USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1086 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 TYR OH : rot -56:sc= 0.0117 USER MOD Set 1.2: A 134 HIS : no HD1:sc= -1.22 X(o=-1.2,f=-1.4) USER MOD Set 2.1: A 94 GLN : amide:sc= -0.0537 K(o=-0.12,f=-1.5!) USER MOD Set 2.2: A 96 HIS :FLIP no HD1:sc= -0.0669 F(o=-1.3,f=-0.12) USER MOD Set 3.1: A 1 HIS N :NH3+ 153:sc= -0.0175 (180deg=-0.197) USER MOD Set 3.2: A 90 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-4.5) USER MOD Set 4.1: A 83 THR OG1 : rot -53:sc= 0.13 USER MOD Set 4.2: A 133 SER OG : rot 43:sc= 0.519 USER MOD Set 5.1: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 135 HIS : no HE2:sc= 0.669 K(o=0.67,f=-3.9!) USER MOD Set 6.1: A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 80 HIS : no HD1:sc= 0.317 K(o=0.32,f=-2.6!) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0.678 K(o=0.68,f=-0.012) USER MOD Single : A 34 SER OG : rot -38:sc= 0.335 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -146:sc= 0.326 (180deg=-0.00545) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 66 SER OG : rot 170:sc= 0.24 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 72 LYS NZ :NH3+ -155:sc= 0.476 (180deg=-0.29) USER MOD Single : A 73 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=0) USER MOD Single : A 76 THR OG1 : rot -170:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 14:sc= 1.52 USER MOD Single : A 87 THR OG1 : rot -33:sc= 0.0355 USER MOD Single : A 91 ASN : amide:sc= -0.243 K(o=-0.24,f=-1.9!) USER MOD Single : A 92 THR OG1 : rot -170:sc= -0.163 USER MOD Single : A 93 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 168:sc= 0.916 USER MOD Single : A 101 LYS NZ :NH3+ -114:sc= 0.131 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -109:sc= 0.529 (180deg=-1.22) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HE2:sc= 0.134 K(o=0.13,f=-0.81) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 79:sc= 0.54 USER MOD Single : A 131 ASN : amide:sc= -0.0603 K(o=-0.06,f=-2.2!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 HIS :FLIP no HE2:sc= -1.14 F(o=-1.9,f=-1.1) USER MOD Single : A 157 THR OG1 : rot 99:sc= 0.732 USER MOD Single : A 159 ASN : amide:sc= -0.0259 K(o=-0.026,f=-1.5!) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.64) USER MOD Single : A 171 ASN : amide:sc= -0.067 K(o=-0.067,f=-1.7) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 1.821 1.781 -1.998 1.00 25.00 N ATOM 2 CA HIS A 1 3.039 1.395 -2.782 1.00 25.00 C ATOM 3 C HIS A 1 2.765 1.595 -4.304 1.00 25.00 C ATOM 4 O HIS A 1 3.329 0.926 -5.184 1.00 25.00 O ATOM 5 CB HIS A 1 3.633 0.047 -2.356 1.00 0.00 C ATOM 6 CG HIS A 1 2.807 -1.155 -2.706 1.00 0.00 C ATOM 7 ND1 HIS A 1 1.676 -1.536 -2.071 1.00 0.00 N ATOM 8 CD2 HIS A 1 3.012 -2.035 -3.702 1.00 0.00 C ATOM 9 CE1 HIS A 1 1.273 -2.694 -2.655 1.00 0.00 C ATOM 10 NE2 HIS A 1 2.067 -3.047 -3.686 1.00 0.00 N ATOM 0 H1 HIS A 1 1.803 1.254 -1.102 1.00 25.00 H new ATOM 0 H2 HIS A 1 1.845 2.801 -1.799 1.00 25.00 H new ATOM 0 H3 HIS A 1 0.968 1.556 -2.549 1.00 25.00 H new ATOM 0 HA HIS A 1 3.861 2.070 -2.542 1.00 25.00 H new ATOM 0 HB2 HIS A 1 4.615 -0.061 -2.816 1.00 0.00 H new ATOM 0 HB3 HIS A 1 3.786 0.061 -1.277 1.00 0.00 H new ATOM 0 HD2 HIS A 1 3.813 -1.962 -4.423 1.00 0.00 H new ATOM 0 HE1 HIS A 1 0.416 -3.266 -2.331 1.00 0.00 H new ATOM 0 HE2 HIS A 1 1.991 -3.857 -4.301 1.00 0.00 H new ATOM 17 N GLY A 2 1.895 2.546 -4.635 1.00 25.00 N ATOM 18 CA GLY A 2 1.490 2.766 -6.051 1.00 25.00 C ATOM 19 C GLY A 2 2.433 3.656 -6.855 1.00 25.00 C ATOM 20 O GLY A 2 3.538 3.857 -6.373 1.00 25.00 O ATOM 0 H GLY A 2 1.454 3.176 -3.965 1.00 25.00 H new ATOM 0 HA2 GLY A 2 1.415 1.798 -6.547 1.00 25.00 H new ATOM 0 HA3 GLY A 2 0.494 3.209 -6.065 1.00 25.00 H new ATOM 24 N PHE A 3 2.077 4.195 -8.039 1.00 25.00 N ATOM 25 CA PHE A 3 3.095 5.000 -8.757 1.00 25.00 C ATOM 26 C PHE A 3 2.552 6.151 -9.644 1.00 25.00 C ATOM 27 O PHE A 3 1.338 6.094 -9.999 1.00 25.00 O ATOM 28 CB PHE A 3 4.011 4.107 -9.599 1.00 25.00 C ATOM 29 CG PHE A 3 3.283 3.332 -10.655 1.00 25.00 C ATOM 30 CD1 PHE A 3 3.121 3.733 -11.952 1.00 50.00 C ATOM 31 CD2 PHE A 3 2.797 2.053 -10.333 1.00 50.00 C ATOM 32 CE1 PHE A 3 2.504 2.920 -12.955 1.00 25.00 C ATOM 33 CE2 PHE A 3 2.223 1.187 -11.312 1.00 25.00 C ATOM 34 CZ PHE A 3 2.023 1.683 -12.642 1.00 25.00 C ATOM 0 H PHE A 3 1.168 4.103 -8.493 1.00 25.00 H new ATOM 0 HA PHE A 3 3.648 5.484 -7.952 1.00 25.00 H new ATOM 0 HB2 PHE A 3 4.773 4.726 -10.074 1.00 25.00 H new ATOM 0 HB3 PHE A 3 4.531 3.410 -8.941 1.00 25.00 H new ATOM 0 HD1 PHE A 3 3.477 4.713 -12.234 1.00 50.00 H new ATOM 0 HD2 PHE A 3 2.860 1.714 -9.310 1.00 50.00 H new ATOM 0 HE1 PHE A 3 2.419 3.289 -13.967 1.00 25.00 H new ATOM 0 HE2 PHE A 3 1.944 0.176 -11.055 1.00 25.00 H new ATOM 0 HZ PHE A 3 1.503 1.090 -13.380 1.00 25.00 H new ATOM 44 N ILE A 4 3.287 7.262 -9.881 1.00 25.00 N ATOM 45 CA ILE A 4 2.863 8.399 -10.671 1.00 25.00 C ATOM 46 C ILE A 4 2.748 7.889 -12.109 1.00 25.00 C ATOM 47 O ILE A 4 3.616 7.218 -12.536 1.00 25.00 O ATOM 48 CB ILE A 4 3.786 9.613 -10.639 1.00 25.00 C ATOM 49 CG1 ILE A 4 3.998 10.112 -9.169 1.00 25.00 C ATOM 50 CG2 ILE A 4 3.294 10.780 -11.519 1.00 25.00 C ATOM 51 CD1 ILE A 4 2.750 10.634 -8.453 1.00 25.00 C ATOM 0 H ILE A 4 4.227 7.377 -9.503 1.00 25.00 H new ATOM 0 HA ILE A 4 1.928 8.766 -10.247 1.00 25.00 H new ATOM 0 HB ILE A 4 4.735 9.277 -11.056 1.00 25.00 H new ATOM 0 HG12 ILE A 4 4.412 9.291 -8.584 1.00 25.00 H new ATOM 0 HG13 ILE A 4 4.746 10.905 -9.179 1.00 25.00 H new ATOM 0 HG21 ILE A 4 3.997 11.610 -11.449 1.00 25.00 H new ATOM 0 HG22 ILE A 4 3.224 10.450 -12.555 1.00 25.00 H new ATOM 0 HG23 ILE A 4 2.313 11.106 -11.175 1.00 25.00 H new ATOM 0 HD11 ILE A 4 3.015 10.952 -7.445 1.00 25.00 H new ATOM 0 HD12 ILE A 4 2.342 11.481 -9.005 1.00 25.00 H new ATOM 0 HD13 ILE A 4 2.003 9.842 -8.399 1.00 25.00 H new ATOM 63 N GLU A 5 1.641 8.205 -12.747 1.00 25.00 N ATOM 64 CA GLU A 5 1.279 7.759 -14.119 1.00 25.00 C ATOM 65 C GLU A 5 1.128 9.041 -15.005 1.00 25.00 C ATOM 66 O GLU A 5 0.283 9.233 -15.859 1.00 25.00 O ATOM 67 CB GLU A 5 -0.065 6.992 -14.016 1.00 25.00 C ATOM 68 CG GLU A 5 -0.045 5.733 -14.880 1.00 25.00 C ATOM 69 CD GLU A 5 -0.294 5.920 -16.355 1.00 25.00 C ATOM 70 OE1 GLU A 5 -1.500 6.160 -16.635 1.00 25.00 O ATOM 71 OE2 GLU A 5 0.574 5.755 -17.259 1.00 25.00 O1- ATOM 0 H GLU A 5 0.927 8.801 -12.328 1.00 25.00 H new ATOM 0 HA GLU A 5 2.032 7.106 -14.561 1.00 25.00 H new ATOM 0 HB2 GLU A 5 -0.255 6.721 -12.977 1.00 25.00 H new ATOM 0 HB3 GLU A 5 -0.883 7.640 -14.331 1.00 25.00 H new ATOM 0 HG2 GLU A 5 0.925 5.251 -14.757 1.00 25.00 H new ATOM 0 HG3 GLU A 5 -0.795 5.043 -14.493 1.00 25.00 H new ATOM 78 N LYS A 6 2.088 9.896 -14.676 1.00 25.00 N ATOM 79 CA LYS A 6 2.475 11.150 -15.375 1.00 25.00 C ATOM 80 C LYS A 6 1.482 12.307 -15.230 1.00 25.00 C ATOM 81 O LYS A 6 0.421 12.098 -14.648 1.00 25.00 O ATOM 82 CB LYS A 6 2.847 10.774 -16.834 1.00 25.00 C ATOM 83 CG LYS A 6 3.979 9.799 -16.955 1.00 25.00 C ATOM 84 CD LYS A 6 4.354 9.403 -18.376 1.00 25.00 C ATOM 85 CE LYS A 6 5.487 8.427 -18.603 1.00 25.00 C ATOM 86 NZ LYS A 6 5.705 8.212 -20.036 1.00 25.00 N1+ ATOM 0 H LYS A 6 2.670 9.734 -13.854 1.00 25.00 H new ATOM 0 HA LYS A 6 3.348 11.581 -14.885 1.00 25.00 H new ATOM 0 HB2 LYS A 6 1.968 10.354 -17.323 1.00 25.00 H new ATOM 0 HB3 LYS A 6 3.108 11.684 -17.375 1.00 25.00 H new ATOM 0 HG2 LYS A 6 4.857 10.227 -16.472 1.00 25.00 H new ATOM 0 HG3 LYS A 6 3.719 8.897 -16.402 1.00 25.00 H new ATOM 0 HD2 LYS A 6 3.463 8.984 -18.844 1.00 25.00 H new ATOM 0 HD3 LYS A 6 4.598 10.318 -18.916 1.00 25.00 H new ATOM 0 HE2 LYS A 6 6.399 8.808 -18.144 1.00 25.00 H new ATOM 0 HE3 LYS A 6 5.259 7.478 -18.118 1.00 25.00 H new ATOM 0 HZ1 LYS A 6 6.486 7.539 -20.171 1.00 25.00 H new ATOM 0 HZ2 LYS A 6 4.839 7.828 -20.465 1.00 25.00 H new ATOM 0 HZ3 LYS A 6 5.944 9.116 -20.490 1.00 25.00 H new ATOM 100 N PRO A 7 1.825 13.588 -15.516 1.00 25.00 N ATOM 101 CA PRO A 7 3.055 14.207 -16.044 1.00 25.00 C ATOM 102 C PRO A 7 4.328 13.856 -15.250 1.00 25.00 C ATOM 103 O PRO A 7 4.498 14.133 -14.064 1.00 25.00 O ATOM 104 CB PRO A 7 2.812 15.716 -15.965 1.00 25.00 C ATOM 105 CG PRO A 7 1.306 15.884 -16.009 1.00 25.00 C ATOM 106 CD PRO A 7 0.827 14.626 -15.255 1.00 25.00 C ATOM 0 HA PRO A 7 3.237 13.838 -17.053 1.00 25.00 H new ATOM 0 HB2 PRO A 7 3.227 16.133 -15.048 1.00 25.00 H new ATOM 0 HB3 PRO A 7 3.290 16.235 -16.796 1.00 25.00 H new ATOM 0 HG2 PRO A 7 0.982 16.802 -15.519 1.00 25.00 H new ATOM 0 HG3 PRO A 7 0.928 15.917 -17.031 1.00 25.00 H new ATOM 0 HD2 PRO A 7 0.740 14.822 -14.186 1.00 25.00 H new ATOM 0 HD3 PRO A 7 -0.158 14.315 -15.603 1.00 25.00 H new ATOM 114 N GLY A 8 5.285 13.272 -15.984 1.00 25.00 N ATOM 115 CA GLY A 8 6.592 12.951 -15.464 1.00 25.00 C ATOM 116 C GLY A 8 6.603 11.580 -14.812 1.00 25.00 C ATOM 117 O GLY A 8 5.644 11.213 -14.096 1.00 25.00 O ATOM 0 H GLY A 8 5.158 13.013 -16.962 1.00 25.00 H new ATOM 0 HA2 GLY A 8 7.324 12.978 -16.271 1.00 25.00 H new ATOM 0 HA3 GLY A 8 6.892 13.705 -14.736 1.00 25.00 H new ATOM 121 N SER A 9 7.723 10.856 -14.864 1.00 25.00 N ATOM 122 CA SER A 9 7.916 9.581 -14.097 1.00 25.00 C ATOM 123 C SER A 9 9.365 9.484 -13.689 1.00 25.00 C ATOM 124 O SER A 9 10.266 9.860 -14.415 1.00 25.00 O ATOM 125 CB SER A 9 7.688 8.416 -15.039 1.00 25.00 C ATOM 126 OG SER A 9 8.382 7.240 -14.654 1.00 25.00 O ATOM 0 H SER A 9 8.530 11.118 -15.430 1.00 25.00 H new ATOM 0 HA SER A 9 7.240 9.564 -13.242 1.00 25.00 H new ATOM 0 HB2 SER A 9 6.621 8.200 -15.088 1.00 25.00 H new ATOM 0 HB3 SER A 9 8.001 8.703 -16.043 1.00 25.00 H new ATOM 0 HG SER A 9 8.195 6.525 -15.297 1.00 25.00 H new ATOM 132 N ARG A 10 9.698 9.125 -12.433 1.00 25.00 N ATOM 133 CA ARG A 10 11.114 9.092 -12.009 1.00 25.00 C ATOM 134 C ARG A 10 11.837 7.899 -12.565 1.00 25.00 C ATOM 135 O ARG A 10 13.062 7.884 -12.576 1.00 25.00 O ATOM 136 CB ARG A 10 11.166 9.179 -10.473 1.00 25.00 C ATOM 137 CG ARG A 10 12.554 9.562 -9.974 1.00 25.00 C ATOM 138 CD ARG A 10 12.589 9.613 -8.464 1.00 25.00 C ATOM 139 NE ARG A 10 13.781 10.343 -7.969 1.00 25.00 N ATOM 140 CZ ARG A 10 14.033 10.663 -6.690 1.00 25.00 C ATOM 141 NH1 ARG A 10 15.113 11.320 -6.364 1.00 25.00 N1+ ATOM 142 NH2 ARG A 10 13.239 10.439 -5.696 1.00 25.00 N ATOM 0 H ARG A 10 9.028 8.860 -11.711 1.00 25.00 H new ATOM 0 HA ARG A 10 11.645 9.951 -12.418 1.00 25.00 H new ATOM 0 HB2 ARG A 10 10.440 9.914 -10.126 1.00 25.00 H new ATOM 0 HB3 ARG A 10 10.878 8.219 -10.045 1.00 25.00 H new ATOM 0 HG2 ARG A 10 13.287 8.840 -10.335 1.00 25.00 H new ATOM 0 HG3 ARG A 10 12.836 10.533 -10.381 1.00 25.00 H new ATOM 0 HD2 ARG A 10 11.685 10.098 -8.095 1.00 25.00 H new ATOM 0 HD3 ARG A 10 12.592 8.599 -8.065 1.00 25.00 H new ATOM 0 HE ARG A 10 14.472 10.628 -8.663 1.00 25.00 H new ATOM 0 HH11 ARG A 10 15.779 11.597 -7.085 1.00 25.00 H new ATOM 0 HH12 ARG A 10 15.291 11.556 -5.388 1.00 25.00 H new ATOM 0 HH21 ARG A 10 12.340 9.985 -5.854 1.00 25.00 H new ATOM 0 HH22 ARG A 10 13.512 10.716 -4.753 1.00 25.00 H new ATOM 156 N ALA A 11 11.103 6.914 -13.019 1.00 25.00 N ATOM 157 CA ALA A 11 11.680 5.724 -13.633 1.00 25.00 C ATOM 158 C ALA A 11 12.110 6.094 -15.035 1.00 25.00 C ATOM 159 O ALA A 11 12.997 5.397 -15.539 1.00 25.00 O ATOM 160 CB ALA A 11 10.617 4.527 -13.573 1.00 25.00 C ATOM 0 H ALA A 11 10.084 6.906 -12.977 1.00 25.00 H new ATOM 0 HA ALA A 11 12.561 5.367 -13.100 1.00 25.00 H new ATOM 0 HB1 ALA A 11 11.046 3.636 -14.032 1.00 25.00 H new ATOM 0 HB2 ALA A 11 10.366 4.315 -12.534 1.00 25.00 H new ATOM 0 HB3 ALA A 11 9.715 4.814 -14.113 1.00 25.00 H new ATOM 166 N ALA A 12 11.487 7.036 -15.738 1.00 25.00 N ATOM 167 CA ALA A 12 11.917 7.430 -17.054 1.00 25.00 C ATOM 168 C ALA A 12 13.230 8.176 -16.958 1.00 25.00 C ATOM 169 O ALA A 12 14.111 8.160 -17.922 1.00 25.00 O ATOM 170 CB ALA A 12 10.890 8.327 -17.740 1.00 25.00 C ATOM 0 H ALA A 12 10.669 7.542 -15.400 1.00 25.00 H new ATOM 0 HA ALA A 12 12.034 6.523 -17.648 1.00 25.00 H new ATOM 0 HB1 ALA A 12 11.252 8.603 -18.731 1.00 25.00 H new ATOM 0 HB2 ALA A 12 9.945 7.792 -17.835 1.00 25.00 H new ATOM 0 HB3 ALA A 12 10.739 9.228 -17.145 1.00 25.00 H new ATOM 176 N LEU A 13 13.484 8.761 -15.824 1.00 25.00 N ATOM 177 CA LEU A 13 14.735 9.545 -15.667 1.00 25.00 C ATOM 178 C LEU A 13 15.894 8.620 -15.411 1.00 25.00 C ATOM 179 O LEU A 13 17.033 9.071 -15.428 1.00 25.00 O ATOM 180 CB LEU A 13 14.656 10.496 -14.421 1.00 25.00 C ATOM 181 CG LEU A 13 13.650 11.667 -14.486 1.00 25.00 C ATOM 182 CD1 LEU A 13 13.625 12.263 -13.157 1.00 75.00 C ATOM 183 CD2 LEU A 13 14.018 12.796 -15.431 1.00 75.00 C ATOM 0 H LEU A 13 12.881 8.730 -15.002 1.00 25.00 H new ATOM 0 HA LEU A 13 14.866 10.119 -16.584 1.00 25.00 H new ATOM 0 HB2 LEU A 13 14.412 9.890 -13.549 1.00 25.00 H new ATOM 0 HB3 LEU A 13 15.649 10.913 -14.252 1.00 25.00 H new ATOM 0 HG LEU A 13 12.711 11.243 -14.841 1.00 25.00 H new ATOM 0 HD11 LEU A 13 12.927 13.100 -13.147 1.00 75.00 H new ATOM 0 HD12 LEU A 13 13.308 11.516 -12.429 1.00 75.00 H new ATOM 0 HD13 LEU A 13 14.622 12.620 -12.899 1.00 75.00 H new ATOM 0 HD21 LEU A 13 13.245 13.564 -15.399 1.00 75.00 H new ATOM 0 HD22 LEU A 13 14.972 13.228 -15.128 1.00 75.00 H new ATOM 0 HD23 LEU A 13 14.102 12.408 -16.446 1.00 75.00 H new ATOM 398 N MET A 29 14.101 5.536 -4.312 1.00 25.00 N ATOM 399 CA MET A 29 12.847 4.869 -4.711 1.00 25.00 C ATOM 400 C MET A 29 12.401 3.547 -4.125 1.00 25.00 C ATOM 401 O MET A 29 11.383 2.886 -4.525 1.00 25.00 O ATOM 402 CB MET A 29 12.976 4.605 -6.241 1.00 25.00 C ATOM 403 CG MET A 29 14.079 3.585 -6.586 1.00 25.00 C ATOM 404 SD MET A 29 14.620 3.439 -8.385 1.00 25.00 S ATOM 405 CE MET A 29 13.218 2.594 -9.215 1.00 25.00 C ATOM 0 HA MET A 29 12.098 5.563 -4.330 1.00 25.00 H new ATOM 0 HB2 MET A 29 12.022 4.243 -6.623 1.00 25.00 H new ATOM 0 HB3 MET A 29 13.187 5.546 -6.750 1.00 25.00 H new ATOM 0 HG2 MET A 29 14.959 3.832 -5.992 1.00 25.00 H new ATOM 0 HG3 MET A 29 13.739 2.602 -6.259 1.00 25.00 H new ATOM 0 HE1 MET A 29 13.446 2.465 -10.273 1.00 25.00 H new ATOM 0 HE2 MET A 29 13.059 1.618 -8.757 1.00 25.00 H new ATOM 0 HE3 MET A 29 12.316 3.196 -9.109 1.00 25.00 H new ATOM 415 N TYR A 30 13.085 3.140 -3.082 1.00 25.00 N ATOM 416 CA TYR A 30 12.818 1.852 -2.400 1.00 25.00 C ATOM 417 C TYR A 30 11.356 1.709 -1.881 1.00 25.00 C ATOM 418 O TYR A 30 10.666 0.722 -2.188 1.00 25.00 O ATOM 419 CB TYR A 30 13.783 1.661 -1.270 1.00 25.00 C ATOM 420 CG TYR A 30 13.596 0.382 -0.474 1.00 25.00 C ATOM 421 CD1 TYR A 30 13.937 -0.919 -1.029 1.00 50.00 C ATOM 422 CD2 TYR A 30 13.189 0.379 0.825 1.00 50.00 C ATOM 423 CE1 TYR A 30 13.804 -2.125 -0.304 1.00 25.00 C ATOM 424 CE2 TYR A 30 12.859 -0.799 1.500 1.00 25.00 C ATOM 425 CZ TYR A 30 13.244 -2.053 0.944 1.00 25.00 C ATOM 426 OH TYR A 30 12.923 -3.185 1.596 1.00 25.00 O ATOM 0 H TYR A 30 13.846 3.677 -2.666 1.00 25.00 H new ATOM 0 HA TYR A 30 12.955 1.074 -3.151 1.00 25.00 H new ATOM 0 HB2 TYR A 30 14.796 1.676 -1.671 1.00 25.00 H new ATOM 0 HB3 TYR A 30 13.696 2.509 -0.591 1.00 25.00 H new ATOM 0 HD1 TYR A 30 14.309 -0.965 -2.042 1.00 50.00 H new ATOM 0 HD2 TYR A 30 13.119 1.319 1.352 1.00 50.00 H new ATOM 0 HE1 TYR A 30 14.131 -3.067 -0.718 1.00 25.00 H new ATOM 0 HE2 TYR A 30 12.318 -0.759 2.434 1.00 25.00 H new ATOM 0 HH TYR A 30 12.537 -2.962 2.469 1.00 25.00 H new ATOM 436 N GLU A 31 10.874 2.736 -1.203 1.00 25.00 N ATOM 437 CA GLU A 31 9.501 2.748 -0.699 1.00 25.00 C ATOM 438 C GLU A 31 8.752 4.075 -0.570 1.00 25.00 C ATOM 439 O GLU A 31 8.121 4.385 0.439 1.00 25.00 O ATOM 440 CB GLU A 31 9.478 2.013 0.665 1.00 25.00 C ATOM 441 CG GLU A 31 10.318 2.621 1.810 1.00 25.00 C ATOM 442 CD GLU A 31 10.334 1.666 3.024 1.00 25.00 C ATOM 443 OE1 GLU A 31 11.481 1.174 3.350 1.00 25.00 O ATOM 444 OE2 GLU A 31 9.326 1.458 3.641 1.00 25.00 O1- ATOM 0 H GLU A 31 11.410 3.576 -0.986 1.00 25.00 H new ATOM 0 HA GLU A 31 8.944 2.254 -1.495 1.00 25.00 H new ATOM 0 HB2 GLU A 31 8.442 1.955 1.000 1.00 25.00 H new ATOM 0 HB3 GLU A 31 9.818 0.990 0.503 1.00 25.00 H new ATOM 0 HG2 GLU A 31 11.337 2.802 1.467 1.00 25.00 H new ATOM 0 HG3 GLU A 31 9.904 3.586 2.102 1.00 25.00 H new ATOM 451 N PRO A 32 8.833 4.964 -1.607 1.00 25.00 N ATOM 452 CA PRO A 32 8.349 