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 97 ASN : amide:sc= 0 X(o=-0.0091,f=-0.31) USER MOD Set 1.2: A 101 GLN : amide:sc=-0.00915 K(o=-0.0091,f=-1.4!) USER MOD Set 2.1: A 84 ASN : amide:sc= 0.393 K(o=0.82,f=0) USER MOD Set 2.2: A 86 TYR OH : rot 97:sc= 0.423 USER MOD Set 3.1: A 24 HIS : no HE2:sc= 1.05 K(o=2.4,f=-6.7!) USER MOD Set 3.2: A 50 TYR OH : rot -169:sc= 1.3 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= 1.21 (180deg=-0.542) USER MOD Single : A 9 HIS :FLIP no HD1:sc= 0.348 F(o=-2!,f=0.35) USER MOD Single : A 22 SER OG : rot 26:sc= 0.258 USER MOD Single : A 25 ASN : amide:sc=-0.00195 K(o=-0.0019,f=-0.94) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -63:sc= 0.299 USER MOD Single : A 31 ASN : amide:sc= -0.342 K(o=-0.34,f=-3.1!) USER MOD Single : A 32 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.9!) USER MOD Single : A 33 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.52) USER MOD Single : A 35 MET CE :methyl -151:sc= -0.418 (180deg=-2.72!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -0.0126 (180deg=-0.247) USER MOD Single : A 42 LYS NZ :NH3+ 154:sc= -0.126 (180deg=-0.63) USER MOD Single : A 43 SER OG : rot 150:sc= -0.214 USER MOD Single : A 46 SER OG : rot 80:sc= 0.473 USER MOD Single : A 51 HIS : no HD1:sc= -0.034 X(o=-0.034,f=-0.0076) USER MOD Single : A 52 SER OG : rot 180:sc= 0.07 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= -0.0459 (180deg=-0.311) USER MOD Single : A 63 CYS SG : rot 160:sc= -0.882 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -107:sc= 0.902 (180deg=-1.19) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-0.89!,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 168:sc=-0.00137 (180deg=-0.106) USER MOD Single : A 96 MET CE :methyl -165:sc=-0.00175 (180deg=-0.12) USER MOD Single : A 98 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 104 SER OG : rot 58:sc= 1.26 USER MOD Single : A 105 SER OG : rot 68:sc= 0.983 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.100 -10.919 -15.120 1.00 0.51 N ATOM 21 CA GLU A 2 -8.269 -9.846 -14.133 1.00 0.37 C ATOM 22 C GLU A 2 -7.885 -8.506 -14.763 1.00 0.34 C ATOM 23 O GLU A 2 -7.123 -8.463 -15.734 1.00 0.48 O ATOM 24 CB GLU A 2 -7.386 -10.094 -12.897 1.00 0.53 C ATOM 25 CG GLU A 2 -7.554 -11.510 -12.325 1.00 0.96 C ATOM 26 CD GLU A 2 -6.450 -12.435 -12.822 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.265 -12.079 -12.684 1.00 2.09 O ATOM 28 OE2 GLU A 2 -6.763 -13.524 -13.344 1.00 2.16 O ATOM 0 HA GLU A 2 -9.313 -9.828 -13.821 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.341 -9.936 -13.164 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -7.632 -9.363 -12.127 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.537 -11.470 -11.236 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.526 -11.910 -12.614 1.00 0.96 H new ATOM 35 N GLY A 3 -8.399 -7.414 -14.212 1.00 0.25 N ATOM 36 CA GLY A 3 -8.091 -6.078 -14.725 1.00 0.28 C ATOM 37 C GLY A 3 -9.028 -5.026 -14.141 1.00 0.22 C ATOM 38 O GLY A 3 -9.977 -5.348 -13.417 1.00 0.22 O ATOM 0 H GLY A 3 -9.030 -7.423 -13.411 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.059 -5.823 -14.483 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.173 -6.077 -15.812 1.00 0.28 H new ATOM 42 N PHE A 4 -8.754 -3.760 -14.463 1.00 0.24 N ATOM 43 CA PHE A 4 -9.561 -2.633 -13.986 1.00 0.21 C ATOM 44 C PHE A 4 -10.799 -2.459 -14.859 1.00 0.22 C ATOM 45 O PHE A 4 -10.767 -2.720 -16.065 1.00 0.27 O ATOM 46 CB PHE A 4 -8.735 -1.340 -13.989 1.00 0.23 C ATOM 47 CG PHE A 4 -7.884 -1.191 -12.750 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.479 -0.870 -11.542 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.512 -1.377 -12.815 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.707 -0.736 -10.405 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.740 -1.242 -11.675 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.338 -0.920 -10.469 1.00 0.41 C ATOM 0 H PHE A 4 -7.972 -3.487 -15.058 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.875 -2.846 -12.964 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.093 -1.325 -14.870 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.406 -0.485 -14.069 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.548 -0.724 -11.489 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.045 -1.627 -13.756 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.174 -0.487 -9.463 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.671 -1.388 -11.726 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.736 -0.813 -9.579 1.00 0.41 H new ATOM 62 N LEU A 5 -11.884 -2.022 -14.235 1.00 0.19 N ATOM 63 CA LEU A 5 -13.158 -1.805 -14.922 1.00 0.21 C ATOM 64 C LEU A 5 -13.966 -0.728 -14.192 1.00 0.20 C ATOM 65 O LEU A 5 -13.944 -0.653 -12.960 1.00 0.21 O ATOM 66 CB LEU A 5 -13.979 -3.114 -14.945 1.00 0.23 C ATOM 67 CG LEU A 5 -13.894 -3.856 -16.285 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.636 -5.191 -16.190 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.457 -3.007 -17.427 1.00 0.31 C ATOM 0 H LEU A 5 -11.910 -1.807 -13.238 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.951 -1.485 -15.943 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.626 -3.771 -14.150 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.023 -2.885 -14.729 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.844 -4.048 -16.504 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.571 -5.712 -17.145 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.183 -5.804 -15.411 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.683 -5.009 -15.946 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.382 -3.561 -18.363 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.503 -2.774 -17.226 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.888 -2.081 -17.507 1.00 0.31 H new ATOM 81 N ASN A 6 -14.727 0.057 -14.952 1.00 0.22 N ATOM 82 CA ASN A 6 -15.606 1.086 -14.379 1.00 0.23 C ATOM 83 C ASN A 6 -16.921 0.392 -14.038 1.00 0.22 C ATOM 84 O ASN A 6 -17.488 -0.282 -14.894 1.00 0.26 O ATOM 85 CB ASN A 6 -15.818 2.238 -15.386 1.00 0.28 C ATOM 86 CG ASN A 6 -15.400 3.584 -14.791 1.00 0.72 C ATOM 87 OD1 ASN A 6 -15.925 4.014 -13.765 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.463 4.259 -15.440 1.00 1.24 N ATOM 0 H ASN A 6 -14.756 0.003 -15.970 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.168 1.533 -13.486 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.241 2.043 -16.290 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.867 2.278 -15.679 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -14.155 5.167 -15.092 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -14.050 3.871 -16.288 1.00 1.24 H new ATOM 95 N ARG A 7 -17.365 0.496 -12.788 1.00 0.23 N ATOM 96 CA ARG A 7 -18.580 -0.188 -12.333 1.00 0.24 C ATOM 97 C ARG A 7 -19.633 0.791 -11.815 1.00 0.25 C ATOM 98 O ARG A 7 -19.368 1.597 -10.918 1.00 0.32 O ATOM 99 CB ARG A 7 -18.205 -1.179 -11.224 1.00 0.28 C ATOM 100 CG ARG A 7 -19.413 -2.000 -10.756 1.00 0.34 C ATOM 101 CD ARG A 7 -18.980 -3.173 -9.870 1.00 0.54 C ATOM 102 NE ARG A 7 -20.073 -3.591 -8.985 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.917 -3.687 -7.668 1.00 1.16 C ATOM 104 NH1 ARG A 7 -19.418 -4.801 -7.146 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.238 -2.666 -6.888 1.00 1.71 N ATOM 0 H ARG A 7 -16.902 1.049 -12.067 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.015 -0.710 -13.185 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.428 -1.852 -11.586 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.786 -0.635 -10.377 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.099 -1.358 -10.204 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.957 -2.377 -11.622 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -18.671 -4.011 -10.495 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.114 -2.884 -9.274 1.00 0.54 H new ATOM 0 HE ARG A 7 -20.981 -3.815 -9.393 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -19.157 -5.577 -7.754 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -19.296 -4.881 -6.137 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -20.605 -1.807 -7.298 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -20.119 -2.739 -5.878 1.00 1.71 H new ATOM 119 N LYS A 8 -20.844 0.669 -12.359 1.00 0.27 N ATOM 120 CA LYS A 8 -21.997 1.480 -11.956 1.00 0.29 C ATOM 121 C LYS A 8 -23.109 0.534 -11.518 1.00 0.29 C ATOM 122 O LYS A 8 -23.505 -0.352 -12.276 1.00 0.38 O ATOM 123 CB LYS A 8 -22.482 2.352 -13.122 1.00 0.36 C ATOM 124 CG LYS A 8 -23.247 3.594 -12.638 1.00 0.37 C ATOM 125 CD LYS A 8 -24.646 3.671 -13.267 1.00 0.50 C ATOM 126 CE LYS A 8 -25.683 2.931 -12.413 1.00 0.62 C ATOM 127 NZ LYS A 8 -27.077 3.330 -12.755 1.00 1.02 N ATOM 0 H LYS A 8 -21.056 -0.001 -13.098 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.713 2.143 -11.138 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.626 2.665 -13.720 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -23.127 1.761 -13.772 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.336 3.568 -11.552 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.683 4.492 -12.891 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.941 4.715 -13.377 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.621 3.240 -14.268 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -25.569 1.856 -12.555 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.496 3.135 -11.359 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.708 3.104 -11.960 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -27.109 4.352 -12.942 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.388 2.813 -13.602 1.00 1.02 H new ATOM 141 N HIS A 9 -23.597 0.707 -10.298 1.00 0.43 N ATOM 142 CA HIS A 9 -24.655 -0.153 -9.755 1.00 0.52 C ATOM 143 C HIS A 9 -26.044 0.366 -10.131 1.00 0.58 C ATOM 144 O HIS A 9 -26.485 1.410 -9.652 1.00 0.73 O ATOM 145 CB HIS A 9 -24.513 -0.308 -8.225 1.00 0.68 C ATOM 146 CG HIS A 9 -24.184 0.956 -7.467 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.115 2.268 -7.836 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -23.838 0.949 -6.140 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -23.736 2.997 -6.725 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -23.578 2.161 -5.713 1.00 1.75 N flip ATOM 0 H HIS A 9 -23.280 1.436 -9.659 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.541 -1.140 -10.204 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.445 -0.714 -7.831 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.735 -1.044 -8.023 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -23.786 0.061 -5.527 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -23.593 4.067 -6.689 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -23.302 2.415 -4.765 1.00 1.75 H new ATOM 158 N GLU A 10 -26.731 -0.393 -10.992 1.00 0.60 N ATOM 159 CA GLU A 10 -28.090 -0.053 -11.442 1.00 0.73 C ATOM 160 C GLU A 10 -29.085 -0.406 -10.340 1.00 0.83 C ATOM 161 O GLU A 10 -30.019 0.340 -10.066 1.00 1.00 O ATOM 162 CB GLU A 10 -28.426 -0.825 -12.731 1.00 0.79 C ATOM 163 CG GLU A 10 -29.623 -0.218 -13.477 1.00 1.28 C ATOM 164 CD GLU A 10 -29.229 1.066 -14.200 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.031 1.403 -14.225 1.00 1.52 O ATOM 166 OE2 GLU A 10 -30.118 1.743 -14.749 1.00 1.72 O ATOM 0 H GLU A 10 -26.366 -1.255 -11.396 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.149 1.015 -11.653 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.556 -0.829 -13.387 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.643 -1.864 -12.484 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.010 -0.939 -14.197 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.427 -0.009 -12.771 1.00 1.28 H new ATOM 173 N TRP A 11 -28.844 -1.546 -9.702 1.00 0.82 N ATOM 174 CA TRP A 11 -29.659 -2.036 -8.601 1.00 0.96 C ATOM 175 C TRP A 11 -28.737 -2.786 -7.637 1.00 0.94 C ATOM 176 O TRP A 11 -28.131 -3.802 -8.005 1.00 0.84 O