USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 919 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 59 MET CE :methyl -179:sc= 0 (180deg=0) USER MOD Set 1.2: A 90 SER OG : rot 180:sc= -0.405 USER MOD Set 2.1: A 51 THR OG1 : rot 166:sc= 0.357 USER MOD Set 2.2: A 97 MET CE :methyl -137:sc= -0.223 (180deg=-0.976) USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= -0.664 F(o=-2.6,f=-0.093) USER MOD Set 3.2: A 28 THR OG1 : rot -142:sc= 0.571 USER MOD Set 4.1: A 13 SER OG : rot 180:sc= -0.976 USER MOD Set 4.2: A 92 ASN : amide:sc= -3.94! C(o=-4.9!,f=-5.6!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS :FLIP no HD1:sc= -1.22 F(o=-2.5,f=-1.2) USER MOD Single : A 4 SER OG : rot 41:sc= 0.159 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -4:sc= 0.795 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0412 USER MOD Single : A 32 THR OG1 : rot 81:sc= 0.00529 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.58 F(o=-4,f=-1.6) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 18:sc= 0.818 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= -0.0736 (180deg=-0.441) USER MOD Single : A 49 GLN :FLIP amide:sc= 0.0148 F(o=-1,f=0.015) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 39:sc= -0.909 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -159:sc= -4.66 (180deg=-5.08!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.056) USER MOD Single : A 73 LYS NZ :NH3+ -118:sc= -2.94! (180deg=-6.1!) USER MOD Single : A 75 ASN : amide:sc= -0.0794 X(o=-0.079,f=-0.089) USER MOD Single : A 78 ASN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -162:sc= -0.11 (180deg=-0.524) USER MOD Single : A 93 ASN : amide:sc= -0.0601 X(o=-0.06,f=-0.11) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 99 ASN : amide:sc= -1.49 K(o=-1.5,f=-3.1!) USER MOD Single : A 101 LYS NZ :NH3+ 159:sc= -0.266 (180deg=-0.801) USER MOD Single : A 102 MET CE :methyl -128:sc= -0.514 (180deg=-4.67!) USER MOD Single : A 103 THR OG1 : rot 89:sc= 0.198 USER MOD Single : A 105 GLN : amide:sc= -1.15 X(o=-1.1,f=-0.82) USER MOD Single : A 106 GLN : amide:sc= -0.0062 K(o=-0.0062,f=-2.6!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 120:sc= -1.06 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -14.889 8.954 7.713 1.00 0.00 N ATOM 2 CA PRO A 1 -13.655 8.144 7.709 1.00 0.00 C ATOM 3 C PRO A 1 -13.014 8.092 6.323 1.00 0.00 C ATOM 4 O PRO A 1 -13.131 7.093 5.611 1.00 0.00 O ATOM 5 CB PRO A 1 -14.052 6.747 8.173 1.00 0.00 C ATOM 6 CG PRO A 1 -15.547 6.721 8.060 1.00 0.00 C ATOM 7 CD PRO A 1 -16.029 8.153 8.183 1.00 0.00 C ATOM 0 H2 PRO A 1 -15.076 9.304 6.773 1.00 0.00 H new ATOM 0 H3 PRO A 1 -14.766 9.768 8.315 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.910 8.586 8.370 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.594 5.978 7.551 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -13.729 6.563 9.198 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -15.854 6.292 7.106 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.982 6.100 8.843 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -16.917 8.329 7.576 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -16.292 8.399 9.212 1.00 0.00 H new ATOM 17 N SER A 2 -12.339 9.173 5.948 1.00 0.00 N ATOM 18 CA SER A 2 -11.681 9.251 4.649 1.00 0.00 C ATOM 19 C SER A 2 -10.183 9.488 4.812 1.00 0.00 C ATOM 20 O SER A 2 -9.747 10.126 5.769 1.00 0.00 O ATOM 21 CB SER A 2 -12.297 10.369 3.807 1.00 0.00 C ATOM 22 OG SER A 2 -13.686 10.161 3.621 1.00 0.00 O ATOM 0 H SER A 2 -12.233 10.007 6.525 1.00 0.00 H new ATOM 0 HA SER A 2 -11.827 8.299 4.138 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.132 11.329 4.295 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.800 10.415 2.838 1.00 0.00 H new ATOM 0 HG SER A 2 -14.057 10.890 3.081 1.00 0.00 H new ATOM 28 N HIS A 3 -9.401 8.970 3.869 1.00 0.00 N ATOM 29 CA HIS A 3 -7.952 9.127 3.908 1.00 0.00 C ATOM 30 C HIS A 3 -7.367 8.499 5.171 1.00 0.00 C ATOM 31 O HIS A 3 -6.317 8.921 5.654 1.00 0.00 O ATOM 32 CB HIS A 3 -7.575 10.608 3.841 1.00 0.00 C ATOM 33 CG HIS A 3 -7.608 11.170 2.454 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.663 11.192 1.485 1.00 0.00 N flip ATOM 35 CD2 HIS A 3 -8.712 11.806 1.924 1.00 0.00 C flip ATOM 36 CE1 HIS A 3 -7.207 11.832 0.400 1.00 0.00 C flip ATOM 37 NE2 HIS A 3 -8.444 12.192 0.690 1.00 0.00 N flip ATOM 0 H HIS A 3 -9.747 8.439 3.070 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.535 8.613 3.042 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -8.258 11.177 4.472 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.575 10.739 4.254 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.649 11.963 2.438 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.705 12.012 -0.539 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -9.084 12.685 0.067 1.00 0.00 H new ATOM 46 N SER A 4 -8.053 7.491 5.699 1.00 0.00 N ATOM 47 CA SER A 4 -7.601 6.807 6.905 1.00 0.00 C ATOM 48 C SER A 4 -8.566 5.692 7.294 1.00 0.00 C ATOM 49 O SER A 4 -9.750 5.932 7.525 1.00 0.00 O ATOM 50 CB SER A 4 -7.458 7.800 8.060 1.00 0.00 C ATOM 51 OG SER A 4 -8.654 8.536 8.251 1.00 0.00 O ATOM 0 H SER A 4 -8.924 7.130 5.311 1.00 0.00 H new ATOM 0 HA SER A 4 -6.628 6.363 6.695 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.207 7.264 8.975 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.635 8.485 7.855 1.00 0.00 H new ATOM 0 HG SER A 4 -9.425 7.940 8.145 1.00 0.00 H new ATOM 57 N GLY A 5 -8.046 4.472 7.363 1.00 0.00 N ATOM 58 CA GLY A 5 -8.865 3.331 7.725 1.00 0.00 C ATOM 59 C GLY A 5 -8.029 2.172 8.219 1.00 0.00 C ATOM 60 O GLY A 5 -6.857 2.051 7.864 1.00 0.00 O ATOM 0 H GLY A 5 -7.068 4.252 7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.574 3.624 8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.450 3.015 6.861 1.00 0.00 H new ATOM 64 N ALA A 6 -8.622 1.317 9.045 1.00 0.00 N ATOM 65 CA ALA A 6 -7.905 0.172 9.582 1.00 0.00 C ATOM 66 C ALA A 6 -7.559 -0.828 8.489 1.00 0.00 C ATOM 67 O ALA A 6 -8.370 -1.112 7.609 1.00 0.00 O ATOM 68 CB ALA A 6 -8.709 -0.508 10.674 1.00 0.00 C ATOM 0 H ALA A 6 -9.591 1.396 9.354 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.975 0.544 10.012 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.151 -1.361 11.059 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.895 0.199 11.483 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.660 -0.851 10.266 1.00 0.00 H new ATOM 74 N ALA A 7 -6.346 -1.358 8.557 1.00 0.00 N ATOM 75 CA ALA A 7 -5.883 -2.330 7.576 1.00 0.00 C ATOM 76 C ALA A 7 -4.819 -3.258 8.158 1.00 0.00 C ATOM 77 O ALA A 7 -4.040 -2.858 9.022 1.00 0.00 O ATOM 78 CB ALA A 7 -5.341 -1.615 6.349 1.00 0.00 C ATOM 0 H ALA A 7 -5.664 -1.131 9.281 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.736 -2.945 7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.997 -2.350 5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.129 -1.006 5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.508 -0.975 6.639 1.00 0.00 H new ATOM 84 N ILE A 8 -4.789 -4.501 7.675 1.00 0.00 N ATOM 85 CA ILE A 8 -3.819 -5.483 8.144 1.00 0.00 C ATOM 86 C ILE A 8 -2.614 -5.555 7.222 1.00 0.00 C ATOM 87 O ILE A 8 -2.742 -5.465 6.000 1.00 0.00 O ATOM 88 CB ILE A 8 -4.428 -6.890 8.214 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.743 -6.873 8.974 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.460 -7.879 8.855 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.547 -8.122 8.738 1.00 0.00 C ATOM 0 H ILE A 8 -5.427 -4.849 6.959 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.516 -5.156 9.139 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.622 -7.216 7.192 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.544 -6.766 10.040 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.326 -6.004 8.670 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.920 -8.867 8.891 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.544 -7.926 8.266 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.223 -7.552 9.868 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.479 -8.067 9.301 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.770 -8.216 7.675 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.976 -8.990 9.067 1.00 0.00 H new ATOM 103 N PHE A 9 -1.449 -5.749 7.817 1.00 0.00 N ATOM 104 CA PHE A 9 -0.216 -5.872 7.062 1.00 0.00 C ATOM 105 C PHE A 9 0.716 -6.864 7.747 1.00 0.00 C ATOM 106 O PHE A 9 1.298 -6.567 8.788 1.00 0.00 O ATOM 107 CB PHE A 9 0.464 -4.511 6.910 1.00 0.00 C ATOM 108 CG PHE A 9 1.747 -4.568 6.133 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.769 -5.071 4.842 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.930 -4.120 6.692 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.947 -5.126 4.124 1.00 0.00 C ATOM 112 CE2 PHE A 9 4.112 -4.170 5.981 1.00 0.00 C ATOM 113 CZ PHE A 9 4.122 -4.673 4.694 1.00 0.00 C ATOM 0 H PHE A 9 -1.332 -5.825 8.827 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.453 -6.243 6.065 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.222 -3.824 6.414 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.665 -4.101 7.900 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.853 -5.424 4.392 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.929 -3.726 7.698 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.950 -5.522 3.119 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.028 -3.816 6.430 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.045 -4.712 4.135 1.00 0.00 H new ATOM 123 N GLU A 10 0.840 -8.049 7.154 1.00 0.00 N ATOM 124 CA GLU A 10 1.685 -9.107 7.692 1.00 0.00 C ATOM 125 C GLU A 10 1.007 -9.816 8.866 1.00 0.00 C ATOM 126 O GLU A 10 1.612 -10.010 9.920 1.00 0.00 O ATOM 127 CB GLU A 10 3.042 -8.549 8.125 1.00 0.00 C ATOM 128 CG GLU A 10 3.722 -7.704 7.060 1.00 0.00 C ATOM 129 CD GLU A 10 5.109 -7.250 7.471 1.00 0.00 C ATOM 130 OE1 GLU A 10 5.454 -7.395 8.663 1.00 0.00 O ATOM 131 OE2 GLU A 10 5.852 -6.749 6.600 1.00 0.00 O ATOM 0 H GLU A 10 0.359 -8.300 6.290 1.00 0.00 H new ATOM 0 HA GLU A 10 1.843 -9.838 6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.908 -7.947 9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.697 -9.378 8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.791 -8.278 6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.106 -6.830 6.847 1.00 0.00 H new ATOM 138 N LYS A 11 -0.246 -10.226 8.664 1.00 0.00 N ATOM 139 CA LYS A 11 -1.000 -10.938 9.681 1.00 0.00 C ATOM 140 C LYS A 11 -1.214 -10.109 10.946 1.00 0.00 C ATOM 141 O LYS A 11 -1.629 -10.638 11.976 1.00 0.00 O ATOM 142 CB LYS A 11 -0.287 -12.239 10.006 1.00 0.00 C ATOM 143 CG LYS A 11 -0.628 -13.360 9.044 1.00 0.00 C ATOM 144 CD LYS A 11 0.428 -14.452 9.061 1.00 0.00 C ATOM 145 CE LYS A 11 0.415 -15.220 10.373 1.00 0.00 C ATOM 146 NZ LYS A 11 -0.500 -16.395 10.320 1.00 0.00 N ATOM 0 H LYS A 11 -0.758 -10.072 7.795 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.993 -11.144 9.281 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.790 -12.070 9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.547 -12.546 11.019 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.596 -13.785 9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.721 -12.959 8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.254 -15.140 8.234 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.412 -14.010 8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.425 -15.557 10.607 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.106 -14.555 11.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.480 -16.892 11.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.469 -16.072 10.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.191 -17.042 9.567 1.00 0.00 H new ATOM 160 N VAL A 12 -0.964 -8.806 10.861 1.00 0.00 N ATOM 161 CA VAL A 12 -1.168 -7.923 11.988 1.00 0.00 C ATOM 162 C VAL A 12 -2.087 -6.787 11.569 1.00 0.00 C ATOM 163 O VAL A 12 -1.991 -6.290 10.449 1.00 0.00 O ATOM 164 CB VAL A 12 0.163 -7.361 12.528 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.083 -6.376 13.663 1.00 0.00 C ATOM 166 CG2 VAL A 12 1.069 -8.494 12.988 1.00 0.00 C ATOM 0 H VAL A 12 -0.620 -8.344 10.019 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.625 -8.496 12.794 1.00 0.00 H new ATOM 0 HB VAL A 12 0.661 -6.825 11.719 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.871 -5.994 14.026 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.691 -5.547 13.300 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.605 -6.881 14.476 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.004 -8.081 13.366 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.574 -9.057 13.780 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.278 -9.156 12.148 1.00 0.00 H new ATOM 176 N SER A 13 -2.998 -6.399 12.449 1.00 0.00 N ATOM 177 CA SER A 13 -3.946 -5.342 12.128 1.00 0.00 C ATOM 178 C SER A 13 -3.565 -4.024 12.780 1.00 0.00 C ATOM 179 O SER A 13 -3.022 -3.989 13.885 1.00 0.00 O ATOM 180 CB SER A 13 -5.358 -5.747 12.555 1.00 0.00 C ATOM 181 OG SER A 13 -5.616 -7.105 12.243 1.00 0.00 O ATOM 0 H SER A 13 -3.101 -6.796 13.383 1.00 0.00 H new ATOM 0 HA SER A 13 -3.922 -5.199 11.048 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.477 -5.588 13.627 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.089 -5.111 12.056 1.00 0.00 H new ATOM 0 HG SER A 13 -6.524 -7.339 12.528 1.00 0.00 H new ATOM 187 N GLY A 14 -3.865 -2.942 12.078 1.00 0.00 N ATOM 188 CA GLY A 14 -3.569 -1.617 12.571 1.00 0.00 C ATOM 189 C GLY A 14 -4.277 -0.554 11.758 1.00 0.00 C ATOM 190 O GLY A 14 -4.999 -0.871 10.812 1.00 0.00 O ATOM 0 H GLY A 14 -4.315 -2.962 11.163 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.871 -1.540 13.615 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.493 -1.447 12.537 1.00 0.00 H new ATOM 194 N ILE A 15 -4.080 0.706 12.117 1.00 0.00 N ATOM 195 CA ILE A 15 -4.714 1.799 11.400 1.00 0.00 C ATOM 196 C ILE A 15 -3.817 2.319 10.287 1.00 0.00 C ATOM 197 O ILE A 15 -2.649 2.642 10.505 1.00 0.00 O ATOM 198 CB ILE A 15 -5.100 2.945 12.357 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.157 2.439 13.350 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.598 4.158 11.575 1.00 0.00 C ATOM 201 CD1 ILE A 15 -7.472 3.194 