6.320 -1.306 1.00 25.00 C ATOM 453 C PRO A 32 6.823 6.471 -1.342 1.00 25.00 C ATOM 454 O PRO A 32 6.305 7.495 -0.793 1.00 25.00 O ATOM 455 CB PRO A 32 9.030 7.145 -2.359 1.00 25.00 C ATOM 456 CG PRO A 32 9.032 6.299 -3.465 1.00 25.00 C ATOM 457 CD PRO A 32 9.431 4.930 -2.916 1.00 25.00 C ATOM 0 HA PRO A 32 8.582 6.621 -0.285 1.00 25.00 H new ATOM 0 HB2 PRO A 32 8.490 8.070 -2.559 1.00 25.00 H new ATOM 0 HB3 PRO A 32 10.041 7.424 -2.062 1.00 25.00 H new ATOM 0 HG2 PRO A 32 8.050 6.264 -3.937 1.00 25.00 H new ATOM 0 HG3 PRO A 32 9.737 6.641 -4.222 1.00 25.00 H new ATOM 0 HD2 PRO A 32 9.041 4.114 -3.525 1.00 25.00 H new ATOM 0 HD3 PRO A 32 10.513 4.805 -2.870 1.00 25.00 H new ATOM 465 N GLN A 33 6.118 5.554 -1.945 1.00 25.00 N ATOM 466 CA GLN A 33 4.682 5.497 -1.852 1.00 25.00 C ATOM 467 C GLN A 33 4.214 4.596 -0.722 1.00 25.00 C ATOM 468 O GLN A 33 3.015 4.418 -0.622 1.00 25.00 O ATOM 469 CB GLN A 33 4.089 5.055 -3.186 1.00 25.00 C ATOM 470 CG GLN A 33 3.910 6.207 -4.175 1.00 25.00 C ATOM 471 CD GLN A 33 5.192 6.600 -4.843 1.00 25.00 C ATOM 472 OE1 GLN A 33 5.721 7.637 -4.519 1.00 25.00 O ATOM 473 NE2 GLN A 33 5.586 5.850 -5.856 1.00 25.00 N ATOM 0 H GLN A 33 6.526 4.818 -2.521 1.00 25.00 H new ATOM 0 HA GLN A 33 4.325 6.500 -1.620 1.00 25.00 H new ATOM 0 HB2 GLN A 33 4.736 4.299 -3.631 1.00 25.00 H new ATOM 0 HB3 GLN A 33 3.123 4.583 -3.008 1.00 25.00 H new ATOM 0 HG2 GLN A 33 3.183 5.919 -4.934 1.00 25.00 H new ATOM 0 HG3 GLN A 33 3.499 7.070 -3.651 1.00 25.00 H new ATOM 0 HE21 GLN A 33 5.091 4.985 -6.073 1.00 25.00 H new ATOM 0 HE22 GLN A 33 6.385 6.136 -6.422 1.00 25.00 H new ATOM 482 N SER A 34 5.138 4.079 0.098 1.00 25.00 N ATOM 483 CA SER A 34 4.746 3.193 1.186 1.00 25.00 C ATOM 484 C SER A 34 5.137 3.761 2.537 1.00 25.00 C ATOM 485 O SER A 34 5.149 3.033 3.502 1.00 25.00 O ATOM 486 CB SER A 34 5.416 1.840 0.876 1.00 25.00 C ATOM 487 OG SER A 34 4.978 0.807 1.730 1.00 25.00 O ATOM 0 H SER A 34 6.140 4.257 0.027 1.00 25.00 H new ATOM 0 HA SER A 34 3.664 3.075 1.250 1.00 25.00 H new ATOM 0 HB2 SER A 34 5.207 1.564 -0.158 1.00 25.00 H new ATOM 0 HB3 SER A 34 6.497 1.946 0.965 1.00 25.00 H new ATOM 0 HG SER A 34 4.856 1.161 2.636 1.00 25.00 H new ATOM 493 N LEU A 35 5.434 5.053 2.572 1.00 25.00 N ATOM 494 CA LEU A 35 5.874 5.805 3.747 1.00 25.00 C ATOM 495 C LEU A 35 4.688 5.997 4.660 1.00 25.00 C ATOM 496 O LEU A 35 3.650 6.483 4.229 1.00 25.00 O ATOM 497 CB LEU A 35 6.438 7.201 3.358 1.00 25.00 C ATOM 498 CG LEU A 35 7.853 7.286 2.752 1.00 25.00 C ATOM 499 CD1 LEU A 35 7.964 8.690 2.261 1.00 50.00 C ATOM 500 CD2 LEU A 35 8.941 6.904 3.738 1.00 50.00 C ATOM 0 H LEU A 35 5.372 5.639 1.739 1.00 25.00 H new ATOM 0 HA LEU A 35 6.669 5.244 4.239 1.00 25.00 H new ATOM 0 HB2 LEU A 35 5.746 7.650 2.646 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.424 7.824 4.252 1.00 25.00 H new ATOM 0 HG LEU A 35 7.996 6.568 1.944 1.00 25.00 H new ATOM 0 HD11 LEU A 35 8.945 8.842 1.811 1.00 50.00 H new ATOM 0 HD12 LEU A 35 7.191 8.877 1.516 1.00 50.00 H new ATOM 0 HD13 LEU A 35 7.837 9.379 3.096 1.00 50.00 H new ATOM 0 HD21 LEU A 35 9.915 6.983 3.254 1.00 50.00 H new ATOM 0 HD22 LEU A 35 8.907 7.575 4.596 1.00 50.00 H new ATOM 0 HD23 LEU A 35 8.785 5.879 4.073 1.00 50.00 H new ATOM 512 N GLU A 36 4.736 5.614 5.904 1.00 25.00 N ATOM 513 CA GLU A 36 3.653 5.877 6.819 1.00 25.00 C ATOM 514 C GLU A 36 4.118 6.553 8.072 1.00 25.00 C ATOM 515 O GLU A 36 5.280 6.510 8.412 1.00 25.00 O ATOM 516 CB GLU A 36 3.076 4.532 7.251 1.00 25.00 C ATOM 517 CG GLU A 36 2.359 3.681 6.140 1.00 25.00 C ATOM 518 CD GLU A 36 1.810 2.395 6.815 1.00 25.00 C ATOM 519 OE1 GLU A 36 0.568 2.262 7.071 1.00 25.00 O ATOM 520 OE2 GLU A 36 2.581 1.483 7.139 1.00 25.00 O1- ATOM 0 H GLU A 36 5.523 5.112 6.315 1.00 25.00 H new ATOM 0 HA GLU A 36 2.935 6.520 6.310 1.00 25.00 H new ATOM 0 HB2 GLU A 36 3.885 3.933 7.669 1.00 25.00 H new ATOM 0 HB3 GLU A 36 2.363 4.710 8.056 1.00 25.00 H new ATOM 0 HG2 GLU A 36 1.549 4.250 5.685 1.00 25.00 H new ATOM 0 HG3 GLU A 36 3.057 3.427 5.342 1.00 25.00 H new ATOM 527 N ALA A 37 3.139 7.081 8.768 1.00 25.00 N ATOM 528 CA ALA A 37 3.312 7.599 10.121 1.00 25.00 C ATOM 529 C ALA A 37 2.073 7.363 10.984 1.00 25.00 C ATOM 530 O ALA A 37 0.932 7.373 10.491 1.00 25.00 O ATOM 531 CB ALA A 37 3.618 9.148 10.040 1.00 25.00 C ATOM 0 H ALA A 37 2.186 7.168 8.414 1.00 25.00 H new ATOM 0 HA ALA A 37 4.142 7.069 10.588 1.00 25.00 H new ATOM 0 HB1 ALA A 37 3.749 9.546 11.046 1.00 25.00 H new ATOM 0 HB2 ALA A 37 4.529 9.309 9.464 1.00 25.00 H new ATOM 0 HB3 ALA A 37 2.787 9.658 9.554 1.00 25.00 H new ATOM 537 N LYS A 38 2.208 6.978 12.259 1.00 25.00 N ATOM 538 CA LYS A 38 1.058 6.719 13.085 1.00 25.00 C ATOM 539 C LYS A 38 0.154 7.942 13.231 1.00 25.00 C ATOM 540 O LYS A 38 0.629 9.071 13.463 1.00 25.00 O ATOM 541 CB LYS A 38 1.508 6.192 14.440 1.00 25.00 C ATOM 542 CG LYS A 38 0.372 5.575 15.240 1.00 25.00 C ATOM 543 CD LYS A 38 0.903 4.987 16.541 1.00 25.00 C ATOM 544 CE LYS A 38 -0.235 4.358 17.394 1.00 25.00 C ATOM 545 NZ LYS A 38 0.243 3.630 18.611 1.00 25.00 N1+ ATOM 0 H LYS A 38 3.105 6.844 12.725 1.00 25.00 H new ATOM 0 HA LYS A 38 0.454 5.958 12.591 1.00 25.00 H new ATOM 0 HB2 LYS A 38 2.289 5.446 14.293 1.00 25.00 H new ATOM 0 HB3 LYS A 38 1.949 7.007 15.013 1.00 25.00 H new ATOM 0 HG2 LYS A 38 -0.383 6.331 15.456 1.00 25.00 H new ATOM 0 HG3 LYS A 38 -0.115 4.797 14.653 1.00 25.00 H new ATOM 0 HD2 LYS A 38 1.653 4.228 16.318 1.00 25.00 H new ATOM 0 HD3 LYS A 38 1.401 5.767 17.117 1.00 25.00 H new ATOM 0 HE2 LYS A 38 -0.922 5.147 17.702 1.00 25.00 H new ATOM 0 HE3 LYS A 38 -0.802 3.667 16.770 1.00 25.00 H new ATOM 0 HZ1 LYS A 38 -0.573 3.240 19.125 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 0.875 2.855 18.326 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 0.759 4.288 19.229 1.00 25.00 H new ATOM 559 N LYS A 39 -1.171 7.833 13.165 1.00 25.00 N ATOM 560 CA LYS A 39 -2.070 8.933 13.331 1.00 25.00 C ATOM 561 C LYS A 39 -1.931 9.281 14.810 1.00 25.00 C ATOM 562 O LYS A 39 -1.363 8.531 15.569 1.00 25.00 O ATOM 563 CB LYS A 39 -3.484 8.550 13.006 1.00 25.00 C ATOM 564 CG LYS A 39 -3.799 8.212 11.495 1.00 25.00 C ATOM 565 CD LYS A 39 -5.086 7.420 11.384 1.00 25.00 C ATOM 566 CE LYS A 39 -6.351 8.148 11.857 1.00 25.00 C ATOM 567 NZ LYS A 39 -7.566 7.283 11.729 1.00 25.00 N1+ ATOM 0 H LYS A 39 -1.644 6.947 12.989 1.00 25.00 H new ATOM 0 HA LYS A 39 -1.837 9.765 12.666 1.00 25.00 H new ATOM 0 HB2 LYS A 39 -3.749 7.683 13.611 1.00 25.00 H new ATOM 0 HB3 LYS A 39 -4.137 9.366 13.315 1.00 25.00 H new ATOM 0 HG2 LYS A 39 -3.882 9.134 10.920 1.00 25.00 H new ATOM 0 HG3 LYS A 39 -2.976 7.641 11.065 1.00 25.00 H new ATOM 0 HD2 LYS A 39 -5.224 7.127 10.343 1.00 25.00 H new ATOM 0 HD3 LYS A 39 -4.978 6.502 11.962 1.00 25.00 H new ATOM 0 HE2 LYS A 39 -6.229 8.453 12.896 1.00 25.00 H new ATOM 0 HE3 LYS A 39 -6.488 9.058 11.272 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 -8.388 7.873 11.488 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 -7.413 6.579 10.979 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 -7.742 6.796 12.631 1.00 25.00 H new ATOM 781 N LEU A 57 9.890 21.899 9.046 1.00 25.00 N ATOM 782 CA LEU A 57 9.755 23.244 8.409 1.00 25.00 C ATOM 783 C LEU A 57 11.071 23.851 8.108 1.00 25.00 C ATOM 784 O LEU A 57 11.308 24.163 6.933 1.00 25.00 O ATOM 785 CB LEU A 57 8.828 24.263 9.131 1.00 25.00 C ATOM 786 CG LEU A 57 7.510 23.641 9.632 1.00 25.00 C ATOM 787 CD1 LEU A 57 6.716 24.674 10.453 1.00 50.00 C ATOM 788 CD2 LEU A 57 6.638 23.009 8.659 1.00 50.00 C ATOM 0 HA LEU A 57 9.235 23.020 7.477 1.00 25.00 H new ATOM 0 HB2 LEU A 57 9.363 24.694 9.977 1.00 25.00 H new ATOM 0 HB3 LEU A 57 8.599 25.082 8.449 1.00 25.00 H new ATOM 0 HG LEU A 57 7.853 22.803 10.239 1.00 25.00 H new ATOM 0 HD11 LEU A 57 5.786 24.224 10.802 1.00 50.00 H new ATOM 0 HD12 LEU A 57 7.310 24.992 11.310 1.00 50.00 H new ATOM 0 HD13 LEU A 57 6.489 25.538 9.829 1.00 50.00 H new ATOM 0 HD21 LEU A 57 5.753 22.620 9.162 1.00 50.00 H new ATOM 0 HD22 LEU A 57 6.337 23.742 7.910 1.00 50.00 H new ATOM 0 HD23 LEU A 57 7.168 22.190 8.173 1.00 50.00 H new ATOM 800 N PHE A 58 11.834 24.144 9.100 1.00 25.00 N ATOM 801 CA PHE A 58 13.156 24.749 8.875 1.00 25.00 C ATOM 802 C PHE A 58 14.059 23.711 8.224 1.00 25.00 C ATOM 803 O PHE A 58 15.005 24.072 7.487 1.00 25.00 O ATOM 804 CB PHE A 58 13.743 25.204 10.199 1.00 25.00 C ATOM 805 CG PHE A 58 13.051 26.337 10.818 1.00 25.00 C ATOM 806 CD1 PHE A 58 12.977 26.384 12.189 1.00 50.00 C ATOM 807 CD2 PHE A 58 12.582 27.418 10.042 1.00 50.00 C ATOM 808 CE1 PHE A 58 12.414 27.495 12.883 1.00 25.00 C ATOM 809 CE2 PHE A 58 11.827 28.522 10.698 1.00 25.00 C ATOM 810 CZ PHE A 58 11.756 28.514 12.089 1.00 25.00 C ATOM 0 H PHE A 58 11.594 23.987 10.079 1.00 25.00 H new ATOM 0 HA PHE A 58 13.067 25.617 8.222 1.00 25.00 H new ATOM 0 HB2 PHE A 58 13.731 24.364 10.894 1.00 25.00 H new ATOM 0 HB3 PHE A 58 14.788 25.474 10.044 1.00 25.00 H new ATOM 0 HD1 PHE A 58 13.358 25.551 12.761 1.00 50.00 H new ATOM 0 HD2 PHE A 58 12.769 27.445 8.979 1.00 50.00 H new ATOM 0 HE1 PHE A 58 12.475 27.574 13.958 1.00 25.00 H new ATOM 0 HE2 PHE A 58 11.353 29.299 10.117 1.00 25.00 H new ATOM 0 HZ PHE A 58 11.195 29.289 12.590 1.00 25.00 H new ATOM 820 N GLY A 59 13.764 22.424 8.384 1.00 25.00 N ATOM 821 CA GLY A 59 14.407 21.436 7.561 1.00 25.00 C ATOM 822 C GLY A 59 14.194 21.570 6.084 1.00 25.00 C ATOM 823 O GLY A 59 15.091 21.192 5.361 1.00 25.00 O ATOM 0 H GLY A 59 13.097 22.058 9.064 1.00 25.00 H new ATOM 0 HA2 GLY A 59 15.479 21.470 7.758 1.00 25.00 H new ATOM 0 HA3 GLY A 59 14.057 20.451 7.870 1.00 25.00 H new ATOM 827 N GLY A 60 13.076 22.177 5.676 1.00 25.00 N ATOM 828 CA GLY A 60 12.922 22.519 4.293 1.00 25.00 C ATOM 829 C GLY A 60 13.948 23.538 3.819 1.00 25.00 C ATOM 830 O GLY A 60 14.125 23.547 2.646 1.00 25.00 O ATOM 0 H GLY A 60 12.293 22.429 6.279 1.00 25.00 H new ATOM 0 HA2 GLY A 60 13.008 21.616 3.689 1.00 25.00 H new ATOM 0 HA3 GLY A 60 11.920 22.917 4.131 1.00 25.00 H new ATOM 834 N ILE A 61 14.605 24.345 4.615 1.00 25.00 N ATOM 835 CA ILE A 61 15.682 25.230 4.130 1.00 25.00 C ATOM 836 C ILE A 61 16.981 24.479 3.880 1.00 25.00 C ATOM 837 O ILE A 61 17.704 24.746 2.842 1.00 25.00 O ATOM 838 CB ILE A 61 15.834 26.380 5.146 1.00 25.00 C ATOM 839 CG1 ILE A 61 14.476 27.095 5.376 1.00 25.00 C ATOM 840 CG2 ILE A 61 17.008 27.332 4.776 1.00 25.00 C ATOM 841 CD1 ILE A 61 14.331 28.093 6.480 1.00 25.00 C ATOM 0 H ILE A 61 14.424 24.421 5.616 1.00 25.00 H new ATOM 0 HA ILE A 61 15.418 25.641 3.156 1.00 25.00 H new ATOM 0 HB ILE A 61 16.117 25.959 6.111 1.00 25.00 H new ATOM 0 HG12 ILE A 61 14.215 27.601 4.446 1.00 25.00 H new ATOM 0 HG13 ILE A 61 13.726 26.321 5.539 1.00 25.00 H new ATOM 0 HG21 ILE A 61 17.079 28.127 5.518 1.00 25.00 H new ATOM 0 HG22 ILE A 61 17.941 26.769 4.757 1.00 25.00 H new ATOM 0 HG23 ILE A 61 16.827 27.768 3.793 1.00 25.00 H new ATOM 0 HD11 ILE A 61 13.314 28.485 6.485 1.00 25.00 H new ATOM 0 HD12 ILE A 61 14.538 27.611 7.436 1.00 25.00 H new ATOM 0 HD13 ILE A 61 15.035 28.911 6.326 1.00 25.00 H new ATOM 853 N LEU A 62 17.185 23.480 4.734 1.00 25.00 N ATOM 854 CA LEU A 62 18.382 22.717 4.828 1.00 25.00 C ATOM 855 C LEU A 62 18.381 21.713 3.670 1.00 25.00 C ATOM 856 O LEU A 62 19.462 21.178 3.334 1.00 25.00 O ATOM 857 CB LEU A 62 18.349 21.937 6.140 1.00 25.00 C ATOM 858 CG LEU A 62 18.932 22.596 7.388 1.00 25.00 C ATOM 859 CD1 LEU A 62 18.488 24.020 7.769 1.00 75.00 C ATOM 860 CD2 LEU A 62 18.772 21.696 8.618 1.00 75.00 C ATOM 0 H LEU A 62 16.474 23.183 5.402 1.00 25.00 H new ATOM 0 HA LEU A 62 19.262 23.359 4.790 1.00 25.00 H new ATOM 0 HB2 LEU A 62 17.310 21.686 6.351 1.00 25.00 H new ATOM 0 HB3 LEU A 62 18.878 20.997 5.982 1.00 25.00 H new ATOM 0 HG LEU A 62 19.969 22.722 7.076 1.00 25.00 H new ATOM 0 HD11 LEU A 62 19.001 24.330 8.680 1.00 75.00 H new ATOM 0 HD12 LEU A 62 18.737 24.707 6.961 1.00 75.00 H new ATOM 0 HD13 LEU A 62 17.411 24.033 7.937 1.00 75.00 H new ATOM 0 HD21 LEU A 62 19.197 22.193 9.490 1.00 75.00 H new ATOM 0 HD22 LEU A 62 17.714 21.501 8.791 1.00 75.00 H new ATOM 0 HD23 LEU A 62 19.292 20.753 8.449 1.00 75.00 H new ATOM 872 N ASP A 63 17.193 21.450 3.073 1.00 25.00 N ATOM 873 CA ASP A 63 17.029 20.559 1.921 1.00 25.00 C ATOM 874 C ASP A 63 18.055 20.709 0.845 1.00 25.00 C ATOM 875 O ASP A 63 18.559 19.733 0.317 1.00 25.00 O ATOM 876 CB ASP A 63 15.719 21.017 1.331 1.00 25.00 C ATOM 877 CG ASP A 63 15.466 20.569 -0.106 1.00 25.00 C ATOM 878 OD1 ASP A 63 15.582 21.419 -1.000 1.00 50.00 O ATOM 879 OD2 ASP A 63 15.117 19.402 -0.364 1.00 50.00 O1- ATOM 0 H ASP A 63 16.315 21.862 3.390 1.00 25.00 H new ATOM 0 HA ASP A 63 17.101 19.524 2.254 1.00 25.00 H new ATOM 0 HB2 ASP A 63 14.907 20.649 1.958 1.00 25.00 H new ATOM 0 HB3 ASP A 63 15.682 22.106 1.368 1.00 25.00 H new ATOM 884 N GLN A 64 18.449 21.896 0.542 1.00 25.00 N ATOM 885 CA GLN A 64 19.281 22.198 -0.577 1.00 25.00 C ATOM 886 C GLN A 64 20.794 21.897 -0.414 1.00 25.00 C ATOM 887 O GLN A 64 21.636 22.153 -1.312 1.00 25.00 O ATOM 888 CB GLN A 64 19.185 23.688 -0.953 1.00 25.00 C ATOM 889 CG GLN A 64 17.795 24.289 -1.231 1.00 25.00 C ATOM 890 CD GLN A 64 17.883 25.769 -1.384 1.00 25.00 C ATOM 891 OE1 GLN A 64 18.678 26.300 -2.151 1.00 25.00 O ATOM 892 NE2 GLN A 64 16.957 26.485 -0.741 1.00 25.00 N ATOM 0 H GLN A 64 18.192 22.719 1.087 1.00 25.00 H new ATOM 0 HA GLN A 64 18.889 21.530 -1.344 1.00 25.00 H new ATOM 0 HB2 GLN A 64 19.639 24.263 -0.146 1.00 25.00 H new ATOM 0 HB3 GLN A 64 19.798 23.846 -1.841 1.00 25.00 H new ATOM 0 HG2 GLN A 64 17.377 23.849 -2.136 1.00 25.00 H new ATOM 0 HG3 GLN A 64 17.117 24.042 -0.414 1.00 25.00 H new ATOM 0 HE21 GLN A 64 16.305 26.023 -0.107 1.00 25.00 H new ATOM 0 HE22 GLN A 64 16.902 27.493 -0.884 1.00 25.00 H new ATOM 901 N GLN A 65 21.075 21.190 0.671 1.00 25.00 N ATOM 902 CA GLN A 65 22.365 20.696 1.109 1.00 25.00 C ATOM 903 C GLN A 65 22.198 19.362 1.863 1.00 25.00 C ATOM 904 O GLN A 65 22.624 19.293 3.042 1.00 25.00 O ATOM 905 CB GLN A 65 22.943 21.760 2.105 1.00 25.00 C ATOM 906 CG GLN A 65 23.208 23.100 1.578 1.00 25.00 C ATOM 907 CD GLN A 65 24.269 23.203 0.459 1.00 25.00 C ATOM 908 OE1 GLN A 65 25.297 22.557 0.525 1.00 25.00 O ATOM 909 NE2 GLN A 65 24.032 24.013 -0.537 1.00 25.00 N ATOM 0 H GLN A 65 20.337 20.926 1.323 1.00 25.00 H new ATOM 0 HA GLN A 65 23.021 20.536 0.253 1.00 25.00 H new ATOM 0 HB2 GLN A 65 22.246 21.857 2.937 1.00 25.00 H new ATOM 0 HB3 GLN A 65 23.874 21.368 2.514 1.00 25.00 H new ATOM 0 HG2 GLN A 65 22.271 23.509 1.199 1.00 25.00 H new ATOM 0 HG3 GLN A 65 23.522 23.736 2.406 1.00 25.00 H new ATOM 0 HE21 GLN A 65 23.161 24.543 -0.567 1.00 25.00 H new ATOM 0 HE22 GLN A 65 24.718 24.116 -1.285 1.00 25.00 H new ATOM 918 N SER A 66 21.446 18.426 1.347 1.00 25.00 N ATOM 919 CA SER A 66 21.052 17.302 2.181 1.00 25.00 C ATOM 920 C SER A 66 20.930 15.899 1.548 1.00 25.00 C ATOM 921 O SER A 66 20.616 15.853 0.357 1.00 25.00 O ATOM 922 CB SER A 66 19.708 17.729 2.814 1.00 25.00 C ATOM 923 OG SER A 66 19.217 16.810 3.702 1.00 25.00 O ATOM 0 H SER A 66 21.099 18.409 0.388 1.00 25.00 H new ATOM 0 HA SER A 66 21.873 17.132 2.877 1.00 25.00 H new ATOM 0 HB2 SER A 66 19.840 18.683 3.324 1.00 25.00 H new ATOM 0 HB3 SER A 66 18.975 17.889 2.023 1.00 25.00 H new ATOM 0 HG SER A 66 18.459 17.197 4.188 1.00 25.00 H new ATOM 929 N GLU A 67 20.939 14.791 2.279 1.00 25.00 N ATOM 930 CA GLU A 67 20.592 13.461 1.717 1.00 25.00 C ATOM 931 C GLU A 67 19.100 13.443 1.369 1.00 25.00 C ATOM 932 O GLU A 67 18.633 12.696 0.495 1.00 25.00 O ATOM 933 CB GLU A 67 20.977 12.346 2.717 1.00 25.00 C ATOM 934 CG GLU A 67 22.434 12.051 2.797 1.00 25.00 C ATOM 935 CD GLU A 67 22.780 10.856 3.674 1.00 25.00 C ATOM 936 OE1 GLU A 67 22.588 9.697 3.244 1.00 25.00 O ATOM 937 OE2 GLU A 67 23.190 11.091 4.850 1.00 25.00 O1- ATOM 0 H GLU A 67 21.182 14.772 3.269 1.00 25.00 H new ATOM 0 HA GLU A 67 21.155 13.274 0.802 1.00 25.00 H new ATOM 0 HB2 GLU A 67 20.624 12.629 3.708 1.00 25.00 H new ATOM 0 HB3 GLU A 67 20.451 11.432 2.440 1.00 25.00 H new ATOM 0 HG2 GLU A 67 22.813 11.871 1.791 1.00 25.00 H new ATOM 0 HG3 GLU A 67 22.951 12.931 3.180 1.00 25.00 H new ATOM 944 N ASN A 68 18.393 14.393 1.941 1.00 