USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 942 hydrogens (6 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 NoAdj-H: A 126 HC4HO4' : A 126 HC4 O4' : A 126 HC4 C4' :(short bond) USER MOD Set 1.1: A 100 MET CE :methyl -122:sc= -2.7! (180deg=-4.48!) USER MOD Set 1.2: A 101 THR OG1 : rot 180:sc= -1.48 USER MOD Set 2.1: A 50 THR OG1 : rot 81:sc= -0.166 USER MOD Set 2.2: A 98 TYR OH : rot -70:sc= 0.778 USER MOD Set 3.1: A 87 ASN : amide:sc= -0.239 K(o=-2.2,f=-6) USER MOD Set 3.2: A 89 ASN : amide:sc= -1.92 K(o=-2.2,f=-6!) USER MOD Set 4.1: A 72 SER OG : rot 158:sc= 1.2 USER MOD Set 4.2: A 94 TYR OH : rot -178:sc= 2.03 USER MOD Set 5.1: A 61 ASN : amide:sc= -1.18 K(o=-0.94,f=-6.6!) USER MOD Set 5.2: A 64 LYS NZ :NH3+ 146:sc= 0.24 (180deg=0) USER MOD Set 6.1: A 14 THR OG1 : rot -74:sc= 0.928 USER MOD Set 6.2: A 22 GLN : amide:sc= 0.571 K(o=1.5,f=0.038) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.0013) USER MOD Single : A 8 SER OG : rot 101:sc= -5.87! USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -149:sc= -5.28! (180deg=-7.81!) USER MOD Single : A 32 GLN : amide:sc= -0.794 K(o=-0.79,f=-4.3!) USER MOD Single : A 38 ASN : amide:sc= -2.97 K(o=-3,f=-15!) USER MOD Single : A 41 GLN : amide:sc= -13.7! C(o=-14!,f=-15!) USER MOD Single : A 42 TYR OH : rot 0:sc= -2.32! USER MOD Single : A 43 ASN : amide:sc= -7.31! C(o=-7.3!,f=-17!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 145:sc= -0.883 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 106:sc= 1.1 USER MOD Single : A 90 THR OG1 : rot -140:sc= 0 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 120:sc= -0.734 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -119:sc= 0.131 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 173:sc= -0.855 (180deg=-1.13) USER MOD Single : A 108 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-2.9) USER MOD Single : A 109 MET CE :methyl -118:sc= -1.54 (180deg=-3.02!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 74:sc= -0.167 USER MOD Single : A 117 SER OG : rot -47:sc= -1.66! USER MOD Single : A 118 TYR OH : rot 16:sc= -4.12! USER MOD Single : A 123 LYS NZ :NH3+ -153:sc= -0.147 (180deg=-0.854) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.269 9.317 8.448 1.00 0.00 N ATOM 2 CA MET A 1 16.933 9.440 9.097 1.00 0.00 C ATOM 3 C MET A 1 15.884 9.787 8.039 1.00 0.00 C ATOM 4 O MET A 1 15.177 10.769 8.149 1.00 0.00 O ATOM 5 CB MET A 1 16.978 10.545 10.155 1.00 0.00 C ATOM 6 CG MET A 1 17.435 9.954 11.491 1.00 0.00 C ATOM 7 SD MET A 1 17.964 11.288 12.594 1.00 0.00 S ATOM 8 CE MET A 1 16.575 11.196 13.748 1.00 0.00 C ATOM 0 H1 MET A 1 18.983 9.081 9.166 1.00 0.00 H new ATOM 0 H2 MET A 1 18.238 8.565 7.730 1.00 0.00 H new ATOM 0 H3 MET A 1 18.519 10.219 7.994 1.00 0.00 H new ATOM 0 HA MET A 1 16.671 8.495 9.572 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.661 11.335 9.842 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.993 10.999 10.264 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.622 9.391 11.949 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.255 9.255 11.330 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.699 11.948 14.528 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.644 11.380 13.212 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.543 10.205 14.201 1.00 0.00 H new ATOM 20 N GLU A 2 15.781 8.991 7.010 1.00 0.00 N ATOM 21 CA GLU A 2 14.781 9.274 5.942 1.00 0.00 C ATOM 22 C GLU A 2 13.373 8.969 6.460 1.00 0.00 C ATOM 23 O GLU A 2 12.427 9.671 6.162 1.00 0.00 O ATOM 24 CB GLU A 2 15.080 8.398 4.723 1.00 0.00 C ATOM 25 CG GLU A 2 16.368 8.880 4.055 1.00 0.00 C ATOM 26 CD GLU A 2 16.055 9.394 2.649 1.00 0.00 C ATOM 27 OE1 GLU A 2 15.194 10.251 2.532 1.00 0.00 O ATOM 28 OE2 GLU A 2 16.680 8.923 1.713 1.00 0.00 O ATOM 0 H GLU A 2 16.347 8.156 6.863 1.00 0.00 H new ATOM 0 HA GLU A 2 14.839 10.325 5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.183 7.356 5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.251 8.444 4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.824 9.672 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 2 17.090 8.065 4.003 1.00 0.00 H new ATOM 35 N HIS A 3 13.224 7.925 7.230 1.00 0.00 N ATOM 36 CA HIS A 3 11.874 7.581 7.761 1.00 0.00 C ATOM 37 C HIS A 3 10.939 7.249 6.596 1.00 0.00 C ATOM 38 O HIS A 3 10.602 8.100 5.797 1.00 0.00 O ATOM 39 CB HIS A 3 11.314 8.774 8.540 1.00 0.00 C ATOM 40 CG HIS A 3 10.232 8.304 9.473 1.00 0.00 C ATOM 41 ND1 HIS A 3 9.668 9.135 10.428 1.00 0.00 N ATOM 42 CD2 HIS A 3 9.598 7.093 9.609 1.00 0.00 C ATOM 43 CE1 HIS A 3 8.740 8.421 11.090 1.00 0.00 C ATOM 44 NE2 HIS A 3 8.657 7.169 10.631 1.00 0.00 N ATOM 0 H HIS A 3 13.976 7.297 7.514 1.00 0.00 H new ATOM 0 HA HIS A 3 11.952 6.718 8.423 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.110 9.258 9.105 1.00 0.00 H new ATOM 0 HB3 HIS A 3 10.915 9.517 7.850 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.799 6.215 9.013 1.00 0.00 H new ATOM 0 HE1 HIS A 3 8.135 8.812 11.895 1.00 0.00 H new ATOM 0 HE2 HIS A 3 8.037 6.428 10.959 1.00 0.00 H new ATOM 52 N VAL A 4 10.517 6.017 6.493 1.00 0.00 N ATOM 53 CA VAL A 4 9.603 5.632 5.380 1.00 0.00 C ATOM 54 C VAL A 4 8.897 4.323 5.732 1.00 0.00 C ATOM 55 O VAL A 4 9.460 3.470 6.375 1.00 0.00 O ATOM 56 CB VAL A 4 10.411 5.440 4.089 1.00 0.00 C ATOM 57 CG1 VAL A 4 11.475 4.358 4.298 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.474 5.007 2.957 1.00 0.00 C ATOM 0 H VAL A 4 10.766 5.261 7.131 1.00 0.00 H new ATOM 0 HA VAL A 4 8.865 6.420 5.232 1.00 0.00 H new ATOM 0 HB VAL A 4 10.894 6.382 3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.045 4.226 3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.147 4.659 5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.991 3.418 4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.049 4.871 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.990 4.068 3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.716 5.774 2.799 1.00 0.00 H new ATOM 68 N ALA A 5 7.672 4.167 5.296 1.00 0.00 N ATOM 69 CA ALA A 5 6.896 2.915 5.569 1.00 0.00 C ATOM 70 C ALA A 5 7.011 2.487 7.045 1.00 0.00 C ATOM 71 O ALA A 5 6.157 2.784 7.857 1.00 0.00 O ATOM 72 CB ALA A 5 7.408 1.786 4.652 1.00 0.00 C ATOM 0 H ALA A 5 7.167 4.867 4.752 1.00 0.00 H new ATOM 0 HA ALA A 5 5.844 3.113 5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.845 0.874 4.849 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.276 2.076 3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.465 1.609 4.848 1.00 0.00 H new ATOM 78 N PHE A 6 8.038 1.759 7.386 1.00 0.00 N ATOM 79 CA PHE A 6 8.213 1.263 8.785 1.00 0.00 C ATOM 80 C PHE A 6 9.665 0.803 8.896 1.00 0.00 C ATOM 81 O PHE A 6 10.377 1.125 9.826 1.00 0.00 O ATOM 82 CB PHE A 6 7.270 0.072 9.070 1.00 0.00 C ATOM 83 CG PHE A 6 6.292 -0.134 7.927 1.00 0.00 C ATOM 84 CD1 PHE A 6 6.762 -0.541 6.675 1.00 0.00 C ATOM 85 CD2 PHE A 6 4.929 0.096 8.112 1.00 0.00 C ATOM 86 CE1 PHE A 6 5.881 -0.726 5.618 1.00 0.00 C ATOM 87 CE2 PHE A 6 4.048 -0.088 7.045 1.00 0.00 C ATOM 88 CZ PHE A 6 4.527 -0.501 5.801 1.00 0.00 C ATOM 0 H PHE A 6 8.779 1.480 6.743 1.00 0.00 H new ATOM 0 HA PHE A 6 7.976 2.047 9.504 1.00 0.00 H new ATOM 0 HB2 PHE A 6 7.857 -0.834 9.218 1.00 0.00 H new ATOM 0 HB3 PHE A 6 6.721 0.251 9.995 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.818 -0.713 6.529 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.557 0.414 9.075 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.251 -1.045 4.655 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.992 0.090 7.183 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.841 -0.645 4.980 1.00 0.00 H new ATOM 98 N GLY A 7 10.097 0.070 7.909 1.00 0.00 N ATOM 99 CA GLY A 7 11.497 -0.420 7.855 1.00 0.00 C ATOM 100 C GLY A 7 11.879 -0.585 6.378 1.00 0.00 C ATOM 101 O GLY A 7 12.751 -1.357 6.031 1.00 0.00 O ATOM 0 H GLY A 7 9.520 -0.216 7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.168 0.285 8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.590 -1.370 8.382 1.00 0.00 H new ATOM 105 N SER A 8 11.217 0.138 5.502 1.00 0.00 N ATOM 106 CA SER A 8 11.520 0.029 4.045 1.00 0.00 C ATOM 107 C SER A 8 12.806 0.790 3.730 1.00 0.00 C ATOM 108 O SER A 8 13.061 1.849 4.266 1.00 0.00 O ATOM 109 CB SER A 8 10.372 0.639 3.230 1.00 0.00 C ATOM 110 OG SER A 8 10.242 2.013 3.569 1.00 0.00 O ATOM 0 H SER A 8 10.478 0.800 5.739 1.00 0.00 H new ATOM 0 HA SER A 8 11.639 -1.023 3.786 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.569 0.532 2.163 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.441 0.111 3.437 1.00 0.00 H new ATOM 0 HG SER A 8 10.663 2.562 2.875 1.00 0.00 H new ATOM 116 N GLU A 9 13.607 0.268 2.844 1.00 0.00 N ATOM 117 CA GLU A 9 14.867 0.966 2.464 1.00 0.00 C ATOM 118 C GLU A 9 14.525 2.398 2.052 1.00 0.00 C ATOM 119 O GLU A 9 15.270 3.333 2.276 1.00 0.00 O ATOM 120 CB GLU A 9 15.483 0.236 1.271 1.00 0.00 C ATOM 121 CG GLU A 9 16.928 -0.153 1.591 1.00 0.00 C ATOM 122 CD GLU A 9 16.950 -1.085 2.802 1.00 0.00 C ATOM 123 OE1 GLU A 9 16.466 -2.197 2.677 1.00 0.00 O ATOM 124 OE2 GLU A 9 17.449 -0.670 3.835 1.00 0.00 O ATOM 0 H GLU A 9 13.442 -0.617 2.364 1.00 0.00 H new ATOM 0 HA GLU A 9 15.567 0.976 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.900 -0.655 1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.456 0.875 0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.382 -0.646 0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.519 0.740 1.795 1.00 0.00 H new ATOM 131 N ASP A 10 13.388 2.540 1.437 1.00 0.00 N ATOM 132 CA ASP A 10 12.894 3.858 0.949 1.00 0.00 C ATOM 133 C ASP A 10 11.892 3.534 -0.147 1.00 0.00 C ATOM 134 O ASP A 10 12.267 3.276 -1.273 1.00 0.00 O ATOM 135 CB ASP A 10 14.041 4.694 0.363 1.00 0.00 C ATOM 136 CG ASP A 10 14.477 5.745 1.386 1.00 0.00 C ATOM 137 OD1 ASP A 10 13.623 6.484 1.847 1.00 0.00 O ATOM 138 OD2 ASP A 10 15.657 5.793 1.692 1.00 0.00 O ATOM 0 H ASP A 10 12.754 1.765 1.244 1.00 0.00 H new ATOM 0 HA ASP A 10 12.455 4.438 1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.882 4.049 0.107 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.719 5.179 -0.558 1.00 0.00 H new ATOM 143 N ILE A 11 10.626 3.487 0.167 1.00 0.00 N ATOM 144 CA ILE A 11 9.649 3.116 -0.873 1.00 0.00 C ATOM 145 C ILE A 11 9.431 4.271 -1.837 1.00 0.00 C ATOM 146 O ILE A 11 9.785 4.181 -2.980 1.00 0.00 O ATOM 147 CB ILE A 11 8.311 2.735 -0.277 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.457 2.125 1.155 1.00 0.00 C ATOM 149 CG2 ILE A 11 7.640 1.776 -1.265 1.00 0.00 C ATOM 150 CD1 ILE A 11 7.701 0.793 1.317 1.00 0.00 C ATOM 0 H ILE A 11 10.238 3.688 1.089 1.00 0.00 H new ATOM 0 HA ILE A 11 10.062 2.256 -1.400 1.00 0.00 H new ATOM 0 HB ILE A 11 7.688 3.618 -0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.513 1.966 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.085 2.840 1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.668 1.473 -0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.507 2.276 -2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.267 0.895 -1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.839 0.417 2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.639 0.952 1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.089 0.065 0.605 1.00 0.00 H new ATOM 162 N GLU A 12 8.817 5.339 -1.388 1.00 0.00 N ATOM 163 CA GLU A 12 8.525 6.500 -2.294 1.00 0.00 C ATOM 164 C GLU A 12 9.676 6.750 -3.287 1.00 0.00 C ATOM 165 O GLU A 12 9.454 7.145 -4.415 1.00 0.00 O ATOM 166 CB GLU A 12 8.305 7.757 -1.448 1.00 0.00 C ATOM 167 CG GLU A 12 7.383 8.723 -2.197 1.00 0.00 C ATOM 168 CD GLU A 12 8.148 9.363 -3.356 1.00 0.00 C ATOM 169 OE1 GLU A 12 9.115 10.057 -3.091 1.00 0.00 O ATOM 170 OE2 GLU A 12 7.753 9.147 -4.491 1.00 0.00 O ATOM 0 H GLU A 12 8.502 5.459 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 12 7.629 6.264 -2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.865 7.489 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.260 8.238 -1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.510 8.191 -2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.018 9.494 -1.518 1.00 0.00 H new ATOM 177 N ASN A 13 10.897 6.509 -2.888 1.00 0.00 N ATOM 178 CA ASN A 13 12.045 6.720 -3.822 1.00 0.00 C ATOM 179 C ASN A 13 12.178 5.487 -4.718 1.00 0.00 C ATOM 180 O ASN A 13 12.355 5.583 -5.916 1.00 0.00 O ATOM 181 CB ASN A 13 13.335 6.906 -3.018 1.00 0.00 C ATOM 182 CG ASN A 13 13.815 8.354 -3.141 1.00 0.00 C ATOM 183 OD1 ASN A 13 13.146 9.268 -2.701 1.00 0.00 O ATOM 184 ND2 ASN A 13 14.956 8.602 -3.724 1.00 0.00 N ATOM 0 H ASN A 13 11.150 6.176 -1.958 1.00 0.00 H new ATOM 0 HA ASN A 13 11.871 7.608 -4.429 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.161 6.658 -1.971 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.104 6.225 -3.383 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.286 9.563 -3.810 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.517 7.835 -4.093 1.00 0.00 H new ATOM 191 N THR A 14 12.080 4.328 -4.130 1.00 0.00 N ATOM 192 CA THR A 14 12.178 3.060 -4.907 1.00 0.00 C ATOM 193 C THR A 14 10.933 2.902 -5.796 1.00 0.00 C ATOM 194 O THR A 14 10.860 2.015 -6.619 1.00 0.00 O ATOM 195 CB THR A 14 12.263 1.894 -3.903 1.00 0.00 C ATOM 196 OG1 THR A 14 13.586 1.818 -3.391 1.00 0.00 O ATOM 197 CG2 THR A 14 11.904 0.560 -4.572 1.00 0.00 C ATOM 0 H THR A 14 11.934 4.203 -3.128 1.00 0.00 H new ATOM 0 HA THR A 14 13.060 3.069 -5.547 1.00 0.00 H new ATOM 0 HB THR A 14 11.552 2.078 -3.098 1.00 0.00 H new ATOM 0 HG1 THR A 14 14.180 1.442 -4.074 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.973 -0.244 -3.840 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.887 0.610 -4.962 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.597 0.365 -5.391 1.00 0.00 H new ATOM 205 N LEU A 15 9.953 3.738 -5.630 1.00 0.00 N ATOM 206 CA LEU A 15 8.728 3.621 -6.453 1.00 0.00 C ATOM 207 C LEU A 15 8.806 4.609 -7.621 1.00 0.00 C ATOM 208 O LEU A 15 8.145 4.452 -8.627 1.00 0.00 O ATOM 209 CB LEU A 15 7.515 3.936 -5.570 1.00 0.00 C ATOM 210 CG LEU A 15 7.474 2.977 -4.385 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.540 3.530 -3.305 1.00 0.00 C ATOM 212 CD2 LEU A 15 6.965 1.611 -4.847 1.00 0.00 C ATOM 0 H LEU A 15 9.949 4.502 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 15 8.633 2.612 -6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.570 4.965 -5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.598 3.848 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 15 8.478 2.871 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.513 2.842 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.905 4.501 -2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.536 3.641 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.937 0.927 -3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.962 1.717 -5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.633 1.213 -5.611 1.00 0.00 H new ATOM 224 N ALA A 16 9.607 5.634 -7.485 1.00 0.00 N ATOM 225 CA ALA A 16 9.729 6.643 -8.574 1.00 0.00 C ATOM 226 C ALA A 16 10.924 6.303 -9.471 1.00 0.00 C ATOM 227 O ALA A 16 11.002 6.736 -10.604 1.00 0.00 O ATOM 228 CB ALA A 16 9.942 8.026 -7.954 1.00 0.00 C ATOM 0 H ALA A 16 10.183 5.814 -6.663 1.00 0.00 H new ATOM 0 HA ALA A 16 8.818 6.638 -9.173 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.032 8.770 -8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.092 8.274 -7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.853 8.020 -7.356 1.00 0.00 H new ATOM 234 N LYS A 17 11.858 5.539 -8.974 1.00 0.00 N ATOM 235 CA LYS A 17 13.044 5.185 -9.805 1.00 0.00 C ATOM 236 C LYS A 17 13.360 3.695 -9.651 1.00 0.00 C ATOM 237 O LYS A 17 14.320 3.317 -9.010 1.00 0.00 O ATOM 238 CB LYS A 17 14.249 6.012 -9.346 1.00 0.00 C ATOM 239 CG LYS A 17 15.122 6.354 -10.555 1.00 0.00 C ATOM 240 CD LYS A 17 16.488 6.852 -10.075 1.00 0.00 C ATOM 241 CE LYS A 17 17.495 6.769 -11.224 1.00 0.00 C ATOM 242 NZ LYS A 17 18.211 8.070 -11.356 1.00 0.00 N ATOM 0 H LYS A 17 11.852 5.146 -8.033 1.00 0.00 H new ATOM 0 HA LYS A 17 12.828 5.399 -10.852 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.912 6.926 -8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.829 5.453 -8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 17 15.245 5.475 -11.188 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.637 7.119 -11.162 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.408 7.880 -9.721 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.831 6.251 -9.233 1.00 0.00 H new ATOM 0 HE2 LYS A 17 18.209 5.967 -11.038 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.981 6.529 -12.