13.312 1.00 0.00 C ATOM 0 H ILE A 15 -3.489 0.995 12.897 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.627 1.408 10.950 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.221 3.265 12.917 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.352 1.386 13.148 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.748 2.499 14.358 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.865 4.954 12.270 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.811 4.508 10.907 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.474 3.879 10.989 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.157 2.769 14.045 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.296 4.244 13.546 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.909 3.113 12.317 1.00 0.00 H new ATOM 213 N ILE A 16 -4.379 2.384 9.087 1.00 0.00 N ATOM 214 CA ILE A 16 -3.653 2.847 7.918 1.00 0.00 C ATOM 215 C ILE A 16 -4.032 4.290 7.586 1.00 0.00 C ATOM 216 O ILE A 16 -5.191 4.589 7.303 1.00 0.00 O ATOM 217 CB ILE A 16 -3.944 1.919 6.707 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.770 0.962 6.481 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.238 2.724 5.442 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.870 0.153 5.203 1.00 0.00 C ATOM 0 H ILE A 16 -5.346 2.118 8.900 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.586 2.815 8.137 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.835 1.335 6.936 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.844 1.537 6.463 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.704 0.278 7.327 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.437 2.042 4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.110 3.357 5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.377 3.347 5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.001 -0.500 5.117 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.777 -0.451 5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.904 0.827 4.347 1.00 0.00 H new ATOM 232 N ALA A 17 -3.044 5.176 7.620 1.00 0.00 N ATOM 233 CA ALA A 17 -3.271 6.585 7.321 1.00 0.00 C ATOM 234 C ALA A 17 -2.559 6.987 6.035 1.00 0.00 C ATOM 235 O ALA A 17 -1.461 6.510 5.749 1.00 0.00 O ATOM 236 CB ALA A 17 -2.805 7.453 8.480 1.00 0.00 C ATOM 0 H ALA A 17 -2.078 4.944 7.852 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.341 6.737 7.179 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.981 8.502 8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.360 7.187 9.380 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.740 7.293 8.649 1.00 0.00 H new ATOM 242 N ILE A 18 -3.187 7.864 5.262 1.00 0.00 N ATOM 243 CA ILE A 18 -2.610 8.323 4.010 1.00 0.00 C ATOM 244 C ILE A 18 -1.954 9.690 4.188 1.00 0.00 C ATOM 245 O ILE A 18 -2.628 10.685 4.453 1.00 0.00 O ATOM 246 CB ILE A 18 -3.687 8.383 2.897 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.633 7.116 2.042 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.518 9.619 2.026 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.859 6.920 1.177 1.00 0.00 C ATOM 0 H ILE A 18 -4.096 8.270 5.482 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.844 7.608 3.709 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.664 8.447 3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.750 7.155 1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.516 6.251 2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.289 9.630 1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.608 10.514 2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.535 9.601 1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.753 6.003 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.743 6.849 1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.965 7.767 0.499 1.00 0.00 H new ATOM 261 N ASN A 19 -0.634 9.731 4.038 1.00 0.00 N ATOM 262 CA ASN A 19 0.113 10.975 4.180 1.00 0.00 C ATOM 263 C ASN A 19 0.516 11.522 2.818 1.00 0.00 C ATOM 264 O ASN A 19 1.378 10.962 2.140 1.00 0.00 O ATOM 265 CB ASN A 19 1.356 10.753 5.042 1.00 0.00 C ATOM 266 CG ASN A 19 1.011 10.378 6.470 1.00 0.00 C ATOM 267 OD1 ASN A 19 2.002 9.897 7.211 1.00 0.00 O flip ATOM 268 ND2 ASN A 19 -0.132 10.520 6.902 1.00 0.00 N flip ATOM 0 H ASN A 19 -0.060 8.917 3.818 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.533 11.705 4.669 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.965 9.965 4.600 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.960 11.660 5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.863 10.894 6.297 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.349 10.264 7.865 1.00 0.00 H new ATOM 275 N GLU A 20 -0.108 12.625 2.425 1.00 0.00 N ATOM 276 CA GLU A 20 0.187 13.258 1.146 1.00 0.00 C ATOM 277 C GLU A 20 0.923 14.580 1.350 1.00 0.00 C ATOM 278 O GLU A 20 1.371 15.205 0.387 1.00 0.00 O ATOM 279 CB GLU A 20 -1.103 13.494 0.359 1.00 0.00 C ATOM 280 CG GLU A 20 -1.847 12.214 0.012 1.00 0.00 C ATOM 281 CD GLU A 20 -3.083 12.467 -0.830 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.493 13.642 -0.949 1.00 0.00 O ATOM 283 OE2 GLU A 20 -3.642 11.489 -1.371 1.00 0.00 O ATOM 0 H GLU A 20 -0.823 13.101 2.975 1.00 0.00 H new ATOM 0 HA GLU A 20 0.832 12.588 0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.760 14.140 0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.865 14.027 -0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.177 11.543 -0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.136 11.706 0.932 1.00 0.00 H new ATOM 290 N ASP A 21 1.047 15.003 2.605 1.00 0.00 N ATOM 291 CA ASP A 21 1.728 16.247 2.931 1.00 0.00 C ATOM 292 C ASP A 21 3.179 16.218 2.465 1.00 0.00 C ATOM 293 O ASP A 21 3.810 17.264 2.309 1.00 0.00 O ATOM 294 CB ASP A 21 1.669 16.507 4.435 1.00 0.00 C ATOM 295 CG ASP A 21 0.257 16.772 4.923 1.00 0.00 C ATOM 296 OD1 ASP A 21 -0.618 17.060 4.079 1.00 0.00 O ATOM 297 OD2 ASP A 21 0.027 16.691 6.148 1.00 0.00 O ATOM 0 H ASP A 21 0.683 14.499 3.413 1.00 0.00 H new ATOM 0 HA ASP A 21 1.216 17.055 2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.078 15.647 4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.301 17.362 4.678 1.00 0.00 H new ATOM 302 N VAL A 22 3.708 15.019 2.245 1.00 0.00 N ATOM 303 CA VAL A 22 5.079 14.871 1.800 1.00 0.00 C ATOM 304 C VAL A 22 5.144 14.734 0.281 1.00 0.00 C ATOM 305 O VAL A 22 4.193 15.075 -0.424 1.00 0.00 O ATOM 306 CB VAL A 22 5.767 13.665 2.486 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.534 12.372 1.717 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.255 13.930 2.677 1.00 0.00 C ATOM 0 H VAL A 22 3.205 14.140 2.369 1.00 0.00 H new ATOM 0 HA VAL A 22 5.619 15.773 2.088 1.00 0.00 H new ATOM 0 HB VAL A 22 5.313 13.541 3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.032 11.549 2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.464 12.170 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.938 12.470 0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.719 13.070 3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.722 14.096 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.390 14.814 3.301 1.00 0.00 H new ATOM 318 N SER A 23 6.265 14.233 -0.216 1.00 0.00 N ATOM 319 CA SER A 23 6.450 14.050 -1.648 1.00 0.00 C ATOM 320 C SER A 23 7.663 13.165 -1.934 1.00 0.00 C ATOM 321 O SER A 23 8.798 13.555 -1.662 1.00 0.00 O ATOM 322 CB SER A 23 6.618 15.404 -2.339 1.00 0.00 C ATOM 323 OG SER A 23 7.950 15.876 -2.220 1.00 0.00 O ATOM 0 H SER A 23 7.062 13.945 0.352 1.00 0.00 H new ATOM 0 HA SER A 23 5.562 13.556 -2.043 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.354 15.313 -3.393 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.932 16.128 -1.899 1.00 0.00 H new ATOM 0 HG SER A 23 8.465 15.263 -1.655 1.00 0.00 H new ATOM 329 N PRO A 24 7.444 11.956 -2.485 1.00 0.00 N ATOM 330 CA PRO A 24 6.109 11.449 -2.824 1.00 0.00 C ATOM 331 C PRO A 24 5.298 11.075 -1.587 1.00 0.00 C ATOM 332 O PRO A 24 5.856 10.715 -0.551 1.00 0.00 O ATOM 333 CB PRO A 24 6.405 10.205 -3.662 1.00 0.00 C ATOM 334 CG PRO A 24 7.737 9.742 -3.187 1.00 0.00 C ATOM 335 CD PRO A 24 8.501 10.984 -2.821 1.00 0.00 C ATOM 0 HA PRO A 24 5.509 12.197 -3.342 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.644 9.439 -3.517 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.423 10.439 -4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.636 9.079 -2.328 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.255 9.180 -3.964 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.168 10.810 -1.977 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.118 11.333 -3.649 1.00 0.00 H new ATOM 343 N ALA A 25 3.976 11.162 -1.705 1.00 0.00 N ATOM 344 CA ALA A 25 3.081 10.828 -0.599 1.00 0.00 C ATOM 345 C ALA A 25 3.369 9.424 -0.073 1.00 0.00 C ATOM 346 O ALA A 25 3.917 8.586 -0.788 1.00 0.00 O ATOM 347 CB ALA A 25 1.632 10.935 -1.046 1.00 0.00 C ATOM 0 H ALA A 25 3.500 11.461 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 25 3.255 11.538 0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.975 10.684 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.427 11.954 -1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.454 10.244 -1.870 1.00 0.00 H new ATOM 353 N GLU A 26 3.002 9.174 1.179 1.00 0.00 N ATOM 354 CA GLU A 26 3.229 7.868 1.792 1.00 0.00 C ATOM 355 C GLU A 26 2.047 7.453 2.665 1.00 0.00 C ATOM 356 O GLU A 26 1.357 8.297 3.235 1.00 0.00 O ATOM 357 CB GLU A 26 4.509 7.893 2.628 1.00 0.00 C ATOM 358 CG GLU A 26 5.759 8.188 1.818 1.00 0.00 C ATOM 359 CD GLU A 26 7.024 8.134 2.654 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.915 8.104 3.898 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.125 8.119 2.064 1.00 0.00 O ATOM 0 H GLU A 26 2.548 9.854 1.788 1.00 0.00 H new ATOM 0 HA GLU A 26 3.335 7.136 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.407 8.645 3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.627 6.930 3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.836 7.469 1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.669 9.176 1.365 1.00 0.00 H new ATOM 368 N LEU A 27 1.826 6.145 2.768 1.00 0.00 N ATOM 369 CA LEU A 27 0.734 5.612 3.576 1.00 0.00 C ATOM 370 C LEU A 27 1.277 4.966 4.849 1.00 0.00 C ATOM 371 O LEU A 27 2.031 3.995 4.791 1.00 0.00 O ATOM 372 CB LEU A 27 -0.075 4.596 2.770 1.00 0.00 C ATOM 373 CG LEU A 27 -1.316 4.049 3.473 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.339 3.573 2.455 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.937 2.921 4.418 1.00 0.00 C ATOM 0 H LEU A 27 2.390 5.434 2.301 1.00 0.00 H new ATOM 0 HA LEU A 27 0.079 6.436 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.383 5.061 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.575 3.760 2.512 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.764 4.852 4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.216 3.187 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.633 4.407 1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.903 2.784 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.833 2.543 4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.466 2.116 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.240 3.294 5.169 1.00 0.00 H new ATOM 387 N THR A 28 0.905 5.526 5.996 1.00 0.00 N ATOM 388 CA THR A 28 1.357 5.042 7.276 1.00 0.00 C ATOM 389 C THR A 28 0.460 3.928 7.811 1.00 0.00 C ATOM 390 O THR A 28 -0.749 3.921 7.581 1.00 0.00 O ATOM 391 CB THR A 28 1.365 6.215 8.246 1.00 0.00 C ATOM 392 OG1 THR A 28 1.236 7.444 7.551 1.00 0.00 O ATOM 393 CG2 THR A 28 2.619 6.291 9.066 1.00 0.00 C ATOM 0 H THR A 28 0.280 6.330 6.054 1.00 0.00 H new ATOM 0 HA THR A 28 2.356 4.621 7.165 1.00 0.00 H new ATOM 0 HB THR A 28 0.518 6.047 8.911 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.795 8.124 7.982 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.563 7.148 9.737 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.727 5.378 9.651 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.479 6.403 8.406 1.00 0.00 H new ATOM 401 N TRP A 29 1.067 2.996 8.539 1.00 0.00 N ATOM 402 CA TRP A 29 0.347 1.882 9.130 1.00 0.00 C ATOM 403 C TRP A 29 0.747 1.700 10.585 1.00 0.00 C ATOM 404 O TRP A 29 1.862 1.278 10.883 1.00 0.00 O ATOM 405 CB TRP A 29 0.628 0.587 8.371 1.00 0.00 C ATOM 406 CG TRP A 29 -0.104 -0.583 8.948 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.442 -0.655 9.188 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.450 -1.832 9.376 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.762 -1.882 9.719 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.617 -2.620 9.843 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.742 -2.369 9.402 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.436 -3.907 10.331 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.919 -3.654 9.889 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.832 -4.410 10.346 1.00 0.00 C ATOM 0 H TRP A 29 2.068 2.995 8.733 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.718 2.108 9.070 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.342 0.712 7.327 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.699 0.385 8.386 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.149 0.137 8.990 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.699 -2.191 9.978 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.585 -1.793 9.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.272 -4.491 10.