25.00 N ATOM 945 CA ASN A 68 16.948 14.581 1.768 1.00 25.00 C ATOM 946 C ASN A 68 16.747 15.663 0.657 1.00 25.00 C ATOM 947 O ASN A 68 15.874 16.488 0.810 1.00 25.00 O ATOM 948 CB ASN A 68 16.355 15.090 3.070 1.00 25.00 C ATOM 949 CG ASN A 68 16.455 14.081 4.189 1.00 25.00 C ATOM 950 OD1 ASN A 68 16.084 12.959 3.959 1.00 25.00 O ATOM 951 ND2 ASN A 68 16.924 14.469 5.333 1.00 25.00 N ATOM 0 H ASN A 68 18.812 15.085 2.562 1.00 25.00 H new ATOM 0 HA ASN A 68 16.463 13.645 1.492 1.00 25.00 H new ATOM 0 HB2 ASN A 68 16.868 16.006 3.365 1.00 25.00 H new ATOM 0 HB3 ASN A 68 15.308 15.348 2.911 1.00 25.00 H new ATOM 0 HD21 ASN A 68 16.996 13.807 6.106 1.00 25.00 H new ATOM 0 HD22 ASN A 68 17.221 15.436 5.461 1.00 25.00 H new ATOM 958 N ARG A 69 17.713 15.799 -0.246 1.00 25.00 N ATOM 959 CA ARG A 69 17.692 16.742 -1.406 1.00 25.00 C ATOM 960 C ARG A 69 16.819 16.177 -2.542 1.00 25.00 C ATOM 961 O ARG A 69 17.266 15.672 -3.528 1.00 25.00 O ATOM 962 CB ARG A 69 19.008 17.306 -1.832 1.00 25.00 C ATOM 963 CG ARG A 69 18.882 18.548 -2.751 1.00 25.00 C ATOM 964 CD ARG A 69 20.216 19.146 -3.097 1.00 25.00 C ATOM 965 NE ARG A 69 20.994 18.276 -3.988 1.00 25.00 N ATOM 966 CZ ARG A 69 22.049 18.596 -4.725 1.00 25.00 C ATOM 967 NH1 ARG A 69 22.485 19.824 -4.863 1.00 25.00 N1+ ATOM 968 NH2 ARG A 69 22.569 17.644 -5.456 1.00 25.00 N ATOM 0 H ARG A 69 18.569 15.246 -0.207 1.00 25.00 H new ATOM 0 HA ARG A 69 17.211 17.651 -1.044 1.00 25.00 H new ATOM 0 HB2 ARG A 69 19.582 17.577 -0.946 1.00 25.00 H new ATOM 0 HB3 ARG A 69 19.573 16.534 -2.354 1.00 25.00 H new ATOM 0 HG2 ARG A 69 18.365 18.266 -3.668 1.00 25.00 H new ATOM 0 HG3 ARG A 69 18.267 19.301 -2.257 1.00 25.00 H new ATOM 0 HD2 ARG A 69 20.066 20.114 -3.575 1.00 25.00 H new ATOM 0 HD3 ARG A 69 20.781 19.326 -2.182 1.00 25.00 H new ATOM 0 HE ARG A 69 20.685 17.306 -4.047 1.00 25.00 H new ATOM 0 HH11 ARG A 69 22.007 20.591 -4.390 1.00 25.00 H new ATOM 0 HH12 ARG A 69 23.302 20.013 -5.443 1.00 25.00 H new ATOM 0 HH21 ARG A 69 22.162 16.709 -5.441 1.00 25.00 H new ATOM 0 HH22 ARG A 69 23.382 17.837 -6.042 1.00 25.00 H new ATOM 982 N TRP A 70 15.555 16.183 -2.109 1.00 25.00 N ATOM 983 CA TRP A 70 14.425 15.619 -2.815 1.00 25.00 C ATOM 984 C TRP A 70 14.209 16.273 -4.096 1.00 25.00 C ATOM 985 O TRP A 70 14.420 17.491 -4.318 1.00 25.00 O ATOM 986 CB TRP A 70 13.227 15.715 -1.886 1.00 25.00 C ATOM 987 CG TRP A 70 13.313 14.828 -0.661 1.00 25.00 C ATOM 988 CD1 TRP A 70 14.075 13.686 -0.495 1.00 25.00 C ATOM 989 CD2 TRP A 70 12.475 14.898 0.518 1.00 25.00 C ATOM 990 NE1 TRP A 70 13.795 13.044 0.690 1.00 25.00 N ATOM 991 CE2 TRP A 70 12.920 13.818 1.403 1.00 25.00 C ATOM 992 CE3 TRP A 70 11.418 15.782 0.935 1.00 25.00 C ATOM 993 CZ2 TRP A 70 12.449 13.735 2.733 1.00 25.00 C ATOM 994 CZ3 TRP A 70 10.911 15.559 2.203 1.00 25.00 C ATOM 995 CH2 TRP A 70 11.463 14.615 3.141 1.00 25.00 C ATOM 0 H TRP A 70 15.291 16.602 -1.217 1.00 25.00 H new ATOM 0 HA TRP A 70 14.606 14.574 -3.068 1.00 25.00 H new ATOM 0 HB2 TRP A 70 13.115 16.750 -1.563 1.00 25.00 H new ATOM 0 HB3 TRP A 70 12.328 15.456 -2.445 1.00 25.00 H new ATOM 0 HD1 TRP A 70 14.805 13.338 -1.211 1.00 25.00 H new ATOM 0 HE1 TRP A 70 14.175 12.145 0.986 1.00 25.00 H new ATOM 0 HE3 TRP A 70 11.044 16.570 0.298 1.00 25.00 H new ATOM 0 HZ2 TRP A 70 12.850 13.001 3.416 1.00 25.00 H new ATOM 0 HZ3 TRP A 70 10.046 16.129 2.509 1.00 25.00 H new ATOM 0 HH2 TRP A 70 11.108 14.595 4.161 1.00 25.00 H new ATOM 1006 N PHE A 71 13.766 15.450 -5.040 1.00 25.00 N ATOM 1007 CA PHE A 71 13.778 15.883 -6.418 1.00 25.00 C ATOM 1008 C PHE A 71 12.656 16.835 -6.756 1.00 25.00 C ATOM 1009 O PHE A 71 11.572 16.679 -6.225 1.00 25.00 O ATOM 1010 CB PHE A 71 13.583 14.658 -7.325 1.00 25.00 C ATOM 1011 CG PHE A 71 12.230 13.989 -7.273 1.00 25.00 C ATOM 1012 CD1 PHE A 71 11.766 13.330 -6.102 1.00 50.00 C ATOM 1013 CD2 PHE A 71 11.499 13.889 -8.447 1.00 50.00 C ATOM 1014 CE1 PHE A 71 10.594 12.484 -6.130 1.00 25.00 C ATOM 1015 CE2 PHE A 71 10.317 13.003 -8.497 1.00 25.00 C ATOM 1016 CZ PHE A 71 9.906 12.361 -7.297 1.00 25.00 C ATOM 0 H PHE A 71 13.406 14.509 -4.878 1.00 25.00 H new ATOM 0 HA PHE A 71 14.731 16.389 -6.570 1.00 25.00 H new ATOM 0 HB2 PHE A 71 13.774 14.962 -8.354 1.00 25.00 H new ATOM 0 HB3 PHE A 71 14.340 13.918 -7.066 1.00 25.00 H new ATOM 0 HD1 PHE A 71 12.300 13.464 -5.173 1.00 50.00 H new ATOM 0 HD2 PHE A 71 11.791 14.455 -9.319 1.00 50.00 H new ATOM 0 HE1 PHE A 71 10.271 11.960 -5.242 1.00 25.00 H new ATOM 0 HE2 PHE A 71 9.780 12.847 -9.421 1.00 25.00 H new ATOM 0 HZ PHE A 71 9.014 11.753 -7.313 1.00 25.00 H new ATOM 1026 N LYS A 72 12.902 17.820 -7.635 1.00 25.00 N ATOM 1027 CA LYS A 72 11.846 18.712 -8.079 1.00 25.00 C ATOM 1028 C LYS A 72 11.448 18.431 -9.496 1.00 25.00 C ATOM 1029 O LYS A 72 12.219 17.720 -10.207 1.00 25.00 O ATOM 1030 CB LYS A 72 12.367 20.177 -8.000 1.00 25.00 C ATOM 1031 CG LYS A 72 12.769 20.664 -6.635 1.00 25.00 C ATOM 1032 CD LYS A 72 12.996 22.210 -6.665 1.00 25.00 C ATOM 1033 CE LYS A 72 13.676 22.688 -5.419 1.00 25.00 C ATOM 1034 NZ LYS A 72 13.157 22.461 -4.048 1.00 25.00 N1+ ATOM 0 H LYS A 72 13.818 18.009 -8.043 1.00 25.00 H new ATOM 0 HA LYS A 72 10.978 18.560 -7.437 1.00 25.00 H new ATOM 0 HB2 LYS A 72 13.226 20.272 -8.665 1.00 25.00 H new ATOM 0 HB3 LYS A 72 11.591 20.838 -8.385 1.00 25.00 H new ATOM 0 HG2 LYS A 72 11.995 20.416 -5.909 1.00 25.00 H new ATOM 0 HG3 LYS A 72 13.681 20.160 -6.314 1.00 25.00 H new ATOM 0 HD2 LYS A 72 13.599 22.474 -7.534 1.00 25.00 H new ATOM 0 HD3 LYS A 72 12.038 22.718 -6.776 1.00 25.00 H new ATOM 0 HE2 LYS A 72 14.679 22.262 -5.438 1.00 25.00 H new ATOM 0 HE3 LYS A 72 13.785 23.767 -5.528 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 13.522 23.198 -3.412 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 12.118 22.498 -4.060 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 13.467 21.528 -3.710 1.00 25.00 H new ATOM 1048 N HIS A 73 10.334 18.928 -9.984 1.00 25.00 N ATOM 1049 CA HIS A 73 9.891 18.843 -11.356 1.00 25.00 C ATOM 1050 C HIS A 73 9.568 20.235 -11.799 1.00 25.00 C ATOM 1051 O HIS A 73 8.848 20.936 -11.085 1.00 25.00 O ATOM 1052 CB HIS A 73 8.670 17.994 -11.467 1.00 25.00 C ATOM 1053 CG HIS A 73 8.944 16.587 -11.838 1.00 25.00 C ATOM 1054 ND1 HIS A 73 9.144 15.528 -10.972 1.00 25.00 N ATOM 1055 CD2 HIS A 73 9.149 16.069 -13.051 1.00 25.00 C ATOM 1056 CE1 HIS A 73 9.371 14.388 -11.663 1.00 25.00 C ATOM 1057 NE2 HIS A 73 9.444 14.716 -12.910 1.00 25.00 N ATOM 0 H HIS A 73 9.672 19.434 -9.396 1.00 25.00 H new ATOM 0 HA HIS A 73 10.668 18.395 -11.975 1.00 25.00 H new ATOM 0 HB2 HIS A 73 8.141 18.011 -10.514 1.00 25.00 H new ATOM 0 HB3 HIS A 73 8.003 18.431 -12.210 1.00 25.00 H new ATOM 0 HD2 HIS A 73 9.095 16.609 -13.985 1.00 25.00 H new ATOM 0 HE1 HIS A 73 9.472 13.395 -11.251 1.00 25.00 H new ATOM 0 HE2 HIS A 73 9.681 14.082 -13.673 1.00 25.00 H new ATOM 1065 N ILE A 74 10.221 20.651 -12.830 1.00 25.00 N ATOM 1066 CA ILE A 74 10.038 22.003 -13.331 1.00 25.00 C ATOM 1067 C ILE A 74 8.819 21.893 -14.200 1.00 25.00 C ATOM 1068 O ILE A 74 8.697 21.005 -15.046 1.00 25.00 O ATOM 1069 CB ILE A 74 11.211 22.520 -14.143 1.00 25.00 C ATOM 1070 CG1 ILE A 74 12.454 22.641 -13.240 1.00 25.00 C ATOM 1071 CG2 ILE A 74 10.973 23.954 -14.855 1.00 25.00 C ATOM 1072 CD1 ILE A 74 13.776 22.796 -13.995 1.00 25.00 C ATOM 0 H ILE A 74 10.890 20.087 -13.354 1.00 25.00 H new ATOM 0 HA ILE A 74 9.945 22.712 -12.508 1.00 25.00 H new ATOM 0 HB ILE A 74 11.344 21.789 -14.941 1.00 25.00 H new ATOM 0 HG12 ILE A 74 12.325 23.498 -12.579 1.00 25.00 H new ATOM 0 HG13 ILE A 74 12.514 21.756 -12.606 1.00 25.00 H new ATOM 0 HG21 ILE A 74 11.867 24.237 -15.411 1.00 25.00 H new ATOM 0 HG22 ILE A 74 10.127 23.885 -15.539 1.00 25.00 H new ATOM 0 HG23 ILE A 74 10.764 24.707 -14.095 1.00 25.00 H new ATOM 0 HD11 ILE A 74 14.596 22.874 -13.281 1.00 25.00 H new ATOM 0 HD12 ILE A 74 13.934 21.928 -14.635 1.00 25.00 H new ATOM 0 HD13 ILE A 74 13.742 23.697 -14.608 1.00 25.00 H new ATOM 1084 N MET A 75 7.840 22.716 -13.974 1.00 25.00 N ATOM 1085 CA MET A 75 6.597 22.808 -14.802 1.00 25.00 C ATOM 1086 C MET A 75 6.322 24.321 -14.944 1.00 25.00 C ATOM 1087 O MET A 75 6.653 25.176 -14.167 1.00 25.00 O ATOM 1088 CB MET A 75 5.475 22.187 -13.970 1.00 25.00 C ATOM 1089 CG MET A 75 5.549 20.692 -13.796 1.00 25.00 C ATOM 1090 SD MET A 75 4.045 20.222 -13.077 1.00 25.00 S ATOM 1091 CE MET A 75 3.144 19.605 -14.562 1.00 25.00 C ATOM 0 H MET A 75 7.849 23.375 -13.196 1.00 25.00 H new ATOM 0 HA MET A 75 6.675 22.315 -15.771 1.00 25.00 H new ATOM 0 HB2 MET A 75 5.478 22.651 -12.984 1.00 25.00 H new ATOM 0 HB3 MET A 75 4.521 22.435 -14.436 1.00 25.00 H new ATOM 0 HG2 MET A 75 5.696 20.194 -14.754 1.00 25.00 H new ATOM 0 HG3 MET A 75 6.390 20.414 -13.160 1.00 25.00 H new ATOM 0 HE1 MET A 75 2.151 19.263 -14.269 1.00 25.00 H new ATOM 0 HE2 MET A 75 3.050 20.410 -15.291 1.00 25.00 H new ATOM 0 HE3 MET A 75 3.697 18.777 -15.005 1.00 25.00 H new ATOM 1101 N THR A 76 5.593 24.603 -16.013 1.00 25.00 N ATOM 1102 CA THR A 76 5.130 25.973 -16.300 1.00 25.00 C ATOM 1103 C THR A 76 3.785 26.063 -15.658 1.00 25.00 C ATOM 1104 O THR A 76 3.221 25.020 -15.394 1.00 25.00 O ATOM 1105 CB THR A 76 4.989 26.254 -17.832 1.00 25.00 C ATOM 1106 OG1 THR A 76 4.042 25.293 -18.334 1.00 25.00 O ATOM 1107 CG2 THR A 76 6.293 26.144 -18.581 1.00 25.00 C ATOM 0 H THR A 76 5.304 23.909 -16.702 1.00 25.00 H new ATOM 0 HA THR A 76 5.847 26.703 -15.924 1.00 25.00 H new ATOM 0 HB THR A 76 4.657 27.281 -17.982 1.00 25.00 H new ATOM 0 HG1 THR A 76 4.035 25.322 -19.314 1.00 25.00 H new ATOM 0 HG21 THR A 76 6.124 26.351 -19.638 1.00 25.00 H new ATOM 0 HG22 THR A 76 7.005 26.865 -18.179 1.00 25.00 H new ATOM 0 HG23 THR A 76 6.694 25.137 -18.468 1.00 25.00 H new ATOM 1115 N GLY A 77 3.280 27.265 -15.526 1.00 25.00 N ATOM 1116 CA GLY A 77 1.892 27.442 -15.195 1.00 25.00 C ATOM 1117 C GLY A 77 0.916 27.108 -16.305 1.00 25.00 C ATOM 1118 O GLY A 77 1.385 26.967 -17.430 1.00 25.00 O ATOM 0 H GLY A 77 3.808 28.130 -15.642 1.00 25.00 H new ATOM 0 HA2 GLY A 77 1.659 26.821 -14.330 1.00 25.00 H new ATOM 0 HA3 GLY A 77 1.736 28.478 -14.895 1.00 25.00 H new ATOM 1122 N GLY A 78 -0.364 27.022 -15.949 1.00 25.00 N ATOM 1123 CA GLY A 78 -1.488 26.643 -16.802 1.00 25.00 C ATOM 1124 C GLY A 78 -2.169 25.503 -15.993 1.00 25.00 C ATOM 1125 O GLY A 78 -1.684 25.044 -14.957 1.00 25.00 O ATOM 0 H GLY A 78 -0.663 27.228 -14.996 1.00 25.00 H new ATOM 0 HA2 GLY A 78 -2.166 27.479 -16.971 1.00 25.00 H new ATOM 0 HA3 GLY A 78 -1.154 26.300 -17.781 1.00 25.00 H new ATOM 1129 N GLU A 79 -3.349 25.072 -16.438 1.00 25.00 N ATOM 1130 CA GLU A 79 -3.894 23.850 -15.865 1.00 25.00 C ATOM 1131 C GLU A 79 -2.984 22.637 -16.163 1.00 25.00 C ATOM 1132 O GLU A 79 -2.502 22.435 -17.264 1.00 25.00 O ATOM 1133 CB GLU A 79 -5.293 23.527 -16.374 1.00 25.00 C ATOM 1134 CG GLU A 79 -6.059 22.787 -15.367 1.00 25.00 C ATOM 1135 CD GLU A 79 -7.431 22.320 -15.825 1.00 25.00 C ATOM 1136 OE1 GLU A 79 -8.436 22.721 -15.291 1.00 25.00 O ATOM 1137 OE2 GLU A 79 -7.542 21.477 -16.736 1.00 25.00 O1- ATOM 0 H GLU A 79 -3.917 25.524 -17.154 1.00 25.00 H new ATOM 0 HA GLU A 79 -3.946 24.033 -14.792 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -5.814 24.450 -16.627 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -5.224 22.939 -17.289 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -5.480 21.917 -15.057 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -6.181 23.419 -14.487 1.00 25.00 H new ATOM 1144 N HIS A 80 -2.898 21.729 -15.248 1.00 25.00 N ATOM 1145 CA HIS A 80 -2.409 20.392 -15.520 1.00 25.00 C ATOM 1146 C HIS A 80 -3.282 19.455 -14.851 1.00 25.00 C ATOM 1147 O HIS A 80 -3.841 19.743 -13.806 1.00 25.00 O ATOM 1148 CB HIS A 80 -0.954 20.173 -15.026 1.00 25.00 C ATOM 1149 CG HIS A 80 0.045 21.183 -15.558 1.00 25.00 C ATOM 1150 ND1 HIS A 80 0.503 21.212 -16.880 1.00 25.00 N ATOM 1151 CD2 HIS A 80 0.650 22.273 -14.991 1.00 25.00 C ATOM 1152 CE1 HIS A 80 1.274 22.260 -17.064 1.00 25.00 C ATOM 1153 NE2 HIS A 80 1.349 22.926 -15.975 1.00 25.00 N ATOM 0 H HIS A 80 -3.165 21.883 -14.276 1.00 25.00 H new ATOM 0 HA HIS A 80 -2.404 20.244 -16.600 1.00 25.00 H new ATOM 0 HB2 HIS A 80 -0.943 20.208 -13.937 1.00 25.00 H new ATOM 0 HB3 HIS A 80 -0.631 19.173 -15.316 1.00 25.00 H new ATOM 0 HD2 HIS A 80 0.588 22.567 -13.954 1.00 25.00 H new ATOM 0 HE1 HIS A 80 1.767 22.518 -17.990 1.00 25.00 H new ATOM 0 HE2 HIS A 80 1.851 23.806 -15.856 1.00 25.00 H new ATOM 1161 N THR A 81 -3.469 18.288 -15.452 1.00 25.00 N ATOM 1162 CA THR A 81 -4.084 17.146 -14.849 1.00 25.00 C ATOM 1163 C THR A 81 -3.043 16.192 -14.448 1.00 25.00 C ATOM 1164 O THR A 81 -2.065 15.976 -15.163 1.00 25.00 O ATOM 1165 CB THR A 81 -4.959 16.399 -15.938 1.00 25.00 C ATOM 1166 OG1 THR A 81 -5.860 17.365 -16.447 1.00 25.00 O ATOM 1167 CG2 THR A 81 -5.818 15.341 -15.354 1.00 25.00 C ATOM 0 H THR A 81 -3.178 18.119 -16.415 1.00 25.00 H new ATOM 0 HA THR A 81 -4.681 17.475 -13.998 1.00 25.00 H new ATOM 0 HB THR A 81 -4.286 15.952 -16.670 1.00 25.00 H new ATOM 0 HG1 THR A 81 -6.429 16.953 -17.131 1.00 25.00 H new ATOM 0 HG21 THR A 81 -6.395 14.863 -16.145 1.00 25.00 H new ATOM 0 HG22 THR A 81 -5.193 14.597 -14.860 1.00 25.00 H new ATOM 0 HG23 THR A 81 -6.498 15.785 -14.627 1.00 25.00 H new ATOM 1175 N PHE A 82 -3.144 15.586 -13.248 1.00 25.00 N ATOM 1176 CA PHE A 82 -2.115 14.633 -12.755 1.00 25.00 C ATOM 1177 C PHE A 82 -2.807 13.241 -12.654 1.00 25.00 C ATOM 1178 O PHE A 82 -4.015 13.206 -12.341 1.00 25.00 O ATOM 1179 CB PHE A 82 -1.692 15.141 -11.387 1.00 25.00 C ATOM 1180 CG PHE A 82 -0.901 16.417 -11.495 1.00 25.00 C ATOM 1181 CD1 PHE A 82 0.498 16.327 -11.908 1.00 50.00 C ATOM 1182 CD2 PHE A 82 -1.490 17.659 -11.227 1.00 50.00 C ATOM 1183 CE1 PHE A 82 1.249 17.505 -12.052 1.00 25.00 C ATOM 1184 CE2 PHE A 82 -0.773 18.797 -11.413 1.00 25.00 C ATOM 1185 CZ PHE A 82 0.588 18.718 -11.828 1.00 25.00 C ATOM 0 H PHE A 82 -3.920 15.734 -12.602 1.00 25.00 H new ATOM 0 HA PHE A 82 -1.241 14.550 -13.401 1.00 25.00 H new ATOM 0 HB2 PHE A 82 -2.575 15.310 -10.771 1.00 25.00 H new ATOM 0 HB3 PHE A 82 -1.093 14.381 -10.884 1.00 25.00 H new ATOM 0 HD1 PHE A 82 0.949 15.365 -12.100 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -2.509 17.711 -10.874 1.00 50.00 H new ATOM 0 HE1 PHE A 82 2.294 17.476 -12.324 1.00 25.00 H new ATOM 0 HE2 PHE A 82 -1.233 19.760 -11.247 1.00 25.00 H new ATOM 0 HZ PHE A 82 1.135 19.637 -11.977 1.00 25.00 H new ATOM 1195 N THR A 83 -2.099 12.126 -13.021 1.00 25.00 N ATOM 1196 CA THR A 83 -2.634 10.806 -12.821 1.00 25.00 C ATOM 1197 C THR A 83 -1.661 9.934 -12.069 1.00 25.00 C ATOM 1198 O THR A 83 -0.476 10.013 -12.142 1.00 25.00 O ATOM 1199 CB THR A 83 -3.005 10.126 -14.190 1.00 25.00 C ATOM 1200 OG1 THR A 83 -3.817 11.034 -14.983 1.00 25.00 O ATOM 1201 CG2 THR A 83 -3.685 8.768 -14.081 1.00 25.00 C ATOM 0 H THR A 83 -1.173 12.150 -13.448 1.00 25.00 H new ATOM 0 HA THR A 83 -3.542 10.914 -12.228 1.00 25.00 H new ATOM 0 HB THR A 83 -2.053 9.922 -14.680 1.00 25.00 H new ATOM 0 HG1 THR A 83 -4.587 11.330 -14.454 1.00 25.00 H new ATOM 0 HG21 THR A 83 -3.898 8.387 -15.080 1.00 25.00 H new ATOM 0 HG22 THR A 83 -3.027 8.073 -13.560 1.00 25.00 H new ATOM 0 HG23 THR A 83 -4.617 8.871 -13.526 1.00 25.00 H new ATOM 1209 N TRP A 84 -2.204 9.206 -11.116 1.00 25.00 N ATOM 1210 CA TRP A 84 -1.435 8.396 -10.182 1.00 25.00 C ATOM 1211 C TRP A 84 -2.214 7.090 -10.342 1.00 25.00 C ATOM 1212 O TRP A 84 -3.402 7.166 -10.812 1.00 25.00 O ATOM 1213 CB TRP A 84 -1.560 9.011 -8.719 1.00 25.00 C ATOM 1214 CG TRP A 84 -1.223 10.415 -8.570 1.00 25.00 C ATOM 1215 CD1 TRP A 84 -0.461 11.199 -9.364 1.00 25.00 C ATOM 1216 CD2 TRP A 84 -1.567 11.250 -7.452 1.00 25.00 C ATOM 1217 NE1 TRP A 84 -0.352 12.474 -8.861 1.00 25.00 N ATOM 1218 CE2 TRP A 84 -1.088 12.568 -7.748 1.00 25.00 C ATOM 1219 CE3 TRP A 84 -2.191 10.993 -6.256 1.00 25.00 C ATOM 1220 CZ2 TRP A 84 -1.411 13.676 -6.961 1.00 25.00 C ATOM 1221 CZ3 TRP A 84 -2.542 12.116 -5.418 1.00 25.00 C ATOM 1222 CH2 TRP A 84 -2.138 13.434 -5.819 1.00 25.00 C ATOM 0 H TRP A 84 -3.211 9.157 -10.962 1.00 25.00 H new ATOM 0 HA TRP A 84 -0.361 8.311 -10.348 1.00 25.00 H new ATOM 0 HB2 TRP A 84 -2.585 8.869 -8.377 1.00 25.00 H new ATOM 0 HB3 TRP A 84 -0.919 8.435 -8.052 1.00 25.00 H new ATOM 0 HD1 TRP A 84 0.004 10.866 -10.280 1.00 25.00 H new ATOM 0 HE1 TRP A 84 0.201 13.227 -9.271 1.00 25.00 H new ATOM 0 HE3 TRP A 84 -2.413 9.981 -5.951 1.00 25.00 H new ATOM 0 HZ2 TRP A 84 -1.105 14.674 -7.236 1.00 25.00 H new ATOM 0 HZ3 TRP A 84 -3.099 11.967 -4.505 1.00 25.00 H new ATOM 0 HH2 TRP A 84 -2.417 14.272 -5.197 1.00 25.00 H new ATOM 1233 N THR A 85 -1.649 5.950 -10.010 1.00 25.00 N ATOM 1234 CA THR A 85 -2.331 4.697 -10.141 1.00 25.00 C ATOM 1235 C THR A 85 -1.916 3.753 -9.085 1.00 25.00 C ATOM 1236 O THR A 85 -0.772 3.852 -8.580 1.00 25.00 O ATOM 1237 CB THR A 85 -2.124 4.083 -11.537 1.00 25.00 C ATOM 1238 OG1 THR A 85 -3.050 2.994 -11.715 1.00 25.00 O ATOM 1239 CG2 THR A 85 -0.682 3.575 -11.714 1.00 25.00 C ATOM 0 H THR A 85 -0.701 5.874 -9.641 1.00 25.00 H new ATOM 0 HA THR A 85 -3.397 4.893 -10.021 1.00 25.00 H new ATOM 0 HB THR A 85 -2.303 4.854 -12.287 1.00 25.00 H new ATOM 0 HG1 THR A 85 -2.924 2.600 -12.603 1.00 25.00 H new ATOM 0 HG21 THR A 85 -0.567 3.147 -12.710 1.00 25.00 H new ATOM 0 HG22 THR A 85 0.014 4.405 -11.593 1.00 25.00 H new ATOM 0 HG23 THR A 85 -0.470 2.812 -10.964 1.00 25.00 H new ATOM 1247 N TYR A 86 -2.784 2.807 -8.775 1.00 25.00 N ATOM 1248 CA TYR A 86 -2.525 1.632 -7.929 1.00 25.00 C ATOM 1249 C TYR A 86 -3.002 0.473 -8.719 1.00 25.00 C ATOM 1250 O TYR A 86 -3.865 0.720 -9.561 1.00 25.00 O ATOM 1251 CB TYR A 86 -3.305 1.627 -6.631 1.00 25.00 C ATOM 1252 CG TYR A 86 -3.128 2.856 -5.756 1.00 25.00 C ATOM 1253 CD1 TYR A 86 -3.959 3.985 -5.919 1.00 50.00 C ATOM 1254 CD2 TYR A 86 -2.118 2.879 -4.763 1.00 50.00 C ATOM 1255 CE1 TYR A 86 -3.901 5.070 -4.994 1.00 25.00 C ATOM 1256 CE2 TYR A 86 -2.005 3.959 -3.875 1.00 25.00 C ATOM 1257 CZ TYR A 86 -2.900 5.062 -3.974 1.00 25.00 C ATOM 1258 OH TYR A 86 -2.830 6.104 -3.060 1.00 25.00 O ATOM 0 H TYR A 86 -3.744 2.829 -9.120 1.00 25.00 H new ATOM 0 HA TYR A 86 -1.467 1.618 -7.667 1.00 25.00 H new ATOM 0 HB2 TYR A 86 -4.364 1.518 -6.864 1.00 25.00 H new ATOM 0 HB3 TYR A 86 -3.014 0.748 -6.056 1.00 25.00 H new ATOM 0 HD1 TYR A 86 -4.645 4.028 -6.752 1.00 50.00 H new ATOM 0 HD2 TYR A 86 -1.425 2.054 -4.689 1.00 50.00 H new ATOM 0 HE1 TYR A 86 -4.604 5.887 -5.064 1.00 25.00 H new ATOM 0 HE2 TYR A 86 -1.238 3.954 -3.115 1.00 25.00 H new ATOM 0 HH TYR A 86 -3.653 6.634 -3.105 1.00 25.00 H new ATOM 1268 N THR A 87 -2.607 -0.751 -8.411 1.00 25.00 N ATOM 1269 CA THR A 87 -3.319 -1.894 -9.023 1.00 25.00 C ATOM 1270 C THR A 87 -4.028 -2.762 -8.010 1.00 25.00 C ATOM 1271 O THR A 87 -4.945 -3.579 -8.358 1.00 25.00 O ATOM 1272 CB THR A 87 -2.356 -2.796 -9.949 1.00 25.00 C ATOM 1273 OG1 THR A 87 -3.168 -3.565 -10.872 1.00 25.00 O ATOM 1274 CG2 THR A 87 -1.452 -3.663 -9.108 1.00 25.00 C ATOM 0 H THR A 87 -1.842 -0.988 -7.779 1.00 25.00 H new ATOM 0 HA THR A 87 -4.080 -1.443 -9.660 1.00 25.00 H new ATOM 0 HB THR A 87 -1.698 -2.153 -10.533 1.00 25.00 H new ATOM 0 HG1 THR A 87 -4.017 -3.800 -10.443 1.00 25.00 H new ATOM 0 HG21 THR A 87 -0.813 -4.261 -9.758 1.00 25.00 H new ATOM 0 HG22 THR A 87 -0.832 -3.032 -8.471 1.00 25.00 H new ATOM 0 HG23 THR A 87 -2.057 -4.323 -8.486 1.00 25.00 H new ATOM 1282 N ALA A 88 -3.800 -2.546 -6.710 1.00 25.00 N ATOM 1283 CA ALA A 88 -4.566 -3.109 -5.626 1.00 25.00 C ATOM 1284 C ALA A 88 -4.939 -1.960 -4.769 1.00 25.00 C ATOM 1285 O ALA A 88 -4.106 -1.092 -4.496 1.00 25.00 O ATOM 1286 CB ALA A 88 -3.749 -4.214 -4.891 1.00 25.00 C ATOM 0 H ALA A 88 -3.041 -1.947 -6.386 1.00 25.00 H new ATOM 0 HA ALA A 88 -5.468 -3.622 -5.961 1.00 25.00 H new ATOM 0 HB1 ALA A 88 -4.345 -4.626 -4.077 1.00 25.00 H new ATOM 0 HB2 ALA A 88 -3.497 -5.008 -5.594 1.00 25.00 H new ATOM 0 HB3 ALA A 88 -2.833 -3.782 -4.488 1.00 25.00 H new ATOM 1292 N PRO A 89 -6.187 -1.917 -4.287 1.00 25.00 N ATOM 1293 CA PRO A 89 -6.446 -0.730 -3.477 1.00 25.00 C ATOM 1294 C PRO A 89 -5.783 -0.674 -2.148 1.00 25.00 C ATOM 1295 O PRO A 89 -5.444 -1.684 -1.504 1.00 25.00 O ATOM 1296 CB PRO A 89 -7.994 -0.675 -3.444 1.00 25.00 C ATOM 1297 CG PRO A 89 -8.367 -2.141 -3.473 1.00 25.00 C ATOM 1298 CD PRO A 89 -7.369 -2.798 -4.410 1.00 25.00 C ATOM 0 HA PRO A 89 -5.993 0.161 -3.912 1.00 25.00 H new ATOM 0 HB2 PRO A 89 -8.365 -0.178 -2.547 1.00 25.00 H new ATOM 0 HB3 PRO A 89 -8.400 -0.135 -4.299 1.00 25.00 H new ATOM 0 HG2 PRO A 89 -8.315 -2.578 -2.476 1.00 25.00 H new ATOM 0 HG3 PRO A 89 -9.388 -2.279 -3.829 1.00 25.00 H new ATOM 0 HD2 PRO A 89 -7.145 -3.822 -4.111 1.00 25.00 H new ATOM 0 HD3 PRO A 89 -7.740 -2.839 -5.434 1.00 25.00 H new ATOM 1306 N HIS A 90 -5.633 0.550 -1.710 1.00 25.00 N ATOM 1307 CA HIS A 90 -5.164 0.864 -0.355 1.00 25.00 C ATOM 1308 C HIS A 90 -6.436 0.844 0.510 1.00 25.00 C ATOM 1309 O HIS A 90 -7.527 1.137 0.071 1.00 25.00 O ATOM 1310 CB HIS A 90 -4.537 2.211 -0.063 1.00 0.00 C ATOM 1311 CG HIS A 90 -3.108 2.236 -0.395 1.00 0.00 C ATOM 1312 ND1 HIS A 90 -2.125 2.872 0.395 1.00 0.00 N ATOM 1313 CD2 HIS A 90 -2.447 1.726 -1.457 1.00 0.00 C ATOM 1314 CE1 HIS A 90 -0.980 2.698 -0.281 1.00 0.00 C ATOM 1315 NE2 HIS A 90 -1.115 1.995 -1.376 1.00 0.00 N ATOM 0 H HIS A 90 -5.831 1.374 -2.277 1.00 25.00 H new ATOM 0 HA HIS A 90 -4.367 0.143 -0.172 1.00 25.00 H new ATOM 0 HB2 HIS A 90 -5.055 2.983 -0.632 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.668 2.451 0.992 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -2.257 3.356 1.283 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -2.913 1.178 -2.263 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -0.034 3.101 0.048 1.00 0.00 H new ATOM 1323 N ASN A 91 -6.277 0.618 1.829 1.00 25.00 N ATOM 1324 CA ASN A 91 -7.368 0.866 2.774 1.00 25.00 C ATOM 1325 C ASN A 91 -7.341 2.349 3.009 1.00 25.00 C ATOM 1326 O ASN A 91 -6.279 2.930 3.186 1.00 25.00 O ATOM 1327 CB ASN A 91 -7.266 0.092 4.104 1.00 25.00 C ATOM 1328 CG ASN A 91 -7.842 -1.303 4.048 1.00 25.00 C ATOM 1329 OD1 ASN A 91 -8.793 -1.560 3.274 1.00 25.00 O ATOM 1330 ND2 ASN A 91 -7.343 -2.170 4.814 1.00 25.00 N ATOM 0 H ASN A 91 -5.417 0.270 2.253 1.00 25.00 H new ATOM 0 HA ASN A 91 -8.307 0.508 2.351 1.00 25.00 H new ATOM 0 HB2 ASN A 91 -6.218 0.030 4.397 1.00 25.00 H new ATOM 0 HB3 ASN A 91 -7.781 0.656 4.881 1.00 25.00 H new ATOM 0 HD21 ASN A 91 -7.713 -3.120 4.818 1.00 25.00 H new ATOM 0 HD22 ASN A 91 -6.569 -1.921 5.430 1.00 25.00 H new ATOM 1337 N THR A 92 -8.502 3.055 2.941 1.00 25.00 N ATOM 1338 CA THR A 92 -8.531 4.514 3.059 1.00 25.00 C ATOM 1339 C THR A 92 -9.914 4.965 3.633 1.00 25.00 C ATOM 1340 O THR A 92 -10.885 4.301 3.283 1.00 25.00 O ATOM 1341 CB THR A 92 -8.353 5.124 1.641 1.00 25.00 C ATOM 1342 OG1 THR A 92 -7.131 4.593 1.108 1.00 25.00 O ATOM 1343 CG2 THR A 92 -8.126 6.670 1.578 1.00 25.00 C ATOM 0 H THR A 92 -9.418 2.628 2.806 1.00 25.00 H new ATOM 0 HA THR A 92 -7.735 4.849 3.724 1.00 25.00 H new ATOM 0 HB THR A 92 -9.278 4.887 1.116 1.00 25.00 H new ATOM 0 HG1 THR A 92 -6.899 5.070 0.284 1.00 25.00 H new ATOM 0 HG21 THR A 92 -8.015 6.979 0.539 1.00 25.00 H new ATOM 0 HG22 THR A 92 -8.981 7.182 2.020 1.00 25.00 H new ATOM 0 HG23 THR A 92 -7.223 6.928 2.131 1.00 25.00 H new ATOM 1351 N SER A 93 -9.988 6.093 4.293 1.00 25.00 N ATOM 1352 CA SER A 93 -11.232 6.767 4.678 1.00 25.00 C ATOM 1353 C SER A 93 -11.318 8.061 3.954 1.00 25.00 C ATOM 1354 O SER A 93 -12.402 8.452 3.408 1.00 25.00 O ATOM 1355 CB SER A 93 -11.166 7.036 6.141 1.00 25.00 C ATOM 1356 OG SER A 93 -9.854 7.570 6.444 1.00 25.00 O ATOM 0 H SER A 93 -9.156 6.599 4.596 1.00 25.00 H new ATOM 0 HA SER A 93 -12.099 6.152 4.437 1.00 25.00 H new ATOM 0 HB2 SER A 93 -11.941 7.744 6.433 1.00 25.00 H new ATOM 0 HB3 SER A 93 -11.343 6.120 6.704 1.00 25.00 H new ATOM 0 HG SER A 93 -9.790 7.756 7.404 1.00 25.00 H new ATOM 1362 N GLN A 94 -10.244 8.849 3.847 1.00 25.00 N ATOM 1363 CA GLN A 94 -10.172 10.075 3.053 1.00 25.00 C ATOM 1364 C GLN A 94 -8.778 10.320 2.584 1.00 25.00 C ATOM 1365 O GLN A 94 -7.839 10.173 3.371 1.00 25.00 O ATOM 1366 CB GLN A 94 -10.677 11.289 3.888 1.00 25.00 C ATOM 1367 CG GLN A 94 -10.821 12.681 3.173 1.00 25.00 C ATOM 1368 CD GLN A 94 -11.216 13.776 4.176 1.00 25.00 C ATOM 1369 OE1 GLN A 94 -11.229 13.534 5.374 1.00 25.00 O ATOM 1370 NE2 GLN A 94 -11.533 14.913 3.756 1.00 25.00 N ATOM 0 H GLN A 94 -9.370 8.641 4.330 1.00 25.00 H new ATOM 0 HA GLN A 94 -10.813 9.955 2.180 1.00 25.00 H new ATOM 0 HB2 GLN A 94 -11.651 11.026 4.301 1.00 25.00 H new ATOM 0 HB3 GLN A 94 -9.998 11.418 4.731 1.00 25.00 H new ATOM 0 HG2 GLN A 94 -9.880 12.946 2.692 1.00 25.00 H new ATOM 0 HG3 GLN A 94 -11.573 12.614 2.387 1.00 25.00 H new ATOM 0 HE21 GLN A 94 -11.520 15.109 2.755 1.00 25.00 H new ATOM 0 HE22 GLN A 94 -11.804 15.643 4.415 1.00 25.00 H new ATOM 1379 N TRP A 95 -8.610 10.862 1.384 1.00 25.00 N ATOM 1380 CA TRP A 95 -7.285 11.378 1.046 1.00 25.00 C ATOM 1381 C TRP A 95 -7.281 12.906 0.857 1.00 25.00 C ATOM 1382 O TRP A 95 -8.300 13.504 0.601 1.00 25.00 O ATOM 1383 CB TRP A 95 -6.577 10.598 -0.065 1.00 25.00 C ATOM 1384 CG TRP A 95 -7.246 10.580 -1.413 1.00 25.00 C ATOM 1385 CD1 TRP A 95 -8.241 9.791 -1.784 1.00 25.00 C ATOM 1386 CD2 TRP A 95 -6.855 11.324 -2.603 1.00 25.00 C ATOM 1387 NE1 TRP A 95 -8.541 9.930 -3.106 1.00 25.00 N ATOM 1388 CE2 TRP A 95 -7.674 10.856 -3.644 1.00 25.00 C ATOM 1389 CE3 TRP A 95 -5.890 12.358 -2.862 1.00 25.00 C ATOM 1390 CZ2 TRP A 95 -7.585 11.361 -4.956 1.00 25.00 C ATOM 1391 CZ3 TRP A 95 -5.779 12.818 -4.225 1.00 25.00 C ATOM 1392 CH2 TRP A 95 -6.648 12.303 -5.218 1.00 25.00 C ATOM 0 H TRP A 95 -9.327 10.955 0.664 1.00 25.00 H new ATOM 0 HA TRP A 95 -6.660 11.194 1.920 1.00 25.00 H new ATOM 0 HB2 TRP A 95 -5.577 11.013 -0.188 1.00 25.00 H new ATOM 0 HB3 TRP A 95 -6.455 9.567 0.268 1.00 25.00 H new ATOM 0 HD1 TRP A 95 -8.756 9.115 -1.117 1.00 25.00 H new ATOM 0 HE1 TRP A 95 -9.278 9.435 -3.609 1.00 25.00 H new ATOM 0 HE3 TRP A 95 -5.278 12.771 -2.074 1.00 25.00 H new ATOM 0 HZ2 TRP A 95 -8.247 11.006 -5.732 1.00 25.00 H new ATOM 0 HZ3 TRP A 95 -5.034 13.554 -4.488 1.00 25.00 H new ATOM 0 HH2 TRP A 95 -6.560 12.678 -6.227 1.00 25.00 H new ATOM 1403 N HIS A 96 -6.111 13.488 1.176 1.00 25.00 N ATOM 1404 CA HIS A 96 -6.015 14.961 1.321 1.00 25.00 C ATOM 1405 C HIS A 96 -4.686 15.327 0.573 1.00 25.00 C ATOM 1406 O HIS A 96 -3.786 14.476 0.529 1.00 25.00 O ATOM 1407 CB HIS A 96 -5.884 15.247 2.811 1.00 25.00 C ATOM 1408 CG HIS A 96 -6.866 14.595 3.722 1.00 25.00 C ATOM 1409 ND1 HIS A 96 -6.816 13.379 4.303 1.00 25.00 N flip ATOM 1410 CD2 HIS A 96 -7.895 15.241 4.366 1.00 25.00 C flip ATOM 1411 CE1 HIS A 96 -7.760 13.288 5.274 1.00 25.00 C flip ATOM 1412 NE2 HIS A 96 -8.336 14.451 5.354 1.00 25.00 N flip ATOM 0 H HIS A 96 -5.239 12.983 1.335 1.00 25.00 H new ATOM 0 HA HIS A 96 -6.864 15.520 0.927 1.00 25.00 H new ATOM 0 HB2 HIS A 96 -4.884 14.949 3.125 1.00 25.00 H new ATOM 0 HB3 HIS A 96 -5.955 16.325 2.955 1.00 25.00 H new ATOM 0 HD2 HIS A 96 -8.282 16.218 4.118 1.00 25.00 H new ATOM 0 HE1 HIS A 96 -7.989 12.415 5.868 1.00 25.00 H new ATOM 0 HE2 HIS A 96 -9.020 14.721 6.061 1.00 25.00 H new ATOM 1420 N TYR A 97 -4.539 16.522 -0.023 1.00 25.00 N ATOM 1421 CA TYR A 97 -3.325 16.960 -0.729 1.00 25.00 C ATOM 1422 C TYR A 97 -3.228 18.490 -0.509 1.00 25.00 C ATOM 1423 O TYR A 97 -4.264 19.174 -0.331 1.00 25.00 O ATOM 1424 CB TYR A 97 -3.173 16.462 -2.201 1.00 25.00 C ATOM 1425 CG TYR A 97 -4.332 16.734 -3.130 1.00 25.00 C ATOM 1426 CD1 TYR A 97 -5.541 15.968 -2.935 1.00 50.00 C ATOM 1427 CD2 TYR A 97 -4.208 17.635 -4.241 1.00 50.00 C ATOM 1428 CE1 TYR A 97 -6.589 16.065 -3.870 1.00 25.00 C ATOM 1429 CE2 TYR A 97 -5.269 17.767 -5.074 1.00 25.00 C ATOM 1430 CZ TYR A 97 -6.452 16.921 -4.929 1.00 25.00 C ATOM 1431 OH TYR A 97 -7.559 16.965 -5.705 1.00 25.00 O ATOM 0 H TYR A 97 -5.278 17.225 -0.027 1.00 25.00 H new ATOM 0 HA TYR A 97 -2.448 16.471 -0.306 1.00 25.00 H new ATOM 0 HB2 TYR A 97 -2.281 16.922 -2.626 1.00 25.00 H new ATOM 0 HB3 TYR A 97 -2.998 15.386 -2.180 1.00 25.00 H new ATOM 0 HD1 TYR A 97 -5.641 15.323 -2.075 1.00 50.00 H new ATOM 0 HD2 TYR A 97 -3.297 18.191 -4.408 1.00 50.00 H new ATOM 0 HE1 TYR A 97 -7.486 15.474 -3.754 1.00 25.00 H new ATOM 0 HE2 TYR A 97 -5.240 18.509 -5.858 1.00 25.00 H new ATOM 0 HH TYR A 97 -7.777 16.061 -6.016 1.00 25.00 H new ATOM 1441 N TYR A 98 -2.005 18.982 -0.480 1.00 25.00 N ATOM 1442 CA TYR A 98 -1.653 20.231 0.164 1.00 25.00 C ATOM 1443 C TYR A 98 -0.417 20.763 -0.569 1.00 25.00 C ATOM 1444 O TYR A 98 0.234 20.011 -1.283 1.00 25.00 O ATOM 1445 CB TYR A 98 -1.210 20.071 1.658 1.00 25.00 C ATOM 1446 CG TYR A 98 -2.156 19.334 2.565 1.00 25.00 C ATOM 1447 CD1 TYR A 98 -2.182 17.894 2.532 1.00 50.00 C ATOM 1448 CD2 TYR A 98 -2.842 19.974 3.555 1.00 50.00 C ATOM 1449 CE1 TYR A 98 -2.991 17.203 3.453 1.00 25.00 C ATOM 1450 CE2 TYR A 98 -3.650 19.334 4.474 1.00 25.00 C ATOM 1451 CZ TYR A 98 -3.749 17.955 4.392 1.00 25.00 C ATOM 1452 OH TYR A 98 -4.540 17.344 5.387 1.00 25.00 O ATOM 0 H TYR A 98 -1.210 18.513 -0.914 1.00 25.00 H new ATOM 0 HA TYR A 98 -2.533 20.873 0.132 1.00 25.00 H new ATOM 0 HB2 TYR A 98 -0.250 19.555 1.675 1.00 25.00 H new ATOM 0 HB3 TYR A 98 -1.045 21.065 2.073 1.00 25.00 H new ATOM 0 HD1 TYR A 98 -1.589 17.352 1.810 1.00 50.00 H new ATOM 0 HD2 TYR A 98 -2.747 21.048 3.624 1.00 50.00 H new ATOM 0 HE1 TYR A 98 -3.035 16.124 3.447 1.00 25.00 H new ATOM 0 HE2 TYR A 98 -4.186 19.889 5.230 1.00 25.00 H new ATOM 0 HH TYR A 98 -4.977 18.035 5.927 1.00 25.00 H new ATOM 1462 N ILE A 99 -0.162 22.026 -0.353 1.00 25.00 N ATOM 1463 CA ILE A 99 1.011 22.650 -0.960 1.00 25.00 C ATOM 1464 C ILE A 99 1.635 23.559 0.076 1.00 25.00 C ATOM 1465 O ILE A 99 0.931 23.814 1.049 1.00 25.00 O ATOM 1466 CB ILE A 99 0.659 23.642 -2.137 1.00 25.00 C ATOM 1467 CG1 ILE A 99 -0.461 24.587 -1.782 1.00 25.00 C ATOM 1468 CG2 ILE A 99 0.134 22.800 -3.358 1.00 25.00 C ATOM 1469 CD1 ILE A 99 -0.619 25.915 -2.705 1.00 25.00 C ATOM 0 H ILE A 99 -0.731 22.644 0.226 1.00 25.00 H new ATOM 0 HA ILE A 99 1.636 21.833 -1.321 1.00 25.00 H new ATOM 0 HB ILE A 99 1.563 24.211 -2.354 1.00 25.00 H new ATOM 0 HG12 ILE A 99 -1.399 24.033 -1.821 1.00 25.00 H new ATOM 0 HG13 ILE A 99 -0.322 24.906 -0.749 1.00 25.00 H new ATOM 0 HG21 ILE A 99 -0.114 23.469 -4.182 1.00 25.00 H new ATOM 0 HG22 ILE A 99 0.908 22.102 -3.678 1.00 25.00 H new ATOM 0 HG23 ILE A 99 -0.755 22.244 -3.061 1.00 25.00 H new ATOM 0 HD11 ILE A 99 -1.459 26.510 -2.346 1.00 25.00 H new ATOM 0 HD12 ILE A 99 0.295 26.507 -2.650 1.00 25.00 H new ATOM 0 HD13 ILE A 99 -0.799 25.620 -3.739 1.00 25.00 H new ATOM 1481 N THR A 100 2.853 24.041 -0.148 1.00 25.00 N ATOM 1482 CA THR A 100 3.431 25.067 0.696 1.00 25.00 C ATOM 1483 C THR A 100 3.218 26.420 0.055 1.00 25.00 C ATOM 1484 O THR A 100 3.062 26.587 -1.126 1.00 25.00 O ATOM 1485 CB THR A 100 4.919 24.885 0.972 1.00 25.00 C ATOM 1486 OG1 THR A 100 5.666 24.613 -0.207 1.00 25.00 O ATOM 1487 CG2 THR A 100 5.247 23.714 1.873 1.00 25.00 C ATOM 0 H THR A 100 3.456 23.733 -0.911 1.00 25.00 H new ATOM 0 HA THR A 100 2.923 24.989 1.657 1.00 25.00 H new ATOM 0 HB THR A 100 5.182 25.835 1.438 1.00 25.00 H new ATOM 0 HG1 THR A 100 6.623 24.696 -0.014 1.00 25.00 H new ATOM 0 HG21 THR A 100 6.326 23.657 2.017 1.00 25.00 H new ATOM 0 HG22 THR A 100 4.758 23.849 2.838 1.00 25.00 H new ATOM 0 HG23 THR A 100 4.893 22.791 1.413 1.00 25.00 H new ATOM 1495 N LYS A 101 3.288 27.407 0.964 1.00 25.00 N ATOM 1496 CA LYS A 101 3.086 28.791 0.524 1.00 25.00 C ATOM 1497 C LYS A 101 4.278 29.389 -0.265 1.00 25.00 C ATOM 1498 O LYS A 101 5.186 29.946 0.402 1.00 25.00 O ATOM 1499 CB LYS A 101 2.740 29.701 1.710 1.00 25.00 C ATOM 1500 CG LYS A 101 1.332 29.512 2.397 1.00 25.00 C ATOM 1501 CD LYS A 101 0.200 30.154 1.628 1.00 25.00 C ATOM 1502 CE LYS A 101 -1.109 30.334 2.460 1.00 25.00 C ATOM 1503 NZ LYS A 101 -1.825 31.321 1.695 1.00 25.00 N1+ ATOM 0 H LYS A 101 3.474 27.281 1.959 1.00 25.00 H new ATOM 0 HA LYS A 101 2.247 28.748 -0.170 1.00 25.00 H new ATOM 0 HB2 LYS A 101 3.506 29.562 2.473 1.00 25.00 H new ATOM 0 HB3 LYS A 101 2.811 30.734 1.371 1.00 25.00 H new ATOM 0 HG2 LYS A 101 1.129 28.447 2.507 1.00 25.00 H new ATOM 0 HG3 LYS A 101 1.366 29.935 3.401 1.00 25.00 H new ATOM 0 HD2 LYS A 101 0.526 31.129 1.267 1.00 25.00 H new ATOM 0 HD3 