USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 864 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 34 THR OG1 : rot 166:sc= 0.812! USER MOD Set 1.2: A 38 CYS SG : rot -148:sc= 1.14! USER MOD Set 1.3: A 41 CYS SG : rot 140:sc= 0.312! USER MOD Set 2.1: A 21 LYS NZ :NH3+ 165:sc=-0.00292 (180deg=-0.14) USER MOD Set 2.2: A 27 LYS NZ :NH3+ -116:sc= 0.0956 (180deg=0) USER MOD Set 2.3: A 59 THR OG1 : rot 180:sc= 0.0885 USER MOD Set 3.1: A 9 CYS SG : rot 78:sc= -4.4! USER MOD Set 3.2: A 14 THR OG1 : rot -120:sc= -0.162 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 11 THR OG1 : rot 137:sc= 0.0237 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.0848 K(o=-0.085,f=-0.73) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0596 X(o=-0.06,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.413 K(o=-0.41,f=-2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl -131:sc= -0.835 (180deg=-4.45) USER MOD Single : A 82 THR OG1 : rot 59:sc= 0.351 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0.016) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 3 -8.765 7.473 11.701 1.00 0.00 N ATOM 29 CA GLU A 3 -7.689 6.595 11.126 1.00 0.00 C ATOM 30 C GLU A 3 -8.136 5.598 10.009 1.00 0.00 C ATOM 31 O GLU A 3 -9.292 5.066 9.895 1.00 0.00 O ATOM 32 CB GLU A 3 -6.877 5.808 12.245 1.00 0.00 C ATOM 33 CG GLU A 3 -7.668 4.752 13.111 1.00 0.00 C ATOM 34 CD GLU A 3 -8.427 5.216 14.340 1.00 0.00 C ATOM 35 OE1 GLU A 3 -7.817 5.706 15.329 1.00 0.00 O ATOM 36 OE2 GLU A 3 -9.788 5.288 14.113 1.00 0.00 O ATOM 0 HA GLU A 3 -7.039 7.320 10.636 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.049 5.292 11.759 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.442 6.542 12.924 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.382 4.258 12.452 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.955 3.994 13.434 1.00 0.00 H new ATOM 44 N GLY A 4 -7.131 5.281 9.168 1.00 0.00 N ATOM 45 CA GLY A 4 -7.003 4.027 8.421 1.00 0.00 C ATOM 46 C GLY A 4 -6.565 2.861 9.313 1.00 0.00 C ATOM 47 O GLY A 4 -6.652 2.926 10.561 1.00 0.00 O ATOM 0 H GLY A 4 -6.358 5.922 8.988 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.958 3.786 7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.279 4.158 7.617 1.00 0.00 H new ATOM 51 N GLN A 5 -6.176 1.804 8.641 1.00 0.00 N ATOM 52 CA GLN A 5 -5.897 0.450 9.231 1.00 0.00 C ATOM 53 C GLN A 5 -4.771 -0.220 8.355 1.00 0.00 C ATOM 54 O GLN A 5 -4.972 -0.415 7.147 1.00 0.00 O ATOM 55 CB GLN A 5 -7.288 -0.300 9.244 1.00 0.00 C ATOM 56 CG GLN A 5 -7.840 -0.923 7.894 1.00 0.00 C ATOM 57 CD GLN A 5 -9.252 -1.508 8.078 1.00 0.00 C ATOM 58 OE1 GLN A 5 -10.222 -0.906 7.593 1.00 0.00 O ATOM 59 NE2 GLN A 5 -9.358 -2.706 8.607 1.00 0.00 N ATOM 0 H GLN A 5 -6.030 1.829 7.632 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.515 0.449 10.252 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.220 -1.106 9.974 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.036 0.402 9.612 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.861 -0.156 7.120 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.163 -1.705 7.550 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.535 -3.167 8.995 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.263 -3.175 8.629 1.00 0.00 H new ATOM 68 N VAL A 6 -3.560 -0.377 8.910 1.00 0.00 N ATOM 69 CA VAL A 6 -2.367 -1.088 8.350 1.00 0.00 C ATOM 70 C VAL A 6 -2.474 -2.571 8.701 1.00 0.00 C ATOM 71 O VAL A 6 -2.378 -2.996 9.826 1.00 0.00 O ATOM 72 CB VAL A 6 -0.951 -0.555 8.715 1.00 0.00 C ATOM 73 CG1 VAL A 6 0.254 -1.385 8.301 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.797 0.843 8.086 1.00 0.00 C ATOM 0 H VAL A 6 -3.358 0.013 9.831 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.422 -0.892 7.279 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.930 -0.578 9.805 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.168 -0.886 8.624 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.195 -2.369 8.765 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.265 -1.495 7.217 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.188 1.243 8.325 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.906 0.769 7.004 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.565 1.507 8.483 1.00 0.00 H new ATOM 84 N ILE A 7 -2.663 -3.423 7.749 1.00 0.00 N ATOM 85 CA ILE A 7 -3.141 -4.816 7.831 1.00 0.00 C ATOM 86 C ILE A 7 -2.163 -5.707 6.876 1.00 0.00 C ATOM 87 O ILE A 7 -1.880 -5.430 5.706 1.00 0.00 O ATOM 88 CB ILE A 7 -4.720 -4.880 7.509 1.00 0.00 C ATOM 89 CG1 ILE A 7 -5.477 -5.968 8.211 1.00 0.00 C ATOM 90 CG2 ILE A 7 -5.050 -4.848 5.984 1.00 0.00 C ATOM 91 CD1 ILE A 7 -4.959 -7.383 8.144 1.00 0.00 C ATOM 0 H ILE A 7 -2.475 -3.160 6.782 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.075 -5.243 8.832 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.088 -3.950 7.942 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.547 -5.693 9.263 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -6.492 -5.971 7.814 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.130 -4.894 5.844 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.667 -3.925 5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.584 -5.702 5.493 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.624 -8.041 8.704 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.919 -7.707 7.104 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.959 -7.425 8.576 1.00 0.00 H new ATOM 103 N ALA A 8 -1.625 -6.807 7.487 1.00 0.00 N ATOM 104 CA ALA A 8 -0.958 -7.927 6.818 1.00 0.00 C ATOM 105 C ALA A 8 -1.848 -8.720 5.779 1.00 0.00 C ATOM 106 O ALA A 8 -3.027 -8.974 6.119 1.00 0.00 O ATOM 107 CB ALA A 8 -0.465 -8.894 7.950 1.00 0.00 C ATOM 0 H ALA A 8 -1.655 -6.924 8.500 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.146 -7.519 6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.041 -9.749 7.503 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.227 -8.365 8.605 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.320 -9.241 8.530 1.00 0.00 H new ATOM 113 N CYS A 9 -1.250 -9.188 4.729 1.00 0.00 N ATOM 114 CA CYS A 9 -1.959 -9.696 3.575 1.00 0.00 C ATOM 115 C CYS A 9 -0.983 -10.771 3.005 1.00 0.00 C ATOM 116 O CYS A 9 0.242 -10.631 3.057 1.00 0.00 O ATOM 117 CB CYS A 9 -2.230 -8.513 2.573 1.00 0.00 C ATOM 118 SG CYS A 9 -3.413 -7.349 3.436 1.00 0.00 S ATOM 0 H CYS A 9 -0.235 -9.233 4.639 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.938 -10.125 3.787 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.302 -8.003 2.315 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.660 -8.883 1.642 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.762 -6.633 4.304 1.00 0.00 H new ATOM 124 N HIS A 10 -1.547 -11.877 2.523 1.00 0.00 N ATOM 125 CA HIS A 10 -0.855 -13.160 2.150 1.00 0.00 C ATOM 126 C HIS A 10 -1.460 -14.019 0.940 1.00 0.00 C ATOM 127 O HIS A 10 -0.830 -14.987 0.534 1.00 0.00 O ATOM 128 CB HIS A 10 -0.837 -14.140 3.382 1.00 0.00 C ATOM 129 CG HIS A 10 0.077 -13.813 4.554 1.00 0.00 C ATOM 130 ND1 HIS A 10 1.490 -13.770 4.487 1.00 0.00 N ATOM 131 CD2 HIS A 10 -0.381 -13.184 5.774 1.00 0.00 C ATOM 132 CE1 HIS A 10 1.766 -13.067 5.654 1.00 0.00 C ATOM 133 NE2 HIS A 10 0.722 -12.677 6.482 1.00 0.00 N ATOM 0 H HIS A 10 -2.553 -11.930 2.365 1.00 0.00 H new ATOM 0 HA HIS A 10 0.121 -12.799 1.825 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.855 -14.211 3.765 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.565 -15.130 3.015 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.411 -13.115 6.091 1.00 0.00 H new ATOM 0 HE1 HIS A 10 2.786 -12.826 5.915 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.748 -12.163 7.363 1.00 0.00 H new ATOM 141 N THR A 11 -2.685 -13.813 0.455 1.00 0.00 N ATOM 142 CA THR A 11 -3.528 -14.823 -0.253 1.00 0.00 C ATOM 143 C THR A 11 -4.406 -14.101 -1.373 1.00 0.00 C ATOM 144 O THR A 11 -4.233 -12.961 -1.679 1.00 0.00 O ATOM 145 CB THR A 11 -4.317 -15.653 0.765 1.00 0.00 C ATOM 146 OG1 THR A 11 -5.026 -14.806 1.687 1.00 0.00 O ATOM 147 CG2 THR A 11 -3.688 -16.817 1.575 1.00 0.00 C ATOM 0 H THR A 11 -3.150 -12.909 0.539 1.00 0.00 H new ATOM 0 HA THR A 11 -2.912 -15.545 -0.790 1.00 0.00 H new ATOM 0 HB THR A 11 -4.931 -16.199 0.049 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.930 -15.159 1.827 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.442 -17.253 2.231 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.319 -17.579 0.889 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.861 -16.437 2.175 1.00 0.00 H new ATOM 155 N VAL A 12 -5.324 -14.860 -2.027 1.00 0.00 N ATOM 156 CA VAL A 12 -6.505 -14.316 -2.793 1.00 0.00 C ATOM 157 C VAL A 12 -7.602 -13.501 -1.923 1.00 0.00 C ATOM 158 O VAL A 12 -8.505 -12.780 -2.478 1.00 0.00 O ATOM 159 CB VAL A 12 -7.057 -15.509 -3.656 1.00 0.00 C ATOM 160 CG1 VAL A 12 -7.714 -16.687 -2.828 1.00 0.00 C ATOM 161 CG2 VAL A 12 -8.037 -15.014 -4.781 1.00 0.00 C ATOM 0 H VAL A 12 -5.275 -15.879 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.182 -13.505 -3.446 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.166 -15.936 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.064 -17.461 -3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.975 -17.110 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.557 -16.302 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.395 -15.869 -5.354 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.884 -14.502 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.512 -14.327 -5.445 1.00 0.00 H new ATOM 171 N ASP A 13 -7.520 -13.617 -0.603 1.00 0.00 N ATOM 172 CA ASP A 13 -8.253 -12.800 0.383 1.00 0.00 C ATOM 173 C ASP A 13 -8.005 -11.242 0.387 1.00 0.00 C ATOM 174 O ASP A 13 -8.845 -10.421 0.615 1.00 0.00 O ATOM 175 CB ASP A 13 -8.198 -13.261 1.865 1.00 0.00 C ATOM 176 CG ASP A 13 -8.999 -14.537 2.040 1.00 0.00 C ATOM 177 OD1 ASP A 13 -10.242 -14.645 2.115 1.00 0.00 O ATOM 178 OD2 ASP A 13 -8.169 -15.640 2.191 1.00 0.00 O ATOM 0 H ASP A 13 -6.917 -14.311 -0.161 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.242 -12.997 -0.031 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.163 -13.427 2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.596 -12.480 2.513 1.00 0.00 H new ATOM 184 N THR A 14 -6.707 -10.906 0.189 1.00 0.00 N ATOM 185 CA THR A 14 -6.259 -9.566 -0.199 1.00 0.00 C ATOM 186 C THR A 14 -6.708 -9.000 -1.540 1.00 0.00 C ATOM 187 O THR A 14 -6.925 -7.778 -1.606 1.00 0.00 O ATOM 188 CB THR A 14 -4.722 -9.420 -0.033 1.00 0.00 C ATOM 189 OG1 THR A 14 -4.560 -8.080 0.351 1.00 0.00 O ATOM 190 CG2 THR A 14 -3.798 -9.581 -1.249 1.00 0.00 C ATOM 0 H THR A 14 -5.942 -11.572 0.298 1.00 0.00 H new ATOM 0 HA THR A 14 -6.801 -8.940 0.510 1.00 0.00 H new ATOM 0 HB THR A 14 -4.430 -10.229 0.636 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.001 -7.616 -0.307 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.762 -9.445 -0.939 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.923 -10.578 -1.671 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.053 -8.834 -2.001 1.00 0.00 H new ATOM 198 N TRP A 15 -6.772 -9.862 -2.602 1.00 0.00 N ATOM 199 CA TRP A 15 -7.604 -9.500 -3.801 1.00 0.00 C ATOM 200 C TRP A 15 -9.020 -9.002 -3.437 1.00 0.00 C ATOM 201 O TRP A 15 -9.360 -7.915 -3.894 1.00 0.00 O ATOM 202 CB TRP A 15 -7.686 -10.642 -4.805 1.00 0.00 C ATOM 203 CG TRP A 15 -6.619 -10.693 -5.866 1.00 0.00 C ATOM 204 CD1 TRP A 15 -5.233 -11.083 -5.772 1.00 0.00 C ATOM 205 CD2 TRP A 15 -6.775 -10.389 -7.223 1.00 0.00 C ATOM 206 NE1 TRP A 15 -4.584 -11.034 -7.026 1.00 0.00 N ATOM 207 CE2 TRP A 15 -5.579 -10.600 -7.903 1.00 0.00 C ATOM 208 CE3 TRP A 15 -7.936 -10.036 -7.953 1.00 0.00 C ATOM 209 CZ2 TRP A 15 -5.496 -10.464 -9.316 1.00 0.00 C ATOM 210 CZ3 TRP A 15 -7.825 -9.802 -9.332 1.00 0.00 C ATOM 211 CH2 TRP A 15 -6.639 -10.058 -10.020 1.00 0.00 C ATOM 0 H TRP A 15 -6.290 -10.759 -2.658 1.00 0.00 H new ATOM 0 HA TRP A 15 -7.082 -8.665 -4.268 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.661 -11.582 -4.253 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.655 -10.589 -5.301 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.749 -11.377 -4.852 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.613 -11.263 -7.241 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.891 -9.948 -7.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -4.572 -10.669 -9.