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.911 -4.080 9.917 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.001 -5.410 10.717 1.00 0.00 H new ATOM 425 N ARG A 30 -0.170 2.002 11.490 1.00 0.00 N ATOM 426 CA ARG A 30 0.102 1.849 12.913 1.00 0.00 C ATOM 427 C ARG A 30 -0.614 0.613 13.449 1.00 0.00 C ATOM 428 O ARG A 30 -1.820 0.463 13.266 1.00 0.00 O ATOM 429 CB ARG A 30 -0.346 3.093 13.682 1.00 0.00 C ATOM 430 CG ARG A 30 0.016 3.057 15.159 1.00 0.00 C ATOM 431 CD ARG A 30 -0.479 4.299 15.883 1.00 0.00 C ATOM 432 NE ARG A 30 -0.042 4.329 17.277 1.00 0.00 N ATOM 433 CZ ARG A 30 1.177 4.698 17.665 1.00 0.00 C ATOM 434 NH1 ARG A 30 2.083 5.068 16.767 1.00 0.00 N ATOM 435 NH2 ARG A 30 1.492 4.697 18.953 1.00 0.00 N ATOM 0 H ARG A 30 -1.102 2.352 11.269 1.00 0.00 H new ATOM 0 HA ARG A 30 1.176 1.727 13.052 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.106 3.974 13.227 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.426 3.202 13.583 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.417 2.169 15.620 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.098 2.977 15.268 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.114 5.188 15.369 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.568 4.332 15.843 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.710 4.051 17.995 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.846 5.070 15.775 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.015 5.350 17.070 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.800 4.413 19.647 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.426 4.980 19.250 1.00 0.00 H new ATOM 449 N SER A 31 0.130 -0.273 14.105 1.00 0.00 N ATOM 450 CA SER A 31 -0.450 -1.490 14.647 1.00 0.00 C ATOM 451 C SER A 31 -1.535 -1.166 15.661 1.00 0.00 C ATOM 452 O SER A 31 -1.584 -0.064 16.207 1.00 0.00 O ATOM 453 CB SER A 31 0.635 -2.356 15.291 1.00 0.00 C ATOM 454 OG SER A 31 0.073 -3.294 16.194 1.00 0.00 O ATOM 0 H SER A 31 1.131 -0.169 14.272 1.00 0.00 H new ATOM 0 HA SER A 31 -0.903 -2.047 13.826 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.192 -2.882 14.516 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.346 -1.720 15.819 1.00 0.00 H new ATOM 0 HG SER A 31 0.787 -3.835 16.590 1.00 0.00 H new ATOM 460 N THR A 32 -2.398 -2.139 15.916 1.00 0.00 N ATOM 461 CA THR A 32 -3.475 -1.979 16.865 1.00 0.00 C ATOM 462 C THR A 32 -2.912 -1.678 18.246 1.00 0.00 C ATOM 463 O THR A 32 -3.523 -0.971 19.047 1.00 0.00 O ATOM 464 CB THR A 32 -4.288 -3.269 16.882 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.343 -3.217 15.938 1.00 0.00 O ATOM 466 CG2 THR A 32 -4.888 -3.595 18.224 1.00 0.00 C ATOM 0 H THR A 32 -2.366 -3.056 15.470 1.00 0.00 H new ATOM 0 HA THR A 32 -4.115 -1.145 16.577 1.00 0.00 H new ATOM 0 HB THR A 32 -3.572 -4.051 16.631 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.994 -3.424 15.046 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.451 -4.526 18.155 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.093 -3.706 18.961 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.556 -2.789 18.529 1.00 0.00 H new ATOM 474 N ASP A 33 -1.741 -2.237 18.505 1.00 0.00 N ATOM 475 CA ASP A 33 -1.067 -2.051 19.783 1.00 0.00 C ATOM 476 C ASP A 33 -0.544 -0.630 19.925 1.00 0.00 C ATOM 477 O ASP A 33 -0.497 -0.077 21.023 1.00 0.00 O ATOM 478 CB ASP A 33 0.082 -3.050 19.928 1.00 0.00 C ATOM 479 CG ASP A 33 -0.401 -4.486 19.975 1.00 0.00 C ATOM 480 OD1 ASP A 33 -1.604 -4.700 20.233 1.00 0.00 O ATOM 481 OD2 ASP A 33 0.423 -5.398 19.754 1.00 0.00 O ATOM 0 H ASP A 33 -1.234 -2.826 17.845 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.794 -2.228 20.575 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.772 -2.929 19.093 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.640 -2.828 20.837 1.00 0.00 H new ATOM 486 N GLY A 34 -0.147 -0.050 18.804 1.00 0.00 N ATOM 487 CA GLY A 34 0.379 1.301 18.809 1.00 0.00 C ATOM 488 C GLY A 34 1.850 1.335 19.160 1.00 0.00 C ATOM 489 O GLY A 34 2.356 2.344 19.654 1.00 0.00 O ATOM 0 H GLY A 34 -0.179 -0.492 17.885 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.230 1.752 17.828 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.179 1.905 19.525 1.00 0.00 H new ATOM 493 N ASP A 35 2.535 0.228 18.905 1.00 0.00 N ATOM 494 CA ASP A 35 3.958 0.125 19.195 1.00 0.00 C ATOM 495 C ASP A 35 4.778 -0.002 17.914 1.00 0.00 C ATOM 496 O ASP A 35 5.981 0.258 17.909 1.00 0.00 O ATOM 497 CB ASP A 35 4.228 -1.073 20.109 1.00 0.00 C ATOM 498 CG ASP A 35 5.676 -1.146 20.555 1.00 0.00 C ATOM 499 OD1 ASP A 35 6.399 -0.141 20.394 1.00 0.00 O ATOM 500 OD2 ASP A 35 6.085 -2.209 21.067 1.00 0.00 O ATOM 0 H ASP A 35 2.126 -0.613 18.497 1.00 0.00 H new ATOM 0 HA ASP A 35 4.262 1.040 19.703 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.583 -1.010 20.986 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.965 -1.992 19.586 1.00 0.00 H new ATOM 505 N LYS A 36 4.122 -0.403 16.829 1.00 0.00 N ATOM 506 CA LYS A 36 4.795 -0.562 15.547 1.00 0.00 C ATOM 507 C LYS A 36 4.102 0.263 14.467 1.00 0.00 C ATOM 508 O LYS A 36 2.893 0.150 14.265 1.00 0.00 O ATOM 509 CB LYS A 36 4.827 -2.037 15.140 1.00 0.00 C ATOM 510 CG LYS A 36 6.187 -2.687 15.328 1.00 0.00 C ATOM 511 CD LYS A 36 6.235 -4.072 14.704 1.00 0.00 C ATOM 512 CE LYS A 36 5.346 -5.051 15.454 1.00 0.00 C ATOM 513 NZ LYS A 36 4.665 -6.001 14.533 1.00 0.00 N ATOM 0 H LYS A 36 3.126 -0.623 16.813 1.00 0.00 H new ATOM 0 HA LYS A 36 5.819 -0.203 15.654 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.088 -2.584 15.725 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.533 -2.124 14.094 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.957 -2.058 14.880 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.413 -2.758 16.392 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.918 -4.015 13.663 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.262 -4.437 14.704 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.946 -5.609 16.172 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.598 -4.499 16.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.069 -6.651 15.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.072 -5.470 13.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.378 -6.546 14.007 1.00 0.00 H new ATOM 527 N VAL A 37 4.878 1.092 13.778 1.00 0.00 N ATOM 528 CA VAL A 37 4.339 1.937 12.721 1.00 0.00 C ATOM 529 C VAL A 37 5.113 1.749 11.421 1.00 0.00 C ATOM 530 O VAL A 37 6.325 1.961 11.371 1.00 0.00 O ATOM 531 CB VAL A 37 4.376 3.425 13.117 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.640 4.270 12.088 1.00 0.00 C ATOM 533 CG2 VAL A 37 3.783 3.623 14.503 1.00 0.00 C ATOM 0 H VAL A 37 5.881 1.196 13.933 1.00 0.00 H new ATOM 0 HA VAL A 37 3.302 1.635 12.571 1.00 0.00 H new ATOM 0 HB VAL A 37 5.416 3.750 13.142 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.677 5.318 12.385 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.114 4.152 11.114 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.601 3.946 12.027 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.818 4.680 14.766 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.748 3.281 14.508 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.358 3.049 15.230 1.00 0.00 H new ATOM 543 N HIS A 38 4.404 1.354 10.370 1.00 0.00 N ATOM 544 CA HIS A 38 5.025 1.138 9.065 1.00 0.00 C ATOM 545 C HIS A 38 4.614 2.219 8.081 1.00 0.00 C ATOM 546 O HIS A 38 3.472 2.672 8.072 1.00 0.00 O ATOM 547 CB HIS A 38 4.662 -0.230 8.501 1.00 0.00 C ATOM 548 CG HIS A 38 5.218 -0.489 7.132 1.00 0.00 C ATOM 549 ND1 HIS A 38 5.009 0.149 5.957 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 6.098 -1.515 6.857 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 5.757 -0.496 5.003 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 6.405 -1.495 5.571 1.00 0.00 N flip ATOM 0 H HIS A 38 3.400 1.176 10.394 1.00 0.00 H new ATOM 0 HA HIS A 38 6.104 1.182 9.210 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.024 -1.001 9.182 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.576 -0.321 8.465 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.477 -2.223 7.579 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.807 -0.229 3.958 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.036 -2.142 5.098 1.00 0.00 H new ATOM 561 N THR A 39 5.557 2.620 7.253 1.00 0.00 N ATOM 562 CA THR A 39 5.308 3.649 6.249 1.00 0.00 C ATOM 563 C THR A 39 5.414 3.066 4.843 1.00 0.00 C ATOM 564 O THR A 39 6.374 2.369 4.519 1.00 0.00 O ATOM 565 CB THR A 39 6.294 4.806 6.413 1.00 0.00 C ATOM 566 OG1 THR A 39 6.415 5.171 7.776 1.00 0.00 O ATOM 567 CG2 THR A 39 5.898 6.044 5.640 1.00 0.00 C ATOM 0 H THR A 39 6.508 2.251 7.251 1.00 0.00 H new ATOM 0 HA THR A 39 4.296 4.027 6.393 1.00 0.00 H new ATOM 0 HB THR A 39 7.240 4.438 6.017 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.051 5.911 7.861 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.640 6.826 5.800 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.844 5.808 4.577 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.924 6.392 5.984 1.00 0.00 H new ATOM 575 N VAL A 40 4.417 3.355 4.015 1.00 0.00 N ATOM 576 CA VAL A 40 4.390 2.857 2.646 1.00 0.00 C ATOM 577 C VAL A 40 4.596 3.986 1.644 1.00 0.00 C ATOM 578 O VAL A 40 4.039 5.073 1.795 1.00 0.00 O ATOM 579 CB VAL A 40 3.054 2.154 2.335 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.090 1.511 0.957 1.00 0.00 C ATOM 581 CG2 VAL A 40 2.733 1.120 3.404 1.00 0.00 C ATOM 0 H VAL A 40 3.616 3.933 4.269 1.00 0.00 H new ATOM 0 HA VAL A 40 5.206 2.140 2.554 1.00 0.00 H new ATOM 0 HB VAL A 40 2.264 2.905 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.137 1.021 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.267 2.277 0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.892 0.773 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.786 0.634 3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.526 0.373 3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.656 1.611 4.374 1.00 0.00 H new ATOM 591 N VAL A 41 5.397 3.721 0.617 1.00 0.00 N ATOM 592 CA VAL A 41 5.670 4.714 -0.413 1.00 0.00 C ATOM 593 C VAL A 41 4.693 4.568 -1.575 1.00 0.00 C ATOM 594 O VAL A 41 4.733 3.584 -2.313 1.00 0.00 O ATOM 595 CB VAL A 41 7.110 4.596 -0.945 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.430 5.752 -1.881 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.101 4.543 0.208 1.00 0.00 C ATOM 0 H VAL A 41 5.868 2.827 0.477 1.00 0.00 H new ATOM 0 HA VAL A 41 5.547 5.695 0.047 1.00 0.00 H new ATOM 0 HB VAL A 41 7.195 3.668 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.452 5.652 -2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.740 5.739 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.328 6.695 -1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.114 4.460 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.017 5.453 0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.884 3.678 0.835 1.00 0.00 H new ATOM 607 N LEU A 42 3.814 5.551 -1.724 1.00 0.00 N ATOM 608 CA LEU A 42 2.818 5.536 -2.789 1.00 0.00 C ATOM 609 C LEU A 42 3.454 5.774 -4.158 1.00 0.00 C ATOM 610 O LEU A 42 2.811 5.579 -5.189 1.00 0.00 O ATOM 611 CB LEU A 42 1.747 6.592 -2.517 1.00 0.00 C ATOM 612 CG LEU A 42 1.188 6.591 -1.092 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.071 7.615 -0.954 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.693 5.199 -0.715 1.00 0.00 C ATOM 0 H LEU A 42 3.770 6.371 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 42 2.358 4.548 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.166 7.576 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.923 6.441 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 42 1.989 6.868 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.313 7.599 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.458 8.608 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.733 7.372 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.299 5.216 0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.094 4.894 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.520 4.491 -0.772 1.00 0.00 H new ATOM 626 N SER A 43 4.718 6.191 -4.165 1.00 0.00 N ATOM 627 CA SER A 43 5.427 6.446 -5.412 1.00 0.00 C ATOM 628 C SER A 43 5.859 5.137 -6.058 1.00 0.00 C ATOM 629 O SER A 43 5.970 5.041 -7.280 1.00 0.00 O ATOM 630 CB SER A 43 6.648 7.333 -5.157 1.00 0.00 C ATOM 631 OG SER A 43 6.740 8.364 -6.124 1.00 0.00 O ATOM 0 H SER A 43 5.269 6.358 -3.323 1.00 0.00 H new ATOM 0 HA SER A 43 4.751 6.964 -6.092 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.582 7.770 -4.160 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.553 6.726 -5.180 1.00 0.00 H new ATOM 0 HG SER A 43 5.874 8.473 -6.569 1.00 0.00 H new ATOM 637 N THR A 44 6.100 4.128 -5.228 1.00 0.00 N ATOM 638 CA THR A 44 6.517 2.823 -5.718 1.00 0.00 C ATOM 639 C THR A 44 5.329 2.035 -6.256 1.00 0.00 C ATOM 640 O THR A 44 5.484 1.154 -7.102 1.00 0.00 O ATOM 641 CB THR A 44 7.216 2.034 -4.609 1.00 0.00 C ATOM 642 OG1 THR A 44 7.798 0.851 -5.127 1.00 0.00 O ATOM 643 CG2 THR A 44 6.287 1.631 -3.482 1.00 0.00 C ATOM 0 H THR A 44 6.013 4.190 -4.214 1.00 0.00 H new ATOM 0 HA THR A 44 7.220 2.980 -6.536 1.00 0.00 H new ATOM 0 HB THR A 44 7.974 2.708 -4.210 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.242 0.361 -4.404 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.847 1.075 -2.730 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.857 2.524 -3.028 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.487 1.004 -3.876 1.00 0.00 H new ATOM 651 N ILE A 45 4.141 2.360 -5.760 1.00 0.00 N ATOM 652 CA ILE A 45 2.922 1.684 -6.185 1.00 0.00 C ATOM 653 C ILE A 45 2.552 2.064 -7.614 1.00 0.00 C ATOM 654 O ILE A 45 2.025 3.149 -7.863 1.00 0.00 O ATOM 655 CB ILE A 45 1.740 2.021 -5.255 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.143 1.832 -3.792 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.537 1.156 -5.596 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.670 0.447 -3.483 1.00 0.00 C ATOM 0 H ILE A 45 3.996 3.089 -5.062 1.00 0.00 H new ATOM 0 HA ILE A 45 3.121 0.613 -6.136 1.00 0.00 H new ATOM 0 HB ILE A 45 1.466 3.066 -5.403 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.906 2.567 -3.536 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.280 2.033 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.290 1.405 -4.931 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.240 1.337 -6.629 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.798 0.105 -5.473 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.936 0.386 -2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.902 -0.293 -3.707 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.552 0.249 -4.092 1.00 0.00 H new ATOM 670 N ASP A 46 2.830 1.163 -8.548 1.00 0.00 N ATOM 671 CA ASP A 46 2.525 1.400 -9.953 1.00 0.00 C ATOM 672 C ASP A 46 1.101 0.967 -10.286 1.00 0.00 C ATOM 673 O ASP A 46 0.505 1.451 -11.249 1.00 0.00 O ATOM 674 CB ASP A 46 3.519 0.651 -10.845 1.00 0.00 C ATOM 675 CG ASP A 46 3.305 0.935 -12.319 1.00 0.00 C ATOM 676 OD1 ASP A 46 2.575 1.898 -12.639 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.866 0.196 -13.153 1.00 0.00 O ATOM 0 H ASP A 46 3.266 0.261 -8.358 1.00 0.00 H new ATOM 0 HA ASP A 46 2.611 2.470 -10.140 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.535 0.933 -10.568 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.426 -0.420 -10.667 1.00 0.00 H new ATOM 682 N LYS A 47 0.558 0.051 -9.487 1.00 0.00 N ATOM 683 CA LYS A 47 -0.797 -0.442 -9.707 1.00 0.00 C ATOM 684 C LYS A 47 -1.459 -0.823 -8.388 1.00 0.00 C ATOM 685 O LYS A 47 -0.786 -1.012 -7.375 1.00 0.00 O ATOM 686 CB LYS A 47 -0.775 -1.649 -10.647 1.00 0.00 C ATOM 687 CG LYS A 47 -0.351 -1.307 -12.067 1.00 0.00 C ATOM 688 CD LYS A 47 -0.117 -2.561 -12.895 1.00 0.00 C ATOM 689 CE LYS A 47 -1.376 -3.408 -12.991 1.00 0.00 C ATOM 690 NZ LYS A 47 -2.577 -2.585 -13.303 1.00 0.00 N ATOM 0 H LYS A 47 1.034 -0.362 -8.685 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.378 0.358 -10.166 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.095 -2.400 -10.245 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.768 -2.098 -10.671 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.119 -0.695 -12.540 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.561 -0.711 -12.042 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.212 -2.281 -13.896 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.685 -3.149 -12.449 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.245 -4.166 -13.763 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.532 -3.935 -12.