 2.846 -27.831 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -27.458 1.641 -28.045 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -28.752 3.211 -27.245 1.00 2.62 O ATOM 0 H ASP A 68 -25.315 2.002 -27.478 1.00 0.90 H new ATOM 0 HA ASP A 68 -24.858 4.858 -27.768 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -27.251 4.866 -28.430 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.369 3.640 -29.319 1.00 1.59 H new ATOM 1064 N TYR A 69 -25.255 4.248 -24.932 1.00 0.81 N ATOM 1065 CA TYR A 69 -25.610 4.670 -23.562 1.00 0.69 C ATOM 1066 C TYR A 69 -25.164 6.127 -23.297 1.00 0.97 C ATOM 1067 O TYR A 69 -25.190 6.598 -22.158 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.984 3.696 -22.545 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.320 4.008 -21.095 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.637 4.223 -20.714 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.316 4.056 -20.136 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.944 4.483 -19.390 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.628 4.322 -18.816 1.00 0.64 C ATOM 1074 CZ TYR A 69 -25.921 4.627 -18.465 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.249 4.781 -17.131 1.00 0.97 O ATOM 0 H TYR A 69 -24.400 3.695 -24.990 1.00 0.81 H new ATOM 0 HA TYR A 69 -26.694 4.642 -23.450 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -25.319 2.684 -22.774 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.901 3.709 -22.666 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.424 4.187 -21.453 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.289 3.885 -20.423 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.974 4.573 -19.079 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -23.856 4.290 -18.061 1.00 0.64 H new ATOM 0 HH TYR A 69 -25.430 4.869 -16.601 1.00 0.97 H new ATOM 1173 N HIS A 74 -16.665 1.860 -24.622 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.691 0.808 -24.660 1.00 0.38 C ATOM 1175 C HIS A 74 -18.106 0.375 -23.248 1.00 0.30 C ATOM 1176 O HIS A 74 -17.259 0.140 -22.381 1.00 0.37 O ATOM 1177 CB HIS A 74 -17.166 -0.407 -25.448 1.00 0.64 C ATOM 1178 CG HIS A 74 -17.236 -0.240 -26.942 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -17.518 -1.120 -27.938 1.00 1.30 N flip ATOM 1180 CD2 HIS A 74 -16.986 0.948 -27.581 1.00 1.38 C flip ATOM 1181 CE1 HIS A 74 -17.426 -0.440 -29.139 1.00 1.47 C flip ATOM 1182 NE2 HIS A 74 -17.101 0.817 -28.880 1.00 1.53 N flip ATOM 0 HA HIS A 74 -18.571 1.215 -25.158 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -16.131 -0.594 -25.161 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -17.740 -1.288 -25.163 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -16.728 1.869 -27.080 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -17.591 -0.862 -30.119 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -16.964 1.555 -29.571 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.421 0.259 -23.038 1.00 0.26 N ATOM 1191 CA VAL A 75 -19.993 -0.160 -21.756 1.00 0.23 C ATOM 1192 C VAL A 75 -20.843 -1.418 -21.971 1.00 0.22 C ATOM 1193 O VAL A 75 -21.327 -1.659 -23.074 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.850 0.991 -21.188 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.673 0.557 -19.969 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -19.963 2.180 -20.824 1.00 0.31 C ATOM 0 H VAL A 75 -20.120 0.454 -23.755 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.201 -0.393 -21.044 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.553 1.285 -21.968 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.259 1.402 -19.606 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.343 -0.254 -20.253 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -21.003 0.215 -19.181 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.580 2.985 -20.425 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.235 1.874 -20.073 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.441 2.530 -21.714 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.040 -2.207 -20.920 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.862 -3.421 -20.999 1.00 0.23 C ATOM 1208 C PHE A 76 -22.608 -3.610 -19.681 1.00 0.22 C ATOM 1209 O PHE A 76 -22.071 -3.333 -18.608 1.00 0.27 O ATOM 1210 CB PHE A 76 -21.021 -4.660 -21.351 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.898 -4.976 -20.380 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.652 -4.391 -20.547 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.126 -5.818 -19.305 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.637 -4.647 -19.643 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -19.108 -6.082 -18.404 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.832 -5.614 -18.647 1.00 0.29 C ATOM 0 H PHE A 76 -20.642 -2.031 -19.997 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.586 -3.301 -21.805 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.683 -5.524 -21.410 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.593 -4.519 -22.343 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.474 -3.734 -21.385 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -21.098 -6.269 -19.169 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.704 -4.107 -19.704 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.312 -6.654 -17.511 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.995 -5.988 -18.077 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.857 -4.062 -19.767 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.697 -4.274 -18.587 1.00 0.28 C ATOM 1228 C LYS A 77 -24.672 -5.745 -18.177 1.00 0.31 C ATOM 1229 O LYS A 77 -25.137 -6.613 -18.921 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.144 -3.844 -18.869 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.221 -2.567 -19.710 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.458 -1.736 -19.343 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.754 -2.367 -19.867 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.211 -3.489 -19.000 1.00 1.95 N ATOM 0 H LYS A 77 -24.314 -4.291 -20.650 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.300 -3.667 -17.774 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.665 -4.649 -19.388 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.663 -3.685 -17.924 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.321 -1.972 -19.556 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.254 -2.826 -20.768 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.517 -1.634 -18.259 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.353 -0.731 -19.752 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.533 -1.607 -19.919 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.596 -2.732 -20.882 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.234 -3.404 -18.833 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.011 -4.395 -19.470 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -28.708 -3.452 -18.091 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.139 -6.013 -16.992 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.051 -7.368 -16.456 1.00 0.24 C ATOM 1250 C LEU A 78 -25.254 -7.648 -15.553 1.00 0.29 C ATOM 1251 O LEU A 78 -25.409 -7.016 -14.506 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.741 -7.529 -15.663 1.00 0.30 C ATOM 1253 CG LEU A 78 -21.847 -8.625 -16.244 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -20.679 -8.901 -15.298 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.642 -9.910 -16.513 1.00 0.30 C ATOM 0 H LEU A 78 -23.755 -5.298 -16.374 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.056 -8.083 -17.279 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.200 -6.583 -15.662 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.973 -7.764 -14.624 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.455 -8.276 -17.199 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -20.047 -9.683 -15.719 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -20.093 -7.991 -15.168 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -21.063 -9.226 -14.331 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -21.978 -10.669 -16.926 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.073 -10.273 -15.580 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.441 -9.701 -17.225 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.093 -8.598 -15.965 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.287 -8.985 -15.208 1.00 0.40 C ATOM 1269 C ARG A 79 -27.049 -10.339 -14.538 1.00 0.45 C ATOM 1270 O ARG A 79 -26.949 -11.365 -15.215 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.495 -9.060 -16.154 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.806 -9.276 -15.397 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.988 -9.415 -16.368 1.00 1.51 C ATOM 1274 NE ARG A 79 -32.170 -8.717 -15.858 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.799 -9.104 -14.752 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -33.192 -10.364 -14.624 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -33.007 -8.233 -13.776 1.00 2.99 N ATOM 0 H ARG A 79 -25.966 -9.121 -16.831 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.491 -8.241 -14.438 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.559 -8.139 -16.733 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.349 -9.874 -16.864 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.730 -10.172 -14.781 