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -8.676 -9.415 -9.872 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.601 -9.944 -11.093 1.00 0.00 H new ATOM 222 N LYS A 16 -9.816 -9.706 -2.681 1.00 0.00 N ATOM 223 CA LYS A 16 -11.022 -9.186 -2.035 1.00 0.00 C ATOM 224 C LYS A 16 -10.983 -7.834 -1.165 1.00 0.00 C ATOM 225 O LYS A 16 -11.962 -7.085 -1.175 1.00 0.00 O ATOM 226 CB LYS A 16 -11.693 -10.322 -1.185 1.00 0.00 C ATOM 227 CG LYS A 16 -12.024 -11.686 -1.899 1.00 0.00 C ATOM 228 CD LYS A 16 -12.987 -12.542 -1.126 1.00 0.00 C ATOM 229 CE LYS A 16 -12.320 -13.296 0.099 1.00 0.00 C ATOM 230 NZ LYS A 16 -13.143 -14.378 0.636 1.00 0.00 N ATOM 0 H LYS A 16 -9.651 -10.693 -2.482 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.593 -8.862 -2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.038 -10.538 -0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.622 -9.927 -0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.442 -11.480 -2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.099 -12.241 -2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.801 -11.918 -0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.428 -13.278 -1.799 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.359 -13.703 -0.215 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.118 -12.576 0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.649 -14.828 1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.051 -13.993 0.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.316 -15.085 -0.107 1.00 0.00 H new ATOM 243 N GLU A 17 -9.925 -7.516 -0.466 1.00 0.00 N ATOM 244 CA GLU A 17 -9.611 -6.315 0.277 1.00 0.00 C ATOM 245 C GLU A 17 -9.177 -5.064 -0.591 1.00 0.00 C ATOM 246 O GLU A 17 -9.909 -4.030 -0.489 1.00 0.00 O ATOM 247 CB GLU A 17 -8.613 -6.482 1.438 1.00 0.00 C ATOM 248 CG GLU A 17 -9.070 -7.469 2.530 1.00 0.00 C ATOM 249 CD GLU A 17 -7.744 -7.905 3.271 1.00 0.00 C ATOM 250 OE1 GLU A 17 -6.920 -7.129 3.791 1.00 0.00 O ATOM 251 OE2 GLU A 17 -7.679 -9.329 3.402 1.00 0.00 O ATOM 0 H GLU A 17 -9.157 -8.183 -0.393 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.592 -6.109 0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.658 -6.820 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.439 -5.508 1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.770 -6.998 3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.580 -8.329 2.096 1.00 0.00 H new ATOM 259 N HIS A 18 -8.120 -5.222 -1.376 1.00 0.00 N ATOM 260 CA HIS A 18 -7.598 -4.222 -2.322 1.00 0.00 C ATOM 261 C HIS A 18 -8.648 -3.618 -3.323 1.00 0.00 C ATOM 262 O HIS A 18 -8.912 -2.421 -3.280 1.00 0.00 O ATOM 263 CB HIS A 18 -6.385 -5.079 -2.916 1.00 0.00 C ATOM 264 CG HIS A 18 -5.570 -4.371 -3.997 1.00 0.00 C ATOM 265 ND1 HIS A 18 -5.966 -3.509 -4.994 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.308 -4.936 -4.385 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.890 -3.512 -5.819 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.807 -4.390 -5.591 1.00 0.00 N ATOM 0 H HIS A 18 -7.574 -6.084 -1.378 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.293 -3.264 -1.900 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.718 -5.353 -2.099 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.782 -6.007 -3.329 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.795 -5.698 -3.816 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.861 -2.835 -6.660 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.952 -4.570 -6.118 1.00 0.00 H new ATOM 276 N PHE A 19 -9.170 -4.524 -4.113 1.00 0.00 N ATOM 277 CA PHE A 19 -10.162 -4.329 -5.193 1.00 0.00 C ATOM 278 C PHE A 19 -11.616 -3.889 -4.771 1.00 0.00 C ATOM 279 O PHE A 19 -11.969 -2.756 -5.148 1.00 0.00 O ATOM 280 CB PHE A 19 -10.174 -5.594 -6.161 1.00 0.00 C ATOM 281 CG PHE A 19 -8.987 -5.852 -7.078 1.00 0.00 C ATOM 282 CD1 PHE A 19 -7.805 -6.453 -6.658 1.00 0.00 C ATOM 283 CD2 PHE A 19 -9.064 -5.538 -8.463 1.00 0.00 C ATOM 284 CE1 PHE A 19 -6.620 -6.435 -7.439 1.00 0.00 C ATOM 285 CE2 PHE A 19 -7.938 -5.489 -9.287 1.00 0.00 C ATOM 286 CZ PHE A 19 -6.698 -5.928 -8.743 1.00 0.00 C ATOM 0 H PHE A 19 -8.903 -5.505 -4.027 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.808 -3.446 -5.725 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.303 -6.479 -5.539 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.061 -5.514 -6.790 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.788 -6.953 -5.701 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.032 -5.329 -8.894 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.686 -6.801 -7.040 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.006 -5.130 -10.303 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.803 -5.869 -9.345 1.00 0.00 H new ATOM 296 N GLU A 20 -12.381 -4.576 -3.897 1.00 0.00 N ATOM 297 CA GLU A 20 -13.671 -4.168 -3.267 1.00 0.00 C ATOM 298 C GLU A 20 -13.667 -2.863 -2.429 1.00 0.00 C ATOM 299 O GLU A 20 -14.617 -2.074 -2.541 1.00 0.00 O ATOM 300 CB GLU A 20 -14.292 -5.406 -2.482 1.00 0.00 C ATOM 301 CG GLU A 20 -14.559 -6.786 -3.139 1.00 0.00 C ATOM 302 CD GLU A 20 -15.438 -6.656 -4.332 1.00 0.00 C ATOM 303 OE1 GLU A 20 -16.660 -6.783 -4.356 1.00 0.00 O ATOM 304 OE2 GLU A 20 -14.677 -6.374 -5.465 1.00 0.00 O ATOM 0 H GLU A 20 -12.098 -5.504 -3.584 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.318 -3.884 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.635 -5.592 -1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.247 -5.067 -2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.613 -7.242 -3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.024 -7.453 -2.413 1.00 0.00 H new ATOM 312 N LYS A 21 -12.717 -2.617 -1.470 1.00 0.00 N ATOM 313 CA LYS A 21 -12.431 -1.226 -0.914 1.00 0.00 C ATOM 314 C LYS A 21 -12.115 -0.127 -1.968 1.00 0.00 C ATOM 315 O LYS A 21 -12.931 0.844 -2.090 1.00 0.00 O ATOM 316 CB LYS A 21 -11.278 -1.215 0.161 1.00 0.00 C ATOM 317 CG LYS A 21 -11.561 -2.127 1.390 1.00 0.00 C ATOM 318 CD LYS A 21 -12.685 -1.642 2.353 1.00 0.00 C ATOM 319 CE LYS A 21 -12.481 -2.177 3.797 1.00 0.00 C ATOM 320 NZ LYS A 21 -11.337 -1.610 4.485 1.00 0.00 N ATOM 0 H LYS A 21 -12.135 -3.348 -1.062 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.386 -0.972 -0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.349 -1.535 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.124 -0.192 0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.824 -3.121 1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.639 -2.230 1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.704 -0.552 2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.653 -1.972 1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.379 -1.971 4.379 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.367 -3.260 3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.409 -1.812 5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.463 -2.030 4.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.318 -0.581 4.336 1.00 0.00 H new ATOM 333 N GLY A 22 -11.006 -0.296 -2.767 1.00 0.00 N ATOM 334 CA GLY A 22 -10.598 0.569 -3.885 1.00 0.00 C ATOM 335 C GLY A 22 -11.678 1.117 -4.815 1.00 0.00 C ATOM 336 O GLY A 22 -11.993 2.323 -4.680 1.00 0.00 O ATOM 0 H GLY A 22 -10.361 -1.074 -2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.059 1.419 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.888 0.010 -4.495 1.00 0.00 H new ATOM 340 N LYS A 23 -11.996 0.312 -5.826 1.00 0.00 N ATOM 341 CA LYS A 23 -13.291 0.355 -6.560 1.00 0.00 C ATOM 342 C LYS A 23 -14.445 -0.273 -5.685 1.00 0.00 C ATOM 343 O LYS A 23 -14.743 -1.494 -5.710 1.00 0.00 O ATOM 344 CB LYS A 23 -13.092 -0.398 -7.885 1.00 0.00 C ATOM 345 CG LYS A 23 -14.359 -0.514 -8.745 1.00 0.00 C ATOM 346 CD LYS A 23 -14.881 -1.960 -9.136 1.00 0.00 C ATOM 347 CE LYS A 23 -13.876 -2.985 -9.550 1.00 0.00 C ATOM 348 NZ LYS A 23 -13.424 -2.775 -10.903 1.00 0.00 N ATOM 0 H LYS A 23 -11.361 -0.406 -6.176 1.00 0.00 H new ATOM 0 HA LYS A 23 -13.591 1.382 -6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.320 0.108 -8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.722 -1.400 -7.667 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.165 -0.002 -8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.183 0.036 -9.670 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.430 -2.358 -8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.596 -1.847 -9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.023 -2.952 -8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.314 -3.979 -9.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.728 -3.506 -11.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.234 -2.831 -11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.983 -1.836 -10.980 1.00 0.00 H new ATOM 361 N GLY A 24 -15.143 0.648 -5.067 1.00 0.00 N ATOM 362 CA GLY A 24 -16.371 0.294 -4.304 1.00 0.00 C ATOM 363 C GLY A 24 -16.850 1.563 -3.602 1.00 0.00 C ATOM 364 O GLY A 24 -17.970 2.084 -3.792 1.00 0.00 O ATOM 0 H GLY A 24 -14.908 1.641 -5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.142 -0.090 -4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.159 -0.491 -3.578 1.00 0.00 H new ATOM 368 N SER A 25 -15.896 2.065 -2.762 1.00 0.00 N ATOM 369 CA SER A 25 -15.935 3.226 -1.886 1.00 0.00 C ATOM 370 C SER A 25 -14.899 4.293 -2.315 1.00 0.00 C ATOM 371 O SER A 25 -13.751 3.966 -2.676 1.00 0.00 O ATOM 372 CB SER A 25 -15.815 2.614 -0.532 1.00 0.00 C ATOM 373 OG SER A 25 -16.835 1.715 -0.183 1.00 0.00 O ATOM 0 H SER A 25 -14.992 1.598 -2.692 1.00 0.00 H new ATOM 0 HA SER A 25 -16.841 3.831 -1.920 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.859 2.094 -0.471 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.790 3.414 0.208 1.00 0.00 H new ATOM 0 HG SER A 25 -16.669 1.366 0.718 1.00 0.00 H new ATOM 379 N GLN A 26 -15.425 5.600 -2.314 1.00 0.00 N ATOM 380 CA GLN A 26 -14.690 6.886 -2.496 1.00 0.00 C ATOM 381 C GLN A 26 -13.561 7.053 -1.425 1.00 0.00 C ATOM 382 O GLN A 26 -13.701 7.805 -0.480 1.00 0.00 O ATOM 383 CB GLN A 26 -15.737 8.074 -2.499 1.00 0.00 C ATOM 384 CG GLN A 26 -16.511 8.295 -3.824 1.00 0.00 C ATOM 385 CD GLN A 26 -17.615 7.298 -4.190 1.00 0.00 C ATOM 386 OE1 GLN A 26 -18.582 7.028 -3.530 1.00 0.00 O ATOM 387 NE2 GLN A 26 -17.321 6.602 -5.278 1.00 0.00 N ATOM 0 H GLN A 26 -16.423 5.759 -2.177 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.174 6.892 -3.456 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.461 7.896 -1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -15.211 8.996 -2.250 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -16.958 9.289 -3.787 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.785 8.302 -4.637 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.497 6.842 -5.830 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -17.919 5.827 -5.564 1.00 0.00 H new ATOM 396 N LYS A 27 -12.470 6.342 -1.689 1.00 0.00 N ATOM 397 CA LYS A 27 -11.223 6.299 -0.874 1.00 0.00 C ATOM 398 C LYS A 27 -10.024 5.869 -1.797 1.00 0.00 C ATOM 399 O LYS A 27 -10.190 5.023 -2.734 1.00 0.00 O ATOM 400 CB LYS A 27 -11.532 5.434 0.419 1.00 0.00 C ATOM 401 CG LYS A 27 -11.946 3.874 0.214 1.00 0.00 C ATOM 402 CD LYS A 27 -11.768 3.007 1.495 1.00 0.00 C ATOM 403 CE LYS A 27 -12.774 3.257 2.649 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.339 2.599 3.931 1.00 0.00 N ATOM 0 H LYS A 27 -12.410 5.745 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 27 -10.894 7.263 -0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.650 5.464 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.339 5.925 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.986 3.822 -0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.343 3.449 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.833 1.958 1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.761 3.170 1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.881 4.330 2.810 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.755 2.879 2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.029 1.869 4.