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 18.895 8.012 -12.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.524 8.826 -11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 18.714 8.281 -10.470 1.00 0.00 H new ATOM 256 N MET A 18 12.558 2.847 -10.234 1.00 0.00 N ATOM 257 CA MET A 18 12.807 1.386 -10.124 1.00 0.00 C ATOM 258 C MET A 18 12.541 0.723 -11.480 1.00 0.00 C ATOM 259 O MET A 18 11.434 0.733 -11.982 1.00 0.00 O ATOM 260 CB MET A 18 11.872 0.811 -9.059 1.00 0.00 C ATOM 261 CG MET A 18 11.980 -0.709 -9.026 1.00 0.00 C ATOM 262 SD MET A 18 10.637 -1.433 -10.000 1.00 0.00 S ATOM 263 CE MET A 18 9.274 -0.893 -8.938 1.00 0.00 C ATOM 0 H MET A 18 11.739 3.106 -10.783 1.00 0.00 H new ATOM 0 HA MET A 18 13.842 1.196 -9.839 1.00 0.00 H new ATOM 0 HB2 MET A 18 12.126 1.222 -8.082 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.844 1.105 -9.271 1.00 0.00 H new ATOM 0 HG2 MET A 18 12.944 -1.024 -9.426 1.00 0.00 H new ATOM 0 HG3 MET A 18 11.930 -1.065 -7.997 1.00 0.00 H new ATOM 0 HE1 MET A 18 8.464 -1.620 -8.988 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.625 -0.811 -7.909 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.911 0.078 -9.277 1.00 0.00 H new ATOM 273 N ASP A 19 13.552 0.152 -12.079 1.00 0.00 N ATOM 274 CA ASP A 19 13.363 -0.507 -13.402 1.00 0.00 C ATOM 275 C ASP A 19 12.393 -1.682 -13.259 1.00 0.00 C ATOM 276 O ASP A 19 11.249 -1.606 -13.663 1.00 0.00 O ATOM 277 CB ASP A 19 14.713 -1.015 -13.919 1.00 0.00 C ATOM 278 CG ASP A 19 14.531 -1.620 -15.312 1.00 0.00 C ATOM 279 OD1 ASP A 19 14.481 -0.860 -16.265 1.00 0.00 O ATOM 280 OD2 ASP A 19 14.446 -2.834 -15.402 1.00 0.00 O ATOM 0 H ASP A 19 14.501 0.114 -11.708 1.00 0.00 H new ATOM 0 HA ASP A 19 12.952 0.214 -14.109 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.431 -0.196 -13.958 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.118 -1.762 -13.236 1.00 0.00 H new ATOM 285 N ASP A 20 12.836 -2.771 -12.689 1.00 0.00 N ATOM 286 CA ASP A 20 11.933 -3.944 -12.528 1.00 0.00 C ATOM 287 C ASP A 20 12.655 -5.045 -11.745 1.00 0.00 C ATOM 288 O ASP A 20 12.819 -6.154 -12.215 1.00 0.00 O ATOM 289 CB ASP A 20 11.537 -4.469 -13.911 1.00 0.00 C ATOM 290 CG ASP A 20 10.022 -4.666 -13.968 1.00 0.00 C ATOM 291 OD1 ASP A 20 9.310 -3.685 -13.827 1.00 0.00 O ATOM 292 OD2 ASP A 20 9.598 -5.795 -14.153 1.00 0.00 O ATOM 0 H ASP A 20 13.782 -2.897 -12.329 1.00 0.00 H new ATOM 0 HA ASP A 20 11.038 -3.645 -11.982 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.852 -3.766 -14.682 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.045 -5.412 -14.113 1.00 0.00 H new ATOM 297 N GLY A 21 13.084 -4.745 -10.552 1.00 0.00 N ATOM 298 CA GLY A 21 13.792 -5.768 -9.732 1.00 0.00 C ATOM 299 C GLY A 21 14.334 -5.110 -8.462 1.00 0.00 C ATOM 300 O GLY A 21 15.418 -5.415 -8.004 1.00 0.00 O ATOM 0 H GLY A 21 12.975 -3.833 -10.108 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.111 -6.579 -9.473 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.609 -6.208 -10.304 1.00 0.00 H new ATOM 304 N GLN A 22 13.590 -4.201 -7.897 1.00 0.00 N ATOM 305 CA GLN A 22 14.064 -3.512 -6.664 1.00 0.00 C ATOM 306 C GLN A 22 12.958 -3.490 -5.603 1.00 0.00 C ATOM 307 O GLN A 22 13.230 -3.437 -4.419 1.00 0.00 O ATOM 308 CB GLN A 22 14.455 -2.075 -7.011 1.00 0.00 C ATOM 309 CG GLN A 22 15.352 -1.511 -5.910 1.00 0.00 C ATOM 310 CD GLN A 22 15.541 -0.009 -6.125 1.00 0.00 C ATOM 311 OE1 GLN A 22 15.517 0.759 -5.184 1.00 0.00 O ATOM 312 NE2 GLN A 22 15.730 0.445 -7.334 1.00 0.00 N ATOM 0 H GLN A 22 12.674 -3.905 -8.235 1.00 0.00 H new ATOM 0 HA GLN A 22 14.924 -4.051 -6.267 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.976 -2.050 -7.968 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.562 -1.460 -7.118 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.906 -1.696 -4.933 1.00 0.00 H new ATOM 0 HG3 GLN A 22 16.318 -2.015 -5.920 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.750 -0.200 -8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.858 1.445 -7.489 1.00 0.00 H new ATOM 321 N LEU A 23 11.713 -3.514 -6.002 1.00 0.00 N ATOM 322 CA LEU A 23 10.616 -3.477 -4.994 1.00 0.00 C ATOM 323 C LEU A 23 10.006 -4.882 -4.819 1.00 0.00 C ATOM 324 O LEU A 23 9.269 -5.131 -3.886 1.00 0.00 O ATOM 325 CB LEU A 23 9.562 -2.434 -5.444 1.00 0.00 C ATOM 326 CG LEU A 23 8.314 -3.091 -6.059 1.00 0.00 C ATOM 327 CD1 LEU A 23 7.299 -2.008 -6.433 1.00 0.00 C ATOM 328 CD2 LEU A 23 8.706 -3.874 -7.315 1.00 0.00 C ATOM 0 H LEU A 23 11.411 -3.557 -6.975 1.00 0.00 H new ATOM 0 HA LEU A 23 11.004 -3.177 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.266 -1.828 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.011 -1.759 -6.173 1.00 0.00 H new ATOM 0 HG LEU A 23 7.872 -3.772 -5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.415 -2.473 -6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.014 -1.452 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.745 -1.326 -7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.819 -4.337 -7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.151 -3.195 -8.043 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.427 -4.647 -7.051 1.00 0.00 H new ATOM 340 N ASP A 24 10.301 -5.796 -5.705 1.00 0.00 N ATOM 341 CA ASP A 24 9.729 -7.168 -5.575 1.00 0.00 C ATOM 342 C ASP A 24 10.340 -7.879 -4.361 1.00 0.00 C ATOM 343 O ASP A 24 9.811 -8.859 -3.875 1.00 0.00 O ATOM 344 CB ASP A 24 10.038 -7.972 -6.841 1.00 0.00 C ATOM 345 CG ASP A 24 11.533 -7.883 -7.155 1.00 0.00 C ATOM 346 OD1 ASP A 24 12.288 -7.555 -6.254 1.00 0.00 O ATOM 347 OD2 ASP A 24 11.898 -8.143 -8.289 1.00 0.00 O ATOM 0 H ASP A 24 10.911 -5.653 -6.510 1.00 0.00 H new ATOM 0 HA ASP A 24 8.650 -7.092 -5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.747 -9.013 -6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.457 -7.587 -7.679 1.00 0.00 H new ATOM 352 N GLY A 25 11.446 -7.393 -3.863 1.00 0.00 N ATOM 353 CA GLY A 25 12.083 -8.040 -2.680 1.00 0.00 C ATOM 354 C GLY A 25 11.739 -7.237 -1.428 1.00 0.00 C ATOM 355 O GLY A 25 12.538 -7.095 -0.523 1.00 0.00 O ATOM 0 H GLY A 25 11.936 -6.575 -4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.731 -9.066 -2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.164 -8.086 -2.813 1.00 0.00 H new ATOM 359 N LEU A 26 10.552 -6.704 -1.376 1.00 0.00 N ATOM 360 CA LEU A 26 10.142 -5.900 -0.202 1.00 0.00 C ATOM 361 C LEU A 26 9.286 -6.750 0.735 1.00 0.00 C ATOM 362 O LEU A 26 8.260 -7.280 0.354 1.00 0.00 O ATOM 363 CB LEU A 26 9.313 -4.697 -0.668 1.00 0.00 C ATOM 364 CG LEU A 26 10.189 -3.724 -1.459 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.301 -2.699 -2.172 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.133 -2.990 -0.504 1.00 0.00 C ATOM 0 H LEU A 26 9.844 -6.794 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 26 11.035 -5.559 0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.483 -5.037 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.880 -4.189 0.194 1.00 0.00 H new ATOM 0 HG LEU A 26 10.771 -4.281 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.926 -2.006 -2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.625 -3.215 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.720 -2.146 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.756 -2.297 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.549 -2.436 0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.767 -3.714 0.008 1.00 0.00 H new ATOM 378 N ALA A 27 9.682 -6.844 1.971 1.00 0.00 N ATOM 379 CA ALA A 27 8.880 -7.616 2.970 1.00 0.00 C ATOM 380 C ALA A 27 7.485 -6.973 3.095 1.00 0.00 C ATOM 381 O ALA A 27 6.563 -7.538 3.668 1.00 0.00 O ATOM 382 CB ALA A 27 9.582 -7.579 4.328 1.00 0.00 C ATOM 0 H ALA A 27 10.532 -6.418 2.339 1.00 0.00 H new ATOM 0 HA ALA A 27 8.783 -8.652 2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.997 -8.142 5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.573 -8.024 4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.677 -6.545 4.660 1.00 0.00 H new ATOM 388 N PHE A 28 7.327 -5.788 2.563 1.00 0.00 N ATOM 389 CA PHE A 28 6.016 -5.102 2.628 1.00 0.00 C ATOM 390 C PHE A 28 5.458 -4.983 1.213 1.00 0.00 C ATOM 391 O PHE A 28 6.003 -5.521 0.269 1.00 0.00 O ATOM 392 CB PHE A 28 6.183 -3.693 3.226 1.00 0.00 C ATOM 393 CG PHE A 28 7.508 -3.092 2.787 1.00 0.00 C ATOM 394 CD1 PHE A 28 7.615 -2.430 1.557 1.00 0.00 C ATOM 395 CD2 PHE A 28 8.630 -3.198 3.616 1.00 0.00 C ATOM 396 CE1 PHE A 28 8.844 -1.878 1.164 1.00 0.00 C ATOM 397 CE2 PHE A 28 9.855 -2.642 3.224 1.00 0.00 C ATOM 398 CZ PHE A 28 9.962 -1.983 1.996 1.00 0.00 C ATOM 0 H PHE A 28 8.061 -5.267 2.083 1.00 0.00 H new ATOM 0 HA PHE A 28 5.337 -5.675 3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.361 -3.054 2.905 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.141 -3.744 4.314 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.753 -2.345 0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.552 -3.711 4.563 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.926 -1.370 0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.716 -2.723 3.871 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.906 -1.556 1.691 1.00 0.00 H new ATOM 408 N GLY A 29 4.384 -4.274 1.058 1.00 0.00 N ATOM 409 CA GLY A 29 3.790 -4.100 -0.288 1.00 0.00 C ATOM 410 C GLY A 29 3.708 -2.610 -0.580 1.00 0.00 C ATOM 411 O GLY A 29 3.318 -1.840 0.268 1.00 0.00 O ATOM 0 H GLY A 29 3.887 -3.803 1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.398 -4.602 -1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.798 -4.551 -0.327 1.00 0.00 H new ATOM 415 N ALA A 30 4.064 -2.183 -1.759 1.00 0.00 N ATOM 416 CA ALA A 30 3.984 -0.728 -2.051 1.00 0.00 C ATOM 417 C ALA A 30 2.920 -0.512 -3.116 1.00 0.00 C ATOM 418 O ALA A 30 3.075 -0.915 -4.251 1.00 0.00 O ATOM 419 CB ALA A 30 5.343 -0.211 -2.540 1.00 0.00 C ATOM 0 H ALA A 30 4.402 -2.770 -2.522 1.00 0.00 H new ATOM 0 HA ALA A 30 3.720 -0.179 -1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.272 0.856 -2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.095 -0.379 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.629 -0.742 -3.448 1.00 0.00 H new ATOM 425 N ILE A 31 1.824 0.100 -2.758 1.00 0.00 N ATOM 426 CA ILE A 31 0.749 0.315 -3.761 1.00 0.00 C ATOM 427 C ILE A 31 0.475 1.812 -3.902 1.00 0.00 C ATOM 428 O ILE A 31 0.464 2.543 -2.937 1.00 0.00 O ATOM 429 CB ILE A 31 -0.532 -0.453 -3.345 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.384 0.339 -2.354 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.145 -1.763 -2.671 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.281 1.322 -3.109 1.00 0.00 C ATOM 0 H ILE A 31 1.630 0.457 -1.822 1.00 0.00 H new ATOM 0 HA ILE A 31 1.070 -0.071 -4.729 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.109 -0.623 -4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.994 -0.342 -1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.741 0.879 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.046 -2.302 -2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.433 -2.372 -3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.455 -1.553 -1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.886 1.883 -2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.662 2.012 -3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.935 0.772 -3.786 1.00 0.00 H new ATOM 444 N GLN A 32 0.250 2.268 -5.097 1.00 0.00 N ATOM 445 CA GLN A 32 -0.035 3.713 -5.297 1.00 0.00 C ATOM 446 C GLN A 32 -1.517 3.865 -5.622 1.00 0.00 C ATOM 447 O GLN A 32 -2.208 2.891 -5.840 1.00 0.00 O ATOM 448 CB GLN A 32 0.811 4.252 -6.452 1.00 0.00 C ATOM 449 CG GLN A 32 2.022 5.003 -5.889 1.00 0.00 C ATOM 450 CD GLN A 32 3.130 5.056 -6.943 1.00 0.00 C ATOM 451 OE1 GLN A 32 3.058 4.384 -7.952 1.00 0.00 O ATOM 452 NE2 GLN A 32 4.159 5.836 -6.749 1.00 0.00 N ATOM 0 H GLN A 32 0.251 1.703 -5.946 1.00 0.00 H new ATOM 0 HA GLN A 32 0.211 4.275 -4.396 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.142 3.431 -7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.214 4.918 -7.075 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.733 6.013 -5.599 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.385 4.505 -4.990 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.219 6.400 -5.901 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.903 5.881 -7.445 1.00 0.00 H new ATOM 461 N LEU A 33 -2.022 5.066 -5.651 1.00 0.00 N ATOM 462 CA LEU A 33 -3.468 5.237 -5.959 1.00 0.00 C ATOM 463 C LEU A 33 -3.704 6.596 -6.623 1.00 0.00 C ATOM 464 O LEU A 33 -3.094 7.582 -6.264 1.00 0.00 O ATOM 465 CB LEU A 33 -4.279 5.179 -4.661 1.00 0.00 C ATOM 466 CG LEU A 33 -4.276 3.749 -4.116 1.00 0.00 C ATOM 467 CD1 LEU A 33 -4.991 3.713 -2.764 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.002 2.828 -5.098 1.00 0.00 C ATOM 0 H LEU A 33 -1.503 5.927 -5.477 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.781 4.439 -6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.854 5.860 -3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.302 5.506 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.247 3.412 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.988 2.694 -2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.476 4.369 -2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.020 4.051 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.000 1.809 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.030 3.167 -5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.493 