USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 738 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 55 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 59 GLN : amide:sc= -1.69 K(o=-1.7,f=-2.3!) USER MOD Set 2.1: A 18 ASN : amide:sc= -0.953 K(o=-0.95,f=-2!) USER MOD Set 2.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.2!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 137:sc= -0.32 (180deg=-2.11!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00866) USER MOD Single : A 23 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-1.1) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 51:sc= 0.458 USER MOD Single : A 35 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.036) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.32) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -1.37 F(o=-2.5!,f=-1.4) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.11 K(o=-0.11,f=-2.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0.0621 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.15) USER MOD Single : A 82 SER OG : rot -50:sc= 0.521 USER MOD Single : A 88 ASN : amide:sc=-0.00227 K(o=-0.0023,f=-0.54) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.338 12.163 -4.633 1.00 0.00 N ATOM 2 CA ALA A 1 -17.183 11.263 -5.812 1.00 0.00 C ATOM 3 C ALA A 1 -15.695 11.016 -6.074 1.00 0.00 C ATOM 4 O ALA A 1 -15.214 9.905 -5.966 1.00 0.00 O ATOM 5 CB ALA A 1 -17.815 11.919 -7.041 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.349 12.331 -4.455 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.909 11.717 -3.797 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.865 13.069 -4.824 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.679 10.313 -5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.702 11.262 -7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.875 12.095 -6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.319 12.869 -7.242 1.00 0.00 H new ATOM 13 N ARG A 2 -14.967 12.048 -6.420 1.00 0.00 N ATOM 14 CA ARG A 2 -13.509 11.887 -6.696 1.00 0.00 C ATOM 15 C ARG A 2 -12.700 12.343 -5.471 1.00 0.00 C ATOM 16 O ARG A 2 -12.727 13.509 -5.125 1.00 0.00 O ATOM 17 CB ARG A 2 -13.128 12.747 -7.903 1.00 0.00 C ATOM 18 CG ARG A 2 -13.728 12.139 -9.173 1.00 0.00 C ATOM 19 CD ARG A 2 -12.687 11.252 -9.858 1.00 0.00 C ATOM 20 NE ARG A 2 -13.377 10.216 -10.677 1.00 0.00 N ATOM 21 CZ ARG A 2 -13.579 10.416 -11.949 1.00 0.00 C ATOM 22 NH1 ARG A 2 -14.196 11.494 -12.350 1.00 0.00 N ATOM 23 NH2 ARG A 2 -13.164 9.539 -12.823 1.00 0.00 N ATOM 0 H ARG A 2 -15.323 12.998 -6.523 1.00 0.00 H new ATOM 0 HA ARG A 2 -13.291 10.840 -6.905 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -13.493 13.765 -7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -12.043 12.806 -7.993 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -14.613 11.553 -8.925 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -14.049 12.930 -9.851 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -12.038 11.857 -10.490 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.051 10.776 -9.111 1.00 0.00 H new ATOM 0 HE ARG A 2 -13.692 9.349 -10.242 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.520 12.180 -11.668 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.354 11.651 -13.345 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.681 8.697 -12.510 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.323 9.696 -13.818 1.00 0.00 H new ATOM 37 N PRO A 3 -12.004 11.410 -4.851 1.00 0.00 N ATOM 38 CA PRO A 3 -11.206 11.803 -3.663 1.00 0.00 C ATOM 39 C PRO A 3 -9.815 12.280 -4.087 1.00 0.00 C ATOM 40 O PRO A 3 -9.302 11.894 -5.123 1.00 0.00 O ATOM 41 CB PRO A 3 -11.105 10.532 -2.821 1.00 0.00 C ATOM 42 CG PRO A 3 -11.330 9.357 -3.786 1.00 0.00 C ATOM 43 CD PRO A 3 -12.043 9.932 -5.021 1.00 0.00 C ATOM 0 HA PRO A 3 -11.664 12.625 -3.112 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.129 10.460 -2.341 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.851 10.531 -2.027 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.382 8.898 -4.065 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.934 8.581 -3.317 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.541 9.629 -5.940 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.070 9.571 -5.085 1.00 0.00 H new ATOM 51 N ALA A 4 -9.205 13.121 -3.292 1.00 0.00 N ATOM 52 CA ALA A 4 -7.848 13.640 -3.634 1.00 0.00 C ATOM 53 C ALA A 4 -6.802 12.522 -3.524 1.00 0.00 C ATOM 54 O ALA A 4 -5.681 12.682 -3.966 1.00 0.00 O ATOM 55 CB ALA A 4 -7.480 14.775 -2.678 1.00 0.00 C ATOM 0 H ALA A 4 -9.591 13.472 -2.416 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.862 14.009 -4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.489 15.154 -2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.210 15.579 -2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.478 14.402 -1.654 1.00 0.00 H new ATOM 61 N PHE A 5 -7.147 11.397 -2.941 1.00 0.00 N ATOM 62 CA PHE A 5 -6.157 10.285 -2.811 1.00 0.00 C ATOM 63 C PHE A 5 -6.065 9.529 -4.138 1.00 0.00 C ATOM 64 O PHE A 5 -4.988 9.210 -4.608 1.00 0.00 O ATOM 65 CB PHE A 5 -6.602 9.329 -1.704 1.00 0.00 C ATOM 66 CG PHE A 5 -5.447 8.437 -1.313 1.00 0.00 C ATOM 67 CD1 PHE A 5 -4.299 8.993 -0.738 1.00 0.00 C ATOM 68 CD2 PHE A 5 -5.525 7.056 -1.525 1.00 0.00 C ATOM 69 CE1 PHE A 5 -3.227 8.167 -0.374 1.00 0.00 C ATOM 70 CE2 PHE A 5 -4.454 6.230 -1.160 1.00 0.00 C ATOM 71 CZ PHE A 5 -3.305 6.786 -0.585 1.00 0.00 C ATOM 0 H PHE A 5 -8.070 11.203 -2.551 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.179 10.696 -2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.948 9.894 -0.838 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.442 8.725 -2.047 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.239 10.059 -0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.411 6.627 -1.970 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.341 8.596 0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.515 5.164 -1.322 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.479 6.149 -0.304 1.00 0.00 H new ATOM 81 N VAL A 6 -7.189 9.245 -4.746 1.00 0.00 N ATOM 82 CA VAL A 6 -7.178 8.513 -6.047 1.00 0.00 C ATOM 83 C VAL A 6 -6.669 9.450 -7.146 1.00 0.00 C ATOM 84 O VAL A 6 -6.058 9.019 -8.106 1.00 0.00 O ATOM 85 CB VAL A 6 -8.600 8.044 -6.381 1.00 0.00 C ATOM 86 CG1 VAL A 6 -8.596 7.259 -7.697 1.00 0.00 C ATOM 87 CG2 VAL A 6 -9.115 7.141 -5.257 1.00 0.00 C ATOM 0 H VAL A 6 -8.115 9.489 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.522 7.645 -5.977 1.00 0.00 H new ATOM 0 HB VAL A 6 -9.248 8.914 -6.483 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.609 6.929 -7.927 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.231 7.898 -8.501 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.945 6.390 -7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.125 6.807 -5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.460 6.275 -5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.126 7.697 -4.320 1.00 0.00 H new ATOM 97 N ASN A 7 -6.924 10.727 -7.013 1.00 0.00 N ATOM 98 CA ASN A 7 -6.464 11.699 -8.049 1.00 0.00 C ATOM 99 C ASN A 7 -4.946 11.886 -7.957 1.00 0.00 C ATOM 100 O ASN A 7 -4.256 11.894 -8.959 1.00 0.00 O ATOM 101 CB ASN A 7 -7.155 13.044 -7.820 1.00 0.00 C ATOM 102 CG ASN A 7 -8.655 12.899 -8.083 1.00 0.00 C ATOM 103 OD1 ASN A 7 -9.273 11.954 -7.635 1.00 0.00 O ATOM 104 ND2 ASN A 7 -9.270 13.802 -8.795 1.00 0.00 N ATOM 0 H ASN A 7 -7.432 11.138 -6.230 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.717 11.315 -9.038 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.985 13.383 -6.798 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.731 13.800 -8.481 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -10.270 13.715 -8.976 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.751 14.595 -9.171 1.00 0.00 H new ATOM 111 N LYS A 8 -4.425 12.045 -6.767 1.00 0.00 N ATOM 112 CA LYS A 8 -2.951 12.244 -6.609 1.00 0.00 C ATOM 113 C LYS A 8 -2.207 10.935 -6.908 1.00 0.00 C ATOM 114 O LYS A 8 -1.045 10.945 -7.267 1.00 0.00 O ATOM 115 CB LYS A 8 -2.642 12.718 -5.177 1.00 0.00 C ATOM 116 CG LYS A 8 -3.013 11.636 -4.155 1.00 0.00 C ATOM 117 CD LYS A 8 -3.122 12.262 -2.760 1.00 0.00 C ATOM 118 CE LYS A 8 -1.754 12.787 -2.324 1.00 0.00 C ATOM 119 NZ LYS A 8 -1.918 13.678 -1.139 1.00 0.00 N ATOM 0 H LYS A 8 -4.957 12.046 -5.897 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.615 13.004 -7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.583 12.960 -5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.196 13.632 -4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.959 11.170 -4.431 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.259 10.849 -4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.848 13.075 -2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.483 11.522 -2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.095 11.955 -2.078 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.285 13.334 -3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.988 14.035 -0.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.533 14.479 -1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.348 13.142 -0.358 1.00 0.00 H new ATOM 133 N LEU A 9 -2.866 9.812 -6.755 1.00 0.00 N ATOM 134 CA LEU A 9 -2.200 8.504 -7.021 1.00 0.00 C ATOM 135 C LEU A 9 -2.096 8.257 -8.530 1.00 0.00 C ATOM 136 O LEU A 9 -1.273 7.483 -8.975 1.00 0.00 O ATOM 137 CB LEU A 9 -3.017 7.380 -6.372 1.00 0.00 C ATOM 138 CG LEU A 9 -2.306 6.033 -6.559 1.00 0.00 C ATOM 139 CD1 LEU A 9 -0.929 6.070 -5.884 1.00 0.00 C ATOM 140 CD2 LEU A 9 -3.157 4.926 -5.930 1.00 0.00 C ATOM 0 H LEU A 9 -3.839 9.748 -6.456 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.195 8.523 -6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.151 7.584 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.011 7.340 -6.817 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.173 5.837 -7.623 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.431 5.110 -6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.325 6.860 -6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.051 6.266 -4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.658 3.966 -6.059 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.287 5.127 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.132 4.896 -6.416 1.00 0.00 H new ATOM 152 N TRP A 10 -2.921 8.899 -9.320 1.00 0.00 N ATOM 153 CA TRP A 10 -2.862 8.691 -10.796 1.00 0.00 C ATOM 154 C TRP A 10 -1.512 9.180 -11.345 1.00 0.00 C ATOM 155 O TRP A 10 -1.136 8.850 -12.454 1.00 0.00 O ATOM 156 CB TRP A 10 -3.997 9.475 -11.451 1.00 0.00 C ATOM 157 CG TRP A 10 -5.178 8.582 -11.688 1.00 0.00 C ATOM 158 CD1 TRP A 10 -6.139 8.825 -12.602 1.00 0.00 C ATOM 159 CD2 TRP A 10 -5.547 7.327 -11.029 1.00 0.00 C ATOM 160 NE1 TRP A 10 -7.073 7.806 -12.558 1.00 0.00 N ATOM 161 CE2 TRP A 10 -6.754 6.861 -11.606 1.00 0.00 C ATOM 162 CE3 TRP A 10 -4.966 6.554 -10.004 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -7.360 5.676 -11.184 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -5.575 5.361 -9.578 1.00 0.00 C ATOM 165 CH2 TRP A 10 -6.769 4.924 -10.167 1.00 0.00 C ATOM 0 H TRP A 10 -3.632 9.558 -9.004 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.966 7.629 -11.018 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -4.286 10.310 -10.813 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.657 9.898 -12.396 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.174 9.679 -13.263 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -7.897 7.759 -13.157 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -4.046 6.881 -9.