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.406 2.161 3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.281 3.313 4.685 1.00 0.00 H new ATOM 417 N LEU A 28 -8.886 6.420 -1.494 1.00 0.00 N ATOM 418 CA LEU A 28 -7.567 5.870 -1.839 1.00 0.00 C ATOM 419 C LEU A 28 -7.246 4.562 -0.961 1.00 0.00 C ATOM 420 O LEU A 28 -7.742 4.304 0.181 1.00 0.00 O ATOM 421 CB LEU A 28 -6.526 6.984 -1.605 1.00 0.00 C ATOM 422 CG LEU A 28 -5.022 6.800 -2.099 1.00 0.00 C ATOM 423 CD1 LEU A 28 -4.869 6.914 -3.670 1.00 0.00 C ATOM 424 CD2 LEU A 28 -4.176 7.874 -1.469 1.00 0.00 C ATOM 0 H LEU A 28 -8.826 7.299 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.542 5.554 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.911 7.889 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.492 7.173 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.705 5.799 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.823 6.780 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.472 6.144 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.207 7.897 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.143 7.762 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.548 8.853 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.224 7.785 -0.384 1.00 0.00 H new ATOM 436 N ILE A 29 -6.399 3.660 -1.500 1.00 0.00 N ATOM 437 CA ILE A 29 -6.054 2.365 -0.916 1.00 0.00 C ATOM 438 C ILE A 29 -4.554 2.139 -1.427 1.00 0.00 C ATOM 439 O ILE A 29 -4.350 2.181 -2.657 1.00 0.00 O ATOM 440 CB ILE A 29 -7.082 1.171 -1.059 1.00 0.00 C ATOM 441 CG1 ILE A 29 -7.203 0.495 -2.478 1.00 0.00 C ATOM 442 CG2 ILE A 29 -8.576 1.458 -0.557 1.00 0.00 C ATOM 443 CD1 ILE A 29 -6.178 -0.607 -2.767 1.00 0.00 C ATOM 0 H ILE A 29 -5.924 3.829 -2.387 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.123 2.379 0.172 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.589 0.478 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.203 0.073 -2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.106 1.268 -3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.187 0.568 -0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.561 1.715 0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.998 2.287 -1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.346 -1.007 -3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.172 -0.193 -2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.286 -1.406 -2.033 1.00 0.00 H new ATOM 455 N VAL A 30 -3.616 1.880 -0.567 1.00 0.00 N ATOM 456 CA VAL A 30 -2.174 2.087 -0.693 1.00 0.00 C ATOM 457 C VAL A 30 -1.556 0.763 -0.123 1.00 0.00 C ATOM 458 O VAL A 30 -1.784 0.396 0.989 1.00 0.00 O ATOM 459 CB VAL A 30 -1.630 3.329 0.029 1.00 0.00 C ATOM 460 CG1 VAL A 30 -0.066 3.550 0.013 1.00 0.00 C ATOM 461 CG2 VAL A 30 -2.367 4.681 -0.272 1.00 0.00 C ATOM 0 H VAL A 30 -3.849 1.476 0.340 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.906 2.287 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.882 3.036 1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.178 4.462 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.426 2.701 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.278 3.640 -1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.896 5.486 0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.304 4.900 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.414 4.598 0.020 1.00 0.00 H new ATOM 471 N VAL A 31 -0.966 0.056 -1.065 1.00 0.00 N ATOM 472 CA VAL A 31 -0.710 -1.394 -1.037 1.00 0.00 C ATOM 473 C VAL A 31 0.820 -1.574 -1.410 1.00 0.00 C ATOM 474 O VAL A 31 1.269 -1.563 -2.569 1.00 0.00 O ATOM 475 CB VAL A 31 -1.754 -2.277 -1.775 1.00 0.00 C ATOM 476 CG1 VAL A 31 -2.437 -1.753 -3.089 1.00 0.00 C ATOM 477 CG2 VAL A 31 -1.238 -3.710 -2.104 1.00 0.00 C ATOM 0 H VAL A 31 -0.628 0.490 -1.924 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.873 -1.807 -0.042 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.522 -2.253 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.134 -2.504 -3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.977 -0.830 -2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.674 -1.561 -3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.020 -4.269 -2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.359 -3.642 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.974 -4.223 -1.179 1.00 0.00 H new ATOM 487 N ASP A 32 1.596 -1.812 -0.343 1.00 0.00 N ATOM 488 CA ASP A 32 3.023 -2.266 -0.263 1.00 0.00 C ATOM 489 C ASP A 32 3.179 -3.702 -0.817 1.00 0.00 C ATOM 490 O ASP A 32 2.422 -4.623 -0.547 1.00 0.00 O ATOM 491 CB ASP A 32 3.563 -2.076 1.137 1.00 0.00 C ATOM 492 CG ASP A 32 5.124 -1.892 1.189 1.00 0.00 C ATOM 493 OD1 ASP A 32 5.821 -2.119 2.238 1.00 0.00 O ATOM 494 OD2 ASP A 32 5.703 -1.454 0.043 1.00 0.00 O ATOM 0 H ASP A 32 1.214 -1.682 0.594 1.00 0.00 H new ATOM 0 HA ASP A 32 3.641 -1.640 -0.907 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.087 -1.204 1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.286 -2.938 1.744 1.00 0.00 H new ATOM 500 N PHE A 33 4.352 -3.983 -1.352 1.00 0.00 N ATOM 501 CA PHE A 33 4.782 -5.173 -2.044 1.00 0.00 C ATOM 502 C PHE A 33 6.285 -5.202 -1.617 1.00 0.00 C ATOM 503 O PHE A 33 7.215 -4.543 -2.205 1.00 0.00 O ATOM 504 CB PHE A 33 4.678 -4.877 -3.565 1.00 0.00 C ATOM 505 CG PHE A 33 3.218 -5.119 -4.150 1.00 0.00 C ATOM 506 CD1 PHE A 33 2.597 -6.414 -4.077 1.00 0.00 C ATOM 507 CD2 PHE A 33 2.419 -4.104 -4.679 1.00 0.00 C ATOM 508 CE1 PHE A 33 1.273 -6.671 -4.492 1.00 0.00 C ATOM 509 CE2 PHE A 33 1.022 -4.332 -4.989 1.00 0.00 C ATOM 510 CZ PHE A 33 0.538 -5.637 -4.957 1.00 0.00 C ATOM 0 H PHE A 33 5.109 -3.301 -1.304 1.00 0.00 H new ATOM 0 HA PHE A 33 4.233 -6.091 -1.836 1.00 0.00 H new ATOM 0 HB2 PHE A 33 4.970 -3.843 -3.749 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.387 -5.508 -4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.176 -7.236 -3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.850 -3.131 -4.861 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.859 -7.667 -4.439 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.371 -3.508 -5.239 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.462 -5.830 -5.317 1.00 0.00 H new ATOM 520 N THR A 34 6.503 -6.006 -0.552 1.00 0.00 N ATOM 521 CA THR A 34 7.840 -6.136 0.203 1.00 0.00 C ATOM 522 C THR A 34 7.873 -7.613 0.620 1.00 0.00 C ATOM 523 O THR A 34 6.930 -8.304 0.953 1.00 0.00 O ATOM 524 CB THR A 34 7.933 -5.140 1.352 1.00 0.00 C ATOM 525 OG1 THR A 34 9.226 -5.051 1.999 1.00 0.00 O ATOM 526 CG2 THR A 34 7.026 -5.330 2.518 1.00 0.00 C ATOM 0 H THR A 34 5.772 -6.601 -0.163 1.00 0.00 H new ATOM 0 HA THR A 34 8.716 -5.886 -0.395 1.00 0.00 H new ATOM 0 HB THR A 34 7.661 -4.259 0.770 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.259 -4.244 2.554 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.209 -4.546 3.253 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.989 -5.281 2.184 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.215 -6.303 2.971 1.00 0.00 H new ATOM 534 N ALA A 35 9.054 -8.089 0.797 1.00 0.00 N ATOM 535 CA ALA A 35 9.480 -9.365 1.393 1.00 0.00 C ATOM 536 C ALA A 35 9.687 -9.221 2.940 1.00 0.00 C ATOM 537 O ALA A 35 10.105 -8.145 3.394 1.00 0.00 O ATOM 538 CB ALA A 35 10.831 -9.710 0.674 1.00 0.00 C ATOM 0 H ALA A 35 9.865 -7.547 0.500 1.00 0.00 H new ATOM 0 HA ALA A 35 8.734 -10.149 1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.219 -10.652 1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.659 -9.802 -0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.555 -8.916 0.859 1.00 0.00 H new ATOM 544 N SER A 36 9.355 -10.315 3.584 1.00 0.00 N ATOM 545 CA SER A 36 9.730 -10.426 5.006 1.00 0.00 C ATOM 546 C SER A 36 11.223 -10.231 5.392 1.00 0.00 C ATOM 547 O SER A 36 11.437 -9.541 6.355 1.00 0.00 O ATOM 548 CB SER A 36 9.339 -11.894 5.473 1.00 0.00 C ATOM 549 OG SER A 36 9.446 -12.110 6.862 1.00 0.00 O ATOM 0 H SER A 36 8.854 -11.110 3.189 1.00 0.00 H new ATOM 0 HA SER A 36 9.205 -9.601 5.488 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.314 -12.100 5.163 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.978 -12.609 4.956 1.00 0.00 H new ATOM 0 HG SER A 36 9.188 -13.032 7.070 1.00 0.00 H new ATOM 555 N TRP A 37 12.230 -10.705 4.620 1.00 0.00 N ATOM 556 CA TRP A 37 13.666 -10.295 4.654 1.00 0.00 C ATOM 557 C TRP A 37 14.004 -8.820 4.199 1.00 0.00 C ATOM 558 O TRP A 37 14.536 -8.666 3.084 1.00 0.00 O ATOM 559 CB TRP A 37 14.410 -11.447 3.847 1.00 0.00 C ATOM 560 CG TRP A 37 13.862 -12.023 2.515 1.00 0.00 C ATOM 561 CD1 TRP A 37 12.935 -13.091 2.456 1.00 0.00 C ATOM 562 CD2 TRP A 37 14.271 -11.802 1.215 1.00 0.00 C ATOM 563 NE1 TRP A 37 12.641 -13.419 1.092 1.00 0.00 N ATOM 564 CE2 TRP A 37 13.526 -12.661 0.362 1.00 0.00 C ATOM 565 CE3 TRP A 37 15.293 -10.966 0.715 1.00 0.00 C ATOM 566 CZ2 TRP A 37 13.676 -12.504 -1.021 1.00 0.00 C ATOM 567 CZ3 TRP A 37 15.395 -10.817 -0.667 1.00 0.00 C ATOM 568 CH2 TRP A 37 14.662 -11.627 -1.512 1.00 0.00 C ATOM 0 H TRP A 37 12.059 -11.423 3.916 1.00 0.00 H new ATOM 0 HA TRP A 37 14.018 -10.213 5.682 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.415 -11.081 3.638 1.00 0.00 H new ATOM 0 HB3 TRP A 37 14.513 -12.289 4.531 1.00 0.00 H new ATOM 0 HD1 TRP A 37 12.510 -13.588 3.316 1.00 0.00 H new ATOM 0 HE1 TRP A 37 11.936 -14.067 0.742 1.00 0.00 H new ATOM 0 HE3 TRP A 37 15.974 -10.458 1.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 13.042 -13.050 -1.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 16.051 -10.064 -1.079 1.00 0.00 H new ATOM 0 HH2 TRP A 37 14.850 -11.587 -2.575 1.00 0.00 H new ATOM 579 N CYS A 38 13.787 -7.822 5.065 1.00 0.00 N ATOM 580 CA CYS A 38 14.019 -6.397 4.721 1.00 0.00 C ATOM 581 C CYS A 38 13.998 -5.524 5.983 1.00 0.00 C ATOM 582 O CYS A 38 12.897 -4.974 6.285 1.00 0.00 O ATOM 583 CB CYS A 38 12.915 -5.953 3.688 1.00 0.00 C ATOM 584 SG CYS A 38 13.256 -4.256 3.197 1.00 0.00 S ATOM 0 H CYS A 38 13.449 -7.968 6.016 1.00 0.00 H new ATOM 0 HA CYS A 38 15.004 -6.273 4.270 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.922 -6.609 2.818 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.924 -6.028 4.135 1.00 0.00 H new ATOM 0 HG CYS A 38 12.137 -3.644 2.944 1.00 0.00 H new ATOM 590 N PRO A 39 15.129 -5.312 6.648 1.00 0.00 N ATOM 591 CA PRO A 39 15.260 -4.189 7.617 1.00 0.00 C ATOM 592 C PRO A 39 14.790 -2.734 7.149 1.00 0.00 C ATOM 593 O PRO A 39 14.171 -2.026 7.936 1.00 0.00 O ATOM 594 CB PRO A 39 16.738 -4.261 8.099 1.00 0.00 C ATOM 595 CG PRO A 39 17.221 -5.650 7.580 1.00 0.00 C ATOM 596 CD PRO A 39 16.455 -5.880 6.259 1.00 0.00 C ATOM 0 HA PRO A 39 14.539 -4.328 8.422 1.00 0.00 H new ATOM 0 HB2 PRO A 39 17.335 -3.448 7.686 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.810 -4.190 9.184 1.00 0.00 H new ATOM 0 HG2 PRO A 39 18.299 -5.656 7.416 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.004 -6.437 8.302 1.00 0.00 H new ATOM 0 HD2 PRO A 39 16.905 -5.356 5.416 1.00 0.00 H new ATOM 0 HD3 PRO A 39 16.397 -6.933 5.985 1.00 0.00 H new ATOM 604 N PRO A 40 15.096 -2.229 5.887 1.00 0.00 N ATOM 605 CA PRO A 40 14.418 -1.062 5.302 1.00 0.00 C ATOM 606 C PRO A 40 12.932 -0.824 5.428 1.00 0.00 C ATOM 607 O PRO A 40 12.507 0.227 5.890 1.00 0.00 O ATOM 608 CB PRO A 40 14.938 -0.907 3.851 1.00 0.00 C ATOM 609 CG PRO A 40 16.229 -1.734 3.834 1.00 0.00 C ATOM 610 CD PRO A 40 16.056 -2.783 4.926 1.00 0.00 C ATOM 0 HA PRO A 40 14.699 -0.260 5.984 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.215 -1.279 3.125 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.129 0.137 3.604 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.382 -2.202 2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.099 -1.107 4.027 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.690 -3.721 4.509 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.008 -3.000 5.410 1.00 0.00 H new ATOM 618 N CYS A 41 12.166 -1.788 4.926 1.00 0.00 N ATOM 619 CA CYS A 41 10.750 -1.937 5.240 1.00 0.00 C ATOM 620 C CYS A 41 10.294 -2.430 6.673 1.00 0.00 C ATOM 621 O CYS A 41 9.153 -2.156 7.008 1.00 0.00 O ATOM 622 CB CYS A 41 10.001 -2.765 4.218 1.00 0.00 C ATOM 623 SG CYS A 41 10.687 -2.726 2.580 1.00 0.00 S ATOM 0 H CYS A 41 12.517 -2.497 4.281 1.00 0.00 H new ATOM 0 HA CYS A 41 10.487 -0.879 5.219 1.00 0.00 H new ATOM 0 HB2 CYS A 41 9.972 -3.800 4.560 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.970 -2.415 4.173 1.00 0.00 H new ATOM 0 HG CYS A 41 10.630 -3.915 2.057 1.00 0.00 H new ATOM 629 N LYS A 42 11.150 -2.979 7.485 1.00 0.00 N ATOM 630 CA LYS A 42 10.958 -2.958 8.941 1.00 0.00 C ATOM 631 C LYS A 42 10.810 -1.579 9.742 1.00 0.00 C ATOM 632 O LYS A 42 9.946 -1.538 10.575 1.00 0.00 O ATOM 633 CB LYS A 42 11.884 -3.925 9.666 1.00 0.00 C ATOM 634 CG LYS A 42 11.403 -4.347 11.083 1.00 0.00 C ATOM 635 CD LYS A 42 11.923 -5.650 11.526 1.00 0.00 C ATOM 636 CE LYS A 42 11.348 -6.335 12.762 1.00 0.00 C ATOM 637 NZ LYS A 42 9.901 -6.452 13.047 1.00 0.00 N ATOM 0 H LYS A 42 11.999 -3.454 7.180 1.00 0.00 H new ATOM 0 HA LYS A 42 9.922 -3.297 8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.002 -4.820 9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.869 -3.467 9.753 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.704 -3.584 11.800 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.314 -4.380 11.091 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.808 -6.342 10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.993 -5.529 11.694 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.740 -7.352 12.756 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.787 -5.829 13.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.764 -6.958 13.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.483 -5.502 13.