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.287 -3.175 -13.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.978 -2.208 -12.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.306 -1.797 -13.925 1.00 0.00 H new ATOM 704 N LEU A 48 -2.782 -0.940 -8.410 1.00 0.00 N ATOM 705 CA LEU A 48 -3.537 -1.302 -7.217 1.00 0.00 C ATOM 706 C LEU A 48 -4.570 -2.378 -7.535 1.00 0.00 C ATOM 707 O LEU A 48 -5.505 -2.147 -8.303 1.00 0.00 O ATOM 708 CB LEU A 48 -4.230 -0.070 -6.633 1.00 0.00 C ATOM 709 CG LEU A 48 -5.320 0.540 -7.521 1.00 0.00 C ATOM 710 CD1 LEU A 48 -6.699 0.283 -6.933 1.00 0.00 C ATOM 711 CD2 LEU A 48 -5.088 2.034 -7.701 1.00 0.00 C ATOM 0 H LEU A 48 -3.354 -0.789 -9.241 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.838 -1.699 -6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.672 -0.341 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.477 0.692 -6.433 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.270 0.062 -8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.458 0.724 -7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.868 -0.791 -6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.761 0.731 -5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.871 2.450 -8.334 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.109 2.525 -6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.118 2.198 -8.170 1.00 0.00 H new ATOM 723 N GLN A 49 -4.397 -3.552 -6.939 1.00 0.00 N ATOM 724 CA GLN A 49 -5.315 -4.663 -7.159 1.00 0.00 C ATOM 725 C GLN A 49 -6.085 -4.989 -5.883 1.00 0.00 C ATOM 726 O GLN A 49 -5.491 -5.242 -4.836 1.00 0.00 O ATOM 727 CB GLN A 49 -4.551 -5.899 -7.636 1.00 0.00 C ATOM 728 CG GLN A 49 -3.842 -5.699 -8.966 1.00 0.00 C ATOM 729 CD GLN A 49 -3.184 -6.967 -9.471 1.00 0.00 C ATOM 730 OE1 GLN A 49 -1.868 -7.053 -9.316 1.00 0.00 O flip ATOM 731 NE2 GLN A 49 -3.850 -7.860 -9.996 1.00 0.00 N flip ATOM 0 H GLN A 49 -3.630 -3.759 -6.300 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.027 -4.367 -7.929 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.816 -6.176 -6.880 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.246 -6.734 -7.726 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.560 -5.346 -9.707 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.087 -4.920 -8.858 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.859 -7.752 -10.095 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.392 -8.707 -10.332 1.00 0.00 H new ATOM 740 N ALA A 50 -7.411 -4.979 -5.979 1.00 0.00 N ATOM 741 CA ALA A 50 -8.262 -5.273 -4.833 1.00 0.00 C ATOM 742 C ALA A 50 -9.066 -6.548 -5.059 1.00 0.00 C ATOM 743 O ALA A 50 -9.212 -7.010 -6.191 1.00 0.00 O ATOM 744 CB ALA A 50 -9.191 -4.102 -4.552 1.00 0.00 C ATOM 0 H ALA A 50 -7.919 -4.770 -6.839 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.621 -5.429 -3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.821 -4.335 -3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.600 -3.212 -4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.819 -3.919 -5.424 1.00 0.00 H new ATOM 750 N THR A 51 -9.588 -7.111 -3.975 1.00 0.00 N ATOM 751 CA THR A 51 -10.381 -8.334 -4.057 1.00 0.00 C ATOM 752 C THR A 51 -11.729 -8.064 -4.719 1.00 0.00 C ATOM 753 O THR A 51 -12.276 -6.967 -4.610 1.00 0.00 O ATOM 754 CB THR A 51 -10.592 -8.927 -2.662 1.00 0.00 C ATOM 755 OG1 THR A 51 -11.191 -7.977 -1.799 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.309 -9.396 -2.012 1.00 0.00 C ATOM 0 H THR A 51 -9.477 -6.742 -3.031 1.00 0.00 H new ATOM 0 HA THR A 51 -9.834 -9.052 -4.668 1.00 0.00 H new ATOM 0 HB THR A 51 -11.241 -9.790 -2.809 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.518 -8.428 -0.993 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.529 -9.805 -1.026 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.849 -10.167 -2.630 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.624 -8.554 -1.911 1.00 0.00 H new ATOM 764 N PRO A 52 -12.286 -9.069 -5.419 1.00 0.00 N ATOM 765 CA PRO A 52 -13.578 -8.937 -6.102 1.00 0.00 C ATOM 766 C PRO A 52 -14.736 -8.761 -5.127 1.00 0.00 C ATOM 767 O PRO A 52 -14.677 -9.218 -3.986 1.00 0.00 O ATOM 768 CB PRO A 52 -13.718 -10.257 -6.867 1.00 0.00 C ATOM 769 CG PRO A 52 -12.849 -11.218 -6.133 1.00 0.00 C ATOM 770 CD PRO A 52 -11.701 -10.410 -5.598 1.00 0.00 C ATOM 0 HA PRO A 52 -13.609 -8.055 -6.741 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.754 -10.595 -6.885 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.400 -10.149 -7.904 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.397 -11.701 -5.324 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.495 -12.009 -6.795 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.328 -10.815 -4.657 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.862 -10.393 -6.293 1.00 0.00 H new ATOM 778 N ALA A 53 -15.792 -8.096 -5.587 1.00 0.00 N ATOM 779 CA ALA A 53 -16.968 -7.860 -4.758 1.00 0.00 C ATOM 780 C ALA A 53 -17.673 -9.166 -4.401 1.00 0.00 C ATOM 781 O ALA A 53 -18.492 -9.208 -3.484 1.00 0.00 O ATOM 782 CB ALA A 53 -17.930 -6.917 -5.468 1.00 0.00 C ATOM 0 H ALA A 53 -15.857 -7.711 -6.529 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.635 -7.398 -3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.804 -6.748 -4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -17.432 -5.967 -5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.243 -7.360 -6.413 1.00 0.00 H new ATOM 788 N SER A 54 -17.352 -10.232 -5.131 1.00 0.00 N ATOM 789 CA SER A 54 -17.959 -11.535 -4.886 1.00 0.00 C ATOM 790 C SER A 54 -17.150 -12.343 -3.871 1.00 0.00 C ATOM 791 O SER A 54 -17.514 -13.470 -3.533 1.00 0.00 O ATOM 792 CB SER A 54 -18.075 -12.317 -6.195 1.00 0.00 C ATOM 793 OG SER A 54 -18.969 -11.680 -7.093 1.00 0.00 O ATOM 0 H SER A 54 -16.676 -10.218 -5.895 1.00 0.00 H new ATOM 0 HA SER A 54 -18.954 -11.368 -4.474 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.092 -12.406 -6.657 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.422 -13.329 -5.988 1.00 0.00 H new ATOM 0 HG SER A 54 -19.024 -12.199 -7.923 1.00 0.00 H new ATOM 799 N SER A 55 -16.054 -11.765 -3.386 1.00 0.00 N ATOM 800 CA SER A 55 -15.205 -12.432 -2.411 1.00 0.00 C ATOM 801 C SER A 55 -15.371 -11.806 -1.035 1.00 0.00 C ATOM 802 O SER A 55 -14.997 -10.654 -0.816 1.00 0.00 O ATOM 803 CB SER A 55 -13.739 -12.360 -2.845 1.00 0.00 C ATOM 804 OG SER A 55 -13.448 -13.340 -3.825 1.00 0.00 O ATOM 0 H SER A 55 -15.735 -10.834 -3.655 1.00 0.00 H new ATOM 0 HA SER A 55 -15.507 -13.478 -2.355 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.523 -11.368 -3.243 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.093 -12.504 -1.979 1.00 0.00 H new ATOM 0 HG SER A 55 -14.204 -13.419 -4.443 1.00 0.00 H new ATOM 810 N GLU A 56 -15.928 -12.576 -0.107 1.00 0.00 N ATOM 811 CA GLU A 56 -16.136 -12.099 1.253 1.00 0.00 C ATOM 812 C GLU A 56 -14.816 -11.665 1.884 1.00 0.00 C ATOM 813 O GLU A 56 -14.800 -10.926 2.868 1.00 0.00 O ATOM 814 CB GLU A 56 -16.786 -13.190 2.104 1.00 0.00 C ATOM 815 CG GLU A 56 -18.151 -13.624 1.598 1.00 0.00 C ATOM 816 CD GLU A 56 -18.805 -14.658 2.496 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.393 -15.835 2.442 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.729 -14.289 3.251 1.00 0.00 O ATOM 0 H GLU A 56 -16.243 -13.532 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.800 -11.236 1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.126 -14.057 2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.885 -12.830 3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.800 -12.752 1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.048 -14.034 0.593 1.00 0.00 H new ATOM 825 N LYS A 57 -13.710 -12.130 1.308 1.00 0.00 N ATOM 826 CA LYS A 57 -12.385 -11.788 1.813 1.00 0.00 C ATOM 827 C LYS A 57 -12.000 -10.369 1.406 1.00 0.00 C ATOM 828 O LYS A 57 -11.837 -10.074 0.222 1.00 0.00 O ATOM 829 CB LYS A 57 -11.347 -12.782 1.292 1.00 0.00 C ATOM 830 CG LYS A 57 -11.611 -14.217 1.716 1.00 0.00 C ATOM 831 CD LYS A 57 -10.444 -15.128 1.367 1.00 0.00 C ATOM 832 CE LYS A 57 -10.294 -15.290 -0.137 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.909 -16.557 -0.622 1.00 0.00 N ATOM 0 H LYS A 57 -13.706 -12.743 0.493 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.411 -11.840 2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.323 -12.732 0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.360 -12.483 1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.792 -14.252 2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.516 -14.580 1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.524 -14.718 1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.594 -16.105 1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.760 -14.444 -0.642 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.236 -15.275 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.786 -16.631 -1.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.448 -17.366 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.924 -16.560 -0.394 1.00 0.00 H new ATOM 847 N MET A 58 -11.855 -9.494 2.396 1.00 0.00 N ATOM 848 CA MET A 58 -11.489 -8.106 2.141 1.00 0.00 C ATOM 849 C MET A 58 -9.980 -7.913 2.246 1.00 0.00 C ATOM 850 O MET A 58 -9.420 -7.913 3.342 1.00 0.00 O ATOM 851 CB MET A 58 -12.203 -7.180 3.128 1.00 0.00 C ATOM 852 CG MET A 58 -13.708 -7.120 2.925 1.00 0.00 C ATOM 853 SD MET A 58 -14.607 -8.181 4.072 1.00 0.00 S ATOM 854 CE MET A 58 -15.266 -6.967 5.212 1.00 0.00 C ATOM 0 H MET A 58 -11.985 -9.722 3.382 1.00 0.00 H new ATOM 0 HA MET A 58 -11.799 -7.855 1.127 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.995 -7.515 4.144 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.792 -6.175 3.033 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.046 -6.091 3.047 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.945 -7.414 1.903 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.517 -7.452 6.155 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.520 -6.192 5.389 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.163 -6.517 4.786 1.00 0.00 H new ATOM 864 N MET A 59 -9.327 -7.751 1.100 1.00 0.00 N ATOM 865 CA MET A 59 -7.882 -7.558 1.065 1.00 0.00 C ATOM 866 C MET A 59 -7.470 -6.728 -0.147 1.00 0.00 C ATOM 867 O MET A 59 -7.990 -6.918 -1.246 1.00 0.00 O ATOM 868 CB MET A 59 -7.170 -8.912 1.035 1.00 0.00 C ATOM 869 CG MET A 59 -7.574 -9.839 2.171 1.00 0.00 C ATOM 870 SD MET A 59 -6.597 -11.353 2.213 1.00 0.00 S ATOM 871 CE MET A 59 -7.412 -12.245 3.536 1.00 0.00 C ATOM 0 H MET A 59 -9.775 -7.750 0.184 1.00 0.00 H new ATOM 0 HA MET A 59 -7.591 -7.018 1.966 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.381 -9.403 0.085 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.093 -8.748 1.077 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.464 -9.314 3.120 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.629 -10.095 2.069 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.909 -13.199 3.695 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.370 -11.656 4.452 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.453 -12.424 3.267 1.00 0.00 H new ATOM 881 N LEU A 60 -6.531 -5.810 0.060 1.00 0.00 N ATOM 882 CA LEU A 60 -6.049 -4.955 -1.019 1.00 0.00 C ATOM 883 C LEU A 60 -4.577 -5.230 -1.311 1.00 0.00 C ATOM 884 O LEU A 60 -3.742 -5.220 -0.407 1.00 0.00 O ATOM 885 CB LEU A 60 -6.242 -3.481 -0.655 1.00 0.00 C ATOM 886 CG LEU A 60 -5.890 -2.488 -1.765 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.946 -2.516 -2.859 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.744 -1.085 -1.196 1.00 0.00 C ATOM 0 H LEU A 60 -6.089 -5.639 0.963 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.628 -5.179 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.282 -3.327 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.632 -3.256 0.220 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.936 -2.782 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.680 -1.804 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.002 -3.518 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.914 -2.246 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.494 -0.391 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.683 -0.781 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.951 -1.076 -0.448 1.00 0.00 H new ATOM 900 N ARG A 61 -4.267 -5.481 -2.580 1.00 0.00 N ATOM 901 CA ARG A 61 -2.896 -5.765 -2.992 1.00 0.00 C ATOM 902 C ARG A 61 -2.318 -4.610 -3.800 1.00 0.00 C ATOM 903 O ARG A 61 -2.964 -4.085 -4.706 1.00 0.00 O ATOM 904 CB ARG A 61 -2.846 -7.055 -3.812 1.00 0.00 C ATOM 905 CG ARG A 61 -1.683 -7.962 -3.447 1.00 