LYS A 101 -0.020 29.547 0.750 1.00 25.00 H new ATOM 0 HE2 LYS A 101 -1.668 29.402 2.546 1.00 25.00 H new ATOM 0 HE3 LYS A 101 -0.903 30.676 3.474 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 -1.905 32.198 2.248 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 -1.312 31.515 0.812 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 -2.776 30.964 1.472 1.00 25.00 H new ATOM 1517 N LYS A 102 4.235 29.260 -1.589 1.00 25.00 N ATOM 1518 CA LYS A 102 5.096 30.022 -2.480 1.00 25.00 C ATOM 1519 C LYS A 102 4.963 31.536 -2.340 1.00 25.00 C ATOM 1520 O LYS A 102 3.930 32.106 -2.579 1.00 25.00 O ATOM 1521 CB LYS A 102 4.923 29.576 -3.922 1.00 25.00 C ATOM 1522 CG LYS A 102 5.817 30.025 -5.067 1.00 25.00 C ATOM 1523 CD LYS A 102 5.147 29.574 -6.263 1.00 25.00 C ATOM 1524 CE LYS A 102 5.856 30.224 -7.457 1.00 25.00 C ATOM 1525 NZ LYS A 102 5.597 29.831 -8.807 1.00 25.00 N1+ ATOM 0 H LYS A 102 3.601 28.623 -2.071 1.00 25.00 H new ATOM 0 HA LYS A 102 6.115 29.798 -2.165 1.00 25.00 H new ATOM 0 HB2 LYS A 102 4.968 28.487 -3.911 1.00 25.00 H new ATOM 0 HB3 LYS A 102 3.907 29.850 -4.205 1.00 25.00 H new ATOM 0 HG2 LYS A 102 5.942 31.108 -5.069 1.00 25.00 H new ATOM 0 HG3 LYS A 102 6.813 29.590 -4.984 1.00 25.00 H new ATOM 0 HD2 LYS A 102 5.186 28.487 -6.338 1.00 25.00 H new ATOM 0 HD3 LYS A 102 4.094 29.855 -6.242 1.00 25.00 H new ATOM 0 HE2 LYS A 102 5.651 31.293 -7.398 1.00 25.00 H new ATOM 0 HE3 LYS A 102 6.926 30.095 -7.294 1.00 25.00 H new ATOM 0 HZ1 LYS A 102 6.419 29.317 -9.183 1.00 25.00 H new ATOM 0 HZ2 LYS A 102 4.761 29.213 -8.834 1.00 25.00 H new ATOM 0 HZ3 LYS A 102 5.422 30.676 -9.387 1.00 25.00 H new ATOM 1539 N GLY A 103 6.046 32.157 -1.871 1.00 25.00 N ATOM 1540 CA GLY A 103 6.177 33.611 -1.878 1.00 25.00 C ATOM 1541 C GLY A 103 5.594 34.290 -0.657 1.00 25.00 C ATOM 1542 O GLY A 103 4.995 35.385 -0.727 1.00 25.00 O ATOM 0 H GLY A 103 6.851 31.669 -1.479 1.00 25.00 H new ATOM 0 HA2 GLY A 103 7.233 33.870 -1.955 1.00 25.00 H new ATOM 0 HA3 GLY A 103 5.687 34.005 -2.768 1.00 25.00 H new ATOM 1546 N TRP A 104 5.746 33.583 0.476 1.00 25.00 N ATOM 1547 CA TRP A 104 5.256 34.051 1.780 1.00 25.00 C ATOM 1548 C TRP A 104 6.119 35.171 2.370 1.00 25.00 C ATOM 1549 O TRP A 104 7.216 35.442 1.920 1.00 25.00 O ATOM 1550 CB TRP A 104 5.258 32.851 2.748 1.00 25.00 C ATOM 1551 CG TRP A 104 6.541 32.074 2.860 1.00 25.00 C ATOM 1552 CD1 TRP A 104 7.759 32.407 2.342 1.00 25.00 C ATOM 1553 CD2 TRP A 104 6.785 30.908 3.589 1.00 25.00 C ATOM 1554 NE1 TRP A 104 8.808 31.524 2.736 1.00 25.00 N ATOM 1555 CE2 TRP A 104 8.207 30.652 3.590 1.00 25.00 C ATOM 1556 CE3 TRP A 104 5.955 30.012 4.278 1.00 25.00 C ATOM 1557 CZ2 TRP A 104 8.766 29.495 4.222 1.00 25.00 C ATOM 1558 CZ3 TRP A 104 6.530 28.922 5.005 1.00 25.00 C ATOM 1559 CH2 TRP A 104 7.917 28.654 4.936 1.00 25.00 C ATOM 0 H TRP A 104 6.210 32.675 0.512 1.00 25.00 H new ATOM 0 HA TRP A 104 4.255 34.459 1.640 1.00 25.00 H new ATOM 0 HB2 TRP A 104 4.993 33.215 3.741 1.00 25.00 H new ATOM 0 HB3 TRP A 104 4.470 32.164 2.439 1.00 25.00 H new ATOM 0 HD1 TRP A 104 7.914 33.258 1.695 1.00 25.00 H new ATOM 0 HE1 TRP A 104 9.785 31.542 2.444 1.00 25.00 H new ATOM 0 HE3 TRP A 104 4.883 30.144 4.260 1.00 25.00 H new ATOM 0 HZ2 TRP A 104 9.822 29.280 4.146 1.00 25.00 H new ATOM 0 HZ3 TRP A 104 5.896 28.295 5.615 1.00 25.00 H new ATOM 0 HH2 TRP A 104 8.321 27.789 5.442 1.00 25.00 H new ATOM 1570 N ASP A 105 5.544 35.890 3.352 1.00 25.00 N ATOM 1571 CA ASP A 105 6.257 36.990 4.060 1.00 25.00 C ATOM 1572 C ASP A 105 6.290 36.691 5.561 1.00 25.00 C ATOM 1573 O ASP A 105 5.352 36.200 6.112 1.00 25.00 O ATOM 1574 CB ASP A 105 5.505 38.316 3.803 1.00 25.00 C ATOM 1575 CG ASP A 105 6.138 39.492 4.370 1.00 25.00 C ATOM 1576 OD1 ASP A 105 6.666 40.291 3.536 1.00 25.00 O ATOM 1577 OD2 ASP A 105 6.078 39.757 5.591 1.00 25.00 O1- ATOM 0 H ASP A 105 4.590 35.736 3.679 1.00 25.00 H new ATOM 0 HA ASP A 105 7.280 37.072 3.692 1.00 25.00 H new ATOM 0 HB2 ASP A 105 5.404 38.458 2.727 1.00 25.00 H new ATOM 0 HB3 ASP A 105 4.497 38.231 4.209 1.00 25.00 H new ATOM 1582 N PRO A 106 7.436 37.071 6.217 1.00 25.00 N ATOM 1583 CA PRO A 106 7.470 36.731 7.659 1.00 25.00 C ATOM 1584 C PRO A 106 6.660 37.553 8.614 1.00 25.00 C ATOM 1585 O PRO A 106 6.418 37.207 9.751 1.00 25.00 O ATOM 1586 CB PRO A 106 8.964 36.876 7.992 1.00 25.00 C ATOM 1587 CG PRO A 106 9.428 38.059 7.040 1.00 25.00 C ATOM 1588 CD PRO A 106 8.704 37.646 5.772 1.00 25.00 C ATOM 0 HA PRO A 106 7.012 35.751 7.793 1.00 25.00 H new ATOM 0 HB2 PRO A 106 9.122 37.118 9.043 1.00 25.00 H new ATOM 0 HB3 PRO A 106 9.514 35.957 7.791 1.00 25.00 H new ATOM 0 HG2 PRO A 106 9.115 39.038 7.403 1.00 25.00 H new ATOM 0 HG3 PRO A 106 10.510 38.097 6.913 1.00 25.00 H new ATOM 0 HD2 PRO A 106 8.539 38.502 5.118 1.00 25.00 H new ATOM 0 HD3 PRO A 106 9.287 36.920 5.206 1.00 25.00 H new ATOM 1596 N ASP A 107 6.253 38.734 8.213 1.00 25.00 N ATOM 1597 CA ASP A 107 5.403 39.576 9.051 1.00 25.00 C ATOM 1598 C ASP A 107 3.940 39.153 8.870 1.00 25.00 C ATOM 1599 O ASP A 107 3.038 39.837 9.370 1.00 25.00 O ATOM 1600 CB ASP A 107 5.567 41.046 8.608 1.00 25.00 C ATOM 1601 CG ASP A 107 4.966 42.040 9.594 1.00 25.00 C ATOM 1602 OD1 ASP A 107 4.499 43.096 9.139 1.00 75.00 O ATOM 1603 OD2 ASP A 107 4.940 41.788 10.827 1.00 75.00 O1- ATOM 0 H ASP A 107 6.493 39.143 7.310 1.00 25.00 H new ATOM 0 HA ASP A 107 5.687 39.469 10.098 1.00 25.00 H new ATOM 0 HB2 ASP A 107 6.627 41.265 8.482 1.00 25.00 H new ATOM 0 HB3 ASP A 107 5.096 41.180 7.634 1.00 25.00 H new ATOM 1608 N LYS A 108 3.782 38.045 8.184 1.00 25.00 N ATOM 1609 CA LYS A 108 2.530 37.395 7.800 1.00 25.00 C ATOM 1610 C LYS A 108 2.757 35.956 8.302 1.00 25.00 C ATOM 1611 O LYS A 108 3.897 35.658 8.815 1.00 25.00 O ATOM 1612 CB LYS A 108 2.332 37.502 6.295 1.00 25.00 C ATOM 1613 CG LYS A 108 1.730 38.861 5.900 1.00 25.00 C ATOM 1614 CD LYS A 108 1.521 38.947 4.442 1.00 25.00 C ATOM 1615 CE LYS A 108 1.044 40.304 3.970 1.00 25.00 C ATOM 1616 NZ LYS A 108 0.995 40.548 2.466 1.00 25.00 N1+ ATOM 0 H LYS A 108 4.591 37.523 7.847 1.00 25.00 H new ATOM 0 HA LYS A 108 1.622 37.831 8.216 1.00 25.00 H new ATOM 0 HB2 LYS A 108 3.289 37.367 5.791 1.00 25.00 H new ATOM 0 HB3 LYS A 108 1.676 36.700 5.955 1.00 25.00 H new ATOM 0 HG2 LYS A 108 0.780 39.005 6.416 1.00 25.00 H new ATOM 0 HG3 LYS A 108 2.393 39.663 6.223 1.00 25.00 H new ATOM 0 HD2 LYS A 108 2.456 38.705 3.936 1.00 25.00 H new ATOM 0 HD3 LYS A 108 0.793 38.193 4.144 1.00 25.00 H new ATOM 0 HE2 LYS A 108 0.043 40.467 4.370 1.00 25.00 H new ATOM 0 HE3 LYS A 108 1.691 41.061 4.413 1.00 25.00 H new ATOM 0 HZ1 LYS A 108 0.652 41.512 2.282 1.00 25.00 H new ATOM 0 HZ2 LYS A 108 1.948 40.437 2.065 1.00 25.00 H new ATOM 0 HZ3 LYS A 108 0.351 39.861 2.024 1.00 25.00 H new ATOM 1630 N PRO A 109 1.752 35.085 8.322 1.00 25.00 N ATOM 1631 CA PRO A 109 1.737 33.707 8.803 1.00 25.00 C ATOM 1632 C PRO A 109 2.710 32.647 8.282 1.00 25.00 C ATOM 1633 O PRO A 109 2.335 31.462 8.300 1.00 25.00 O ATOM 1634 CB PRO A 109 0.331 33.203 8.446 1.00 25.00 C ATOM 1635 CG PRO A 109 -0.376 34.280 8.638 1.00 25.00 C ATOM 1636 CD PRO A 109 0.358 35.430 8.072 1.00 25.00 C ATOM 0 HA PRO A 109 2.048 33.796 9.844 1.00 25.00 H new ATOM 0 HB2 PRO A 109 0.269 32.847 7.418 1.00 25.00 H new ATOM 0 HB3 PRO A 109 0.013 32.381 9.087 1.00 25.00 H new ATOM 0 HG2 PRO A 109 -1.352 34.182 8.162 1.00 25.00 H new ATOM 0 HG3 PRO A 109 -0.554 34.431 9.703 1.00 25.00 H new ATOM 0 HD2 PRO A 109 0.157 35.553 7.008 1.00 25.00 H new ATOM 0 HD3 PRO A 109 0.080 36.365 8.558 1.00 25.00 H new ATOM 1644 N LEU A 110 3.884 33.006 7.842 1.00 25.00 N ATOM 1645 CA LEU A 110 4.893 32.051 7.319 1.00 25.00 C ATOM 1646 C LEU A 110 5.207 30.916 8.301 1.00 25.00 C ATOM 1647 O LEU A 110 5.323 29.777 7.950 1.00 25.00 O ATOM 1648 CB LEU A 110 6.214 32.898 7.003 1.00 25.00 C ATOM 1649 CG LEU A 110 7.636 32.384 6.742 1.00 25.00 C ATOM 1650 CD1 LEU A 110 8.389 33.364 5.861 1.00 50.00 C ATOM 1651 CD2 LEU A 110 8.395 32.271 8.035 1.00 50.00 C ATOM 0 H LEU A 110 4.197 33.977 7.825 1.00 25.00 H new ATOM 0 HA LEU A 110 4.500 31.566 6.426 1.00 25.00 H new ATOM 0 HB2 LEU A 110 5.964 33.494 6.125 1.00 25.00 H new ATOM 0 HB3 LEU A 110 6.313 33.589 7.840 1.00 25.00 H new ATOM 0 HG LEU A 110 7.556 31.410 6.259 1.00 25.00 H new ATOM 0 HD11 LEU A 110 9.397 32.991 5.681 1.00 50.00 H new ATOM 0 HD12 LEU A 110 7.867 33.473 4.910 1.00 50.00 H new ATOM 0 HD13 LEU A 110 8.444 34.332 6.358 1.00 50.00 H new ATOM 0 HD21 LEU A 110 9.402 31.905 7.835 1.00 50.00 H new ATOM 0 HD22 LEU A 110 8.452 33.250 8.510 1.00 50.00 H new ATOM 0 HD23 LEU A 110 7.882 31.575 8.699 1.00 50.00 H new ATOM 1663 N LYS A 111 5.299 31.238 9.587 1.00 25.00 N ATOM 1664 CA LYS A 111 5.626 30.247 10.577 1.00 25.00 C ATOM 1665 C LYS A 111 4.462 29.440 11.117 1.00 25.00 C ATOM 1666 O LYS A 111 4.630 28.547 11.902 1.00 25.00 O ATOM 1667 CB LYS A 111 6.356 30.846 11.796 1.00 25.00 C ATOM 1668 CG LYS A 111 5.366 31.808 12.661 1.00 25.00 C ATOM 1669 CD LYS A 111 6.080 32.594 13.769 1.00 25.00 C ATOM 1670 CE LYS A 111 6.712 31.699 14.906 1.00 25.00 C ATOM 1671 NZ LYS A 111 7.445 32.462 15.972 1.00 25.00 N1+ ATOM 0 H LYS A 111 5.150 32.177 9.956 1.00 25.00 H new ATOM 0 HA LYS A 111 6.270 29.574 10.011 1.00 25.00 H new ATOM 0 HB2 LYS A 111 6.731 30.042 12.430 1.00 25.00 H new ATOM 0 HB3 LYS A 111 7.221 31.418 11.460 1.00 25.00 H new ATOM 0 HG2 LYS A 111 4.877 32.511 11.987 1.00 25.00 H new ATOM 0 HG3 LYS A 111 4.582 31.198 13.109 1.00 25.00 H new ATOM 0 HD2 LYS A 111 6.869 33.197 13.319 1.00 25.00 H new ATOM 0 HD3 LYS A 111 5.369 33.286 14.222 1.00 25.00 H new ATOM 0 HE2 LYS A 111 5.918 31.118 15.375 1.00 25.00 H new ATOM 0 HE3 LYS A 111 7.400 30.988 14.449 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 7.826 31.797 16.675 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 8.227 32.996 15.541 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 6.791 33.122 16.439 1.00 25.00 H new ATOM 1685 N ARG A 112 3.259 29.762 10.748 1.00 25.00 N ATOM 1686 CA ARG A 112 2.053 29.091 11.232 1.00 25.00 C ATOM 1687 C ARG A 112 1.467 28.342 10.105 1.00 25.00 C ATOM 1688 O ARG A 112 1.486 27.139 10.038 1.00 25.00 O ATOM 1689 CB ARG A 112 1.059 30.102 11.721 1.00 25.00 C ATOM 1690 CG ARG A 112 -0.219 29.438 12.282 1.00 25.00 C ATOM 1691 CD ARG A 112 -1.340 30.474 12.433 1.00 25.00 C ATOM 1692 NE ARG A 112 -1.148 31.512 13.450 1.00 25.00 N ATOM 1693 CZ ARG A 112 -1.682 31.503 14.659 1.00 25.00 C ATOM 1694 NH1 ARG A 112 -2.619 30.692 15.059 1.00 25.00 N1+ ATOM 1695 NH2 ARG A 112 -1.194 32.368 15.500 1.00 25.00 N ATOM 0 H ARG A 112 3.066 30.514 10.087 1.00 25.00 H new ATOM 0 HA ARG A 112 2.305 28.422 12.055 1.00 25.00 H new ATOM 0 HB2 ARG A 112 1.518 30.715 12.496 1.00 25.00 H new ATOM 0 HB3 ARG A 112 0.790 30.770 10.903 1.00 25.00 H new ATOM 0 HG2 ARG A 112 -0.542 28.638 11.616 1.00 25.00 H new ATOM 0 HG3 ARG A 112 -0.005 28.982 13.248 1.00 25.00 H new ATOM 0 HD2 ARG A 112 -1.482 30.964 11.470 1.00 25.00 H new ATOM 0 HD3 ARG A 112 -2.265 29.943 12.660 1.00 25.00 H new ATOM 0 HE ARG A 112 -0.555 32.305 13.205 1.00 25.00 H new ATOM 0 HH11 ARG A 112 -2.997 29.994 14.418 1.00 25.00 H new ATOM 0 HH12 ARG A 112 -2.975 30.755 16.013 1.00 25.00 H new ATOM 0 HH21 ARG A 112 -0.446 32.997 15.208 1.00 25.00 H new ATOM 0 HH22 ARG A 112 -1.559 32.417 16.451 1.00 25.00 H new ATOM 1709 N ALA A 113 0.999 29.080 9.124 1.00 25.00 N ATOM 1710 CA ALA A 113 0.256 28.637 7.967 1.00 25.00 C ATOM 1711 C ALA A 113 1.206 28.477 6.793 1.00 25.00 C ATOM 1712 O ALA A 113 1.003 28.961 5.671 1.00 25.00 O ATOM 1713 CB ALA A 113 -0.867 29.713 7.729 1.00 25.00 C ATOM 0 H ALA A 113 1.141 30.090 9.115 1.00 25.00 H new ATOM 0 HA ALA A 113 -0.213 27.663 8.103 1.00 25.00 H new ATOM 0 HB1 ALA A 113 -1.464 29.430 6.862 1.00 25.00 H new ATOM 0 HB2 ALA A 113 -1.508 29.770 8.609 1.00 25.00 H new ATOM 0 HB3 ALA A 113 -0.407 30.685 7.551 1.00 25.00 H new ATOM 1719 N ASP A 114 2.208 27.684 7.125 1.00 25.00 N ATOM 1720 CA ASP A 114 3.210 27.277 6.176 1.00 25.00 C ATOM 1721 C ASP A 114 2.538 26.468 4.975 1.00 25.00 C ATOM 1722 O ASP A 114 2.927 26.700 3.830 1.00 25.00 O ATOM 1723 CB ASP A 114 4.119 26.245 6.902 1.00 25.00 C ATOM 1724 CG ASP A 114 5.358 25.851 6.112 1.00 25.00 C ATOM 1725 OD1 ASP A 114 5.353 25.318 4.968 1.00 25.00 O ATOM 1726 OD2 ASP A 114 6.477 26.088 6.710 1.00 25.00 O1- ATOM 0 H ASP A 114 2.344 27.307 8.063 1.00 25.00 H new ATOM 0 HA ASP A 114 3.738 28.156 5.806 1.00 25.00 H new ATOM 0 HB2 ASP A 114 4.429 26.660 7.861 1.00 25.00 H new ATOM 0 HB3 ASP A 114 3.536 25.349 7.115 1.00 25.00 H new ATOM 1731 N PHE A 115 1.601 25.587 5.324 1.00 25.00 N ATOM 1732 CA PHE A 115 0.857 24.704 4.409 1.00 25.00 C ATOM 1733 C PHE A 115 -0.572 25.181 4.174 1.00 25.00 C ATOM 1734 O PHE A 115 -1.103 25.851 5.041 1.00 25.00 O ATOM 1735 CB PHE A 115 0.780 23.263 4.981 1.00 25.00 C ATOM 1736 CG PHE A 115 2.056 22.642 5.438 1.00 25.00 C ATOM 1737 CD1 PHE A 115 2.310 22.565 6.850 1.00 50.00 C ATOM 1738 CD2 PHE A 115 2.936 22.232 4.493 1.00 50.00 C ATOM 1739 CE1 PHE A 115 3.533 21.978 7.284 1.00 25.00 C ATOM 1740 CE2 PHE A 115 4.185 21.720 4.886 1.00 25.00 C ATOM 1741 CZ PHE A 115 4.504 21.649 6.322 1.00 25.00 C ATOM 0 H PHE A 115 1.323 25.459 6.297 1.00 25.00 H new ATOM 0 HA PHE A 115 1.401 24.722 3.465 1.00 25.00 H new ATOM 0 HB2 PHE A 115 0.087 23.270 5.823 1.00 25.00 H new ATOM 0 HB3 PHE A 115 0.346 22.619 4.216 1.00 25.00 H new ATOM 0 HD1 PHE A 115 1.592 22.942 7.564 1.00 50.00 H new ATOM 0 HD2 PHE A 115 2.680 22.298 3.446 1.00 50.00 H new ATOM 0 HE1 PHE A 115 3.711 21.789 8.332 1.00 25.00 H new ATOM 0 HE2 PHE A 115 4.898 21.385 4.148 1.00 25.00 H new ATOM 0 HZ PHE A 115 5.490 21.342 6.638 1.00 25.00 H new ATOM 1751 N GLU A 116 -1.099 24.852 2.998 1.00 25.00 N ATOM 1752 CA GLU A 116 -2.503 25.065 2.683 1.00 25.00 C ATOM 1753 C GLU A 116 -3.084 23.923 1.855 1.00 25.00 C ATOM 1754 O GLU A 116 -2.492 23.421 0.946 1.00 25.00 O ATOM 1755 CB GLU A 116 -2.680 26.346 1.900 1.00 25.00 C ATOM 1756 CG GLU A 116 -4.124 26.791 1.907 1.00 25.00 C ATOM 1757 CD GLU A 116 -4.386 28.074 1.116 1.00 25.00 C ATOM 1758 OE1 GLU A 116 -4.761 28.037 -0.032 1.00 25.00 O ATOM 1759 OE2 GLU A 116 -4.044 29.185 1.679 1.00 25.00 O1- ATOM 0 H GLU A 116 -0.563 24.431 2.239 1.00 25.00 H new ATOM 0 HA GLU A 116 -3.030 25.119 3.635 1.00 25.00 H new ATOM 0 HB2 GLU A 116 -2.053 27.128 2.329 1.00 25.00 H new ATOM 0 HB3 GLU A 116 -2.347 26.197 0.873 1.00 25.00 H new ATOM 0 HG2 GLU A 116 -4.741 25.992 1.497 1.00 25.00 H new ATOM 0 HG3 GLU A 116 -4.442 26.942 2.939 1.00 25.00 H new ATOM 1766 N LEU A 117 -4.227 23.400 2.310 1.00 25.00 N ATOM 1767 CA LEU A 117 -4.845 22.261 1.657 1.00 25.00 C ATOM 1768 C LEU A 117 -5.333 22.645 0.221 1.00 25.00 C ATOM 1769 O LEU A 117 -5.978 23.668 0.152 1.00 25.00 O ATOM 1770 CB LEU A 117 -6.144 21.850 2.474 1.00 25.00 C ATOM 1771 CG LEU A 117 -6.864 20.634 1.997 1.00 25.00 C ATOM 1772 CD1 LEU A 117 -6.304 19.289 2.304 1.00 50.00 C ATOM 1773 CD2 LEU A 117 -8.231 20.687 2.596 1.00 50.00 C ATOM 0 H LEU A 117 -4.734 23.750 3.123 1.00 25.00 H new ATOM 0 HA LEU A 117 -4.111 21.456 1.609 1.00 25.00 H new ATOM 0 HB2 LEU A 117 -5.859 21.694 3.514 1.00 25.00 H new ATOM 0 HB3 LEU A 117 -6.840 22.689 2.457 1.00 25.00 H new ATOM 0 HG LEU A 117 -6.798 20.696 0.911 1.00 25.00 H new ATOM 0 HD11 LEU A 117 -6.952 18.520 1.884 1.00 50.00 H new ATOM 0 HD12 LEU A 117 -5.308 19.202 1.869 1.00 50.00 H new ATOM 0 HD13 LEU A 117 -6.241 19.159 3.384 1.00 50.00 H new ATOM 0 HD21 LEU A 117 -8.802 19.815 2.277 1.00 50.00 H new ATOM 0 HD22 LEU A 117 -8.152 20.691 3.683 1.00 50.00 H new ATOM 0 HD23 LEU A 117 -8.738 21.594 2.266 1.00 50.00 H new ATOM 1785 N ILE A 118 -5.036 21.927 -0.828 1.00 25.00 N ATOM 1786 CA ILE A 118 -5.403 22.304 -2.165 1.00 25.00 C ATOM 1787 C ILE A 118 -6.528 21.418 -2.568 1.00 25.00 C ATOM 1788 O ILE A 118 -7.342 21.813 -3.412 1.00 25.00 O ATOM 1789 CB ILE A 118 -4.192 22.396 -3.096 1.00 25.00 C ATOM 1790 CG1 ILE A 118 -4.440 23.133 -4.413 1.00 25.00 C ATOM 1791 CG2 ILE A 118 -3.478 21.022 -3.395 1.00 25.00 C ATOM 1792 CD1 ILE A 118 -3.184 23.558 -5.147 1.00 25.00 C ATOM 0 H ILE A 118 -4.523 21.047 -0.776 1.00 25.00 H new ATOM 0 HA ILE A 118 -5.775 23.326 -2.231 1.00 25.00 