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -8.280 5.343 -11.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -5.120 4.777 -8.792 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -7.232 4.006 -9.835 1.00 0.00 H new ATOM 176 N SER A 11 -0.782 9.965 -10.583 1.00 0.00 N ATOM 177 CA SER A 11 0.537 10.469 -11.069 1.00 0.00 C ATOM 178 C SER A 11 1.665 9.646 -10.438 1.00 0.00 C ATOM 179 O SER A 11 2.717 9.468 -11.025 1.00 0.00 O ATOM 180 CB SER A 11 0.695 11.939 -10.675 1.00 0.00 C ATOM 181 OG SER A 11 1.571 12.580 -11.591 1.00 0.00 O ATOM 0 H SER A 11 -1.046 10.275 -9.648 1.00 0.00 H new ATOM 0 HA SER A 11 0.585 10.375 -12.154 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.276 12.434 -10.676 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.090 12.015 -9.662 1.00 0.00 H new ATOM 0 HG SER A 11 1.673 13.522 -11.342 1.00 0.00 H new ATOM 187 N MET A 12 1.453 9.145 -9.247 1.00 0.00 N ATOM 188 CA MET A 12 2.508 8.332 -8.566 1.00 0.00 C ATOM 189 C MET A 12 2.671 6.987 -9.286 1.00 0.00 C ATOM 190 O MET A 12 3.765 6.467 -9.403 1.00 0.00 O ATOM 191 CB MET A 12 2.096 8.090 -7.104 1.00 0.00 C ATOM 192 CG MET A 12 3.063 8.813 -6.160 1.00 0.00 C ATOM 193 SD MET A 12 2.968 8.070 -4.512 1.00 0.00 S ATOM 194 CE MET A 12 3.731 6.481 -4.929 1.00 0.00 C ATOM 0 H MET A 12 0.591 9.264 -8.715 1.00 0.00 H new ATOM 0 HA MET A 12 3.456 8.869 -8.594 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.079 8.448 -6.940 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.096 7.021 -6.890 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.081 8.745 -6.543 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.813 9.873 -6.108 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.435 6.199 -4.146 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.958 5.717 -5.015 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.260 6.569 -5.878 1.00 0.00 H new ATOM 204 N VAL A 13 1.590 6.423 -9.766 1.00 0.00 N ATOM 205 CA VAL A 13 1.674 5.109 -10.477 1.00 0.00 C ATOM 206 C VAL A 13 1.903 5.336 -11.982 1.00 0.00 C ATOM 207 O VAL A 13 1.857 4.405 -12.764 1.00 0.00 O ATOM 208 CB VAL A 13 0.370 4.319 -10.279 1.00 0.00 C ATOM 209 CG1 VAL A 13 0.606 2.849 -10.642 1.00 0.00 C ATOM 210 CG2 VAL A 13 -0.089 4.403 -8.816 1.00 0.00 C ATOM 0 H VAL A 13 0.652 6.816 -9.696 1.00 0.00 H new ATOM 0 HA VAL A 13 2.509 4.543 -10.064 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.400 4.747 -10.922 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.317 2.287 -10.502 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.920 2.777 -11.683 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.383 2.436 -9.999 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.013 3.839 -8.692 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.681 3.985 -8.168 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.261 5.445 -8.548 1.00 0.00 H new ATOM 220 N ASN A 14 2.160 6.557 -12.397 1.00 0.00 N ATOM 221 CA ASN A 14 2.404 6.820 -13.848 1.00 0.00 C ATOM 222 C ASN A 14 3.628 6.026 -14.322 1.00 0.00 C ATOM 223 O ASN A 14 3.807 5.800 -15.502 1.00 0.00 O ATOM 224 CB ASN A 14 2.654 8.314 -14.065 1.00 0.00 C ATOM 225 CG ASN A 14 2.092 8.732 -15.426 1.00 0.00 C ATOM 226 OD1 ASN A 14 2.831 8.895 -16.377 1.00 0.00 O ATOM 227 ND2 ASN A 14 0.807 8.912 -15.559 1.00 0.00 N ATOM 0 H ASN A 14 2.210 7.378 -11.793 1.00 0.00 H new ATOM 0 HA ASN A 14 1.529 6.510 -14.418 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.181 8.892 -13.271 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.722 8.525 -14.020 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.422 9.190 -16.462 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.187 8.775 -14.760 1.00 0.00 H new ATOM 234 N ASP A 15 4.471 5.599 -13.406 1.00 0.00 N ATOM 235 CA ASP A 15 5.687 4.813 -13.788 1.00 0.00 C ATOM 236 C ASP A 15 6.668 5.705 -14.551 1.00 0.00 C ATOM 237 O ASP A 15 7.476 5.226 -15.322 1.00 0.00 O ATOM 238 CB ASP A 15 5.298 3.610 -14.664 1.00 0.00 C ATOM 239 CG ASP A 15 4.099 2.883 -14.045 1.00 0.00 C ATOM 240 OD1 ASP A 15 4.001 2.874 -12.829 1.00 0.00 O ATOM 241 OD2 ASP A 15 3.300 2.351 -14.799 1.00 0.00 O ATOM 0 H ASP A 15 4.365 5.764 -12.405 1.00 0.00 H new ATOM 0 HA ASP A 15 6.162 4.448 -12.877 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.051 3.947 -15.671 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.142 2.926 -14.755 1.00 0.00 H new ATOM 246 N LYS A 16 6.613 6.999 -14.336 1.00 0.00 N ATOM 247 CA LYS A 16 7.556 7.918 -15.040 1.00 0.00 C ATOM 248 C LYS A 16 8.803 8.115 -14.174 1.00 0.00 C ATOM 249 O LYS A 16 9.916 7.903 -14.619 1.00 0.00 O ATOM 250 CB LYS A 16 6.876 9.266 -15.291 1.00 0.00 C ATOM 251 CG LYS A 16 7.576 9.983 -16.450 1.00 0.00 C ATOM 252 CD LYS A 16 6.870 9.651 -17.777 1.00 0.00 C ATOM 253 CE LYS A 16 6.333 10.930 -18.433 1.00 0.00 C ATOM 254 NZ LYS A 16 6.908 11.060 -19.803 1.00 0.00 N ATOM 0 H LYS A 16 5.955 7.455 -13.704 1.00 0.00 H new ATOM 0 HA LYS A 16 7.843 7.486 -15.999 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.822 9.116 -15.526 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.918 9.880 -14.391 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.565 11.060 -16.282 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.622 9.679 -16.499 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.566 9.154 -18.452 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.050 8.956 -17.596 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.245 10.897 -18.485 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.597 11.800 -17.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.546 11.926 -20.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.945 11.110 -19.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.635 10.235 -20.374 1.00 0.00 H new ATOM 268 N SER A 17 8.621 8.505 -12.936 1.00 0.00 N ATOM 269 CA SER A 17 9.790 8.702 -12.029 1.00 0.00 C ATOM 270 C SER A 17 10.054 7.394 -11.282 1.00 0.00 C ATOM 271 O SER A 17 11.186 6.999 -11.080 1.00 0.00 O ATOM 272 CB SER A 17 9.483 9.817 -11.028 1.00 0.00 C ATOM 273 OG SER A 17 9.879 11.064 -11.583 1.00 0.00 O ATOM 0 H SER A 17 7.711 8.695 -12.516 1.00 0.00 H new ATOM 0 HA SER A 17 10.669 8.982 -12.609 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.418 9.830 -10.795 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.012 9.638 -10.092 1.00 0.00 H new ATOM 0 HG SER A 17 9.683 11.783 -10.946 1.00 0.00 H new ATOM 279 N ASN A 18 9.007 6.714 -10.889 1.00 0.00 N ATOM 280 CA ASN A 18 9.171 5.413 -10.170 1.00 0.00 C ATOM 281 C ASN A 18 8.905 4.287 -11.173 1.00 0.00 C ATOM 282 O ASN A 18 8.157 3.363 -10.909 1.00 0.00 O ATOM 283 CB ASN A 18 8.168 5.311 -9.005 1.00 0.00 C ATOM 284 CG ASN A 18 8.038 6.658 -8.286 1.00 0.00 C ATOM 285 OD1 ASN A 18 8.909 7.046 -7.533 1.00 0.00 O ATOM 286 ND2 ASN A 18 6.975 7.390 -8.491 1.00 0.00 N ATOM 0 H ASN A 18 8.041 7.005 -11.036 1.00 0.00 H new ATOM 0 HA ASN A 18 10.179 5.339 -9.761 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.194 4.999 -9.383 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.497 4.547 -8.301 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.876 8.289 -8.019 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.245 7.063 -9.123 1.00 0.00 H new ATOM 293 N GLU A 19 9.500 4.379 -12.334 1.00 0.00 N ATOM 294 CA GLU A 19 9.284 3.342 -13.385 1.00 0.00 C ATOM 295 C GLU A 19 9.862 1.991 -12.941 1.00 0.00 C ATOM 296 O GLU A 19 9.496 0.958 -13.470 1.00 0.00 O ATOM 297 CB GLU A 19 9.968 3.794 -14.682 1.00 0.00 C ATOM 298 CG GLU A 19 9.636 2.813 -15.815 1.00 0.00 C ATOM 299 CD GLU A 19 10.847 1.922 -16.099 1.00 0.00 C ATOM 300 OE1 GLU A 19 11.464 1.472 -15.147 1.00 0.00 O ATOM 301 OE2 GLU A 19 11.139 1.705 -17.264 1.00 0.00 O ATOM 0 H GLU A 19 10.131 5.135 -12.600 1.00 0.00 H new ATOM 0 HA GLU A 19 8.213 3.221 -13.549 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.636 4.797 -14.948 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.047 3.844 -14.536 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.778 2.200 -15.538 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.358 3.362 -16.714 1.00 0.00 H new ATOM 308 N LYS A 20 10.760 1.982 -11.982 1.00 0.00 N ATOM 309 CA LYS A 20 11.350 0.686 -11.523 1.00 0.00 C ATOM 310 C LYS A 20 10.884 0.362 -10.096 1.00 0.00 C ATOM 311 O LYS A 20 11.494 -0.439 -9.411 1.00 0.00 O ATOM 312 CB LYS A 20 12.876 0.784 -11.542 1.00 0.00 C ATOM 313 CG LYS A 20 13.475 -0.622 -11.597 1.00 0.00 C ATOM 314 CD LYS A 20 13.482 -1.118 -13.044 1.00 0.00 C ATOM 315 CE LYS A 20 13.981 -2.563 -13.088 1.00 0.00 C ATOM 316 NZ LYS A 20 12.873 -3.483 -12.712 1.00 0.00 N ATOM 0 H LYS A 20 11.107 2.812 -11.501 1.00 0.00 H new ATOM 0 HA LYS A 20 11.020 -0.106 -12.195 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.203 1.365 -12.404 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.229 1.307 -10.653 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.490 -0.612 -11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.895 -1.301 -10.972 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.479 -1.056 -13.465 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.124 -0.482 -13.654 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.344 -2.803 -14.087 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.821 -2.690 -12.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.192 -4.468 -12.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.592 -3.304 -11.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.059 -3.321 -13.339 1.00 0.00 H new ATOM 330 N PHE A 21 9.819 0.977 -9.642 1.00 0.00 N ATOM 331 CA PHE A 21 9.328 0.702 -8.257 1.00 0.00 C ATOM 332 C PHE A 21 7.803 0.480 -8.238 1.00 0.00 C ATOM 333 O PHE A 21 7.252 0.092 -7.225 1.00 0.00 O ATOM 334 CB PHE A 21 9.677 1.888 -7.357 1.00 0.00 C ATOM 335 CG PHE A 21 11.171 2.108 -7.367 1.00 0.00 C ATOM 336 CD1 PHE A 21 12.014 1.223 -6.686 1.00 0.00 C ATOM 337 CD2 PHE A 21 11.713 3.200 -8.057 1.00 0.00 C ATOM 338 CE1 PHE A 21 13.398 1.430 -6.693 1.00 0.00 C ATOM 339 CE2 PHE A 21 13.097 3.406 -8.064 1.00 0.00 C ATOM 340 CZ PHE A 21 13.940 2.520 -7.383 1.00 0.00 C ATOM 0 H PHE A 21 9.270 1.656 -10.170 1.00 0.00 H new ATOM 0 HA PHE A 21 9.810 -0.206 -7.895 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.165 2.785 -7.705 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.334 1.699 -6.340 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.597 0.380 -6.155 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.063 3.883 -8.584 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.048 0.748 -6.165 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.515 4.249 -8.595 1.00 0.00 H new ATOM 0 HZ PHE A 21 15.008 2.678 -7.390 1.00 0.00 H new ATOM 350 N ILE A 22 7.115 0.716 -9.334 1.00 0.00 N ATOM 351 CA ILE A 22 5.636 0.514 -9.350 1.00 0.00 C ATOM 352 C ILE A 22 5.134 0.554 -10.800 1.00 0.00 C ATOM 353 O ILE A 22 5.577 1.362 -11.594 1.00 0.00 O ATOM 354 CB ILE A 22 4.965 1.617 -8.516 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.455 1.377 -8.468 1.00 0.00 C ATOM 356 CG2 ILE A 22 5.244 2.994 -9.131 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.855 2.147 -7.290 1.00 0.00 C ATOM 0 H ILE A 22 7.517 1.039 -10.214 1.00 0.00 H new ATOM 0 HA ILE A 22 5.386 -0.455 -8.919 1.00 0.00 H new ATOM 0 HB ILE A 22 5.373 1.591 -7.506 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.994 1.701 -9.401 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.248 0.312 -8.364 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.763 3.765 -8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.319 3.171 -9.155 