0.00 C ATOM 906 CD ARG A 61 -0.579 -7.905 -4.492 1.00 0.00 C ATOM 907 NE ARG A 61 -1.062 -8.281 -5.819 1.00 0.00 N ATOM 908 CZ ARG A 61 -1.254 -9.540 -6.208 1.00 0.00 C ATOM 909 NH1 ARG A 61 -1.005 -10.544 -5.376 1.00 0.00 N ATOM 910 NH2 ARG A 61 -1.696 -9.796 -7.432 1.00 0.00 N ATOM 0 H ARG A 61 -4.947 -5.493 -3.340 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.292 -5.890 -2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.779 -7.601 -3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.780 -6.801 -4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.282 -7.668 -2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.038 -8.988 -3.348 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.166 -6.897 -4.529 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.232 -8.571 -4.199 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.264 -7.536 -6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.665 -10.353 -4.434 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.154 -11.506 -5.679 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.889 -9.028 -8.075 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.843 -10.760 -7.730 1.00 0.00 H new ATOM 924 N LEU A 62 -1.093 -4.220 -3.465 1.00 0.00 N ATOM 925 CA LEU A 62 -0.421 -3.130 -4.158 1.00 0.00 C ATOM 926 C LEU A 62 0.879 -3.611 -4.792 1.00 0.00 C ATOM 927 O LEU A 62 1.703 -4.252 -4.140 1.00 0.00 O ATOM 928 CB LEU A 62 -0.144 -1.976 -3.191 1.00 0.00 C ATOM 929 CG LEU A 62 -1.023 -0.744 -3.396 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.474 -1.064 -3.070 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.526 0.414 -2.542 1.00 0.00 C ATOM 0 H LEU A 62 -0.545 -4.644 -2.716 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.078 -2.774 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.278 -2.335 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.900 -1.680 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.963 -0.449 -4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.086 -0.175 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.826 -1.862 -3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.551 -1.385 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.164 1.283 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.556 0.129 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.498 0.660 -2.823 1.00 0.00 H new ATOM 943 N ILE A 63 1.053 -3.298 -6.070 1.00 0.00 N ATOM 944 CA ILE A 63 2.251 -3.698 -6.800 1.00 0.00 C ATOM 945 C ILE A 63 3.230 -2.537 -6.931 1.00 0.00 C ATOM 946 O ILE A 63 2.831 -1.401 -7.185 1.00 0.00 O ATOM 947 CB ILE A 63 1.905 -4.218 -8.210 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.697 -5.157 -8.157 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.105 -4.928 -8.820 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.856 -6.300 -7.178 1.00 0.00 C ATOM 0 H ILE A 63 0.380 -2.768 -6.623 1.00 0.00 H new ATOM 0 HA ILE A 63 2.714 -4.500 -6.226 1.00 0.00 H new ATOM 0 HB ILE A 63 1.648 -3.366 -8.839 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.188 -4.581 -7.888 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.521 -5.565 -9.152 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.846 -5.290 -9.815 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.941 -4.232 -8.893 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.388 -5.771 -8.190 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.039 -6.922 -7.196 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.721 -6.901 -7.458 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.001 -5.902 -6.174 1.00 0.00 H new ATOM 962 N GLY A 64 4.515 -2.832 -6.757 1.00 0.00 N ATOM 963 CA GLY A 64 5.532 -1.802 -6.862 1.00 0.00 C ATOM 964 C GLY A 64 5.835 -1.431 -8.300 1.00 0.00 C ATOM 965 O GLY A 64 5.187 -1.923 -9.224 1.00 0.00 O ATOM 0 H GLY A 64 4.869 -3.765 -6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.202 -0.914 -6.323 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.446 -2.148 -6.379 1.00 0.00 H new ATOM 969 N LYS A 65 6.823 -0.561 -8.491 1.00 0.00 N ATOM 970 CA LYS A 65 7.209 -0.124 -9.827 1.00 0.00 C ATOM 971 C LYS A 65 7.961 -1.224 -10.567 1.00 0.00 C ATOM 972 O LYS A 65 8.106 -2.339 -10.063 1.00 0.00 O ATOM 973 CB LYS A 65 8.074 1.135 -9.745 1.00 0.00 C ATOM 974 CG LYS A 65 7.285 2.423 -9.902 1.00 0.00 C ATOM 975 CD LYS A 65 8.191 3.642 -9.849 1.00 0.00 C ATOM 976 CE LYS A 65 7.417 4.924 -10.109 1.00 0.00 C ATOM 977 NZ LYS A 65 8.257 6.134 -9.899 1.00 0.00 N ATOM 0 H LYS A 65 7.370 -0.146 -7.737 1.00 0.00 H new ATOM 0 HA LYS A 65 6.299 0.103 -10.382 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.591 1.149 -8.785 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.840 1.091 -10.519 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.748 2.409 -10.851 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.536 2.491 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.671 3.698 -8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.985 3.539 -10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.039 4.918 -11.131 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.551 4.965 -9.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.691 6.986 -10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.598 6.154 -8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.070 6.109 -10.547 1.00 0.00 H new ATOM 991 N VAL A 66 8.439 -0.904 -11.764 1.00 0.00 N ATOM 992 CA VAL A 66 9.179 -1.863 -12.575 1.00 0.00 C ATOM 993 C VAL A 66 10.632 -1.436 -12.740 1.00 0.00 C ATOM 994 O VAL A 66 10.921 -0.270 -13.014 1.00 0.00 O ATOM 995 CB VAL A 66 8.542 -2.029 -13.967 1.00 0.00 C ATOM 996 CG1 VAL A 66 9.212 -3.161 -14.730 1.00 0.00 C ATOM 997 CG2 VAL A 66 7.046 -2.273 -13.844 1.00 0.00 C ATOM 0 H VAL A 66 8.327 0.014 -12.195 1.00 0.00 H new ATOM 0 HA VAL A 66 9.142 -2.818 -12.051 1.00 0.00 H new ATOM 0 HB VAL A 66 8.692 -1.106 -14.527 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.748 -3.263 -15.711 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.273 -2.940 -14.851 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.096 -4.092 -14.175 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.613 -2.388 -14.838 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.872 -3.180 -13.265 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.579 -1.426 -13.341 1.00 0.00 H new ATOM 1007 N ASP A 67 11.545 -2.387 -12.571 1.00 0.00 N ATOM 1008 CA ASP A 67 12.971 -2.108 -12.700 1.00 0.00 C ATOM 1009 C ASP A 67 13.367 -1.959 -14.165 1.00 0.00 C ATOM 1010 O ASP A 67 12.566 -2.211 -15.065 1.00 0.00 O ATOM 1011 CB ASP A 67 13.791 -3.225 -12.048 1.00 0.00 C ATOM 1012 CG ASP A 67 13.513 -4.583 -12.662 1.00 0.00 C ATOM 1013 OD1 ASP A 67 12.919 -4.629 -13.760 1.00 0.00 O ATOM 1014 OD2 ASP A 67 13.890 -5.601 -12.045 1.00 0.00 O ATOM 0 H ASP A 67 11.323 -3.357 -12.345 1.00 0.00 H new ATOM 0 HA ASP A 67 13.179 -1.168 -12.190 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.852 -2.996 -12.145 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.569 -3.260 -10.981 1.00 0.00 H new ATOM 1019 N GLU A 68 14.611 -1.548 -14.397 1.00 0.00 N ATOM 1020 CA GLU A 68 15.116 -1.366 -15.753 1.00 0.00 C ATOM 1021 C GLU A 68 16.269 -2.323 -16.036 1.00 0.00 C ATOM 1022 O GLU A 68 17.251 -1.955 -16.679 1.00 0.00 O ATOM 1023 CB GLU A 68 15.572 0.080 -15.959 1.00 0.00 C ATOM 1024 CG GLU A 68 14.461 1.101 -15.782 1.00 0.00 C ATOM 1025 CD GLU A 68 14.915 2.516 -16.087 1.00 0.00 C ATOM 1026 OE1 GLU A 68 15.626 3.105 -15.246 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.559 3.033 -17.165 1.00 0.00 O ATOM 0 H GLU A 68 15.287 -1.335 -13.663 1.00 0.00 H new ATOM 0 HA GLU A 68 14.307 -1.586 -16.450 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.374 0.303 -15.255 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.990 0.181 -16.961 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.627 0.842 -16.435 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.090 1.055 -14.758 1.00 0.00 H new ATOM 1034 N SER A 69 16.139 -3.553 -15.551 1.00 0.00 N ATOM 1035 CA SER A 69 17.171 -4.568 -15.748 1.00 0.00 C ATOM 1036 C SER A 69 17.458 -4.776 -17.232 1.00 0.00 C ATOM 1037 O SER A 69 18.543 -5.223 -17.606 1.00 0.00 O ATOM 1038 CB SER A 69 16.746 -5.889 -15.109 1.00 0.00 C ATOM 1039 OG SER A 69 16.439 -5.717 -13.735 1.00 0.00 O ATOM 0 H SER A 69 15.330 -3.873 -15.019 1.00 0.00 H new ATOM 0 HA SER A 69 18.084 -4.217 -15.267 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.876 -6.286 -15.632 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.545 -6.622 -15.217 1.00 0.00 H new ATOM 0 HG SER A 69 16.168 -6.577 -13.350 1.00 0.00 H new ATOM 1045 N LYS A 70 16.483 -4.451 -18.070 1.00 0.00 N ATOM 1046 CA LYS A 70 16.630 -4.602 -19.513 1.00 0.00 C ATOM 1047 C LYS A 70 17.812 -3.786 -20.028 1.00 0.00 C ATOM 1048 O LYS A 70 18.503 -4.197 -20.961 1.00 0.00 O ATOM 1049 CB LYS A 70 15.348 -4.168 -20.226 1.00 0.00 C ATOM 1050 CG LYS A 70 14.149 -5.045 -19.907 1.00 0.00 C ATOM 1051 CD LYS A 70 12.935 -4.651 -20.732 1.00 0.00 C ATOM 1052 CE LYS A 70 11.704 -5.448 -20.329 1.00 0.00 C ATOM 1053 NZ LYS A 70 10.942 -4.781 -19.237 1.00 0.00 N ATOM 0 H LYS A 70 15.580 -4.080 -17.775 1.00 0.00 H new ATOM 0 HA LYS A 70 16.817 -5.655 -19.725 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.119 -3.139 -19.950 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.519 -4.178 -21.302 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.398 -6.088 -20.100 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.911 -4.965 -18.846 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.738 -3.586 -20.605 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.144 -4.813 -21.789 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.056 -5.578 -21.196 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.007 -6.444 -20.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.111 -5.356 -18.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.551 -4.679 -18.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.631 -3.841 -19.555 1.00 0.00 H new ATOM 1067 N LYS A 71 18.039 -2.629 -19.414 1.00 0.00 N ATOM 1068 CA LYS A 71 19.139 -1.757 -19.810 1.00 0.00 C ATOM 1069 C LYS A 71 20.351 -1.967 -18.910 1.00 0.00 C ATOM 1070 O LYS A 71 20.213 -2.261 -17.723 1.00 0.00 O ATOM 1071 CB LYS A 71 18.698 -0.293 -19.759 1.00 0.00 C ATOM 1072 CG LYS A 71 17.907 0.147 -20.979 1.00 0.00 C ATOM 1073 CD LYS A 71 16.474 -0.361 -20.926 1.00 0.00 C ATOM 1074 CE LYS A 71 15.682 0.079 -22.146 1.00 0.00 C ATOM 1075 NZ LYS A 71 15.434 1.547 -22.148 1.00 0.00 N ATOM 0 H LYS A 71 17.476 -2.274 -18.641 1.00 0.00 H new ATOM 0 HA LYS A 71 19.421 -2.010 -20.832 1.00 0.00 H new ATOM 0 HB2 LYS A 71 18.091 -0.136 -18.867 1.00 0.00 H new ATOM 0 HB3 LYS A 71 19.580 0.340 -19.660 1.00 0.00 H new ATOM 0 HG2 LYS A 71 17.907 1.235 -21.041 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.392 -0.223 -21.882 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.475 -1.449 -20.864 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.989 0.009 -20.023 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.224 -0.199 -23.050 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.729 -0.450 -22.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.793 1.790 -22.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.000 1.827 -21.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.335 2.051 -22.270 1.00 0.00 H new ATOM 1089 N ARG A 72 21.541 -1.815 -19.484 1.00 0.00 N ATOM 1090 CA ARG A 72 22.778 -1.987 -18.733 1.00 0.00 C ATOM 1091 C ARG A 72 23.461 -0.645 -18.492 1.00 0.00 C ATOM 1092 O ARG A 72 23.746 0.095 -19.433 1.00 0.00 O ATOM 1093 CB ARG A 72 23.725 -2.927 -19.483 1.00 0.00 C ATOM 1094 CG ARG A 72 23.197 -4.346 -19.614 1.00 0.00 C ATOM 1095 CD ARG A 72 24.207 -5.258 -20.292 1.00 0.00 C ATOM 1096 NE ARG A 72 25.378 -5.499 -19.452 1.00 0.00 N ATOM 1097 CZ ARG A 72 26.415 -6.246 -19.823 1.00 0.00 C ATOM 1098 NH1 ARG A 72 26.433 -6.823 -21.017 1.00 0.00 N ATOM 1099 NH2 ARG A 72 27.440 -6.413 -18.997 1.00 0.00 N ATOM 0 H ARG A 72 21.674 -1.573 -20.466 1.00 0.00 H new ATOM 0 HA ARG A 72 22.530 -2.425 -17.766 1.00 0.00 H new ATOM 0 HB2 ARG A 72 23.910 -2.524 -20.479 1.00 0.00 H new ATOM 0 HB3 ARG A 72 24.684 -2.952 -18.966 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.957 -4.738 -18.626 1.00 0.00 H new ATOM 0 HG3 ARG A 72 22.270 -4.339 -20.187 1.00 0.00 H new ATOM 0 HD2 ARG A 72 23.732 -6.209 -20.533 1.00 0.00 H new ATOM 0 HD3 ARG A 72 24.523 -4.811 -21.235 1.00 0.00 H new ATOM 0 HE ARG A 72 25.402 -5.070 -18.527 1.00 0.00 H new ATOM 0 HH11 ARG A 72 25.649 -6.695 -21.657 1.00 0.00 H new ATOM 0 HH12 ARG A 72 27.231 -7.394 -21.295 1.00 0.00 H new ATOM 0 HH21 ARG A 72 27.433 -5.969 -18.079 1.00 0.00 H new ATOM 0 HH22 ARG A 72 28.235 -6.985 -19.280 1.00 0.00 H new ATOM 1113 N LYS A 73 23.719 -0.338 -17.226 1.00 0.00 N ATOM 1114 CA LYS A 73 24.368 0.915 -16.859 1.00 0.00 C ATOM 1115 C LYS A 73 25.873 0.723 -16.700 1.00 0.00 C ATOM 1116 O LYS A 73 26.351 -0.395 -16.519 1.00 0.00 O ATOM 1117 CB LYS A 73 23.771 1.461 -15.561 1.00 0.00 C ATOM 1118 CG LYS A 73 22.311 1.863 -15.686 1.00 0.00 C ATOM 1119 CD LYS A 73 21.796 2.501 -14.405 1.00 0.00 C ATOM 1120 CE LYS A 73 20.315 2.831 -14.502 1.00 0.00 C ATOM 1121 NZ LYS A 73 19.472 1.603 -14.542 1.00 0.00 N ATOM 0 H LYS A 73 23.488 -0.940 -16.436 1.00 0.00 H new ATOM 0 HA LYS A 73 24.195 1.633 -17.661 1.00 0.00 H new ATOM 0 HB2 LYS A 73 23.866 0.706 -14.781 1.00 0.00 H new ATOM 0 HB3 LYS A 73 24.351 2.326 -15.239 1.00 0.00 H new ATOM 0 HG2 LYS A 73 22.195 2.562 -16.514 1.00 0.00 H new ATOM 0 HG3 LYS A 73 21.710 0.985 -15.923 1.00 0.00 H new ATOM 0 HD2 LYS A 73 21.965 1.824 -13.567 1.00 0.00 H new ATOM 0 HD3 LYS A 73 22.360 3.411 -14.199 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.023 3.444 -13.649 1.00 0.00 H new ATOM 0 HE3 LYS A 73 20.134 3.425 -15.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.952 1.568 -15.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 20.079 0.762 -14.