H new ATOM 0 HB ILE A 118 -3.514 23.004 -2.497 1.00 25.00 H new ATOM 0 HG12 ILE A 118 -5.028 22.490 -5.068 1.00 25.00 H new ATOM 0 HG13 ILE A 118 -5.043 24.018 -4.210 1.00 25.00 H new ATOM 0 HG21 ILE A 118 -2.633 21.189 -4.063 1.00 25.00 H new ATOM 0 HG22 ILE A 118 -3.122 20.586 -2.461 1.00 25.00 H new ATOM 0 HG23 ILE A 118 -4.185 20.340 -3.868 1.00 25.00 H new ATOM 0 HD11 ILE A 118 -3.457 24.072 -6.068 1.00 25.00 H new ATOM 0 HD12 ILE A 118 -2.603 24.230 -4.515 1.00 25.00 H new ATOM 0 HD13 ILE A 118 -2.587 22.678 -5.386 1.00 25.00 H new ATOM 1804 N GLY A 119 -6.680 20.291 -1.912 1.00 25.00 N ATOM 1805 CA GLY A 119 -7.879 19.456 -2.122 1.00 25.00 C ATOM 1806 C GLY A 119 -7.919 18.186 -1.287 1.00 25.00 C ATOM 1807 O GLY A 119 -6.933 17.753 -0.733 1.00 25.00 O ATOM 0 H GLY A 119 -6.011 19.921 -1.236 1.00 25.00 H new ATOM 0 HA2 GLY A 119 -8.764 20.051 -1.897 1.00 25.00 H new ATOM 0 HA3 GLY A 119 -7.937 19.184 -3.176 1.00 25.00 H new ATOM 1811 N ALA A 120 -9.110 17.628 -1.157 1.00 25.00 N ATOM 1812 CA ALA A 120 -9.391 16.390 -0.371 1.00 25.00 C ATOM 1813 C ALA A 120 -10.625 15.636 -0.939 1.00 25.00 C ATOM 1814 O ALA A 120 -11.703 16.202 -1.205 1.00 25.00 O ATOM 1815 CB ALA A 120 -9.611 16.841 1.117 1.00 25.00 C ATOM 0 H ALA A 120 -9.944 18.016 -1.598 1.00 25.00 H new ATOM 0 HA ALA A 120 -8.560 15.687 -0.433 1.00 25.00 H new ATOM 0 HB1 ALA A 120 -9.821 15.968 1.735 1.00 25.00 H new ATOM 0 HB2 ALA A 120 -8.712 17.337 1.483 1.00 25.00 H new ATOM 0 HB3 ALA A 120 -10.453 17.532 1.167 1.00 25.00 H new ATOM 1821 N VAL A 121 -10.408 14.331 -1.073 1.00 25.00 N ATOM 1822 CA VAL A 121 -11.397 13.413 -1.725 1.00 25.00 C ATOM 1823 C VAL A 121 -11.770 12.256 -0.801 1.00 25.00 C ATOM 1824 O VAL A 121 -10.979 11.286 -0.759 1.00 25.00 O ATOM 1825 CB VAL A 121 -10.779 12.817 -3.052 1.00 25.00 C ATOM 1826 CG1 VAL A 121 -11.726 11.976 -3.899 1.00 50.00 C ATOM 1827 CG2 VAL A 121 -10.107 13.974 -3.831 1.00 50.00 C ATOM 0 H VAL A 121 -9.562 13.864 -0.746 1.00 25.00 H new ATOM 0 HA VAL A 121 -12.293 13.993 -1.948 1.00 25.00 H new ATOM 0 HB VAL A 121 -10.031 12.077 -2.768 1.00 25.00 H new ATOM 0 HG11 VAL A 121 -11.201 11.617 -4.784 1.00 50.00 H new ATOM 0 HG12 VAL A 121 -12.077 11.125 -3.316 1.00 50.00 H new ATOM 0 HG13 VAL A 121 -12.578 12.583 -4.204 1.00 50.00 H new ATOM 0 HG21 VAL A 121 -9.672 13.588 -4.753 1.00 50.00 H new ATOM 0 HG22 VAL A 121 -10.852 14.732 -4.071 1.00 50.00 H new ATOM 0 HG23 VAL A 121 -9.323 14.418 -3.218 1.00 50.00 H new ATOM 1837 N PRO A 122 -12.899 12.321 -0.069 1.00 25.00 N ATOM 1838 CA PRO A 122 -13.286 11.177 0.769 1.00 25.00 C ATOM 1839 C PRO A 122 -13.704 9.906 0.044 1.00 25.00 C ATOM 1840 O PRO A 122 -14.217 10.027 -1.058 1.00 25.00 O ATOM 1841 CB PRO A 122 -14.469 11.713 1.526 1.00 25.00 C ATOM 1842 CG PRO A 122 -15.035 12.813 0.676 1.00 25.00 C ATOM 1843 CD PRO A 122 -13.804 13.461 0.167 1.00 25.00 C ATOM 0 HA PRO A 122 -12.425 10.854 1.354 1.00 25.00 H new ATOM 0 HB2 PRO A 122 -15.209 10.932 1.698 1.00 25.00 H new ATOM 0 HB3 PRO A 122 -14.169 12.090 2.504 1.00 25.00 H new ATOM 0 HG2 PRO A 122 -15.659 12.428 -0.131 1.00 25.00 H new ATOM 0 HG3 PRO A 122 -15.651 13.502 1.254 1.00 25.00 H new ATOM 0 HD2 PRO A 122 -13.993 14.022 -0.748 1.00 25.00 H new ATOM 0 HD3 PRO A 122 -13.389 14.162 0.891 1.00 25.00 H new ATOM 1851 N HIS A 123 -13.526 8.750 0.672 1.00 25.00 N ATOM 1852 CA HIS A 123 -13.811 7.470 0.060 1.00 25.00 C ATOM 1853 C HIS A 123 -15.327 7.163 0.084 1.00 25.00 C ATOM 1854 O HIS A 123 -15.799 6.328 0.865 1.00 25.00 O ATOM 1855 CB HIS A 123 -13.034 6.390 0.839 1.00 25.00 C ATOM 1856 CG HIS A 123 -12.925 5.067 0.107 1.00 25.00 C ATOM 1857 ND1 HIS A 123 -13.987 4.196 0.011 1.00 25.00 N ATOM 1858 CD2 HIS A 123 -11.887 4.448 -0.443 1.00 25.00 C ATOM 1859 CE1 HIS A 123 -13.598 3.112 -0.613 1.00 25.00 C ATOM 1860 NE2 HIS A 123 -12.335 3.267 -0.968 1.00 25.00 N ATOM 0 H HIS A 123 -13.177 8.680 1.628 1.00 25.00 H new ATOM 0 HA HIS A 123 -13.502 7.486 -0.985 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -12.031 6.760 1.053 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -13.524 6.224 1.799 1.00 25.00 H new ATOM 0 HD1 HIS A 123 -14.927 4.367 0.369 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -10.871 4.812 -0.471 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -14.206 2.240 -0.805 1.00 25.00 H new ATOM 1868 N ASP A 124 -16.148 7.877 -0.681 1.00 25.00 N ATOM 1869 CA ASP A 124 -17.625 7.716 -0.706 1.00 25.00 C ATOM 1870 C ASP A 124 -18.083 6.451 -1.461 1.00 25.00 C ATOM 1871 O ASP A 124 -19.084 5.828 -1.202 1.00 25.00 O ATOM 1872 CB ASP A 124 -18.360 8.832 -1.487 1.00 25.00 C ATOM 1873 CG ASP A 124 -18.193 10.202 -0.869 1.00 25.00 C ATOM 1874 OD1 ASP A 124 -17.722 11.160 -1.571 1.00 50.00 O ATOM 1875 OD2 ASP A 124 -18.732 10.423 0.232 1.00 50.00 O1- ATOM 0 H ASP A 124 -15.814 8.600 -1.318 1.00 25.00 H new ATOM 0 HA ASP A 124 -17.867 7.706 0.357 1.00 25.00 H new ATOM 0 HB2 ASP A 124 -17.988 8.855 -2.511 1.00 25.00 H new ATOM 0 HB3 ASP A 124 -19.422 8.591 -1.539 1.00 25.00 H new ATOM 1880 N GLY A 125 -17.313 6.081 -2.448 1.00 25.00 N ATOM 1881 CA GLY A 125 -17.650 5.008 -3.366 1.00 25.00 C ATOM 1882 C GLY A 125 -18.338 5.480 -4.641 1.00 25.00 C ATOM 1883 O GLY A 125 -18.512 4.657 -5.542 1.00 25.00 O ATOM 0 H GLY A 125 -16.414 6.521 -2.647 1.00 25.00 H new ATOM 0 HA2 GLY A 125 -16.739 4.472 -3.633 1.00 25.00 H new ATOM 0 HA3 GLY A 125 -18.300 4.297 -2.856 1.00 25.00 H new ATOM 1887 N SER A 126 -18.628 6.766 -4.688 1.00 25.00 N ATOM 1888 CA SER A 126 -19.260 7.425 -5.820 1.00 25.00 C ATOM 1889 C SER A 126 -18.253 7.515 -6.973 1.00 25.00 C ATOM 1890 O SER A 126 -17.063 7.266 -6.804 1.00 25.00 O ATOM 1891 CB SER A 126 -19.754 8.795 -5.338 1.00 25.00 C ATOM 1892 OG SER A 126 -18.523 9.461 -5.102 1.00 25.00 O ATOM 0 H SER A 126 -18.425 7.402 -3.917 1.00 25.00 H new ATOM 0 HA SER A 126 -20.117 6.869 -6.200 1.00 25.00 H new ATOM 0 HB2 SER A 126 -20.360 9.302 -6.089 1.00 25.00 H new ATOM 0 HB3 SER A 126 -20.362 8.720 -4.436 1.00 25.00 H new ATOM 0 HG SER A 126 -18.699 10.371 -4.784 1.00 25.00 H new ATOM 1898 N PRO A 127 -18.738 7.829 -8.175 1.00 25.00 N ATOM 1899 CA PRO A 127 -17.739 7.903 -9.296 1.00 25.00 C ATOM 1900 C PRO A 127 -16.798 9.079 -9.298 1.00 25.00 C ATOM 1901 O PRO A 127 -15.719 8.988 -9.826 1.00 25.00 O ATOM 1902 CB PRO A 127 -18.657 7.913 -10.541 1.00 25.00 C ATOM 1903 CG PRO A 127 -19.865 8.700 -10.082 1.00 25.00 C ATOM 1904 CD PRO A 127 -20.112 8.072 -8.701 1.00 25.00 C ATOM 0 HA PRO A 127 -17.031 7.077 -9.228 1.00 25.00 H new ATOM 0 HB2 PRO A 127 -18.171 8.385 -11.395 1.00 25.00 H new ATOM 0 HB3 PRO A 127 -18.929 6.903 -10.848 1.00 25.00 H new ATOM 0 HG2 PRO A 127 -19.662 9.769 -10.019 1.00 25.00 H new ATOM 0 HG3 PRO A 127 -20.717 8.576 -10.750 1.00 25.00 H new ATOM 0 HD2 PRO A 127 -20.677 8.741 -8.052 1.00 25.00 H new ATOM 0 HD3 PRO A 127 -20.681 7.146 -8.778 1.00 25.00 H new ATOM 1912 N ALA A 128 -17.079 10.071 -8.435 1.00 25.00 N ATOM 1913 CA ALA A 128 -16.093 11.112 -8.173 1.00 25.00 C ATOM 1914 C ALA A 128 -15.056 10.584 -7.194 1.00 25.00 C ATOM 1915 O ALA A 128 -13.922 11.012 -7.252 1.00 25.00 O ATOM 1916 CB ALA A 128 -16.776 12.299 -7.519 1.00 25.00 C ATOM 0 H ALA A 128 -17.957 10.167 -7.924 1.00 25.00 H new ATOM 0 HA ALA A 128 -15.626 11.405 -9.113 1.00 25.00 H new ATOM 0 HB1 ALA A 128 -16.040 13.079 -7.322 1.00 25.00 H new ATOM 0 HB2 ALA A 128 -17.547 12.687 -8.184 1.00 25.00 H new ATOM 0 HB3 ALA A 128 -17.232 11.985 -6.580 1.00 25.00 H new ATOM 1922 N SER A 129 -15.426 9.699 -6.311 1.00 25.00 N ATOM 1923 CA SER A 129 -14.588 9.207 -5.240 1.00 25.00 C ATOM 1924 C SER A 129 -13.527 8.205 -5.865 1.00 25.00 C ATOM 1925 O SER A 129 -12.258 8.294 -5.685 1.00 25.00 O ATOM 1926 CB SER A 129 -15.414 8.493 -4.167 1.00 25.00 C ATOM 1927 OG SER A 129 -14.607 8.021 -3.150 1.00 25.00 O ATOM 0 H SER A 129 -16.356 9.280 -6.313 1.00 25.00 H new ATOM 0 HA SER A 129 -14.088 10.048 -4.759 1.00 25.00 H new ATOM 0 HB2 SER A 129 -16.156 9.179 -3.758 1.00 25.00 H new ATOM 0 HB3 SER A 129 -15.961 7.664 -4.616 1.00 25.00 H new ATOM 0 HG SER A 129 -14.379 8.757 -2.545 1.00 25.00 H new ATOM 1933 N ARG A 130 -14.091 7.357 -6.733 1.00 25.00 N ATOM 1934 CA ARG A 130 -13.352 6.368 -7.513 1.00 25.00 C ATOM 1935 C ARG A 130 -12.347 6.989 -8.522 1.00 25.00 C ATOM 1936 O ARG A 130 -11.337 6.339 -8.799 1.00 25.00 O ATOM 1937 CB ARG A 130 -14.310 5.488 -8.326 1.00 25.00 C ATOM 1938 CG ARG A 130 -15.061 4.592 -7.406 1.00 25.00 C ATOM 1939 CD ARG A 130 -16.089 3.834 -8.203 1.00 25.00 C ATOM 1940 NE ARG A 130 -16.932 2.951 -7.352 1.00 25.00 N ATOM 1941 CZ ARG A 130 -16.692 1.702 -6.991 1.00 25.00 C ATOM 1942 NH1 ARG A 130 -17.401 1.279 -6.001 1.00 25.00 N1+ ATOM 1943 NH2 ARG A 130 -15.780 0.934 -7.483 1.00 25.00 N ATOM 0 H ARG A 130 -15.095 7.342 -6.914 1.00 25.00 H new ATOM 0 HA ARG A 130 -12.797 5.791 -6.773 1.00 25.00 H new ATOM 0 HB2 ARG A 130 -15.003 6.112 -8.890 1.00 25.00 H new ATOM 0 HB3 ARG A 130 -13.751 4.897 -9.051 1.00 25.00 H new ATOM 0 HG2 ARG A 130 -14.379 3.899 -6.913 1.00 25.00 H new ATOM 0 HG3 ARG A 130 -15.545 5.175 -6.622 1.00 25.00 H new ATOM 0 HD2 ARG A 130 -16.728 4.541 -8.732 1.00 25.00 H new ATOM 0 HD3 ARG A 130 -15.586 3.232 -8.959 1.00 25.00 H new ATOM 0 HE ARG A 130 -17.800 3.359 -7.005 1.00 25.00 H new ATOM 0 HH11 ARG A 130 -18.083 1.897 -5.561 1.00 25.00 H new ATOM 0 HH12 ARG A 130 -17.280 0.326 -5.657 1.00 25.00 H new ATOM 0 HH21 ARG A 130 -15.165 1.280 -8.220 1.00 25.00 H new ATOM 0 HH22 ARG A 130 -15.674 -0.019 -7.136 1.00 25.00 H new ATOM 1957 N ASN A 131 -12.589 8.228 -8.928 1.00 25.00 N ATOM 1958 CA ASN A 131 -11.736 8.923 -9.844 1.00 25.00 C ATOM 1959 C ASN A 131 -10.453 9.465 -9.098 1.00 25.00 C ATOM 1960 O ASN A 131 -10.566 10.465 -8.340 1.00 25.00 O ATOM 1961 CB ASN A 131 -12.526 10.182 -10.394 1.00 25.00 C ATOM 1962 CG ASN A 131 -11.750 10.884 -11.488 1.00 25.00 C ATOM 1963 OD1 ASN A 131 -10.719 10.399 -11.907 1.00 25.00 O ATOM 1964 ND2 ASN A 131 -12.237 11.940 -12.112 1.00 25.00 N ATOM 0 H ASN A 131 -13.395 8.772 -8.620 1.00 25.00 H new ATOM 0 HA ASN A 131 -11.441 8.242 -10.643 1.00 25.00 H new ATOM 0 HB2 ASN A 131 -13.496 9.866 -10.779 1.00 25.00 H new ATOM 0 HB3 ASN A 131 -12.718 10.878 -9.578 1.00 25.00 H new ATOM 0 HD21 ASN A 131 -11.749 12.325 -12.921 1.00 25.00 H new ATOM 0 HD22 ASN A 131 -13.102 12.372 -11.785 1.00 25.00 H new ATOM 1971 N LEU A 132 -9.264 8.917 -9.324 1.00 25.00 N ATOM 1972 CA LEU A 132 -7.998 9.286 -8.718 1.00 25.00 C ATOM 1973 C LEU A 132 -7.434 10.456 -9.483 1.00 25.00 C ATOM 1974 O LEU A 132 -6.817 11.249 -8.840 1.00 25.00 O ATOM 1975 CB LEU A 132 -7.054 8.076 -8.769 1.00 25.00 C ATOM 1976 CG LEU A 132 -5.639 8.074 -8.195 1.00 25.00 C ATOM 1977 CD1 LEU A 132 -5.532 8.809 -6.800 1.00 75.00 C ATOM 1978 CD2 LEU A 132 -5.199 6.646 -7.962 1.00 75.00 C ATOM 0 H LEU A 132 -9.156 8.147 -9.985 1.00 25.00 H new ATOM 0 HA LEU A 132 -8.125 9.576 -7.675 1.00 25.00 H new ATOM 0 HB2 LEU A 132 -7.582 7.257 -8.281 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -6.956 7.810 -9.821 1.00 25.00 H new ATOM 0 HG LEU A 132 -5.016 8.598 -8.920 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -4.501 8.772 -6.447 1.00 75.00 H new ATOM 0 HD12 LEU A 132 -5.840 9.849 -6.912 1.00 75.00 H new ATOM 0 HD13 LEU A 132 -6.181 8.314 -6.077 1.00 75.00 H new ATOM 0 HD21 LEU A 132 -4.189 6.639 -7.552 1.00 75.00 H new ATOM 0 HD22 LEU A 132 -5.879 6.166 -7.259 1.00 75.00 H new ATOM 0 HD23 LEU A 132 -5.211 6.103 -8.907 1.00 75.00 H new ATOM 1990 N SER A 133 -7.645 10.549 -10.790 1.00 25.00 N ATOM 1991 CA SER A 133 -6.915 11.616 -11.485 1.00 25.00 C ATOM 1992 C SER A 133 -7.671 12.956 -11.261 1.00 25.00 C ATOM 1993 O SER A 133 -8.904 12.940 -11.424 1.00 25.00 O ATOM 1994 CB SER A 133 -6.942 11.261 -12.960 1.00 25.00 C ATOM 1995 OG SER A 133 -6.470 12.300 -13.842 1.00 25.00 O ATOM 0 H SER A 133 -8.257 9.960 -11.355 1.00 25.00 H new ATOM 0 HA SER A 133 -5.892 11.717 -11.123 1.00 25.00 H new ATOM 0 HB2 SER A 133 -6.335 10.369 -13.115 1.00 25.00 H new ATOM 0 HB3 SER A 133 -7.964 11.004 -13.239 1.00 25.00 H new ATOM 0 HG SER A 133 -5.664 12.709 -13.464 1.00 25.00 H new ATOM 2001 N HIS A 134 -6.972 13.986 -10.811 1.00 25.00 N ATOM 2002 CA HIS A 134 -7.562 15.339 -10.548 1.00 25.00 C ATOM 2003 C HIS A 134 -6.879 16.466 -11.277 1.00 25.00 C ATOM 2004 O HIS A 134 -5.703 16.296 -11.613 1.00 25.00 O ATOM 2005 CB HIS A 134 -7.647 15.615 -8.980 1.00 25.00 C ATOM 2006 CG HIS A 134 -8.727 14.784 -8.291 1.00 25.00 C ATOM 2007 ND1 HIS A 134 -9.654 15.359 -7.502 1.00 25.00 N ATOM 2008 CD2 HIS A 134 -8.999 13.480 -8.294 1.00 25.00 C ATOM 2009 CE1 HIS A 134 -10.495 14.386 -7.074 1.00 25.00 C ATOM 2010 NE2 HIS A 134 -10.136 13.229 -7.578 1.00 25.00 N ATOM 0 H HIS A 134 -5.974 13.932 -10.609 1.00 25.00 H new ATOM 0 HA HIS A 134 -8.571 15.315 -10.960 1.00 25.00 H new ATOM 0 HB2 HIS A 134 -6.681 15.397 -8.524 1.00 25.00 H new ATOM 0 HB3 HIS A 134 -7.847 16.673 -8.812 1.00 25.00 H new ATOM 0 HD2 HIS A 134 -8.405 12.728 -8.792 1.00 25.00 H new ATOM 0 HE1 HIS A 134 -11.337 14.540 -6.415 1.00 25.00 H new ATOM 0 HE2 HIS A 134 -10.606 12.332 -7.460 1.00 25.00 H new ATOM 2018 N HIS A 135 -7.591 17.558 -11.545 1.00 25.00 N ATOM 2019 CA HIS A 135 -7.020 18.667 -12.315 1.00 25.00 C ATOM 2020 C HIS A 135 -6.567 19.715 -11.296 1.00 25.00 C ATOM 2021 O HIS A 135 -7.196 19.853 -10.253 1.00 25.00 O ATOM 2022 CB HIS A 135 -8.048 19.358 -13.256 1.00 25.00 C ATOM 2023 CG HIS A 135 -8.458 18.542 -14.500 1.00 25.00 C ATOM 2024 ND1 HIS A 135 -8.565 19.095 -15.782 1.00 25.00 N ATOM 2025 CD2 HIS A 135 -8.808 17.232 -14.684 1.00 25.00 C ATOM 2026 CE1 HIS A 135 -9.016 18.206 -16.642 1.00 25.00 C ATOM 2027 NE2 HIS A 135 -9.133 17.069 -16.023 1.00 25.00 N ATOM 0 H HIS A 135 -8.555 17.701 -11.245 1.00 25.00 H new ATOM 0 HA HIS A 135 -6.218 18.271 -12.938 1.00 25.00 H new ATOM 0 HB2 HIS A 135 -8.945 19.587 -12.681 1.00 25.00 H new ATOM 0 HB3 HIS A 135 -7.630 20.309 -13.587 1.00 25.00 H new ATOM 0 HD1 HIS A 135 -8.326 20.058 -16.018 1.00 25.00 H new ATOM 0 HD2 HIS A 135 -8.828 16.464 -13.925 1.00 25.00 H new ATOM 0 HE1 HIS A 135 -9.248 18.389 -17.681 1.00 25.00 H new ATOM 2035 N ILE A 136 -5.525 20.473 -11.567 1.00 25.00 N ATOM 2036 CA ILE A 136 -5.147 21.599 -10.737 1.00 25.00 C ATOM 2037 C ILE A 136 -4.651 22.719 -11.665 1.00 25.00 C ATOM 2038 O ILE A 136 -3.748 22.507 -12.523 1.00 25.00 O ATOM 2039 CB ILE A 136 -3.949 21.348 -9.712 1.00 25.00 C ATOM 2040 CG1 ILE A 136 -4.393 20.330 -8.646 1.00 25.00 C ATOM 2041 CG2 ILE A 136 -3.389 22.692 -8.985 1.00 25.00 C ATOM 2042 CD1 ILE A 136 -3.090 19.714 -7.966 1.00 25.00 C ATOM 0 H ILE A 136 -4.915 20.326 -12.371 1.00 25.00 H new ATOM 0 HA ILE A 136 -6.038 21.824 -10.151 1.00 25.00 H new ATOM 0 HB ILE A 136 -3.119 20.964 -10.306 1.00 25.00 H new ATOM 0 HG12 ILE A 136 -5.019 20.814 -7.897 1.00 25.00 H new ATOM 0 HG13 ILE A 136 -4.992 19.541 -9.101 1.00 25.00 H new ATOM 0 HG21 ILE A 136 -2.578 22.428 -8.307 1.00 25.00 H new ATOM 0 HG22 ILE A 136 -3.020 23.387 -9.739 1.00 25.00 H new ATOM 0 HG23 ILE A 136 -4.194 23.163 -8.421 1.00 25.00 H new ATOM 0 HD11 ILE A 136 -3.384 18.989 -7.207 1.00 25.00 H new ATOM 0 HD12 ILE A 136 -2.483 19.219 -8.724 1.00 25.00 H new ATOM 0 HD13 ILE A 136 -2.510 20.512 -7.501 1.00 25.00 H new ATOM 2054 N TYR A 137 -5.159 23.921 -11.518 1.00 25.00 N ATOM 2055 CA TYR A 137 -4.653 25.114 -12.150 1.00 25.00 C ATOM 2056 C TYR A 137 -3.371 25.646 -11.495 1.00 25.00 C ATOM 2057 O TYR A 137 -3.434 26.039 -10.365 1.00 25.00 O ATOM 2058 CB TYR A 137 -5.714 26.199 -12.186 1.00 25.00 C ATOM 2059 CG TYR A 137 -5.237 27.385 -12.983 1.00 25.00 C ATOM 2060 CD1 TYR A 137 -4.851 28.548 -12.318 1.00 50.00 C ATOM 2061 CD2 TYR A 137 -4.997 27.329 -14.366 1.00 50.00 C ATOM 2062 CE1 TYR A 137 -4.231 29.626 -12.942 1.00 25.00 C ATOM 2063 CE2 TYR A 137 -4.341 28.311 -15.045 1.00 25.00 C ATOM 2064 CZ TYR A 137 -3.858 29.464 -14.360 1.00 25.00 C ATOM 2065 OH TYR A 137 -3.212 30.492 -15.018 1.00 25.00 O ATOM 0 H TYR A 137 -5.972 24.100 -10.928 1.00 25.00 H new ATOM 0 HA TYR A 137 -4.393 24.830 -13.170 1.00 25.00 H new ATOM 0 HB2 TYR A 137 -6.630 25.804 -12.625 1.00 25.00 H new ATOM 0 HB3 TYR A 137 -5.956 26.511 -11.170 1.00 25.00 H new ATOM 0 HD1 TYR A 137 -5.044 