USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 LYS NZ :NH3+ -179:sc= 0 (180deg=0) USER MOD Set 1.2: A 77 LYS NZ :NH3+ 149:sc= -0.0337 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 145:sc= 0.0244 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0175 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0205 X(o=-0.021,f=-0.081) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0959 USER MOD Single : A 13 THR OG1 : rot -160:sc= -0.0836 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -66:sc= 1.12 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.017) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot 92:sc= 1.04 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.211 USER MOD Single : A 39 GLN : amide:sc= -0.0263 X(o=-0.026,f=0) USER MOD Single : A 44 MET CE :methyl 180:sc= -2.12! (180deg=-2.12!) USER MOD Single : A 47 GLN : amide:sc= -0.452 K(o=-0.45,f=-3.1!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 56:sc= -1.26 USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= 0.0325 (180deg=-0.00588) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 93:sc= 0.00397 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -85:sc= 1.23 USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 MET CE :methyl -157:sc= 0 (180deg=-0.00427) USER MOD Single : A 74 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.57) USER MOD Single : A 78 TYR OH : rot -64:sc= 0.569 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.967 F(o=-1.5,f=-0.97) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.998 26.794 4.013 1.00 0.00 N ATOM 2 CA GLY A 1 -17.114 26.178 4.710 1.00 0.00 C ATOM 3 C GLY A 1 -18.448 26.743 4.216 1.00 0.00 C ATOM 4 O GLY A 1 -18.550 27.932 3.917 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.194 26.894 4.665 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.719 26.197 3.209 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.281 27.733 3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.093 25.099 4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.017 26.349 5.782 1.00 0.00 H new ATOM 8 N SER A 2 -19.437 25.864 4.146 1.00 0.00 N ATOM 9 CA SER A 2 -20.759 26.261 3.693 1.00 0.00 C ATOM 10 C SER A 2 -21.573 26.806 4.869 1.00 0.00 C ATOM 11 O SER A 2 -22.029 27.948 4.835 1.00 0.00 O ATOM 12 CB SER A 2 -21.493 25.087 3.040 1.00 0.00 C ATOM 13 OG SER A 2 -22.787 25.459 2.575 1.00 0.00 O ATOM 0 H SER A 2 -19.349 24.879 4.395 1.00 0.00 H new ATOM 0 HA SER A 2 -20.643 27.045 2.944 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.902 24.709 2.205 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.586 24.273 3.759 1.00 0.00 H new ATOM 0 HG SER A 2 -23.222 24.683 2.163 1.00 0.00 H new ATOM 19 N SER A 3 -21.728 25.965 5.880 1.00 0.00 N ATOM 20 CA SER A 3 -22.479 26.349 7.064 1.00 0.00 C ATOM 21 C SER A 3 -22.192 25.371 8.205 1.00 0.00 C ATOM 22 O SER A 3 -21.733 25.775 9.273 1.00 0.00 O ATOM 23 CB SER A 3 -23.980 26.399 6.773 1.00 0.00 C ATOM 24 OG SER A 3 -24.439 25.210 6.135 1.00 0.00 O ATOM 0 H SER A 3 -21.347 25.019 5.905 1.00 0.00 H new ATOM 0 HA SER A 3 -22.161 27.348 7.361 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.526 26.544 7.705 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.198 27.258 6.139 1.00 0.00 H new ATOM 0 HG SER A 