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.849 3.026 -10.146 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.779 1.977 -7.254 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.308 1.801 -6.361 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.050 3.212 -7.414 1.00 0.00 H new ATOM 369 N HIS A 23 4.218 -0.318 -11.150 1.00 0.00 N ATOM 370 CA HIS A 23 3.693 -0.337 -12.550 1.00 0.00 C ATOM 371 C HIS A 23 2.262 -0.881 -12.571 1.00 0.00 C ATOM 372 O HIS A 23 1.764 -1.400 -11.586 1.00 0.00 O ATOM 373 CB HIS A 23 4.590 -1.216 -13.435 1.00 0.00 C ATOM 374 CG HIS A 23 4.866 -2.528 -12.751 1.00 0.00 C ATOM 375 ND1 HIS A 23 6.135 -2.883 -12.324 1.00 0.00 N ATOM 376 CD2 HIS A 23 4.048 -3.578 -12.412 1.00 0.00 C ATOM 377 CE1 HIS A 23 6.048 -4.101 -11.759 1.00 0.00 C ATOM 378 NE2 HIS A 23 4.798 -4.570 -11.786 1.00 0.00 N ATOM 0 H HIS A 23 3.813 -1.016 -10.526 1.00 0.00 H new ATOM 0 HA HIS A 23 3.693 0.682 -12.936 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.105 -1.393 -14.395 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.528 -0.700 -13.641 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.986 -3.627 -12.602 1.00 0.00 H new ATOM 0 HE1 HIS A 23 6.886 -4.634 -11.336 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.464 -5.464 -11.425 1.00 0.00 H new ATOM 386 N TRP A 24 1.600 -0.759 -13.695 1.00 0.00 N ATOM 387 CA TRP A 24 0.198 -1.253 -13.815 1.00 0.00 C ATOM 388 C TRP A 24 0.211 -2.722 -14.249 1.00 0.00 C ATOM 389 O TRP A 24 1.191 -3.213 -14.775 1.00 0.00 O ATOM 390 CB TRP A 24 -0.540 -0.437 -14.882 1.00 0.00 C ATOM 391 CG TRP A 24 -0.850 0.939 -14.373 1.00 0.00 C ATOM 392 CD1 TRP A 24 -0.011 1.723 -13.656 1.00 0.00 C ATOM 393 CD2 TRP A 24 -2.076 1.707 -14.547 1.00 0.00 C ATOM 394 NE1 TRP A 24 -0.648 2.919 -13.376 1.00 0.00 N ATOM 395 CE2 TRP A 24 -1.923 2.957 -13.903 1.00 0.00 C ATOM 396 CE3 TRP A 24 -3.296 1.439 -15.193 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -2.944 3.909 -13.901 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -4.325 2.393 -15.194 1.00 0.00 C ATOM 399 CH2 TRP A 24 -4.150 3.626 -14.549 1.00 0.00 C ATOM 0 H TRP A 24 1.977 -0.333 -14.542 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.302 -1.151 -12.852 1.00 0.00 H new ATOM 0 HB2 TRP A 24 0.071 -0.369 -15.782 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.464 -0.944 -15.161 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.991 1.458 -13.352 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.226 3.681 -12.844 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.442 0.492 -15.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.803 4.857 -13.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.257 2.176 -15.694 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -4.946 4.356 -14.553 1.00 0.00 H new ATOM 410 N SER A 25 -0.878 -3.421 -14.042 1.00 0.00 N ATOM 411 CA SER A 25 -0.945 -4.856 -14.448 1.00 0.00 C ATOM 412 C SER A 25 -1.474 -4.953 -15.883 1.00 0.00 C ATOM 413 O SER A 25 -2.420 -4.283 -16.251 1.00 0.00 O ATOM 414 CB SER A 25 -1.886 -5.609 -13.507 1.00 0.00 C ATOM 415 OG SER A 25 -1.522 -6.983 -13.480 1.00 0.00 O ATOM 0 H SER A 25 -1.726 -3.056 -13.607 1.00 0.00 H new ATOM 0 HA SER A 25 0.050 -5.297 -14.395 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.831 -5.186 -12.504 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.918 -5.501 -13.842 1.00 0.00 H new ATOM 0 HG SER A 25 -2.122 -7.469 -12.876 1.00 0.00 H new ATOM 421 N THR A 26 -0.870 -5.786 -16.693 1.00 0.00 N ATOM 422 CA THR A 26 -1.329 -5.936 -18.107 1.00 0.00 C ATOM 423 C THR A 26 -2.710 -6.594 -18.133 1.00 0.00 C ATOM 424 O THR A 26 -2.897 -7.678 -17.615 1.00 0.00 O ATOM 425 CB THR A 26 -0.336 -6.812 -18.875 1.00 0.00 C ATOM 426 OG1 THR A 26 0.981 -6.315 -18.681 1.00 0.00 O ATOM 427 CG2 THR A 26 -0.677 -6.792 -20.366 1.00 0.00 C ATOM 0 H THR A 26 -0.075 -6.371 -16.434 1.00 0.00 H new ATOM 0 HA THR A 26 -1.387 -4.952 -18.573 1.00 0.00 H new ATOM 0 HB THR A 26 -0.396 -7.836 -18.506 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.618 -6.876 -19.171 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.032 -7.417 -20.910 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.686 -7.176 -20.514 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.620 -5.769 -20.739 1.00 0.00 H new ATOM 435 N SER A 27 -3.678 -5.944 -18.732 1.00 0.00 N ATOM 436 CA SER A 27 -5.056 -6.524 -18.800 1.00 0.00 C ATOM 437 C SER A 27 -5.572 -6.797 -17.385 1.00 0.00 C ATOM 438 O SER A 27 -5.373 -7.866 -16.840 1.00 0.00 O ATOM 439 CB SER A 27 -5.022 -7.832 -19.593 1.00 0.00 C ATOM 440 OG SER A 27 -4.732 -7.549 -20.956 1.00 0.00 O ATOM 0 H SER A 27 -3.572 -5.033 -19.179 1.00 0.00 H new ATOM 0 HA SER A 27 -5.720 -5.816 -19.295 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.267 -8.501 -19.180 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.981 -8.344 -19.512 1.00 0.00 H new ATOM 0 HG SER A 27 -4.708 -8.386 -21.466 1.00 0.00 H new ATOM 446 N GLY A 28 -6.230 -5.835 -16.788 1.00 0.00 N ATOM 447 CA GLY A 28 -6.758 -6.031 -15.406 1.00 0.00 C ATOM 448 C GLY A 28 -6.833 -4.682 -14.689 1.00 0.00 C ATOM 449 O GLY A 28 -7.648 -4.486 -13.807 1.00 0.00 O ATOM 0 H GLY A 28 -6.424 -4.922 -17.200 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.746 -6.489 -15.445 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.112 -6.713 -14.853 1.00 0.00 H new ATOM 453 N GLU A 29 -5.987 -3.749 -15.058 1.00 0.00 N ATOM 454 CA GLU A 29 -6.001 -2.406 -14.399 1.00 0.00 C ATOM 455 C GLU A 29 -5.750 -2.572 -12.898 1.00 0.00 C ATOM 456 O GLU A 29 -6.671 -2.767 -12.128 1.00 0.00 O ATOM 457 CB GLU A 29 -7.364 -1.741 -14.619 1.00 0.00 C ATOM 458 CG GLU A 29 -7.324 -0.301 -14.102 1.00 0.00 C ATOM 459 CD GLU A 29 -8.370 0.536 -14.840 1.00 0.00 C ATOM 460 OE1 GLU A 29 -9.546 0.253 -14.680 1.00 0.00 O ATOM 461 OE2 GLU A 29 -7.978 1.445 -15.553 1.00 0.00 O ATOM 0 H GLU A 29 -5.286 -3.862 -15.790 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.219 -1.781 -14.832 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.617 -1.750 -15.679 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.141 -2.302 -14.101 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.519 -0.283 -13.030 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.331 0.123 -14.253 1.00 0.00 H new ATOM 468 N SER A 30 -4.510 -2.505 -12.479 1.00 0.00 N ATOM 469 CA SER A 30 -4.200 -2.667 -11.029 1.00 0.00 C ATOM 470 C SER A 30 -2.768 -2.205 -10.743 1.00 0.00 C ATOM 471 O SER A 30 -1.972 -2.022 -11.642 1.00 0.00 O ATOM 472 CB SER A 30 -4.344 -4.143 -10.650 1.00 0.00 C ATOM 473 OG SER A 30 -3.739 -4.371 -9.384 1.00 0.00 O ATOM 0 H SER A 30 -3.701 -2.345 -13.080 1.00 0.00 H new ATOM 0 HA SER A 30 -4.891 -2.062 -10.442 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.398 -4.419 -10.616 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.874 -4.771 -11.407 1.00 0.00 H new ATOM 0 HG SER A 30 -4.082 -3.721 -8.736 1.00 0.00 H new ATOM 479 N ILE A 31 -2.439 -2.026 -9.487 1.00 0.00 N ATOM 480 CA ILE A 31 -1.062 -1.586 -9.119 1.00 0.00 C ATOM 481 C ILE A 31 -0.283 -2.792 -8.589 1.00 0.00 C ATOM 482 O ILE A 31 -0.843 -3.660 -7.945 1.00 0.00 O ATOM 483 CB ILE A 31 -1.141 -0.506 -8.035 1.00 0.00 C ATOM 484 CG1 ILE A 31 -2.038 0.636 -8.522 1.00 0.00 C ATOM 485 CG2 ILE A 31 0.261 0.033 -7.745 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.421 1.528 -7.340 1.00 0.00 C ATOM 0 H ILE A 31 -3.070 -2.167 -8.698 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.557 -1.176 -9.994 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.558 -0.935 -7.124 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.518 1.222 -9.280 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.935 0.232 -8.992 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.203 0.801 -6.974 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.899 -0.780 -7.400 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.681 0.463 -8.654 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.059 2.340 -7.689 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.958 0.938 -6.598 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.519 1.943 -6.890 1.00 0.00 H new ATOM 498 N VAL A 32 0.998 -2.862 -8.859 1.00 0.00 N ATOM 499 CA VAL A 32 1.801 -4.024 -8.371 1.00 0.00 C ATOM 500 C VAL A 32 3.097 -3.530 -7.722 1.00 0.00 C ATOM 501 O VAL A 32 3.810 -2.717 -8.279 1.00 0.00 O ATOM 502 CB VAL A 32 2.140 -4.939 -9.549 1.00 0.00 C ATOM 503 CG1 VAL A 32 2.823 -6.208 -9.032 1.00 0.00 C ATOM 504 CG2 VAL A 32 0.853 -5.322 -10.285 1.00 0.00 C ATOM 0 H VAL A 32 1.519 -2.167 -9.394 1.00 0.00 H new ATOM 0 HA VAL A 32 1.219 -4.575 -7.633 1.00 0.00 H new ATOM 0 HB VAL A 32 2.810 -4.416 -10.231 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.064 -6.859 -9.872 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.739 -5.940 -8.506 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.152 -6.730 -8.349 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.094 -5.974 -11.125 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.184 -5.844 -9.601 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.363 -4.421 -10.654 1.00 0.00 H new ATOM 514 N VAL A 33 3.404 -4.027 -6.550 1.00 0.00 N ATOM 515 CA VAL A 33 4.656 -3.602 -5.852 1.00 0.00 C ATOM 516 C VAL A 33 5.568 -4.822 -5.657 1.00 0.00 C ATOM 517 O VAL A 33 5.445 -5.524 -4.672 1.00 0.00 O ATOM 518 CB VAL A 33 4.299 -3.004 -4.481 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.576 -2.582 -3.738 1.00 0.00 C ATOM 520 CG2 VAL A 33 3.401 -1.782 -4.680 1.00 0.00 C ATOM 0 H VAL A 33 2.840 -4.711 -6.045 1.00 0.00 H new ATOM 0 HA VAL A 33 5.173 -2.853 -6.451 1.00 0.00 H new ATOM 0 HB VAL A 33 3.776 -3.756 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.310 -2.160 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.216 -3.452 -3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.109 -1.834 -4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.146 -1.356 -3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.927 -1.037 -5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.489 -2.081 -5.196 1.00 0.00 H new ATOM 530 N PRO A 34 6.464 -5.029 -6.599 1.00 0.00 N ATOM 531 CA PRO A 34 7.379 -6.184 -6.450 1.00 0.00 C ATOM 532 C PRO A 34 8.400 -5.890 -5.349 1.00 0.00 C ATOM 533 O PRO A 34 8.691 -6.731 -4.519 1.00 0.00 O ATOM 534 CB PRO A 34 8.068 -6.317 -7.807 1.00 0.00 C ATOM 535 CG PRO A 34 7.970 -4.935 -8.476 1.00 0.00 C ATOM 536 CD PRO A 34 6.809 -4.198 -7.787 1.00 0.00 C ATOM 0 HA PRO A 34 6.860 -7.101 -6.171 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.109 -6.618 -7.687 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.583 -7.080 -8.416 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.902 -4.382 -8.362 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.786 -5.034 -9.546 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.103 -3.191 -7.490 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.955 -4.096 -8.457 1.00 0.00 H new ATOM 544 N ASN A 35 8.939 -4.696 -5.336 1.00 0.00 N ATOM 545 CA ASN A 35 9.938 -4.330 -4.291 1.00 0.00 C ATOM 546 C ASN A 35 9.287 -3.389 -3.271 1.00 0.00 C ATOM 547 O ASN A 35 9.496 -2.191 -3.294 1.00 0.00 O ATOM 548 CB ASN A 35 11.141 -3.637 -4.948 1.00 0.00 C ATOM 549 CG ASN A 35 12.375 -4.539 -4.852 1.00 0.00 C ATOM 550 OD1 ASN A 35 13.013 -4.824 -5.846 1.00 0.00 O ATOM 551 ND2 ASN A 35 12.742 -5.003 -3.688 1.00 0.00 N ATOM 0 H ASN A 35 8.728 -3.958 -6.008 1.00 0.00 H new ATOM 0 HA ASN A 35 10.280 -5.231 -3.782 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.920 -3.417 -5.993 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.337 -2.684 -4.456 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.563 -5.604 -3.614 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.208 -4.765 -2.852 1.00 0.00 H new ATOM 558 N ARG A 36 8.504 -3.933 -2.376 1.00 0.00 N ATOM 559 CA ARG A 36 7.833 -3.095 -1.335 1.00 0.00 C ATOM 560 C ARG A 36 8.893 -2.377 -0.485 1.00 0.00 C ATOM 561 O ARG A 36 8.622 -1.366 0.135 1.00 0.00 O ATOM 562 CB ARG A 36 6.986 -4.017 -0.443 1.00 0.00 C ATOM 563 CG ARG A 36 6.300 -3.216 0.677 1.00 0.00 C ATOM 564 CD ARG A 36 6.656 -3.819 2.042 1.00 0.00 C ATOM 565 NE ARG A 36 7.780 -3.054 2.654 1.00 0.00 N ATOM 566 CZ ARG A 36 8.604 -3.649 3.474 1.00 0.00 C ATOM 567 NH1 ARG A 36 9.568 -4.393 3.005 1.00 0.00 N ATOM 568 NH2 ARG A 36 8.462 -3.502 4.763 1.00 0.00 N ATOM 0 H ARG A 36 8.298 -4.931 -2.321 1.00 0.00 H new ATOM 0 HA ARG A 36 7.198 -2.346 -1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.233 -4.523 -1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.619 -4.791 -0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.616 -2.174 0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.219 -3.228 0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.787 -3.794 2.699 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.937 -4.866 1.925 1.00 0.00 H new ATOM 0 HE ARG A 36 7.905 -2.066 2.432 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.678 -4.510 1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.211 -4.858 3.646 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.707 -2.922 5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.106 -3.967 5.403 1.00 0.00 H new ATOM 582 N GLU A 37 10.091 -2.902 -0.442 1.00 0.00 N ATOM 583 CA GLU A 37 11.166 -2.269 0.380 1.00 0.00 C ATOM 584 C GLU A 37 11.705 -1.012 -0.315 1.00 0.00 C ATOM 585 O GLU A 37 11.530 0.091 0.166 1.00 0.00 O ATOM 586 CB GLU A 37 12.305 -3.271 0.575 1.00 0.00 C ATOM 587 CG GLU A 37 13.325 -2.702 1.563 1.00 0.00 C ATOM 588 CD GLU A 37 12.958 -3.138 2.983 1.00 0.00 C ATOM 589 OE1 GLU A 37 12.483 -4.251 3.137 1.00 0.00 O ATOM 590 OE2 GLU A 37 13.159 -2.351 3.893 1.00 0.00 O ATOM 0 H GLU A 37 10.372 -3.745 -0.943 1.00 0.00 H new ATOM 0 HA GLU A 37 10.751 -1.983 1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.911 -4.217 0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.786 -3.480 -0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.326 -3.052 1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.342 -1.614 1.498 1.00 0.00 H new ATOM 597 N ARG A 38 12.376 -1.173 -1.428 1.00 0.00 N ATOM 598 CA ARG A 38 12.950 0.009 -2.149 1.00 0.00 C ATOM 599 C ARG A 38 11.851 1.021 -2.500 1.00 0.00 C ATOM 600 O ARG A 38 12.128 2.182 -2.741 1.00 0.00 O ATOM 601 CB ARG A 38 13.630 -0.464 -3.435 1.00 0.00 C ATOM 602 CG ARG A 38 15.115 -0.724 -3.163 1.00 0.00 C ATOM 603 CD ARG A 38 15.311 -2.170 -2.702 1.00 0.00 C ATOM 604 NE ARG A 38 15.767 -3.000 -3.854 1.00 0.00 N ATOM 605 CZ ARG A 38 16.580 -4.000 -3.656 1.00 0.00 C ATOM 606 NH1 ARG A 38 16.228 -4.980 -2.870 1.00 0.00 N ATOM 607 NH2 ARG A 38 17.745 -4.020 -4.243 1.00 0.00 N ATOM 0 H ARG A 38 12.553 -2.075 -1.871 1.00 0.00 H new ATOM 0 HA ARG A 38 13.676 0.495 -1.497 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.151 -1.373 -3.799 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.519 0.289 -4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 38 15.698 -0.538 -4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.480 -0.037 -2.400 1.00 0.00 H new ATOM 0 HD2 ARG A 38 16.045 -2.210 -1.897 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.377 -2.565 -2.302 1.00 0.00 H new ATOM 0 HE ARG A 38 15.443 -2.785 -4.797 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.317 -4.964 -2.411 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.863 -5.763 -2.715 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.020 -3.253 -4.857 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.381 -4.802 -4.088 1.00 0.00 H new ATOM 621 N PHE A 39 10.614 0.595 -2.542 1.00 0.00 N ATOM 622 CA PHE A 39 9.505 1.535 -2.888 1.00 0.00 C ATOM 623 C PHE A 39 9.204 2.451 -1.693 1.00 0.00 C ATOM 624 O PHE A 39 9.437 3.643 -1.737 1.00 0.00 O ATOM 625 CB PHE A 39 8.253 0.721 -3.257 1.00 0.00 C ATOM 626 CG PHE A 39 7.072 1.642 -3.497 1.00 0.00 C ATOM 627 CD1 PHE A 39 6.892 2.252 -4.743 1.00 0.00 C ATOM 628 CD2 PHE A 39 6.159 1.879 -2.464 1.00 0.00 C ATOM 629 CE1 PHE A 39 5.800 3.100 -4.956 1.00 0.00 C ATOM 630 CE2 PHE A 39 5.067 2.729 -2.675 1.00 0.00 C ATOM 631 CZ PHE A 39 4.886 3.338 -3.923 1.00 0.00 C ATOM 0 H PHE A 39 10.324 -0.364 -2.351 1.00 0.00 H new ATOM 0 HA PHE A 39 9.800 2.153 -3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.448 0.129 -4.151 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.018 0.020 -2.456 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.596 2.068 -5.541 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.297 1.406 -1.503 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.662 3.571 -5.918 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.365 2.915 -1.876 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.042 3.991 -4.088 1.00 0.00 H new ATOM 641 N VAL A 40 8.663 1.899 -0.634 1.00 0.00 N ATOM 642 CA VAL A 40 8.303 2.720 0.570 1.00 0.00 C ATOM 643 C VAL A 40 9.468 3.631 0.990 1.00 0.00 C ATOM 644 O VAL A 40 9.261 4.755 1.409 1.00 0.00 O ATOM 645 CB VAL A 40 7.950 1.782 1.740 1.00 0.00 C ATOM 646 CG1 VAL A 40 7.552 2.605 2.973 1.00 0.00 C ATOM 647 CG2 VAL A 40 6.775 0.878 1.349 1.00 0.00 C ATOM 0 H VAL A 40 8.453 0.905 -0.550 1.00 0.00 H new ATOM 0 HA VAL A 40 7.449 3.346 0.314 1.00 0.00 H new ATOM 0 HB VAL A 40 8.824 1.173 1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.304 1.933 3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.383 3.246 3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.685 3.221 2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.531 0.218 2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.908 1.493 1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.049 0.280 0.480 1.00 0.00 H new ATOM 657 N GLN A 41 10.675 3.145 0.905 1.00 0.00 N ATOM 658 CA GLN A 41 11.851 3.964 1.333 1.00 0.00 C ATOM 659 C GLN A 41 12.161 5.086 0.333 1.00 0.00 C ATOM 660 O GLN A 41 12.188 6.247 0.696 1.00 0.00 O ATOM 661 CB GLN A 41 13.079 3.058 1.461 1.00 0.00 C ATOM 662 CG GLN A 41 13.015 2.280 2.783 1.00 0.00 C ATOM 663 CD GLN A 41 14.373 2.344 3.492 1.00 0.00 C ATOM 664 OE1 GLN A 41 15.256 1.560 3.209 1.00 0.00 O ATOM 665 NE2 GLN A 41 14.575 3.252 4.407 1.00 0.00 N ATOM 0 H GLN A 41 10.902 2.213 0.557 1.00 0.00 H new ATOM 0 HA GLN A 41 11.607 4.422 2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.119 2.364 0.621 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.989 3.656 1.424 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.240 2.699 3.425 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.743 1.242 2.591 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.833 3.910 4.645 1.00 0.00 H new ATOM 0 HE22 GLN A 41 15.475 3.303 4.885 1.00 0.00 H new ATOM 674 N GLU A 42 12.441 4.752 -0.903 1.00 0.00 N ATOM 675 CA GLU A 42 12.805 5.809 -1.899 1.00 0.00 C ATOM 676 C GLU A 42 11.592 6.277 -2.712 1.00 0.00 C ATOM 677 O GLU A 42 11.751 6.798 -3.801 1.00 0.00 O ATOM 678 CB GLU A 42 13.862 5.251 -2.853 1.00 0.00 C ATOM 679 CG GLU A 42 15.107 4.854 -2.058 1.00 0.00 C ATOM 680 CD GLU A 42 15.842 3.728 -2.790 1.00 0.00 C ATOM 681 OE1 GLU A 42 15.183 2.785 -3.197 1.00 0.00 O ATOM 682 OE2 GLU A 42 17.050 3.829 -2.930 1.00 0.00 O ATOM 0 H GLU A 42 12.434 3.798 -1.265 1.00 0.00 H new ATOM 0 HA GLU A 42 13.190 6.669 -1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.466 4.386 -3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.120 5.998 -3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.765 5.715 -1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.824 4.528 -1.057 1.00 0.00 H new ATOM 689 N VAL A 43 10.392 6.114 -2.210 1.00 0.00 N ATOM 690 CA VAL A 43 9.200 6.580 -2.995 1.00 0.00 C ATOM 691 C VAL A 43 8.091 7.114 -2.074 1.00 0.00 C ATOM 692 O VAL A 43 7.339 7.989 -2.463 1.00 0.00 O ATOM 693 CB VAL A 43 8.646 5.434 -3.852 1.00 0.00 C ATOM 694 CG1 VAL A 43 7.612 5.992 -4.831 1.00 0.00 C ATOM 695 CG2 VAL A 43 9.786 4.784 -4.642 1.00 0.00 C ATOM 0 H VAL A 43 10.185 5.687 -1.307 1.00 0.00 H new ATOM 0 HA VAL A 43 9.531 7.394 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 43 8.181 4.690 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.215 5.181 -5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.799 6.458 -4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.084 6.734 -5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.390 3.970 -5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.250 5.528 -5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.530 4.390 -3.950 1.00 0.00 H new ATOM 705 N LEU A 44 7.963 6.600 -0.872 1.00 0.00 N ATOM 706 CA LEU A 44 6.880 7.089 0.034 1.00 0.00 C ATOM 707 C LEU A 44 7.175 8.515 0.537 1.00 0.00 C ATOM 708 O LEU A 44 6.293 9.351 0.521 1.00 0.00 O ATOM 709 CB LEU A 44 6.745 6.147 1.231 1.00 0.00 C ATOM 710 CG LEU A 44 5.365 6.325 1.871 1.00 0.00 C ATOM 711 CD1 LEU A 44 4.291 5.811 0.912 1.00 0.00 C ATOM 712 CD2 LEU A 44 5.305 5.531 3.176 1.00 0.00 C ATOM 0 H LEU A 44 8.558 5.868 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 44 5.949 7.109 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.878 5.114 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.526 6.357 1.962 1.00 0.00 H new ATOM 0 HG LEU A 44 5.192 7.381 2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.308 5.937 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.335 6.375 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.463 4.755 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.324 5.656 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.476 4.475 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.073 5.895 3.859 1.00 0.00 H new ATOM 724 N PRO A 45 8.392 8.749 0.985 1.00 0.00 N ATOM 725 CA PRO A 45 8.701 10.111 1.497 1.00 0.00 C ATOM 726 C PRO A 45 8.930 11.111 0.353 1.00 0.00 C ATOM 727 O PRO A 45 9.120 12.290 0.590 1.00 0.00 O ATOM 728 CB PRO A 45 9.985 9.941 2.308 1.00 0.00 C ATOM 729 CG PRO A 45 10.670 8.674 1.769 1.00 0.00 C ATOM 730 CD PRO A 45 9.584 7.861 1.045 1.00 0.00 C ATOM 0 HA PRO A 45 7.875 10.508 2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.633 10.811 2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.764 9.841 3.371 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.480 8.932 1.087 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.110 8.096 2.582 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.910 7.575 0.045 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.360 6.940 1.583 1.00 0.00 H new ATOM 738 N LYS A 46 8.926 10.659 -0.879 1.00 0.00 N ATOM 739 CA LYS A 46 9.158 11.593 -2.020 1.00 0.00 C ATOM 740 C LYS A 46 7.851 12.309 -2.391 1.00 0.00 C ATOM 741 O LYS A 46 7.872 13.386 -2.962 1.00 0.00 O ATOM 742 CB LYS A 46 9.678 10.793 -3.223 1.00 0.00 C ATOM 743 CG LYS A 46 10.967 11.430 -3.763 1.00 0.00 C ATOM 744 CD LYS A 46 11.983 10.333 -4.121 1.00 0.00 C ATOM 745 CE LYS A 46 13.353 10.676 -3.527 1.00 0.00 C ATOM 746 NZ LYS A 46 13.969 11.791 -4.301 1.00 0.00 N ATOM 0 H LYS A 46 8.772 9.685 -1.140 1.00 0.00 H new ATOM 0 HA LYS A 46 9.894 12.343 -1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.869 9.761 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.921 10.766 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.744 12.033 -4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.392 12.101 -3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.642 