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.982 -8.438 -14.722 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.713 -9.009 -17.342 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.220 -10.470 -16.516 1.00 1.51 H new ATOM 0 HE ARG A 79 -32.523 -7.907 -16.368 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -33.012 -11.033 -15.372 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -33.675 -10.664 -13.777 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -32.685 -7.270 -13.875 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.489 -8.525 -12.926 1.00 2.99 H new ATOM 1291 N LEU A 80 -26.961 -10.332 -13.209 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.736 -11.553 -12.428 1.00 0.68 C ATOM 1293 C LEU A 80 -28.077 -12.194 -12.067 1.00 0.84 C ATOM 1294 O LEU A 80 -29.044 -11.494 -11.735 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.951 -11.235 -11.143 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.745 -10.322 -11.396 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -23.999 -10.053 -10.088 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.796 -10.935 -12.427 1.00 1.26 C ATOM 0 H LEU A 80 -27.043 -9.487 -12.644 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.153 -12.248 -13.032 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.617 -10.759 -10.424 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -25.608 -12.166 -10.692 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.116 -9.378 -11.794 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.145 -9.404 -10.283 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -24.670 -9.567 -9.380 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -23.649 -10.996 -9.668 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.950 -10.266 -12.586 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.434 -11.896 -12.062 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.326 -11.080 -13.368 1.00 1.26 H new ATOM 1310 N SER A 81 -28.119 -13.528 -12.133 1.00 1.01 N ATOM 1311 CA SER A 81 -29.327 -14.315 -11.826 1.00 1.23 C ATOM 1312 C SER A 81 -29.811 -14.098 -10.385 1.00 1.40 C ATOM 1313 O SER A 81 -30.985 -14.305 -10.083 1.00 1.92 O ATOM 1314 CB SER A 81 -29.040 -15.802 -12.053 1.00 1.52 C ATOM 1315 OG SER A 81 -27.845 -16.197 -11.388 1.00 2.18 O ATOM 0 H SER A 81 -27.317 -14.098 -12.401 1.00 1.01 H new ATOM 0 HA SER A 81 -30.120 -13.976 -12.493 1.00 1.23 H new ATOM 0 HB2 SER A 81 -29.877 -16.398 -11.689 1.00 1.52 H new ATOM 0 HB3 SER A 81 -28.949 -16.000 -13.121 1.00 1.52 H new ATOM 0 HG SER A 81 -27.302 -16.746 -11.991 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.898 -13.682 -9.503 1.00 1.33 N ATOM 1322 CA ASP A 82 -29.221 -13.435 -8.087 1.00 1.76 C ATOM 1323 C ASP A 82 -30.054 -12.152 -7.913 1.00 1.31 C ATOM 1324 O ASP A 82 -30.429 -11.797 -6.797 1.00 1.74 O ATOM 1325 CB ASP A 82 -27.924 -13.348 -7.259 1.00 2.76 C ATOM 1326 CG ASP A 82 -28.150 -13.854 -5.834 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -28.391 -15.066 -5.657 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -28.100 -13.035 -4.892 1.00 3.98 O ATOM 0 H ASP A 82 -27.922 -13.507 -9.743 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.822 -14.270 -7.727 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -27.142 -13.937 -7.738 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -27.574 -12.316 -7.231 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.348 -11.472 -9.026 1.00 1.09 N ATOM 1334 CA GLY A 83 -31.146 -10.244 -9.018 1.00 1.53 C ATOM 1335 C GLY A 83 -30.266 -9.010 -8.843 1.00 1.31 C ATOM 1336 O GLY A 83 -30.452 -8.238 -7.880 1.00 1.88 O ATOM 0 H GLY A 83 -30.040 -11.758 -9.955 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.705 -10.165 -9.951 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.877 -10.289 -8.211 1.00 1.53 H new ATOM 1340 N ASN A 84 -29.310 -8.823 -9.784 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.393 -7.672 -9.745 1.00 0.71 C ATOM 1342 C ASN A 84 -28.074 -7.214 -11.168 1.00 0.62 C ATOM 1343 O ASN A 84 -27.947 -8.041 -12.073 1.00 0.65 O ATOM 1344 CB ASN A 84 -27.081 -8.042 -9.027 1.00 0.84 C ATOM 1345 CG ASN A 84 -27.256 -8.106 -7.508 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -27.071 -7.112 -6.808 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -27.594 -9.280 -6.997 1.00 1.32 N ATOM 0 H ASN A 84 -29.159 -9.453 -10.572 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.881 -6.866 -9.197 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.728 -9.006 -9.392 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.314 -7.308 -9.273 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -27.710 -9.383 -5.989 