2.850 -6.062 1.00 0.00 H new ATOM 480 N ASP A 34 -4.598 6.665 -7.572 1.00 0.00 N ATOM 481 CA ASP A 34 -4.877 7.976 -8.228 1.00 0.00 C ATOM 482 C ASP A 34 -6.313 8.401 -7.921 1.00 0.00 C ATOM 483 O ASP A 34 -7.218 7.592 -7.960 1.00 0.00 O ATOM 484 CB ASP A 34 -4.699 7.869 -9.741 1.00 0.00 C ATOM 485 CG ASP A 34 -3.478 8.686 -10.171 1.00 0.00 C ATOM 486 OD1 ASP A 34 -3.412 9.849 -9.811 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.632 8.136 -10.857 1.00 0.00 O ATOM 0 H ASP A 34 -5.144 5.877 -7.920 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.176 8.716 -7.842 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.572 6.826 -10.030 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.591 8.234 -10.249 1.00 0.00 H new ATOM 492 N GLY A 35 -6.477 9.675 -7.617 1.00 0.00 N ATOM 493 CA GLY A 35 -7.805 10.314 -7.273 1.00 0.00 C ATOM 494 C GLY A 35 -9.003 9.413 -7.560 1.00 0.00 C ATOM 495 O GLY A 35 -9.772 9.646 -8.473 1.00 0.00 O ATOM 0 H GLY A 35 -5.700 10.335 -7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.807 10.584 -6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.912 11.240 -7.839 1.00 0.00 H new ATOM 499 N ASP A 36 -9.159 8.393 -6.773 1.00 0.00 N ATOM 500 CA ASP A 36 -10.297 7.439 -6.947 1.00 0.00 C ATOM 501 C ASP A 36 -9.974 6.155 -6.188 1.00 0.00 C ATOM 502 O ASP A 36 -10.851 5.399 -5.818 1.00 0.00 O ATOM 503 CB ASP A 36 -10.492 7.096 -8.431 1.00 0.00 C ATOM 504 CG ASP A 36 -11.849 7.623 -8.905 1.00 0.00 C ATOM 505 OD1 ASP A 36 -12.841 6.960 -8.648 1.00 0.00 O ATOM 506 OD2 ASP A 36 -11.872 8.677 -9.517 1.00 0.00 O ATOM 0 H ASP A 36 -8.535 8.170 -5.997 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.209 7.899 -6.567 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.691 7.537 -9.025 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.439 6.017 -8.575 1.00 0.00 H new ATOM 511 N GLY A 37 -8.714 5.893 -5.976 1.00 0.00 N ATOM 512 CA GLY A 37 -8.316 4.657 -5.272 1.00 0.00 C ATOM 513 C GLY A 37 -7.877 3.631 -6.314 1.00 0.00 C ATOM 514 O GLY A 37 -7.811 2.449 -6.041 1.00 0.00 O ATOM 0 H GLY A 37 -7.941 6.492 -6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.503 4.862 -4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.149 4.270 -4.685 1.00 0.00 H new ATOM 518 N ASN A 38 -7.565 4.070 -7.512 1.00 0.00 N ATOM 519 CA ASN A 38 -7.127 3.089 -8.549 1.00 0.00 C ATOM 520 C ASN A 38 -5.629 2.837 -8.390 1.00 0.00 C ATOM 521 O ASN A 38 -4.842 3.752 -8.311 1.00 0.00 O ATOM 522 CB ASN A 38 -7.421 3.617 -9.954 1.00 0.00 C ATOM 523 CG ASN A 38 -6.586 4.868 -10.232 1.00 0.00 C ATOM 524 OD1 ASN A 38 -6.670 5.842 -9.515 1.00 0.00 O ATOM 525 ND2 ASN A 38 -5.777 4.880 -11.253 1.00 0.00 N ATOM 0 H ASN A 38 -7.594 5.045 -7.810 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.678 2.158 -8.416 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.196 2.849 -10.694 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.482 3.850 -10.049 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.215 5.708 -11.449 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.706 4.061 -11.857 1.00 0.00 H new ATOM 532 N ILE A 39 -5.238 1.600 -8.323 1.00 0.00 N ATOM 533 CA ILE A 39 -3.793 1.280 -8.132 1.00 0.00 C ATOM 534 C ILE A 39 -2.953 1.772 -9.316 1.00 0.00 C ATOM 535 O ILE A 39 -3.297 1.597 -10.468 1.00 0.00 O ATOM 536 CB ILE A 39 -3.639 -0.252 -7.925 1.00 0.00 C ATOM 537 CG1 ILE A 39 -3.383 -0.523 -6.447 1.00 0.00 C ATOM 538 CG2 ILE A 39 -2.473 -0.845 -8.736 1.00 0.00 C ATOM 539 CD1 ILE A 39 -4.686 -0.350 -5.674 1.00 0.00 C ATOM 0 H ILE A 39 -5.855 0.791 -8.392 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.423 1.799 -7.248 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.559 -0.723 -8.270 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.997 -1.533 -6.312 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.626 0.162 -6.065 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.412 -1.918 -8.554 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.641 -0.666 -9.798 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.540 -0.371 -8.431 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.510 -0.543 -4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.052 0.669 -5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.429 -1.052 -6.052 1.00 0.00 H new ATOM 551 N LEU A 40 -1.826 2.346 -9.008 1.00 0.00 N ATOM 552 CA LEU A 40 -0.892 2.822 -10.065 1.00 0.00 C ATOM 553 C LEU A 40 0.317 1.878 -10.068 1.00 0.00 C ATOM 554 O LEU A 40 0.963 1.673 -11.075 1.00 0.00 O ATOM 555 CB LEU A 40 -0.414 4.253 -9.760 1.00 0.00 C ATOM 556 CG LEU A 40 -1.474 5.020 -8.962 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.929 6.400 -8.593 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.734 5.178 -9.812 1.00 0.00 C ATOM 0 H LEU A 40 -1.507 2.508 -8.053 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.395 2.828 -11.032 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.518 4.218 -9.196 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.203 4.778 -10.692 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.717 4.470 -8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.681 6.948 -8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.029 6.286 -7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.688 6.951 -9.502 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.489 5.723 -9.246 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.493 5.730 -10.721 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.120 4.194 -10.077 1.00 0.00 H new ATOM 570 N GLN A 41 0.612 1.300 -8.930 1.00 0.00 N ATOM 571 CA GLN A 41 1.766 0.357 -8.820 1.00 0.00 C ATOM 572 C GLN A 41 1.482 -0.594 -7.635 1.00 0.00 C ATOM 573 O GLN A 41 0.639 -0.312 -6.809 1.00 0.00 O ATOM 574 CB GLN A 41 3.055 1.187 -8.619 1.00 0.00 C ATOM 575 CG GLN A 41 4.137 0.393 -7.873 1.00 0.00 C ATOM 576 CD GLN A 41 3.946 0.511 -6.353 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.805 0.100 -5.601 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.860 1.055 -5.856 1.00 0.00 N ATOM 0 H GLN A 41 0.095 1.444 -8.062 1.00 0.00 H new ATOM 0 HA GLN A 41 1.900 -0.246 -9.718 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.439 1.501 -9.589 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.820 2.093 -8.061 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.095 -0.655 -8.169 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.124 0.764 -8.150 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.132 1.403 -6.480 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.744 1.130 -4.845 1.00 0.00 H new ATOM 587 N TYR A 42 2.138 -1.728 -7.558 1.00 0.00 N ATOM 588 CA TYR A 42 1.840 -2.676 -6.437 1.00 0.00 C ATOM 589 C TYR A 42 3.099 -3.488 -6.045 1.00 0.00 C ATOM 590 O TYR A 42 3.684 -3.245 -5.004 1.00 0.00 O ATOM 591 CB TYR A 42 0.718 -3.613 -6.908 1.00 0.00 C ATOM 592 CG TYR A 42 0.172 -4.428 -5.759 1.00 0.00 C ATOM 593 CD1 TYR A 42 -0.582 -3.818 -4.749 1.00 0.00 C ATOM 594 CD2 TYR A 42 0.404 -5.802 -5.720 1.00 0.00 C ATOM 595 CE1 TYR A 42 -1.102 -4.587 -3.698 1.00 0.00 C ATOM 596 CE2 TYR A 42 -0.111 -6.568 -4.676 1.00 0.00 C ATOM 597 CZ TYR A 42 -0.864 -5.968 -3.666 1.00 0.00 C ATOM 598 OH TYR A 42 -1.367 -6.745 -2.643 1.00 0.00 O ATOM 0 H TYR A 42 2.857 -2.035 -8.213 1.00 0.00 H new ATOM 0 HA TYR A 42 1.529 -2.122 -5.551 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.085 -3.028 -7.356 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.098 -4.279 -7.683 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.763 -2.754 -4.780 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.984 -6.273 -6.500 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.683 -4.118 -2.918 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.074 -7.632 -4.648 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.869 -6.180 -2.019 1.00 0.00 H new ATOM 608 N ASN A 43 3.488 -4.443 -6.880 1.00 0.00 N ATOM 609 CA ASN A 43 4.693 -5.338 -6.645 1.00 0.00 C ATOM 610 C ASN A 43 4.220 -6.768 -6.315 1.00 0.00 C ATOM 611 O ASN A 43 3.038 -7.045 -6.281 1.00 0.00 O ATOM 612 CB ASN A 43 5.655 -4.799 -5.558 1.00 0.00 C ATOM 613 CG ASN A 43 5.201 -5.202 -4.150 1.00 0.00 C ATOM 614 OD1 ASN A 43 4.075 -5.600 -3.957 1.00 0.00 O ATOM 615 ND2 ASN A 43 6.042 -5.112 -3.156 1.00 0.00 N ATOM 0 H ASN A 43 2.998 -4.647 -7.751 1.00 0.00 H new ATOM 0 HA ASN A 43 5.273 -5.350 -7.568 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.660 -5.180 -5.740 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.709 -3.712 -5.626 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.750 -5.377 -2.215 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.991 -4.776 -3.320 1.00 0.00 H new ATOM 622 N ALA A 44 5.135 -7.685 -6.118 1.00 0.00 N ATOM 623 CA ALA A 44 4.733 -9.103 -5.846 1.00 0.00 C ATOM 624 C ALA A 44 4.718 -9.454 -4.346 1.00 0.00 C ATOM 625 O ALA A 44 4.027 -10.363 -3.942 1.00 0.00 O ATOM 626 CB ALA A 44 5.707 -10.037 -6.565 1.00 0.00 C ATOM 0 H ALA A 44 6.141 -7.515 -6.133 1.00 0.00 H new ATOM 0 HA ALA A 44 3.714 -9.225 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.425 -11.073 -6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.673 -9.843 -7.637 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.718 -9.862 -6.196 1.00 0.00 H new ATOM 632 N ALA A 45 5.481 -8.789 -3.519 1.00 0.00 N ATOM 633 CA ALA A 45 5.489 -9.157 -2.059 1.00 0.00 C ATOM 634 C ALA A 45 4.064 -9.202 -1.509 1.00 0.00 C ATOM 635 O ALA A 45 3.577 -10.226 -1.066 1.00 0.00 O ATOM 636 CB ALA A 45 6.283 -8.117 -1.263 1.00 0.00 C ATOM 0 H ALA A 45 6.094 -8.016 -3.779 1.00 0.00 H new ATOM 0 HA ALA A 45 5.950 -10.140 -1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.284 -8.390 -0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.309 -8.083 -1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.822 -7.137 -1.384 1.00 0.00 H new ATOM 642 N GLU A 46 3.413 -8.083 -1.511 1.00 0.00 N ATOM 643 CA GLU A 46 2.014 -8.012 -0.975 1.00 0.00 C ATOM 644 C GLU A 46 1.132 -8.993 -1.723 1.00 0.00 C ATOM 645 O GLU A 46 0.477 -9.825 -1.143 1.00 0.00 O ATOM 646 CB GLU A 46 1.412 -6.599 -1.130 1.00 0.00 C ATOM 647 CG GLU A 46 2.108 -5.804 -2.235 1.00 0.00 C ATOM 648 CD GLU A 46 1.516 -4.406 -2.334 1.00 0.00 C ATOM 649 OE1 GLU A 46 0.537 -4.140 -1.658 1.00 0.00 O ATOM 650 OE2 GLU A 46 2.155 -3.526 -3.175 1.00 0.00 O ATOM 0 H GLU A 46 3.784 -7.200 -1.862 1.00 0.00 H new ATOM 0 HA GLU A 46 2.057 -8.259 0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.348 -6.680 -1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.498 -6.061 -0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.176 -5.740 -2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.998 -6.321 -3.188 1.00 0.00 H new ATOM 658 N GLY A 47 1.110 -8.889 -3.009 1.00 0.00 N ATOM 659 CA GLY A 47 0.262 -9.809 -3.824 1.00 0.00 C ATOM 660 C GLY A 47 0.657 -11.268 -3.566 1.00 0.00 C ATOM 661 O GLY A 47 -0.061 -12.181 -3.918 1.00 0.00 O ATOM 0 H GLY A 47 1.643 -8.204 -3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.789 -9.661 -3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.376 -9.576 -4.883 1.00 0.00 H new ATOM 665 N ASP A 48 1.793 -11.502 -2.965 1.00 0.00 N ATOM 666 CA ASP A 48 2.212 -12.907 -2.704 1.00 0.00 C ATOM 667 C ASP A 48 1.461 -13.445 -1.486 1.00 0.00 C ATOM 668 O ASP A 48 1.129 -14.611 -1.414 1.00 0.00 O ATOM 669 CB ASP A 48 3.718 -12.951 -2.436 1.00 0.00 C ATOM 670 CG ASP A 48 4.418 -13.695 -3.575 1.00 0.00 C ATOM 671 OD1 ASP A 48 3.949 -14.761 -3.935 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.411 -13.185 -4.067 1.00 0.00 O ATOM 0 H ASP A 48 2.444 -10.785 -2.646 1.00 0.00 H new ATOM 0 HA ASP A 48 1.981 -13.522 -3.574 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.113 -11.938 -2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.915 -13.450 -1.487 1.00 0.00 H new ATOM 677 N ILE A 49 1.202 -12.607 -0.521 1.00 0.00 N ATOM 678 CA ILE A 49 0.488 -13.066 0.693 1.00 0.00 C ATOM 679 C ILE A 49 -1.035 -12.979 0.464 1.00 0.00 C ATOM 680 O ILE A 49 -1.768 -13.904 0.753 1.00 0.00 O ATOM 681 CB ILE A 49 0.957 -12.186 1.860 1.00 0.00 C ATOM 682 CG1 ILE A 49 2.011 -12.946 2.666 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.190 -11.784 2.789 1.00 0.00 C ATOM 684 CD1 ILE A 49 3.407 -12.549 2.184 1.00 0.00 C ATOM 0 H ILE A 49 1.457 -11.620 -0.525 1.00 0.00 H new ATOM 0 HA ILE A 49 0.710 -14.108 0.923 1.00 0.00 H new ATOM 0 HB ILE A 49 1.372 -11.271 1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.904 -12.722 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.867 -14.020 2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.197 -11.163 3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.936 -11.223 2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.650 -12.679 3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.158 -13.091 2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.511 -12.796 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.548 -11.477 2.322 1.00 0.00 H new ATOM 696 N THR A 50 -1.510 -11.872 -0.038 1.00 0.00 N ATOM 697 CA THR A 50 -2.983 -11.726 -0.268 1.00 0.00 C ATOM 698 C THR A 50 -3.352 -12.296 -1.646 1.00 0.00 C ATOM 699 O THR A 50 -4.433 -12.814 -1.840 1.00 0.00 O ATOM 700 CB THR A 50 -3.431 -10.236 -0.173 1.00 0.00 C ATOM 701 OG1 THR A 50 -3.750 -9.732 -1.467 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.335 -9.359 0.455 1.00 0.00 C ATOM 0 H THR A 50 -0.947 -11.063 -0.299 1.00 0.00 H new ATOM 0 HA THR A 50 -3.503 -12.283 0.511 1.00 0.00 H new ATOM 0 HB THR A 50 -4.314 -10.200 0.465 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.655 -10.015 -1.714 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.680 -8.326 0.506 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.113 -9.718 1.460 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.434 -9.410 -0.156 1.00 0.00 H new ATOM 710 N GLY A 51 -2.466 -12.207 -2.603 1.00 0.00 N ATOM 711 CA GLY A 51 -2.778 -12.743 -3.956 1.00 0.00 C ATOM 712 C GLY A 51 -3.188 -11.603 -4.904 1.00 0.00 C ATOM 713 O GLY A 51 -3.427 -11.822 -6.075 1.00 0.00 O ATOM 0 H GLY A 51 -1.542 -11.787 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.908 -13.263 -4.357 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.583 -13.475 -3.887 1.00 0.00 H new ATOM 717 N ARG A 52 -3.273 -10.394 -4.406 1.00 0.00 N ATOM 718 CA ARG A 52 -3.669 -9.232 -5.262 1.00 0.00 C ATOM 719 C ARG A 52 -3.004 -9.267 -6.642 1.00 0.00 C ATOM 720 O ARG A 52 -3.655 -9.069 -7.648 1.00 0.00 O ATOM 721 CB ARG A 52 -3.285 -7.926 -4.552 1.00 0.00 C ATOM 722 CG ARG A 52 -4.546 -7.249 -4.011 1.00 0.00 C ATOM 723 CD ARG A 52 -4.480 -5.745 -4.316 1.00 0.00 C ATOM 724 NE ARG A 52 -4.604 -4.936 -3.063 1.00 0.00 N ATOM 725 CZ ARG A 52 -4.051 -3.753 -3.005 1.00 0.00 C ATOM 726 NH1 ARG A 52 -3.914 -3.044 -4.094 1.00 0.00 N ATOM 727 NH2 ARG A 52 -3.634 -3.277 -1.865 1.00 0.00 N ATOM 0 H ARG A 52 -3.083 -10.160 -3.432 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.747 -9.290 -5.414 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.592 -8.133 -3.736 