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.437 -6.978 12.279 1.00 0.00 H new ATOM 650 N MET A 43 11.616 -0.570 9.394 1.00 0.00 N ATOM 651 CA MET A 43 11.332 0.908 9.697 1.00 0.00 C ATOM 652 C MET A 43 10.114 1.575 8.942 1.00 0.00 C ATOM 653 O MET A 43 9.345 2.321 9.555 1.00 0.00 O ATOM 654 CB MET A 43 12.625 1.717 9.754 1.00 0.00 C ATOM 655 CG MET A 43 13.295 1.956 8.430 1.00 0.00 C ATOM 656 SD MET A 43 14.710 3.067 8.664 1.00 0.00 S ATOM 657 CE MET A 43 15.549 2.851 7.112 1.00 0.00 C ATOM 0 H MET A 43 12.493 -0.715 8.893 1.00 0.00 H new ATOM 0 HA MET A 43 10.918 0.925 10.705 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.410 2.682 10.213 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.327 1.202 10.410 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.628 1.010 8.002 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.588 2.393 7.725 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.446 3.470 7.094 1.00 0.00 H new ATOM 0 HE2 MET A 43 15.828 1.804 6.992 1.00 0.00 H new ATOM 0 HE3 MET A 43 14.888 3.147 6.297 1.00 0.00 H new ATOM 667 N ILE A 44 9.967 1.246 7.639 1.00 0.00 N ATOM 668 CA ILE A 44 8.717 1.649 6.924 1.00 0.00 C ATOM 669 C ILE A 44 7.341 1.160 7.533 1.00 0.00 C ATOM 670 O ILE A 44 6.394 1.927 7.455 1.00 0.00 O ATOM 671 CB ILE A 44 8.914 1.598 5.372 1.00 0.00 C ATOM 672 CG1 ILE A 44 8.639 2.956 4.679 1.00 0.00 C ATOM 673 CG2 ILE A 44 8.171 0.456 4.673 1.00 0.00 C ATOM 674 CD1 ILE A 44 9.539 4.127 5.136 1.00 0.00 C ATOM 0 H ILE A 44 10.649 0.733 7.080 1.00 0.00 H new ATOM 0 HA ILE A 44 8.558 2.704 7.146 1.00 0.00 H new ATOM 0 HB ILE A 44 9.975 1.378 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.758 2.827 3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.599 3.230 4.854 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.365 0.498 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.518 -0.499 5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.100 0.555 4.852 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.265 5.030 4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.405 4.293 6.205 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.582 3.884 4.935 1.00 0.00 H new ATOM 686 N ALA A 45 7.224 -0.127 7.961 1.00 0.00 N ATOM 687 CA ALA A 45 6.013 -0.591 8.754 1.00 0.00 C ATOM 688 C ALA A 45 5.462 0.404 9.880 1.00 0.00 C ATOM 689 O ALA A 45 4.397 1.021 9.726 1.00 0.00 O ATOM 690 CB ALA A 45 6.066 -2.084 9.164 1.00 0.00 C ATOM 0 H ALA A 45 7.919 -0.853 7.786 1.00 0.00 H new ATOM 0 HA ALA A 45 5.211 -0.530 8.018 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.168 -2.339 9.726 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.123 -2.705 8.270 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.945 -2.260 9.785 1.00 0.00 H new ATOM 696 N PRO A 46 6.216 0.798 10.914 1.00 0.00 N ATOM 697 CA PRO A 46 5.957 1.974 11.781 1.00 0.00 C ATOM 698 C PRO A 46 5.594 3.333 11.133 1.00 0.00 C ATOM 699 O PRO A 46 4.546 3.881 11.516 1.00 0.00 O ATOM 700 CB PRO A 46 7.200 2.048 12.611 1.00 0.00 C ATOM 701 CG PRO A 46 7.861 0.679 12.604 1.00 0.00 C ATOM 702 CD PRO A 46 7.483 0.075 11.291 1.00 0.00 C ATOM 0 HA PRO A 46 5.025 1.812 12.323 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.880 2.800 12.210 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.958 2.348 13.631 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.943 0.763 12.703 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.511 0.067 13.435 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.264 0.220 10.544 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.320 -0.999 11.377 1.00 0.00 H new ATOM 710 N ILE A 47 6.377 3.783 10.060 1.00 0.00 N ATOM 711 CA ILE A 47 6.104 4.962 9.201 1.00 0.00 C ATOM 712 C ILE A 47 4.715 4.985 8.525 1.00 0.00 C ATOM 713 O ILE A 47 3.986 6.004 8.526 1.00 0.00 O ATOM 714 CB ILE A 47 7.283 5.417 8.196 1.00 0.00 C ATOM 715 CG1 ILE A 47 8.594 5.660 9.023 1.00 0.00 C ATOM 716 CG2 ILE A 47 6.915 6.656 7.373 1.00 0.00 C ATOM 717 CD1 ILE A 47 8.498 6.721 10.230 1.00 0.00 C ATOM 0 H ILE A 47 7.233 3.300 9.787 1.00 0.00 H new ATOM 0 HA ILE A 47 6.080 5.746 9.958 1.00 0.00 H new ATOM 0 HB ILE A 47 7.442 4.615 7.475 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.919 4.704 9.434 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.373 5.994 8.337 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.745 6.916 6.716 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.029 6.445 6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.709 7.490 8.044 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.467 6.800 10.723 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.211 7.696 9.836 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.751 6.387 10.950 1.00 0.00 H new ATOM 729 N PHE A 48 4.269 3.837 8.002 1.00 0.00 N ATOM 730 CA PHE A 48 2.890 3.491 7.430 1.00 0.00 C ATOM 731 C PHE A 48 1.776 3.476 8.484 1.00 0.00 C ATOM 732 O PHE A 48 0.682 3.944 8.104 1.00 0.00 O ATOM 733 CB PHE A 48 3.018 2.113 6.690 1.00 0.00 C ATOM 734 CG PHE A 48 2.218 1.869 5.421 1.00 0.00 C ATOM 735 CD1 PHE A 48 1.988 2.805 4.455 1.00 0.00 C ATOM 736 CD2 PHE A 48 1.949 0.511 5.151 1.00 0.00 C ATOM 737 CE1 PHE A 48 1.389 2.475 3.238 1.00 0.00 C ATOM 738 CE2 PHE A 48 1.184 0.181 4.009 1.00 0.00 C ATOM 739 CZ PHE A 48 0.948 1.103 3.025 1.00 0.00 C ATOM 0 H PHE A 48 4.892 3.031 7.946 1.00 0.00 H new ATOM 0 HA PHE A 48 2.589 4.274 6.734 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.071 1.970 6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.747 1.333 7.402 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.277 3.829 4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.321 -0.263 5.805 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.255 3.222 2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.779 -0.815 3.911 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.446 0.820 2.112 1.00 0.00 H new ATOM 749 N ALA A 49 2.070 3.014 9.708 1.00 0.00 N ATOM 750 CA ALA A 49 1.248 3.197 10.900 1.00 0.00 C ATOM 751 C ALA A 49 0.946 4.632 11.476 1.00 0.00 C ATOM 752 O ALA A 49 -0.230 5.089 11.570 1.00 0.00 O ATOM 753 CB ALA A 49 1.563 2.050 11.944 1.00 0.00 C ATOM 0 H ALA A 49 2.921 2.483 9.896 1.00 0.00 H new ATOM 0 HA ALA A 49 0.229 3.089 10.528 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.948 2.189 12.833 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.342 1.081 11.497 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.616 2.090 12.221 1.00 0.00 H new ATOM 759 N GLU A 50 2.025 5.427 11.711 1.00 0.00 N ATOM 760 CA GLU A 50 1.921 6.895 11.894 1.00 0.00 C ATOM 761 C GLU A 50 1.144 7.676 10.842 1.00 0.00 C ATOM 762 O GLU A 50 0.138 8.319 11.235 1.00 0.00 O ATOM 763 CB GLU A 50 3.319 7.472 12.190 1.00 0.00 C ATOM 764 CG GLU A 50 3.457 8.843 12.892 1.00 0.00 C ATOM 765 CD GLU A 50 3.217 10.082 12.064 1.00 0.00 C ATOM 766 OE1 GLU A 50 4.026 10.635 11.322 1.00 0.00 O ATOM 767 OE2 GLU A 50 1.984 10.624 12.326 1.00 0.00 O ATOM 0 H GLU A 50 2.978 5.071 11.778 1.00 0.00 H new ATOM 0 HA GLU A 50 1.272 7.038 12.758 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.849 6.741 12.800 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.850 7.539 11.240 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.763 8.861 13.732 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.462 8.907 13.308 1.00 0.00 H new ATOM 775 N LEU A 51 1.507 7.612 9.525 1.00 0.00 N ATOM 776 CA LEU A 51 0.675 8.050 8.421 1.00 0.00 C ATOM 777 C LEU A 51 -0.839 7.551 8.384 1.00 0.00 C ATOM 778 O LEU A 51 -1.712 8.408 8.121 1.00 0.00 O ATOM 779 CB LEU A 51 1.622 7.816 7.200 1.00 0.00 C ATOM 780 CG LEU A 51 1.214 8.376 5.802 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.460 7.296 5.020 1.00 0.00 C ATOM 782 CD2 LEU A 51 0.490 9.775 5.761 1.00 0.00 C ATOM 0 H LEU A 51 2.409 7.243 9.223 1.00 0.00 H new ATOM 0 HA LEU A 51 0.361 9.092 8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.594 8.240 7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.762 6.740 7.094 1.00 0.00 H new ATOM 0 HG LEU A 51 2.157 8.617 5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.175 7.686 4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.103 6.426 4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.435 7.006 5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.266 10.039 4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.437 9.722 6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.140 10.534 6.196 1.00 0.00 H new ATOM 794 N ALA A 52 -1.194 6.250 8.618 1.00 0.00 N ATOM 795 CA ALA A 52 -2.596 5.771 8.838 1.00 0.00 C ATOM 796 C ALA A 52 -3.474 6.545 9.920 1.00 0.00 C ATOM 797 O ALA A 52 -4.685 6.730 9.706 1.00 0.00 O ATOM 798 CB ALA A 52 -2.467 4.294 9.113 1.00 0.00 C ATOM 0 H ALA A 52 -0.507 5.497 8.659 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.184 5.988 7.946 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.456 3.868 9.285 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.005 3.803 8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.847 4.141 9.997 1.00 0.00 H new ATOM 804 N LYS A 53 -2.857 6.888 11.061 1.00 0.00 N ATOM 805 CA LYS A 53 -3.342 7.783 12.161 1.00 0.00 C ATOM 806 C LYS A 53 -3.578 9.301 11.793 1.00 0.00 C ATOM 807 O LYS A 53 -4.482 10.015 12.292 1.00 0.00 O ATOM 808 CB LYS A 53 -2.521 7.646 13.438 1.00 0.00 C ATOM 809 CG LYS A 53 -2.902 6.341 14.187 1.00 0.00 C ATOM 810 CD LYS A 53 -2.030 6.037 15.419 1.00 0.00 C ATOM 811 CE LYS A 53 -0.742 5.351 14.968 1.00 0.00 C ATOM 812 NZ LYS A 53 0.262 5.174 16.078 1.00 0.00 N ATOM 0 H LYS A 53 -1.927 6.524 11.270 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.345 7.398 12.343 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.458 7.637 13.196 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.694 8.507 14.083 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.943 6.408 14.502 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.832 5.504 13.492 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.797 6.960 15.951 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.573 5.396 16.114 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.986 4.374 14.550 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.289 5.936 14.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.111 4.703 15.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.522 6.105 16.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.154 4.592 16.833 1.00 0.00 H new ATOM 825 N LYS A 54 -2.710 9.849 10.975 1.00 0.00 N ATOM 826 CA LYS A 54 -2.857 11.135 10.295 1.00 0.00 C ATOM 827 C LYS A 54 -4.069 11.355 9.277 1.00 0.00 C ATOM 828 O LYS A 54 -4.662 12.428 9.067 1.00 0.00 O ATOM 829 CB LYS A 54 -1.513 11.398 9.591 1.00 0.00 C ATOM 830 CG LYS A 54 -1.254 12.894 9.361 1.00 0.00 C ATOM 831 CD LYS A 54 -0.015 13.141 8.530 1.00 0.00 C ATOM 832 CE LYS A 54 1.335 12.821 9.202 1.00 0.00 C ATOM 833 NZ LYS A 54 2.439 13.090 8.273 1.00 0.00 N ATOM 0 H LYS A 54 -1.828 9.390 10.747 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.124 11.845 11.077 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.704 10.980 10.191 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.500 10.879 8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.117 13.338 8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.149 13.394 10.324 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.092 12.549 7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.008 14.189 8.230 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.453 13.423 10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.357 11.776 9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.344 12.871 8.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.332 12.497 7.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.425 14.093 7.998 1.00 0.00 H new ATOM 846 N PHE A 55 -4.302 10.296 8.583 1.00 0.00 N ATOM 847 CA PHE A 55 -4.958 10.247 7.279 1.00 0.00 C ATOM 848 C PHE A 55 -6.206 9.170 7.132 1.00 0.00 C ATOM 849 O PHE A 55 -6.000 8.108 6.564 1.00 0.00 O ATOM 850 CB PHE A 55 -3.843 10.138 6.169 1.00 0.00 C ATOM 851 CG PHE A 55 -3.502 11.431 5.370 1.00 0.00 C ATOM 852 CD1 PHE A 55 -4.339 11.894 4.347 1.00 0.00 C ATOM 853 CD2 PHE A 55 -2.488 12.270 5.848 1.00 0.00 C ATOM 854 CE1 PHE A 55 -4.256 13.211 3.858 1.00 0.00 C ATOM 855 CE2 PHE A 55 -2.346 13.517 5.343 1.00 0.00 C ATOM 856 CZ PHE A 55 -3.191 13.983 4.291 1.00 0.00 C ATOM 0 H PHE A 55 -4.030 9.370 8.913 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.505 11.180 7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.928 9.784 6.644 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.150 9.372 5.457 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.069 11.221 3.921 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.819 11.921 6.621 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.993 13.604 3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.583 14.169 5.741 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.999 14.941 3.831 1.00 0.00 H new ATOM 866 N PRO A 56 -7.421 9.493 7.647 1.00 0.00 N ATOM 867 CA PRO A 56 -8.696 8.685 7.618 1.00 0.00 C ATOM 868 C PRO A 56 -9.562 8.144 6.309 1.00 0.00 C ATOM 869 O PRO A 56 -10.211 7.109 6.363 1.00 0.00 O ATOM 870 CB PRO A 56 -9.725 9.537 8.448 1.00 0.00 C ATOM 871 CG PRO A 56 -9.302 10.943 8.189 1.00 0.00 C ATOM 872 CD PRO A 56 -7.825 10.907 7.869 1.00 0.00 C ATOM 0 HA PRO A 56 -8.274 7.728 7.926 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.749 9.359 8.121 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.683 9.294 9.510 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.866 11.369 7.359 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.493 11.570 9.060 