ATOM 177 CB TRP A 11 -30.790 -2.947 -9.118 1.00 1.08 C ATOM 178 CG TRP A 11 -31.688 -3.450 -8.022 1.00 1.26 C ATOM 179 CD1 TRP A 11 -32.781 -2.824 -7.497 1.00 1.54 C ATOM 180 CD2 TRP A 11 -31.544 -4.688 -7.298 1.00 1.26 C ATOM 181 NE1 TRP A 11 -33.307 -3.611 -6.511 1.00 1.67 N ATOM 182 CE2 TRP A 11 -32.579 -4.752 -6.362 1.00 1.51 C ATOM 183 CE3 TRP A 11 -30.637 -5.745 -7.360 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -32.729 -5.825 -5.500 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -30.778 -6.825 -6.496 1.00 1.35 C ATOM 186 CH2 TRP A 11 -31.815 -6.862 -5.574 1.00 1.53 C ATOM 0 H TRP A 11 -28.067 -2.162 -9.939 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.138 -1.204 -8.085 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.387 -2.398 -9.846 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.353 -3.798 -9.641 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.167 -1.865 -7.809 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.133 -3.375 -5.961 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -29.829 -5.725 -8.076 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -33.540 -5.852 -4.787 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -30.074 -7.643 -6.543 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -31.910 -7.707 -4.908 1.00 1.53 H new ATOM 353 N SER A 22 -23.111 5.804 -8.538 1.00 1.32 N ATOM 354 CA SER A 22 -21.713 6.200 -8.718 1.00 0.74 C ATOM 355 C SER A 22 -20.987 5.315 -9.729 1.00 0.68 C ATOM 356 O SER A 22 -21.257 4.118 -9.835 1.00 1.69 O ATOM 357 CB SER A 22 -20.981 6.114 -7.373 1.00 1.62 C ATOM 358 OG SER A 22 -21.756 6.687 -6.325 1.00 1.86 O ATOM 0 HA SER A 22 -21.711 7.221 -9.099 1.00 0.74 H new ATOM 0 HB2 SER A 22 -20.765 5.071 -7.140 1.00 1.62 H new ATOM 0 HB3 SER A 22 -20.023 6.630 -7.444 1.00 1.62 H new ATOM 0 HG SER A 22 -22.706 6.647 -6.561 1.00 1.86 H new ATOM 364 N TRP A 23 -20.019 5.915 -10.422 1.00 0.69 N ATOM 365 CA TRP A 23 -19.176 5.213 -11.391 1.00 0.41 C ATOM 366 C TRP A 23 -17.841 4.945 -10.701 1.00 0.40 C ATOM 367 O TRP A 23 -16.951 5.795 -10.682 1.00 0.55 O ATOM 368 CB TRP A 23 -18.992 6.065 -12.664 1.00 0.43 C ATOM 369 CG TRP A 23 -19.979 5.718 -13.742 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.055 6.456 -14.152 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.980 4.521 -14.543 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.698 5.778 -15.154 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.072 4.597 -15.417 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.157 3.402 -14.603 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.354 3.586 -16.326 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.432 2.389 -15.506 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.519 2.481 -16.363 1.00 0.31 C ATOM 0 H TRP A 23 -19.796 6.906 -10.327 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.633 4.276 -11.707 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.095 7.120 -12.408 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -17.980 5.927 -13.045 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.349 7.415 -13.752 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.532 6.112 -15.637 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.304 3.323 -13.946 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.204 3.659 -16.988 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.794 1.519 -15.544 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.716 1.684 -17.065 1.00 0.31 H new ATOM 388 N HIS A 24 -17.744 3.778 -10.076 1.00 0.37 N ATOM 389 CA HIS A 24 -16.570 3.380 -9.302 1.00 0.45 C ATOM 390 C HIS A 24 -15.565 2.587 -10.145 1.00 0.36 C ATOM 391 O HIS A 24 -15.917 1.595 -10.782 1.00 0.34 O ATOM 392 CB HIS A 24 -17.046 2.542 -8.096 1.00 0.61 C ATOM 393 CG HIS A 24 -16.112 2.586 -6.924 1.00 1.18 C ATOM 394 ND1 HIS A 24 -16.502 2.927 -5.654 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.790 2.322 -6.826 1.00 1.66 C ATOM 396 CE1 HIS A 24 -15.490 2.878 -4.824 1.00 2.98 C ATOM 397 NE2 HIS A 24 -14.419 2.509 -5.510 1.00 2.74 N ATOM 0 H HIS A 24 -18.482 3.074 -10.091 1.00 0.37 H new ATOM 0 HA HIS A 24 -16.051 4.276 -8.962 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -18.027 2.899 -7.781 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.170 1.506 -8.411 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -17.453 3.184 -5.391 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -14.140 2.019 -7.633 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -15.523 3.099 -3.767 1.00 2.98 H new ATOM 405 N ASN A 25 -14.304 3.015 -10.096 1.00 0.37 N ATOM 406 CA ASN A 25 -13.207 2.344 -10.803 1.00 0.35 C ATOM 407 C ASN A 25 -12.665 1.241 -9.886 1.00 0.34 C ATOM 408 O ASN A 25 -11.922 1.521 -8.941 1.00 0.55 O ATOM 409 CB ASN A 25 -12.104 3.367 -11.149 1.00 0.44 C ATOM 410 CG ASN A 25 -11.017 2.755 -12.040 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.263 1.811 -12.793 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.817 3.310 -11.964 1.00 1.49 N ATOM 0 H ASN A 25 -14.011 3.836 -9.566 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.557 1.906 -11.738 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.549 4.224 -11.655 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.653 3.739 -10.229 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.054 2.957 -12.542 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.655 4.090 -11.327 1.00 1.49 H new ATOM 419 N VAL A 26 -13.082 0.000 -10.138 1.00 0.22 N ATOM 420 CA VAL A 26 -12.687 -1.150 -9.313 1.00 0.21 C ATOM 421 C VAL A 26 -11.919 -2.195 -10.135 1.00 0.18 C ATOM 422 O VAL A 26 -11.994 -2.220 -11.366 1.00 0.23 O ATOM 423 CB VAL A 26 -13.961 -1.764 -8.687 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.821 -2.474 -9.739 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.623 -2.713 -7.539 1.00 0.31 C ATOM 0 H VAL A 26 -13.699 -0.239 -10.914 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.013 -0.814 -8.525 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.543 -0.938 -8.279 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.707 -2.893 -9.262 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -15.124 -1.759 -10.504 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.244 -3.276 -10.200 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.543 -3.125 -7.124 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -12.997 -3.525 -7.910 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.087 -2.168 -6.762 1.00 0.31 H new ATOM 435 N TYR A 27 -11.197 -3.066 -9.430 1.00 0.16 N ATOM 436 CA TYR A 27 -10.419 -4.144 -10.044 1.00 0.16 C ATOM 437 C TYR A 27 -11.241 -5.431 -9.997 1.00 0.19 C ATOM 438 O TYR A 27 -11.571 -5.921 -8.913 1.00 0.34 O ATOM 439 CB TYR A 27 -9.099 -4.321 -9.287 1.00 0.17 C ATOM 440 CG TYR A 27 -8.092 -5.175 -10.023 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.251 -4.601 -10.961 1.00 0.28 C ATOM 442 CD2 TYR A 27 -8.006 -6.533 -9.761 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.326 -5.383 -11.633 1.00 0.33 C ATOM 444 CE2 TYR A 27 -7.082 -7.310 -10.432 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.245 -6.735 -11.365 1.00 0.29 C ATOM 446 OH TYR A 27 -5.328 -7.515 -12.032 1.00 0.37 O ATOM 0 H TYR A 27 -11.135 -3.044 -8.412 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.191 -3.900 -11.082 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.663 -3.340 -9.099 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.304 -4.771 -8.315 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.316 -3.543 -11.169 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.662 -6.984 -9.031 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.670 -4.936 -12.365 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -7.015 -8.368 -10.226 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.402 -8.442 -11.724 1.00 0.37 H new ATOM 456 N CYS A 28 -11.591 -5.959 -11.167 1.00 0.16 N ATOM 457 CA CYS A 28 -12.403 -7.177 -11.273 1.00 0.19 C ATOM 458 C CYS A 28 -11.533 -8.411 -11.532 1.00 0.19 C ATOM 459 O CYS A 28 -10.727 -8.430 -12.463 1.00 0.23 O ATOM 460 CB CYS A 28 -13.422 -7.010 -12.404 1.00 0.23 C ATOM 461 SG CYS A 28 -14.545 -5.631 -12.118 1.00 0.34 S ATOM 0 H CYS A 28 -11.323 -5.560 -12.067 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.920 -7.328 -10.325 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.894 -6.856 -13.345 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -13.999 -7.929 -12.509 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.248 -5.858 -11.048 1.00 0.34 H new ATOM 467 N VAL A 29 -11.725 -9.441 -10.705 1.00 0.21 N ATOM 468 CA VAL A 29 -10.998 -10.712 -10.818 1.00 0.24 C ATOM 469 C VAL A 29 -12.012 -11.828 -11.072 1.00 0.26 C ATOM 470 O VAL A 29 -12.875 -12.082 -10.230 1.00 0.38 O ATOM 471 CB VAL A 29 -10.209 -10.987 -9.521 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.563 -12.380 -9.543 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.140 -9.916 -9.296 1.00 0.33 C ATOM 0 H VAL A 29 -12.392 -9.419 -9.934 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.288 -10.665 -11.643 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.919 -10.953 -8.695 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -9.015 -12.542 -8.615 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.339 -13.139 -9.643 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.876 -12.449 -10.387 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.597 -10.131 -8.376 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.445 -9.914 -10.135 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.615 -8.938 -9.216 1.00 0.33 H new ATOM 483 N ILE A 30 -11.926 -12.484 -12.228 1.00 0.28 N ATOM 484 CA ILE A 30 -12.860 -13.564 -12.576 1.00 0.32 C ATOM 485 C ILE A 30 -12.461 -14.878 -11.890 1.00 0.35 C ATOM 486 O ILE A 30 -11.275 -15.191 -11.751 1.00 0.44 O ATOM 487 CB ILE A 30 -12.916 -13.748 -14.102 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.384 -12.449 -14.776 1.00 0.47 C ATOM 489 CG2 ILE A 30 -13.842 -14.912 -14.479 1.00 0.50 C ATOM 490 CD1 ILE A 30 -13.712 -12.652 -16.260 1.00 0.57 C ATOM 0 H ILE A 30 -11.222 -12.290 -12.941 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.852 -13.286 -12.220 1.00 0.32 H new ATOM 0 HB ILE A 30 -11.913 -13.986 -14.456 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.266 -12.071 -14.259 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.607 -11.690 -14.678 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -13.865 -15.022 -15.563 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.471 -15.833 -14.029 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -14.849 -14.709 -14.113 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.038 -11.706 -16.693 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -12.823 -13.004 -16.784 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -14.508 -13.390 -16.359 1.00 0.57 H new ATOM 502 N ASN A 31 -13.472 -15.638 -11.478 1.00 0.46 N ATOM 503 CA ASN A 31 -13.296 -16.935 -10.815 1.00 0.58 C ATOM 504 C ASN A 31 -14.389 -17.894 -11.321 1.00 0.71 C ATOM 505 O ASN A 31 -15.305 -17.477 -12.037 1.00 1.20 O ATOM 506 CB ASN A 31 -13.374 -16.749 -9.283 1.00 0.73 C ATOM 507 CG ASN A 31 -12.960 -18.023 -8.541 1.00 0.93 C ATOM 508 OD1 ASN A 31 -12.145 -18.802 -9.031 1.00 1.27 O ATOM 509 ND2 ASN A 31 -13.519 -18.238 -7.360 1.00 1.47 N ATOM 0 H ASN A 31 -14.449 -15.371 -11.595 1.00 0.46 H new ATOM 0 HA ASN A 31 -12.319 -17.358 -11.049 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -12.727 -15.925 -8.982 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -14.391 -16.476 -9.000 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -13.277 -19.072 -6.826 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -14.192 -17.569 -6.985 1.00 1.47 H new ATOM 516 N ASN A 32 -14.291 -19.177 -10.957 1.00 0.85 N ATOM 517 CA ASN A 32 -15.269 -20.201 -11.374 1.00 1.00 C ATOM 518 C ASN A 32 -16.683 -19.832 -10.888 1.00 1.00 C ATOM 519 O ASN A 32 -17.030 -20.071 -9.729 1.00 