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -27.739 -10.081 -7.612 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.938 -5.899 -11.355 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.627 -5.302 -12.662 1.00 0.55 C ATOM 1356 C GLU A 85 -26.569 -4.201 -12.494 1.00 0.47 C ATOM 1357 O GLU A 85 -26.801 -3.212 -11.784 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.904 -4.724 -13.286 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.778 -5.833 -13.880 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.042 -5.252 -14.499 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.936 -4.310 -15.306 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -32.146 -5.744 -14.187 1.00 1.39 O ATOM 0 H GLU A 85 -28.040 -5.215 -10.605 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.230 -6.071 -13.324 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.468 -4.179 -12.529 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.640 -4.008 -14.065 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.215 -6.380 -14.637 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.044 -6.548 -13.102 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.402 -4.375 -13.132 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.306 -3.395 -13.033 1.00 0.31 C ATOM 1371 C TYR A 86 -23.674 -3.091 -14.399 1.00 0.29 C ATOM 1372 O TYR A 86 -23.255 -4.004 -15.113 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.189 -3.923 -12.117 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.647 -4.403 -10.762 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -24.027 -3.487 -9.797 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.717 -5.758 -10.490 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -24.478 -3.924 -8.566 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -24.161 -6.195 -9.257 1.00 0.62 C ATOM 1379 CZ TYR A 86 -24.425 -5.289 -8.264 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.998 -5.713 -7.077 1.00 0.77 O ATOM 0 H TYR A 86 -25.192 -5.181 -13.720 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.748 -2.485 -12.627 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.682 -4.744 -12.624 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.452 -3.132 -11.975 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.971 -2.429 -10.006 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.424 -6.475 -11.243 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -24.867 -3.220 -7.845 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -24.300 -7.251 -9.076 1.00 0.62 H new ATOM 0 HH TYR A 86 -25.872 -6.117 -7.261 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.567 -1.797 -14.722 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.945 -1.316 -15.937 1.00 0.23 C ATOM 1392 C LEU A 87 -21.432 -1.302 -15.763 1.00 0.22 C ATOM 1393 O LEU A 87 -20.916 -0.765 -14.781 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.441 0.101 -16.222 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.642 0.037 -17.120 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.812 -0.571 -16.386 1.00 0.38 C ATOM 1397 CD2 LEU A 87 -24.982 1.411 -17.697 1.00 0.35 C ATOM 0 H LEU A 87 -23.921 -1.049 -14.126 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.204 -1.971 -16.769 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.697 0.603 -15.289 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -22.652 0.687 -16.693 1.00 0.26 H new ATOM 0 HG LEU A 87 -24.405 -0.608 -17.966 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.676 -0.611 -17.049 1.00 0.38 H new ATOM 0 HD12 LEU A 87 -25.555 -1.580 -16.063 1.00 0.38 H new ATOM 0 HD13 LEU A 87 -26.051 0.038 -15.515 1.00 0.38 H new ATOM 0 HD21 LEU A 87 -25.856 1.328 -18.342 1.00 0.35 H new ATOM 0 HD22 LEU A 87 -25.196 2.104 -16.884 1.00 0.35 H new ATOM 0 HD23 LEU A 87 -24.137 1.781 -18.277 1.00 0.35 H new ATOM 1409 N PHE A 88 -20.738 -1.897 -16.717 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.273 -1.978 -16.695 1.00 0.19 C ATOM 1411 C PHE A 88 -18.680 -1.277 -17.915 1.00 0.20 C ATOM 1412 O PHE A 88 -19.111 -1.511 -19.043 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.837 -3.442 -16.661 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.910 -4.037 -15.275 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.911 -3.777 -14.354 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.981 -4.842 -14.924 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.980 -4.324 -13.087 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.050 -5.389 -13.659 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.040 -5.124 -12.735 1.00 0.22 C ATOM 0 H PHE A 88 -21.165 -2.339 -17.531 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.906 -1.476 -15.800 