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.796 1.620 -13.752 1.00 0.00 H new ATOM 1135 N ASP A 74 26.615 1.825 -16.770 1.00 0.00 N ATOM 1136 CA ASP A 74 28.066 1.778 -16.636 1.00 0.00 C ATOM 1137 C ASP A 74 28.474 1.191 -15.290 1.00 0.00 C ATOM 1138 O ASP A 74 29.557 0.621 -15.152 1.00 0.00 O ATOM 1139 CB ASP A 74 28.660 3.179 -16.796 1.00 0.00 C ATOM 1140 CG ASP A 74 28.508 3.715 -18.207 1.00 0.00 C ATOM 1141 OD1 ASP A 74 28.214 2.913 -19.118 1.00 0.00 O ATOM 1142 OD2 ASP A 74 28.684 4.935 -18.400 1.00 0.00 O ATOM 0 H ASP A 74 26.235 2.760 -16.919 1.00 0.00 H new ATOM 0 HA ASP A 74 28.455 1.133 -17.424 1.00 0.00 H new ATOM 0 HB2 ASP A 74 28.172 3.859 -16.098 1.00 0.00 H new ATOM 0 HB3 ASP A 74 29.717 3.155 -16.532 1.00 0.00 H new ATOM 1147 N ASN A 75 27.598 1.334 -14.300 1.00 0.00 N ATOM 1148 CA ASN A 75 27.856 0.819 -12.955 1.00 0.00 C ATOM 1149 C ASN A 75 28.851 1.697 -12.195 1.00 0.00 C ATOM 1150 O ASN A 75 29.204 1.401 -11.053 1.00 0.00 O ATOM 1151 CB ASN A 75 28.387 -0.613 -13.024 1.00 0.00 C ATOM 1152 CG ASN A 75 28.220 -1.357 -11.712 1.00 0.00 C ATOM 1153 OD1 ASN A 75 27.102 -1.566 -11.241 1.00 0.00 O ATOM 1154 ND2 ASN A 75 29.335 -1.760 -11.115 1.00 0.00 N ATOM 0 H ASN A 75 26.699 1.804 -14.403 1.00 0.00 H new ATOM 0 HA ASN A 75 26.909 0.831 -12.416 1.00 0.00 H new ATOM 0 HB2 ASN A 75 27.865 -1.153 -13.814 1.00 0.00 H new ATOM 0 HB3 ASN A 75 29.443 -0.593 -13.295 1.00 0.00 H new ATOM 0 HD21 ASN A 75 29.286 -2.265 -10.230 1.00 0.00 H new ATOM 0 HD22 ASN A 75 30.241 -1.565 -11.541 1.00 0.00 H new ATOM 1161 N GLU A 76 29.303 2.776 -12.830 1.00 0.00 N ATOM 1162 CA GLU A 76 30.256 3.686 -12.205 1.00 0.00 C ATOM 1163 C GLU A 76 29.539 4.676 -11.290 1.00 0.00 C ATOM 1164 O GLU A 76 29.614 5.889 -11.488 1.00 0.00 O ATOM 1165 CB GLU A 76 31.050 4.439 -13.274 1.00 0.00 C ATOM 1166 CG GLU A 76 31.917 3.535 -14.136 1.00 0.00 C ATOM 1167 CD GLU A 76 32.741 4.309 -15.148 1.00 0.00 C ATOM 1168 OE1 GLU A 76 32.460 5.508 -15.350 1.00 0.00 O ATOM 1169 OE2 GLU A 76 33.668 3.713 -15.737 1.00 0.00 O ATOM 0 H GLU A 76 29.025 3.040 -13.775 1.00 0.00 H new ATOM 0 HA GLU A 76 30.946 3.096 -11.602 1.00 0.00 H new ATOM 0 HB2 GLU A 76 30.356 4.982 -13.915 1.00 0.00 H new ATOM 0 HB3 GLU A 76 31.684 5.182 -12.789 1.00 0.00 H new ATOM 0 HG2 GLU A 76 32.584 2.958 -13.495 1.00 0.00 H new ATOM 0 HG3 GLU A 76 31.282 2.821 -14.660 1.00 0.00 H new ATOM 1176 N GLY A 77 28.843 4.148 -10.289 1.00 0.00 N ATOM 1177 CA GLY A 77 28.123 4.997 -9.359 1.00 0.00 C ATOM 1178 C GLY A 77 26.715 5.319 -9.829 1.00 0.00 C ATOM 1179 O GLY A 77 26.048 6.182 -9.259 1.00 0.00 O ATOM 0 H GLY A 77 28.765 3.148 -10.105 1.00 0.00 H new ATOM 0 HA2 GLY A 77 28.074 4.505 -8.388 1.00 0.00 H new ATOM 0 HA3 GLY A 77 28.676 5.926 -9.218 1.00 0.00 H new ATOM 1183 N ASN A 78 26.260 4.624 -10.868 1.00 0.00 N ATOM 1184 CA ASN A 78 24.922 4.846 -11.407 1.00 0.00 C ATOM 1185 C ASN A 78 23.860 4.275 -10.474 1.00 0.00 C ATOM 1186 O ASN A 78 24.062 3.234 -9.849 1.00 0.00 O ATOM 1187 CB ASN A 78 24.795 4.212 -12.792 1.00 0.00 C ATOM 1188 CG ASN A 78 25.652 4.912 -13.829 1.00 0.00 C ATOM 1189 OD1 ASN A 78 26.913 4.506 -13.928 1.00 0.00 O flip ATOM 1190 ND2 ASN A 78 25.187 5.810 -14.532 1.00 0.00 N flip ATOM 0 H ASN A 78 26.797 3.904 -11.352 1.00 0.00 H new ATOM 0 HA ASN A 78 24.765 5.921 -11.493 1.00 0.00 H new ATOM 0 HB2 ASN A 78 25.083 3.162 -12.736 1.00 0.00 H new ATOM 0 HB3 ASN A 78 23.752 4.240 -13.107 1.00 0.00 H new ATOM 0 HD21 ASN A 78 24.212 6.090 -14.423 1.00 0.00 H new ATOM 0 HD22 ASN A 78 25.776 6.273 -15.224 1.00 0.00 H new ATOM 1197 N GLU A 79 22.726 4.963 -10.384 1.00 0.00 N ATOM 1198 CA GLU A 79 21.631 4.524 -9.526 1.00 0.00 C ATOM 1199 C GLU A 79 20.548 3.823 -10.340 1.00 0.00 C ATOM 1200 O GLU A 79 20.287 4.185 -11.488 1.00 0.00 O ATOM 1201 CB GLU A 79 21.031 5.717 -8.780 1.00 0.00 C ATOM 1202 CG GLU A 79 19.957 5.330 -7.777 1.00 0.00 C ATOM 1203 CD GLU A 79 19.297 6.533 -7.136 1.00 0.00 C ATOM 1204 OE1 GLU A 79 19.990 7.273 -6.406 1.00 0.00 O ATOM 1205 OE2 GLU A 79 18.086 6.738 -7.364 1.00 0.00 O ATOM 0 H GLU A 79 22.541 5.827 -10.895 1.00 0.00 H new ATOM 0 HA GLU A 79 22.032 3.815 -8.802 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.828 6.248 -8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 79 20.606 6.412 -9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.198 4.728 -8.277 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.399 4.706 -7.000 1.00 0.00 H new ATOM 1212 N VAL A 80 19.922 2.817 -9.739 1.00 0.00 N ATOM 1213 CA VAL A 80 18.867 2.063 -10.405 1.00 0.00 C ATOM 1214 C VAL A 80 17.602 2.020 -9.555 1.00 0.00 C ATOM 1215 O VAL A 80 17.664 2.114 -8.329 1.00 0.00 O ATOM 1216 CB VAL A 80 19.314 0.623 -10.718 1.00 0.00 C ATOM 1217 CG1 VAL A 80 20.483 0.626 -11.691 1.00 0.00 C ATOM 1218 CG2 VAL A 80 19.679 -0.115 -9.438 1.00 0.00 C ATOM 0 H VAL A 80 20.128 2.505 -8.790 1.00 0.00 H new ATOM 0 HA VAL A 80 18.654 2.578 -11.342 1.00 0.00 H new ATOM 0 HB VAL A 80 18.481 0.099 -11.187 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.785 -0.400 -11.900 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.183 1.112 -12.619 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.320 1.168 -11.252 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.992 -1.131 -9.680 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.495 0.407 -8.937 1.00 0.00 H new ATOM 0 HG23 VAL A 80 18.812 -0.150 -8.778 1.00 0.00 H new ATOM 1228 N VAL A 81 16.456 1.876 -10.212 1.00 0.00 N ATOM 1229 CA VAL A 81 15.178 1.820 -9.514 1.00 0.00 C ATOM 1230 C VAL A 81 15.003 0.484 -8.795 1.00 0.00 C ATOM 1231 O VAL A 81 15.341 -0.569 -9.336 1.00 0.00 O ATOM 1232 CB VAL A 81 14.000 2.024 -10.484 1.00 0.00 C ATOM 1233 CG1 VAL A 81 13.929 3.474 -10.942 1.00 0.00 C ATOM 1234 CG2 VAL A 81 14.119 1.086 -11.675 1.00 0.00 C ATOM 0 H VAL A 81 16.387 1.796 -11.226 1.00 0.00 H new ATOM 0 HA VAL A 81 15.181 2.627 -8.782 1.00 0.00 H new ATOM 0 HB VAL A 81 13.075 1.788 -9.957 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.090 3.599 -11.627 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.790 4.122 -10.077 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.855 3.741 -11.451 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.277 1.245 -12.349 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.051 1.286 -12.204 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.114 0.053 -11.327 1.00 0.00 H new ATOM 1244 N PRO A 82 14.471 0.504 -7.559 1.00 0.00 N ATOM 1245 CA PRO A 82 14.256 -0.716 -6.773 1.00 0.00 C ATOM 1246 C PRO A 82 13.422 -1.748 -7.525 1.00 0.00 C ATOM 1247 O PRO A 82 12.601 -1.397 -8.374 1.00 0.00 O ATOM 1248 CB PRO A 82 13.502 -0.222 -5.535 1.00 0.00 C ATOM 1249 CG PRO A 82 13.855 1.220 -5.423 1.00 0.00 C ATOM 1250 CD PRO A 82 14.038 1.713 -6.831 1.00 0.00 C ATOM 0 HA PRO A 82 15.195 -1.218 -6.541 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.426 -0.358 -5.647 1.00 0.00 H new ATOM 0 HB3 PRO A 82 13.802 -0.773 -4.644 1.00 0.00 H new ATOM 0 HG2 PRO A 82 13.067 1.776 -4.914 1.00 0.00 H new ATOM 0 HG3 PRO A 82 14.767 1.354 -4.841 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.112 2.119 -7.239 1.00 0.00 H new ATOM 0 HD3 PRO A 82 14.785 2.505 -6.886 1.00 0.00 H new ATOM 1258 N LYS A 83 13.635 -3.021 -7.207 1.00 0.00 N ATOM 1259 CA LYS A 83 12.900 -4.102 -7.853 1.00 0.00 C ATOM 1260 C LYS A 83 11.400 -3.960 -7.609 1.00 0.00 C ATOM 1261 O LYS A 83 10.976 -3.266 -6.685 1.00 0.00 O ATOM 1262 CB LYS A 83 13.386 -5.456 -7.333 1.00 0.00 C ATOM 1263 CG LYS A 83 14.615 -5.980 -8.058 1.00 0.00 C ATOM 1264 CD LYS A 83 15.837 -5.120 -7.776 1.00 0.00 C ATOM 1265 CE LYS A 83 17.127 -5.890 -8.011 1.00 0.00 C ATOM 1266 NZ LYS A 83 18.310 -5.165 -7.476 1.00 0.00 N ATOM 0 H LYS A 83 14.310 -3.329 -6.507 1.00 0.00 H new ATOM 0 HA LYS A 83 13.083 -4.044 -8.926 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.611 -5.368 -6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.580 -6.183 -7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.812 -7.006 -7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.424 -6.002 -9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 83 15.817 -4.237 -8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 83 15.805 -4.768 -6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 83 17.057 -6.869 -7.538 1.00 0.00 H new ATOM 0 HE3 LYS A 83 17.258 -6.061 -9.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 19.169 -5.722 -7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 18.392 -4.241 -7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 18.197 -5.024 -6.452 1.00 0.00 H new ATOM 1280 N PRO A 84 10.572 -4.615 -8.441 1.00 0.00 N ATOM 1281 CA PRO A 84 9.112 -4.557 -8.308 1.00 0.00 C ATOM 1282 C PRO A 84 8.616 -5.266 -7.054 1.00 0.00 C ATOM 1283 O PRO A 84 8.380 -6.475 -7.066 1.00 0.00 O ATOM 1284 CB PRO A 84 8.610 -5.272 -9.564 1.00 0.00 C ATOM 1285 CG PRO A 84 9.725 -6.177 -9.957 1.00 0.00 C ATOM 1286 CD PRO A 84 10.991 -5.467 -9.570 1.00 0.00 C ATOM 0 HA PRO A 84 8.752 -3.532 -8.215 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.698 -5.833 -9.362 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.378 -4.562 -10.358 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.645 -7.138 -9.448 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.703 -6.380 -11.028 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.772 -6.169 -9.276 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.388 -4.875 -10.395 1.00 0.00 H new ATOM 1294 N GLN A 85 8.458 -4.507 -5.976 1.00 0.00 N ATOM 1295 CA GLN A 85 7.986 -5.064 -4.713 1.00 0.00 C ATOM 1296 C GLN A 85 6.485 -4.855 -4.556 1.00 0.00 C ATOM 1297 O GLN A 85 5.968 -3.770 -4.823 1.00 0.00 O ATOM 1298 CB GLN A 85 8.729 -4.422 -3.540 1.00 0.00 C ATOM 1299 CG GLN A 85 10.222 -4.710 -3.535 1.00 0.00 C ATOM 1300 CD GLN A 85 10.944 -4.024 -2.392 1.00 0.00 C ATOM 1301 OE1 GLN A 85 10.415 -3.101 -1.773 1.00 0.00 O ATOM 1302 NE2 GLN A 85 12.160 -4.475 -2.105 1.00 0.00 N ATOM 0 H GLN A 85 8.649 -3.505 -5.951 1.00 0.00 H new ATOM 0 HA GLN A 85 8.187 -6.135 -4.718 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.576 -3.343 -3.570 1.00 0.00 H new ATOM 0 HB3 GLN A 85 8.295 -4.780 -2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.380 -5.786 -3.466 1.00 0.00 H new ATOM 0 HG3 GLN A 85 10.654 -4.384 -4.481 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.560 -5.243 -2.645 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.694 -4.054 -1.345 1.00 0.00 H new ATOM 1311 N ARG A 86 5.789 -5.899 -4.119 1.00 0.00 N ATOM 1312 CA ARG A 86 4.346 -5.830 -3.926 1.00 0.00 C ATOM 1313 C ARG A 86 3.989 -5.910 -2.446 1.00 0.00 C ATOM 1314 O ARG A 86 4.628 -6.633 -1.681 1.00 0.00 O ATOM 1315 CB ARG A 86 3.652 -6.960 -4.691 1.00 0.00 C ATOM 1316 CG ARG A 86 4.054 -8.349 -4.224 1.00 0.00 C ATOM 1317 CD ARG A 86 3.079 -8.893 -3.191 1.00 0.00 C ATOM 1318 NE ARG A 86 3.446 -10.233 -2.746 1.00 0.00 N ATOM 1319 CZ ARG A 86 4.488 -10.495 -1.960 1.00 0.00 C ATOM 1320 NH1 ARG A 86 5.271 -9.511 -1.534 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.750 -11.743 -1.600 1.00 0.00 N ATOM 0 H ARG A 86 6.202 -6.804 -3.892 1.00 0.00 H new ATOM 0 HA ARG A 86 4.000 -4.872 -4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.573 -6.849 -4.586 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.881 -6.863 -5.752 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.094 -9.024 -5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.056 -8.315 -3.797 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.048 -8.222 -2.333 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.075 -8.914 -3.616 1.00 0.00 H new ATOM 0 HE ARG A 86 2.870 -11.016 -3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.076 -8.548 -1.809 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.068 -9.718 -0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.153 -12.504 -1.925 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.549 -11.943 -0.998 1.00 0.00 H new ATOM 1335 N HIS A 87 2.965 -5.162 -2.048 1.00 0.00 N ATOM 1336 CA HIS A 87 2.523 -5.148 -0.658 1.00 0.00 C ATOM 1337 C HIS A 87 1.120 -5.731 -0.528 1.00 0.00 C ATOM 1338 O HIS A 87 0.146 -5.138 -0.994 1.00 0.00 O ATOM 1339 CB HIS A 87 2.548 -3.723 -0.107 1.00 0.00 C ATOM 1340 CG HIS A 87 3.919 -3.240 0.249 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.311 -2.970 1.544 1.00 0.00 N ATOM 1342 CD2 HIS A 87 4.997 -2.981 -0.530 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.568 -2.564 1.546 1.00 0.00 C ATOM 1344 NE2 HIS A 87 6.007 -2.562 0.301 1.00 0.00 N ATOM 0 H HIS A 87 2.426 -4.558 -2.668 1.00 0.00 H new ATOM 0 HA HIS A 87 3.209 -5.766 -0.079 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.116 -3.049 -0.847 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.914 -3.674 0.778 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.052 -3.085 -1.604 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.139 -2.282 2.418 1.00 0.00 H new ATOM 0 HE2 HIS A 87 6.945 -2.293 0.004 1.00 0.00 H new ATOM 1353 N MET A 88 1.023 -6.892 0.109 1.00 0.00 N ATOM 1354 CA MET A 88 -0.264 -7.551 0.301 1.00 0.00 C ATOM 1355 C MET A 88 -0.886 -7.136 1.630 1.00 0.00 C ATOM 1356 O MET A 88 -0.322 -7.385 2.695 1.00 0.00 O ATOM 1357 CB MET A 88 -0.096 -9.071 0.254 1.00 0.00 C ATOM 1358 CG MET A 88 0.425 -9.584 -1.078 1.00 0.00 C ATOM 1359 SD MET A 88 0.458 -11.386 -1.161 1.00 0.00 S ATOM 1360 CE MET A 88 1.566 -11.767 0.192 1.00 0.00 C ATOM 0 H MET A 88 1.818 -7.396 0.501 1.00 0.00 H new ATOM 0 HA MET A 88 -0.929 -7.244 -0.506 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.589 -9.377 1.045 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.057 -9.541 0.464 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.202 -9.198 -1.882 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.431 -9.198 -1.244 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.940 -12.785 0.080 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.403 -11.069 0.184 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.030 -11.679 1.137 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.051 -6.499 1.560 1.00 0.00 N ATOM 1371 CA PHE A 89 -2.745 -6.046 2.760 1.00 0.00 C ATOM 1372 C PHE A 89 -4.044 -6.816 2.970 1.00 0.00 C ATOM 1373 O PHE A 89 -4.617 -7.360 2.026 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.039 -4.550 2.667 1.00 0.00 C ATOM 1375 CG PHE A 89 -1.816 -3.690 2.801 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.316 -3.367 4.051 