3 -25.402 25.280 5.967 1.00 0.00 H new ATOM 30 N GLY A 4 -22.474 24.104 7.941 1.00 0.00 N ATOM 31 CA GLY A 4 -22.251 23.065 8.933 1.00 0.00 C ATOM 32 C GLY A 4 -23.040 21.801 8.589 1.00 0.00 C ATOM 33 O GLY A 4 -24.202 21.878 8.193 1.00 0.00 O ATOM 0 H GLY A 4 -22.855 23.773 7.055 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.188 22.831 8.987 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.548 23.427 9.917 1.00 0.00 H new ATOM 37 N SER A 5 -22.377 20.665 8.752 1.00 0.00 N ATOM 38 CA SER A 5 -23.002 19.385 8.464 1.00 0.00 C ATOM 39 C SER A 5 -23.844 19.489 7.190 1.00 0.00 C ATOM 40 O SER A 5 -25.068 19.593 7.258 1.00 0.00 O ATOM 41 CB SER A 5 -23.868 18.918 9.636 1.00 0.00 C ATOM 42 OG SER A 5 -23.086 18.604 10.785 1.00 0.00 O ATOM 0 H SER A 5 -21.413 20.605 9.080 1.00 0.00 H new ATOM 0 HA SER A 5 -22.215 18.646 8.313 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.587 19.697 9.889 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.441 18.040 9.336 1.00 0.00 H new ATOM 0 HG SER A 5 -23.675 18.312 11.512 1.00 0.00 H new ATOM 48 N SER A 6 -23.155 19.458 6.059 1.00 0.00 N ATOM 49 CA SER A 6 -23.824 19.547 4.773 1.00 0.00 C ATOM 50 C SER A 6 -23.409 18.372 3.885 1.00 0.00 C ATOM 51 O SER A 6 -22.511 17.610 4.237 1.00 0.00 O ATOM 52 CB SER A 6 -23.509 20.874 4.079 1.00 0.00 C ATOM 53 OG SER A 6 -24.690 21.544 3.647 1.00 0.00 O ATOM 0 H SER A 6 -22.140 19.372 6.007 1.00 0.00 H new ATOM 0 HA SER A 6 -24.900 19.503 4.943 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.956 21.518 4.763 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.862 20.690 3.221 1.00 0.00 H new ATOM 0 HG SER A 6 -24.447 22.387 3.211 1.00 0.00 H new ATOM 59 N GLY A 7 -24.084 18.263 2.749 1.00 0.00 N ATOM 60 CA GLY A 7 -23.797 17.194 1.808 1.00 0.00 C ATOM 61 C GLY A 7 -22.318 17.190 1.417 1.00 0.00 C ATOM 62 O GLY A 7 -21.897 17.964 0.558 1.00 0.00 O ATOM 0 H GLY A 7 -24.828 18.898 2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.062 16.234 2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.412 17.315 0.916 1.00 0.00 H new ATOM 66 N GLN A 8 -21.569 16.311 2.066 1.00 0.00 N ATOM 67 CA GLN A 8 -20.146 16.196 1.796 1.00 0.00 C ATOM 68 C GLN A 8 -19.899 16.063 0.292 1.00 0.00 C ATOM 69 O GLN A 8 -20.254 15.052 -0.312 1.00 0.00 O ATOM 70 CB GLN A 8 -19.537 15.017 2.558 1.00 0.00 C ATOM 71 CG GLN A 8 -20.115 13.689 2.067 1.00 0.00 C ATOM 72 CD GLN A 8 -20.210 12.676 3.209 1.00 0.00 C ATOM 73 OE1 GLN A 8 -20.859 12.898 4.218 1.00 0.00 O ATOM 74 NE2 GLN A 8 -19.528 11.554 2.996 1.00 0.00 N ATOM 0 H GLN A 8 -21.921 15.671 2.778 1.00 0.00 H new ATOM 0 HA GLN A 8 -19.656 17.105 2.145 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -18.455 15.016 2.429 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -19.731 15.130 3.625 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -21.104 13.855 1.640 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -19.488 13.287 1.271 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -19.005 11.432 2.129 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -19.528 10.816 3.700 1.00 0.00 H new ATOM 83 N ASP A 9 -19.293 17.098 -0.269 1.00 0.00 N ATOM 84 CA ASP A 9 -18.994 17.110 -1.691 1.00 0.00 C ATOM 85 C ASP A 9 -17.966 18.204 -1.984 1.00 0.00 C ATOM 86 O ASP A 9 -18.203 