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.468 -4.021 -17.335 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.816 -3.522 -17.034 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.077 -3.146 -14.625 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.763 -5.042 -15.641 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.198 -4.122 -12.371 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.883 -6.020 -13.386 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.091 -5.548 -11.743 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.692 -0.415 -17.676 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.021 0.345 -18.740 1.00 0.26 C ATOM 1431 C GLN A 89 -15.602 -0.178 -18.957 1.00 0.22 C ATOM 1432 O GLN A 89 -14.786 -0.185 -18.028 1.00 0.25 O ATOM 1433 CB GLN A 89 -16.967 1.828 -18.355 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.667 2.733 -19.558 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.932 4.195 -19.195 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.042 5.040 -19.285 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -18.154 4.491 -18.776 1.00 1.63 N ATOM 0 H GLN A 89 -17.332 -0.221 -16.742 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.585 0.225 -19.665 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -17.919 2.121 -17.912 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.202 1.975 -17.593 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.629 2.609 -19.866 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.288 2.442 -20.405 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -18.863 3.761 -18.716 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -18.385 5.449 -18.514 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.311 -0.589 -20.188 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.987 -1.098 -20.561 1.00 0.24 C ATOM 1448 C ALA A 90 -13.125 0.038 -21.121 1.00 0.27 C ATOM 1449 O ALA A 90 -13.646 1.069 -21.563 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.136 -2.209 -21.602 1.00 0.29 C ATOM 0 H ALA A 90 -15.982 -0.580 -20.956 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.498 -1.503 -19.675 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.150 -2.585 -21.877 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.731 -3.021 -21.184 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.633 -1.813 -22.488 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.806 -0.152 -21.106 1.00 0.35 N ATOM 1457 CA LYS A 91 -10.872 0.864 -21.616 1.00 0.44 C ATOM 1458 C LYS A 91 -10.781 0.790 -23.145 1.00 0.49 C ATOM 1459 O LYS A 91 -10.667 1.814 -23.822 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.486 0.693 -20.979 1.00 0.65 C ATOM 1461 CG LYS A 91 -8.930 -0.723 -21.178 1.00 1.26 C ATOM 1462 CD LYS A 91 -7.995 -1.161 -20.046 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.633 -1.057 -18.646 1.00 1.86 C ATOM 1464 NZ LYS A 91 -9.959 -1.736 -18.562 1.00 2.29 N ATOM 0 H LYS A 91 -11.357 -0.995 -20.749 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.251 1.849 -21.343 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -8.796 1.417 -21.413 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.548 0.911 -19.913 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.759 -1.427 -21.250 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.391 -0.767 -22.125 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -7.685 -2.191 -20.220 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -7.094 -0.548 -20.072 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -7.958 -1.496 -17.911 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -8.751 -0.006 -18.383 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -10.192 -1.920 -17.565 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -10.689 -1.125 -18.982 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -9.921 -2.637 -19.081 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.851 -0.427 -23.678 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.796 -0.666 -25.128 1.00 0.66 C ATOM 1480 C ASP A 92 -11.968 -1.560 -25.541 1.00 0.59 C ATOM 1481 O ASP A 92 -12.440 -2.381 -24.747 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.454 -1.323 -25.504 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.154 -1.122 -26.985 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -8.640 -0.048 -27.355 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -9.451 -2.031 -27.785 1.00 2.01 O ATOM 0 H ASP A 92 -10.947 -1.277 -23.123 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.872 0.284 -25.657 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.652 -0.894 -24.904 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.488 -2.388 -25.276 