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.771 -7.260 -5.245 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.433 -7.687 -4.468 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.628 -7.411 -2.936 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.537 -5.512 -4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.278 -5.475 -5.007 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.116 -5.305 -2.261 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.238 -3.414 -4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.483 -2.121 -4.051 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.739 -3.828 -1.013 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.203 -2.353 -1.825 1.00 0.00 H new ATOM 741 N ASP A 53 -1.723 -9.483 -6.711 1.00 0.00 N ATOM 742 CA ASP A 53 -1.049 -9.482 -8.041 1.00 0.00 C ATOM 743 C ASP A 53 -1.129 -8.053 -8.606 1.00 0.00 C ATOM 744 O ASP A 53 -2.088 -7.353 -8.347 1.00 0.00 O ATOM 745 CB ASP A 53 -1.755 -10.455 -8.992 1.00 0.00 C ATOM 746 CG ASP A 53 -0.759 -11.514 -9.471 1.00 0.00 C ATOM 747 OD1 ASP A 53 -0.506 -12.443 -8.722 1.00 0.00 O ATOM 748 OD2 ASP A 53 -0.267 -11.379 -10.579 1.00 0.00 O ATOM 0 H ASP A 53 -1.115 -9.659 -5.912 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.011 -9.798 -7.938 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.593 -10.932 -8.485 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.165 -9.914 -9.845 1.00 0.00 H new ATOM 753 N PRO A 54 -0.117 -7.639 -9.335 1.00 0.00 N ATOM 754 CA PRO A 54 -0.069 -6.278 -9.903 1.00 0.00 C ATOM 755 C PRO A 54 -0.938 -6.146 -11.162 1.00 0.00 C ATOM 756 O PRO A 54 -1.882 -5.382 -11.195 1.00 0.00 O ATOM 757 CB PRO A 54 1.412 -6.088 -10.245 1.00 0.00 C ATOM 758 CG PRO A 54 2.013 -7.506 -10.399 1.00 0.00 C ATOM 759 CD PRO A 54 1.064 -8.470 -9.662 1.00 0.00 C ATOM 0 HA PRO A 54 -0.456 -5.530 -9.211 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.527 -5.516 -11.166 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.924 -5.533 -9.459 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.100 -7.777 -11.451 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.016 -7.550 -9.974 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.792 -9.319 -10.290 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.528 -8.875 -8.762 1.00 0.00 H new ATOM 767 N LYS A 55 -0.610 -6.856 -12.205 1.00 0.00 N ATOM 768 CA LYS A 55 -1.396 -6.745 -13.471 1.00 0.00 C ATOM 769 C LYS A 55 -2.883 -7.016 -13.225 1.00 0.00 C ATOM 770 O LYS A 55 -3.725 -6.614 -14.004 1.00 0.00 O ATOM 771 CB LYS A 55 -0.859 -7.751 -14.492 1.00 0.00 C ATOM 772 CG LYS A 55 -1.045 -9.173 -13.957 1.00 0.00 C ATOM 773 CD LYS A 55 -0.890 -10.176 -15.102 1.00 0.00 C ATOM 774 CE LYS A 55 0.386 -10.995 -14.897 1.00 0.00 C ATOM 775 NZ LYS A 55 0.030 -12.352 -14.390 1.00 0.00 N ATOM 0 H LYS A 55 0.171 -7.511 -12.238 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.291 -5.729 -13.852 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.383 -7.637 -15.441 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.196 -7.560 -14.686 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.311 -9.378 -13.178 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.030 -9.275 -13.501 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.756 -10.837 -15.140 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.848 -9.651 -16.056 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.932 -11.078 -15.836 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.044 -10.492 -14.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.897 -12.909 -14.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.474 -12.263 -13.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.582 -12.831 -15.081 1.00 0.00 H new ATOM 789 N GLN A 56 -3.222 -7.695 -12.166 1.00 0.00 N ATOM 790 CA GLN A 56 -4.663 -7.981 -11.912 1.00 0.00 C ATOM 791 C GLN A 56 -5.288 -6.835 -11.116 1.00 0.00 C ATOM 792 O GLN A 56 -6.398 -6.419 -11.378 1.00 0.00 O ATOM 793 CB GLN A 56 -4.797 -9.286 -11.125 1.00 0.00 C ATOM 794 CG GLN A 56 -6.248 -9.772 -11.183 1.00 0.00 C ATOM 795 CD GLN A 56 -6.288 -11.285 -10.965 1.00 0.00 C ATOM 796 OE1 GLN A 56 -5.454 -11.833 -10.271 1.00 0.00 O ATOM 797 NE2 GLN A 56 -7.231 -11.989 -11.529 1.00 0.00 N ATOM 0 H GLN A 56 -2.572 -8.062 -11.471 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.182 -8.078 -12.866 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.132 -10.043 -11.540 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.496 -9.131 -10.089 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.842 -9.268 -10.421 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.688 -9.521 -12.148 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.931 -11.530 -12.111 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.268 -12.998 -11.387 1.00 0.00 H new ATOM 806 N VAL A 57 -4.585 -6.319 -10.147 1.00 0.00 N ATOM 807 CA VAL A 57 -5.144 -5.199 -9.340 1.00 0.00 C ATOM 808 C VAL A 57 -4.945 -3.873 -10.076 1.00 0.00 C ATOM 809 O VAL A 57 -5.269 -2.820 -9.567 1.00 0.00 O ATOM 810 CB VAL A 57 -4.432 -5.152 -7.991 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.534 -6.526 -7.340 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.956 -4.790 -8.197 1.00 0.00 C ATOM 0 H VAL A 57 -3.649 -6.624 -9.879 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.211 -5.359 -9.187 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.895 -4.400 -7.353 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.029 -6.509 -6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.583 -6.784 -7.197 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.062 -7.269 -7.983 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.451 -4.757 -7.231 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.482 -5.541 -8.829 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.884 -3.814 -8.677 1.00 0.00 H new ATOM 822 N ILE A 58 -4.410 -3.910 -11.266 1.00 0.00 N ATOM 823 CA ILE A 58 -4.198 -2.650 -12.013 1.00 0.00 C ATOM 824 C ILE A 58 -5.558 -2.118 -12.465 1.00 0.00 C ATOM 825 O ILE A 58 -6.300 -2.772 -13.170 1.00 0.00 O ATOM 826 CB ILE A 58 -3.237 -2.925 -13.190 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.846 -2.479 -12.754 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.632 -2.152 -14.459 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.784 -3.277 -13.513 1.00 0.00 C ATOM 0 H ILE A 58 -4.113 -4.759 -11.748 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.736 -1.883 -11.391 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.273 -3.987 -13.433 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.719 -1.413 -12.945 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.727 -2.626 -11.681 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.926 -2.379 -15.258 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.635 -2.447 -14.767 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.615 -1.082 -14.253 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.208 -2.954 -13.198 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.905 -4.339 -13.299 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.897 -3.107 -14.584 1.00 0.00 H new ATOM 841 N GLY A 59 -5.885 -0.933 -12.044 1.00 0.00 N ATOM 842 CA GLY A 59 -7.198 -0.338 -12.422 1.00 0.00 C ATOM 843 C GLY A 59 -8.258 -0.721 -11.378 1.00 0.00 C ATOM 844 O GLY A 59 -9.349 -0.185 -11.368 1.00 0.00 O ATOM 0 H GLY A 59 -5.299 -0.345 -11.451 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.112 0.747 -12.486 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.499 -0.693 -13.408 1.00 0.00 H new ATOM 848 N LYS A 60 -7.952 -1.645 -10.498 1.00 0.00 N ATOM 849 CA LYS A 60 -8.949 -2.053 -9.464 1.00 0.00 C ATOM 850 C LYS A 60 -8.955 -1.038 -8.319 1.00 0.00 C ATOM 851 O LYS A 60 -7.924 -0.536 -7.914 1.00 0.00 O ATOM 852 CB LYS A 60 -8.580 -3.437 -8.913 1.00 0.00 C ATOM 853 CG LYS A 60 -8.373 -4.416 -10.074 1.00 0.00 C ATOM 854 CD LYS A 60 -9.623 -4.440 -10.959 1.00 0.00 C ATOM 855 CE LYS A 60 -10.055 -5.887 -11.203 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.739 -5.995 -12.526 1.00 0.00 N ATOM 0 H LYS A 60 -7.057 -2.132 -10.453 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.939 -2.091 -9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.672 -3.370 -8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.370 -3.800 -8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.505 -4.119 -10.662 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.170 -5.415 -9.688 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.430 -3.885 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.417 -3.947 -11.909 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.186 -6.545 -11.178 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.726 -6.215 -10.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.030 -6.980 -12.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.578 -5.380 -12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.086 -5.700 -13.280 1.00 0.00 H new ATOM 870 N ASN A 61 -10.109 -0.737 -7.788 1.00 0.00 N ATOM 871 CA ASN A 61 -10.182 0.237 -6.664 1.00 0.00 C ATOM 872 C ASN A 61 -9.844 -0.484 -5.357 1.00 0.00 C ATOM 873 O ASN A 61 -10.696 -1.066 -4.715 1.00 0.00 O ATOM 874 CB ASN A 61 -11.593 0.822 -6.580 1.00 0.00 C ATOM 875 CG ASN A 61 -11.537 2.326 -6.845 1.00 0.00 C ATOM 876 OD1 ASN A 61 -12.041 3.111 -6.067 1.00 0.00 O ATOM 877 ND2 ASN A 61 -10.938 2.762 -7.919 1.00 0.00 N ATOM 0 H ASN A 61 -11.005 -1.124 -8.085 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.471 1.046 -6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.243 0.337 -7.308 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.020 0.631 -5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.892 3.764 -8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.515 2.101 -8.571 1.00 0.00 H new ATOM 884 N PHE A 62 -8.602 -0.458 -4.966 1.00 0.00 N ATOM 885 CA PHE A 62 -8.185 -1.145 -3.710 1.00 0.00 C ATOM 886 C PHE A 62 -9.038 -0.668 -2.536 1.00 0.00 C ATOM 887 O PHE A 62 -9.131 -1.330 -1.521 1.00 0.00 O ATOM 888 CB PHE A 62 -6.708 -0.823 -3.444 1.00 0.00 C ATOM 889 CG PHE A 62 -6.346 -1.094 -2.000 1.00 0.00 C ATOM 890 CD1 PHE A 62 -6.232 -2.408 -1.554 1.00 0.00 C ATOM 891 CD2 PHE A 62 -6.115 -0.029 -1.120 1.00 0.00 C ATOM 892 CE1 PHE A 62 -5.882 -2.668 -0.228 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.766 -0.287 0.212 1.00 0.00 C ATOM 894 CZ PHE A 62 -5.645 -1.609 0.657 1.00 0.00 C ATOM 0 H PHE A 62 -7.849 0.014 -5.467 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.321 -2.221 -3.819 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.077 -1.423 -4.100 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.511 0.222 -3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.414 -3.227 -2.234 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.206 0.989 -1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.794 -3.688 0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.591 0.532 0.894 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.369 -1.812 1.681 1.00 0.00 H new ATOM 904 N PHE A 63 -9.623 0.481 -2.644 1.00 0.00 N ATOM 905 CA PHE A 63 -10.422 0.995 -1.501 1.00 0.00 C ATOM 906 C PHE A 63 -11.852 0.452 -1.560 1.00 0.00 C ATOM 907 O PHE A 63 -12.486 0.241 -0.545 1.00 0.00 O ATOM 908 CB PHE A 63 -10.441 2.519 -1.540 1.00 0.00 C ATOM 909 CG PHE A 63 -9.299 3.035 -0.703 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.313 2.841 0.682 1.00 0.00 C ATOM 911 CD2 PHE A 63 -8.226 3.695 -1.309 1.00 0.00 C ATOM 912 CE1 PHE A 63 -8.251 3.310 1.462 1.00 0.00 C ATOM 913 CE2 PHE A 63 -7.164 4.165 -0.527 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.177 3.973 0.859 1.00 0.00 C ATOM 0 H PHE A 63 -9.587 1.086 -3.464 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.965 0.661 -0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -10.347 2.872 -2.567 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.390 2.896 -1.159 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.142 2.330 1.148 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.216 3.842 -2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.260 3.160 2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.335 4.676 -0.994 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.359 4.336 1.463 1.00 0.00 H new ATOM 924 N LYS A 64 -12.367 0.217 -2.734 1.00 0.00 N ATOM 925 CA LYS A 64 -13.754 -0.316 -2.845 1.00 0.00 C ATOM 926 C LYS A 64 -13.821 -1.281 -4.027 1.00 0.00 C ATOM 927 O LYS A 64 -14.711 -1.211 -4.853 1.00 0.00 O ATOM 928 CB LYS A 64 -14.736 0.837 -3.068 1.00 0.00 C ATOM 929 CG LYS A 64 -14.309 1.640 -4.299 1.00 0.00 C ATOM 930 CD LYS A 64 -15.169 2.902 -4.410 1.00 0.00 C ATOM 931 CE LYS A 64 -14.268 4.138 -4.453 1.00 0.00 C ATOM 932 NZ LYS A 64 -14.384 4.790 -5.789 1.00 0.00 N ATOM 0 H LYS A 64 -11.888 0.371 -3.621 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.021 -0.837 -1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.745 0.448 -3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.761 1.483 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.256 1.910 -4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.418 1.033 -5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.784 2.857 -5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.850 2.966 -3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.555 4.838 -3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.233 3.854 -4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.295 5.821 -5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.629 4.440 -6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.310 4.564 -6.206 1.00 0.00 H new ATOM 946 N ASP A 65 -12.879 -2.178 -4.118 1.00 0.00 N ATOM 947 CA ASP A 65 -12.882 -3.143 -5.252 1.00 0.00 C ATOM 948 C ASP A 65 -11.922 -4.303 -4.967 1.00 0.00 C ATOM 949 O ASP A 65 -12.168 -5.425 -5.361 1.00 0.00 O ATOM 950 CB ASP A 65 -12.449 -2.422 -6.530 1.00 0.00 C ATOM 951 CG ASP A 65 -13.222 -2.985 -7.723 1.00 0.00 C ATOM 952 OD1 ASP A 65 -12.747 -3.943 -8.312 1.00 0.00 O ATOM 953 OD2 ASP A 65 -14.275 -2.451 -8.027 1.00 0.00 O ATOM 0 H ASP A 65 -12.109 -2.284 -3.458 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.888 -3.543 -5.376 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.634 -1.352 -6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.378 -2.548 -6.686 1.00 0.00 H new ATOM 958 N VAL A 66 -10.830 -4.056 -4.289 1.00 0.00 N ATOM 959 CA VAL A 66 -9.884 -5.159 -3.997 1.00 0.00 C ATOM 960 C VAL A 66 -9.986 -5.520 -2.534 1.00 0.00 C ATOM 961 O VAL A 66 -10.209 -6.651 -2.154 1.00 0.00 O ATOM 962 CB VAL A 66 -8.456 -4.682 -4.214 1.00 0.00 C ATOM 963 CG1 VAL A 66 -7.527 -5.886 -4.220 1.00 0.00 C ATOM 964 CG2 VAL A 66 -8.332 -3.918 -5.527 1.00 0.00 C ATOM 0 H VAL A 66 -10.559 -3.141 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.124 -6.002 -4.645 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.180 -4.006 -3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.501 -5.553 -4.375 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.599 -6.406 -3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.814 -6.563 -5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.302 -3.587 -5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.614 -4.569 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.992 -3.051 -5.507 1.00 0.00 H new ATOM 974 N ALA A 67 -9.768 -4.541 -1.721 1.00 0.00 N ATOM 975 CA ALA A 67 -9.781 -4.740 -0.263 1.00 0.00 C ATOM 976 C ALA A 67 -11.081 -4.180 0.329 1.00 0.00 C ATOM 977 O ALA A 67 -11.197 -2.985 0.515 1.00 0.00 O ATOM 978 CB ALA A 67 -8.590 -3.973 0.286 1.00 0.00 C ATOM 0 H ALA A 67 -9.576 -3.584 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.724 -5.798 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.552 -4.087 1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.672 -4.364 -0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.691 -2.917 0.036 1.00 0.00 H new ATOM 984 N PRO A 68 -12.024 -5.050 0.624 1.00 0.00 N ATOM 985 CA PRO A 68 -13.312 -4.632 1.205 1.00 0.00 C ATOM 986 C PRO A 68 -13.146 -4.290 2.689 1.00 0.00 C ATOM 987 O PRO A 68 -14.090 -3.921 3.358 1.00 0.00 O ATOM 988 CB PRO A 68 -14.209 -5.858 1.020 1.00 0.00 C ATOM 989 CG PRO A 68 -13.265 -7.073 0.872 1.00 0.00 C ATOM 990 CD PRO A 68 -11.903 -6.515 0.424 1.00 0.00 C ATOM 0 HA PRO A 68 -13.723 -3.739 0.735 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.874 -5.985 1.874 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.840 -5.747 0.138 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.173 -7.610 1.816 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.655 -7.780 0.140 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.088 -6.931 1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.697 -6.759 -0.618 1.00 0.00 H new ATOM 998 N CYS A 69 -11.954 -4.415 3.214 1.00 0.00 N ATOM 999 CA CYS A 69 -11.738 -4.101 4.649 1.00 0.00 C ATOM 1000 C CYS A 69 -11.116 -2.704 4.785 1.00 0.00 C ATOM 1001 O CYS A 69 -11.217 -2.068 5.815 1.00 0.00 O ATOM 1002 CB CYS A 69 -10.811 -5.170 5.260 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.087 -4.899 4.753 1.00 0.00 S ATOM 0 H CYS A 69 -11.124 -4.721 2.707 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.689 -4.106 5.181 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.883 -5.142 6.347 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.135 -6.162 4.945 1.00 0.00 H new ATOM 1008 N THR A 70 -10.462 -2.227 3.755 1.00 0.00 N ATOM 1009 CA THR A 70 -9.828 -0.883 3.839 1.00 0.00 C ATOM 1010 C THR A 70 -10.870 0.207 3.568 1.00 0.00 C ATOM 1011 O THR A 70 -10.553 1.380 3.530 1.00 0.00 O ATOM 1012 CB THR A 70 -8.694 -0.788 2.812 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.131 -1.327 1.572 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.486 -1.580 3.313 1.00 0.00 C ATOM 0 H THR A 70 -10.342 -2.711 2.865 1.00 0.00 H new ATOM 0 HA THR A 70 -9.422 -0.739 4.840 1.00 0.00 H new ATOM 0 HB THR A 70 -8.414 0.257 2.676 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.724 -0.825 0.835 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.679 -1.513 2.583 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.150 -1.168 4.265 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.767 -2.624 3.449 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.112 -0.159 3.392 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.155 0.871 3.143 1.00 0.00 C ATOM 1024 C ASP A 71 -13.754 1.297 4.481 1.00 0.00 C ATOM 1025 O ASP A 71 -14.955 1.309 4.667 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.248 0.290 2.245 1.00 0.00 C ATOM 1027 CG ASP A 71 -15.239 1.393 1.868 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -14.926 2.163 0.975 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -16.294 1.448 2.478 1.00 0.00 O ATOM 0 H ASP A 71 -12.446 -1.123 3.410 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.714 1.735 2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.805 -0.138 1.346 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.766 -0.518 2.761 1.00 0.00 H new ATOM 1034 N SER A 72 -12.913 1.647 5.413 1.00 0.00 N ATOM 1035 CA SER A 72 -13.402 2.077 6.752 1.00 0.00 C ATOM 1036 C SER A 72 -12.908 3.503 7.028 1.00 0.00 C ATOM 1037 O SER A 72 -12.220 4.070 6.202 1.00 0.00 O ATOM 1038 CB SER A 72 -12.857 1.127 7.820 1.00 0.00 C ATOM 1039 OG SER A 72 -12.424 -0.076 7.200 1.00 0.00 O ATOM 0 H SER A 72 -11.899 1.654 5.303 1.00 0.00 H new ATOM 0 HA SER A 72 -14.492 2.056 6.775 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.028 1.595 8.351 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.628 0.912 8.560 1.00 0.00 H new ATOM 0 HG SER A 72 -11.778 -0.529 7.781 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.269 4.051 8.172 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.861 5.418 8.545 1.00 0.00 C ATOM 1047 C PRO A 73 -11.412 5.446 9.057 1.00 0.00 C ATOM 1048 O PRO A 73 -10.859 6.498 9.308 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.839 5.794 9.663 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.361 4.464 10.254 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.110 3.378 9.191 1.00 0.00 C ATOM 0 HA PRO A 73 -12.890 6.109 7.702 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.343 6.391 10.428 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.661 6.395 9.274 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.843 4.224 11.183 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.423 4.536 10.490 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.602 2.513 9.618 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.045 3.018 8.761 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.790 4.306 9.214 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.387 4.291 9.706 1.00 0.00 C ATOM 1061 C GLU A 74 -8.435 4.029 8.538 1.00 0.00 C ATOM 1062 O GLU A 74 -7.276 4.393 8.573 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.217 3.192 10.750 1.00 0.00 C ATOM 1064 CG GLU A 74 -10.178 3.437 11.915 1.00 0.00 C ATOM 1065 CD GLU A 74 -9.504 4.339 12.951 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -8.596 5.062 12.576 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -9.908 4.291 14.101 1.00 0.00 O ATOM 0 H GLU A 74 -11.194 3.389 9.023 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.157 5.257 10.155 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.413 2.218 10.302 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.189 3.175 11.111 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.094 3.903 11.553 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.462 2.489 12.372 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.916 3.409 7.502 1.00 0.00 N ATOM 1075 CA PHE A 75 -8.047 3.136 6.326 1.00 0.00 C ATOM 1076 C PHE A 75 -8.411 4.138 5.225 1.00 0.00 C ATOM 1077 O PHE A 75 -7.669 5.060 4.936 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.286 1.705 5.840 1.00 0.00 C ATOM 1079 CG PHE A 75 -6.992 1.131 5.315 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.471 1.595 4.105 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.319 0.134 6.030 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.280 1.067 3.606 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.122 -0.396 5.530 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.602 0.072 4.317 1.00 0.00 C ATOM 0 H PHE A 75 -9.877 3.078 7.417 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.995 3.241 6.590 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.664 1.090 6.657 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.044 1.697 5.057 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.991 2.365 3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.721 -0.226 6.965 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.881 1.427 2.669 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.601 -1.165 6.080 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.679 -0.335 3.931 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.570 3.995 4.631 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.982 4.968 3.582 1.00 0.00 C ATOM 1096 C TYR A 76 -10.318 6.297 4.260 1.00 0.00 C ATOM 1097 O TYR A 76 -10.332 7.329 3.634 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.211 4.449 2.831 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.497 5.343 1.640 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.476 5.659 0.732 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.787 5.851 1.441 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.743 6.480 -0.371 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -13.055 6.673 0.338 1.00 0.00 C ATOM 1104 CZ TYR A 76 -12.032 6.987 -0.568 1.00 0.00 C ATOM 1105 OH TYR A 76 -12.299 7.797 -1.653 1.00 0.00 O ATOM 0 H TYR A 76 -10.241 3.252 4.827 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.171 5.102 2.867 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.040 3.426 2.497 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.074 4.427 3.497 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.481 5.268 0.884 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.576 5.609 2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.955 6.721 -1.069 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -14.050 7.065 0.186 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.243 8.061 -1.640 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.584 6.274 5.542 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.899 7.535 6.273 1.00 0.00 C ATOM 1117 C GLY A 77 -9.688 8.458 6.241 1.00 0.00 C ATOM 1118 O GLY A 77 -9.737 9.555 5.721 1.00 0.00 O ATOM 0 H GLY A 77 -10.596 5.430 6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.757 8.028 5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.172 7.311 7.304 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.598 8.018 6.804 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.373 8.865 6.821 1.00 0.00 C ATOM 1124 C LYS A 78 -6.905 9.111 5.392 1.00 0.00 C ATOM 1125 O LYS A 78 -6.123 9.996 5.134 1.00 0.00 O ATOM 1126 CB LYS A 78 -6.277 8.175 7.642 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.888 7.506 8.892 1.00 0.00 C ATOM 1128 CD LYS A 78 -8.018 8.374 9.475 1.00 0.00 C ATOM 1129 CE LYS A 78 -8.030 8.256 11.002 1.00 0.00 C ATOM 1130 NZ LYS A 78 -7.001 9.167 11.580 1.00 0.00 N ATOM 0 H LYS A 78 -8.502 7.107 7.254 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.597 9.826 7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.771 7.427 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.524 8.904 7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.276 6.522 8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.114 7.354 9.644 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.877 9.415 9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.979 8.057 9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.016 8.512 11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.828 7.227 11.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.009 9.087 12.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.062 8.903 11.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.213 10.148 11.307 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.392 8.342 4.462 1.00 0.00 N ATOM 1145 CA PHE A 79 -7.010 8.545 3.050 1.00 0.00 C ATOM 1146 C PHE A 79 -7.810 9.721 2.502 1.00 0.00 C ATOM 1147 O PHE A 79 -7.297 10.542 1.786 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.343 7.275 2.273 1.00 0.00 C ATOM 1149 CG PHE A 79 -7.240 7.493 0.774 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -8.266 8.167 0.095 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -6.141 6.995 0.059 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -8.191 8.341 -1.292 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -6.072 7.175 -1.322 1.00 0.00 C ATOM 1154 CZ PHE A 79 -7.095 7.841 -1.997 1.00 0.00 C ATOM 0 H PHE A 79 -8.044 7.575 4.627 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.945 8.756 2.957 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.664 6.476 2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.352 6.948 2.525 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -9.114 8.552 0.642 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.350 6.473 0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.980 8.861 -1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.223 6.797 -1.872 1.00 0.00 H new ATOM 0 HZ PHE A 79 -7.039 7.970 -3.068 1.00 0.00 H new ATOM 1164 N LYS A 80 -9.059 9.813 2.850 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.875 10.941 2.367 1.00 0.00 C ATOM 1166 C LYS A 80 -9.534 12.181 3.193 1.00 0.00 C ATOM 1167 O LYS A 80 -9.974 13.275 2.902 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.356 10.607 2.530 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.920 10.111 1.196 1.00 0.00 C ATOM 1170 CD LYS A 80 -13.368 10.585 1.042 1.00 0.00 C ATOM 1171 CE LYS A 80 -13.391 11.911 0.280 1.00 0.00 C ATOM 1172 NZ LYS A 80 -14.758 12.146 -0.264 1.00 0.00 N ATOM 0 H LYS A 80 -9.547 9.149 3.451 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.666 11.128 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.485 9.844 3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.904 11.489 2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.314 10.487 0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.877 9.023 1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.952 9.836 0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.828 10.708 2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.106 12.728 0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.664 11.889 -0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.775 13.047 -0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.013 11.371 -0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.441 12.184 0.519 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.740 12.014 4.220 1.00 0.00 N ATOM 1187 CA GLU A 81 -8.356 13.182 5.061 1.00 0.00 C ATOM 1188 C GLU A 81 -7.012 13.698 4.566 1.00 0.00 C ATOM 1189 O GLU A 81 -6.774 14.886 4.477 1.00 0.00 O ATOM 1190 CB GLU A 81 -8.237 12.748 6.524 1.00 0.00 C ATOM 1191 CG GLU A 81 -9.490 11.971 6.930 1.00 0.00 C ATOM 1192 CD GLU A 81 -10.232 12.736 8.026 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -10.813 13.763 7.715 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -10.207 12.283 9.159 1.00 0.00 O ATOM 0 H GLU A 81 -8.343 11.120 4.510 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.111 13.965 4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.352 12.127 6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.114 13.621 7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.140 11.831 6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.216 10.978 7.287 1.00 0.00 H new ATOM 1201 N GLY A 82 -6.140 12.797 4.221 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.807 13.202 3.698 1.00 0.00 C ATOM 1203 C GLY A 82 -5.010 13.804 2.312 1.00 0.00 C ATOM 1204 O GLY A 82 -4.445 14.821 1.969 1.00 0.00 O ATOM 0 H GLY A 82 -6.293 11.790 4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.340 13.927 4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.140 