9.371 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.060 10.237 -5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.246 10.962 -2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.001 9.800 -3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.899 12.022 -3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.085 11.502 -5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.353 12.628 -4.254 1.00 0.00 H new ATOM 760 N TYR A 47 6.720 11.725 -2.080 1.00 0.00 N ATOM 761 CA TYR A 47 5.420 12.374 -2.425 1.00 0.00 C ATOM 762 C TYR A 47 4.707 12.824 -1.146 1.00 0.00 C ATOM 763 O TYR A 47 4.036 13.840 -1.126 1.00 0.00 O ATOM 764 CB TYR A 47 4.546 11.376 -3.184 1.00 0.00 C ATOM 765 CG TYR A 47 5.047 11.264 -4.604 1.00 0.00 C ATOM 766 CD1 TYR A 47 6.180 10.490 -4.887 1.00 0.00 C ATOM 767 CD2 TYR A 47 4.387 11.941 -5.636 1.00 0.00 C ATOM 768 CE1 TYR A 47 6.650 10.393 -6.202 1.00 0.00 C ATOM 769 CE2 TYR A 47 4.858 11.845 -6.951 1.00 0.00 C ATOM 770 CZ TYR A 47 5.989 11.071 -7.234 1.00 0.00 C ATOM 771 OH TYR A 47 6.455 10.977 -8.529 1.00 0.00 O ATOM 0 H TYR A 47 6.642 10.827 -1.602 1.00 0.00 H new ATOM 0 HA TYR A 47 5.603 13.247 -3.051 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.577 10.402 -2.696 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.507 11.704 -3.176 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.691 9.968 -4.091 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.514 12.538 -5.418 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.522 9.795 -6.421 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.349 12.368 -7.747 1.00 0.00 H new ATOM 0 HH TYR A 47 5.882 11.506 -9.122 1.00 0.00 H new ATOM 781 N PHE A 48 4.854 12.080 -0.081 1.00 0.00 N ATOM 782 CA PHE A 48 4.196 12.459 1.205 1.00 0.00 C ATOM 783 C PHE A 48 5.270 12.906 2.199 1.00 0.00 C ATOM 784 O PHE A 48 6.416 13.093 1.836 1.00 0.00 O ATOM 785 CB PHE A 48 3.441 11.256 1.772 1.00 0.00 C ATOM 786 CG PHE A 48 2.455 10.746 0.748 1.00 0.00 C ATOM 787 CD1 PHE A 48 2.880 9.874 -0.262 1.00 0.00 C ATOM 788 CD2 PHE A 48 1.114 11.147 0.807 1.00 0.00 C ATOM 789 CE1 PHE A 48 1.965 9.402 -1.211 1.00 0.00 C ATOM 790 CE2 PHE A 48 0.198 10.674 -0.141 1.00 0.00 C ATOM 791 CZ PHE A 48 0.624 9.802 -1.151 1.00 0.00 C ATOM 0 H PHE A 48 5.404 11.222 -0.046 1.00 0.00 H new ATOM 0 HA PHE A 48 3.491 13.272 1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.143 10.467 2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.918 11.540 2.685 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.914 9.565 -0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.786 11.821 1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.293 8.729 -1.989 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.836 10.981 -0.093 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.081 9.438 -1.883 1.00 0.00 H new ATOM 801 N LYS A 49 4.910 13.081 3.446 1.00 0.00 N ATOM 802 CA LYS A 49 5.915 13.521 4.459 1.00 0.00 C ATOM 803 C LYS A 49 5.891 12.576 5.668 1.00 0.00 C ATOM 804 O LYS A 49 6.735 11.710 5.802 1.00 0.00 O ATOM 805 CB LYS A 49 5.591 14.948 4.915 1.00 0.00 C ATOM 806 CG LYS A 49 6.192 15.954 3.932 1.00 0.00 C ATOM 807 CD LYS A 49 6.082 17.364 4.517 1.00 0.00 C ATOM 808 CE LYS A 49 6.038 18.393 3.385 1.00 0.00 C ATOM 809 NZ LYS A 49 5.202 19.556 3.803 1.00 0.00 N ATOM 0 H LYS A 49 3.966 12.938 3.805 1.00 0.00 H new ATOM 0 HA LYS A 49 6.908 13.498 4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.511 15.084 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.990 15.120 5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.236 15.710 3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.669 15.903 2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.184 17.445 5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.932 17.564 5.170 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.047 18.725 3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.626 17.940 2.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.172 20.256 3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.237 19.232 4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.614 19.992 4.652 1.00 0.00 H new ATOM 823 N HIS A 50 4.938 12.745 6.551 1.00 0.00 N ATOM 824 CA HIS A 50 4.860 11.871 7.758 1.00 0.00 C ATOM 825 C HIS A 50 3.903 10.703 7.491 1.00 0.00 C ATOM 826 O HIS A 50 3.033 10.407 8.290 1.00 0.00 O ATOM 827 CB HIS A 50 4.350 12.696 8.944 1.00 0.00 C ATOM 828 CG HIS A 50 5.464 13.557 9.479 1.00 0.00 C ATOM 829 ND1 HIS A 50 6.762 13.089 9.611 1.00 0.00 N ATOM 830 CD2 HIS A 50 5.487 14.857 9.918 1.00 0.00 C ATOM 831 CE1 HIS A 50 7.505 14.093 10.112 1.00 0.00 C ATOM 832 NE2 HIS A 50 6.778 15.193 10.319 1.00 0.00 N ATOM 0 H HIS A 50 4.208 13.455 6.486 1.00 0.00 H new ATOM 0 HA HIS A 50 5.849 11.475 7.986 1.00 0.00 H new ATOM 0 HB2 HIS A 50 3.513 13.320 8.632 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.980 12.035 9.727 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.634 15.519 9.948 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.562 14.018 10.321 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.099 16.087 10.691 1.00 0.00 H new ATOM 840 N SER A 51 4.057 10.039 6.372 1.00 0.00 N ATOM 841 CA SER A 51 3.159 8.890 6.049 1.00 0.00 C ATOM 842 C SER A 51 3.987 7.611 5.903 1.00 0.00 C ATOM 843 O SER A 51 4.959 7.573 5.173 1.00 0.00 O ATOM 844 CB SER A 51 2.428 9.164 4.736 1.00 0.00 C ATOM 845 OG SER A 51 1.741 10.405 4.829 1.00 0.00 O ATOM 0 H SER A 51 4.767 10.244 5.669 1.00 0.00 H new ATOM 0 HA SER A 51 2.435 8.767 6.855 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.139 9.190 3.910 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.723 8.360 4.525 1.00 0.00 H new ATOM 0 HG SER A 51 1.273 10.584 3.987 1.00 0.00 H new ATOM 851 N ASN A 52 3.602 6.566 6.589 1.00 0.00 N ATOM 852 CA ASN A 52 4.356 5.281 6.493 1.00 0.00 C ATOM 853 C ASN A 52 3.606 4.321 5.565 1.00 0.00 C ATOM 854 O ASN A 52 2.528 4.623 5.088 1.00 0.00 O ATOM 855 CB ASN A 52 4.480 4.660 7.890 1.00 0.00 C ATOM 856 CG ASN A 52 5.898 4.122 8.090 1.00 0.00 C ATOM 857 OD1 ASN A 52 6.066 2.886 8.475 1.00 0.00 O flip ATOM 858 ND2 ASN A 52 6.864 4.832 7.892 1.00 0.00 N flip ATOM 0 H ASN A 52 2.796 6.548 7.213 1.00 0.00 H new ATOM 0 HA ASN A 52 5.352 5.467 6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.253 5.406 8.652 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.755 3.854 8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.734 5.798 7.591 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.805 4.462 8.027 1.00 0.00 H new ATOM 865 N PHE A 53 4.168 3.164 5.306 1.00 0.00 N ATOM 866 CA PHE A 53 3.492 2.174 4.408 1.00 0.00 C ATOM 867 C PHE A 53 2.111 1.826 4.971 1.00 0.00 C ATOM 868 O PHE A 53 1.178 1.568 4.234 1.00 0.00 O ATOM 869 CB PHE A 53 4.337 0.895 4.304 1.00 0.00 C ATOM 870 CG PHE A 53 4.764 0.431 5.681 1.00 0.00 C ATOM 871 CD1 PHE A 53 3.875 -0.288 6.488 1.00 0.00 C ATOM 872 CD2 PHE A 53 6.054 0.720 6.144 1.00 0.00 C ATOM 873 CE1 PHE A 53 4.275 -0.717 7.760 1.00 0.00 C ATOM 874 CE2 PHE A 53 6.453 0.290 7.415 1.00 0.00 C ATOM 875 CZ PHE A 53 5.565 -0.427 8.223 1.00 0.00 C ATOM 0 H PHE A 53 5.068 2.862 5.679 1.00 0.00 H new ATOM 0 HA PHE A 53 3.382 2.613 3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.762 0.111 3.811 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.216 1.081 3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.881 -0.512 6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.740 1.274 5.521 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.589 -1.271 8.384 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.448 0.512 7.772 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.874 -0.757 9.204 1.00 0.00 H new ATOM 885 N ALA A 54 1.979 1.828 6.271 1.00 0.00 N ATOM 886 CA ALA A 54 0.664 1.507 6.897 1.00 0.00 C ATOM 887 C ALA A 54 -0.323 2.640 6.608 1.00 0.00 C ATOM 888 O ALA A 54 -1.503 2.416 6.417 1.00 0.00 O ATOM 889 CB ALA A 54 0.844 1.359 8.408 1.00 0.00 C ATOM 0 H ALA A 54 2.729 2.039 6.929 1.00 0.00 H new ATOM 0 HA ALA A 54 0.279 0.574 6.485 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.116 1.124 8.868 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.551 0.555 8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.226 2.292 8.822 1.00 0.00 H new ATOM 895 N SER A 55 0.158 3.859 6.576 1.00 0.00 N ATOM 896 CA SER A 55 -0.740 5.021 6.302 1.00 0.00 C ATOM 897 C SER A 55 -1.314 4.904 4.888 1.00 0.00 C ATOM 898 O SER A 55 -2.502 5.063 4.676 1.00 0.00 O ATOM 899 CB SER A 55 0.058 6.321 6.415 1.00 0.00 C ATOM 900 OG SER A 55 -0.762 7.411 6.014 1.00 0.00 O ATOM 0 H SER A 55 1.138 4.099 6.729 1.00 0.00 H new ATOM 0 HA SER A 55 -1.554 5.026 7.027 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.398 6.465 7.441 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.948 6.271 5.788 1.00 0.00 H new ATOM 0 HG SER A 55 -0.254 8.246 6.086 1.00 0.00 H new ATOM 906 N PHE A 56 -0.474 4.630 3.921 1.00 0.00 N ATOM 907 CA PHE A 56 -0.958 4.504 2.513 1.00 0.00 C ATOM 908 C PHE A 56 -1.968 3.357 2.419 1.00 0.00 C ATOM 909 O PHE A 56 -2.959 3.450 1.721 1.00 0.00 O ATOM 910 CB PHE A 56 0.228 4.221 1.591 1.00 0.00 C ATOM 911 CG PHE A 56 -0.081 4.736 0.206 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.986 4.046 -0.610 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.535 5.902 -0.261 1.00 0.00 C ATOM 914 CE1 PHE A 56 -1.274 4.523 -1.894 1.00 0.00 C ATOM 915 CE2 PHE A 56 0.247 6.380 -1.546 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.657 5.689 -2.362 1.00 0.00 C ATOM 0 H PHE A 56 0.528 4.488 4.047 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.439 5.434 2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.127 4.702 1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.429 3.150 1.557 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.462 3.146 -0.249 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.233 6.434 0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.972 3.991 -2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.722 7.280 -1.907 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.878 6.056 -3.353 1.00 0.00 H new ATOM 926 N VAL A 57 -1.722 2.282 3.122 1.00 0.00 N ATOM 927 CA VAL A 57 -2.664 1.124 3.088 1.00 0.00 C ATOM 928 C VAL A 57 -4.000 1.536 3.716 1.00 0.00 C ATOM 929 O VAL A 57 -5.040 1.002 3.381 1.00 0.00 O ATOM 930 CB VAL A 57 -2.064 -0.046 3.880 1.00 0.00 C ATOM 931 CG1 VAL A 57 -2.996 -1.262 3.802 1.00 0.00 C ATOM 932 CG2 VAL A 57 -0.688 -0.414 3.302 1.00 0.00 C ATOM 0 H VAL A 57 -0.906 2.156 3.721 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.827 0.817 2.055 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.950 0.252 4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.564 -2.088 4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.967 -1.004 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.120 -1.559 2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.266 -1.245 3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.798 -0.705 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.023 0.447 3.371 1.00 0.00 H new ATOM 942 N ARG A 58 -3.977 2.477 4.627 1.00 0.00 N ATOM 943 CA ARG A 58 -5.240 2.924 5.285 1.00 0.00 C ATOM 944 C ARG A 58 -6.104 3.683 4.272 1.00 0.00 C ATOM 945 O ARG A 58 -7.295 3.457 4.169 1.00 0.00 O ATOM 946 CB ARG A 58 -4.904 3.843 6.467 1.00 0.00 C ATOM 947 CG ARG A 58 -5.037 3.065 7.781 1.00 0.00 C ATOM 948 CD ARG A 58 -6.456 3.228 8.327 1.00 0.00 C ATOM 949 NE ARG A 58 -6.699 2.212 9.390 1.00 0.00 N ATOM 950 CZ ARG A 58 -7.800 2.250 10.093 1.00 0.00 C ATOM 951 NH1 ARG A 58 -8.118 3.332 10.748 1.00 0.00 N