28.616 -11.258 1.00 50.00 H new ATOM 0 HD2 TYR A 137 -5.348 26.468 -14.916 1.00 50.00 H new ATOM 0 HE1 TYR A 137 -4.031 30.544 -12.410 1.00 25.00 H new ATOM 0 HE2 TYR A 137 -4.186 28.215 -16.110 1.00 25.00 H new ATOM 0 HH TYR A 137 -3.035 30.227 -15.945 1.00 25.00 H new ATOM 2075 N ILE A 138 -2.272 25.745 -12.216 1.00 25.00 N ATOM 2076 CA ILE A 138 -1.008 26.255 -11.670 1.00 25.00 C ATOM 2077 C ILE A 138 -0.972 27.688 -12.236 1.00 25.00 C ATOM 2078 O ILE A 138 -1.114 27.820 -13.426 1.00 25.00 O ATOM 2079 CB ILE A 138 0.276 25.468 -12.237 1.00 25.00 C ATOM 2080 CG1 ILE A 138 0.309 23.927 -11.887 1.00 25.00 C ATOM 2081 CG2 ILE A 138 1.595 26.090 -11.719 1.00 25.00 C ATOM 2082 CD1 ILE A 138 0.246 23.548 -10.374 1.00 25.00 C ATOM 0 H ILE A 138 -2.219 25.477 -13.199 1.00 25.00 H new ATOM 0 HA ILE A 138 -0.969 26.162 -10.585 1.00 25.00 H new ATOM 0 HB ILE A 138 0.186 25.568 -13.319 1.00 25.00 H new ATOM 0 HG12 ILE A 138 -0.528 23.446 -12.393 1.00 25.00 H new ATOM 0 HG13 ILE A 138 1.222 23.503 -12.306 1.00 25.00 H new ATOM 0 HG21 ILE A 138 2.442 25.534 -12.121 1.00 25.00 H new ATOM 0 HG22 ILE A 138 1.658 27.130 -12.040 1.00 25.00 H new ATOM 0 HG23 ILE A 138 1.616 26.045 -10.630 1.00 25.00 H new ATOM 0 HD11 ILE A 138 0.276 22.463 -10.269 1.00 25.00 H new ATOM 0 HD12 ILE A 138 1.097 23.987 -9.853 1.00 25.00 H new ATOM 0 HD13 ILE A 138 -0.679 23.929 -9.942 1.00 25.00 H new ATOM 2094 N PRO A 139 -0.876 28.730 -11.365 1.00 25.00 N ATOM 2095 CA PRO A 139 -0.758 30.092 -11.908 1.00 25.00 C ATOM 2096 C PRO A 139 0.509 30.207 -12.739 1.00 25.00 C ATOM 2097 O PRO A 139 1.497 29.553 -12.495 1.00 25.00 O ATOM 2098 CB PRO A 139 -0.766 30.990 -10.629 1.00 25.00 C ATOM 2099 CG PRO A 139 -0.144 30.071 -9.622 1.00 25.00 C ATOM 2100 CD PRO A 139 -0.881 28.713 -9.881 1.00 25.00 C ATOM 0 HA PRO A 139 -1.555 30.386 -12.591 1.00 25.00 H new ATOM 0 HB2 PRO A 139 -0.187 31.904 -10.764 1.00 25.00 H new ATOM 0 HB3 PRO A 139 -1.774 31.291 -10.344 1.00 25.00 H new ATOM 0 HG2 PRO A 139 0.932 29.980 -9.769 1.00 25.00 H new ATOM 0 HG3 PRO A 139 -0.298 30.426 -8.603 1.00 25.00 H new ATOM 0 HD2 PRO A 139 -0.347 27.858 -9.467 1.00 25.00 H new ATOM 0 HD3 PRO A 139 -1.887 28.693 -9.463 1.00 25.00 H new ATOM 2108 N GLU A 140 0.542 31.088 -13.698 1.00 25.00 N ATOM 2109 CA GLU A 140 1.640 31.300 -14.600 1.00 25.00 C ATOM 2110 C GLU A 140 2.340 32.617 -14.359 1.00 25.00 C ATOM 2111 O GLU A 140 3.243 32.980 -15.137 1.00 25.00 O ATOM 2112 CB GLU A 140 1.037 31.279 -16.017 1.00 25.00 C ATOM 2113 CG GLU A 140 1.870 30.816 -17.189 1.00 25.00 C ATOM 2114 CD GLU A 140 1.175 31.039 -18.518 1.00 25.00 C ATOM 2115 OE1 GLU A 140 0.030 30.499 -18.799 1.00 25.00 O ATOM 2116 OE2 GLU A 140 1.819 31.724 -19.351 1.00 25.00 O1- ATOM 0 H GLU A 140 -0.242 31.714 -13.882 1.00 25.00 H new ATOM 0 HA GLU A 140 2.394 30.526 -14.455 1.00 25.00 H new ATOM 0 HB2 GLU A 140 0.149 30.647 -15.981 1.00 25.00 H new ATOM 0 HB3 GLU A 140 0.699 32.291 -16.240 1.00 25.00 H new ATOM 0 HG2 GLU A 140 2.822 31.347 -17.187 1.00 25.00 H new ATOM 0 HG3 GLU A 140 2.096 29.756 -17.074 1.00 25.00 H new ATOM 2123 N ASP A 141 1.929 33.443 -13.399 1.00 25.00 N ATOM 2124 CA ASP A 141 2.425 34.801 -13.168 1.00 25.00 C ATOM 2125 C ASP A 141 3.659 34.935 -12.285 1.00 25.00 C ATOM 2126 O ASP A 141 4.218 36.057 -12.115 1.00 25.00 O ATOM 2127 CB ASP A 141 1.303 35.680 -12.614 1.00 25.00 C ATOM 2128 CG ASP A 141 0.990 35.427 -11.179 1.00 25.00 C ATOM 2129 OD1 ASP A 141 0.751 34.264 -10.730 1.00 50.00 O ATOM 2130 OD2 ASP A 141 0.821 36.436 -10.430 1.00 50.00 O1- ATOM 0 H ASP A 141 1.208 33.173 -12.730 1.00 25.00 H new ATOM 0 HA ASP A 141 2.754 35.133 -14.152 1.00 25.00 H new ATOM 0 HB2 ASP A 141 1.581 36.727 -12.736 1.00 25.00 H new ATOM 0 HB3 ASP A 141 0.402 35.518 -13.206 1.00 25.00 H new ATOM 2135 N ARG A 142 4.061 33.820 -11.671 1.00 25.00 N ATOM 2136 CA ARG A 142 5.178 33.790 -10.766 1.00 25.00 C ATOM 2137 C ARG A 142 6.174 32.662 -10.947 1.00 25.00 C ATOM 2138 O ARG A 142 5.775 31.585 -11.329 1.00 25.00 O ATOM 2139 CB ARG A 142 4.698 33.797 -9.312 1.00 25.00 C ATOM 2140 CG ARG A 142 3.939 34.971 -8.834 1.00 25.00 C ATOM 2141 CD ARG A 142 4.744 36.222 -8.734 1.00 25.00 C ATOM 2142 NE ARG A 142 3.890 37.161 -8.030 1.00 25.00 N ATOM 2143 CZ ARG A 142 4.163 38.398 -7.637 1.00 25.00 C ATOM 2144 NH1 ARG A 142 3.225 39.097 -7.111 1.00 25.00 N1+ ATOM 2145 NH2 ARG A 142 5.386 38.920 -7.752 1.00 25.00 N ATOM 0 H ARG A 142 3.608 32.915 -11.798 1.00 25.00 H new ATOM 0 HA ARG A 142 5.725 34.698 -11.020 1.00 25.00 H new ATOM 0 HB2 ARG A 142 4.076 32.915 -9.162 1.00 25.00 H new ATOM 0 HB3 ARG A 142 5.573 33.683 -8.672 1.00 25.00 H new ATOM 0 HG2 ARG A 142 3.100 35.145 -9.507 1.00 25.00 H new ATOM 0 HG3 ARG A 142 3.519 34.743 -7.854 1.00 25.00 H new ATOM 0 HD2 ARG A 142 5.674 36.051 -8.192 1.00 25.00 H new ATOM 0 HD3 ARG A 142 5.015 36.597 -9.721 1.00 25.00 H new ATOM 0 HE ARG A 142 2.953 36.824 -7.807 1.00 25.00 H new ATOM 0 HH11 ARG A 142 2.292 38.699 -7.002 1.00 25.00 H new ATOM 0 HH12 ARG A 142 3.412 40.051 -6.801 1.00 25.00 H new ATOM 0 HH21 ARG A 142 6.142 38.364 -8.151 1.00 25.00 H new ATOM 0 HH22 ARG A 142 5.564 39.875 -7.440 1.00 25.00 H new ATOM 2159 N LEU A 143 7.431 32.881 -10.589 1.00 25.00 N ATOM 2160 CA LEU A 143 8.522 31.927 -10.706 1.00 25.00 C ATOM 2161 C LEU A 143 8.742 31.296 -9.319 1.00 25.00 C ATOM 2162 O LEU A 143 8.504 31.980 -8.342 1.00 25.00 O ATOM 2163 CB LEU A 143 9.803 32.612 -11.130 1.00 25.00 C ATOM 2164 CG LEU A 143 9.986 33.215 -12.545 1.00 25.00 C ATOM 2165 CD1 LEU A 143 11.329 33.953 -12.609 1.00 50.00 C ATOM 2166 CD2 LEU A 143 9.965 32.016 -13.531 1.00 50.00 C ATOM 0 H LEU A 143 7.731 33.771 -10.190 1.00 25.00 H new ATOM 0 HA LEU A 143 8.266 31.179 -11.456 1.00 25.00 H new ATOM 0 HB2 LEU A 143 9.976 33.421 -10.420 1.00 25.00 H new ATOM 0 HB3 LEU A 143 10.606 31.888 -10.991 1.00 25.00 H new ATOM 0 HG LEU A 143 9.203 33.931 -12.794 1.00 25.00 H new ATOM 0 HD11 LEU A 143 11.463 34.379 -13.603 1.00 50.00 H new ATOM 0 HD12 LEU A 143 11.341 34.751 -11.867 1.00 50.00 H new ATOM 0 HD13 LEU A 143 12.139 33.253 -12.402 1.00 50.00 H new ATOM 0 HD21 LEU A 143 10.090 32.381 -14.550 1.00 50.00 H new ATOM 0 HD22 LEU A 143 10.777 31.331 -13.288 1.00 50.00 H new ATOM 0 HD23 LEU A 143 9.012 31.493 -13.448 1.00 50.00 H new ATOM 2178 N GLY A 144 9.300 30.111 -9.236 1.00 25.00 N ATOM 2179 CA GLY A 144 9.681 29.539 -7.928 1.00 25.00 C ATOM 2180 C GLY A 144 9.139 28.270 -7.409 1.00 25.00 C ATOM 2181 O GLY A 144 8.024 27.848 -7.664 1.00 25.00 O ATOM 0 H GLY A 144 9.506 29.516 -10.038 1.00 25.00 H new ATOM 0 HA2 GLY A 144 10.765 29.426 -7.946 1.00 25.00 H new ATOM 0 HA3 GLY A 144 9.452 30.299 -7.181 1.00 25.00 H new ATOM 2185 N TYR A 145 9.902 27.681 -6.504 1.00 25.00 N ATOM 2186 CA TYR A 145 9.644 26.372 -5.916 1.00 25.00 C ATOM 2187 C TYR A 145 8.623 26.403 -4.798 1.00 25.00 C ATOM 2188 O TYR A 145 8.508 27.351 -4.017 1.00 25.00 O ATOM 2189 CB TYR A 145 10.985 25.842 -5.406 1.00 25.00 C ATOM 2190 CG TYR A 145 11.160 25.798 -3.891 1.00 25.00 C ATOM 2191 CD1 TYR A 145 11.704 26.866 -3.209 1.00 50.00 C ATOM 2192 CD2 TYR A 145 10.650 24.675 -3.194 1.00 50.00 C ATOM 2193 CE1 TYR A 145 11.738 26.816 -1.802 1.00 25.00 C ATOM 2194 CE2 TYR A 145 10.738 24.623 -1.771 1.00 25.00 C ATOM 2195 CZ TYR A 145 11.244 25.719 -1.122 1.00 25.00 C ATOM 2196 OH TYR A 145 11.284 25.681 0.260 1.00 25.00 O ATOM 0 H TYR A 145 10.751 28.116 -6.143 1.00 25.00 H new ATOM 0 HA TYR A 145 9.212 25.721 -6.677 1.00 25.00 H new ATOM 0 HB2 TYR A 145 11.126 24.834 -5.797 1.00 25.00 H new ATOM 0 HB3 TYR A 145 11.779 26.460 -5.825 1.00 25.00 H new ATOM 0 HD1 TYR A 145 12.095 27.721 -3.741 1.00 50.00 H new ATOM 0 HD2 TYR A 145 10.196 23.860 -3.738 1.00 50.00 H new ATOM 0 HE1 TYR A 145 12.155 27.644 -1.248 1.00 25.00 H new ATOM 0 HE2 TYR A 145 10.417 23.749 -1.224 1.00 25.00 H new ATOM 0 HH TYR A 145 10.895 24.839 0.575 1.00 25.00 H new ATOM 2206 N HIS A 146 7.852 25.303 -4.727 1.00 25.00 N ATOM 2207 CA HIS A 146 7.067 24.964 -3.524 1.00 25.00 C ATOM 2208 C HIS A 146 6.874 23.422 -3.434 1.00 25.00 C ATOM 2209 O HIS A 146 7.096 22.766 -4.437 1.00 25.00 O ATOM 2210 CB HIS A 146 5.727 25.744 -3.439 1.00 25.00 C ATOM 2211 CG HIS A 146 4.565 25.209 -4.228 1.00 25.00 C ATOM 2212 ND1 HIS A 146 4.505 24.233 -5.126 1.00 25.00 N flip ATOM 2213 CD2 HIS A 146 3.269 25.633 -4.068 1.00 25.00 C flip ATOM 2214 CE1 HIS A 146 3.199 24.014 -5.464 1.00 25.00 C flip ATOM 2215 NE2 HIS A 146 2.488 24.843 -4.788 1.00 25.00 N flip ATOM 0 H HIS A 146 7.755 24.632 -5.489 1.00 25.00 H new ATOM 0 HA HIS A 146 7.633 25.286 -2.650 1.00 25.00 H new ATOM 0 HB2 HIS A 146 5.430 25.791 -2.391 1.00 25.00 H new ATOM 0 HB3 HIS A 146 5.912 26.768 -3.764 1.00 25.00 H new ATOM 0 HD1 HIS A 146 5.306 23.727 -5.504 1.00 25.00 H new ATOM 0 HD2 HIS A 146 2.944 26.465 -3.461 1.00 25.00 H new ATOM 0 HE1 HIS A 146 2.833 23.281 -6.168 1.00 25.00 H new ATOM 2223 N VAL A 147 6.582 22.925 -2.251 1.00 25.00 N ATOM 2224 CA VAL A 147 6.519 21.521 -2.021 1.00 25.00 C ATOM 2225 C VAL A 147 5.043 21.097 -2.050 1.00 25.00 C ATOM 2226 O VAL A 147 4.224 21.824 -1.537 1.00 25.00 O ATOM 2227 CB VAL A 147 7.185 21.130 -0.673 1.00 25.00 C ATOM 2228 CG1 VAL A 147 7.522 19.630 -0.636 1.00 50.00 C ATOM 2229 CG2 VAL A 147 8.559 21.793 -0.460 1.00 50.00 C ATOM 0 H VAL A 147 6.383 23.495 -1.429 1.00 25.00 H new ATOM 0 HA VAL A 147 7.073 21.000 -2.802 1.00 25.00 H new ATOM 0 HB VAL A 147 6.459 21.442 0.078 1.00 25.00 H new ATOM 0 HG11 VAL A 147 7.987 19.385 0.319 1.00 50.00 H new ATOM 0 HG12 VAL A 147 6.608 19.049 -0.754 1.00 50.00 H new ATOM 0 HG13 VAL A 147 8.211 19.392 -1.447 1.00 50.00 H new ATOM 0 HG21 VAL A 147 8.970 21.479 0.499 1.00 50.00 H new ATOM 0 HG22 VAL A 147 9.236 21.493 -1.260 1.00 50.00 H new ATOM 0 HG23 VAL A 147 8.445 22.877 -0.468 1.00 50.00 H new ATOM 2239 N ILE A 148 4.746 19.896 -2.615 1.00 25.00 N ATOM 2240 CA ILE A 148 3.390 19.364 -2.629 1.00 25.00 C ATOM 2241 C ILE A 148 3.296 18.168 -1.689 1.00 25.00 C ATOM 2242 O ILE A 148 4.207 17.313 -1.728 1.00 25.00 O ATOM 2243 CB ILE A 148 2.964 18.924 -4.094 1.00 25.00 C ATOM 2244 CG1 ILE A 148 3.229 20.054 -5.118 1.00 25.00 C ATOM 2245 CG2 ILE A 148 1.489 18.449 -4.061 1.00 25.00 C ATOM 2246 CD1 ILE A 148 2.718 19.802 -6.383 1.00 25.00 C ATOM 0 H ILE A 148 5.437 19.293 -3.061 1.00 25.00 H new ATOM 0 HA ILE A 148 2.712 20.150 -2.295 1.00 25.00 H new ATOM 0 HB ILE A 148 3.576 18.087 -4.431 1.00 25.00 H new ATOM 0 HG12 ILE A 148 2.796 20.981 -4.741 1.00 25.00 H new ATOM 0 HG13 ILE A 148 4.304 20.213 -5.197 1.00 25.00 H new ATOM 0 HG21 ILE A 148 1.183 18.144 -5.061 1.00 25.00 H new ATOM 0 HG22 ILE A 148 1.394 17.604 -3.379 1.00 25.00 H new ATOM 0 HG23 ILE A 148 0.852 19.265 -3.720 1.00 25.00 H new ATOM 0 HD11 ILE A 148 2.946 20.641 -7.041 1.00 25.00 H new ATOM 0 HD12 ILE A 148 3.169 18.894 -6.783 1.00 25.00 H new ATOM 0 HD13 ILE A 148 1.637 19.673 -6.320 1.00 25.00 H new ATOM 2258 N LEU A 149 2.243 18.101 -0.860 1.00 25.00 N ATOM 2259 CA LEU A 149 2.123 17.017 0.095 1.00 25.00 C ATOM 2260 C LEU A 149 0.836 16.310 -0.160 1.00 25.00 C ATOM 2261 O LEU A 149 -0.181 16.836 -0.645 1.00 25.00 O ATOM 2262 CB LEU A 149 2.241 17.515 1.526 1.00 25.00 C ATOM 2263 CG LEU A 149 3.424 18.352 2.190 1.00 25.00 C ATOM 2264 CD1 LEU A 149 4.737 17.644 2.041 1.00 50.00 C ATOM 2265 CD2 LEU A 149 3.476 19.810 1.664 1.00 50.00 C ATOM 0 H LEU A 149 1.480 18.778 -0.839 1.00 25.00 H new ATOM 0 HA LEU A 149 2.946 16.314 -0.036 1.00 25.00 H new ATOM 0 HB2 LEU A 149 1.345 18.114 1.691 1.00 25.00 H new ATOM 0 HB3 LEU A 149 2.146 16.622 2.144 1.00 25.00 H new ATOM 0 HG LEU A 149 3.215 18.423 3.257 1.00 25.00 H new ATOM 0 HD11 LEU A 149 5.525 18.238 2.503 1.00 50.00 H new ATOM 0 HD12 LEU A 149 4.683 16.671 2.529 1.00 50.00 H new ATOM 0 HD13 LEU A 149 4.959 17.508 0.983 1.00 50.00 H new ATOM 0 HD21 LEU A 149 4.298 20.341 2.145 1.00 50.00 H new ATOM 0 HD22 LEU A 149 3.631 19.802 0.585 1.00 50.00 H new ATOM 0 HD23 LEU A 149 2.536 20.313 1.892 1.00 50.00 H new ATOM 2277 N ALA A 150 0.779 15.045 0.237 1.00 25.00 N ATOM 2278 CA ALA A 150 -0.453 14.299 0.294 1.00 25.00 C ATOM 2279 C ALA A 150 -0.476 13.466 1.562 1.00 25.00 C ATOM 2280 O ALA A 150 0.576 13.123 2.071 1.00 25.00 O ATOM 2281 CB ALA A 150 -0.598 13.418 -1.002 1.00 25.00 C ATOM 0 H ALA A 150 1.598 14.512 0.529 1.00 25.00 H new ATOM 0 HA ALA A 150 -1.308 14.975 0.325 1.00 25.00 H new ATOM 0 HB1 ALA A 150 -1.530 12.855 -0.957 1.00 25.00 H new ATOM 0 HB2 ALA A 150 -0.606 14.062 -1.881 1.00 25.00 H new ATOM 0 HB3 ALA A 150 0.241 12.726 -1.067 1.00 25.00 H new ATOM 2287 N VAL A 151 -1.655 13.133 2.085 1.00 25.00 N ATOM 2288 CA VAL A 151 -1.932 12.306 3.243 1.00 25.00 C ATOM 2289 C VAL A 151 -3.024 11.296 2.805 1.00 25.00 C ATOM 2290 O VAL A 151 -4.109 11.789 2.442 1.00 25.00 O ATOM 2291 CB VAL A 151 -2.362 13.210 4.451 1.00 25.00 C ATOM 2292 CG1 VAL A 151 -2.768 12.422 5.681 1.00 50.00 C ATOM 2293 CG2 VAL A 151 -1.267 14.136 4.800 1.00 50.00 C ATOM 0 H VAL A 151 -2.519 13.472 1.662 1.00 25.00 H new ATOM 0 HA VAL A 151 -1.057 11.756 3.589 1.00 25.00 H new ATOM 0 HB VAL A 151 -3.243 13.762 4.124 1.00 25.00 H new ATOM 0 HG11 VAL A 151 -3.053 13.111 6.477 1.00 50.00 H new ATOM 0 HG12 VAL A 151 -3.613 11.778 5.438 1.00 50.00 H new ATOM 0 HG13 VAL A 151 -1.930 11.810 6.014 1.00 50.00 H new ATOM 0 HG21 VAL A 151 -1.572 14.761 5.639 1.00 50.00 H new ATOM 0 HG22 VAL A 151 -0.381 13.564 5.077 1.00 50.00 H new ATOM 0 HG23 VAL A 151 -1.038 14.768 3.942 1.00 50.00 H new ATOM 2303 N TRP A 152 -2.720 10.000 2.846 1.00 25.00 N ATOM 2304 CA TRP A 152 -3.701 8.981 2.453 1.00 25.00 C ATOM 2305 C TRP A 152 -4.178 8.264 3.772 1.00 25.00 C ATOM 2306 O TRP A 152 -3.511 7.415 4.385 1.00 25.00 O ATOM 2307 CB TRP A 152 -3.054 7.999 1.570 1.00 25.00 C ATOM 2308 CG TRP A 152 -3.905 7.777 0.344 1.00 25.00 C ATOM 2309 CD1 TRP A 152 -4.845 6.832 0.160 1.00 25.00 C ATOM 2310 CD2 TRP A 152 -3.857 8.540 -0.875 1.00 25.00 C ATOM 2311 NE1 TRP A 152 -5.431 6.992 -1.099 1.00 25.00 N ATOM 2312 CE2 TRP A 152 -4.831 7.989 -1.774 1.00 25.00 C ATOM 2313 CE3 TRP A 152 -2.994 9.566 -1.355 1.00 25.00 C ATOM 2314 CZ2 TRP A 152 -4.986 8.432 -3.072 1.00 25.00 C ATOM 2315 CZ3 TRP A 152 -3.151 10.013 -2.702 1.00 25.00 C ATOM 2316 CH2 TRP A 152 -4.160 9.422 -3.516 1.00 25.00 C ATOM 0 H TRP A 152 -1.817 9.631 3.142 1.00 25.00 H new ATOM 0 HA TRP A 152 -4.543 9.429 1.925 1.00 25.00 H new ATOM 0 HB2 TRP A 152 -2.065 8.354 1.279 1.00 25.00 H new ATOM 0 HB3 TRP A 152 -2.911 7.058 2.100 1.00 25.00 H new ATOM 0 HD1 TRP A 152 -5.107 6.067 0.876 1.00 25.00 H new ATOM 0 HE1 TRP A 152 -6.205 6.431 -1.456 1.00 25.00 H new ATOM 0 HE3 TRP A 152 -2.238 9.996 -0.715 1.00 25.00 H new ATOM 0 HZ2 TRP A 152 -5.740 8.007 -3.718 1.00 25.00 H new ATOM 0 HZ3 TRP A 152 -2.513 10.789 -3.099 1.00 25.00 H new ATOM 0 HH2 TRP A 152 -4.276 9.774 -4.530 1.00 25.00 H new ATOM 2327 N ASP A 153 -5.197 8.846 4.354 1.00 25.00 N ATOM 2328 CA ASP A 153 -5.608 8.619 5.706 1.00 25.00 C ATOM 2329 C ASP A 153 -6.363 7.307 5.855 1.00 25.00 C ATOM 2330 O ASP A 153 -7.130 6.949 4.952 1.00 25.00 O ATOM 2331 CB ASP A 153 -6.406 9.780 6.292 1.00 25.00 C ATOM 2332 CG ASP A 153 -6.517 9.712 7.804 1.00 25.00 C ATOM 2333 OD1 ASP A 153 -5.422 9.548 8.379 1.00 25.00 O ATOM 2334 OD2 ASP A 153 -7.561 9.884 8.433 1.00 25.00 O1- ATOM 0 H ASP A 153 -5.787 9.522 3.869 1.00 25.00 H new ATOM 0 HA ASP A 153 -4.689 8.547 6.287 1.00 25.00 H new ATOM 0 HB2 ASP A 153 -5.933 10.720 6.009 1.00 25.00 H new ATOM 0 HB3 ASP A 153 -7.406 9.783 5.858 1.00 25.00 H new ATOM 2339 N VAL A 154 -6.174 6.588 6.904 1.00 25.00 N ATOM 2340 CA VAL A 154 -6.844 5.271 7.072 1.00 25.00 C ATOM 2341 C VAL A 154 -7.557 5.146 8.418 1.00 25.00 C ATOM 2342 O VAL A 154 -6.931 5.443 9.394 1.00 25.00 O ATOM 2343 CB VAL A 154 -5.845 4.105 6.904 1.00 25.00 C ATOM 2344 CG1 VAL A 154 -6.575 2.771 6.750 1.00 50.00 C ATOM 2345 CG2 VAL A 154 -4.878 4.360 5.654 1.00 50.00 C ATOM 0 H VAL A 154 -5.568 6.857 7.679 1.00 25.00 H new ATOM 0 HA VAL A 154 -7.597 5.213 6.286 1.00 25.00 H new ATOM 0 HB VAL A 154 -5.237 4.057 7.807 1.00 25.00 H new ATOM 0 HG11 VAL A 154 -5.846 1.969 6.634 1.00 50.00 H new ATOM 0 HG12 VAL A 154 -7.182 2.584 7.636 1.00 50.00 H new ATOM 0 HG13 VAL A 154 -7.218 