12.341 3.646 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.835 13.178 1.521 1.00 0.00 N ATOM 1209 CA VAL A 83 -6.111 13.707 0.156 1.00 0.00 C ATOM 1210 C VAL A 83 -6.662 15.132 0.270 1.00 0.00 C ATOM 1211 O VAL A 83 -6.381 15.987 -0.546 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.165 12.831 -0.527 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.440 13.372 -1.931 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.664 11.388 -0.625 1.00 0.00 C ATOM 0 H VAL A 83 -6.332 12.320 1.761 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.189 13.704 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.082 12.850 0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.190 12.750 -2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.807 14.396 -1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.519 13.356 -2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.420 10.773 -1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.744 11.361 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.471 11.001 0.376 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.466 15.381 1.269 1.00 0.00 N ATOM 1225 CA ALA A 84 -8.064 16.738 1.435 1.00 0.00 C ATOM 1226 C ALA A 84 -7.230 17.592 2.401 1.00 0.00 C ATOM 1227 O ALA A 84 -7.521 18.753 2.613 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.481 16.590 1.991 1.00 0.00 C ATOM 0 H ALA A 84 -7.735 14.701 1.980 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.083 17.234 0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.928 17.576 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.084 16.004 1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.442 16.084 2.956 1.00 0.00 H new ATOM 1234 N SER A 85 -6.209 17.040 2.997 1.00 0.00 N ATOM 1235 CA SER A 85 -5.388 17.845 3.950 1.00 0.00 C ATOM 1236 C SER A 85 -4.105 18.329 3.266 1.00 0.00 C ATOM 1237 O SER A 85 -3.456 19.245 3.730 1.00 0.00 O ATOM 1238 CB SER A 85 -5.018 16.986 5.160 1.00 0.00 C ATOM 1239 OG SER A 85 -6.184 16.737 5.934 1.00 0.00 O ATOM 0 H SER A 85 -5.908 16.074 2.868 1.00 0.00 H new ATOM 0 HA SER A 85 -5.970 18.708 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.578 16.045 4.831 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.267 17.494 5.765 1.00 0.00 H new ATOM 0 HG SER A 85 -6.468 15.808 5.808 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.728 17.721 2.176 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.481 18.152 1.483 1.00 0.00 C ATOM 1247 C GLY A 86 -1.263 17.557 2.197 1.00 0.00 C ATOM 1248 O GLY A 86 -0.146 17.994 2.005 1.00 0.00 O ATOM 0 H GLY A 86 -4.227 16.947 1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.500 17.826 0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.415 19.240 1.475 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.468 16.564 3.022 1.00 0.00 N ATOM 1253 CA ASN A 87 -0.326 15.941 3.749 1.00 0.00 C ATOM 1254 C ASN A 87 -0.725 14.529 4.178 1.00 0.00 C ATOM 1255 O ASN A 87 -0.808 14.225 5.351 1.00 0.00 O ATOM 1256 CB ASN A 87 0.008 16.773 4.989 1.00 0.00 C ATOM 1257 CG ASN A 87 1.525 16.814 5.187 1.00 0.00 C ATOM 1258 OD1 ASN A 87 2.059 16.113 6.023 1.00 0.00 O ATOM 1259 ND2 ASN A 87 2.246 17.611 4.449 1.00 0.00 N ATOM 0 H ASN A 87 -2.381 16.157 3.223 1.00 0.00 H new ATOM 0 HA ASN A 87 0.547 15.900 3.098 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.382 17.785 4.876 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.472 16.343 5.868 1.00 0.00 H new ATOM 0 HD21 ASN A 87 3.258 17.646 4.574 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.798 18.200 3.747 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.982 13.667 3.233 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.385 12.276 3.581 1.00 0.00 C ATOM 1268 C LEU A 88 -0.231 11.561 4.277 1.00 0.00 C ATOM 1269 O LEU A 88 0.788 11.285 3.683 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.765 11.520 2.309 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.811 10.455 2.644 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -4.013 10.598 1.708 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -2.195 9.066 2.472 1.00 0.00 C ATOM 0 H LEU A 88 -0.930 13.866 2.234 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.242 12.309 4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.160 12.212 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.882 11.053 1.872 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.140 10.585 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.755 9.837 1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.454 11.587 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.687 10.471 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.939 8.306 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.865 8.940 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.342 8.961 3.142 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.389 11.254 5.534 1.00 0.00 N ATOM 1286 CA ASN A 89 0.690 10.547 6.275 1.00 0.00 C ATOM 1287 C ASN A 89 0.092 9.900 7.522 1.00 0.00 C ATOM 1288 O ASN A 89 0.109 10.469 8.595 1.00 0.00 O ATOM 1289 CB ASN A 89 1.771 11.549 6.686 1.00 0.00 C ATOM 1290 CG ASN A 89 1.119 12.764 7.347 1.00 0.00 C ATOM 1291 OD1 ASN A 89 -0.064 12.756 7.626 1.00 0.00 O ATOM 1292 ND2 ASN A 89 1.845 13.816 7.612 1.00 0.00 N ATOM 0 H ASN A 89 -1.223 11.464 6.082 1.00 0.00 H new ATOM 0 HA ASN A 89 1.135 9.782 5.639 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.473 11.080 7.376 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.343 11.861 5.812 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.420 14.631 8.053 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.838 13.823 7.378 1.00 0.00 H new ATOM 1299 N THR A 90 -0.451 8.720 7.394 1.00 0.00 N ATOM 1300 CA THR A 90 -1.059 8.063 8.584 1.00 0.00 C ATOM 1301 C THR A 90 -0.600 6.607 8.683 1.00 0.00 C ATOM 1302 O THR A 90 -0.422 5.927 7.691 1.00 0.00 O ATOM 1303 CB THR A 90 -2.584 8.105 8.462 1.00 0.00 C ATOM 1304 OG1 THR A 90 -3.166 7.478 9.596 1.00 0.00 O ATOM 1305 CG2 THR A 90 -3.015 7.369 7.193 1.00 0.00 C ATOM 0 H THR A 90 -0.500 8.187 6.526 1.00 0.00 H new ATOM 0 HA THR A 90 -0.742 8.595 9.481 1.00 0.00 H new ATOM 0 HB THR A 90 -2.917 9.142 8.410 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.938 6.944 9.314 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.101 7.399 7.106 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.568 7.851 6.323 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.684 6.332 7.244 1.00 0.00 H new ATOM 1313 N MET A 91 -0.422 6.124 9.881 1.00 0.00 N ATOM 1314 CA MET A 91 0.009 4.712 10.074 1.00 0.00 C ATOM 1315 C MET A 91 -0.882 4.075 11.139 1.00 0.00 C ATOM 1316 O MET A 91 -1.438 4.752 11.981 1.00 0.00 O ATOM 1317 CB MET A 91 1.469 4.676 10.532 1.00 0.00 C ATOM 1318 CG MET A 91 1.661 5.633 11.711 1.00 0.00 C ATOM 1319 SD MET A 91 2.933 4.977 12.819 1.00 0.00 S ATOM 1320 CE MET A 91 4.364 5.708 11.985 1.00 0.00 C ATOM 0 H MET A 91 -0.558 6.653 10.743 1.00 0.00 H new ATOM 0 HA MET A 91 -0.079 4.163 9.137 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.744 3.663 10.825 1.00 0.00 H new ATOM 0 HB3 MET A 91 2.126 4.960 9.710 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.952 6.619 11.349 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.722 5.756 12.250 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.275 5.426 12.512 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.412 5.345 10.958 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.268 6.794 11.982 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.029 2.784 11.109 1.00 0.00 N ATOM 1331 CA PHE A 92 -1.892 2.113 12.119 1.00 0.00 C ATOM 1332 C PHE A 92 -1.693 0.601 12.045 1.00 0.00 C ATOM 1333 O PHE A 92 -0.841 0.106 11.338 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.364 2.452 11.850 1.00 0.00 C ATOM 1335 CG PHE A 92 -3.676 2.343 10.371 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -3.413 3.420 9.516 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.246 1.172 9.858 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -3.721 3.323 8.150 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.556 1.078 8.495 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.295 2.152 7.641 1.00 0.00 C ATOM 0 H PHE A 92 -0.590 2.163 10.430 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.617 2.464 13.114 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.007 1.776 12.413 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.580 3.462 12.199 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.973 4.325 9.907 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.447 0.339 10.515 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.515 4.153 7.491 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.998 0.173 8.104 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.535 2.079 6.591 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.476 -0.136 12.773 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.345 -1.617 12.741 1.00 0.00 C ATOM 1352 C GLU A 93 -3.598 -2.196 12.095 1.00 0.00 C ATOM 1353 O GLU A 93 -4.677 -2.146 12.651 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.202 -2.156 14.167 1.00 0.00 C ATOM 1355 CG GLU A 93 -0.866 -2.889 14.308 1.00 0.00 C ATOM 1356 CD GLU A 93 -1.071 -4.170 15.118 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -1.914 -4.160 16.000 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -0.381 -5.137 14.844 1.00 0.00 O ATOM 0 H GLU A 93 -3.204 0.222 13.391 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.462 -1.902 12.169 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.256 -1.336 14.883 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.025 -2.833 14.395 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.465 -3.129 13.323 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.137 -2.247 14.802 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.469 -2.731 10.917 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.659 -3.295 10.231 1.00 0.00 C ATOM 1367 C TYR A 94 -4.478 -4.802 10.052 1.00 0.00 C ATOM 1368 O TYR A 94 -3.430 -5.350 10.325 1.00 0.00 O ATOM 1369 CB TYR A 94 -4.810 -2.624 8.864 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.262 -2.290 8.620 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.852 -1.206 9.280 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.015 -3.064 7.731 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.198 -0.896 9.052 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.361 -2.755 7.503 1.00 0.00 C ATOM 1375 CZ TYR A 94 -8.952 -1.670 8.163 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.279 -1.365 7.938 1.00 0.00 O ATOM 0 H TYR A 94 -2.593 -2.802 10.400 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.553 -3.112 10.828 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.206 -1.717 8.824 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.442 -3.286 8.080 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.269 -0.609 9.965 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.558 -3.899 7.221 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.654 -0.060 9.562 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.944 -3.353 6.818 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.664 -2.019 7.318 1.00 0.00 H new ATOM 1386 N THR A 95 -5.497 -5.473 9.597 1.00 0.00 N ATOM 1387 CA THR A 95 -5.394 -6.943 9.401 1.00 0.00 C ATOM 1388 C THR A 95 -6.178 -7.335 8.151 1.00 0.00 C ATOM 1389 O THR A 95 -7.390 -7.255 8.116 1.00 0.00 O ATOM 1390 CB THR A 95 -5.980 -7.663 10.616 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.270 -7.273 11.782 1.00 0.00 O ATOM 1392 CG2 THR A 95 -5.861 -9.177 10.426 1.00 0.00 C ATOM 0 H THR A 95 -6.399 -5.065 9.352 1.00 0.00 H new ATOM 0 HA THR A 95 -4.348 -7.226 9.284 1.00 0.00 H new ATOM 0 HB THR A 95 -7.032 -7.396 10.723 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.888 -6.853 12.416 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.280 -9.687 11.294 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.407 -9.475 9.531 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.811 -9.449 10.317 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.501 -7.757 7.124 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.218 -8.152 5.878 1.00 0.00 C ATOM 1402 C PHE A 96 -6.699 -9.596 6.009 1.00 0.00 C ATOM 1403 O PHE A 96 -5.912 -10.511 6.138 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.279 -8.028 4.674 1.00 0.00 C ATOM 1405 CG PHE A 96 -4.714 -6.622 4.581 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.417 -5.527 5.110 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.480 -6.416 3.954 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -4.886 -4.237 5.010 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -2.950 -5.124 3.855 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.653 -4.034 4.382 1.00 0.00 C ATOM 0 H PHE A 96 -4.485 -7.846 7.090 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.074 -7.494 5.729 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.465 -8.748 4.765 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.819 -8.270 3.758 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.370 -5.682 5.595 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -2.936 -7.255 3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.429 -3.397 5.418 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -1.997 -4.968 3.371 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.244 -3.038 4.304 1.00 0.00 H new ATOM 1420 N ASP A 97 -7.986 -9.810 5.983 1.00 0.00 N ATOM 1421 CA ASP A 97 -8.507 -11.197 6.117 1.00 0.00 C ATOM 1422 C ASP A 97 -9.789 -11.352 5.299 1.00 0.00 C ATOM 1423 O ASP A 97 -10.767 -11.905 5.761 1.00 0.00 O ATOM 1424 CB ASP A 97 -8.793 -11.484 7.594 1.00 0.00 C ATOM 1425 CG ASP A 97 -9.331 -12.907 7.752 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -8.645 -13.828 7.345 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -10.422 -13.050 8.280 1.00 0.00 O ATOM 0 H ASP A 97 -8.696 -9.086 5.875 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.765 -11.904 5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.882 -11.363 8.180 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -9.518 -10.767 7.979 1.00 0.00 H new ATOM 1432 N TYR A 98 -9.786 -10.899 4.078 1.00 0.00 N ATOM 1433 CA TYR A 98 -11.000 -11.064 3.238 1.00 0.00 C ATOM 1434 C TYR A 98 -10.999 -12.508 2.741 1.00 0.00 C ATOM 1435 O TYR A 98 -9.960 -13.008 2.377 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.955 -10.085 2.051 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.759 -10.386 1.169 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -9.788 -11.487 0.306 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -8.622 -9.568 1.220 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -8.686 -11.776 -0.503 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -7.516 -9.856 0.406 1.00 0.00 C ATOM 1442 CZ TYR A 98 -7.549 -10.962 -0.453 1.00 0.00 C ATOM 1443 OH TYR A 98 -6.461 -11.247 -1.253 1.00 0.00 O ATOM 0 H TYR A 98 -9.002 -10.426 3.629 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.906 -10.852 3.806 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.874 -10.164 1.470 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.897 -9.060 2.417 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.665 -12.116 0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -8.597 -8.717 1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.712 -12.628 -1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.640 -9.225 0.442 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.025 -12.064 -0.933 1.00 0.00 H new ATOM 1453 N GLN A 99 -12.149 -13.169 2.762 1.00 0.00 N ATOM 1454 CA GLN A 99 -12.287 -14.619 2.323 1.00 0.00 C ATOM 1455 C GLN A 99 -10.947 -15.229 1.894 1.00 0.00 C ATOM 1456 O GLN A 99 -10.727 -15.530 0.738 1.00 0.00 O ATOM 1457 CB GLN A 99 -13.271 -14.701 1.154 1.00 0.00 C ATOM 1458 CG GLN A 99 -12.905 -13.659 0.097 1.00 0.00 C ATOM 1459 CD GLN A 99 -14.042 -13.552 -0.921 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -13.921 -14.020 -2.036 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -15.150 -12.951 -0.582 1.00 0.00 N ATOM 0 H GLN A 99 -13.026 -12.752 3.075 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.651 -15.188 3.179 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -13.249 -15.699 0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -14.287 -14.531 1.509 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.731 -12.692 0.568 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.979 -13.941 -0.403 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -15.251 -12.558 0.354 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -15.914 -12.874 -1.253 1.00 0.00 H new ATOM 1470 N MET A 100 -10.042 -15.378 2.821 1.00 0.00 N ATOM 1471 CA MET A 100 -8.705 -15.928 2.474 1.00 0.00 C ATOM 1472 C MET A 100 -7.996 -16.397 3.758 1.00 0.00 C ATOM 1473 O MET A 100 -8.186 -17.511 4.202 1.00 0.00 O ATOM 1474 CB MET A 100 -7.885 -14.830 1.775 1.00 0.00 C ATOM 1475 CG MET A 100 -6.513 -15.383 1.389 1.00 0.00 C ATOM 1476 SD MET A 100 -5.558 -14.100 0.543 1.00 0.00 S ATOM 1477 CE MET A 100 -5.273 -13.037 1.980 1.00 0.00 C ATOM 0 H MET A 100 -10.172 -15.142 3.805 1.00 0.00 H new ATOM 0 HA MET A 100 -8.808 -16.781 1.803 1.00 0.00 H new ATOM 0 HB2 MET A 100 -8.410 -14.480 0.887 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.769 -13.971 2.436 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.981 -15.719 2.279 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.629 -16.251 0.741 1.00 0.00 H new ATOM 0 HE1 MET A 100 -5.673 -12.043 1.782 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.771 -13.462 2.851 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.203 -12.966 2.173 1.00 0.00 H new ATOM 1487 N THR A 101 -7.190 -15.561 4.365 1.00 0.00 N ATOM 1488 CA THR A 101 -6.493 -15.967 5.614 1.00 0.00 C ATOM 1489 C THR A 101 -6.286 -14.722 6.488 1.00 0.00 C ATOM 1490 O THR A 101 -6.363 -13.614 5.995 1.00 0.00 O ATOM 1491 CB THR A 101 -5.134 -16.579 5.266 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.728 -16.136 3.980 1.00 0.00 O ATOM 1493 CG2 THR A 101 -5.241 -18.105 5.272 1.00 0.00 C ATOM 0 H THR A 101 -6.987 -14.614 4.045 1.00 0.00 H new ATOM 0 HA THR A 101 -7.090 -16.704 6.151 1.00 0.00 H new ATOM 0 HB THR A 101 -4.397 -16.266 6.006 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.857 -16.527 3.759 1.00 0.00 H new ATOM 0 HG21 THR A 101 -4.272 -18.539 5.024 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.548 -18.444 6.261 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.979 -18.421 4.535 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.035 -14.928 7.762 1.00 0.00 N ATOM 1502 CA PRO A 102 -5.823 -13.816 8.707 1.00 0.00 C ATOM 1503 C PRO A 102 -4.418 -13.229 8.533 1.00 0.00 C ATOM 1504 O PRO A 102 -3.425 -13.888 8.770 1.00 0.00 O ATOM 1505 CB PRO A 102 -5.984 -14.472 10.081 1.00 0.00 C ATOM 1506 CG PRO A 102 -5.720 -15.982 9.879 1.00 0.00 C ATOM 1507 CD PRO A 102 -5.933 -16.270 8.381 1.00 0.00 C ATOM 0 HA PRO A 102 -6.515 -12.987 8.559 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.281 -14.048 10.798 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.985 -14.303 10.477 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.706 -16.242 10.183 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.399 -16.579 10.489 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.102 -16.839 7.963 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.837 -16.856 8.213 1.00 0.00 H new ATOM 1515 N THR A 103 -4.330 -11.995 8.114 1.00 0.00 N ATOM 1516 CA THR A 103 -2.993 -11.367 7.918 1.00 0.00 C ATOM 1517 C THR A 103 -2.898 -10.089 8.751 1.00 0.00 C ATOM 1518 O THR A 103 -3.725 -9.205 8.652 1.00 0.00 O ATOM 1519 CB THR A 103 -2.800 -11.033 6.422 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.443 -12.218 5.723 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.692 -9.978 6.227 1.00 0.00 C ATOM 0 H THR A 103 -5.127 -11.395 7.899 1.00 0.00 H new ATOM 0 HA THR A 103 -2.214 -12.059 8.238 1.00 0.00 H new ATOM 0 HB THR A 103 -3.735 -10.628 6.034 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.321 -12.013 4.773 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.578 -9.762 5.165 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.963 -9.064 6.756 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.751 -10.361 6.623 1.00 0.00 H new ATOM 1529 N LYS A 104 -1.868 -9.970 9.535 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.682 -8.735 10.334 1.00 0.00 C ATOM 1531 C LYS A 104 -0.564 -7.941 9.669 1.00 0.00 C ATOM 1532 O LYS A 104 0.376 -8.513 9.155 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.273 -9.092 11.767 1.00 0.00 C ATOM 1534 CG LYS A 104 -1.706 -7.974 12.718 1.00 0.00 C ATOM 1535 CD LYS A 104 -2.817 -8.484 13.637 1.00 0.00 C ATOM 1536 CE LYS A 104 -3.636 -7.300 14.152 1.00 0.00 C ATOM 1537 NZ LYS A 104 -3.257 -7.007 15.564 1.00 0.00 N ATOM 0 H LYS A 104 -1.144 -10.679 9.657 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.607 -8.159 10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.734 -10.034 12.063 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.194 -9.233 11.823 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.856 -7.637 13.311 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.058 -7.114 12.148 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.461 -9.178 13.096 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.387 -9.034 14.474 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.460 -6.424 13.528 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.700 -7.526 14.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.089 -7.121 16.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.511 -7.665 15.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.907 -6.030 15.634 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.645 -6.641 9.649 1.00 0.00 N ATOM 1552 CA VAL A 105 0.437 -5.864 8.985 1.00 0.00 C ATOM 1553 C VAL A 105 0.557 -4.474 9.596 1.00 0.00 C ATOM 1554 O VAL A 105 -0.432 -3.815 9.855 1.00 0.00 O ATOM 1555 CB VAL A 105 0.106 -5.696 7.495 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.156 -7.067 6.865 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.144 -4.813 7.319 1.00 0.00 C ATOM 0 H VAL A 105 -1.400 -6.090 10.056 1.00 0.00 H new ATOM 0 HA VAL A 105 1.373 -6.406 9.118 1.00 0.00 H new ATOM 0 HB VAL A 105 0.954 -5.219 7.003 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.390 -6.943 5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.732 -7.691 6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.996 -7.545 7.369 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.366 -4.703 6.257 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.992 -5.279 7.821 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.960 -3.831 7.754 1.00 0.00 H new ATOM 1567 N LYS A 106 1.754 -3.984 9.737 1.00 0.00 N ATOM 1568 CA LYS A 106 1.899 -2.592 10.223 1.00 0.00 C ATOM 1569 C LYS A 106 1.729 -1.759 8.964 1.00 0.00 C ATOM 1570 O LYS A 106 2.465 -1.911 8.017 1.00 0.00 O ATOM 1571 CB LYS A 106 3.268 -2.347 10.887 1.00 0.00 C ATOM 1572 CG LYS A 106 4.418 -2.816 9.990 1.00 0.00 C ATOM 1573 CD LYS A 106 4.901 -4.192 10.459 1.00 0.00 C ATOM 1574 CE LYS A 106 6.357 -4.090 10.923 1.00 0.00 C ATOM 1575 NZ LYS A 106 6.657 -5.201 11.868 1.00 0.00 N ATOM 0 H LYS A 106 2.624 -4.479 9.540 1.00 0.00 H new ATOM 0 HA LYS A 106 1.174 -2.344 10.998 1.00 0.00 H new ATOM 0 HB2 LYS A 106 3.384 -1.285 11.104 1.00 0.00 H new ATOM 0 HB3 LYS A 106 3.311 -2.873 11.841 1.00 0.00 H new ATOM 0 HG2 LYS A 106 4.087 -2.869 8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 106 5.238 -2.099 10.026 1.00 0.00 H new ATOM 0 HD2 LYS A 106 4.273 -4.552 11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 106 4.816 -4.915 9.648 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.027 -4.138 10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 106 6.528 -3.129 11.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.673 -5.203 12.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.111 -5.069 12.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.397 -6.108 11.431 1.00 0.00 H new ATOM 1589 N VAL A 107 0.712 -0.960 8.893 1.00 0.00 N ATOM 1590 CA VAL A 107 0.467 -0.214 7.635 1.00 0.00 C ATOM 1591 C VAL A 107 1.000 1.215 7.735 1.00 0.00 C ATOM 1592 O VAL A 107 1.119 1.783 8.801 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.047 -0.151 7.406 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -1.624 -1.554 7.300 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.682 0.566 8.587 1.00 0.00 C ATOM 0 H VAL A 107 0.043 -0.790 9.644 1.00 0.00 H new ATOM 0 HA VAL A 107 0.975 -0.721 6.815 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.254 0.382 6.478 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.700 -1.494 7.137 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.159 -2.076 6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.427 -2.099 8.223 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.761 0.621 8.442 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.466 0.018 9.504 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.274 1.574 8.663 1.00 0.00 H new ATOM 1605 N HIS A 108 1.284 1.799 6.611 1.00 0.00 N ATOM 1606 CA HIS A 108 1.772 3.207 6.589 1.00 0.00 C ATOM 1607 C HIS A 108 1.545 3.771 5.195 1.00 0.00 C ATOM 1608 O HIS A 108 2.248 3.440 4.270 1.00 0.00 O ATOM 1609 CB HIS A 108 3.261 3.278 6.923 1.00 0.00 C ATOM 1610 CG HIS A 108 3.628 4.723 7.121 1.00 0.00 C ATOM 1611 ND1 HIS A 108 4.935 5.180 7.047 1.00 0.00 N ATOM 1612 CD2 HIS A 108 2.858 5.826 7.390 1.00 0.00 C ATOM 1613 CE1 HIS A 108 4.912 6.508 7.269 1.00 0.00 C ATOM 1614 NE2 HIS A 108 3.670 6.952 7.483 1.00 0.00 N ATOM 0 H HIS A 108 1.199 1.360 5.694 1.00 0.00 H new ATOM 0 HA HIS A 108 1.227 3.784 7.336 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.477 2.704 7.824 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.853 2.842 6.118 1.00 0.00 H new ATOM 0 HD2 HIS A 108 1.785 5.821 7.511 1.00 0.00 H new ATOM 0 HE1 HIS A 108 5.790 7.137 7.274 1.00 0.00 H new ATOM 0 HE2 HIS A 108 3.379 7.911 7.674 1.00 0.00 H new ATOM 1622 N MET A 109 0.558 4.601 5.033 1.00 0.00 N ATOM 1623 CA MET A 109 0.267 5.165 3.676 1.00 0.00 C ATOM 1624 C MET A 109 0.616 6.658 3.649 1.00 0.00 C ATOM 1625 O MET A 109 0.442 7.344 4.638 1.00 0.00 O ATOM 1626 CB MET A 109 -1.230 5.005 3.364 1.00 0.00 C ATOM 1627 CG MET A 109 -1.816 3.785 4.100 1.00 0.00 C ATOM 1628 SD MET A 109 -3.613 3.752 3.875 1.00 0.00 S ATOM 1629 CE MET A 109 -4.006 5.136 4.973 1.00 0.00 C ATOM 0 H MET A 109 -0.064 4.918 5.777 1.00 0.00 H new ATOM 0 HA MET A 109 0.863 4.632 2.935 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.766 5.906 3.661 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.372 4.889 2.289 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.373 2.867 3.714 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.572 3.835 5.161 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.631 4.783 5.794 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.083 5.556 5.374 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.541 5.904 4.414 1.00 0.00 H new ATOM 1639 N LYS A 110 1.096 7.190 2.539 1.00 0.00 N ATOM 1640 CA LYS A 110 1.418 8.651 2.537 1.00 0.00 C ATOM 1641 C LYS A 110 0.952 9.284 1.226 1.00 0.00 C ATOM 1642 O LYS A 110 0.373 8.632 0.384 1.00 0.00 O ATOM 1643 CB LYS A 110 2.929 8.838 2.690 1.00 0.00 C ATOM 1644 CG LYS A 110 3.219 10.070 3.546 1.00 0.00 C ATOM 1645 CD LYS A 110 4.619 9.949 4.151 1.00 0.00 C ATOM 1646 CE LYS A 110 5.109 11.332 4.584 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.210 11.776 3.682 1.00 0.00 N ATOM 0 H LYS A 110 1.272 6.691 1.667 1.00 0.00 H new ATOM 0 HA LYS A 110 0.905 9.135 3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.368 7.953 3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.391 8.949 1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.150 10.973 2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.475 10.160 4.338 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.600 9.274 5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.306 9.520 3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.287 12.047 4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.461 11.298 5.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.543 12.716 3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.997 11.098 3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.860 11.824 2.704 1.00 0.00 H new ATOM 1661 N LYS A 111 1.203 10.551 1.045 1.00 0.00 N ATOM 1662 CA LYS A 111 0.781 11.218 -0.214 1.00 0.00 C ATOM 1663 C LYS A 111 1.927 11.117 -1.216 1.00 0.00 C ATOM 1664 O LYS A 111 2.882 11.864 -1.162 1.00 0.00 O ATOM 1665 CB LYS A 111 0.461 12.690 0.062 1.00 0.00 C ATOM 1666 CG LYS A 111 0.120 13.400 -1.251 1.00 0.00 C ATOM 1667 CD LYS A 111 -0.289 14.845 -0.961 1.00 0.00 C ATOM 1668 CE LYS A 111 -1.630 14.860 -0.224 1.00 0.00 C ATOM 1669 NZ LYS A 111 -2.661 15.515 -1.079 1.00 0.00 N ATOM 0 H LYS A 111 1.682 11.152 1.716 1.00 0.00 H new ATOM 0 HA LYS A 111 -0.111 10.736 -0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -0.376 12.766 0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.314 13.174 0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 111 0.980 13.382 -1.920 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.690 12.877 -1.759 1.00 0.00 H new ATOM 0 HD2 LYS A 111 0.475 15.336 -0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -0.368 15.405 -1.893 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -1.936 13.842 0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -1.532 15.395 0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -3.572 15.525 -0.