19.077 -2.817 1.00 0.00 O ATOM 87 CB ASP A 9 -20.249 17.408 -2.515 1.00 0.00 C ATOM 88 CG ASP A 9 -21.373 16.379 -2.377 1.00 0.00 C ATOM 89 OD1 ASP A 9 -21.094 15.193 -2.657 1.00 0.00 O ATOM 90 OD2 ASP A 9 -22.485 16.802 -1.995 1.00 0.00 O ATOM 0 H ASP A 9 -19.001 17.935 0.235 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.609 16.127 -1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -20.634 18.385 -2.223 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -19.967 17.477 -3.566 1.00 0.00 H new ATOM 95 N SER A 10 -16.846 18.122 -1.281 1.00 0.00 N ATOM 96 CA SER A 10 -15.780 19.094 -1.455 1.00 0.00 C ATOM 97 C SER A 10 -14.620 18.467 -2.231 1.00 0.00 C ATOM 98 O SER A 10 -14.715 17.326 -2.680 1.00 0.00 O ATOM 99 CB SER A 10 -15.291 19.622 -0.104 1.00 0.00 C ATOM 100 OG SER A 10 -15.412 21.039 -0.009 1.00 0.00 O ATOM 0 H SER A 10 -16.654 17.397 -0.590 1.00 0.00 H new ATOM 0 HA SER A 10 -16.175 19.936 -2.023 1.00 0.00 H new ATOM 0 HB2 SER A 10 -15.864 19.155 0.697 1.00 0.00 H new ATOM 0 HB3 SER A 10 -14.249 19.337 0.041 1.00 0.00 H new ATOM 0 HG SER A 10 -15.091 21.337 0.868 1.00 0.00 H new ATOM 106 N ASP A 11 -13.553 19.241 -2.365 1.00 0.00 N ATOM 107 CA ASP A 11 -12.377 18.775 -3.079 1.00 0.00 C ATOM 108 C ASP A 11 -11.584 17.823 -2.182 1.00 0.00 C ATOM 109 O ASP A 11 -11.444 16.642 -2.494 1.00 0.00 O ATOM 110 CB ASP A 11 -11.462 19.943 -3.455 1.00 0.00 C ATOM 111 CG ASP A 11 -10.442 19.638 -4.554 1.00 0.00 C ATOM 112 OD1 ASP A 11 -10.826 18.916 -5.500 1.00 0.00 O ATOM 113 OD2 ASP A 11 -9.302 20.134 -4.424 1.00 0.00 O ATOM 0 H ASP A 11 -13.479 20.187 -1.991 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.711 18.272 -3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.081 20.781 -3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.926 20.267 -2.563 1.00 0.00 H new ATOM 118 N SER A 12 -11.085 18.374 -1.084 1.00 0.00 N ATOM 119 CA SER A 12 -10.309 17.589 -0.139 1.00 0.00 C ATOM 120 C SER A 12 -11.204 16.544 0.531 1.00 0.00 C ATOM 121 O SER A 12 -10.752 15.442 0.842 1.00 0.00 O ATOM 122 CB SER A 12 -9.657 18.484 0.916 1.00 0.00 C ATOM 123 OG SER A 12 -9.765 19.866 0.584 1.00 0.00 O ATOM 0 H SER A 12 -11.203 19.354 -0.828 1.00 0.00 H new ATOM 0 HA SER A 12 -9.515 17.081 -0.686 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.127 18.306 1.883 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.605 18.217 1.018 1.00 0.00 H new ATOM 0 HG SER A 12 -9.338 20.405 1.283 1.00 0.00 H new ATOM 129 N THR A 13 -12.456 16.926 0.734 1.00 0.00 N ATOM 130 CA THR A 13 -13.418 16.036 1.362 1.00 0.00 C ATOM 131 C THR A 13 -13.321 14.634 0.756 1.00 0.00 C ATOM 132 O THR A 13 -13.044 13.666 1.463 1.00 0.00 O ATOM 133 CB THR A 13 -14.806 16.664 1.221 1.00 0.00 C ATOM 134 OG1 THR A 13 -14.894 17.562 2.324 1.00 0.00 O ATOM 135 CG2 THR A 13 -15.932 15.658 1.469 1.00 0.00 C ATOM 0 H THR A 13 -12.827 17.840 0.475 1.00 0.00 H new ATOM 0 HA THR A 13 -13.208 15.913 2.424 1.00 0.00 H new ATOM 0 HB THR A 13 -14.912 17.089 0.223 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.835 17.769 2.503 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.895 16.155 1.356 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.858 14.844 0.748 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.846 15.258 2.479 1.00 0.00 