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.616 11.504 6.981 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.250 11.341 8.687 1.00 0.00 H new ATOM 880 N ASN A 57 -9.359 8.781 5.112 1.00 0.00 N ATOM 881 CA ASN A 57 -9.907 8.484 3.777 1.00 0.00 C ATOM 882 C ASN A 57 -9.245 7.395 2.950 1.00 0.00 C ATOM 883 O ASN A 57 -9.225 7.391 1.763 1.00 0.00 O ATOM 884 CB ASN A 57 -10.002 9.949 3.118 1.00 0.00 C ATOM 885 CG ASN A 57 -8.699 10.636 2.861 1.00 0.00 C ATOM 886 OD1 ASN A 57 -8.181 10.395 1.746 1.00 0.00 O ATOM 887 ND2 ASN A 57 -8.070 11.434 3.753 1.00 0.00 N ATOM 0 H ASN A 57 -8.744 9.594 5.071 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.869 7.976 3.838 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.540 9.867 2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.601 10.582 3.772 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.166 11.845 3.521 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.499 11.625 4.658 1.00 0.00 H new ATOM 894 N VAL A 58 -8.420 6.561 3.654 1.00 0.00 N ATOM 895 CA VAL A 58 -7.376 5.715 2.981 1.00 0.00 C ATOM 896 C VAL A 58 -7.119 4.421 3.834 1.00 0.00 C ATOM 897 O VAL A 58 -6.677 4.466 4.984 1.00 0.00 O ATOM 898 CB VAL A 58 -6.305 6.695 2.460 1.00 0.00 C ATOM 899 CG1 VAL A 58 -5.682 7.709 3.494 1.00 0.00 C ATOM 900 CG2 VAL A 58 -5.127 5.936 1.833 1.00 0.00 C ATOM 0 H VAL A 58 -8.454 6.455 4.668 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.607 5.185 2.057 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.876 7.289 1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.945 8.335 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.471 8.338 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.199 7.156 4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.385 6.649 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.673 5.286 2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.485 5.333 0.999 1.00 0.00 H new ATOM 910 N THR A 59 -7.398 3.273 3.232 1.00 0.00 N ATOM 911 CA THR A 59 -7.110 1.921 3.749 1.00 0.00 C ATOM 912 C THR A 59 -5.638 1.613 3.317 1.00 0.00 C ATOM 913 O THR A 59 -5.004 2.236 2.473 1.00 0.00 O ATOM 914 CB THR A 59 -8.107 0.826 3.189 1.00 0.00 C ATOM 915 OG1 THR A 59 -9.422 1.249 3.324 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.762 -0.666 3.636 1.00 0.00 C ATOM 0 H THR A 59 -7.856 3.247 2.321 1.00 0.00 H new ATOM 0 HA THR A 59 -7.238 1.891 4.831 1.00 0.00 H new ATOM 0 HB THR A 59 -7.958 0.736 2.113 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.025 0.561 2.971 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.494 -1.352 3.209 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.766 -0.931 3.281 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.790 -0.736 4.723 1.00 0.00 H new ATOM 924 N PHE A 60 -5.016 0.650 4.052 1.00 0.00 N ATOM 925 CA PHE A 60 -3.527 0.442 4.046 1.00 0.00 C ATOM 926 C PHE A 60 -3.247 -1.037 4.321 1.00 0.00 C ATOM 927 O PHE A 60 -3.734 -1.684 5.252 1.00 0.00 O ATOM 928 CB PHE A 60 -2.732 1.348 4.971 1.00 0.00 C ATOM 929 CG PHE A 60 -2.736 2.841 4.885 1.00 0.00 C ATOM 930 CD1 PHE A 60 -1.840 3.418 3.954 1.00 0.00 C ATOM 931 CD2 PHE A 60 -3.680 3.666 5.540 1.00 0.00 C ATOM 932 CE1 PHE A 60 -1.821 4.813 3.825 1.00 0.00 C ATOM 933 CE2 PHE A 60 -3.593 5.005 5.402 1.00 0.00 C ATOM 934 CZ PHE A 60 -2.664 5.590 4.621 1.00 0.00 C ATOM 0 H PHE A 60 -5.517 0.001 4.659 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.172 0.731 3.057 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.047 1.101 5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.691 1.040 4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.187 2.798 3.358 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -4.462 3.229 6.144 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.158 5.284 3.114 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.293 5.630 5.936 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.571 6.666 4.611 1.00 0.00 H new ATOM 944 N LEU A 61 -2.513 -1.584 3.401 1.00 0.00 N ATOM 945 CA LEU A 61 -2.266 -3.062 3.311 1.00 0.00 C ATOM 946 C LEU A 61 -0.836 -3.281 2.770 1.00 0.00 C ATOM 947 O LEU A 61 -0.185 -2.474 2.112 1.00 0.00 O ATOM 948 CB LEU A 61 -3.396 -3.963 2.754 1.00 0.00 C ATOM 949 CG LEU A 61 -3.572 -4.043 1.169 1.00 0.00 C ATOM 950 CD1 LEU A 61 -2.770 -5.200 0.602 1.00 0.00 C ATOM 951 CD2 LEU A 61 -5.012 -4.250 0.763 1.00 0.00 C ATOM 0 H LEU A 61 -2.048 -1.048 2.669 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.315 -3.468 4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.231 -4.975 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.339 -3.619 3.179 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.219 -3.090 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.902 -5.239 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.714 -5.059 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.117 -6.134 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.080 -4.298 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.380 -5.182 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.616 -3.419 1.128 1.00 0.00 H new ATOM 963 N LYS A 62 -0.339 -4.452 3.110 1.00 0.00 N ATOM 964 CA LYS A 62 1.095 -4.891 2.961 1.00 0.00 C ATOM 965 C LYS A 62 1.124 -6.391 2.650 1.00 0.00 C ATOM 966 O LYS A 62 0.969 -7.285 3.494 1.00 0.00 O ATOM 967 CB LYS A 62 2.019 -4.439 4.147 1.00 0.00 C ATOM 968 CG LYS A 62 1.669 -4.957 5.548 1.00 0.00 C ATOM 969 CD LYS A 62 2.538 -4.395 6.673 1.00 0.00 C ATOM 970 CE LYS A 62 2.022 -4.964 8.034 1.00 0.00 C ATOM 971 NZ LYS A 62 2.711 -4.451 9.224 1.00 0.00 N ATOM 0 H LYS A 62 -0.924 -5.181 3.520 1.00 0.00 H new ATOM 0 HA LYS A 62 1.542 -4.371 2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.038 -4.749 3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.017 -3.349 4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.627 -4.718 5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.754 -6.044 5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.581 -4.671 6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.494 -3.306 6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.959 -4.740 8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.119 -6.050 8.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.301 -4.884 10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.722 -4.687 9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.598 -3.418 9.272 1.00 0.00 H new ATOM 984 N VAL A 63 1.499 -6.606 1.356 1.00 0.00 N ATOM 985 CA VAL A 63 1.713 -7.952 0.637 1.00 0.00 C ATOM 986 C VAL A 63 3.153 -8.436 0.980 1.00 0.00 C ATOM 987 O VAL A 63 4.184 -7.916 0.453 1.00 0.00 O ATOM 988 CB VAL A 63 1.466 -7.855 -0.949 1.00 0.00 C ATOM 989 CG1 VAL A 63 1.662 -9.140 -1.754 1.00 0.00 C ATOM 990 CG2 VAL A 63 0.001 -7.437 -1.117 1.00 0.00 C ATOM 0 H VAL A 63 1.676 -5.820 0.730 1.00 0.00 H new ATOM 0 HA VAL A 63 0.977 -8.677 0.985 1.00 0.00 H new ATOM 0 HB VAL A 63 2.211 -7.160 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.466 -8.943 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.687 -9.491 -1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.973 -9.904 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.234 -7.352 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.646 -8.186 -0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.161 -6.474 -0.632 1.00 0.00 H new ATOM 1000 N ASP A 64 3.119 -9.646 1.603 1.00 0.00 N ATOM 1001 CA ASP A 64 4.310 -10.549 1.649 1.00 0.00 C ATOM 1002 C ASP A 64 4.577 -11.153 0.207 1.00 0.00 C ATOM 1003 O ASP A 64 3.836 -11.995 -0.307 1.00 0.00 O ATOM 1004 CB ASP A 64 4.189 -11.616 2.699 1.00 0.00 C ATOM 1005 CG ASP A 64 5.364 -12.545 2.856 1.00 0.00 C ATOM 1006 OD1 ASP A 64 6.504 -12.132 2.850 1.00 0.00 O ATOM 1007 OD2 ASP A 64 5.028 -13.760 3.372 1.00 0.00 O ATOM 0 H ASP A 64 2.294 -10.017 2.075 1.00 0.00 H new ATOM 0 HA ASP A 64 5.175 -9.954 1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.008 -11.131 3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.308 -12.217 2.474 1.00 0.00 H new ATOM 1013 N VAL A 65 5.618 -10.667 -0.436 1.00 0.00 N ATOM 1014 CA VAL A 65 6.064 -11.068 -1.798 1.00 0.00 C ATOM 1015 C VAL A 65 6.346 -12.537 -2.095 1.00 0.00 C ATOM 1016 O VAL A 65 5.963 -13.001 -3.175 1.00 0.00 O ATOM 1017 CB VAL A 65 7.049 -9.998 -2.386 1.00 0.00 C ATOM 1018 CG1 VAL A 65 8.519 -10.376 -2.215 1.00 0.00 C ATOM 1019 CG2 VAL A 65 6.883 -9.772 -3.901 1.00 0.00 C ATOM 0 H VAL A 65 6.217 -9.950 -0.026 1.00 0.00 H new ATOM 0 HA VAL A 65 5.160 -11.047 -2.407 1.00 0.00 H new ATOM 0 HB VAL A 65 6.790 -9.104 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.148 -9.595 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.746 -10.484 -1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.714 -11.319 -2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.596 -9.020 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.065 -10.707 -4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.869 -9.429 -4.109 1.00 0.00 H new ATOM 1029 N ASP A 66 6.929 -13.356 -1.190 1.00 0.00 N ATOM 1030 CA ASP A 66 7.166 -14.798 -1.313 1.00 0.00 C ATOM 1031 C ASP A 66 5.877 -15.592 -1.606 1.00 0.00 C ATOM 1032 O ASP A 66 5.911 -16.493 -2.466 1.00 0.00 O ATOM 1033 CB ASP A 66 7.846 -15.400 -0.024 1.00 0.00 C ATOM 1034 CG ASP A 66 9.316 -14.952 0.365 1.00 0.00 C ATOM 1035 OD1 ASP A 66 10.239 -15.698 0.431 1.00 0.00 O ATOM 1036 OD2 ASP A 66 9.357 -13.563 0.550 1.00 0.00 O ATOM 0 H ASP A 66 7.266 -12.995 -0.298 1.00 0.00 H new ATOM 0 HA ASP A 66 7.842 -14.901 -2.162 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.200 -15.171 0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.854 -16.484 -0.135 1.00 0.00 H new ATOM 1042 N GLU A 67 4.754 -15.197 -0.939 1.00 0.00 N ATOM 1043 CA GLU A 67 3.346 -15.565 -1.226 1.00 0.00 C ATOM 1044 C GLU A 67 2.663 -15.173 -2.568 1.00 0.00 C ATOM 1045 O GLU A 67 1.713 -15.850 -2.989 1.00 0.00 O ATOM 1046 CB GLU A 67 2.407 -15.140 -0.043 1.00 0.00 C ATOM 1047 CG GLU A 67 2.523 -15.878 1.279 1.00 0.00 C ATOM 1048 CD GLU A 67 1.981 -17.324 1.426 1.00 0.00 C ATOM 1049 OE1 GLU A 67 2.476 -18.287 0.797 1.00 0.00 O ATOM 1050 OE2 GLU A 67 0.850 -17.374 2.154 1.00 0.00 O ATOM 0 H GLU A 67 4.819 -14.572 -0.135 1.00 0.00 H new ATOM 0 HA GLU A 67 3.469 -16.641 -1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.580 -14.082 0.153 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.377 -15.237 -0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.581 -15.903 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.022 -15.269 2.032 1.00 0.00 H new ATOM 1058 N LEU A 68 2.974 -13.958 -3.088 1.00 0.00 N ATOM 1059 CA LEU A 68 2.211 -13.213 -4.118 1.00 0.00 C ATOM 1060 C LEU A 68 3.062 -12.284 -5.106 1.00 0.00 C ATOM 1061 O LEU A 68 2.722 -11.167 -5.545 1.00 0.00 O ATOM 1062 CB LEU A 68 1.185 -12.267 -3.454 1.00 0.00 C ATOM 1063 CG LEU A 68 -0.062 -12.832 -2.759 1.00 0.00 C ATOM 1064 CD1 LEU A 68 -1.006 -11.714 -2.266 1.00 0.00 C ATOM 1065 CD2 LEU A 68 -0.924 -13.789 -3.596 1.00 0.00 C ATOM 0 H LEU A 68 3.804 -13.448 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 68 1.767 -14.015 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.725 -11.675 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.839 -11.577 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 68 0.374 -13.400 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.875 -12.159 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.478 -11.080 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.333 -11.113 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.775 -14.124 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.282 -13.272 -4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.327 -14.651 -3.893 1.00 0.00 H new ATOM 1077 N LYS A 69 4.146 -12.911 -5.505 1.00 0.00 N ATOM 1078 CA LYS A 69 5.080 -12.436 -6.562 1.00 0.00 C ATOM 1079 C LYS A 69 4.531 -12.301 -8.015 1.00 0.00 C ATOM 1080 O LYS A 69 4.695 -11.219 -8.641 1.00 0.00 O ATOM 1081 CB LYS A 69 6.360 -13.279 -6.580 1.00 0.00 C ATOM 1082 CG LYS A 69 6.337 -14.818 -6.719 1.00 0.00 C ATOM 1083 CD LYS A 69 7.558 -15.511 -6.167 1.00 0.00 C ATOM 1084 CE LYS A 69 7.563 -16.986 -6.475 1.00 0.00 C ATOM 1085 NZ LYS A 69 6.427 -17.761 -5.873 1.00 0.00 N ATOM 0 H LYS A 69 4.433 -13.803 -5.101 1.00 0.00 H new ATOM 0 HA LYS A 69 5.270 -11.408 -6.255 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.971 -12.901 -7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.893 -13.057 -5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.454 -15.204 -6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.234 -15.074 -7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.454 -15.051 -6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.599 -15.367 -5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.540 -17.117 -7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.502 -17.413 -6.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.512 -18.763 -6.