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.165 -3.208 1.677 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.190 -2.576 4.180 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.039 -2.417 1.798 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.449 -2.100 3.051 1.00 0.00 C ATOM 0 H PHE A 89 -2.533 -6.285 0.687 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.094 -6.233 3.614 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.518 -4.341 1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.751 -4.279 3.446 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.812 -3.738 4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.542 -3.453 0.695 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.190 -2.331 5.161 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.459 -2.047 0.914 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.329 -1.481 3.148 1.00 0.00 H new ATOM 1390 N SER A 90 -4.506 -6.846 4.214 1.00 0.00 N ATOM 1391 CA SER A 90 -5.743 -7.539 4.558 1.00 0.00 C ATOM 1392 C SER A 90 -6.690 -6.603 5.303 1.00 0.00 C ATOM 1393 O SER A 90 -6.352 -6.082 6.364 1.00 0.00 O ATOM 1394 CB SER A 90 -5.443 -8.775 5.411 1.00 0.00 C ATOM 1395 OG SER A 90 -5.456 -9.952 4.625 1.00 0.00 O ATOM 0 H SER A 90 -4.042 -6.397 5.004 1.00 0.00 H new ATOM 0 HA SER A 90 -6.225 -7.860 3.635 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.469 -8.664 5.888 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.181 -8.858 6.208 1.00 0.00 H new ATOM 0 HG SER A 90 -5.261 -10.727 5.193 1.00 0.00 H new ATOM 1401 N PHE A 91 -7.869 -6.386 4.734 1.00 0.00 N ATOM 1402 CA PHE A 91 -8.855 -5.504 5.338 1.00 0.00 C ATOM 1403 C PHE A 91 -9.903 -6.280 6.119 1.00 0.00 C ATOM 1404 O PHE A 91 -10.389 -7.319 5.671 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.540 -4.668 4.261 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.776 -3.437 3.891 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.743 -3.499 2.972 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.089 -2.218 4.465 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.034 -2.365 2.631 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.384 -1.077 4.130 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.354 -1.151 3.210 1.00 0.00 C ATOM 0 H PHE A 91 -8.164 -6.810 3.854 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.327 -4.852 6.034 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.681 -5.281 3.371 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.532 -4.380 4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.489 -4.445 2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.893 -2.157 5.183 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.230 -2.426 1.913 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.637 -0.131 4.585 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.801 -0.262 2.944 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.260 -5.753 7.282 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.268 -6.377 8.123 1.00 0.00 C ATOM 1423 C ASN A 92 -12.613 -5.673 7.953 1.00 0.00 C ATOM 1424 O ASN A 92 -13.536 -5.884 8.739 1.00 0.00 O ATOM 1425 CB ASN A 92 -10.839 -6.338 9.590 1.00 0.00 C ATOM 1426 CG ASN A 92 -9.655 -7.242 9.871 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -8.648 -6.808 10.431 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -9.771 -8.507 9.483 1.00 0.00 N ATOM 0 H ASN A 92 -9.865 -4.894 7.664 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.374 -7.418 7.817 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.584 -5.314 9.864 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -11.678 -6.637 10.219 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.007 -9.163 9.646 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.624 -8.823 9.022 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.716 -4.831 6.922 1.00 0.00 N ATOM 1436 CA ASN A 93 -13.948 -4.101 6.663 1.00 0.00 C ATOM 1437 C ASN A 93 -14.090 -3.759 5.185 1.00 0.00 C ATOM 1438 O ASN A 93 -13.181 -3.192 4.578 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.999 -2.826 7.505 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.613 -3.058 8.871 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.770 -3.461 8.985 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -13.836 -2.806 9.919 1.00 0.00 N ATOM 0 H ASN A 93 -11.964 -4.642 6.260 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.781 -4.746 6.942 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -12.989 -2.433 7.626 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -14.575 -2.067 6.975 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -14.193 -2.946 10.864 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -12.882 -2.473 9.778 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.239 -4.105 4.613 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.505 -3.831 3.208 1.00 0.00 C ATOM 1451 C ARG A 94 -15.520 -2.331 2.944 1.00 0.00 C ATOM 1452 O ARG A 94 -14.932 -1.855 1.973 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.839 -4.452 2.786 1.00 0.00 C ATOM 1454 CG ARG A 94 -17.133 -4.313 1.302 1.00 0.00 C ATOM 1455 CD ARG A 94 -18.437 -4.995 0.925 1.00 0.00 C ATOM 1456 NE ARG A 94 -19.599 -4.297 1.471 1.00 0.00 N ATOM 1457 CZ ARG A 94 -20.819 -4.824 1.534 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -21.043 -6.053 1.085 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -21.820 -4.121 2.046 1.00 0.00 N ATOM 0 H ARG A 94 -16.000 -4.576 5.102 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.705 -4.278 2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.837 -5.510 3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.644 -3.983 3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -17.184 -3.257 1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.315 -4.746 0.726 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -18.520 -5.043 -0.161 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.427 -6.022 1.289 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.467 -3.349 1.825 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -20.278 -6.599 0.689 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.980 -6.452 1.136 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -21.655 -3.176 2.392 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -22.755 -4.526 2.094 1.00 0.00 H new ATOM 1473 N THR A 95 -16.194 -1.591 3.814 1.00 0.00 N ATOM 1474 CA THR A 95 -16.282 -0.159 3.686 1.00 0.00 C ATOM 1475 C THR A 95 -14.921 0.484 3.892 1.00 0.00 C ATOM 1476 O THR A 95 -14.588 1.486 3.259 1.00 0.00 O ATOM 1477 CB THR A 95 -17.278 0.362 4.711 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.151 -0.673 5.133 1.00 0.00 O ATOM 1479 CG2 THR A 95 -18.130 1.486 4.192 1.00 0.00 C ATOM 0 H THR A 95 -16.689 -1.972 4.620 1.00 0.00 H new ATOM 0 HA THR A 95 -16.620 0.096 2.682 1.00 0.00 H new ATOM 0 HB THR A 95 -16.673 0.734 5.538 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.783 -0.319 5.793 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.818 1.811 4.972 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.493 2.321 3.900 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.698 1.143 3.327 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.138 -0.108 4.780 1.00 0.00 N ATOM 1488 CA VAL A 96 -12.805 0.393 5.078 1.00 0.00 C ATOM 1489 C VAL A 96 -11.862 0.151 3.910 1.00 0.00 C ATOM 1490 O VAL A 96 -11.017 0.991 3.598 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.226 -0.252 6.354 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -10.810 0.242 6.616 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.122 0.034 7.548 1.00 0.00 C ATOM 0 H VAL A 96 -14.404 -0.939 5.309 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.897 1.466 5.248 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.186 -1.331 6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.423 -0.227 7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.172 -0.018 5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.820 1.324 6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.699 -0.428 8.440 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.196 1.111 7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.115 -0.375 7.364 1.00 0.00 H new ATOM 1503 N MET A 97 -12.015 -0.993 3.265 1.00 0.00 N ATOM 1504 CA MET A 97 -11.173 -1.330 2.122 1.00 0.00 C ATOM 1505 C MET A 97 -11.576 -0.508 0.905 1.00 0.00 C ATOM 1506 O MET A 97 -10.733 -0.131 0.092 1.00 0.00 O ATOM 1507 CB MET A 97 -11.265 -2.821 1.800 1.00 0.00 C ATOM 1508 CG MET A 97 -12.665 -3.280 1.448 1.00 0.00 C ATOM 1509 SD MET A 97 -12.706 -4.966 0.810 1.00 0.00 S ATOM 1510 CE MET A 97 -11.717 -4.793 -0.672 1.00 0.00 C ATOM 0 H MET A 97 -12.708 -1.701 3.508 1.00 0.00 H new ATOM 0 HA MET A 97 -10.141 -1.095 2.381 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.598 -3.046 0.968 1.00 0.00 H new ATOM 0 HB3 MET A 97 -10.909 -3.392 2.658 1.00 0.00 H new ATOM 0 HG2 MET A 97 -13.297 -3.216 2.334 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.088 -2.604 0.705 1.00 0.00 H new ATOM 0 HE1 MET A 97 -12.191 -5.335 -1.491 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.635 -3.738 -0.934 1.00 0.00 H new ATOM 0 HE3 MET A 97 -10.722 -5.201 -0.495 1.00 0.00 H new ATOM 1520 N ASP A 98 -12.872 -0.228 0.790 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.383 0.553 -0.323 1.00 0.00 C ATOM 1522 C ASP A 98 -13.069 2.031 -0.137 1.00 0.00 C ATOM 1523 O ASP A 98 -12.902 2.769 -1.108 1.00 0.00 O ATOM 1524 CB ASP A 98 -14.892 0.351 -0.471 1.00 0.00 C ATOM 1525 CG ASP A 98 -15.439 0.974 -1.741 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -14.632 1.312 -2.632 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -16.675 1.126 -1.843 1.00 0.00 O ATOM 0 H ASP A 98 -13.583 -0.532 1.455 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.891 0.207 -1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.115 -0.716 -0.468 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.400 0.785 0.391 1.00 0.00 H new ATOM 1532 N ASN A 99 -12.985 2.453 1.117 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.686 3.842 1.435 1.00 0.00 C ATOM 1534 C ASN A 99 -11.231 4.162 1.130 1.00 0.00 C ATOM 1535 O ASN A 99 -10.895 5.276 0.732 1.00 0.00 O ATOM 1536 CB ASN A 99 -12.991 4.133 2.905 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.479 4.215 3.183 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -15.287 4.350 2.264 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -14.849 4.137 4.456 1.00 0.00 N ATOM 0 H ASN A 99 -13.120 1.853 1.931 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.319 4.476 0.814 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.551 3.352 3.526 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.519 5.072 3.192 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.837 4.189 4.704 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.145 4.025 5.186 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.375 3.170 1.320 1.00 0.00 N ATOM 1547 CA ILE A 100 -8.948 3.325 1.068 1.00 0.00 C ATOM 1548 C ILE A 100 -8.615 3.050 -0.396 1.00 0.00 C ATOM 1549 O ILE A 100 -7.833 3.776 -1.011 1.00 0.00 O ATOM 1550 CB ILE A 100 -8.120 2.375 1.959 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.414 2.639 3.438 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.633 2.531 1.672 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.898 3.972 3.933 1.00 0.00 C ATOM 0 H ILE A 100 -10.644 2.243 1.650 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.691 4.357 1.307 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.406 1.349 1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.491 2.594 3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.969 1.843 4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.066 1.853 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.437 2.294 0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.329 3.558 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.144 4.088 4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.816 4.014 3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.362 4.776 3.362 1.00 0.00 H new ATOM 1565 N LYS A 101 -9.211 1.996 -0.945 1.00 0.00 N ATOM 1566 CA LYS A 101 -8.975 1.618 -2.334 1.00 0.00 C ATOM 1567 C LYS A 101 -9.228 2.790 -3.278 1.00 0.00 C ATOM 1568 O LYS A 101 -8.545 2.942 -4.291 1.00 0.00 O ATOM 1569 CB LYS A 101 -9.867 0.439 -2.720 1.00 0.00 C ATOM 1570 CG LYS A 101 -9.601 -0.093 -4.119 1.00 0.00 C ATOM 1571 CD LYS A 101 -10.389 -1.365 -4.391 1.00 0.00 C ATOM 1572 CE LYS A 101 -11.876 -1.082 -4.519 1.00 0.00 C ATOM 1573 NZ LYS A 101 -12.147 0.070 -5.424 1.00 0.00 N ATOM 0 H LYS A 101 -9.862 1.388 -0.448 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.929 1.325 -2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.722 -0.367 -2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.911 0.745 -2.649 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.868 0.666 -4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.536 -0.291 -4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.026 -1.830 -5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.221 -2.078 -3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.383 -1.969 -4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.292 -0.875 -3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.127 0.018 -5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.009 0.960 -4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.494 0.037 -6.233 1.00 0.00 H new ATOM 1587 N MET A 102 -10.215 3.616 -2.943 1.00 0.00 N ATOM 1588 CA MET A 102 -10.553 4.769 -3.769 1.00 0.00 C ATOM 1589 C MET A 102 -9.504 5.861 -3.642 1.00 0.00 C ATOM 1590 O MET A 102 -9.005 6.381 -4.640 1.00 0.00 O ATOM 1591 CB MET A 102 -11.930 5.315 -3.388 1.00 0.00 C ATOM 1592 CG MET A 102 -13.077 4.397 -3.777 1.00 0.00 C ATOM 1593 SD MET A 102 -14.692 5.108 -3.407 1.00 0.00 S ATOM 1594 CE MET A 102 -15.771 3.746 -3.843 1.00 0.00 C ATOM 0 H MET A 102 -10.792 3.509 -2.109 1.00 0.00 H new ATOM 0 HA MET A 102 -10.578 4.440 -4.808 1.00 0.00 H new ATOM 0 HB2 MET A 102 -11.960 5.484 -2.312 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.073 6.284 -3.867 1.00 0.00 H new ATOM 0 HG2 MET A 102 -13.016 4.178 -4.843 1.00 0.00 H