1.97 O ATOM 520 CB ASN A 32 -14.845 -21.574 -10.816 1.00 1.24 C ATOM 521 CG ASN A 32 -15.639 -22.719 -11.458 1.00 1.73 C ATOM 522 OD1 ASN A 32 -16.672 -22.505 -12.092 1.00 2.06 O ATOM 523 ND2 ASN A 32 -15.153 -23.937 -11.292 1.00 2.52 N ATOM 0 H ASN A 32 -13.539 -19.538 -10.370 1.00 0.85 H new ATOM 0 HA ASN A 32 -15.291 -20.249 -12.463 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.780 -21.726 -10.994 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.993 -21.589 -9.736 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -15.637 -24.739 -11.696 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -14.294 -24.075 -10.760 1.00 2.52 H new ATOM 530 N GLN A 33 -17.476 -19.228 -11.787 1.00 0.75 N ATOM 531 CA GLN A 33 -18.855 -18.789 -11.496 1.00 0.67 C ATOM 532 C GLN A 33 -18.883 -17.772 -10.343 1.00 0.56 C ATOM 533 O GLN A 33 -19.856 -17.718 -9.564 1.00 0.71 O ATOM 534 CB GLN A 33 -19.754 -19.997 -11.184 1.00 0.83 C ATOM 535 CG GLN A 33 -19.812 -20.976 -12.365 1.00 1.46 C ATOM 536 CD GLN A 33 -20.348 -22.332 -11.909 1.00 1.85 C ATOM 537 OE1 GLN A 33 -21.385 -22.792 -12.379 1.00 2.11 O ATOM 538 NE2 GLN A 33 -19.636 -22.973 -10.993 1.00 2.67 N ATOM 0 H GLN A 33 -17.179 -19.028 -12.742 1.00 0.75 H new ATOM 0 HA GLN A 33 -19.245 -18.293 -12.385 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -19.378 -20.513 -10.301 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -20.760 -19.651 -10.947 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -20.451 -20.571 -13.150 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -18.817 -21.097 -12.794 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -18.780 -22.555 -10.628 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -19.944 -23.884 -10.653 1.00 2.67 H new ATOM 547 N GLU A 34 -17.808 -16.963 -10.258 1.00 0.53 N ATOM 548 CA GLU A 34 -17.662 -15.937 -9.231 1.00 0.49 C ATOM 549 C GLU A 34 -16.782 -14.806 -9.760 1.00 0.45 C ATOM 550 O GLU A 34 -16.035 -14.983 -10.726 1.00 0.64 O ATOM 551 CB GLU A 34 -17.019 -16.537 -7.973 1.00 0.61 C ATOM 552 CG GLU A 34 -18.039 -17.239 -7.074 1.00 1.25 C ATOM 553 CD GLU A 34 -17.389 -17.643 -5.758 1.00 1.42 C ATOM 554 OE1 GLU A 34 -16.164 -17.886 -5.741 1.00 1.89 O ATOM 555 OE2 GLU A 34 -18.099 -17.723 -4.738 1.00 1.79 O ATOM 0 H GLU A 34 -17.021 -17.011 -10.905 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.648 -15.547 -8.977 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.247 -17.249 -8.267 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -16.525 -15.746 -7.409 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -18.883 -16.576 -6.883 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.434 -18.121 -7.579 1.00 1.25 H new ATOM 562 N MET A 35 -16.853 -13.655 -9.109 1.00 0.36 N ATOM 563 CA MET A 35 -16.055 -12.496 -9.481 1.00 0.35 C ATOM 564 C MET A 35 -15.673 -11.735 -8.211 1.00 0.32 C ATOM 565 O MET A 35 -16.494 -11.572 -7.304 1.00 0.42 O ATOM 566 CB MET A 35 -16.821 -11.598 -10.458 1.00 0.41 C ATOM 567 CG MET A 35 -18.053 -10.955 -9.812 1.00 0.43 C ATOM 568 SD MET A 35 -19.111 -10.102 -11.003 1.00 0.60 S ATOM 569 CE MET A 35 -17.930 -9.078 -11.902 1.00 1.25 C ATOM 0 H MET A 35 -17.465 -13.498 -8.308 1.00 0.36 H new ATOM 0 HA MET A 35 -15.148 -12.822 -9.990 1.00 0.35 H new ATOM 0 HB2 MET A 35 -16.157 -10.816 -10.827 1.00 0.41 H new ATOM 0 HB3 MET A 35 -17.131 -12.186 -11.322 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.634 -11.725 -9.305 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.729 -10.246 -9.050 1.00 0.43 H new ATOM 0 HE1 MET A 35 -18.429 -8.180 -12.265 1.00 1.25 H new ATOM 0 HE2 MET A 35 -17.113 -8.796 -11.238 1.00 1.25 H new ATOM 0 HE3 MET A 35 -17.532 -9.639 -12.748 1.00 1.25 H new ATOM 579 N GLY A 36 -14.426 -11.287 -8.144 1.00 0.27 N ATOM 580 CA GLY A 36 -13.916 -10.560 -6.980 1.00 0.29 C ATOM 581 C GLY A 36 -13.707 -9.081 -7.298 1.00 0.25 C ATOM 582 O GLY A 36 -13.116 -8.738 -8.325 1.00 0.28 O ATOM 0 H GLY A 36 -13.740 -11.414 -8.888 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.616 -10.661 -6.150 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -12.973 -11.002 -6.657 1.00 0.29 H new ATOM 586 N PHE A 37 -14.183 -8.217 -6.404 1.00 0.24 N ATOM 587 CA PHE A 37 -14.051 -6.763 -6.553 1.00 0.25 C ATOM 588 C PHE A 37 -13.011 -6.242 -5.558 1.00 0.25 C ATOM 589 O PHE A 37 -13.288 -6.145 -4.361 1.00 0.40 O ATOM 590 CB PHE A 37 -15.403 -6.085 -6.304 1.00 0.30 C ATOM 591 CG PHE A 37 -16.429 -6.427 -7.362 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.260 -5.965 -8.657 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.531 -7.205 -7.044 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.191 -6.277 -9.631 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.462 -7.518 -8.020 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.292 -7.053 -9.313 1.00 0.33 C ATOM 0 H PHE A 37 -14.671 -8.501 -5.555 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.726 -6.532 -7.568 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.781 -6.385 -5.326 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.263 -5.004 -6.274 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.400 -5.361 -8.906 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.664 -7.567 -6.035 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.059 -5.915 -10.640 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.321 -8.125 -7.773 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.019 -7.296 -10.074 1.00 0.33 H new ATOM 606 N TYR A 38 -11.817 -5.921 -6.057 1.00 0.20 N ATOM 607 CA TYR A 38 -10.716 -5.426 -5.214 1.00 0.21 C ATOM 608 C TYR A 38 -10.250 -4.038 -5.667 1.00 0.21 C ATOM 609 O TYR A 38 -10.763 -3.477 -6.636 1.00 0.23 O ATOM 610 CB TYR A 38 -9.547 -6.412 -5.267 1.00 0.23 C ATOM 611 CG TYR A 38 -9.920 -7.785 -4.751 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.885 -8.049 -3.393 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.300 -8.779 -5.634 1.00 0.27 C ATOM 614 CE1 TYR A 38 -10.229 -9.304 -2.918 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.644 -10.034 -5.162 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.608 -10.293 -3.804 1.00 0.44 C ATOM 617 OH TYR A 38 -10.954 -11.539 -3.332 1.00 0.55 O ATOM 0 H TYR A 38 -11.582 -5.994 -7.047 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.079 -5.341 -4.190 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.195 -6.498 -6.295 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.718 -6.019 -4.678 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.589 -7.274 -2.701 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.328 -8.576 -6.694 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -10.201 -9.508 -1.858 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.940 -10.809 -5.853 1.00 0.35 H new ATOM 0 HH TYR A 38 -11.197 -12.118 -4.084 1.00 0.55 H new ATOM 627 N LYS A 39 -9.266 -3.493 -4.947 1.00 0.25 N ATOM 628 CA LYS A 39 -8.705 -2.168 -5.246 1.00 0.29 C ATOM 629 C LYS A 39 -7.794 -2.210 -6.477 1.00 0.28 C ATOM 630 O LYS A 39 -7.836 -1.312 -7.317 1.00 0.33 O ATOM 631 CB LYS A 39 -7.919 -1.660 -4.031 1.00 0.36 C ATOM 632 CG LYS A 39 -7.661 -0.155 -4.121 1.00 0.70 C ATOM 633 CD LYS A 39 -7.192 0.412 -2.778 1.00 1.15 C ATOM 634 CE LYS A 39 -6.791 1.887 -2.900 1.00 1.82 C ATOM 635 NZ LYS A 39 -5.581 2.048 -3.752 1.00 2.51 N ATOM 0 H LYS A 39 -8.836 -3.953 -4.144 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.529 -1.489 -5.464 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.473 -1.881 -3.119 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -6.969 -2.190 -3.963 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -6.908 0.042 -4.884 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.572 0.354 -4.434 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -7.988 0.310 -2.041 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -6.344 -0.168 -2.413 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -7.617 2.457 -3.326 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -6.598 2.297 -1.909 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -5.185 3.000 -3.616 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -4.871 1.336 -3.485 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -5.840 1.921 -4.751 1.00 2.51 H new ATOM 649 N ASP A 40 -6.966 -3.251 -6.565 1.00 0.28 N ATOM 650 CA ASP A 40 -6.025 -3.430 -7.678 1.00 0.32 C ATOM 651 C ASP A 40 -5.511 -4.874 -7.707 1.00 0.33 C ATOM 652 O ASP A 40 -6.004 -5.737 -6.972 1.00 0.32 O ATOM 653 CB ASP A 40 -4.850 -2.429 -7.561 1.00 0.38 C ATOM 654 CG ASP A 40 -3.847 -2.832 -6.476 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.244 -2.952 -5.298 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.664 -3.043 -6.804 1.00 0.94 O ATOM 0 H ASP A 40 -6.926 -3.995 -5.869 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.546 -3.231 -8.614 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.336 -2.362 -8.520 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.242 -1.437 -7.339 1.00 0.38 H new ATOM 661 N ALA A 41 -4.504 -5.127 -8.550 1.00 0.40 N ATOM 662 CA ALA A 41 -3.900 -6.465 -8.686 1.00 0.45 C ATOM 663 C ALA A 41 -3.250 -6.923 -7.372 1.00 0.45 C ATOM 664 O ALA A 41 -3.304 -8.108 -7.030 1.00 0.47 O ATOM 665 CB ALA A 41 -2.857 -6.458 -9.807 1.00 0.55 C ATOM 0 H ALA A 41 -4.085 -4.420 -9.154 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.696 -7.168 -8.933 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.416 -7.451 -9.900 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.335 -6.184 -10.747 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.076 -5.735 -9.573 1.00 0.55 H new ATOM 671 N LYS A 42 -2.650 -5.985 -6.634 1.00 0.46 N ATOM 672 CA LYS A 42 -2.005 -6.297 -5.353 1.00 0.48 C ATOM 673 C LYS A 42 -3.065 -6.575 -4.280 1.00 0.43 C ATOM 674 O LYS A 42 -2.942 -7.525 -3.508 1.00 0.47 O ATOM 675 CB LYS A 42 -1.089 -5.144 -4.928 1.00 0.54 C ATOM 676 CG LYS A 42 -0.086 -4.799 -6.037 1.00 0.77 C ATOM 677 CD LYS A 42 1.239 -4.290 -5.471 1.00 1.12 C ATOM 678 CE LYS A 42 2.195 -5.441 -5.136 1.00 1.96 C ATOM 679 NZ LYS A 42 2.574 -6.221 -6.350 1.00 2.76 N ATOM 0 H LYS A 42 -2.597 -5.002 -6.901 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.396 -7.193 -5.472 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.690 -4.266 -4.691 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.552 -5.418 -4.020 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.096 -5.682 -6.649 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.516 -4.041 -6.692 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.711 -3.624 -6.193 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.049 -3.702 -4.573 1.00 1.12 H new ATOM 0 HE2 LYS A 42 3.094 -5.041 -4.666 1.00 1.96 H new ATOM 0 HE3 LYS A 42 1.724 -6.104 -4.411 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 3.500 -6.669 -6.199 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 1.859 -6.955 -6.528 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 2.627 -5.583 -7.170 1.00 2.76 H new ATOM 693 N SER A 43 -4.125 -5.755 -4.261 1.00 0.38 N ATOM 694 CA SER A 43 -5.237 -5.915 -3.314 1.00 0.38 C ATOM 695 C SER A 43 -5.924 -7.279 -3.525 1.00 0.39 C ATOM 696 O SER A 43 -6.295 -7.957 -2.562 1.00 0.45 O ATOM 697 CB SER A 43 -6.242 -4.775 -3.524 1.00 0.37 C ATOM 698 OG SER A 43 -7.154 -4.672 -2.442 1.00 1.04 O ATOM 0 H SER A 43 -4.236 -4.966 -4.898 1.00 0.38 H new ATOM 0 HA SER A 43 -4.855 -5.879 -2.294 1.00 0.38 H new ATOM 0 HB2 SER A 43 -5.705 -3.833 -3.638 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.793 -4.942 -4.450 1.00 0.37 H new ATOM 0 HG SER A 43 -7.435 -3.739 -2.339 1.00 1.04 H new ATOM 704 N ALA A 44 -6.072 -7.669 -4.795 1.00 0.37 N ATOM 705 CA ALA A 44 -6.693 -8.946 -5.169 1.00 0.43 C ATOM 706 C ALA A 44 -5.797 -10.133 -4.794 1.00 0.51 C ATOM 707 O ALA A 44 -6.292 -11.199 -4.425 1.00 0.59 O ATOM 708 CB ALA A 44 -6.971 -8.963 -6.677 1.00 0.43 C ATOM 0 H ALA A 44 -5.766 -7.111 -5.592 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.630 -9.042 -4.620 