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.457 -17.672 -4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.524 -17.385 -6.227 1.00 0.00 H new ATOM 1098 N ALA A 70 3.811 -13.314 -8.505 1.00 0.00 N ATOM 1099 CA ALA A 70 3.118 -13.317 -9.822 1.00 0.00 C ATOM 1100 C ALA A 70 2.218 -12.027 -10.112 1.00 0.00 C ATOM 1101 O ALA A 70 2.550 -11.229 -11.039 1.00 0.00 O ATOM 1102 CB ALA A 70 2.405 -14.666 -9.863 1.00 0.00 C ATOM 0 H ALA A 70 3.683 -14.186 -7.991 1.00 0.00 H new ATOM 0 HA ALA A 70 3.813 -13.224 -10.656 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.862 -14.762 -10.803 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.139 -15.468 -9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.704 -14.733 -9.031 1.00 0.00 H new ATOM 1108 N VAL A 71 1.196 -11.803 -9.297 1.00 0.00 N ATOM 1109 CA VAL A 71 0.444 -10.543 -9.230 1.00 0.00 C ATOM 1110 C VAL A 71 1.236 -9.164 -9.072 1.00 0.00 C ATOM 1111 O VAL A 71 1.005 -8.162 -9.796 1.00 0.00 O ATOM 1112 CB VAL A 71 -0.795 -10.727 -8.324 1.00 0.00 C ATOM 1113 CG1 VAL A 71 -0.403 -10.746 -6.843 1.00 0.00 C ATOM 1114 CG2 VAL A 71 -1.810 -9.606 -8.574 1.00 0.00 C ATOM 0 H VAL A 71 0.853 -12.507 -8.644 1.00 0.00 H new ATOM 0 HA VAL A 71 0.114 -10.361 -10.253 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.248 -11.687 -8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.296 -10.877 -6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.286 -11.570 -6.660 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.080 -9.804 -6.582 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.677 -9.749 -7.929 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.350 -8.643 -8.354 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.126 -9.628 -9.617 1.00 0.00 H new ATOM 1124 N ALA A 72 2.072 -9.132 -8.000 1.00 0.00 N ATOM 1125 CA ALA A 72 2.896 -7.931 -7.624 1.00 0.00 C ATOM 1126 C ALA A 72 3.733 -7.347 -8.812 1.00 0.00 C ATOM 1127 O ALA A 72 3.479 -6.227 -9.276 1.00 0.00 O ATOM 1128 CB ALA A 72 3.848 -8.214 -6.374 1.00 0.00 C ATOM 0 H ALA A 72 2.200 -9.925 -7.372 1.00 0.00 H new ATOM 0 HA ALA A 72 2.164 -7.174 -7.341 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.421 -7.316 -6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.243 -8.490 -5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.531 -9.029 -6.614 1.00 0.00 H new ATOM 1134 N GLU A 73 4.543 -8.258 -9.354 1.00 0.00 N ATOM 1135 CA GLU A 73 5.346 -8.048 -10.598 1.00 0.00 C ATOM 1136 C GLU A 73 4.448 -7.609 -11.775 1.00 0.00 C ATOM 1137 O GLU A 73 4.727 -6.539 -12.269 1.00 0.00 O ATOM 1138 CB GLU A 73 6.155 -9.302 -10.971 1.00 0.00 C ATOM 1139 CG GLU A 73 7.252 -9.719 -9.988 1.00 0.00 C ATOM 1140 CD GLU A 73 7.891 -11.080 -10.443 1.00 0.00 C ATOM 1141 OE1 GLU A 73 7.387 -12.176 -10.276 1.00 0.00 O ATOM 1142 OE2 GLU A 73 9.126 -10.901 -11.078 1.00 0.00 O ATOM 0 H GLU A 73 4.674 -9.184 -8.947 1.00 0.00 H new ATOM 0 HA GLU A 73 6.054 -7.246 -10.391 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.462 -10.135 -11.083 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.614 -9.136 -11.945 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.019 -8.946 -9.937 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.835 -9.820 -8.986 1.00 0.00 H new ATOM 1150 N GLU A 74 3.232 -8.262 -11.966 1.00 0.00 N ATOM 1151 CA GLU A 74 2.114 -7.795 -12.920 1.00 0.00 C ATOM 1152 C GLU A 74 1.731 -6.269 -13.018 1.00 0.00 C ATOM 1153 O GLU A 74 1.822 -5.737 -14.156 1.00 0.00 O ATOM 1154 CB GLU A 74 0.927 -8.758 -13.068 1.00 0.00 C ATOM 1155 CG GLU A 74 -0.539 -8.474 -12.551 1.00 0.00 C ATOM 1156 CD GLU A 74 -1.608 -9.414 -13.020 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -1.915 -10.483 -12.448 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -2.321 -8.895 -14.066 1.00 0.00 O ATOM 0 H GLU A 74 2.994 -9.121 -11.470 1.00 0.00 H new ATOM 0 HA GLU A 74 2.695 -7.871 -13.839 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.835 -8.958 -14.136 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.236 -9.690 -12.595 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.525 -8.490 -11.461 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.817 -7.464 -12.852 1.00 0.00 H new ATOM 1166 N TRP A 75 1.316 -5.665 -11.881 1.00 0.00 N ATOM 1167 CA TRP A 75 1.167 -4.217 -11.645 1.00 0.00 C ATOM 1168 C TRP A 75 2.450 -3.345 -11.967 1.00 0.00 C ATOM 1169 O TRP A 75 2.303 -2.335 -12.651 1.00 0.00 O ATOM 1170 CB TRP A 75 0.482 -3.798 -10.307 1.00 0.00 C ATOM 1171 CG TRP A 75 -0.730 -4.682 -9.747 1.00 0.00 C ATOM 1172 CD1 TRP A 75 -0.828 -5.323 -8.468 1.00 0.00 C ATOM 1173 CD2 TRP A 75 -1.899 -5.242 -10.409 1.00 0.00 C ATOM 1174 NE1 TRP A 75 -1.882 -6.100 -8.299 1.00 0.00 N ATOM 1175 CE2 TRP A 75 -2.552 -6.124 -9.523 1.00 0.00 C ATOM 1176 CE3 TRP A 75 -2.408 -5.069 -11.738 1.00 0.00 C ATOM 1177 CZ2 TRP A 75 -3.569 -6.977 -9.936 1.00 0.00 C ATOM 1178 CZ3 TRP A 75 -3.431 -5.925 -12.160 1.00 0.00 C ATOM 1179 CH2 TRP A 75 -4.056 -6.877 -11.272 1.00 0.00 C ATOM 0 H TRP A 75 1.062 -6.211 -11.057 1.00 0.00 H new ATOM 0 HA TRP A 75 0.435 -3.964 -12.412 1.00 0.00 H new ATOM 0 HB2 TRP A 75 1.253 -3.770 -9.537 1.00 0.00 H new ATOM 0 HB3 TRP A 75 0.117 -2.778 -10.429 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -0.088 -5.180 -7.694 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -2.153 -6.586 -7.444 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -2.015 -4.304 -12.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -3.984 -7.705 -9.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -3.765 -5.872 -13.186 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -4.872 -7.498 -11.612 1.00 0.00 H new ATOM 1190 N ASN A 76 3.584 -3.684 -11.442 1.00 0.00 N ATOM 1191 CA ASN A 76 4.929 -3.493 -11.902 1.00 0.00 C ATOM 1192 C ASN A 76 5.859 -3.385 -10.645 1.00 0.00 C ATOM 1193 O ASN A 76 6.153 -2.277 -10.137 1.00 0.00 O ATOM 1194 CB ASN A 76 5.153 -2.252 -12.834 1.00 0.00 C ATOM 1195 CG ASN A 76 6.595 -2.186 -13.509 1.00 0.00 C ATOM 1196 OD1 ASN A 76 6.778 -2.968 -14.424 1.00 0.00 O ATOM 1197 ND2 ASN A 76 7.539 -1.430 -13.049 1.00 0.00 N ATOM 0 H ASN A 76 3.589 -4.174 -10.548 1.00 0.00 H new ATOM 0 HA ASN A 76 5.168 -4.353 -12.527 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.398 -2.262 -13.620 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.996 -1.343 -12.253 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.474 -1.478 -13.455 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.348 -0.786 -12.281 1.00 0.00 H new ATOM 1204 N VAL A 77 6.115 -4.534 -10.081 1.00 0.00 N ATOM 1205 CA VAL A 77 7.075 -4.856 -8.988 1.00 0.00 C ATOM 1206 C VAL A 77 8.452 -5.451 -9.560 1.00 0.00 C ATOM 1207 O VAL A 77 8.808 -6.629 -9.472 1.00 0.00 O ATOM 1208 CB VAL A 77 6.473 -5.503 -7.676 1.00 0.00 C ATOM 1209 CG1 VAL A 77 7.498 -5.701 -6.517 1.00 0.00 C ATOM 1210 CG2 VAL A 77 5.239 -4.743 -7.237 1.00 0.00 C ATOM 0 H VAL A 77 5.621 -5.373 -10.386 1.00 0.00 H new ATOM 0 HA VAL A 77 7.358 -3.901 -8.546 1.00 0.00 H new ATOM 0 HB VAL A 77 6.184 -6.520 -7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.996 -6.150 -5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.302 -6.357 -6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.913 -4.735 -6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.834 -5.198 -6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.504 -3.705 -7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.490 -4.778 -8.028 1.00 0.00 H new ATOM 1220 N GLU A 78 9.283 -4.509 -9.938 1.00 0.00 N ATOM 1221 CA GLU A 78 10.765 -4.716 -10.107 1.00 0.00 C ATOM 1222 C GLU A 78 11.596 -5.101 -8.843 1.00 0.00 C ATOM 1223 O GLU A 78 12.620 -5.787 -8.902 1.00 0.00 O ATOM 1224 CB GLU A 78 11.512 -3.609 -10.914 1.00 0.00 C ATOM 1225 CG GLU A 78 10.915 -2.181 -10.928 1.00 0.00 C ATOM 1226 CD GLU A 78 10.956 -1.358 -9.603 1.00 0.00 C ATOM 1227 OE1 GLU A 78 9.980 -1.154 -8.838 1.00 0.00 O ATOM 1228 OE2 GLU A 78 12.195 -0.733 -9.330 1.00 0.00 O ATOM 0 H GLU A 78 8.981 -3.557 -10.147 1.00 0.00 H new ATOM 0 HA GLU A 78 10.724 -5.619 -10.716 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.527 -3.541 -10.523 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.590 -3.947 -11.947 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.438 -1.608 -11.694 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.874 -2.257 -11.242 1.00 0.00 H new ATOM 1236 N ALA A 79 11.220 -4.515 -7.709 1.00 0.00 N ATOM 1237 CA ALA A 79 12.104 -4.381 -6.546 1.00 0.00 C ATOM 1238 C ALA A 79 11.279 -4.523 -5.229 1.00 0.00 C ATOM 1239 O ALA A 79 10.119 -4.083 -5.023 1.00 0.00 O ATOM 1240 CB ALA A 79 12.945 -3.072 -6.693 1.00 0.00 C ATOM 0 H ALA A 79 10.292 -4.117 -7.567 1.00 0.00 H new ATOM 0 HA ALA A 79 12.835 -5.188 -6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.605 -2.965 -5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.542 -3.123 -7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 79 12.276 -2.213 -6.746 1.00 0.00 H new ATOM 1246 N MET A 80 12.137 -4.985 -4.245 1.00 0.00 N ATOM 1247 CA MET A 80 12.057 -4.556 -2.809 1.00 0.00 C ATOM 1248 C MET A 80 12.596 -3.089 -2.692 1.00 0.00 C ATOM 1249 O MET A 80 13.810 -2.844 -2.659 1.00 0.00 O ATOM 1250 CB MET A 80 12.661 -5.549 -1.854 1.00 0.00 C ATOM 1251 CG MET A 80 11.853 -6.797 -1.335 1.00 0.00 C ATOM 1252 SD MET A 80 10.756 -7.731 -2.501 1.00 0.00 S ATOM 1253 CE MET A 80 9.406 -6.702 -3.116 1.00 0.00 C ATOM 0 H MET A 80 12.886 -5.652 -4.430 1.00 0.00 H new ATOM 0 HA MET A 80 11.016 -4.543 -2.487 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.565 -5.933 -2.328 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.976 -4.989 -0.974 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.574 -7.506 -0.929 1.00 0.00 H new ATOM 0 HG3 MET A 80 11.233 -6.461 -0.504 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.463 -7.237 -3.009 1.00 0.00 H new ATOM 0 HE2 MET A 80 9.365 -5.776 -2.543 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.575 -6.471 -4.168 1.00 0.00 H new ATOM 1263 N PRO A 81 11.667 -2.134 -2.423 1.00 0.00 N ATOM 1264 CA PRO A 81 10.206 -2.318 -2.336 1.00 0.00 C ATOM 1265 C PRO A 81 9.210 -1.113 -2.637 1.00 0.00 C ATOM 1266 O PRO A 81 9.332 0.124 -2.373 1.00 0.00 O ATOM 1267 CB PRO A 81 10.014 -2.488 -0.854 1.00 0.00 C ATOM 1268 CG PRO A 81 11.151 -1.499 -0.343 1.00 0.00 C ATOM 1269 CD PRO A 81 12.009 -1.087 -1.551 1.00 0.00 C ATOM 0 HA PRO A 81 9.969 -3.086 -3.073 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.019 -2.193 -0.522 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.169 -3.515 -0.524 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.708 -0.620 0.126 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.767 -1.986 0.412 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.742 -0.106 -1.944 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.074 -1.059 -1.322 1.00 0.00 H new ATOM 1277 N THR A 82 8.240 -1.576 -3.355 1.00 0.00 N ATOM 1278 CA THR A 82 7.267 -0.942 -4.238 1.00 0.00 C ATOM 1279 C THR A 82 5.883 -0.862 -3.323 1.00 0.00 C ATOM 1280 O THR A 82 5.596 -1.619 -2.405 1.00 0.00 O ATOM 1281 CB THR A 82 6.985 -1.819 -5.403 1.00 0.00 C ATOM 1282 OG1 THR A 82 8.120 -2.379 -6.057 1.00 0.00 O ATOM 1283 CG2 THR A 82 6.205 -1.084 -6.560 1.00 0.00 C ATOM 0 H THR A 82 8.071 -2.582 -3.343 1.00 0.00 H new ATOM 0 HA THR A 82 7.619 0.022 -4.605 1.00 0.00 H new ATOM 0 HB THR A 82 6.403 -2.604 -4.920 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.633 -2.917 -5.418 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.031 -1.780 -7.381 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.249 -0.722 -6.182 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.796 -0.241 -6.919 1.00 0.00 H new ATOM 1291 N PHE A 83 5.308 0.404 -3.477 1.00 0.00 N ATOM 1292 CA PHE A 83 3.988 0.903 -3.013 1.00 0.00 C ATOM 1293 C PHE A 83 3.288 1.408 -4.349 1.00 0.00 C ATOM 1294 O PHE A 83 3.841 1.900 -5.349 1.00 0.00 O ATOM 1295 CB PHE A 83 4.141 2.049 -1.988 1.00 0.00 C ATOM 1296 CG PHE A 83 4.924 1.811 -0.714 1.00 0.00 C ATOM 1297 CD1 PHE A 83 6.344 1.750 -0.675 1.00 0.00 C ATOM 1298 CD2 PHE A 83 4.218 1.507 0.509 1.00 0.00 C ATOM 1299 CE1 PHE A 83 6.921 1.682 0.622 1.00 0.00 C ATOM 1300 CE2 PHE A 83 4.797 1.545 1.757 1.00 0.00 C ATOM 1301 CZ PHE A 83 6.152 1.699 1.748 1.00 0.00 C ATOM 0 H PHE A 83 5.817 1.137 -3.970 1.00 0.00 H new ATOM 0 HA PHE A 83 3.409 0.138 -2.496 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.605 2.889 -2.504 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.138 2.366 -1.701 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.945 1.755 -1.572 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.175 1.234 0.440 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.995 1.615 0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.225 1.460 2.669 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.649 1.844 2.696 1.00 0.00 H new ATOM 1311 N ILE A 84 2.024 1.015 -4.321 1.00 0.00 N ATOM 1312 CA ILE A 84 1.112 1.052 -5.499 1.00 0.00 C ATOM 1313 C ILE A 84 -0.255 1.586 -4.997 1.00 0.00 C ATOM 1314 O ILE A 84 -0.767 1.284 -3.920 1.00 0.00 O ATOM 1315 CB ILE A 84 1.015 -0.373 -6.169 1.00 0.00 C ATOM 1316 CG1 ILE A 84 1.883 -0.544 -7.487 1.00 0.00 C ATOM 1317 CG2 ILE A 84 -0.392 -0.873 -6.541 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.540 -1.862 -7.801 1.00 0.00 C ATOM 0 H ILE A 84 1.578 0.653 -3.478 1.00 0.00 H new ATOM 0 HA ILE A 84 1.487 1.713 -6.280 1.00 0.00 H new ATOM 0 HB ILE A 84 1.404 -0.972 -5.346 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.240 -0.296 -8.331 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.671 0.209 -7.454 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.319 -1.863 -6.992 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.008 -0.928 -5.643 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.847 -0.183 -7.251 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.087 -1.781 -8.740 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.231 -2.124 -7.000 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.778 -2.636 -7.890 1.00 0.00 H new ATOM 1330 N PHE A 85 -0.940 2.346 -5.860 1.00 0.00 N ATOM 1331 CA PHE A 85 -1.978 3.405 -5.518 1.00 0.00 C ATOM 1332 C PHE A 85 -3.158 3.138 -6.505 1.00 0.00 C ATOM 1333 O PHE A 85 -3.041 3.264 -7.735 1.00 0.00 O ATOM 1334 CB PHE A 85 -1.452 4.872 -5.631 1.00 0.00 C ATOM 1335 CG PHE A 85 -0.409 5.338 -4.639 1.00 0.00 C ATOM 1336 CD1 PHE A 85 0.862 4.769 -4.517 1.00 0.00 C ATOM 1337 CD2 PHE A 85 -0.758 6.334 -3.711 1.00 0.00 C ATOM 1338 CE1 PHE A 85 1.744 5.152 -3.462 1.00 0.00 C ATOM 1339 CE2 PHE A 85 0.061 6.738 -2.705 1.00 0.00 C ATOM 1340 CZ PHE A 85 1.317 6.173 -2.565 1.00 0.00 C ATOM 0 H PHE A 85 -0.802 2.259 -6.867 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.274 3.324 -4.472 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.040 5.001 -6.632 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.310 5.540 -5.550 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.182 4.027 -5.233 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.727 6.802 -3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.709 4.681 -3.347 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.268 7.500 -2.014 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.974 6.507 -1.775 1.00 0.00 H new ATOM 1350 N LEU A 86 -4.268 2.743 -5.881 1.00 0.00 N ATOM 1351 CA LEU A 86 -5.531 2.239 -6.514 1.00 0.00 C ATOM 1352 C LEU A 86 -6.545 3.182 -5.694 1.00 0.00 C ATOM 1353 O LEU A 86 -6.641 3.223 -4.426 1.00 0.00 O ATOM 1354 CB LEU A 86 -5.702 0.715 -6.246 1.00 0.00 C ATOM 1355 CG LEU A 86 -6.765 -0.088 -7.002 1.00 0.00 C ATOM 1356 CD1 LEU A 86 -8.102 0.667 -7.296 1.00 0.00 C ATOM 1357 CD2 LEU A 86 -6.222 -0.518 -8.408 1.00 0.00 C ATOM 0 H LEU A 86 -4.335 2.759 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.631 2.295 -7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.740 0.243 -6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.903 0.595 -5.182 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.975 -0.920 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.782 0.007 -7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.561 0.973 -6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.896 1.549 -7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.987 -1.088 -8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.968 0.370 -8.987 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.333 -1.135 -8.281 1.00 0.00 H new ATOM 1369 N LYS A 87 -7.257 3.948 -6.477 1.00 0.00 N ATOM 1370 CA LYS A 87 -8.419 4.792 -6.103 1.00 0.00 C ATOM 1371 C LYS A 87 -9.790 4.170 -6.467 1.00 0.00 C ATOM 1372 O LYS A 87 -9.948 3.099 -7.167 1.00 0.00 O ATOM 1373 CB LYS A 87 -7.968 6.172 -6.841 1.00 0.00 C ATOM 1374 CG LYS A 87 -8.746 7.484 -6.492 1.00 0.00 C ATOM 1375 CD LYS A 87 -8.505 7.948 -5.077 1.00 0.00 C ATOM 1376 CE LYS A 87 -9.249 9.268 -4.626 1.00 0.00 C ATOM 1377 NZ LYS A 87 -8.932 9.538 -3.177 1.00 0.00 N ATOM 0 H LYS A 87 -7.045 4.022 -7.472 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.617 4.931 -5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.914 6.340 -6.618 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.045 6.015 -7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.448 8.272 -7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.813 7.318 -6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.798 7.145 -4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.434 8.100 -4.947 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.933 10.108 -5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.325 9.159 -4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.418 10.405 -2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.254 8.738 -2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.905 9.657 -3.063 1.00 0.00 H new ATOM 1390 N ASP A 88 -10.861 4.900 -6.096 1.00 0.00 N ATOM 1391 CA ASP A 88 -12.100 4.868 -6.953 1.00 0.00 C ATOM 1392 C ASP A 88 -12.043 5.335 -8.538 1.00 0.00 C ATOM 1393 O ASP A 88 -12.929 5.986 -9.056 1.00 0.00 O ATOM 1394 CB ASP A 88 -13.314 5.547 -6.172 1.00 0.00 C ATOM 1395 CG ASP A 88 -13.414 7.060 -6.186 1.00 0.00 C ATOM 1396 OD1 ASP A 88 -14.337 7.677 -6.677 1.00 0.00 O ATOM 1397 OD2 ASP A 88 -12.335 7.655 -5.528 1.00 0.00 O ATOM 0 H ASP A 88 -10.914 5.490 -5.265 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.241 3.797 -7.099 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.241 5.148 -6.584 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.263 5.226 -5.132 1.00 0.00 H new ATOM 1403 N GLY A 89 -10.941 4.992 -9.156 1.00 0.00 N ATOM 1404 CA GLY A 89 -10.617 5.314 -10.547 1.00 0.00 C ATOM 1405 C GLY A 89 -9.572 4.489 -11.264 1.00 0.00 C ATOM 1406 O GLY A 89 -8.926 5.038 -12.099 1.00 0.00 O ATOM 0 H GLY A 89 -10.205 4.457 -8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.540 5.250 -11.124 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.293 6.354 -10.578 1.00 0.00 H new ATOM 1410 N LYS A 90 -9.481 3.142 -10.986 1.00 0.00 N ATOM 1411 CA LYS A 90 -8.400 2.200 -11.408 1.00 0.00 C ATOM 1412 C LYS A 90 -7.038 2.522 -10.669 1.00 0.00 C ATOM 1413 O LYS A 90 -6.928 3.292 -9.671 1.00 0.00 O ATOM 1414 CB LYS A 90 -8.357 2.028 -12.968 1.00 0.00 C ATOM 1415 CG LYS A 90 -9.659 1.361 -13.596 1.00 0.00 C ATOM 1416 CD LYS A 90 -10.780 2.318 -14.113 1.00 0.00 C ATOM 1417 CE LYS A 90 -12.002 1.479 -14.580 1.00 0.00 C ATOM 1418 NZ LYS A 90 -13.037 2.510 -14.821 1.00 0.00 N ATOM 0 H LYS A 90 -10.198 2.670 -10.435 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.630 1.190 -11.067 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.210 3.007 -13.425 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.491 1.420 -13.230 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.346 0.729 -14.427 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.097 0.705 -12.844 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.079 3.006 -13.322 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.404 2.924 -14.938 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.780 0.910 -15.483 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.314 0.762 -13.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.914 2.053 -15.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.221 3.030 -13.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.704 3.173 -15.550 1.00 0.00 H new ATOM 1431 N LEU A 91 -5.892 1.942 -11.220 1.00 0.00 N ATOM 1432 CA LEU A 91 -4.485 2.130 -10.865 1.00 0.00 C ATOM 1433 C LEU A 91 -3.961 3.575 -11.270 1.00 0.00 C ATOM 1434 O LEU A 91 -3.590 3.899 -12.421 1.00 0.00 O ATOM 1435 CB LEU A 91 -3.701 0.901 -11.450 1.00 0.00 C ATOM 1436 CG LEU A 91 -2.122 0.908 -11.281 1.00 0.00 C ATOM 1437 CD1 LEU A 91 -1.704 0.734 -9.845 1.00 0.00 C ATOM 1438 CD2 LEU A 91 -1.390 -0.113 -12.131 1.00 0.00 C ATOM 0 H LEU A 91 -5.981 1.278 -11.989 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.320 2.132 -9.787 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.088 -0.003 -10.980 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.928 0.829 -12.514 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.830 1.896 -11.638 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.616 0.745 -9.779 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.112 1.548 -9.246 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.081 -0.217 -9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.318 -0.035 -11.950 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.730 -1.115 -11.870 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.595 0.077 -13.185 1.00 0.00 H new ATOM 1450 N VAL A 92 -3.984 4.512 -10.284 1.00 0.00 N ATOM 1451 CA VAL A 92 -3.425 5.918 -10.404 1.00 0.00 C ATOM 1452 C VAL A 92 -1.868 5.988 -10.469 1.00 0.00 C ATOM 1453 O VAL A 92 -1.356 6.712 -11.284 1.00 0.00 O ATOM 1454 CB VAL A 92 -4.085 6.913 -9.367 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -5.668 6.973 -9.495 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -3.629 6.678 -7.929 1.00 0.00 C ATOM 0 H VAL A 92 -4.392 4.326 -9.368 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.727 6.276 -11.388 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.714 7.901 -9.640 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.066 7.671 -8.759 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.940 7.307 -10.496 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.085 5.982 -9.317 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.120 7.394 -7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.893 5.665 -7.625 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.549 6.807 -7.864 1.00 0.00 H new ATOM 1466 N ASP A 93 -1.077 5.367 -9.548 1.00 0.00 N ATOM 1467 CA ASP A 93 0.362 5.673 -9.289 1.00 0.00 C ATOM 1468 C ASP A 93 1.209 4.460 -8.716 1.00 0.00 C ATOM 1469 O ASP A 93 0.631 3.423 -8.281 1.00 0.00 O ATOM 1470 CB ASP A 93 0.370 6.966 -8.433 1.00 0.00 C ATOM 1471 CG ASP A 93 1.636 7.746 -8.217 1.00 0.00 C ATOM 1472 OD1 ASP A 93 2.182 7.772 -7.155 1.00 0.00 O ATOM 1473 OD2 ASP A 93 1.963 8.502 -9.257 1.00 0.00 O ATOM 0 H ASP A 93 -1.431 4.621 -8.950 1.00 0.00 H new ATOM 0 HA ASP A 93 0.898 5.844 -10.223 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.353 7.649 -8.880 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.012 6.698 -7.448 1.00 0.00 H new ATOM 1479 N LYS A 94 2.534 4.639 -8.819 1.00 0.00 N ATOM 1480 CA LYS A 94 3.533 3.612 -8.466 1.00 0.00 C ATOM 1481 C LYS A 94 4.985 4.225 -8.280 1.00 0.00 C ATOM 1482 O LYS A 94 5.475 4.979 -9.086 1.00 0.00 O ATOM 1483 CB LYS A 94 3.624 2.408 -9.400 1.00 0.00 C ATOM 1484 CG LYS A 94 3.683 2.589 -10.931 1.00 0.00 C ATOM 1485 CD LYS A 94 3.204 1.250 -11.613 1.00 0.00 C ATOM 1486 CE LYS A 94 3.246 1.265 -13.174 1.00 0.00 C ATOM 1487 NZ LYS A 94 1.990 1.744 -13.736 1.00 0.00 N ATOM 0 H LYS A 94 2.949 5.509 -9.153 1.00 0.00 H new ATOM 0 HA LYS A 94 3.149 3.233 -7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.513 1.847 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.763 1.774 -9.187 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.047 3.419 -11.239 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.698 2.832 -11.245 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.827 0.431 -11.254 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.184 1.039 -11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.063 1.902 -13.511 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.452 0.260 -13.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.051 1.742 -14.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.214 1.121 -13.