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.437 -1.405 -26.785 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.562 -2.206 -27.303 1.00 0.63 C ATOM 1492 C ASP A 93 -13.186 -3.695 -27.360 1.00 0.49 C ATOM 1493 O ASP A 93 -14.026 -4.569 -27.120 1.00 0.54 O ATOM 1494 CB ASP A 93 -14.043 -1.664 -28.676 1.00 0.83 C ATOM 1495 CG ASP A 93 -13.300 -2.280 -29.862 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -12.223 -1.766 -30.225 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -13.801 -3.269 -30.434 1.00 2.21 O ATOM 0 H ASP A 93 -12.058 -0.734 -27.454 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.403 -2.114 -26.616 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -15.110 -1.860 -28.783 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -13.914 -0.582 -28.697 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.905 -3.977 -27.632 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.401 -5.353 -27.669 1.00 0.41 C ATOM 1504 C GLU A 94 -11.486 -5.964 -26.268 1.00 0.36 C ATOM 1505 O GLU A 94 -11.805 -7.143 -26.105 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.953 -5.375 -28.155 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.849 -4.924 -29.613 1.00 1.21 C ATOM 1508 CD GLU A 94 -8.464 -5.237 -30.161 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.481 -5.145 -29.395 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -8.353 -5.588 -31.352 1.00 2.59 O ATOM 0 H GLU A 94 -11.199 -3.268 -27.830 1.00 0.41 H new ATOM 0 HA GLU A 94 -12.010 -5.936 -28.360 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.346 -4.723 -27.526 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.549 -6.382 -28.054 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -10.608 -5.427 -30.212 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -10.044 -3.854 -29.685 1.00 1.21 H new ATOM 1517 N GLU A 95 -11.233 -5.131 -25.252 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.308 -5.556 -23.853 1.00 0.29 C ATOM 1519 C GLU A 95 -12.760 -5.878 -23.488 1.00 0.24 C ATOM 1520 O GLU A 95 -13.026 -6.866 -22.808 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.761 -4.463 -22.925 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.285 -5.071 -21.600 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.464 -4.110 -20.431 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -11.095 -3.047 -20.599 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -9.976 -4.423 -19.329 1.00 1.30 O ATOM 0 H GLU A 95 -10.973 -4.153 -25.376 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.698 -6.450 -23.726 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.935 -3.945 -23.412 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.535 -3.720 -22.733 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.840 -5.988 -21.403 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.234 -5.346 -21.685 1.00 0.42 H new ATOM 1532 N MET A 96 -13.694 -5.049 -23.974 1.00 0.24 N ATOM 1533 CA MET A 96 -15.134 -5.244 -23.731 1.00 0.22 C ATOM 1534 C MET A 96 -15.566 -6.643 -24.196 1.00 0.22 C ATOM 1535 O MET A 96 -16.246 -7.369 -23.471 1.00 0.23 O ATOM 1536 CB MET A 96 -15.937 -4.169 -24.477 1.00 0.26 C ATOM 1537 CG MET A 96 -17.426 -4.203 -24.113 1.00 0.39 C ATOM 1538 SD MET A 96 -18.498 -3.860 -25.524 1.00 0.94 S ATOM 1539 CE MET A 96 -18.132 -5.249 -26.611 1.00 0.77 C ATOM 0 H MET A 96 -13.478 -4.230 -24.542 1.00 0.24 H new ATOM 0 HA MET A 96 -15.328 -5.156 -22.662 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.530 -3.185 -24.243 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.824 -4.313 -25.551 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.673 -5.183 -23.704 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.620 -3.472 -23.328 1.00 0.39 H new ATOM 0 HE1 MET A 96 -17.518 -4.907 -27.444 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.593 -6.015 -26.054 1.00 0.77 H new ATOM 0 HE3 MET A 96 -19.063 -5.666 -26.994 1.00 0.77 H new ATOM 1549 N ASN A 97 -15.135 -7.018 -25.405 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.443 -8.338 -25.978 1.00 0.28 C ATOM 1551 C ASN A 97 -14.815 -9.445 -25.114 1.00 0.26 C ATOM 1552 O ASN A 97 -15.468 -10.440 -24.800 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.919 -8.405 -27.428 1.00 0.35 C ATOM 1554 CG ASN A 97 -14.940 -9.838 -27.984 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -13.906 -10.507 -28.030 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -16.106 -10.310 -28.399 1.00 1.24 N ATOM 0 H ASN A 97 -14.569 -6.424 -26.011 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.522 -8.489 -25.991 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -15.527 -7.761 -28.063 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.901 -8.018 -27.463 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -16.169 -11.257 -28.772 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -16.941 -9.726 -28.345 1.00 1.24 H new ATOM 1563 N THR A 98 -13.549 -9.254 -24.726 1.00 0.25 N ATOM 1564 CA THR A 98 -12.827 -10.226 -23.889 1.00 0.27 C ATOM 1565 C THR A 98 -13.527 -10.402 -22.526 1.00 0.23 C ATOM 1566 O THR A 98 -13.642 -11.520 -22.022 1.00 0.27 O ATOM 1567 CB THR A 98 -11.359 -9.789 -23.696 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.820 -9.304 -24.924 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.498 -10.954 -23.193 1.00 0.39 C ATOM 0 H THR A 98 -12.999 -8.433 -24.978 1.00 0.25 H new ATOM 0 HA THR A 98 -12.835 -11.189 -24.400 1.00 0.27 H new ATOM 0 HB THR A 98 -11.346 -8.993 -22.951 1.00 0.31 H new ATOM 0 HG1 THR A 98 -11.058 -8.360 -25.036 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.469 -10.618 -23.066 1.00 0.39 H new ATOM 0 HG22 THR A 98 -10.885 -11.306 -22.237 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.527 -11.767 -23.918 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.009 -9.296 -21.943 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.709 -9.335 -20.649 1.00 0.20 C ATOM 1579 C TRP A 99 -16.043 -10.081 -20.781 1.00 0.21 C ATOM 1580 O TRP A 99 -16.332 -10.984 -19.998 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.954 -7.905 -20.126 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.798 -7.342 -19.342 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.058 -6.239 -19.659 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.248 -7.853 -18.103 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.111 -6.049 -18.694 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.193 -7.008 -17.738 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.548 -8.934 -17.275 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.444 -7.214 -16.593 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.800 -9.147 -16.122 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.757 -8.294 -15.786 1.00 0.29 C ATOM 0 H TRP A 99 -13.928 -8.363 -22.346 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.080 -9.867 -19.936 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.162 -7.249 -20.971 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.843 -7.905 -19.496 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.199 -5.618 -20.531 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.432 -5.288 -18.692 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.357 -9.603 -17.528 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.634 -6.548 -16.335 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.033 -9.985 -15.481 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.185 -8.475 -14.888 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.847 -9.710 -21.784 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.148 -10.354 -22.024 1.00 0.24 C ATOM 1603 C ILE A 100 -17.962 -11.856 -22.303 1.00 0.28 C ATOM 1604 O ILE A 100 -18.735 -12.686 -21.817 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.871 -9.658 -23.191 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.256 -8.222 -22.801 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.120 -10.437 -23.611 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.756 -7.420 -24.002 1.00 0.29 C ATOM 0 H ILE A 100 -16.621 -8.966 -22.445 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.764 -10.255 -21.130 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.186 -9.627 -24.038 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.031 -8.249 -22.035 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.393 -7.721 -22.364 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.610 -9.921 -24.437 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.834 -11.440 -23.928 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.807 -10.505 -22.768 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.017 -6.411 -23.683 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.972 -7.370 -24.758 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.636 -7.906 -24.424 1.00 0.29 H new ATOM 1620 N GLN A 101 -16.918 -12.198 -23.063 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.610 -13.597 -23.383 1.00 0.35 C ATOM 1622 C GLN A 101 -16.174 -14.349 -22.118 1.00 0.36 C ATOM 1623 O GLN A 101 -16.609 -15.476 -21.874 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.508 -13.668 -24.449 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.042 -13.284 -25.835 1.00 0.48 C ATOM 1626 CD GLN A 101 -16.773 -14.460 -26.480 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -17.246 -15.367 -25.795 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -16.868 -14.451 -27.797 1.00 1.76 N ATOM 0 H GLN A 101 -16.269 -11.524 -23.470 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.509 -14.070 -23.778 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.691 -13.000 -24.175 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.097 -14.677 -24.483 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.719 -12.434 -25.746 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.216 -12.969 -26.473 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -16.464 -13.683 -28.332 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -17.346 -15.213 -28.279 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.332 -13.704 -21.303 1.00 0.32 N ATOM 1638 CA ALA A 102 -14.847 -14.289 -20.046 1.00 0.37 C ATOM 1639 C ALA A 102 -16.007 -14.478 -19.060 1.00 0.38 C ATOM 1640 O ALA A 102 -16.068 -15.475 -18.350 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.774 -13.386 -19.428 1.00 0.38 C ATOM 0 H ALA A 102 -14.970 -12.770 -21.493 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.411 -15.265 -20.261 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.420 -13.827 -18.496 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -12.940 -13.285 -20.122 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.198 -12.403 -19.226 1.00 0.38 H new ATOM 1647 N ILE A 103 -16.929 -13.513 -19.036 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.102 -13.557 -18.151 1.00 0.38 C ATOM 1649 C ILE A 103 -19.067 -14.676 -18.581 1.00 0.47 C ATOM 1650 O ILE A 103 -19.694 -15.325 -17.738 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.797 -12.185 -18.167 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.948 -11.163 -17.396 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.206 -12.253 -17.574 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.149 -9.736 -17.911 1.00 0.35 C ATOM 0 H ILE A 103 -16.887 -12.682 -19.625 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.781 -13.779 -17.133 1.00 0.38 H new ATOM 0 HB ILE A 103 -18.894 -11.872 -19.207 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.205 -11.205 -16.338 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.895 -11.432 -17.479 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.662 -11.263 -17.604 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.812 -12.949 -18.154 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.150 -12.595 -16.541 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.528 -9.050 -17.335 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.866 -9.685 -18.962 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.196 -9.454 -17.803 1.00 0.35 H new ATOM 1666 N SER A 104 -19.167 -14.909 -19.894 1.00 0.53 N ATOM 1667 CA SER A 104 -20.036 -15.961 -20.440 1.00 0.66 C ATOM 1668 C SER A 104 -19.457 -17.346 -20.119 1.00 0.72 C ATOM 1669 O SER A 104 -20.193 -18.276 -19.780 1.00 0.89 O ATOM 1670 CB SER A 104 -20.184 -15.790 -21.957 1.00 0.81 C ATOM 1671 OG SER A 104 -20.676 -14.490 -22.277 1.00 1.05 O ATOM 0 H SER A 104 -18.656 -14.382 -20.602 1.00 0.53 H new ATOM 0 HA SER A 104 -21.020 -15.876 -19.979 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.220 -15.948 -22.441 1.00 0.81 H new ATOM 0 HB3 SER A 104 -20.864 -16.547 -22.348 1.00 0.81 H new ATOM 0 HG SER A 104 -19.931 -13.854 -22.296 1.00 1.05 H new ATOM 1677 N SER A 105 -18.129 -17.461 -20.216 1.00 0.80 N ATOM 1678 CA SER A 105 -17.417 -18.713 -19.932 1.00 1.13 C ATOM 1679 C SER A 105 -17.356 -18.966 -18.418 1.00 1.23 C ATOM 1680 O SER A 105 -17.623 -20.078 -17.955 1.00 1.61 O ATOM 1681 CB SER A 105 -16.000 -18.640 -20.519 1.00 1.48 C ATOM 1682 OG SER A 105 -16.033 -18.159 -21.861 1.00 1.63 O ATOM 0 H SER A 105 -17.518 -16.692 -20.493 1.00 0.80 H new ATOM 0 HA SER A 105 -17.955 -19.541 -20.393 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.381 -17.983 -19.907 1.00 1.48 H new ATOM 0 HB3 SER A 105 -15.539 -19.627 -20.493 1.00 1.48 H new ATOM 0 HG SER A 105 -16.177 -17.190 -21.858 1.00 1.63 H new ATOM 1688 N ALA A 106 -17.012 -17.915 -17.662 1.00 1.29 N ATOM 1689 CA ALA A 106 -16.910 -17.970 -16.197 1.00 1.59 C ATOM 1690 C ALA A 106 -15.784 -18.907 -15.753 1.00 2.40 C ATOM 1691 O ALA A 106 -14.745 -18.977 -16.446 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.251 -18.396 -15.587 1.00 1.90 C ATOM 1693 OXT ALA A 106 -15.931 -19.573 -14.709 1.00 3.05 O ATOM 0 H ALA A 106 -16.795 -16.997 -18.051 1.00 1.29 H new ATOM 0 HA ALA A 106 -16.666 -16.971 -15.835 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.162 -18.433 -14.501 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -19.021 -17.676 -15.863 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -18.524 -19.382 -15.962 1.00 1.90 H new