2.808 5.871 1.00 50.00 H new ATOM 0 HG21 VAL A 154 -4.183 3.526 5.555 1.00 50.00 H new ATOM 0 HG22 VAL A 154 -5.473 4.446 4.745 1.00 50.00 H new ATOM 0 HG23 VAL A 154 -4.318 5.282 5.809 1.00 50.00 H new ATOM 2355 N ALA A 155 -8.847 4.858 8.464 1.00 25.00 N ATOM 2356 CA ALA A 155 -9.535 4.798 9.733 1.00 25.00 C ATOM 2357 C ALA A 155 -9.479 3.388 10.343 1.00 25.00 C ATOM 2358 O ALA A 155 -9.433 3.209 11.552 1.00 25.00 O ATOM 2359 CB ALA A 155 -10.994 5.217 9.585 1.00 25.00 C ATOM 0 H ALA A 155 -9.428 4.665 7.648 1.00 25.00 H new ATOM 0 HA ALA A 155 -9.023 5.491 10.400 1.00 25.00 H new ATOM 0 HB1 ALA A 155 -11.488 5.163 10.555 1.00 25.00 H new ATOM 0 HB2 ALA A 155 -11.043 6.239 9.210 1.00 25.00 H new ATOM 0 HB3 ALA A 155 -11.495 4.549 8.884 1.00 25.00 H new ATOM 2365 N ASP A 156 -9.378 2.381 9.501 1.00 25.00 N ATOM 2366 CA ASP A 156 -9.290 0.970 10.016 1.00 25.00 C ATOM 2367 C ASP A 156 -8.002 0.628 10.780 1.00 25.00 C ATOM 2368 O ASP A 156 -7.989 -0.297 11.586 1.00 25.00 O ATOM 2369 CB ASP A 156 -9.454 0.064 8.829 1.00 25.00 C ATOM 2370 CG ASP A 156 -9.479 -1.377 9.253 1.00 25.00 C ATOM 2371 OD1 ASP A 156 -10.293 -1.679 10.185 1.00 25.00 O ATOM 2372 OD2 ASP A 156 -8.751 -2.228 8.752 1.00 25.00 O1- ATOM 0 H ASP A 156 -9.353 2.473 8.486 1.00 25.00 H new ATOM 0 HA ASP A 156 -10.076 0.839 10.760 1.00 25.00 H new ATOM 0 HB2 ASP A 156 -10.378 0.309 8.305 1.00 25.00 H new ATOM 0 HB3 ASP A 156 -8.636 0.226 8.127 1.00 25.00 H new ATOM 2377 N THR A 157 -6.949 1.379 10.581 1.00 25.00 N ATOM 2378 CA THR A 157 -5.618 1.112 11.108 1.00 25.00 C ATOM 2379 C THR A 157 -5.016 2.240 11.929 1.00 25.00 C ATOM 2380 O THR A 157 -5.458 3.376 11.791 1.00 25.00 O ATOM 2381 CB THR A 157 -4.542 0.883 10.017 1.00 25.00 C ATOM 2382 OG1 THR A 157 -4.517 2.008 9.151 1.00 25.00 O ATOM 2383 CG2 THR A 157 -4.778 -0.352 9.063 1.00 25.00 C ATOM 0 H THR A 157 -6.989 2.233 10.024 1.00 25.00 H new ATOM 0 HA THR A 157 -5.820 0.224 11.708 1.00 25.00 H new ATOM 0 HB THR A 157 -3.626 0.708 10.582 1.00 25.00 H new ATOM 0 HG1 THR A 157 -3.783 2.604 9.409 1.00 25.00 H new ATOM 0 HG21 THR A 157 -3.964 -0.414 8.341 1.00 25.00 H new ATOM 0 HG22 THR A 157 -4.810 -1.267 9.654 1.00 25.00 H new ATOM 0 HG23 THR A 157 -5.723 -0.228 8.535 1.00 25.00 H new ATOM 2391 N GLU A 158 -4.021 1.957 12.770 1.00 25.00 N ATOM 2392 CA GLU A 158 -3.400 3.058 13.498 1.00 25.00 C ATOM 2393 C GLU A 158 -2.606 4.069 12.666 1.00 25.00 C ATOM 2394 O GLU A 158 -2.590 5.253 12.981 1.00 25.00 O ATOM 2395 CB GLU A 158 -2.416 2.471 14.563 1.00 25.00 C ATOM 2396 CG GLU A 158 -3.051 1.737 15.778 1.00 25.00 C ATOM 2397 CD GLU A 158 -1.984 1.213 16.784 1.00 25.00 C ATOM 2398 OE1 GLU A 158 -2.327 0.829 17.911 1.00 25.00 O ATOM 2399 OE2 GLU A 158 -0.791 1.203 16.348 1.00 25.00 O1- ATOM 0 H GLU A 158 -3.645 1.027 12.957 1.00 25.00 H new ATOM 0 HA GLU A 158 -4.242 3.606 13.920 1.00 25.00 H new ATOM 0 HB2 GLU A 158 -1.746 1.775 14.059 1.00 25.00 H new ATOM 0 HB3 GLU A 158 -1.801 3.287 14.943 1.00 25.00 H new ATOM 0 HG2 GLU A 158 -3.729 2.416 16.294 1.00 25.00 H new ATOM 0 HG3 GLU A 158 -3.650 0.900 15.420 1.00 25.00 H new ATOM 2406 N ASN A 159 -1.874 3.567 11.684 1.00 25.00 N ATOM 2407 CA ASN A 159 -1.033 4.379 10.824 1.00 25.00 C ATOM 2408 C ASN A 159 -1.750 4.829 9.589 1.00 25.00 C ATOM 2409 O ASN A 159 -2.706 4.194 9.214 1.00 25.00 O ATOM 2410 CB ASN A 159 0.270 3.636 10.385 1.00 25.00 C ATOM 2411 CG ASN A 159 1.238 3.429 11.561 1.00 25.00 C ATOM 2412 OD1 ASN A 159 0.835 3.213 12.693 1.00 25.00 O ATOM 2413 ND2 ASN A 159 2.531 3.596 11.295 1.00 25.00 N ATOM 0 H ASN A 159 -1.848 2.572 11.461 1.00 25.00 H new ATOM 0 HA ASN A 159 -0.768 5.246 11.430 1.00 25.00 H new ATOM 0 HB2 ASN A 159 0.009 2.669 9.956 1.00 25.00 H new ATOM 0 HB3 ASN A 159 0.768 4.208 9.602 1.00 25.00 H new ATOM 0 HD21 ASN A 159 3.217 3.545 12.048 1.00 25.00 H new ATOM 0 HD22 ASN A 159 2.836 3.775 10.338 1.00 25.00 H new ATOM 2420 N ALA A 160 -1.267 5.869 8.920 1.00 25.00 N ATOM 2421 CA ALA A 160 -1.855 6.373 7.684 1.00 25.00 C ATOM 2422 C ALA A 160 -0.559 6.677 6.828 1.00 25.00 C ATOM 2423 O ALA A 160 0.509 6.859 7.415 1.00 25.00 O ATOM 2424 CB ALA A 160 -2.670 7.664 7.848 1.00 25.00 C ATOM 0 H ALA A 160 -0.446 6.393 9.224 1.00 25.00 H new ATOM 0 HA ALA A 160 -2.567 5.665 7.258 1.00 25.00 H new ATOM 0 HB1 ALA A 160 -3.070 7.967 6.880 1.00 25.00 H new ATOM 0 HB2 ALA A 160 -3.492 7.490 8.542 1.00 25.00 H new ATOM 0 HB3 ALA A 160 -2.027 8.453 8.238 1.00 25.00 H new ATOM 2430 N PHE A 161 -0.708 6.764 5.520 1.00 25.00 N ATOM 2431 CA PHE A 161 0.399 6.927 4.568 1.00 25.00 C ATOM 2432 C PHE A 161 0.631 8.423 4.343 1.00 25.00 C ATOM 2433 O PHE A 161 -0.358 9.193 4.372 1.00 25.00 O ATOM 2434 CB PHE A 161 -0.004 6.367 3.226 1.00 25.00 C ATOM 2435 CG PHE A 161 0.079 4.860 3.196 1.00 25.00 C ATOM 2436 CD1 PHE A 161 -0.849 4.114 3.882 1.00 50.00 C ATOM 2437 CD2 PHE A 161 0.996 4.249 2.288 1.00 50.00 C ATOM 2438 CE1 PHE A 161 -0.844 2.758 3.862 1.00 25.00 C ATOM 2439 CE2 PHE A 161 1.059 2.829 2.203 1.00 25.00 C ATOM 2440 CZ PHE A 161 0.113 2.095 3.040 1.00 25.00 C ATOM 0 H PHE A 161 -1.622 6.723 5.068 1.00 25.00 H new ATOM 0 HA PHE A 161 1.282 6.424 4.962 1.00 25.00 H new ATOM 0 HB2 PHE A 161 -1.022 6.679 2.994 1.00 25.00 H new ATOM 0 HB3 PHE A 161 0.641 6.781 2.451 1.00 25.00 H new ATOM 0 HD1 PHE A 161 -1.608 4.625 4.456 1.00 50.00 H new ATOM 0 HD2 PHE A 161 1.637 4.860 1.670 1.00 50.00 H new ATOM 0 HE1 PHE A 161 -1.549 2.194 4.455 1.00 25.00 H new ATOM 0 HE2 PHE A 161 1.764 2.325 1.558 1.00 25.00 H new ATOM 0 HZ PHE A 161 0.140 1.015 3.036 1.00 25.00 H new ATOM 2450 N TYR A 162 1.819 8.865 3.988 1.00 25.00 N ATOM 2451 CA TYR A 162 1.885 10.225 3.451 1.00 25.00 C ATOM 2452 C TYR A 162 2.798 10.288 2.234 1.00 25.00 C ATOM 2453 O TYR A 162 3.681 9.445 2.147 1.00 25.00 O ATOM 2454 CB TYR A 162 2.367 11.243 4.502 1.00 25.00 C ATOM 2455 CG TYR A 162 3.770 10.978 5.022 1.00 25.00 C ATOM 2456 CD1 TYR A 162 3.958 10.259 6.206 1.00 50.00 C ATOM 2457 CD2 TYR A 162 4.907 11.511 4.418 1.00 50.00 C ATOM 2458 CE1 TYR A 162 5.261 10.031 6.744 1.00 25.00 C ATOM 2459 CE2 TYR A 162 6.228 11.239 4.903 1.00 25.00 C ATOM 2460 CZ TYR A 162 6.383 10.429 6.039 1.00 25.00 C ATOM 2461 OH TYR A 162 7.657 10.110 6.493 1.00 25.00 O ATOM 0 H TYR A 162 2.699 8.353 4.050 1.00 25.00 H new ATOM 0 HA TYR A 162 0.869 10.491 3.158 1.00 25.00 H new ATOM 0 HB2 TYR A 162 2.335 12.242 4.067 1.00 25.00 H new ATOM 0 HB3 TYR A 162 1.672 11.239 5.342 1.00 25.00 H new ATOM 0 HD1 TYR A 162 3.097 9.866 6.726 1.00 50.00 H new ATOM 0 HD2 TYR A 162 4.789 12.150 3.556 1.00 50.00 H new ATOM 0 HE1 TYR A 162 5.371 9.547 7.703 1.00 25.00 H new ATOM 0 HE2 TYR A 162 7.091 11.651 4.402 1.00 25.00 H new ATOM 0 HH TYR A 162 8.325 10.469 5.872 1.00 25.00 H new ATOM 2471 N GLN A 163 2.765 11.339 1.421 1.00 25.00 N ATOM 2472 CA GLN A 163 3.750 11.408 0.331 1.00 25.00 C ATOM 2473 C GLN A 163 4.148 12.881 0.237 1.00 25.00 C ATOM 2474 O GLN A 163 3.428 13.784 0.660 1.00 25.00 O ATOM 2475 CB GLN A 163 3.160 11.020 -1.026 1.00 25.00 C ATOM 2476 CG GLN A 163 2.732 9.599 -1.273 1.00 25.00 C ATOM 2477 CD GLN A 163 1.412 9.175 -0.585 1.00 25.00 C ATOM 2478 OE1 GLN A 163 0.388 9.915 -0.543 1.00 25.00 O ATOM 2479 NE2 GLN A 163 1.434 7.966 0.053 1.00 25.00 N ATOM 0 H GLN A 163 2.109 12.118 1.481 1.00 25.00 H new ATOM 0 HA GLN A 163 4.571 10.724 0.545 1.00 25.00 H new ATOM 0 HB2 GLN A 163 2.292 11.656 -1.198 1.00 25.00 H new ATOM 0 HB3 GLN A 163 3.898 11.275 -1.787 1.00 25.00 H new ATOM 0 HG2 GLN A 163 2.626 9.451 -2.348 1.00 25.00 H new ATOM 0 HG3 GLN A 163 3.527 8.934 -0.937 1.00 25.00 H new ATOM 0 HE21 GLN A 163 2.269 7.381 0.009 1.00 25.00 H new ATOM 0 HE22 GLN A 163 0.616 7.649 0.573 1.00 25.00 H new ATOM 2488 N VAL A 164 5.349 13.031 -0.232 1.00 25.00 N ATOM 2489 CA VAL A 164 5.943 14.337 -0.573 1.00 25.00 C ATOM 2490 C VAL A 164 6.645 14.412 -1.950 1.00 25.00 C ATOM 2491 O VAL A 164 7.426 13.521 -2.300 1.00 25.00 O ATOM 2492 CB VAL A 164 6.910 14.746 0.593 1.00 25.00 C ATOM 2493 CG1 VAL A 164 7.793 13.565 1.000 1.00 75.00 C ATOM 2494 CG2 VAL A 164 7.739 15.979 0.203 1.00 75.00 C ATOM 0 H VAL A 164 5.977 12.246 -0.401 1.00 25.00 H new ATOM 0 HA VAL A 164 5.122 15.046 -0.677 1.00 25.00 H new ATOM 0 HB VAL A 164 6.314 15.020 1.463 1.00 25.00 H new ATOM 0 HG11 VAL A 164 8.456 13.869 1.810 1.00 75.00 H new ATOM 0 HG12 VAL A 164 7.165 12.740 1.336 1.00 75.00 H new ATOM 0 HG13 VAL A 164 8.388 13.244 0.145 1.00 75.00 H new ATOM 0 HG21 VAL A 164 8.403 16.246 1.025 1.00 75.00 H new ATOM 0 HG22 VAL A 164 8.332 15.753 -0.683 1.00 75.00 H new ATOM 0 HG23 VAL A 164 7.071 16.814 -0.010 1.00 75.00 H new ATOM 2504 N ILE A 165 6.382 15.432 -2.709 1.00 25.00 N ATOM 2505 CA ILE A 165 7.082 15.739 -3.996 1.00 25.00 C ATOM 2506 C ILE A 165 7.381 17.212 -3.976 1.00 25.00 C ATOM 2507 O ILE A 165 6.601 18.058 -3.598 1.00 25.00 O ATOM 2508 CB ILE A 165 6.204 15.320 -5.273 1.00 25.00 C ATOM 2509 CG1 ILE A 165 6.009 13.791 -5.202 1.00 25.00 C ATOM 2510 CG2 ILE A 165 6.847 15.682 -6.566 1.00 25.00 C ATOM 2511 CD1 ILE A 165 5.147 13.159 -6.187 1.00 25.00 C ATOM 0 H ILE A 165 5.661 16.114 -2.476 1.00 25.00 H new ATOM 0 HA ILE A 165 8.001 15.160 -4.084 1.00 25.00 H new ATOM 0 HB ILE A 165 5.258 15.860 -5.243 1.00 25.00 H new ATOM 0 HG12 ILE A 165 6.993 13.327 -5.275 1.00 25.00 H new ATOM 0 HG13 ILE A 165 5.616 13.552 -4.214 1.00 25.00 H new ATOM 0 HG21 ILE A 165 6.205 15.373 -7.391 1.00 25.00 H new ATOM 0 HG22 ILE A 165 6.998 16.761 -6.608 1.00 25.00 H new ATOM 0 HG23 ILE A 165 7.810 15.178 -6.647 1.00 25.00 H new ATOM 0 HD11 ILE A 165 5.112 12.085 -6.004 1.00 25.00 H new ATOM 0 HD12 ILE A 165 4.142 13.573 -6.110 1.00 25.00 H new ATOM 0 HD13 ILE A 165 5.540 13.345 -7.187 1.00 25.00 H new ATOM 2523 N ASP A 166 8.588 17.627 -4.373 1.00 25.00 N ATOM 2524 CA ASP A 166 8.914 19.052 -4.372 1.00 25.00 C ATOM 2525 C ASP A 166 8.797 19.386 -5.861 1.00 25.00 C ATOM 2526 O ASP A 166 9.005 18.516 -6.726 1.00 25.00 O ATOM 2527 CB ASP A 166 10.398 19.108 -3.929 1.00 25.00 C ATOM 2528 CG ASP A 166 10.867 20.474 -3.457 1.00 25.00 C ATOM 2529 OD1 ASP A 166 11.653 20.468 -2.519 1.00 25.00 O ATOM 2530 OD2 ASP A 166 10.493 21.537 -3.958 1.00 25.00 O1- ATOM 0 H ASP A 166 9.337 17.012 -4.691 1.00 25.00 H new ATOM 0 HA ASP A 166 8.313 19.710 -3.744 1.00 25.00 H new ATOM 0 HB2 ASP A 166 10.551 18.388 -3.125 1.00 25.00 H new ATOM 0 HB3 ASP A 166 11.024 18.792 -4.763 1.00 25.00 H new ATOM 2535 N VAL A 167 8.440 20.608 -6.221 1.00 25.00 N ATOM 2536 CA VAL A 167 8.271 20.984 -7.636 1.00 25.00 C ATOM 2537 C VAL A 167 8.726 22.415 -7.787 1.00 25.00 C ATOM 2538 O VAL A 167 8.772 23.103 -6.741 1.00 25.00 O ATOM 2539 CB VAL A 167 6.760 20.865 -8.111 1.00 25.00 C ATOM 2540 CG1 VAL A 167 6.210 19.450 -8.076 1.00 50.00 C ATOM 2541 CG2 VAL A 167 5.839 21.825 -7.354 1.00 50.00 C ATOM 0 H VAL A 167 8.259 21.364 -5.561 1.00 25.00 H new ATOM 0 HA VAL A 167 8.859 20.304 -8.253 1.00 25.00 H new ATOM 0 HB VAL A 167 6.776 21.160 -9.160 1.00 25.00 H new ATOM 0 HG11 VAL A 167 5.174 19.454 -8.415 1.00 50.00 H new ATOM 0 HG12 VAL A 167 6.804 18.813 -8.731 1.00 50.00 H new ATOM 0 HG13 VAL A 167 6.257 19.066 -7.057 1.00 50.00 H new ATOM 0 HG21 VAL A 167 4.817 21.707 -7.713 1.00 50.00 H new ATOM 0 HG22 VAL A 167 5.877 21.601 -6.288 1.00 50.00 H new ATOM 0 HG23 VAL A 167 6.166 22.851 -7.521 1.00 50.00 H new ATOM 2551 N ASP A 168 8.907 22.873 -9.020 1.00 25.00 N ATOM 2552 CA ASP A 168 9.287 24.231 -9.279 1.00 25.00 C ATOM 2553 C ASP A 168 8.353 24.683 -10.392 1.00 25.00 C ATOM 2554 O ASP A 168 8.124 23.971 -11.328 1.00 25.00 O ATOM 2555 CB ASP A 168 10.786 24.295 -9.724 1.00 25.00 C ATOM 2556 CG ASP A 168 11.181 25.714 -10.207 1.00 25.00 C ATOM 2557 OD1 ASP A 168 11.981 25.923 -11.202 1.00 25.00 O ATOM 2558 OD2 ASP A 168 10.590 26.679 -9.579 1.00 25.00 O1- ATOM 0 H ASP A 168 8.791 22.304 -9.858 1.00 25.00 H new ATOM 0 HA ASP A 168 9.204 24.872 -8.401 1.00 25.00 H new ATOM 0 HB2 ASP A 168 11.426 24.003 -8.891 1.00 25.00 H new ATOM 0 HB3 ASP A 168 10.959 23.577 -10.525 1.00 25.00 H new ATOM 2563 N LEU A 169 7.776 25.862 -10.214 1.00 25.00 N ATOM 2564 CA LEU A 169 6.644 26.318 -10.957 1.00 25.00 C ATOM 2565 C LEU A 169 7.002 27.689 -11.569 1.00 25.00 C ATOM 2566 O LEU A 169 7.402 28.584 -10.841 1.00 25.00 O ATOM 2567 CB LEU A 169 5.409 26.385 -10.020 1.00 25.00 C ATOM 2568 CG LEU A 169 4.939 25.072 -9.342 1.00 25.00 C ATOM 2569 CD1 LEU A 169 3.696 25.343 -8.520 1.00 50.00 C ATOM 2570 CD2 LEU A 169 4.768 23.876 -10.364 1.00 50.00 C ATOM 0 H LEU A 169 8.104 26.538 -9.524 1.00 25.00 H new ATOM 0 HA LEU A 169 6.389 25.635 -11.768 1.00 25.00 H new ATOM 0 HB2 LEU A 169 5.625 27.108 -9.234 1.00 25.00 H new ATOM 0 HB3 LEU A 169 4.573 26.781 -10.597 1.00 25.00 H new ATOM 0 HG LEU A 169 5.723 24.734 -8.665 1.00 25.00 H new ATOM 0 HD11 LEU A 169 3.366 24.420 -8.044 1.00 50.00 H new ATOM 0 HD12 LEU A 169 3.921 26.086 -7.755 1.00 50.00 H new ATOM 0 HD13 LEU A 169 2.905 25.719 -9.169 1.00 50.00 H new ATOM 0 HD21 LEU A 169 4.438 22.985 -9.830 1.00 50.00 H new ATOM 0 HD22 LEU A 169 4.026 24.144 -11.117 1.00 50.00 H new ATOM 0 HD23 LEU A 169 5.722 23.674 -10.851 1.00 50.00 H new ATOM 2582 N VAL A 170 7.036 27.817 -12.911 1.00 25.00 N ATOM 2583 CA VAL A 170 7.536 28.990 -13.605 1.00 25.00 C ATOM 2584 C VAL A 170 6.626 29.664 -14.595 1.00 25.00 C ATOM 2585 O VAL A 170 5.725 28.997 -15.132 1.00 25.00 O ATOM 2586 CB VAL A 170 8.970 28.699 -14.254 1.00 25.00 C ATOM 2587 CG1 VAL A 170 10.064 28.268 -13.144 1.00 50.00 C ATOM 2588 CG2 VAL A 170 8.816 27.651 -15.352 1.00 50.00 C ATOM 0 H VAL A 170 6.707 27.086 -13.542 1.00 25.00 H new ATOM 0 HA VAL A 170 7.609 29.729 -12.807 1.00 25.00 H new ATOM 0 HB VAL A 170 9.352 29.619 -14.698 1.00 25.00 H new ATOM 0 HG11 VAL A 170 11.021 28.081 -13.630 1.00 50.00 H new ATOM 0 HG12 VAL A 170 10.178 29.070 -12.415 1.00 50.00 H new ATOM 0 HG13 VAL A 170 9.731 27.362 -12.637 1.00 50.00 H new ATOM 0 HG21 VAL A 170 9.789 27.447 -15.799 1.00 50.00 H new ATOM 0 HG22 VAL A 170 8.413 26.733 -14.925 1.00 50.00 H new ATOM 0 HG23 VAL A 170 8.135 28.024 -16.118 1.00 50.00 H new ATOM 2598 N ASN A 171 6.903 30.929 -14.979 1.00 25.00 N ATOM 2599 CA ASN A 171 6.312 31.639 -16.122 1.00 25.00 C ATOM 2600 C ASN A 171 6.854 30.991 -17.412 1.00 25.00 C ATOM 2601 O ASN A 171 7.931 30.388 -17.431 1.00 25.00 O ATOM 2602 CB ASN A 171 6.769 33.114 -16.117 1.00 25.00 C ATOM 2603 CG ASN A 171 6.425 33.929 -14.859 1.00 25.00 C ATOM 2604 OD1 ASN A 171 6.902 33.715 -13.762 1.00 25.00 O ATOM 2605 ND2 ASN A 171 5.684 34.938 -15.060 1.00 25.00 N ATOM 0 H ASN A 171 7.576 31.505 -14.474 1.00 25.00 H new ATOM 0 HA ASN A 171 5.225 31.585 -16.064 1.00 25.00 H new ATOM 0 HB2 ASN A 171 7.850 33.138 -16.255 1.00 25.00 H new ATOM 0 HB3 ASN A 171 6.326 33.612 -16.979 1.00 25.00 H new ATOM 0 HD21 ASN A 171 5.482 35.582 -14.296 1.00 25.00 H new ATOM 0 HD22 ASN A 171 5.290 35.105 -15.986 1.00 25.00 H new ATOM 2612 N LYS A 172 6.190 31.192 -18.545 1.00 25.00 N ATOM 2613 CA LYS A 172 6.575 30.578 -19.791 1.00 25.00 C ATOM 2614 C LYS A 172 7.637 31.262 -20.633 1.00 25.00 C ATOM 2615 O LYS A 172 8.295 30.593 -21.483 1.00 25.00 O ATOM 2616 CB LYS A 172 5.362 30.362 -20.698 1.00 25.00 C ATOM 2617 CG LYS A 172 4.355 29.351 -20.128 1.00 25.00 C ATOM 2618 CD LYS A 172 3.201 29.083 -20.980 1.00 25.00 C ATOM 2619 CE LYS A 172 2.318 28.015 -20.347 1.00 25.00 C ATOM 2620 NZ LYS A 172 1.378 27.406 -21.426 1.00 25.00 N1+ ATOM 2621 OXT LYS A 172 7.784 32.508 -20.530 1.00 25.00 O1- ATOM 0 H LYS A 172 5.367 31.790 -18.615 1.00 25.00 H new ATOM 0 HA LYS A 172 7.028 29.653 -19.435 1.00 25.00 H new ATOM 0 HB2 LYS A 172 4.860 31.316 -20.856 1.00 25.00 H new ATOM 0 HB3 LYS A 172 5.703 30.016 -21.674 1.00 25.00 H new ATOM 0 HG2 LYS A 172 4.874 28.411 -19.939 1.00 25.00 H new ATOM 0 HG3 LYS A 172 3.999 29.718 -19.165 1.00 25.00 H new ATOM 0 HD2 LYS A 172 2.628 29.998 -21.128 1.00 25.00 H new ATOM 0 HD3 LYS A 172 3.535 28.753 -21.964 1.00 25.00 H new ATOM 0 HE2 LYS A 172 2.936 27.233 -19.906 1.00 25.00 H new ATOM 0 HE3 LYS A 172 1.728 28.449 -19.540 1.00 25.00 H new ATOM 0 HZ1 LYS A 172 0.777 26.677 -20.991 1.00 25.00 H new ATOM 0 HZ2 LYS A 172 0.779 28.155 -21.827 1.00 25.00 H new ATOM 0 HZ3 LYS A 172 1.949 26.977 -22.182 1.00 25.00 H new