new ATOM 0 HG3 MET A 102 -12.973 3.448 -3.250 1.00 0.00 H new ATOM 0 HE1 MET A 102 -16.543 4.098 -4.527 1.00 0.00 H new ATOM 0 HE2 MET A 102 -15.189 2.961 -4.326 1.00 0.00 H new ATOM 0 HE3 MET A 102 -16.238 3.349 -2.942 1.00 0.00 H new ATOM 1604 N THR A 103 -9.173 6.199 -2.411 1.00 0.00 N ATOM 1605 CA THR A 103 -8.191 7.218 -2.134 1.00 0.00 C ATOM 1606 C THR A 103 -6.833 6.823 -2.698 1.00 0.00 C ATOM 1607 O THR A 103 -6.095 7.661 -3.216 1.00 0.00 O ATOM 1608 CB THR A 103 -8.106 7.417 -0.629 1.00 0.00 C ATOM 1609 OG1 THR A 103 -9.304 6.999 0.000 1.00 0.00 O ATOM 1610 CG2 THR A 103 -7.869 8.849 -0.236 1.00 0.00 C ATOM 0 H THR A 103 -9.579 5.773 -1.578 1.00 0.00 H new ATOM 0 HA THR A 103 -8.489 8.151 -2.612 1.00 0.00 H new ATOM 0 HB THR A 103 -7.256 6.816 -0.304 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.241 6.047 0.224 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.818 8.925 0.850 1.00 0.00 H new ATOM 0 HG22 THR A 103 -6.930 9.194 -0.668 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.687 9.468 -0.605 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.513 5.538 -2.600 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.247 5.029 -3.105 1.00 0.00 C ATOM 1620 C LEU A 104 -5.199 5.125 -4.625 1.00 0.00 C ATOM 1621 O LEU A 104 -4.146 5.391 -5.203 1.00 0.00 O ATOM 1622 CB LEU A 104 -5.037 3.579 -2.665 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.760 3.389 -1.173 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.490 1.925 -0.862 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.587 4.252 -0.735 1.00 0.00 C ATOM 0 H LEU A 104 -7.113 4.831 -2.175 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.446 5.640 -2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.923 3.003 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.204 3.161 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.644 3.701 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.295 1.809 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.359 1.328 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.622 1.587 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.404 4.104 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.698 3.970 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.817 5.301 -0.921 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.343 4.909 -5.268 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.419 4.978 -6.722 1.00 0.00 C ATOM 1639 C GLN A 105 -6.233 6.411 -7.200 1.00 0.00 C ATOM 1640 O GLN A 105 -5.654 6.656 -8.258 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.752 4.396 -7.220 1.00 0.00 C ATOM 1642 CG GLN A 105 -8.826 5.436 -7.512 1.00 0.00 C ATOM 1643 CD GLN A 105 -8.741 5.982 -8.924 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -8.780 5.228 -9.897 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -8.623 7.299 -9.043 1.00 0.00 N ATOM 0 H GLN A 105 -7.225 4.686 -4.807 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.612 4.377 -7.141 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.566 3.820 -8.126 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.132 3.700 -6.472 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -9.809 4.991 -7.357 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -8.733 6.258 -6.802 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.595 7.886 -8.209 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -8.561 7.724 -9.968 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.719 7.352 -6.406 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.599 8.762 -6.739 1.00 0.00 C ATOM 1656 C GLN A 106 -5.138 9.185 -6.707 1.00 0.00 C ATOM 1657 O GLN A 106 -4.680 9.942 -7.562 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.418 9.618 -5.771 1.00 0.00 C ATOM 1659 CG GLN A 106 -8.918 9.401 -5.889 1.00 0.00 C ATOM 1660 CD GLN A 106 -9.710 10.280 -4.941 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -9.862 9.960 -3.761 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -10.219 11.395 -5.452 1.00 0.00 N ATOM 0 H GLN A 106 -7.200 7.165 -5.526 1.00 0.00 H new ATOM 0 HA GLN A 106 -6.989 8.913 -7.745 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.106 9.397 -4.750 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.196 10.670 -5.951 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.231 9.603 -6.913 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.147 8.355 -5.686 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.068 11.621 -6.435 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -10.761 12.026 -4.861 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.402 8.669 -5.727 1.00 0.00 N ATOM 1672 CA ILE A 107 -2.986 8.975 -5.602 1.00 0.00 C ATOM 1673 C ILE A 107 -2.255 8.562 -6.873 1.00 0.00 C ATOM 1674 O ILE A 107 -1.434 9.308 -7.406 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.363 8.256 -4.389 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -3.052 8.703 -3.098 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -0.868 8.522 -4.319 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.759 7.810 -1.913 1.00 0.00 C ATOM 0 H ILE A 107 -4.764 8.039 -5.011 1.00 0.00 H new ATOM 0 HA ILE A 107 -2.884 10.050 -5.451 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.511 7.183 -4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.738 9.720 -2.862 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.129 8.732 -3.263 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.447 8.006 -3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.391 8.158 -5.229 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.693 9.594 -4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.281 8.189 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.099 6.797 -2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.686 7.800 -1.721 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.581 7.373 -7.362 1.00 0.00 N ATOM 1691 CA ILE A 108 -1.986 6.850 -8.588 1.00 0.00 C ATOM 1692 C ILE A 108 -2.115 7.861 -9.707 1.00 0.00 C ATOM 1693 O ILE A 108 -1.144 8.221 -10.371 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.682 5.552 -9.045 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -2.957 4.626 -7.863 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -1.848 4.854 -10.101 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -1.803 4.504 -6.892 1.00 0.00 C ATOM 0 H ILE A 108 -3.259 6.748 -6.926 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.938 6.645 -8.371 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.644 5.816 -9.483 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.833 4.990 -7.326 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.205 3.635 -8.242 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.350 3.939 -10.415 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.723 5.513 -10.960 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.870 4.607 -9.688 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.079 3.829 -6.082 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.930 4.109 -7.412 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.567 5.486 -6.482 1.00 0.00 H new ATOM 1709 N SER A 109 -3.341 8.304 -9.897 1.00 0.00 N ATOM 1710 CA SER A 109 -3.665 9.279 -10.932 1.00 0.00 C ATOM 1711 C SER A 109 -2.788 10.521 -10.816 1.00 0.00 C ATOM 1712 O SER A 109 -2.500 11.185 -11.813 1.00 0.00 O ATOM 1713 CB SER A 109 -5.141 9.674 -10.848 1.00 0.00 C ATOM 1714 OG SER A 109 -5.978 8.532 -10.922 1.00 0.00 O ATOM 0 H SER A 109 -4.143 8.003 -9.343 1.00 0.00 H new ATOM 0 HA SER A 109 -3.473 8.814 -11.899 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.326 10.205 -9.914 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.384 10.361 -11.659 1.00 0.00 H new ATOM 0 HG SER A 109 -6.916 8.810 -10.864 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.370 10.830 -9.598 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.528 11.993 -9.354 1.00 0.00 C ATOM 1722 C ARG A 110 -0.120 11.768 -9.881 1.00 0.00 C ATOM 1723 O ARG A 110 0.531 12.693 -10.366 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.485 12.324 -7.861 1.00 0.00 C ATOM 1725 CG ARG A 110 -2.842 12.678 -7.276 1.00 0.00 C ATOM 1726 CD ARG A 110 -2.729 13.098 -5.819 1.00 0.00 C ATOM 1727 NE ARG A 110 -4.039 13.242 -5.188 1.00 0.00 N ATOM 1728 CZ ARG A 110 -4.245 13.906 -4.052 1.00 0.00 C ATOM 1729 NH1 ARG A 110 -3.232 14.486 -3.421 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -5.468 13.987 -3.546 1.00 0.00 N ATOM 0 H ARG A 110 -2.600 10.292 -8.762 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.963 12.838 -9.888 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.077 11.470 -7.320 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.802 13.158 -7.702 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.289 13.486 -7.855 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.509 11.820 -7.358 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.143 12.359 -5.273 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.190 14.043 -5.755 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.842 12.809 -5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.289 14.425 -3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.396 14.993 -2.551 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.249 13.541 -4.027 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.627 14.495 -2.676 1.00 0.00 H new ATOM 1744 N TYR A 111 0.345 10.531 -9.786 1.00 0.00 N ATOM 1745 CA TYR A 111 1.679 10.180 -10.260 1.00 0.00 C ATOM 1746 C TYR A 111 1.729 10.186 -11.781 1.00 0.00 C ATOM 1747 O TYR A 111 2.760 10.488 -12.381 1.00 0.00 O ATOM 1748 CB TYR A 111 2.097 8.811 -9.722 1.00 0.00 C ATOM 1749 CG TYR A 111 2.500 8.832 -8.265 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.717 9.372 -7.870 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.664 8.312 -7.286 1.00 0.00 C ATOM 1752 CE1 TYR A 111 4.090 9.393 -6.540 1.00 0.00 C ATOM 1753 CE2 TYR A 111 2.029 8.330 -5.953 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.242 8.872 -5.586 1.00 0.00 C ATOM 1755 OH TYR A 111 3.609 8.892 -4.260 1.00 0.00 O ATOM 0 H TYR A 111 -0.180 9.753 -9.386 1.00 0.00 H new ATOM 0 HA TYR A 111 2.379 10.929 -9.889 1.00 0.00 H new ATOM 0 HB2 TYR A 111 1.272 8.111 -9.852 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.930 8.435 -10.316 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.383 9.782 -8.615 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.713 7.887 -7.571 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.041 9.815 -6.249 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.368 7.922 -5.203 1.00 0.00 H new ATOM 0 HH TYR A 111 2.954 9.409 -3.747 1.00 0.00 H new ATOM 1765 N LYS A 112 0.602 9.854 -12.395 1.00 0.00 N ATOM 1766 CA LYS A 112 0.500 9.821 -13.845 1.00 0.00 C ATOM 1767 C LYS A 112 0.456 11.234 -14.416 1.00 0.00 C ATOM 1768 O LYS A 112 1.050 11.513 -15.458 1.00 0.00 O ATOM 1769 CB LYS A 112 -0.747 9.045 -14.272 1.00 0.00 C ATOM 1770 CG LYS A 112 -0.668 7.557 -13.979 1.00 0.00 C ATOM 1771 CD LYS A 112 -1.883 6.817 -14.514 1.00 0.00 C ATOM 1772 CE LYS A 112 -2.818 6.395 -13.392 1.00 0.00 C ATOM 1773 NZ LYS A 112 -4.235 6.322 -13.847 1.00 0.00 N ATOM 0 H LYS A 112 -0.258 9.603 -11.907 1.00 0.00 H new ATOM 0 HA LYS A 112 1.383 9.317 -14.237 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.616 9.461 -13.762 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.905 9.188 -15.341 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.236 7.145 -14.427 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -0.591 7.401 -12.903 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.420 7.456 -15.215 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -1.559 5.937 -15.069 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -2.509 5.422 -13.009 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -2.738 7.103 -12.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -4.840 6.031 -13.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -4.538 7.256 -14.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -4.317 5.628 -14.617 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.253 12.123 -13.726 1.00 0.00 N ATOM 1788 CA ASP A 113 -0.375 13.509 -14.162 1.00 0.00 C ATOM 1789 C ASP A 113 0.994 14.173 -14.258 1.00 0.00 C ATOM 1790 O ASP A 113 1.243 14.978 -15.155 1.00 0.00 O ATOM 1791 CB ASP A 113 -1.269 14.292 -13.198 1.00 0.00 C ATOM 1792 CG ASP A 113 -1.585 15.685 -13.704 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -2.528 15.825 -14.510 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -0.888 16.637 -13.294 1.00 0.00 O ATOM 0 H ASP A 113 -0.752 11.907 -12.863 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.830 13.513 -15.153 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.199 13.745 -13.044 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.777 14.364 -12.228 1.00 0.00 H new ATOM 1799 N ALA A 114 1.877 13.833 -13.325 1.00 0.00 N ATOM 1800 CA ALA A 114 3.221 14.396 -13.303 1.00 0.00 C ATOM 1801 C ALA A 114 3.983 14.049 -14.578 1.00 0.00 C ATOM 1802 O ALA A 114 4.808 14.831 -15.051 1.00 0.00 O ATOM 1803 CB ALA A 114 3.981 13.902 -12.082 1.00 0.00 C ATOM 0 H ALA A 114 1.685 13.170 -12.574 1.00 0.00 H new ATOM 0 HA ALA A 114 3.132 15.481 -13.247 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.983 14.331 -12.079 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.454 14.206 -11.178 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.052 12.815 -12.113 1.00 0.00 H new ATOM 1809 N ASP A 115 3.698 12.875 -15.129 1.00 0.00 N ATOM 1810 CA ASP A 115 4.357 12.423 -16.351 1.00 0.00 C ATOM 1811 C ASP A 115 3.390 12.451 -17.530 1.00 0.00 C ATOM 1812 O ASP A 115 3.717 11.847 -18.574 1.00 0.00 O ATOM 1813 CB ASP A 115 4.912 11.011 -16.164 1.00 0.00 C ATOM 1814 CG ASP A 115 6.026 10.958 -15.137 1.00 0.00 C ATOM 1815 OD1 ASP A 115 6.580 12.027 -14.805 1.00 0.00 O ATOM 1816 OD2 ASP A 115 6.346 9.846 -14.665 1.00 0.00 O ATOM 1817 OXT ASP A 115 2.316 13.076 -17.402 1.00 0.00 O ATOM 0 H ASP A 115 3.016 12.218 -14.750 1.00 0.00 H new ATOM 0 HA ASP A 115 5.182 13.103 -16.564 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.106 10.345 -15.856 1.00 0.00 H new ATOM 0 HB3 ASP A 115 5.284 10.641 -17.119 1.00 0.00 H new TER 1822 ASP A 115