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.432 -9.912 -6.951 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.645 -8.145 -6.932 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -6.034 -8.844 -7.221 1.00 0.43 H new ATOM 714 N ALA A 45 -4.478 -9.938 -4.894 1.00 0.54 N ATOM 715 CA ALA A 45 -3.499 -10.985 -4.572 1.00 0.64 C ATOM 716 C ALA A 45 -3.457 -11.260 -3.064 1.00 0.68 C ATOM 717 O ALA A 45 -3.498 -12.416 -2.638 1.00 0.76 O ATOM 718 CB ALA A 45 -2.109 -10.571 -5.070 1.00 0.69 C ATOM 0 H ALA A 45 -4.060 -9.058 -5.198 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.805 -11.903 -5.074 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.388 -11.352 -4.828 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -2.138 -10.426 -6.150 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.812 -9.640 -4.587 1.00 0.69 H new ATOM 724 N SER A 46 -3.372 -10.196 -2.263 1.00 0.65 N ATOM 725 CA SER A 46 -3.322 -10.319 -0.799 1.00 0.73 C ATOM 726 C SER A 46 -4.688 -10.730 -0.225 1.00 0.74 C ATOM 727 O SER A 46 -4.761 -11.489 0.744 1.00 0.84 O ATOM 728 CB SER A 46 -2.877 -8.990 -0.175 1.00 0.75 C ATOM 729 OG SER A 46 -1.804 -8.418 -0.913 1.00 1.21 O ATOM 0 H SER A 46 -3.336 -9.235 -2.602 1.00 0.65 H new ATOM 0 HA SER A 46 -2.600 -11.098 -0.553 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.717 -8.296 -0.150 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.567 -9.154 0.857 1.00 0.75 H new ATOM 0 HG SER A 46 -2.157 -7.968 -1.709 1.00 1.21 H new ATOM 735 N GLY A 47 -5.765 -10.218 -0.822 1.00 0.70 N ATOM 736 CA GLY A 47 -7.128 -10.517 -0.375 1.00 0.74 C ATOM 737 C GLY A 47 -7.596 -9.466 0.627 1.00 0.75 C ATOM 738 O GLY A 47 -7.932 -9.786 1.769 1.00 0.88 O ATOM 0 H GLY A 47 -5.719 -9.589 -1.623 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.803 -10.540 -1.231 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -7.160 -11.506 0.082 1.00 0.74 H new ATOM 742 N ILE A 48 -7.607 -8.208 0.186 1.00 0.67 N ATOM 743 CA ILE A 48 -8.030 -7.078 1.019 1.00 0.72 C ATOM 744 C ILE A 48 -9.466 -6.695 0.645 1.00 0.75 C ATOM 745 O ILE A 48 -9.758 -6.441 -0.523 1.00 0.75 O ATOM 746 CB ILE A 48 -7.075 -5.890 0.807 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.678 -6.218 1.352 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.609 -4.618 1.467 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.624 -5.250 0.818 1.00 0.97 C ATOM 0 H ILE A 48 -7.324 -7.942 -0.757 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.999 -7.357 2.072 1.00 0.72 H new ATOM 0 HB ILE A 48 -7.006 -5.711 -0.266 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.693 -6.176 2.441 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.409 -7.238 1.076 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.910 -3.799 1.298 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.577 -4.363 1.036 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.721 -4.784 2.539 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.648 -5.514 1.226 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.592 -5.311 -0.270 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.879 -4.233 1.117 1.00 0.97 H new ATOM 761 N PRO A 49 -10.390 -6.654 1.627 1.00 0.84 N ATOM 762 CA PRO A 49 -11.801 -6.308 1.368 1.00 0.93 C ATOM 763 C PRO A 49 -11.984 -4.823 1.012 1.00 0.93 C ATOM 764 O PRO A 49 -12.069 -3.962 1.891 1.00 1.08 O ATOM 765 CB PRO A 49 -12.517 -6.673 2.671 1.00 1.07 C ATOM 766 CG PRO A 49 -11.459 -6.608 3.729 1.00 1.06 C ATOM 767 CD PRO A 49 -10.148 -6.950 3.055 1.00 0.92 C ATOM 0 HA PRO A 49 -12.201 -6.842 0.506 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.329 -5.978 2.883 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.957 -7.669 2.614 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.417 -5.614 4.174 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.674 -7.309 4.535 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.327 -6.353 3.453 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.883 -7.996 3.206 1.00 0.92 H new ATOM 775 N TYR A 50 -12.036 -4.544 -0.293 1.00 0.87 N ATOM 776 CA TYR A 50 -12.203 -3.177 -0.814 1.00 0.91 C ATOM 777 C TYR A 50 -13.653 -2.685 -0.649 1.00 1.12 C ATOM 778 O TYR A 50 -13.919 -1.485 -0.714 1.00 1.91 O ATOM 779 CB TYR A 50 -11.798 -3.151 -2.296 1.00 0.92 C ATOM 780 CG TYR A 50 -11.804 -1.768 -2.911 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.007 -0.764 -2.384 1.00 1.02 C ATOM 782 CD2 TYR A 50 -12.605 -1.504 -4.011 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.013 0.499 -2.953 1.00 1.13 C ATOM 784 CE2 TYR A 50 -12.608 -0.241 -4.580 1.00 1.24 C ATOM 785 CZ TYR A 50 -11.812 0.755 -4.047 1.00 1.17 C ATOM 786 OH TYR A 50 -11.813 2.010 -4.617 1.00 1.34 O ATOM 0 H TYR A 50 -11.964 -5.255 -1.020 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.562 -2.505 -0.243 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -10.800 -3.578 -2.397 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.477 -3.791 -2.859 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.380 -0.967 -1.528 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -13.227 -2.284 -4.425 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -10.393 1.281 -2.541 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -13.231 -0.035 -5.438 1.00 1.24 H new ATOM 0 HH TYR A 50 -12.549 2.077 -5.260 1.00 1.34 H new ATOM 796 N HIS A 51 -14.579 -3.620 -0.430 1.00 1.28 N ATOM 797 CA HIS A 51 -15.999 -3.301 -0.242 1.00 1.53 C ATOM 798 C HIS A 51 -16.624 -4.334 0.706 1.00 1.61 C ATOM 799 O HIS A 51 -15.919 -5.172 1.285 1.00 2.07 O ATOM 800 CB HIS A 51 -16.731 -3.294 -1.608 1.00 2.01 C ATOM 801 CG HIS A 51 -17.580 -2.073 -1.830 1.00 2.54 C ATOM 802 ND1 HIS A 51 -18.905 -2.123 -2.195 1.00 3.19 N ATOM 803 CD2 HIS A 51 -17.295 -0.747 -1.741 1.00 2.89 C ATOM 804 CE1 HIS A 51 -19.406 -0.919 -2.325 1.00 3.87 C ATOM 805 NE2 HIS A 51 -18.447 -0.044 -2.054 1.00 3.74 N ATOM 0 H HIS A 51 -14.369 -4.617 -0.378 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.098 -2.308 0.197 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -15.993 -3.363 -2.407 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.360 -4.181 -1.678 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -16.341 -0.318 -1.474 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -20.422 -0.681 -2.604 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -18.541 0.971 -2.073 1.00 3.74 H new ATOM 813 N SER A 52 -17.948 -4.273 0.858 1.00 1.60 N ATOM 814 CA SER A 52 -18.683 -5.202 1.726 1.00 1.96 C ATOM 815 C SER A 52 -18.673 -6.607 1.118 1.00 1.85 C ATOM 816 O SER A 52 -18.046 -7.523 1.654 1.00 2.45 O ATOM 817 CB SER A 52 -20.124 -4.706 1.912 1.00 2.44 C ATOM 818 OG SER A 52 -20.618 -4.095 0.722 1.00 2.65 O ATOM 0 H SER A 52 -18.539 -3.586 0.389 1.00 1.60 H new ATOM 0 HA SER A 52 -18.198 -5.245 2.701 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.766 -5.542 2.188 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.162 -3.991 2.734 1.00 2.44 H new ATOM 0 HG SER A 52 -21.538 -3.790 0.868 1.00 2.65 H new ATOM 824 N GLU A 53 -19.348 -6.755 -0.022 1.00 1.45 N ATOM 825 CA GLU A 53 -19.411 -8.028 -0.744 1.00 1.37 C ATOM 826 C GLU A 53 -18.253 -8.083 -1.743 1.00 1.08 C ATOM 827 O GLU A 53 -18.309 -7.447 -2.801 1.00 1.24 O ATOM 828 CB GLU A 53 -20.755 -8.164 -1.482 1.00 1.73 C ATOM 829 CG GLU A 53 -21.947 -7.769 -0.599 1.00 2.39 C ATOM 830 CD GLU A 53 -22.004 -8.628 0.656 1.00 2.88 C ATOM 831 OE1 GLU A 53 -21.957 -9.868 0.539 1.00 3.46 O ATOM 832 OE2 GLU A 53 -22.104 -8.063 1.762 1.00 3.23 O ATOM 0 H GLU A 53 -19.865 -5.999 -0.471 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.330 -8.853 -0.036 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.743 -7.537 -2.373 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -20.880 -9.193 -1.818 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -21.866 -6.718 -0.321 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -22.874 -7.879 -1.162 1.00 2.39 H new ATOM 839 N VAL A 54 -17.196 -8.816 -1.393 1.00 0.84 N ATOM 840 CA VAL A 54 -16.008 -8.929 -2.253 1.00 0.66 C ATOM 841 C VAL A 54 -16.175 -10.067 -3.274 1.00 0.55 C ATOM 842 O VAL A 54 -16.018 -9.839 -4.471 1.00 0.49 O ATOM 843 CB VAL A 54 -14.722 -9.125 -1.412 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.526 -8.470 -2.105 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.885 -8.553 0.003 1.00 1.34 C ATOM 0 H VAL A 54 -17.134 -9.342 -0.521 1.00 0.84 H new ATOM 0 HA VAL A 54 -15.906 -7.993 -2.803 1.00 0.66 H new ATOM 0 HB VAL A 54 -14.543 -10.197 -1.326 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.630 -8.617 -1.501 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.381 -8.923 -3.086 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.713 -7.403 -2.223 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.965 -8.707 0.566 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.098 -7.486 -0.058 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.708 -9.059 0.507 1.00 1.34 H new ATOM 855 N PRO A 55 -16.507 -11.309 -2.830 1.00 0.62 N ATOM 856 CA PRO A 55 -16.692 -12.455 -3.730 1.00 0.59 C ATOM 857 C PRO A 55 -18.156 -12.602 -4.159 1.00 0.58 C ATOM 858 O PRO A 55 -18.965 -13.209 -3.451 1.00 0.83 O ATOM 859 CB PRO A 55 -16.237 -13.637 -2.872 1.00 0.76 C ATOM 860 CG PRO A 55 -16.430 -13.207 -1.442 1.00 0.87 C ATOM 861 CD PRO A 55 -16.742 -11.722 -1.438 1.00 0.83 C ATOM 0 HA PRO A 55 -16.137 -12.363 -4.663 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -16.823 -14.529 -3.094 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.194 -13.883 -3.068 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.243 -13.769 -0.981 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -15.532 -13.409 -0.858 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -17.771 -11.530 -1.132 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.098 -11.180 -0.746 1.00 0.83 H new ATOM 869 N VAL A 56 -18.485 -12.040 -5.317 1.00 0.41 N ATOM 870 CA VAL A 56 -19.847 -12.089 -5.862 1.00 0.43 C ATOM 871 C VAL A 56 -19.973 -13.273 -6.831 1.00 0.42 C ATOM 872 O VAL A 56 -18.981 -13.715 -7.415 1.00 0.43 O ATOM 873 CB VAL A 56 -20.160 -10.752 -6.556 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.583 -10.725 -7.114 1.00 0.62 C ATOM 875 CG2 VAL A 56 -19.962 -9.591 -5.578 1.00 0.63 C ATOM 0 H VAL A 56 -17.821 -11.538 -5.907 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.571 -12.237 -5.061 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.470 -10.645 -7.393 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.766 -9.765 -7.596 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.703 -11.526 -7.843 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.295 -10.864 -6.301 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.186 -8.650 -6.080 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -20.630 -9.716 -4.725 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -18.929 -9.580 -5.231 1.00 0.63 H new ATOM 885 N SER A 57 -21.192 -13.793 -6.974 1.00 0.47 N ATOM 886 CA SER A 57 -21.468 -14.942 -7.844 1.00 0.48 C ATOM 887 C SER A 57 -21.659 -14.512 -9.302 1.00 0.46 C ATOM 888 O SER A 57 -22.404 -13.578 -9.599 1.00 0.59 O ATOM 889 CB SER A 57 -22.726 -15.665 -7.346 1.00 0.61 C ATOM 890 OG SER A 57 -22.945 -16.869 -8.075 1.00 0.91 O ATOM 0 H SER A 57 -22.016 -13.433 -6.492 1.00 0.47 H new ATOM 0 HA SER A 57 -20.610 -15.614 -7.805 1.00 0.48 H new ATOM 0 HB2 SER A 57 -22.623 -15.892 -6.285 1.00 0.61 H new ATOM 0 HB3 SER A 57 -23.591 -15.010 -7.450 1.00 0.61 H new ATOM 0 HG SER A 57 -23.751 -17.313 -7.739 1.00 0.91 H new ATOM 896 N LEU A 58 -21.003 -15.238 -10.204 1.00 0.44 N ATOM 897 CA LEU A 58 -21.096 -14.994 -11.644 1.00 0.49 C ATOM 898 C LEU A 58 -21.769 -16.202 -12.310 1.00 0.60 C ATOM 899 O LEU A 58 -21.528 -16.499 -13.479 1.00 0.89 O ATOM 900 CB LEU A 58 -19.690 -14.758 -12.220 1.00 0.67 C ATOM 901 CG LEU A 58 -19.733 -14.017 -13.565 1.00 0.70 C ATOM 902 CD1 LEU A 58 -19.999 -12.524 -13.364 1.00 0.60 C ATOM 903 CD2 LEU A 58 -18.427 -14.226 -14.330 1.00 0.86 C ATOM 0 H LEU A 58 -20.390 -16.015 -9.958 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.695 -14.105 -11.839 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.099 -14.182 -11.508 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.187 -15.716 -12.350 1.00 0.67 H new ATOM 0 HG LEU A 58 -20.554 -14.430 -14.151 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.024 -12.025 -14.333 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -20.957 -12.389 -12.862 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -19.206 -12.092 -12.754 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -18.473 -13.695 -15.281 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -17.594 -13.843 -13.740 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.280 -15.290 -14.516 1.00 0.86 H new ATOM 915 N LYS A 59 -22.612 -16.903 -11.546 1.00 0.70 N ATOM 916 CA LYS A 59 -23.326 -18.079 -12.035 1.00 0.90 C ATOM 917 C LYS A 59 -24.516 -17.646 -12.894 1.00 0.87 C ATOM 918 O LYS A 59 -25.369 -16.882 -12.434 1.00 0.95 O ATOM 919 CB LYS A 59 -23.796 -18.922 -10.837 1.00 1.13 C ATOM 920 CG LYS A 59 -24.042 -20.385 -11.218 1.00 1.41 C ATOM 921 CD LYS A 59 -23.711 -21.316 -10.046 1.00 1.78 C ATOM 922 CE LYS A 59 -24.107 -22.768 -10.332 1.00 2.18 C ATOM 923 NZ LYS A 59 -25.569 -22.909 -10.593 1.00 2.83 N ATOM 0 H LYS A 59 -22.816 -16.670 -10.574 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.662 -18.683 -12.653 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.047 -18.876 -10.046 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -24.714 -18.495 -10.432 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -25.083 -20.519 -11.512 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -23.431 -20.648 -12.081 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -22.643 -21.267 -9.836 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -24.228 -20.969 -9.151 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -23.548 -23.133 -11.194 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -23.828 -23.393 -9.484 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -25.844 -23.907 -10.496 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -26.101 -22.335 -9.908 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -25.783 -22.583 -11.557 1.00 2.83 H new ATOM 937 N GLU A 60 -24.557 -18.128 -14.143 1.00 0.89 N ATOM 938 CA GLU A 60 -25.634 -17.801 -15.096 1.00 0.93 C ATOM 939 C GLU A 60 -25.793 -16.283 -15.269 1.00 0.71 C ATOM 940 O GLU A 60 -26.891 -15.738 -15.113 1.00 0.82 O ATOM 941 CB GLU A 60 -26.952 -18.431 -14.633 1.00 1.20 C ATOM 942 CG GLU A 60 -26.815 -19.946 -14.487 1.00 1.43 C ATOM 943 CD GLU A 60 -28.187 -20.598 -14.404 1.00 1.80 C ATOM 944 OE1 GLU A 60 -29.013 -20.369 -15.310 1.00 2.04 O ATOM 945 OE2 GLU A 60 -28.444 -21.331 -13.431 1.00 2.33 O ATOM 0 H GLU A 60 -23.848 -18.754 -14.524 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.363 -18.214 -16.068 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.252 -17.996 -13.679 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.740 -18.201 -15.350 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -26.264 -20.351 -15.336 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -26.239 -20.181 -13.592 1.00 1.43 H new ATOM 952 N ALA A 61 -24.689 -15.611 -15.586 1.00 0.51 N ATOM 953 CA ALA A 61 -24.680 -14.157 -15.774 1.00 0.35 C ATOM 954 C ALA A 61 -25.169 -13.784 -17.173 1.00 0.35 C ATOM 955 O ALA A 61 -24.746 -14.378 -18.170 1.00 0.43 O ATOM 956 CB ALA A 61 -23.264 -13.609 -15.560 1.00 0.31 C ATOM 0 H ALA A 61 -23.779 -16.053 -15.720 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.356 -13.716 -15.041 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.267 -12.528 -15.702 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -22.933 -13.841 -14.548 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.584 -14.067 -16.278 1.00 0.31 H new ATOM 962 N ILE A 62 -26.033 -12.774 -17.234 1.00 0.34 N ATOM 963 CA ILE A 62 -26.569 -12.265 -18.497 1.00 0.37 C ATOM 964 C ILE A 62 -25.815 -10.985 -18.835 1.00 0.31 C ATOM 965 O ILE A 62 -25.607 -10.142 -17.959 1.00 0.31 O ATOM 966 CB ILE A 62 -28.075 -11.980 -18.383 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.823 -13.221 -17.877 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.633 -11.524 -19.737 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.315 -12.946 -17.705 1.00 1.27 C ATOM 0 H ILE A 62 -26.382 -12.284 -16.410 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.439 -13.009 -19.283 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.223 -11.177 -17.660 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.682 -14.043 -18.579 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.399 -13.539 -16.925 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.701 -11.325 -19.642 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.122 -10.615 -20.054 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.474 -12.307 -20.478 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.812 -13.847 -17.346 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.456 -12.141 -16.983 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.744 -12.653 -18.663 1.00 1.27 H new ATOM 981 N CYS A 63 -25.381 -10.849 -20.082 1.00 0.34 N ATOM 982 CA CYS A 63 -24.613 -9.677 -20.503 1.00 0.33 C ATOM 983 C CYS A 63 -25.177 -9.067 -21.787 1.00 0.34 C ATOM 984 O CYS A 63 -25.492 -9.774 -22.745 1.00 0.52 O ATOM 985 CB CYS A 63 -23.143 -10.079 -20.692 1.00 0.37 C ATOM 986 SG CYS A 63 -22.013 -8.692 -20.493 1.00 0.53 S ATOM 0 H CYS A 63 -25.546 -11.533 -20.821 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.686 -8.914 -19.728 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.888 -10.857 -19.972 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -23.013 -10.509 -21.685 1.00 0.37 H new ATOM 0 HG CYS A 63 -20.819 -9.138 -20.240 1.00 0.53 H new ATOM 992 N GLU A 64 -25.273 -7.736 -21.794 1.00 0.26 N ATOM 993 CA GLU A 64 -25.763 -6.964 -22.939 1.00 0.29 C ATOM 994 C GLU A 64 -24.741 -5.870 -23.257 1.00 0.24 C ATOM 995 O GLU A 64 -23.984 -5.458 -22.379 1.00 0.36 O ATOM 996 CB GLU A 64 -27.129 -6.338 -22.620 1.00 0.33 C ATOM 997 CG GLU A 64 -28.078 -7.351 -21.973 1.00 0.81 C ATOM 998 CD GLU A 64 -29.507 -6.829 -22.011 1.00 1.41 C ATOM 999 OE1 GLU A 64 -30.108 -6.822 -23.101 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -30.030 -6.421 -20.956 1.00 1.96 O ATOM 0 H GLU A 64 -25.010 -7.157 -20.996 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.887 -7.620 -23.800 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.993 -5.488 -21.951 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.576 -5.954 -23.537 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.017 -8.304 -22.498 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.777 -7.535 -20.942 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.705 -5.407 -24.501 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.746 -4.373 -24.912 1.00 0.32 C ATOM 1009 C VAL A 65 -24.391 -2.977 -24.924 1.00 0.31 C ATOM 1010 O VAL A 65 -25.532 -2.805 -25.356 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.171 -4.711 -26.300 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.912 -3.877 -26.578 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.850 -6.206 -26.409 1.00 0.39 C ATOM 0 H VAL A 65 -25.325 -5.726 -25.245 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.936 -4.355 -24.183 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.926 -4.466 -27.047 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.519 -4.129 -27.563 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.164 -2.817 -26.548 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.158 -4.093 -25.821 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.445 -6.420 -27.398 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -22.116 -6.477 -25.650 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.760 -6.786 -26.256 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.623 -1.989 -24.461 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.036 -0.583 -24.410 1.00 0.31 C ATOM 1025 C ALA A 66 -22.942 0.250 -25.088 1.00 0.34 C ATOM 1026 O ALA A 66 -22.096 0.845 -24.424 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.240 -0.149 -22.951 1.00 0.36 C ATOM 0 H ALA A 66 -22.680 -2.145 -24.105 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.983 -0.437 -24.929 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.547 0.897 -22.922 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.012 -0.767 -22.492 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.306 -0.269 -22.402 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.951 0.240 -26.425 1.00 0.55 N ATOM 1034 CA LEU A 67 -21.949 0.946 -27.255 1.00 0.71 C ATOM 1035 C LEU A 67 -22.124 2.477 -27.231 1.00 0.89 C ATOM 1036 O LEU A 67 -21.274 3.202 -27.748 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.048 0.429 -28.705 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.669 0.261 -29.355 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -20.134 -1.159 -29.129 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.741 0.573 -30.852 1.00 1.39 C ATOM 0 H LEU A 67 -23.654 -0.258 -26.972 1.00 0.55 H new ATOM 0 HA LEU A 67 -20.965 0.737 -26.836 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.571 -0.527 -28.713 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.645 1.123 -29.297 1.00 0.76 H new ATOM 0 HG LEU A 67 -19.982 0.966 -28.887 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -19.155 -1.258 -29.598 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -20.045 -1.348 -28.059 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -20.822 -1.881 -29.569 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -19.754 0.449 -31.297 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -21.444 -0.108 -31.332 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -21.076 1.600 -30.994 1.00 1.39 H new ATOM 1052 N ASP A 68 -23.210 2.963 -26.637 1.00 0.90 N ATOM 1053 CA ASP A 68 -23.465 4.401 -26.551 1.00 1.14 C ATOM 1054 C ASP A 68 -24.376 4.679 -25.360 1.00 0.87 C ATOM 1055 O ASP A 68 -25.590 4.840 -25.513 1.00 1.00 O ATOM 1056 CB ASP A 68 -24.097 4.921 -27.857 1.00 1.59 C ATOM 1057 CG ASP A 68 -24.273 6.442 -27.815 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -23.264 7.169 -27.881 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -25.424 6.910 -27.711 1.00 2.62 O ATOM 0 H ASP A 68 -23.930 2.382 -26.207 1.00 0.90 H new ATOM 0 HA ASP A 68 -22.520 4.926 -26.409 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -23.467 4.648 -28.704 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -25.065 4.444 -28.012 1.00 1.59 H new ATOM 1064 N TYR A 69 -23.776 4.738 -24.174 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.500 5.007 -22.938 1.00 0.69 C ATOM 1066 C TYR A 69 -24.213 6.446 -22.496 1.00 0.97 C ATOM 1067 O TYR A 69 -23.480 6.687 -21.531 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.088 3.988 -21.860 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.731 4.251 -20.508 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.107 4.378 -20.403 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -23.943 4.387 -19.374 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.691 4.640 -19.173 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.531 4.646 -18.146 1.00 0.64 C ATOM 1074 CZ TYR A 69 -25.900 4.773 -18.051 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.471 5.042 -16.827 1.00 0.97 O ATOM 0 H TYR A 69 -22.774 4.600 -24.044 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.573 4.903 -23.097 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.358 2.986 -22.194 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.004 4.005 -21.749 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.726 4.273 -21.282 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -22.870 4.291 -19.448 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.763 4.740 -19.094 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -23.917 4.748 -17.264 1.00 0.64 H new ATOM 0 HH TYR A 69 -25.770 5.103 -16.145 1.00 0.97 H new ATOM 1173 N HIS A 74 -17.747 2.351 -24.660 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.652 0.887 -24.573 1.00 0.38 C ATOM 1175 C HIS A 74 -18.104 0.381 -23.206 1.00 0.30 C ATOM 1176 O HIS A 74 -17.283 0.100 -22.330 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.211 0.430 -24.873 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.629 1.075 -26.100 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.656 0.508 -27.345 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -14.997 2.258 -26.272 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -15.074 1.281 -28.228 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -14.654 2.368 -27.605 1.00 1.53 N ATOM 0 HA HIS A 74 -18.320 0.459 -25.320 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.578 0.658 -24.015 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.199 -0.653 -24.999 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -14.796 2.988 -25.502 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -14.958 1.067 -29.280 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -14.162 3.152 -28.034 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.418 0.259 -23.038 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.019 -0.219 -21.791 1.00 0.23 C ATOM 1192 C VAL A 75 -20.835 -1.485 -22.064 1.00 0.22 C ATOM 1193 O VAL A 75 -21.283 -1.718 -23.188 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.921 0.888 -21.198 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.519 0.473 -19.846 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.142 2.196 -21.046 1.00 0.31 C ATOM 0 H VAL A 75 -20.099 0.488 -23.762 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.235 -0.458 -21.073 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.744 1.042 -21.896 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.146 1.278 -19.463 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.121 -0.426 -19.975 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.714 0.272 -19.139 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.795 2.962 -20.627 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.293 2.039 -20.380 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.782 2.521 -22.022 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.051 -2.287 -21.028 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.847 -3.504 -21.141 1.00 0.23 C ATOM 1208 C PHE A 76 -22.647 -3.700 -19.856 1.00 0.22 C ATOM 1209 O PHE A 76 -22.137 -3.500 -18.750 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.991 -4.738 -21.480 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.903 -5.083 -20.486 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.632 -4.542 -20.621 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.162 -5.982 -19.463 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.628 -4.901 -19.738 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -19.161 -6.335 -18.574 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.892 -5.796 -18.714 1.00 0.29 C ATOM 0 H PHE A 76 -20.683 -2.114 -20.093 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.537 -3.390 -21.977 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.652 -5.599 -21.578 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.529 -4.579 -22.454 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.426 -3.840 -21.416 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -21.149 -6.409 -19.359 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.638 -4.483 -19.848 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.369 -7.029 -17.773 1.00 0.29 H new ATOM 0 HZ PHE A 76 -17.109 -6.074 -18.025 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.911 -4.073 -20.024 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.835 -4.292 -18.905 1.00 0.28 C ATOM 1228 C LYS A 77 -24.750 -5.753 -18.470 1.00 0.31 C ATOM 1229 O LYS A 77 -25.144 -6.653 -19.213 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.270 -3.904 -19.332 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.368 -4.490 -18.427 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.155 -4.191 -16.934 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.204 -3.212 -16.395 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.594 -3.702 -16.609 1.00 1.95 N ATOM 0 H LYS A 77 -24.330 -4.234 -20.940 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.562 -3.665 -18.056 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.357 -2.817 -19.335 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.438 -4.240 -20.355 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -28.334 -4.090 -18.735 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -27.409 -5.570 -18.571 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.200 -5.121 -16.367 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -26.159 -3.775 -16.785 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -28.037 -3.053 -15.330 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.082 -2.246 -16.884 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.045 -3.148 -17.365 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.570 -4.705 -16.882 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.139 -3.595 -15.730 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.208 -5.972 -17.276 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.022 -7.311 -16.720 1.00 0.24 C ATOM 1250 C LEU A 78 -24.957 -7.533 -15.530 1.00 0.29 C ATOM 1251 O LEU A 78 -24.879 -6.819 -14.524 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.555 -7.452 -16.278 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.235 -8.827 -15.696 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.737 -9.940 -16.607 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.733 -8.982 -15.439 1.00 0.86 C ATOM 0 H LEU A 78 -23.884 -5.224 -16.663 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.259 -8.060 -17.475 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.905 -7.265 -17.133 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.331 -6.688 -15.534 1.00 0.30 H new ATOM 0 HG LEU A 78 -22.755 -8.908 -14.741 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.495 -10.907 -16.167 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -23.817 -9.855 -16.724 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -22.258 -9.855 -17.583 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.535 -9.971 -15.025 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -20.190 -8.866 -16.377 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.404 -8.220 -14.732 1.00 0.86 H new ATOM 1267 N ARG A 79 -25.816 -8.547 -15.634 1.00 0.31 N ATOM 1268 CA ARG A 79 -26.737 -8.900 -14.555 1.00 0.40 C ATOM 1269 C ARG A 79 -26.415 -10.310 -14.076 1.00 0.45 C ATOM 1270 O ARG A 79 -26.451 -11.270 -14.853 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.202 -8.819 -14.997 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.127 -9.127 -13.815 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.589 -8.801 -14.120 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.356 -8.735 -12.874 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.684 -8.799 -12.858 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -33.293 -9.973 -12.872 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -33.393 -7.687 -12.826 1.00 2.99 N ATOM 0 H ARG A 79 -25.893 -9.141 -16.460 1.00 0.31 H new ATOM 0 HA ARG A 79 -26.607 -8.182 -13.745 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.417 -7.825 -15.388 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.385 -9.526 -15.806 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.039 -10.182 -13.554 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -28.804 -8.555 -12.945 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.656 -7.850 -14.649 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.011 -9.562 -14.777 1.00 1.51 H new ATOM 0 HE ARG A 79 -30.856 -8.637 -11.991 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.744 -10.832 -12.895 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -34.312 -10.019 -12.860 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -32.922 -6.782 -12.814 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -34.412 -7.732 -12.814 1.00 2.99 H new ATOM 1291 N LEU A 80 -26.109 -10.421 -12.795 1.00 0.54 N ATOM 1292 CA LEU A 80 -25.777 -11.701 -12.171 1.00 0.68 C ATOM 1293 C LEU A 80 -27.060 -12.425 -11.763 1.00 0.84 C ATOM 1294 O LEU A 80 -28.078 -11.781 -11.506 1.00 1.06 O ATOM 1295 CB LEU A 80 -24.910 -11.453 -10.928 1.00 0.82 C ATOM 1296 CG LEU A 80 -23.756 -10.484 -11.217 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -22.885 -10.295 -9.978 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -22.917 -10.964 -12.400 1.00 1.26 C ATOM 0 H LEU A 80 -26.082 -9.629 -12.153 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.228 -12.318 -12.882 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -25.530 -11.050 -10.128 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -24.507 -12.401 -10.572 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.188 -9.519 -11.482 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -22.073 -9.604 -10.206 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -23.490 -9.890 -9.167 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -22.469 -11.256 -9.675 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.107 -10.258 -12.582 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -22.499 -11.945 -12.175 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -23.545 -11.032 -13.288 1.00 1.26 H new ATOM 1310 N SER A 81 -27.004 -13.759 -11.660 1.00 1.01 N ATOM 1311 CA SER A 81 -28.171 -14.552 -11.232 1.00 1.23 C ATOM 1312 C SER A 81 -28.275 -14.507 -9.698 1.00 1.40 C ATOM 1313 O SER A 81 -28.628 -15.491 -9.042 1.00 1.92 O ATOM 1314 CB SER A 81 -28.054 -15.997 -11.742 1.00 1.52 C ATOM 1315 OG SER A 81 -29.340 -16.596 -11.870 1.00 2.18 O ATOM 0 H SER A 81 -26.171 -14.311 -11.865 1.00 1.01 H new ATOM 0 HA SER A 81 -29.080 -14.128 -11.658 1.00 1.23 H new ATOM 0 HB2 SER A 81 -27.546 -16.007 -12.706 1.00 1.52 H new ATOM 0 HB3 SER A 81 -27.443 -16.581 -11.054 1.00 1.52 H new ATOM 0 HG SER A 81 -29.242 -17.515 -12.197 1.00 2.18 H new ATOM 1321 N ASP A 82 -27.956 -13.331 -9.157 1.00 1.33 N ATOM 1322 CA ASP A 82 -27.986 -13.052 -7.721 1.00 1.76 C ATOM 1323 C ASP A 82 -28.747 -11.736 -7.486 1.00 1.31 C ATOM 1324 O ASP A 82 -28.575 -11.077 -6.460 1.00 1.74 O ATOM 1325 CB ASP A 82 -26.538 -12.943 -7.204 1.00 2.76 C ATOM 1326 CG ASP A 82 -26.463 -13.138 -5.692 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -26.799 -14.235 -5.208 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -26.053 -12.196 -4.989 1.00 3.98 O ATOM 0 H ASP A 82 -27.664 -12.530 -9.716 1.00 1.33 H new ATOM 0 HA ASP A 82 -28.493 -13.853 -7.184 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -25.918 -13.690 -7.699 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -26.130 -11.967 -7.466 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.590 -11.360 -8.459 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.392 -10.132 -8.401 1.00 1.53 C ATOM 1335 C GLY A 83 -29.584 -8.891 -8.802 1.00 1.31 C ATOM 1336 O GLY A 83 -30.102 -8.013 -9.525 1.00 1.88 O ATOM 0 H GLY A 83 -29.734 -11.902 -9.311 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.253 -10.231 -9.062 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -30.779 -10.000 -7.390 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.334 -8.819 -8.292 1.00 0.93 N ATOM 1341 CA ASN A 84 -27.410 -7.689 -8.522 1.00 0.71 C ATOM 1342 C ASN A 84 -27.280 -7.305 -10.007 1.00 0.62 C ATOM 1343 O ASN A 84 -27.059 -8.162 -10.871 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.026 -8.039 -7.948 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.006 -7.853 -6.428 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -25.932 -6.730 -5.934 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -26.078 -8.947 -5.680 1.00 1.32 N ATOM 0 H ASN A 84 -27.936 -9.551 -7.704 1.00 0.93 H new ATOM 0 HA ASN A 84 -27.829 -6.821 -8.013 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -25.774 -9.070 -8.196 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -25.266 -7.406 -8.407 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -26.073 -8.871 -4.663 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -26.138 -9.864 -6.122 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.420 -6.001 -10.278 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.329 -5.441 -11.635 1.00 0.55 C ATOM 1356 C GLU A 85 -26.243 -4.349 -11.687 1.00 0.47 C ATOM 1357 O GLU A 85 -26.260 -3.421 -10.871 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.688 -4.834 -12.009 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.629 -5.881 -12.607 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.793 -5.211 -13.326 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.548 -4.461 -14.292 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -31.958 -5.444 -12.944 1.00 1.39 O ATOM 0 H GLU A 85 -27.601 -5.300 -9.559 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.064 -6.230 -12.339 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.147 -4.396 -11.123 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.541 -4.025 -12.725 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.080 -6.514 -13.304 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.008 -6.530 -11.817 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.306 -4.453 -12.644 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.218 -3.464 -12.783 1.00 0.31 C ATOM 1371 C TYR A 86 -23.924 -3.125 -14.257 1.00 0.29 C ATOM 1372 O TYR A 86 -24.159 -3.939 -15.153 1.00 0.40 O ATOM 1373 CB TYR A 86 -22.916 -4.009 -12.170 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.024 -4.478 -10.735 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.132 -3.558 -9.707 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -22.983 -5.833 -10.442 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.204 -3.987 -8.395 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.049 -6.262 -9.127 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.161 -5.336 -8.108 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.213 -5.755 -6.801 1.00 0.77 O ATOM 0 H TYR A 86 -25.278 -5.207 -13.331 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.553 -2.566 -12.264 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.566 -4.841 -12.781 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.155 -3.231 -12.224 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.160 -2.502 -9.930 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.899 -6.555 -11.241 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -23.294 -3.267 -7.595 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.013 -7.317 -8.899 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.135 -5.995 -6.571 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.334 -1.941 -14.474 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.896 -1.477 -15.801 1.00 0.23 C ATOM 1392 C LEU A 87 -21.370 -1.451 -15.776 1.00 0.22 C ATOM 1393 O LEU A 87 -20.785 -0.817 -14.894 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.393 -0.056 -16.128 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.907 0.107 -16.019 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.329 1.467 -16.571 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.632 -1.002 -16.774 1.00 0.38 C ATOM 0 H LEU A 87 -23.145 -1.272 -13.728 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.303 -2.147 -16.558 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -22.911 0.652 -15.453 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.081 0.204 -17.139 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.179 0.043 -14.966 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.411 1.573 -16.489 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.842 2.258 -16.001 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.036 1.542 -17.618 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.709 -0.862 -16.680 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.352 -0.968 -17.827 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.354 -1.969 -16.355 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.725 -2.137 -16.714 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.261 -2.189 -16.764 1.00 0.19 C ATOM 1411 C PHE A 88 -18.730 -1.453 -17.992 1.00 0.20 C ATOM 1412 O PHE A 88 -19.094 -1.779 -19.119 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.792 -3.642 -16.775 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.813 -4.274 -15.401 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.902 -3.870 -14.440 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.746 -5.252 -15.098 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.922 -4.443 -13.182 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.766 -5.825 -13.838 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.855 -5.421 -12.879 1.00 0.22 C ATOM 0 H PHE A 88 -21.190 -2.666 -17.452 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.868 -1.693 -15.876 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.428 -4.220 -17.446 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.780 -3.689 -17.177 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.175 -3.106 -14.673 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.459 -5.568 -15.846 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.209 -4.128 -12.434 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.493 -6.588 -13.604 1.00 0.25 H new ATOM 0 HZ PHE A 88 -18.871 -5.867 -11.896 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.859 -0.467 -17.765 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.261 0.322 -18.851 1.00 0.26 C ATOM 1431 C GLN A 89 -15.813 -0.108 -19.082 1.00 0.22 C ATOM 1432 O GLN A 89 -14.990 -0.060 -18.159 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.310 1.819 -18.515 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.843 2.691 -19.695 1.00 0.52 C ATOM 1435 CD GLN A 89 -15.579 3.479 -19.335 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -14.548 2.792 -18.862 1.00 1.34 O flip ATOM 1437 NE2 GLN A 89 -15.538 4.699 -19.483 1.00 1.63 N flip ATOM 0 H GLN A 89 -17.549 -0.193 -16.833 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.835 0.145 -19.761 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.328 2.096 -18.240 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.681 2.016 -17.647 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.647 2.060 -20.562 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.638 3.382 -19.977 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -16.350 5.196 -19.850 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -14.692 5.214 -19.239 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.517 -0.491 -20.323 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.175 -0.906 -20.739 1.00 0.24 C ATOM 1448 C ALA A 90 -13.472 0.260 -21.442 1.00 0.27 C ATOM 1449 O ALA A 90 -14.102 1.270 -21.772 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.278 -2.104 -21.685 1.00 0.29 C ATOM 0 H ALA A 90 -16.206 -0.523 -21.075 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.595 -1.195 -19.862 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.279 -2.411 -21.993 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.770 -2.931 -21.173 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.859 -1.825 -22.564 1.00 0.29 H new ATOM 1456 N LYS A 91 -12.167 0.121 -21.672 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.378 1.171 -22.329 1.00 0.44 C ATOM 1458 C LYS A 91 -11.467 1.076 -23.858 1.00 0.49 C ATOM 1459 O LYS A 91 -11.337 2.085 -24.557 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.910 1.088 -21.880 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.185 -0.129 -22.470 1.00 1.26 C ATOM 1462 CD LYS A 91 -8.183 -0.720 -21.474 1.00 1.43 C ATOM 1463 CE LYS A 91 -7.349 -1.831 -22.116 1.00 1.86 C ATOM 1464 NZ LYS A 91 -6.390 -1.292 -23.124 1.00 2.29 N ATOM 0 H LYS A 91 -11.631 -0.707 -21.414 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.795 2.133 -22.031 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.390 1.998 -22.179 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.868 1.040 -20.792 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.915 -0.889 -22.749 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.665 0.163 -23.382 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -7.524 0.067 -21.108 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -8.717 -1.116 -20.610 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -6.800 -2.367 -21.342 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -8.011 -2.553 -22.594 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -5.710 -2.033 -23.387 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -6.911 -0.985 -23.970 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -5.879 -0.482 -22.719 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.670 -0.136 -24.377 1.00 0.49 N ATOM 1479 CA ASP A 92 -11.756 -0.360 -25.827 1.00 0.66 C ATOM 1480 C ASP A 92 -12.676 -1.550 -26.140 1.00 0.59 C ATOM 1481 O ASP A 92 -13.039 -2.326 -25.250 1.00 0.75 O ATOM 1482 CB ASP A 92 -10.340 -0.614 -26.389 1.00 0.84 C ATOM 1483 CG ASP A 92 -10.339 -0.692 -27.917 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -11.169 -0.014 -28.558 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -9.523 -1.448 -28.474 1.00 2.01 O ATOM 0 H ASP A 92 -11.779 -0.981 -23.816 1.00 0.49 H new ATOM 0 HA ASP A 92 -12.180 0.526 -26.299 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -9.672 0.185 -26.066 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.947 -1.544 -25.978 1.00 0.84 H new ATOM 1490 N ASP A 93 -13.023 -1.691 -27.424 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.882 -2.781 -27.924 1.00 0.63 C ATOM 1492 C ASP A 93 -13.219 -4.145 -27.687 1.00 0.49 C ATOM 1493 O ASP A 93 -13.878 -5.098 -27.272 1.00 0.54 O ATOM 1494 CB ASP A 93 -14.153 -2.573 -29.426 1.00 0.83 C ATOM 1495 CG ASP A 93 -15.011 -3.702 -30.007 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -16.251 -3.630 -29.903 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -14.440 -4.660 -30.572 1.00 2.13 O ATOM 0 H ASP A 93 -12.715 -1.049 -28.155 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.827 -2.764 -27.381 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -14.657 -1.618 -29.576 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -13.206 -2.522 -29.963 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.908 -4.223 -27.945 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.144 -5.465 -27.754 1.00 0.41 C ATOM 1504 C GLU A 94 -11.221 -5.931 -26.295 1.00 0.36 C ATOM 1505 O GLU A 94 -11.371 -7.123 -26.021 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.686 -5.255 -28.178 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.601 -4.730 -29.618 1.00 1.21 C ATOM 1508 CD GLU A 94 -8.281 -5.136 -30.260 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.286 -4.400 -30.102 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -8.237 -6.196 -30.915 1.00 2.59 O ATOM 0 H GLU A 94 -11.352 -3.440 -28.287 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.582 -6.243 -28.379 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.205 -4.549 -27.501 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.141 -6.196 -28.098 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -10.432 -5.123 -30.204 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.694 -3.644 -29.621 1.00 1.21 H new ATOM 1517 N GLU A 95 -11.156 -4.977 -25.363 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.249 -5.278 -23.933 1.00 0.29 C ATOM 1519 C GLU A 95 -12.675 -5.714 -23.583 1.00 0.24 C ATOM 1520 O GLU A 95 -12.878 -6.734 -22.923 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.858 -4.051 -23.104 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.305 -4.465 -21.734 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.638 -3.437 -20.658 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -11.008 -2.293 -20.999 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.522 -3.775 -19.462 1.00 1.30 O ATOM 0 H GLU A 95 -11.039 -3.986 -25.575 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.560 -6.090 -23.700 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -10.109 -3.469 -23.641 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.727 -3.407 -22.970 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.718 -5.434 -21.452 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.224 -4.586 -21.799 1.00 0.42 H new ATOM 1532 N MET A 96 -13.659 -4.937 -24.051 1.00 0.24 N ATOM 1533 CA MET A 96 -15.083 -5.223 -23.816 1.00 0.22 C ATOM 1534 C MET A 96 -15.443 -6.626 -24.319 1.00 0.22 C ATOM 1535 O MET A 96 -16.053 -7.415 -23.599 1.00 0.23 O ATOM 1536 CB MET A 96 -15.944 -4.169 -24.527 1.00 0.26 C ATOM 1537 CG MET A 96 -17.445 -4.367 -24.260 1.00 0.39 C ATOM 1538 SD MET A 96 -18.318 -5.056 -25.679 1.00 0.94 S ATOM 1539 CE MET A 96 -18.279 -3.658 -26.817 1.00 0.77 C ATOM 0 H MET A 96 -13.494 -4.095 -24.602 1.00 0.24 H new ATOM 0 HA MET A 96 -15.277 -5.184 -22.744 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.646 -3.175 -24.194 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.759 -4.215 -25.600 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.573 -5.028 -23.403 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.892 -3.409 -23.993 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.995 -3.824 -27.622 1.00 0.77 H new ATOM 0 HE2 MET A 96 -18.540 -2.745 -26.281 1.00 0.77 H new ATOM 0 HE3 MET A 96 -17.278 -3.559 -27.237 1.00 0.77 H new ATOM 1549 N ASN A 97 -15.040 -6.929 -25.554 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.297 -8.237 -26.167 1.00 0.28 C ATOM 1551 C ASN A 97 -14.662 -9.363 -25.333 1.00 0.26 C ATOM 1552 O ASN A 97 -15.300 -10.383 -25.069 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.751 -8.249 -27.604 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.224 -9.490 -28.359 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -14.423 -10.351 -28.721 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -16.521 -9.577 -28.612 1.00 1.24 N ATOM 0 H ASN A 97 -14.530 -6.282 -26.155 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.373 -8.410 -26.196 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -15.080 -7.352 -28.129 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.661 -8.225 -27.583 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -16.888 -10.379 -29.124 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -17.153 -8.842 -28.295 1.00 1.24 H new ATOM 1563 N THR A 98 -13.411 -9.153 -24.901 1.00 0.25 N ATOM 1564 CA THR A 98 -12.681 -10.131 -24.075 1.00 0.27 C ATOM 1565 C THR A 98 -13.397 -10.353 -22.728 1.00 0.23 C ATOM 1566 O THR A 98 -13.519 -11.490 -22.264 1.00 0.27 O ATOM 1567 CB THR A 98 -11.237 -9.641 -23.849 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.580 -9.480 -25.102 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.437 -10.614 -22.974 1.00 0.39 C ATOM 0 H THR A 98 -12.878 -8.309 -25.111 1.00 0.25 H new ATOM 0 HA THR A 98 -12.655 -11.086 -24.599 1.00 0.27 H new ATOM 0 HB THR A 98 -11.290 -8.684 -23.329 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.847 -8.627 -25.504 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.425 -10.233 -22.838 1.00 0.39 H new ATOM 0 HG22 THR A 98 -10.921 -10.712 -22.002 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.396 -11.589 -23.459 1.00 0.39 H new ATOM 1577 N TRP A 99 -13.879 -9.263 -22.117 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.593 -9.330 -20.831 1.00 0.20 C ATOM 1579 C TRP A 99 -15.896 -10.126 -20.980 1.00 0.21 C ATOM 1580 O TRP A 99 -16.153 -11.057 -20.216 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.896 -7.909 -20.310 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.766 -7.300 -19.526 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.041 -6.188 -19.864 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.241 -7.755 -18.258 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.111 -5.958 -18.894 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.201 -6.884 -17.902 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.548 -8.812 -17.395 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.477 -7.044 -16.734 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.826 -8.974 -16.220 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.799 -8.097 -15.893 1.00 0.29 C ATOM 0 H TRP A 99 -13.788 -8.319 -22.493 1.00 0.20 H new ATOM 0 HA TRP A 99 -13.954 -9.840 -20.110 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.129 -7.263 -21.156 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.786 -7.944 -19.681 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.183 -5.591 -20.753 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.437 -5.193 -18.910 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.344 -9.500 -17.642 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.678 -6.362 -16.483 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.065 -9.790 -15.554 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.247 -8.237 -14.975 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.710 -9.760 -21.977 1.00 0.21 N ATOM 1602 CA ILE A 100 -17.986 -10.442 -22.235 1.00 0.24 C ATOM 1603 C ILE A 100 -17.754 -11.918 -22.598 1.00 0.28 C ATOM 1604 O ILE A 100 -18.479 -12.794 -22.127 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.759 -9.719 -23.352 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.151 -8.304 -22.899 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.008 -10.510 -23.761 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.883 -7.546 -24.007 1.00 0.29 C ATOM 0 H ILE A 100 -16.508 -8.994 -22.620 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.584 -10.412 -21.324 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.105 -9.644 -24.221 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -19.788 -8.366 -22.017 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.257 -7.753 -22.608 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.534 -9.975 -24.552 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.713 -11.495 -24.123 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.666 -10.623 -22.899 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.146 -6.549 -23.653 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.235 -7.462 -24.880 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.790 -8.086 -24.279 1.00 0.29 H new ATOM 1620 N GLN A 101 -16.736 -12.194 -23.423 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.408 -13.571 -23.829 1.00 0.35 C ATOM 1622 C GLN A 101 -16.019 -14.423 -22.612 1.00 0.36 C ATOM 1623 O GLN A 101 -16.458 -15.568 -22.480 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.261 -13.566 -24.850 1.00 0.40 C ATOM 1625 CG GLN A 101 -15.782 -13.324 -26.269 1.00 0.48 C ATOM 1626 CD GLN A 101 -14.617 -13.158 -27.242 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -13.529 -12.731 -26.859 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -14.841 -13.501 -28.499 1.00 1.76 N ATOM 0 H GLN A 101 -16.124 -11.483 -23.824 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.294 -14.008 -24.289 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.541 -12.791 -24.587 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -14.733 -14.519 -24.812 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.408 -14.160 -26.581 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.409 -12.432 -26.286 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -15.758 -13.851 -28.776 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -14.097 -13.416 -29.191 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.209 -13.847 -21.715 1.00 0.32 N ATOM 1638 CA ALA A 102 -14.770 -14.536 -20.493 1.00 0.37 C ATOM 1639 C ALA A 102 -15.972 -14.815 -19.583 1.00 0.38 C ATOM 1640 O ALA A 102 -16.140 -15.930 -19.087 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.727 -13.689 -19.752 1.00 0.38 C ATOM 0 H ALA A 102 -14.842 -12.900 -21.813 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.314 -15.486 -20.771 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.410 -14.210 -18.849 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -12.865 -13.526 -20.399 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.164 -12.728 -19.482 1.00 0.38 H new ATOM 1647 N ILE A 103 -16.815 -13.797 -19.395 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.025 -13.906 -18.568 1.00 0.38 C ATOM 1649 C ILE A 103 -18.999 -14.937 -19.169 1.00 0.47 C ATOM 1650 O ILE A 103 -19.637 -15.697 -18.436 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.694 -12.524 -18.453 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.813 -11.568 -17.638 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.083 -12.626 -17.815 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.085 -10.105 -17.997 1.00 0.35 C ATOM 0 H ILE A 103 -16.681 -12.875 -19.810 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.749 -14.249 -17.571 1.00 0.38 H new ATOM 0 HB ILE A 103 -18.812 -12.130 -19.462 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -17.995 -11.722 -16.574 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.763 -11.798 -17.818 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.527 -11.633 -17.749 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.718 -13.267 -18.426 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -19.994 -13.051 -16.815 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.442 -9.458 -17.400 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.877 -9.945 -19.055 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.129 -9.868 -17.792 1.00 0.35 H new ATOM 1666 N SER A 104 -19.095 -14.969 -20.504 1.00 0.53 N ATOM 1667 CA SER A 104 -19.979 -15.914 -21.209 1.00 0.66 C ATOM 1668 C SER A 104 -19.500 -17.365 -21.055 1.00 0.72 C ATOM 1669 O SER A 104 -20.269 -18.301 -21.270 1.00 0.89 O ATOM 1670 CB SER A 104 -20.050 -15.558 -22.697 1.00 0.81 C ATOM 1671 OG SER A 104 -20.551 -14.237 -22.882 1.00 1.05 O ATOM 0 H SER A 104 -18.570 -14.350 -21.122 1.00 0.53 H new ATOM 0 HA SER A 104 -20.969 -15.833 -20.760 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.058 -15.641 -23.142 1.00 0.81 H new ATOM 0 HB3 SER A 104 -20.692 -16.270 -23.215 1.00 0.81 H new ATOM 0 HG SER A 104 -19.981 -13.601 -22.402 1.00 1.05 H new ATOM 1677 N SER A 105 -18.231 -17.550 -20.681 1.00 0.80 N ATOM 1678 CA SER A 105 -17.658 -18.891 -20.497 1.00 1.13 C ATOM 1679 C SER A 105 -17.972 -19.453 -19.100 1.00 1.23 C ATOM 1680 O SER A 105 -17.595 -20.583 -18.791 1.00 1.61 O ATOM 1681 CB SER A 105 -16.138 -18.838 -20.717 1.00 1.48 C ATOM 1682 OG SER A 105 -15.827 -18.253 -21.980 1.00 1.63 O ATOM 0 H SER A 105 -17.578 -16.788 -20.499 1.00 0.80 H new ATOM 0 HA SER A 105 -18.111 -19.558 -21.231 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.671 -18.260 -19.919 1.00 1.48 H new ATOM 0 HB3 SER A 105 -15.724 -19.845 -20.666 1.00 1.48 H new ATOM 0 HG SER A 105 -16.071 -17.304 -21.970 1.00 1.63 H new ATOM 1688 N ALA A 106 -18.668 -18.673 -18.268 1.00 1.29 N ATOM 1689 CA ALA A 106 -19.037 -19.103 -16.916 1.00 1.59 C ATOM 1690 C ALA A 106 -20.413 -19.766 -16.934 1.00 2.40 C ATOM 1691 O ALA A 106 -20.564 -20.852 -16.343 1.00 3.00 O ATOM 1692 CB ALA A 106 -19.046 -17.901 -15.967 1.00 1.90 C ATOM 1693 OXT ALA A 106 -21.349 -19.202 -17.541 1.00 3.05 O ATOM 0 H ALA A 106 -18.989 -17.735 -18.509 1.00 1.29 H new ATOM 0 HA ALA A 106 -18.302 -19.826 -16.563 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -19.321 -18.230 -14.965 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -18.054 -17.450 -15.941 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.769 -17.165 -16.319 1.00 1.90 H new