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -2.370 16.491 -1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -2.761 14.986 -1.969 1.00 0.00 H new ATOM 1683 N ALA A 112 1.843 10.185 -2.126 1.00 0.00 N ATOM 1684 CA ALA A 112 2.928 10.015 -3.133 1.00 0.00 C ATOM 1685 C ALA A 112 3.293 11.372 -3.747 1.00 0.00 C ATOM 1686 O ALA A 112 2.453 12.073 -4.273 1.00 0.00 O ATOM 1687 CB ALA A 112 2.440 9.060 -4.221 1.00 0.00 C ATOM 0 H ALA A 112 1.065 9.531 -2.215 1.00 0.00 H new ATOM 0 HA ALA A 112 3.817 9.605 -2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.224 8.926 -4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.194 8.096 -3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.553 9.476 -4.699 1.00 0.00 H new ATOM 1693 N LEU A 113 4.539 11.751 -3.672 1.00 0.00 N ATOM 1694 CA LEU A 113 4.954 13.066 -4.238 1.00 0.00 C ATOM 1695 C LEU A 113 5.239 12.924 -5.735 1.00 0.00 C ATOM 1696 O LEU A 113 5.275 13.897 -6.461 1.00 0.00 O ATOM 1697 CB LEU A 113 6.214 13.556 -3.521 1.00 0.00 C ATOM 1698 CG LEU A 113 5.841 14.085 -2.134 1.00 0.00 C ATOM 1699 CD1 LEU A 113 6.676 13.366 -1.074 1.00 0.00 C ATOM 1700 CD2 LEU A 113 6.121 15.589 -2.068 1.00 0.00 C ATOM 0 H LEU A 113 5.288 11.207 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 113 4.149 13.787 -4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 113 6.933 12.742 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.694 14.342 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 113 4.782 13.904 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.411 13.742 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.478 12.295 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.735 13.548 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.855 15.966 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.180 15.770 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.527 16.103 -2.824 1.00 0.00 H new ATOM 1712 N SER A 114 5.440 11.722 -6.209 1.00 0.00 N ATOM 1713 CA SER A 114 5.718 11.531 -7.661 1.00 0.00 C ATOM 1714 C SER A 114 4.611 12.203 -8.478 1.00 0.00 C ATOM 1715 O SER A 114 4.820 12.625 -9.599 1.00 0.00 O ATOM 1716 CB SER A 114 5.753 10.037 -7.982 1.00 0.00 C ATOM 1717 OG SER A 114 7.046 9.526 -7.688 1.00 0.00 O ATOM 0 H SER A 114 5.423 10.867 -5.654 1.00 0.00 H new ATOM 0 HA SER A 114 6.681 11.977 -7.911 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.999 9.510 -7.398 1.00 0.00 H new ATOM 0 HB3 SER A 114 5.514 9.873 -9.033 1.00 0.00 H new ATOM 0 HG SER A 114 7.156 9.453 -6.717 1.00 0.00 H new ATOM 1723 N GLY A 115 3.437 12.306 -7.919 1.00 0.00 N ATOM 1724 CA GLY A 115 2.311 12.951 -8.651 1.00 0.00 C ATOM 1725 C GLY A 115 1.175 13.250 -7.670 1.00 0.00 C ATOM 1726 O GLY A 115 0.013 13.196 -8.020 1.00 0.00 O ATOM 0 H GLY A 115 3.208 11.970 -6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.650 13.872 -9.124 1.00 0.00 H new ATOM 0 HA3 GLY A 115 1.957 12.296 -9.447 1.00 0.00 H new ATOM 1730 N ASP A 116 1.500 13.561 -6.445 1.00 0.00 N ATOM 1731 CA ASP A 116 0.436 13.859 -5.444 1.00 0.00 C ATOM 1732 C ASP A 116 -0.510 12.661 -5.345 1.00 0.00 C ATOM 1733 O ASP A 116 -1.698 12.810 -5.137 1.00 0.00 O ATOM 1734 CB ASP A 116 -0.348 15.097 -5.888 1.00 0.00 C ATOM 1735 CG ASP A 116 -1.028 15.734 -4.676 1.00 0.00 C ATOM 1736 OD1 ASP A 116 -2.137 15.332 -4.364 1.00 0.00 O ATOM 1737 OD2 ASP A 116 -0.431 16.616 -4.081 1.00 0.00 O ATOM 0 H ASP A 116 2.456 13.622 -6.094 1.00 0.00 H new ATOM 0 HA ASP A 116 0.888 14.048 -4.471 1.00 0.00 H new ATOM 0 HB2 ASP A 116 0.323 15.815 -6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.094 14.820 -6.633 1.00 0.00 H new ATOM 1742 N SER A 117 0.009 11.473 -5.502 1.00 0.00 N ATOM 1743 CA SER A 117 -0.854 10.263 -5.429 1.00 0.00 C ATOM 1744 C SER A 117 -1.035 9.830 -3.969 1.00 0.00 C ATOM 1745 O SER A 117 -0.792 10.583 -3.047 1.00 0.00 O ATOM 1746 CB SER A 117 -0.199 9.131 -6.223 1.00 0.00 C ATOM 1747 OG SER A 117 -1.032 8.789 -7.322 1.00 0.00 O ATOM 0 H SER A 117 0.997 11.290 -5.678 1.00 0.00 H new ATOM 0 HA SER A 117 -1.832 10.493 -5.851 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.784 9.441 -6.579 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.047 8.262 -5.583 1.00 0.00 H new ATOM 0 HG SER A 117 -1.957 8.690 -7.013 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.473 8.618 -3.762 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.696 8.109 -2.374 1.00 0.00 C ATOM 1755 C TYR A 118 -1.214 6.660 -2.312 1.00 0.00 C ATOM 1756 O TYR A 118 -1.782 5.797 -2.952 1.00 0.00 O ATOM 1757 CB TYR A 118 -3.201 8.147 -2.068 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.770 9.457 -2.519 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.532 10.622 -1.788 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.533 9.496 -3.683 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -4.066 11.834 -2.228 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -5.066 10.700 -4.125 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.835 11.877 -3.400 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.365 13.074 -3.839 1.00 0.00 O ATOM 0 H TYR A 118 -1.689 7.950 -4.502 1.00 0.00 H new ATOM 0 HA TYR A 118 -1.156 8.721 -1.652 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.707 7.325 -2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.369 8.014 -0.999 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.938 10.586 -0.887 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.710 8.589 -4.243 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.887 12.739 -1.666 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.659 10.729 -5.027 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.916 13.817 -3.385 1.00 0.00 H new ATOM 1774 N TRP A 119 -0.172 6.371 -1.569 1.00 0.00 N ATOM 1775 CA TRP A 119 0.298 4.962 -1.523 1.00 0.00 C ATOM 1776 C TRP A 119 0.145 4.345 -0.136 1.00 0.00 C ATOM 1777 O TRP A 119 0.332 4.975 0.876 1.00 0.00 O ATOM 1778 CB TRP A 119 1.733 4.833 -2.063 1.00 0.00 C ATOM 1779 CG TRP A 119 2.682 5.811 -1.454 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.259 6.853 -2.084 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.227 5.793 -0.132 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.114 7.493 -1.205 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.130 6.866 0.017 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.010 4.951 0.933 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 4.804 7.083 1.213 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.684 5.152 2.148 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.584 6.216 2.283 1.00 0.00 C ATOM 0 H TRP A 119 0.359 7.036 -1.007 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.349 4.385 -2.184 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.095 3.822 -1.877 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.721 4.973 -3.144 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.082 7.142 -3.110 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.661 8.323 -1.434 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.316 4.129 0.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.489 7.912 1.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.508 4.485 2.979 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.108 6.365 3.216 1.00 0.00 H new ATOM 1798 N VAL A 120 -0.229 3.091 -0.115 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.437 2.358 1.164 1.00 0.00 C ATOM 1800 C VAL A 120 0.617 1.250 1.277 1.00 0.00 C ATOM 1801 O VAL A 120 0.640 0.327 0.485 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.839 1.721 1.151 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -2.078 0.963 2.458 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.903 2.810 0.990 1.00 0.00 C ATOM 0 H VAL A 120 -0.402 2.535 -0.952 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.348 3.042 2.008 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.904 1.026 0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.071 0.515 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -1.328 0.179 2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -2.005 1.654 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.893 2.353 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.834 3.512 1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.741 3.342 0.052 1.00 0.00 H new ATOM 1814 N PHE A 121 1.484 1.322 2.252 1.00 0.00 N ATOM 1815 CA PHE A 121 2.516 0.254 2.399 1.00 0.00 C ATOM 1816 C PHE A 121 2.070 -0.730 3.461 1.00 0.00 C ATOM 1817 O PHE A 121 1.762 -0.350 4.571 1.00 0.00 O ATOM 1818 CB PHE A 121 3.880 0.839 2.827 1.00 0.00 C ATOM 1819 CG PHE A 121 4.386 1.836 1.798 1.00 0.00 C ATOM 1820 CD1 PHE A 121 3.889 1.824 0.484 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.362 2.771 2.162 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.365 2.743 -0.455 1.00 0.00 C ATOM 1823 CE2 PHE A 121 5.841 3.687 1.218 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.340 3.672 -0.089 1.00 0.00 C ATOM 0 H PHE A 121 1.523 2.067 2.947 1.00 0.00 H new ATOM 0 HA PHE A 121 2.629 -0.235 1.432 1.00 0.00 H new ATOM 0 HB2 PHE A 121 3.783 1.328 3.797 1.00 0.00 H new ATOM 0 HB3 PHE A 121 4.605 0.034 2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.137 1.103 0.199 1.00 0.00 H new ATOM 0 HD2 PHE A 121 5.746 2.786 3.171 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.979 2.734 -1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.597 4.405 1.498 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.709 4.381 -0.816 1.00 0.00 H new ATOM 1834 N VAL A 122 2.055 -1.990 3.154 1.00 0.00 N ATOM 1835 CA VAL A 122 1.659 -2.971 4.182 1.00 0.00 C ATOM 1836 C VAL A 122 2.844 -3.881 4.483 1.00 0.00 C ATOM 1837 O VAL A 122 3.261 -4.682 3.673 1.00 0.00 O ATOM 1838 CB VAL A 122 0.435 -3.771 3.697 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.441 -5.215 4.233 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.812 -3.065 4.208 1.00 0.00 C ATOM 0 H VAL A 122 2.298 -2.378 2.243 1.00 0.00 H new ATOM 0 HA VAL A 122 1.375 -2.461 5.102 1.00 0.00 H new ATOM 0 HB VAL A 122 0.458 -3.821 2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.439 -5.743 3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.340 -5.727 3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.427 -5.199 5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.698 -3.609 3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.790 -3.030 5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.843 -2.050 3.813 1.00 0.00 H new ATOM 1850 N LYS A 123 3.357 -3.777 5.662 1.00 0.00 N ATOM 1851 CA LYS A 123 4.498 -4.655 6.044 1.00 0.00 C ATOM 1852 C LYS A 123 3.943 -5.852 6.806 1.00 0.00 C ATOM 1853 O LYS A 123 3.295 -5.697 7.820 1.00 0.00 O ATOM 1854 CB LYS A 123 5.469 -3.882 6.932 1.00 0.00 C ATOM 1855 CG LYS A 123 6.896 -4.372 6.690 1.00 0.00 C ATOM 1856 CD LYS A 123 7.838 -3.174 6.762 1.00 0.00 C ATOM 1857 CE LYS A 123 9.285 -3.646 6.905 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.452 -4.367 8.201 1.00 0.00 N ATOM 0 H LYS A 123 3.043 -3.127 6.383 1.00 0.00 H new ATOM 0 HA LYS A 123 5.031 -4.990 5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.400 -2.815 6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 123 5.202 -4.015 7.980 1.00 0.00 H new ATOM 0 HG2 LYS A 123 7.172 -5.117 7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.971 -4.855 5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.734 -2.566 5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 123 7.569 -2.541 7.608 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.547 -4.303 6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.962 -2.793 6.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.439 -4.287 8.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.824 -3.947 8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.210 -5.370 8.074 1.00 0.00 H new ATOM 1872 N ARG A 124 4.166 -7.046 6.326 1.00 0.00 N ATOM 1873 CA ARG A 124 3.608 -8.224 7.052 1.00 0.00 C ATOM 1874 C ARG A 124 4.276 -8.350 8.419 1.00 0.00 C ATOM 1875 O ARG A 124 5.478 -8.479 8.529 1.00 0.00 O ATOM 1876 CB ARG A 124 3.841 -9.499 6.239 1.00 0.00 C ATOM 1877 CG ARG A 124 3.001 -10.635 6.828 1.00 0.00 C ATOM 1878 CD ARG A 124 2.921 -11.787 5.824 1.00 0.00 C ATOM 1879 NE ARG A 124 3.492 -13.019 6.435 1.00 0.00 N ATOM 1880 CZ ARG A 124 4.018 -13.943 5.678 1.00 0.00 C ATOM 1881 NH1 ARG A 124 5.197 -13.759 5.148 1.00 0.00 N ATOM 1882 NH2 ARG A 124 3.368 -15.052 5.451 1.00 0.00 N ATOM 0 H ARG A 124 4.698 -7.255 5.481 1.00 0.00 H new ATOM 0 HA ARG A 124 2.536 -8.083 7.188 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.570 -9.334 5.196 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.898 -9.766 6.255 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.444 -10.983 7.761 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.000 -10.275 7.065 1.00 0.00 H new ATOM 0 HD2 ARG A 124 1.885 -11.959 5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.468 -11.531 4.917 1.00 0.00 H new ATOM 0 HE ARG A 124 3.472 -13.141 7.447 1.00 0.00 H new ATOM 0 HH11 ARG A 124 5.707 -12.893 5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 124 5.608 -14.481 4.556 1.00 0.00 H new ATOM 0 HH21 ARG A 124 2.447 -15.198 5.865 1.00 0.00 H new ATOM 0 HH22 ARG A 124 3.781 -15.773 4.859 1.00 0.00 H new ATOM 1896 N VAL A 125 3.494 -8.310 9.465 1.00 0.00 N ATOM 1897 CA VAL A 125 4.068 -8.422 10.836 1.00 0.00 C ATOM 1898 C VAL A 125 4.247 -9.901 11.187 1.00 0.00 C ATOM 1899 O VAL A 125 3.767 -10.731 10.432 1.00 0.00 O ATOM 1900 CB VAL A 125 3.135 -7.767 11.873 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.978 -7.115 12.957 1.00 0.00 C ATOM 1902 CG2 VAL A 125 2.274 -6.680 11.231 1.00 0.00 C ATOM 1903 OXT VAL A 125 4.861 -10.179 12.204 1.00 0.00 O ATOM 0 H VAL A 125 2.480 -8.204 9.428 1.00 0.00 H new ATOM 0 HA VAL A 125 5.030 -7.909 10.855 1.00 0.00 H new ATOM 0 HB VAL A 125 2.489 -8.542 12.285 1.00 0.00 H new ATOM 0 HG11 VAL A 125 3.325 -6.649 13.695 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.594 -7.872 13.444 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.621 -6.356 12.511 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.626 -6.236 11.986 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.918 -5.910 10.806 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.663 -7.118 10.442 1.00 0.00 H new TER 1913 VAL A 125 HETATM 1914 C1 HC4 A 126 -8.715 -5.907 3.301 1.00 0.00 C HETATM 1915 O1 HC4 A 126 -9.496 -6.757 2.922 1.00 0.00 O HETATM 1916 C2 HC4 A 126 -7.362 -5.654 2.683 1.00 0.00 C HETATM 1917 C3 HC4 A 126 -6.989 -6.391 1.669 1.00 0.00 C HETATM 1918 C1' HC4 A 126 -5.630 -6.219 1.054 1.00 0.00 C HETATM 1919 C2' HC4 A 126 -5.257 -7.045 -0.019 1.00 0.00 C HETATM 1920 C3' HC4 A 126 -3.978 -6.910 -0.584 1.00 0.00 C HETATM 1921 C4' HC4 A 126 -3.083 -5.946 -0.074 1.00 0.00 C HETATM 1922 C5' HC4 A 126 -3.463 -5.115 0.992 1.00 0.00 C HETATM 1923 C6' HC4 A 126 -4.737 -5.253 1.561 1.00 0.00 C HETATM 1924 O4' HC4 A 126 -1.976 -5.822 -0.562 1.00 0.00 O HETATM 0 H6' HC4 A 126 -5.036 -4.615 2.393 1.00 0.00 H new HETATM 0 H5' HC4 A 126 -2.771 -4.366 1.376 1.00 0.00 H new HETATM 0 H3' HC4 A 126 -3.678 -7.549 -1.415 1.00 0.00 H new HETATM 0 H3 HC4 A 126 -7.672 -7.138 1.266 1.00 0.00 H new HETATM 0 H2' HC4 A 126 -5.955 -7.785 -0.410 1.00 0.00 H new HETATM 0 H2 HC4 A 126 -6.709 -4.873 3.073 1.00 0.00 H new