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.807 2.712 -13.402 1.00 0.00 H new ATOM 1500 N THR A 95 5.486 3.970 -7.102 1.00 0.00 N ATOM 1501 CA THR A 95 6.761 4.575 -6.593 1.00 0.00 C ATOM 1502 C THR A 95 7.355 3.498 -5.636 1.00 0.00 C ATOM 1503 O THR A 95 6.703 2.805 -4.908 1.00 0.00 O ATOM 1504 CB THR A 95 6.570 5.987 -5.903 1.00 0.00 C ATOM 1505 OG1 THR A 95 5.876 6.889 -6.735 1.00 0.00 O ATOM 1506 CG2 THR A 95 7.918 6.653 -5.384 1.00 0.00 C ATOM 0 H THR A 95 5.043 3.336 -6.437 1.00 0.00 H new ATOM 0 HA THR A 95 7.441 4.808 -7.413 1.00 0.00 H new ATOM 0 HB THR A 95 5.969 5.776 -5.019 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.776 7.748 -6.274 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.695 7.616 -4.926 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.386 6.000 -4.647 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.598 6.799 -6.223 1.00 0.00 H new ATOM 1514 N VAL A 96 8.609 3.404 -5.683 1.00 0.00 N ATOM 1515 CA VAL A 96 9.461 2.260 -5.214 1.00 0.00 C ATOM 1516 C VAL A 96 10.623 2.991 -4.441 1.00 0.00 C ATOM 1517 O VAL A 96 11.399 3.762 -5.011 1.00 0.00 O ATOM 1518 CB VAL A 96 9.811 1.326 -6.429 1.00 0.00 C ATOM 1519 CG1 VAL A 96 10.432 2.076 -7.619 1.00 0.00 C ATOM 1520 CG2 VAL A 96 10.663 0.166 -5.934 1.00 0.00 C ATOM 0 H VAL A 96 9.175 4.157 -6.073 1.00 0.00 H new ATOM 0 HA VAL A 96 9.011 1.537 -4.533 1.00 0.00 H new ATOM 0 HB VAL A 96 8.882 0.925 -6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.648 1.370 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.733 2.831 -7.978 1.00 0.00 H new ATOM 0 HG13 VAL A 96 11.356 2.559 -7.302 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.910 -0.487 -6.771 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.581 0.552 -5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.108 -0.399 -5.185 1.00 0.00 H new ATOM 1530 N GLY A 97 10.587 2.892 -3.066 1.00 0.00 N ATOM 1531 CA GLY A 97 11.673 3.328 -2.154 1.00 0.00 C ATOM 1532 C GLY A 97 11.230 3.148 -0.697 1.00 0.00 C ATOM 1533 O GLY A 97 10.313 2.367 -0.390 1.00 0.00 O ATOM 0 H GLY A 97 9.787 2.500 -2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.575 2.747 -2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.921 4.373 -2.342 1.00 0.00 H new ATOM 1537 N ALA A 98 11.962 3.821 0.221 1.00 0.00 N ATOM 1538 CA ALA A 98 11.744 3.722 1.739 1.00 0.00 C ATOM 1539 C ALA A 98 12.481 4.868 2.450 1.00 0.00 C ATOM 1540 O ALA A 98 13.676 4.852 2.728 1.00 0.00 O ATOM 1541 CB ALA A 98 11.935 2.373 2.472 1.00 0.00 C ATOM 0 H ALA A 98 12.722 4.451 -0.036 1.00 0.00 H new ATOM 0 HA ALA A 98 10.660 3.812 1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.736 2.505 3.536 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.244 1.636 2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.959 2.026 2.335 1.00 0.00 H new ATOM 1547 N ASP A 99 11.686 5.845 2.931 1.00 0.00 N ATOM 1548 CA ASP A 99 12.146 7.114 3.578 1.00 0.00 C ATOM 1549 C ASP A 99 11.058 7.645 4.482 1.00 0.00 C ATOM 1550 O ASP A 99 9.980 7.907 3.961 1.00 0.00 O ATOM 1551 CB ASP A 99 12.704 8.244 2.605 1.00 0.00 C ATOM 1552 CG ASP A 99 13.321 9.556 3.218 1.00 0.00 C ATOM 1553 OD1 ASP A 99 12.827 10.284 4.072 1.00 0.00 O ATOM 1554 OD2 ASP A 99 14.409 9.948 2.483 1.00 0.00 O ATOM 0 H ASP A 99 10.669 5.781 2.883 1.00 0.00 H new ATOM 0 HA ASP A 99 13.027 6.836 4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.468 7.786 1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.887 8.543 1.948 1.00 0.00 H new ATOM 1560 N LYS A 100 11.487 7.973 5.701 1.00 0.00 N ATOM 1561 CA LYS A 100 10.635 8.577 6.774 1.00 0.00 C ATOM 1562 C LYS A 100 9.623 9.676 6.435 1.00 0.00 C ATOM 1563 O LYS A 100 8.395 9.568 6.496 1.00 0.00 O ATOM 1564 CB LYS A 100 11.525 8.882 7.994 1.00 0.00 C ATOM 1565 CG LYS A 100 12.556 10.043 7.965 1.00 0.00 C ATOM 1566 CD LYS A 100 13.609 10.104 9.164 1.00 0.00 C ATOM 1567 CE LYS A 100 14.394 11.380 9.229 1.00 0.00 C ATOM 1568 NZ LYS A 100 15.399 11.484 10.310 1.00 0.00 N ATOM 0 H LYS A 100 12.453 7.831 5.995 1.00 0.00 H new ATOM 0 HA LYS A 100 9.900 7.803 6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.858 9.069 8.836 1.00 0.00 H new ATOM 0 HB3 LYS A 100 12.078 7.970 8.221 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.111 9.981 7.029 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.007 10.984 7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.078 9.969 10.106 1.00 0.00 H new ATOM 0 HD3 LYS A 100 14.302 9.269 9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.904 11.515 8.275 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.692 12.207 9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.876 12.407 10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.927 11.394 11.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.101 10.724 10.205 1.00 0.00 H new ATOM 1581 N ASP A 101 10.163 10.797 5.954 1.00 0.00 N ATOM 1582 CA ASP A 101 9.413 11.837 5.124 1.00 0.00 C ATOM 1583 C ASP A 101 8.813 11.492 3.768 1.00 0.00 C ATOM 1584 O ASP A 101 7.653 11.835 3.453 1.00 0.00 O ATOM 1585 CB ASP A 101 10.186 13.174 5.062 1.00 0.00 C ATOM 1586 CG ASP A 101 11.425 13.276 4.126 1.00 0.00 C ATOM 1587 OD1 ASP A 101 12.552 12.929 4.418 1.00 0.00 O ATOM 1588 OD2 ASP A 101 11.123 13.776 2.893 1.00 0.00 O ATOM 0 H ASP A 101 11.140 11.044 6.112 1.00 0.00 H new ATOM 0 HA ASP A 101 8.500 11.902 5.716 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.481 13.950 4.764 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.515 13.413 6.073 1.00 0.00 H new ATOM 1594 N GLY A 102 9.627 10.859 2.847 1.00 0.00 N ATOM 1595 CA GLY A 102 9.241 10.492 1.469 1.00 0.00 C ATOM 1596 C GLY A 102 7.788 9.968 1.214 1.00 0.00 C ATOM 1597 O GLY A 102 7.051 10.645 0.528 1.00 0.00 O ATOM 0 H GLY A 102 10.587 10.593 3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.393 11.368 0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.935 9.726 1.123 1.00 0.00 H new ATOM 1601 N LEU A 103 7.460 8.826 1.793 1.00 0.00 N ATOM 1602 CA LEU A 103 6.114 8.211 1.840 1.00 0.00 C ATOM 1603 C LEU A 103 4.911 9.091 2.389 1.00 0.00 C ATOM 1604 O LEU A 103 3.921 9.108 1.680 1.00 0.00 O ATOM 1605 CB LEU A 103 6.339 6.783 2.451 1.00 0.00 C ATOM 1606 CG LEU A 103 5.052 5.909 2.714 1.00 0.00 C ATOM 1607 CD1 LEU A 103 4.286 5.509 1.414 1.00 0.00 C ATOM 1608 CD2 LEU A 103 5.453 4.660 3.458 1.00 0.00 C ATOM 0 H LEU A 103 8.156 8.258 2.276 1.00 0.00 H new ATOM 0 HA LEU A 103 5.693 8.126 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.996 6.227 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.870 6.898 3.396 1.00 0.00 H new ATOM 0 HG LEU A 103 4.368 6.523 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.414 4.910 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.964 6.409 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.944 4.929 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.570 4.049 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.167 4.094 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.912 4.934 4.408 1.00 0.00 H new ATOM 1620 N PRO A 104 4.926 9.688 3.646 1.00 0.00 N ATOM 1621 CA PRO A 104 4.007 10.762 4.096 1.00 0.00 C ATOM 1622 C PRO A 104 3.595 11.951 3.133 1.00 0.00 C ATOM 1623 O PRO A 104 2.364 12.123 2.963 1.00 0.00 O ATOM 1624 CB PRO A 104 4.763 11.264 5.338 1.00 0.00 C ATOM 1625 CG PRO A 104 5.335 9.994 5.919 1.00 0.00 C ATOM 1626 CD PRO A 104 5.871 9.279 4.693 1.00 0.00 C ATOM 0 HA PRO A 104 3.006 10.347 4.218 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.545 11.976 5.075 1.00 0.00 H new ATOM 0 HB3 PRO A 104 4.098 11.766 6.041 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.122 10.199 6.645 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.575 9.405 6.431 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.891 9.583 4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.884 8.197 4.828 1.00 0.00 H new ATOM 1634 N THR A 105 4.632 12.481 2.401 1.00 0.00 N ATOM 1635 CA THR A 105 4.551 13.485 1.345 1.00 0.00 C ATOM 1636 C THR A 105 3.853 13.080 -0.033 1.00 0.00 C ATOM 1637 O THR A 105 2.927 13.713 -0.555 1.00 0.00 O ATOM 1638 CB THR A 105 5.887 14.268 1.075 1.00 0.00 C ATOM 1639 OG1 THR A 105 6.341 14.968 2.223 1.00 0.00 O ATOM 1640 CG2 THR A 105 5.738 15.316 -0.088 1.00 0.00 C ATOM 0 H THR A 105 5.594 12.183 2.563 1.00 0.00 H new ATOM 0 HA THR A 105 3.838 14.160 1.819 1.00 0.00 H new ATOM 0 HB THR A 105 6.610 13.502 0.796 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.174 15.439 2.011 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.687 15.831 -0.237 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.456 14.802 -1.007 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.968 16.042 0.173 1.00 0.00 H new ATOM 1648 N LEU A 106 4.281 11.922 -0.599 1.00 0.00 N ATOM 1649 CA LEU A 106 3.499 11.241 -1.742 1.00 0.00 C ATOM 1650 C LEU A 106 1.981 10.918 -1.548 1.00 0.00 C ATOM 1651 O LEU A 106 1.133 11.298 -2.328 1.00 0.00 O ATOM 1652 CB LEU A 106 4.368 9.978 -2.003 1.00 0.00 C ATOM 1653 CG LEU A 106 3.871 8.989 -3.155 1.00 0.00 C ATOM 1654 CD1 LEU A 106 4.056 9.689 -4.512 1.00 0.00 C ATOM 1655 CD2 LEU A 106 4.655 7.661 -3.232 1.00 0.00 C ATOM 0 H LEU A 106 5.129 11.430 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 106 3.385 11.933 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.378 10.305 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.433 9.412 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 106 2.833 8.752 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.721 9.028 -5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.469 10.607 -4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.109 9.929 -4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.254 7.048 -4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.707 7.870 -3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.557 7.126 -2.288 1.00 0.00 H new ATOM 1667 N VAL A 107 1.613 10.298 -0.364 1.00 0.00 N ATOM 1668 CA VAL A 107 0.267 9.983 0.170 1.00 0.00 C ATOM 1669 C VAL A 107 -0.640 11.181 0.424 1.00 0.00 C ATOM 1670 O VAL A 107 -1.766 11.165 -0.046 1.00 0.00 O ATOM 1671 CB VAL A 107 0.344 8.895 1.285 1.00 0.00 C ATOM 1672 CG1 VAL A 107 -1.120 8.571 1.824 1.00 0.00 C ATOM 1673 CG2 VAL A 107 1.062 7.655 0.775 1.00 0.00 C ATOM 0 H VAL A 107 2.335 9.985 0.286 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.295 9.516 -0.638 1.00 0.00 H new ATOM 0 HB VAL A 107 0.928 9.273 2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.061 7.810 2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.565 9.477 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.737 8.203 1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.105 6.908 1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.521 7.247 -0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.074 7.920 0.471 1.00 0.00 H new ATOM 1683 N ALA A 108 -0.169 12.171 1.265 1.00 0.00 N ATOM 1684 CA ALA A 108 -0.865 13.419 1.372 1.00 0.00 C ATOM 1685 C ALA A 108 -1.242 14.177 0.036 1.00 0.00 C ATOM 1686 O ALA A 108 -2.394 14.633 -0.180 1.00 0.00 O ATOM 1687 CB ALA A 108 0.004 14.382 2.259 1.00 0.00 C ATOM 0 H ALA A 108 0.667 12.091 1.843 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.831 13.152 1.800 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.503 15.342 2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.142 13.941 3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.976 14.531 1.789 1.00 0.00 H new ATOM 1693 N LYS A 109 -0.205 14.316 -0.833 1.00 0.00 N ATOM 1694 CA LYS A 109 -0.470 14.781 -2.230 1.00 0.00 C ATOM 1695 C LYS A 109 -1.588 13.921 -3.018 1.00 0.00 C ATOM 1696 O LYS A 109 -2.477 14.417 -3.711 1.00 0.00 O ATOM 1697 CB LYS A 109 0.800 14.675 -3.189 1.00 0.00 C ATOM 1698 CG LYS A 109 1.731 15.904 -3.092 1.00 0.00 C ATOM 1699 CD LYS A 109 2.935 15.774 -4.042 1.00 0.00 C ATOM 1700 CE LYS A 109 3.783 17.033 -4.157 1.00 0.00 C ATOM 1701 NZ LYS A 109 5.144 16.855 -4.697 1.00 0.00 N ATOM 0 H LYS A 109 0.773 14.126 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.788 15.809 -2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.365 13.777 -2.938 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.463 14.562 -4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.170 16.807 -3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.085 16.014 -2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.567 14.955 -3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.573 15.503 -5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.254 17.746 -4.790 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.863 17.483 -3.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.628 17.775 -4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.678 16.205 -4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.088 16.459 -5.657 1.00 0.00 H new ATOM 1714 N HIS A 110 -1.641 12.599 -2.844 1.00 0.00 N ATOM 1715 CA HIS A 110 -2.686 11.666 -3.242 1.00 0.00 C ATOM 1716 C HIS A 110 -4.131 11.670 -2.610 1.00 0.00 C ATOM 1717 O HIS A 110 -5.185 11.697 -3.306 1.00 0.00 O ATOM 1718 CB HIS A 110 -2.022 10.275 -3.565 1.00 0.00 C ATOM 1719 CG HIS A 110 -1.280 10.244 -4.916 1.00 0.00 C ATOM 1720 ND1 HIS A 110 -1.948 10.123 -6.059 1.00 0.00 N ATOM 1721 CD2 HIS A 110 0.114 10.321 -5.120 1.00 0.00 C ATOM 1722 CE1 HIS A 110 -0.938 10.386 -6.895 1.00 0.00 C ATOM 1723 NE2 HIS A 110 0.357 10.486 -6.484 1.00 0.00 N ATOM 0 H HIS A 110 -0.877 12.112 -2.375 1.00 0.00 H new ATOM 0 HA HIS A 110 -3.111 12.123 -4.135 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.321 10.023 -2.769 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -2.794 9.505 -3.566 1.00 0.00 H new ATOM 0 HD2 HIS A 110 0.868 10.262 -4.349 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -1.159 10.525 -7.943 1.00 0.00 H new ATOM 0 HE2 HIS A 110 1.222 10.633 -7.004 1.00 0.00 H new ATOM 1731 N ALA A 111 -4.190 11.618 -1.301 1.00 0.00 N ATOM 1732 CA ALA A 111 -5.402 11.895 -0.485 1.00 0.00 C ATOM 1733 C ALA A 111 -6.081 13.242 -0.591 1.00 0.00 C ATOM 1734 O ALA A 111 -7.289 13.278 -0.707 1.00 0.00 O ATOM 1735 CB ALA A 111 -5.052 11.634 0.920 1.00 0.00 C ATOM 0 H ALA A 111 -3.379 11.375 -0.731 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.159 11.234 -0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.918 11.827 1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.745 10.594 1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.232 12.288 1.218 1.00 0.00 H new