ATOM 952 NH2 ARG A 58 -8.581 1.206 10.139 1.00 0.00 N ATOM 0 H ARG A 58 -3.134 2.956 4.943 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.788 2.055 5.648 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.890 4.229 6.363 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.574 4.703 6.473 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.818 2.010 7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.312 3.431 8.508 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.589 4.232 8.731 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.182 3.110 7.523 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.005 1.486 9.569 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.507 4.148 10.711 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.977 3.362 11.297 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.332 0.360 9.626 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.440 1.236 10.688 1.00 0.00 H new ATOM 966 N GLN A 59 -5.511 4.584 3.528 1.00 0.00 N ATOM 967 CA GLN A 59 -6.294 5.364 2.524 1.00 0.00 C ATOM 968 C GLN A 59 -6.872 4.420 1.466 1.00 0.00 C ATOM 969 O GLN A 59 -8.024 4.531 1.092 1.00 0.00 O ATOM 970 CB GLN A 59 -5.385 6.390 1.843 1.00 0.00 C ATOM 971 CG GLN A 59 -5.222 7.616 2.745 1.00 0.00 C ATOM 972 CD GLN A 59 -4.211 7.311 3.851 1.00 0.00 C ATOM 973 OE1 GLN A 59 -3.022 7.252 3.605 1.00 0.00 O ATOM 974 NE2 GLN A 59 -4.634 7.116 5.069 1.00 0.00 N ATOM 0 H GLN A 59 -4.518 4.812 3.574 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.108 5.879 3.034 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.411 5.947 1.637 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.810 6.686 0.884 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.886 8.470 2.157 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.183 7.888 3.182 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.631 7.165 5.276 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.967 6.914 5.814 1.00 0.00 H new ATOM 983 N LEU A 60 -6.081 3.494 0.978 1.00 0.00 N ATOM 984 CA LEU A 60 -6.587 2.546 -0.061 1.00 0.00 C ATOM 985 C LEU A 60 -7.721 1.710 0.522 1.00 0.00 C ATOM 986 O LEU A 60 -8.649 1.349 -0.166 1.00 0.00 O ATOM 987 CB LEU A 60 -5.467 1.610 -0.509 1.00 0.00 C ATOM 988 CG LEU A 60 -4.323 2.423 -1.118 1.00 0.00 C ATOM 989 CD1 LEU A 60 -3.095 1.526 -1.288 1.00 0.00 C ATOM 990 CD2 LEU A 60 -4.753 2.961 -2.485 1.00 0.00 C ATOM 0 H LEU A 60 -5.109 3.355 1.255 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.945 3.120 -0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.102 1.032 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.848 0.897 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.077 3.256 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.279 2.104 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.789 1.140 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.341 0.694 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.939 3.541 -2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.998 2.128 -3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.629 3.599 -2.366 1.00 0.00 H new ATOM 1002 N ASN A 61 -7.643 1.395 1.784 1.00 0.00 N ATOM 1003 CA ASN A 61 -8.712 0.575 2.427 1.00 0.00 C ATOM 1004 C ASN A 61 -9.967 1.428 2.652 1.00 0.00 C ATOM 1005 O ASN A 61 -11.056 0.906 2.800 1.00 0.00 O ATOM 1006 CB ASN A 61 -8.210 0.051 3.777 1.00 0.00 C ATOM 1007 CG ASN A 61 -7.656 -1.366 3.606 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -6.572 -1.547 3.088 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -8.358 -2.384 4.023 1.00 0.00 N ATOM 0 H ASN A 61 -6.881 1.671 2.403 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.959 -0.261 1.773 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.435 0.710 4.169 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.023 0.049 4.503 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.997 -3.332 3.914 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.268 -2.232 4.458 1.00 0.00 H new ATOM 1016 N MET A 62 -9.826 2.732 2.697 1.00 0.00 N ATOM 1017 CA MET A 62 -11.009 3.611 2.934 1.00 0.00 C ATOM 1018 C MET A 62 -11.855 3.733 1.664 1.00 0.00 C ATOM 1019 O MET A 62 -13.071 3.703 1.720 1.00 0.00 O ATOM 1020 CB MET A 62 -10.532 5.000 3.369 1.00 0.00 C ATOM 1021 CG MET A 62 -10.061 4.953 4.830 1.00 0.00 C ATOM 1022 SD MET A 62 -10.559 6.469 5.688 1.00 0.00 S ATOM 1023 CE MET A 62 -8.899 7.135 5.969 1.00 0.00 C ATOM 0 H MET A 62 -8.940 3.223 2.579 1.00 0.00 H new ATOM 0 HA MET A 62 -11.623 3.168 3.718 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.718 5.333 2.725 1.00 0.00 H new ATOM 0 HB3 MET A 62 -11.341 5.723 3.261 1.00 0.00 H new ATOM 0 HG2 MET A 62 -10.488 4.084 5.331 1.00 0.00 H new ATOM 0 HG3 MET A 62 -8.977 4.842 4.868 1.00 0.00 H new ATOM 0 HE1 MET A 62 -8.973 8.087 6.495 1.00 0.00 H new ATOM 0 HE2 MET A 62 -8.322 6.432 6.570 1.00 0.00 H new ATOM 0 HE3 MET A 62 -8.401 7.288 5.011 1.00 0.00 H new ATOM 1033 N TYR A 63 -11.228 3.879 0.525 1.00 0.00 N ATOM 1034 CA TYR A 63 -12.002 4.014 -0.746 1.00 0.00 C ATOM 1035 C TYR A 63 -12.387 2.624 -1.268 1.00 0.00 C ATOM 1036 O TYR A 63 -13.533 2.369 -1.586 1.00 0.00 O ATOM 1037 CB TYR A 63 -11.147 4.739 -1.788 1.00 0.00 C ATOM 1038 CG TYR A 63 -10.657 6.051 -1.217 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -11.555 7.106 -1.014 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -9.305 6.211 -0.887 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -11.101 8.321 -0.486 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -8.852 7.426 -0.359 1.00 0.00 C ATOM 1043 CZ TYR A 63 -9.750 8.480 -0.156 1.00 0.00 C ATOM 1044 OH TYR A 63 -9.302 9.677 0.365 1.00 0.00 O ATOM 0 H TYR A 63 -10.214 3.911 0.420 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.909 4.588 -0.559 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.300 4.116 -2.075 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -11.731 4.919 -2.691 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.598 6.983 -1.265 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.612 5.397 -1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.793 9.136 -0.333 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.809 7.550 -0.108 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.412 9.551 0.755 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.438 1.730 -1.357 1.00 0.00 N ATOM 1055 CA GLY A 64 -11.731 0.352 -1.854 1.00 0.00 C ATOM 1056 C GLY A 64 -10.435 -0.460 -1.872 1.00 0.00 C ATOM 1057 O GLY A 64 -9.839 -0.708 -0.845 1.00 0.00 O ATOM 0 H GLY A 64 -10.464 1.896 -1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.468 -0.130 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.161 0.397 -2.855 1.00 0.00 H new ATOM 1061 N TRP A 65 -9.992 -0.867 -3.038 1.00 0.00 N ATOM 1062 CA TRP A 65 -8.721 -1.660 -3.148 1.00 0.00 C ATOM 1063 C TRP A 65 -8.771 -2.881 -2.218 1.00 0.00 C ATOM 1064 O TRP A 65 -8.539 -2.774 -1.028 1.00 0.00 O ATOM 1065 CB TRP A 65 -7.533 -0.760 -2.783 1.00 0.00 C ATOM 1066 CG TRP A 65 -7.563 0.450 -3.662 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -7.995 1.677 -3.287 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -7.166 0.566 -5.058 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -7.886 2.537 -4.365 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -7.380 1.899 -5.480 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -6.645 -0.349 -5.989 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -7.088 2.310 -6.780 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -6.349 0.060 -7.299 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -6.571 1.387 -7.694 1.00 0.00 C ATOM 0 H TRP A 65 -10.459 -0.683 -3.926 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.604 -2.017 -4.171 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.588 -0.467 -1.734 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.595 -1.300 -2.914 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.364 1.941 -2.307 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -8.148 3.523 -4.339 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.471 -1.373 -5.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.260 3.334 -7.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.948 -0.651 -8.006 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -6.343 1.696 -8.703 1.00 0.00 H new ATOM 1085 N HIS A 66 -9.082 -4.039 -2.752 1.00 0.00 N ATOM 1086 CA HIS A 66 -9.166 -5.259 -1.890 1.00 0.00 C ATOM 1087 C HIS A 66 -8.151 -6.317 -2.334 1.00 0.00 C ATOM 1088 O HIS A 66 -8.331 -7.496 -2.090 1.00 0.00 O ATOM 1089 CB HIS A 66 -10.580 -5.839 -1.975 1.00 0.00 C ATOM 1090 CG HIS A 66 -11.574 -4.808 -1.515 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -12.554 -4.301 -2.355 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -11.755 -4.182 -0.307 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -13.275 -3.413 -1.647 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -12.830 -3.302 -0.392 1.00 0.00 N ATOM 0 H HIS A 66 -9.280 -4.191 -3.741 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.937 -4.976 -0.863 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.800 -6.140 -2.999 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.655 -6.733 -1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.155 -4.347 0.575 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -14.112 -2.858 -2.045 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -13.199 -2.701 0.345 1.00 0.00 H new ATOM 1102 N LYS A 67 -7.082 -5.905 -2.960 1.00 0.00 N ATOM 1103 CA LYS A 67 -6.033 -6.878 -3.408 1.00 0.00 C ATOM 1104 C LYS A 67 -6.646 -7.956 -4.316 1.00 0.00 C ATOM 1105 O LYS A 67 -7.851 -8.075 -4.434 1.00 0.00 O ATOM 1106 CB LYS A 67 -5.408 -7.542 -2.178 1.00 0.00 C ATOM 1107 CG LYS A 67 -4.776 -6.468 -1.287 1.00 0.00 C ATOM 1108 CD LYS A 67 -4.311 -7.098 0.029 1.00 0.00 C ATOM 1109 CE LYS A 67 -4.065 -5.997 1.062 1.00 0.00 C ATOM 1110 NZ LYS A 67 -5.322 -5.734 1.820 1.00 0.00 N ATOM 0 H LYS A 67 -6.885 -4.930 -3.184 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.271 -6.341 -3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.168 -8.091 -1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.653 -8.266 -2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.931 -6.007 -1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.498 -5.676 -1.087 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.064 -7.795 0.397 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.398 -7.671 -0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.271 -6.297 1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.730 -5.086 0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.154 -4.985 2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.067 -5.430 1.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.623 -6.603 2.306 1.00 0.00 H new ATOM 1124 N VAL A 68 -5.816 -8.740 -4.962 1.00 0.00 N ATOM 1125 CA VAL A 68 -6.332 -9.812 -5.868 1.00 0.00 C ATOM 1126 C VAL A 68 -6.392 -11.143 -5.105 1.00 0.00 C ATOM 1127 O VAL A 68 -5.651 -11.359 -4.164 1.00 0.00 O ATOM 1128 CB VAL A 68 -5.408 -9.933 -7.093 1.00 0.00 C ATOM 1129 CG1 VAL A 68 -3.997 -10.350 -6.658 1.00 0.00 C ATOM 1130 CG2 VAL A 68 -5.972 -10.973 -8.067 1.00 0.00 C ATOM 0 H VAL A 68 -4.800 -8.682 -4.900 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.336 -9.559 -6.208 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.354 -8.963 -7.587 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.355 -10.431 -7.535 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.590 -9.601 -5.978 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.043 -11.314 -6.151 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.315 -11.055 -8.933 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.038 -11.940 -7.569 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.965 -10.665 -8.394 1.00 0.00 H new ATOM 1140 N GLN A 69 -7.276 -12.028 -5.494 1.00 0.00 N ATOM 1141 CA GLN A 69 -7.398 -13.339 -4.786 1.00 0.00 C ATOM 1142 C GLN A 69 -6.439 -14.363 -5.406 1.00 0.00 C ATOM 1143 O GLN A 69 -6.014 -15.297 -4.753 1.00 0.00 O ATOM 1144 CB GLN A 69 -8.842 -13.846 -4.908 1.00 0.00 C ATOM 1145 CG GLN A 69 -9.340 -14.342 -3.546 1.00 0.00 C ATOM 1146 CD GLN A 69 -10.872 -14.343 -3.529 1.00 0.00 C ATOM 1147 OE1 GLN A 69 -11.503 -13.665 -4.315 1.00 0.00 O ATOM 1148 NE2 GLN A 69 -11.502 -15.084 -2.659 1.00 0.00 N ATOM 0 H GLN A 69 -7.920 -11.898 -6.274 1.00 0.00 H new ATOM 0 HA GLN A 69 -7.141 -13.206 -3.735 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.487 -13.046 -5.271 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -8.892 -14.653 -5.639 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.963 -15.347 -3.353 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.958 -13.701 -2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.975 -15.654 -1.998 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.522 -15.093 -2.640 1.00 0.00 H new ATOM 1157 N ASP A 70 -6.099 -14.199 -6.662 1.00 0.00 N ATOM 1158 CA ASP A 70 -5.172 -15.163 -7.339 1.00 0.00 C ATOM 1159 C ASP A 70 -5.876 -16.510 -7.511 1.00 0.00 C ATOM 1160 O ASP A 70 -6.993 -16.697 -7.069 1.00 0.00 O ATOM 1161 CB ASP A 70 -3.896 -15.353 -6.504 1.00 0.00 C ATOM 1162 CG ASP A 70 -2.698 -15.553 -7.434 1.00 0.00 C ATOM 1163 OD1 ASP A 70 -2.657 -14.901 -8.465 1.00 0.00 O ATOM 1164 OD2 ASP A 70 -1.842 -16.356 -7.100 1.00 0.00 O ATOM 0 H ASP A 70 -6.426 -13.434 -7.252 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.897 -14.763 -8.315 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.733 -14.483 -5.867 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.005 -16.215 -5.845 1.00 0.00 H new ATOM 1169 N VAL A 71 -5.228 -17.448 -8.154 1.00 0.00 N ATOM 1170 CA VAL A 71 -5.849 -18.789 -8.368 1.00 0.00 C ATOM 1171 C VAL A 71 -5.957 -19.521 -7.026 1.00 0.00 C ATOM 1172 O VAL A 71 -7.040 -19.763 -6.528 1.00 0.00 O ATOM 1173 CB VAL A 71 -4.977 -19.603 -9.331 1.00 0.00 C ATOM 1174 CG1 VAL A 71 -5.648 -20.947 -9.632 1.00 0.00 C ATOM 1175 CG2 VAL A 71 -4.795 -18.822 -10.637 1.00 0.00 C ATOM 0 H VAL A 71 -4.291 -17.341 -8.542 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.845 -18.669 -8.794 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.005 -19.782 -8.871 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.023 -21.520 -10.317 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.777 -21.505 -8.705 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.622 -20.773 -10.089 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.175 -19.399 -11.323 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.769 -18.642 -11.092 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.311 -17.868 -10.426 1.00 0.00 H new ATOM 1185 N LYS A 72 -4.839 -19.878 -6.446 1.00 0.00 N ATOM 1186 CA LYS A 72 -4.864 -20.599 -5.140 1.00 0.00 C ATOM 1187 C LYS A 72 -3.437 -20.724 -4.600 1.00 0.00 C ATOM 1188 O LYS A 72 -3.063 -20.057 -3.653 1.00 0.00 O ATOM 1189 CB LYS A 72 -5.466 -21.997 -5.343 1.00 0.00 C ATOM 1190 CG LYS A 72 -6.908 -22.033 -4.810 1.00 0.00 C ATOM 1191 CD LYS A 72 -6.999 -22.989 -3.615 1.00 0.00 C ATOM 1192 CE LYS A 72 -7.536 -24.350 -4.071 1.00 0.00 C ATOM 1193 NZ LYS A 72 -8.573 -24.821 -3.108 1.00 0.00 N ATOM 0 H LYS A 72 -3.908 -19.700 -6.823 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.472 -20.044 -4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.455 -22.256 -6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.860 -22.741 -4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.219 -21.032 -4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.588 -22.356 -5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.016 -23.111 -3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.653 -22.568 -2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.962 -24.269 -5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.723 -25.073 -4.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.939 -25.745 -3.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.152 -24.913 -2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.353 -24.134 -3.074 1.00 0.00 H new ATOM 1207 N SER A 73 -2.644 -21.573 -5.198 1.00 0.00 N ATOM 1208 CA SER A 73 -1.239 -21.751 -4.730 1.00 0.00 C ATOM 1209 C SER A 73 -0.382 -20.592 -5.243 1.00 0.00 C ATOM 1210 O SER A 73 0.226 -19.871 -4.473 1.00 0.00 O ATOM 1211 CB SER A 73 -0.689 -23.074 -5.267 1.00 0.00 C ATOM 1212 OG SER A 73 -1.185 -23.290 -6.582 1.00 0.00 O ATOM 0 H SER A 73 -2.910 -22.153 -5.994 1.00 0.00 H new ATOM 0 HA SER A 73 -1.215 -21.764 -3.640 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.401 -23.051 -5.276 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.985 -23.896 -4.615 1.00 0.00 H new ATOM 0 HG SER A 73 -0.833 -24.136 -6.930 1.00 0.00 H new ATOM 1218 N GLY A 74 -0.333 -20.408 -6.538 1.00 0.00 N ATOM 1219 CA GLY A 74 0.482 -19.295 -7.111 1.00 0.00 C ATOM 1220 C GLY A 74 1.829 -19.839 -7.602 1.00 0.00 C ATOM 1221 O GLY A 74 2.407 -19.316 -8.531 1.00 0.00 O ATOM 0 H GLY A 74 -0.823 -20.982 -7.224 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.054 -18.826 -7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.643 -18.524 -6.357 1.00 0.00 H new ATOM 1225 N SER A 75 2.319 -20.887 -6.971 1.00 0.00 N ATOM 1226 CA SER A 75 3.636 -21.517 -7.349 1.00 0.00 C ATOM 1227 C SER A 75 4.789 -20.732 -6.721 1.00 0.00 C ATOM 1228 O SER A 75 5.452 -21.213 -5.821 1.00 0.00 O ATOM 1229 CB SER A 75 3.819 -21.577 -8.873 1.00 0.00 C ATOM 1230 OG SER A 75 4.735 -22.615 -9.194 1.00 0.00 O ATOM 0 H SER A 75 1.849 -21.344 -6.189 1.00 0.00 H new ATOM 0 HA SER A 75 3.636 -22.539 -6.970 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.861 -21.758 -9.359 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.189 -20.621 -9.245 1.00 0.00 H new ATOM 0 HG SER A 75 4.853 -22.658 -10.166 1.00 0.00 H new ATOM 1236 N MET A 76 5.033 -19.534 -7.182 1.00 0.00 N ATOM 1237 CA MET A 76 6.146 -18.721 -6.607 1.00 0.00 C ATOM 1238 C MET A 76 5.953 -17.247 -6.970 1.00 0.00 C ATOM 1239 O MET A 76 6.907 -16.496 -7.061 1.00 0.00 O ATOM 1240 CB MET A 76 7.481 -19.213 -7.169 1.00 0.00 C ATOM 1241 CG MET A 76 7.425 -19.211 -8.696 1.00 0.00 C ATOM 1242 SD MET A 76 9.099 -19.029 -9.359 1.00 0.00 S ATOM 1243 CE MET A 76 9.620 -20.747 -9.137 1.00 0.00 C ATOM 0 H MET A 76 4.510 -19.083 -7.932 1.00 0.00 H new ATOM 0 HA MET A 76 6.145 -18.828 -5.522 1.00 0.00 H new ATOM 0 HB2 MET A 76 8.291 -18.571 -6.824 1.00 0.00 H new ATOM 0 HB3 MET A 76 7.693 -20.218 -6.804 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.978 -20.138 -9.056 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.793 -18.395 -9.047 1.00 0.00 H new ATOM 0 HE1 MET A 76 10.645 -20.865 -9.488 1.00 0.00 H new ATOM 0 HE2 MET A 76 9.565 -21.010 -8.081 1.00 0.00 H new ATOM 0 HE3 MET A 76 8.964 -21.403 -9.709 1.00 0.00 H new ATOM 1253 N LEU A 77 4.728 -16.821 -7.167 1.00 0.00 N ATOM 1254 CA LEU A 77 4.475 -15.390 -7.511 1.00 0.00 C ATOM 1255 C LEU A 77 4.247 -14.572 -6.227 1.00 0.00 C ATOM 1256 O LEU A 77 3.739 -13.468 -6.275 1.00 0.00 O ATOM 1257 CB LEU A 77 3.238 -15.290 -8.412 1.00 0.00 C ATOM 1258 CG LEU A 77 3.488 -14.258 -9.516 1.00 0.00 C ATOM 1259 CD1 LEU A 77 4.399 -14.862 -10.585 1.00 0.00 C ATOM 1260 CD2 LEU A 77 2.156 -13.860 -10.154 1.00 0.00 C ATOM 0 H LEU A 77 3.894 -17.404 -7.104 1.00 0.00 H new ATOM 0 HA LEU A 77 5.342 -14.991 -8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.017 -16.262 -8.852 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.368 -15.002 -7.822 1.00 0.00 H new ATOM 0 HG LEU A 77 3.965 -13.378 -9.085 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.576 -14.127 -11.370 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.349 -15.147 -10.134 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.922 -15.743 -11.014 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.334 -13.126 -10.940 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.680 -14.742 -10.583 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.504 -13.428 -9.395 1.00 0.00 H new ATOM 1272 N SER A 78 4.620 -15.102 -5.085 1.00 0.00 N ATOM 1273 CA SER A 78 4.431 -14.361 -3.806 1.00 0.00 C ATOM 1274 C SER A 78 5.349 -14.968 -2.743 1.00 0.00 C ATOM 1275 O SER A 78 5.074 -16.023 -2.204 1.00 0.00 O ATOM 1276 CB SER A 78 2.975 -14.484 -3.354 1.00 0.00 C ATOM 1277 OG SER A 78 2.597 -13.304 -2.657 1.00 0.00 O ATOM 0 H SER A 78 5.049 -16.022 -4.989 1.00 0.00 H new ATOM 0 HA SER A 78 4.674 -13.308 -3.949 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.326 -14.634 -4.217 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.855 -15.355 -2.710 1.00 0.00 H new ATOM 0 HG SER A 78 1.664 -13.380 -2.368 1.00 0.00 H new ATOM 1283 N ASN A 79 6.444 -14.312 -2.446 1.00 0.00 N ATOM 1284 CA ASN A 79 7.396 -14.849 -1.425 1.00 0.00 C ATOM 1285 C ASN A 79 6.689 -14.983 -0.074 1.00 0.00 C ATOM 1286 O ASN A 79 6.362 -16.073 0.357 1.00 0.00 O ATOM 1287 CB ASN A 79 8.585 -13.893 -1.289 1.00 0.00 C ATOM 1288 CG ASN A 79 9.723 -14.355 -2.202 1.00 0.00 C ATOM 1289 OD1 ASN A 79 9.625 -14.258 -3.410 1.00 0.00 O ATOM 1290 ND2 ASN A 79 10.807 -14.855 -1.674 1.00 0.00 N ATOM 0 H ASN A 79 6.720 -13.425 -2.868 1.00 0.00 H new ATOM 0 HA ASN A 79 7.749 -15.830 -1.741 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.282 -12.880 -1.553 1.00 0.00 H new ATOM 0 HB3 ASN A 79 8.925 -13.864 -0.254 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.571 -15.164 -2.275 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.890 -14.937 -0.661 1.00 0.00 H new ATOM 1297 N ASN A 80 6.452 -13.883 0.595 1.00 0.00 N ATOM 1298 CA ASN A 80 5.766 -13.938 1.919 1.00 0.00 C ATOM 1299 C ASN A 80 4.973 -12.648 2.136 1.00 0.00 C ATOM 1300 O ASN A 80 3.757 -12.650 2.128 1.00 0.00 O ATOM 1301 CB ASN A 80 6.808 -14.089 3.028 1.00 0.00 C ATOM 1302 CG ASN A 80 7.147 -15.570 3.211 1.00 0.00 C ATOM 1303 OD1 ASN A 80 8.298 -15.953 3.152 1.00 0.00 O ATOM 1304 ND2 ASN A 80 6.185 -16.424 3.432 1.00 0.00 N ATOM 0 H ASN A 80 6.705 -12.947 0.279 1.00 0.00 H new ATOM 0 HA ASN A 80 5.087 -14.790 1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.707 -13.528 2.775 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.425 -13.675 3.961 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.400 -17.413 3.555 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.218 -16.102 3.481 1.00 0.00 H new ATOM 1311 N ASP A 81 5.656 -11.547 2.329 1.00 0.00 N ATOM 1312 CA ASP A 81 4.949 -10.250 2.548 1.00 0.00 C ATOM 1313 C ASP A 81 5.659 -9.139 1.768 1.00 0.00 C ATOM 1314 O ASP A 81 5.628 -7.986 2.153 1.00 0.00 O ATOM 1315 CB ASP A 81 4.960 -9.910 4.042 1.00 0.00 C ATOM 1316 CG ASP A 81 3.773 -9.003 4.371 1.00 0.00 C ATOM 1317 OD1 ASP A 81 2.719 -9.529 4.689 1.00 0.00 O ATOM 1318 OD2 ASP A 81 3.939 -7.795 4.301 1.00 0.00 O ATOM 0 H ASP A 81 6.674 -11.492 2.344 1.00 0.00 H new ATOM 0 HA ASP A 81 3.920 -10.336 2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.907 -10.824 4.634 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.894 -9.413 4.305 1.00 0.00 H new ATOM 1323 N SER A 82 6.296 -9.480 0.674 1.00 0.00 N ATOM 1324 CA SER A 82 7.008 -8.445 -0.136 1.00 0.00 C ATOM 1325 C SER A 82 6.316 -8.263 -1.494 1.00 0.00 C ATOM 1326 O SER A 82 6.891 -7.717 -2.417 1.00 0.00 O ATOM 1327 CB SER A 82 8.454 -8.885 -0.363 1.00 0.00 C ATOM 1328 OG SER A 82 9.196 -7.797 -0.901 1.00 0.00 O ATOM 0 H SER A 82 6.353 -10.430 0.308 1.00 0.00 H new ATOM 0 HA SER A 82 6.987 -7.498 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.898 -9.214 0.576 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.485 -9.735 -1.045 1.00 0.00 H new ATOM 0 HG SER A 82 8.717 -7.422 -1.669 1.00 0.00 H new ATOM 1334 N ARG A 83 5.087 -8.704 -1.623 1.00 0.00 N ATOM 1335 CA ARG A 83 4.360 -8.546 -2.919 1.00 0.00 C ATOM 1336 C ARG A 83 2.956 -8.012 -2.634 1.00 0.00 C ATOM 1337 O ARG A 83 2.043 -8.763 -2.345 1.00 0.00 O ATOM 1338 CB ARG A 83 4.265 -9.899 -3.633 1.00 0.00 C ATOM 1339 CG ARG A 83 3.919 -9.683 -5.114 1.00 0.00 C ATOM 1340 CD ARG A 83 2.464 -10.088 -5.372 1.00 0.00 C ATOM 1341 NE ARG A 83 2.052 -9.627 -6.730 1.00 0.00 N ATOM 1342 CZ ARG A 83 2.070 -10.459 -7.737 1.00 0.00 C ATOM 1343 NH1 ARG A 83 3.181 -10.671 -8.389 1.00 0.00 N ATOM 1344 NH2 ARG A 83 0.978 -11.077 -8.093 1.00 0.00 N ATOM 0 H ARG A 83 4.557 -9.167 -0.885 1.00 0.00 H new ATOM 0 HA ARG A 83 4.899 -7.849 -3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.211 -10.434 -3.545 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.503 -10.518 -3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.068 -8.637 -5.383 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.587 -10.272 -5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.358 -11.170 -5.296 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.814 -9.650 -4.615 1.00 0.00 H new ATOM 0 HE ARG A 83 1.756 -8.661 -6.872 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.035 -10.187 -8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.195 -11.321 -9.175 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.109 -10.911 -7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.993 -11.726 -8.879 1.00 0.00 H new ATOM 1358 N TRP A 84 2.787 -6.717 -2.696 1.00 0.00 N ATOM 1359 CA TRP A 84 1.453 -6.116 -2.411 1.00 0.00 C ATOM 1360 C TRP A 84 0.678 -5.904 -3.714 1.00 0.00 C ATOM 1361 O TRP A 84 1.161 -5.282 -4.640 1.00 0.00 O ATOM 1362 CB TRP A 84 1.652 -4.773 -1.710 1.00 0.00 C ATOM 1363 CG TRP A 84 2.252 -5.007 -0.359 1.00 0.00 C ATOM 1364 CD1 TRP A 84 3.478 -5.533 -0.134 1.00 0.00 C ATOM 1365 CD2 TRP A 84 1.674 -4.737 0.949 1.00 0.00 C ATOM 1366 NE1 TRP A 84 3.691 -5.600 1.231 1.00 0.00 N ATOM 1367 CE2 TRP A 84 2.607 -5.122 1.942 1.00 0.00 C ATOM 1368 CE3 TRP A 84 0.445 -4.201 1.367 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 2.327 -4.980 3.302 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 0.159 -4.057 2.735 1.00 0.00 C ATOM 1371 CH2 TRP A 84 1.098 -4.446 3.700 1.00 0.00 C ATOM 0 H TRP A 84 3.520 -6.048 -2.933 1.00 0.00 H new ATOM 0 HA TRP A 84 0.884 -6.790 -1.771 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.303 -4.132 -2.304 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.698 -4.255 -1.613 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.176 -5.849 -0.895 1.00 0.00 H new ATOM 0 HE1 TRP A 84 4.544 -5.958 1.660 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.285 -3.897 0.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.055 -5.281 4.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.790 -3.644 3.045 1.00 0.00 H new ATOM 0 HH2 TRP A 84 0.872 -4.333 4.750 1.00 0.00 H new ATOM 1382 N GLU A 85 -0.526 -6.412 -3.781 1.00 0.00 N ATOM 1383 CA GLU A 85 -1.354 -6.239 -5.010 1.00 0.00 C ATOM 1384 C GLU A 85 -2.475 -5.239 -4.710 1.00 0.00 C ATOM 1385 O GLU A 85 -2.819 -5.018 -3.565 1.00 0.00 O ATOM 1386 CB GLU A 85 -1.950 -7.590 -5.417 1.00 0.00 C ATOM 1387 CG GLU A 85 -0.955 -8.339 -6.304 1.00 0.00 C ATOM 1388 CD GLU A 85 -1.258 -8.044 -7.774 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -1.142 -6.893 -8.160 1.00 0.00 O ATOM 1390 OE2 GLU A 85 -1.600 -8.972 -8.488 1.00 0.00 O ATOM 0 H GLU A 85 -0.972 -6.942 -3.032 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.740 -5.864 -5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.179 -8.181 -4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.888 -7.440 -5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.064 -8.034 -6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.020 -9.411 -6.116 1.00 0.00 H new ATOM 1397 N PHE A 86 -3.036 -4.622 -5.722 1.00 0.00 N ATOM 1398 CA PHE A 86 -4.124 -3.623 -5.478 1.00 0.00 C ATOM 1399 C PHE A 86 -5.111 -3.610 -6.649 1.00 0.00 C ATOM 1400 O PHE A 86 -4.872 -2.970 -7.655 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.511 -2.226 -5.343 1.00 0.00 C ATOM 1402 CG PHE A 86 -2.561 -2.188 -4.171 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -1.220 -2.552 -4.341 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -3.021 -1.782 -2.915 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -0.341 -2.513 -3.251 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -2.144 -1.742 -1.825 1.00 0.00 C ATOM 1407 CZ PHE A 86 -0.802 -2.107 -1.993 1.00 0.00 C ATOM 0 H PHE A 86 -2.789 -4.766 -6.701 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.650 -3.899 -4.564 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.982 -1.962 -6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.299 -1.486 -5.206 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.863 -2.863 -5.312 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.055 -1.499 -2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.693 -2.796 -3.381 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.502 -1.430 -0.855 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.124 -2.075 -1.153 1.00 0.00 H new ATOM 1417 N GLU A 87 -6.224 -4.290 -6.520 1.00 0.00 N ATOM 1418 CA GLU A 87 -7.230 -4.289 -7.625 1.00 0.00 C ATOM 1419 C GLU A 87 -8.497 -3.555 -7.160 1.00 0.00 C ATOM 1420 O GLU A 87 -8.859 -3.600 -5.996 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.569 -5.733 -8.037 1.00 0.00 C ATOM 1422 CG GLU A 87 -8.322 -6.456 -6.908 1.00 0.00 C ATOM 1423 CD GLU A 87 -8.725 -7.871 -7.351 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -8.441 -8.234 -8.482 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -9.314 -8.571 -6.542 1.00 0.00 O ATOM 0 H GLU A 87 -6.478 -4.843 -5.701 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.814 -3.774 -8.491 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.178 -5.725 -8.941 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.653 -6.274 -8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.692 -6.512 -6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.211 -5.888 -6.633 1.00 0.00 H new ATOM 1432 N ASN A 88 -9.170 -2.886 -8.064 1.00 0.00 N ATOM 1433 CA ASN A 88 -10.412 -2.150 -7.688 1.00 0.00 C ATOM 1434 C ASN A 88 -11.636 -2.908 -8.213 1.00 0.00 C ATOM 1435 O ASN A 88 -12.174 -2.589 -9.256 1.00 0.00 O ATOM 1436 CB ASN A 88 -10.378 -0.748 -8.299 1.00 0.00 C ATOM 1437 CG ASN A 88 -11.572 0.062 -7.790 1.00 0.00 C ATOM 1438 OD1 ASN A 88 -11.877 0.041 -6.613 1.00 0.00 O ATOM 1439 ND2 ASN A 88 -12.265 0.777 -8.631 1.00 0.00 N ATOM 0 H ASN A 88 -8.910 -2.819 -9.048 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.473 -2.072 -6.603 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.447 -0.247 -8.034 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.407 -0.813 -9.387 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -13.064 1.319 -8.302 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.009 0.794 -9.618 1.00 0.00 H new ATOM 1446 N GLU A 89 -12.076 -3.911 -7.493 1.00 0.00 N ATOM 1447 CA GLU A 89 -13.267 -4.702 -7.934 1.00 0.00 C ATOM 1448 C GLU A 89 -12.995 -5.334 -9.301 1.00 0.00 C ATOM 1449 O GLU A 89 -13.040 -4.671 -10.319 1.00 0.00 O ATOM 1450 CB GLU A 89 -14.487 -3.784 -8.038 1.00 0.00 C ATOM 1451 CG GLU A 89 -15.752 -4.636 -8.158 1.00 0.00 C ATOM 1452 CD GLU A 89 -16.952 -3.729 -8.431 1.00 0.00 C ATOM 1453 OE1 GLU A 89 -17.528 -3.239 -7.474 1.00 0.00 O ATOM 1454 OE2 GLU A 89 -17.274 -3.538 -9.592 1.00 0.00 O ATOM 0 H GLU A 89 -11.659 -4.217 -6.614 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.461 -5.487 -7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.549 -3.142 -7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.392 -3.130 -8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.640 -5.361 -8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -15.911 -5.201 -7.240 1.00 0.00 H new ATOM 1461 N ARG A 90 -12.719 -6.613 -9.327 1.00 0.00 N ATOM 1462 CA ARG A 90 -12.448 -7.297 -10.626 1.00 0.00 C ATOM 1463 C ARG A 90 -13.711 -7.260 -11.490 1.00 0.00 C ATOM 1464 O ARG A 90 -13.733 -6.648 -12.541 1.00 0.00 O ATOM 1465 CB ARG A 90 -12.050 -8.749 -10.366 1.00 0.00 C ATOM 1466 CG ARG A 90 -11.107 -9.220 -11.473 1.00 0.00 C ATOM 1467 CD ARG A 90 -11.330 -10.709 -11.734 1.00 0.00 C ATOM 1468 NE ARG A 90 -10.279 -11.210 -12.662 1.00 0.00 N ATOM 1469 CZ ARG A 90 -10.618 -11.869 -13.737 1.00 0.00 C ATOM 1470 NH1 ARG A 90 -10.845 -13.152 -13.670 1.00 0.00 N ATOM 1471 NH2 ARG A 90 -10.732 -11.243 -14.875 1.00 0.00 N ATOM 0 H ARG A 90 -12.670 -7.213 -8.504 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.636 -6.787 -11.144 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.562 -8.836 -9.395 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -12.937 -9.381 -10.335 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.286 -8.650 -12.384 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.071 -9.042 -11.183 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.297 -11.263 -10.796 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.318 -10.870 -12.165 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.294 -11.038 -12.458 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.758 -13.639 -12.778 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.110 -13.668 -14.509 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.556 -10.239 -14.925 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.997 -11.757 -15.715 1.00 0.00 H new ATOM 1485 N HIS A 91 -14.760 -7.911 -11.055 1.00 0.00 N ATOM 1486 CA HIS A 91 -16.024 -7.915 -11.847 1.00 0.00 C ATOM 1487 C HIS A 91 -17.220 -7.792 -10.901 1.00 0.00 C ATOM 1488 O HIS A 91 -17.163 -8.205 -9.759 1.00 0.00 O ATOM 1489 CB HIS A 91 -16.128 -9.221 -12.640 1.00 0.00 C ATOM 1490 CG HIS A 91 -16.848 -8.965 -13.936 1.00 0.00 C ATOM 1491 ND1 HIS A 91 -18.204 -9.204 -14.085 1.00 0.00 N ATOM 1492 CD2 HIS A 91 -16.416 -8.492 -15.150 1.00 0.00 C ATOM 1493 CE1 HIS A 91 -18.538 -8.877 -15.346 1.00 0.00 C ATOM 1494 NE2 HIS A 91 -17.486 -8.436 -16.040 1.00 0.00 N ATOM 0 H HIS A 91 -14.794 -8.440 -10.184 1.00 0.00 H new ATOM 0 HA HIS A 91 -16.021 -7.072 -12.538 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -15.133 -9.619 -12.837 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -16.662 -9.971 -12.057 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -15.400 -8.206 -15.380 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -19.537 -8.961 -15.749 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -17.469 -8.125 -17.011 1.00 0.00 H new ATOM 1502 N ALA A 92 -18.301 -7.222 -11.370 1.00 0.00 N ATOM 1503 CA ALA A 92 -19.506 -7.063 -10.505 1.00 0.00 C ATOM 1504 C ALA A 92 -20.728 -6.782 -11.380 1.00 0.00 C ATOM 1505 O ALA A 92 -21.499 -7.701 -11.597 1.00 0.00 O ATOM 1506 CB ALA A 92 -19.288 -5.895 -9.542 1.00 0.00 C ATOM 1507 OXT ALA A 92 -20.872 -5.653 -11.818 1.00 0.00 O ATOM 0 H ALA A 92 -18.400 -6.859 -12.318 1.00 0.00 H new ATOM 0 HA ALA A 92 -19.670 -7.978 -9.936 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -20.167 -5.777 -8.909 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -18.416 -6.095 -8.919 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -19.125 -4.980 -10.111 1.00 0.00 H new TER 1513 ALA A 92