H new ATOM 143 N ALA A 14 -13.556 14.569 -0.546 1.00 0.00 N ATOM 144 CA ALA A 14 -13.499 13.302 -1.255 1.00 0.00 C ATOM 145 C ALA A 14 -12.316 12.484 -0.734 1.00 0.00 C ATOM 146 O ALA A 14 -12.417 11.268 -0.580 1.00 0.00 O ATOM 147 CB ALA A 14 -13.410 13.563 -2.760 1.00 0.00 C ATOM 0 H ALA A 14 -13.786 15.374 -1.129 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.404 12.722 -1.078 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.367 12.613 -3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.288 14.122 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.512 14.141 -2.977 1.00 0.00 H new ATOM 153 N ALA A 15 -11.220 13.184 -0.477 1.00 0.00 N ATOM 154 CA ALA A 15 -10.019 12.538 0.024 1.00 0.00 C ATOM 155 C ALA A 15 -10.290 11.983 1.423 1.00 0.00 C ATOM 156 O ALA A 15 -10.054 10.804 1.683 1.00 0.00 O ATOM 157 CB ALA A 15 -8.858 13.534 0.006 1.00 0.00 C ATOM 0 H ALA A 15 -11.139 14.192 -0.607 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.739 11.700 -0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.957 13.049 0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.687 13.875 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.101 14.388 0.638 1.00 0.00 H new ATOM 163 N VAL A 16 -10.781 12.858 2.288 1.00 0.00 N ATOM 164 CA VAL A 16 -11.087 12.470 3.654 1.00 0.00 C ATOM 165 C VAL A 16 -11.929 11.193 3.641 1.00 0.00 C ATOM 166 O VAL A 16 -11.724 10.301 4.463 1.00 0.00 O ATOM 167 CB VAL A 16 -11.767 13.627 4.387 1.00 0.00 C ATOM 168 CG1 VAL A 16 -11.960 13.300 5.870 1.00 0.00 C ATOM 169 CG2 VAL A 16 -10.980 14.927 4.210 1.00 0.00 C ATOM 0 H VAL A 16 -10.975 13.835 2.069 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.171 12.249 4.202 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.753 13.770 3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.446 14.140 6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.582 12.411 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.990 13.117 6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.485 15.734 4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.975 14.801 4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.918 15.174 3.150 1.00 0.00 H new ATOM 179 N ALA A 17 -12.859 11.145 2.699 1.00 0.00 N ATOM 180 CA ALA A 17 -13.733 9.992 2.568 1.00 0.00 C ATOM 181 C ALA A 17 -12.938 8.817 1.995 1.00 0.00 C ATOM 182 O ALA A 17 -12.823 7.771 2.633 1.00 0.00 O ATOM 183 CB ALA A 17 -14.937 10.360 1.698 1.00 0.00 C ATOM 0 H ALA A 17 -13.026 11.886 2.019 1.00 0.00 H new ATOM 0 HA ALA A 17 -14.115 9.688 3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.593 9.495 1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.485 11.180 2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.592 10.668 0.711 1.00 0.00 H new ATOM 189 N VAL A 18 -12.409 9.028 0.799 1.00 0.00 N ATOM 190 CA VAL A 18 -11.627 7.999 0.134 1.00 0.00 C ATOM 191 C VAL A 18 -10.584 7.448 1.108 1.00 0.00 C ATOM 192 O VAL A 18 -10.229 6.272 1.042 1.00 0.00 O ATOM 193 CB VAL A 18 -11.010 8.559 -1.149 1.00 0.00 C ATOM 194 CG1 VAL A 18 -9.572 9.023 -0.909 1.00 0.00 C ATOM 195 CG2 VAL A 18 -11.073 7.531 -2.281 1.00 0.00 C ATOM 0 H VAL A 18 -12.506 9.896 0.273 1.00 0.00 H new ATOM 0 HA VAL A 18 -12.265 7.167 -0.164 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.596 9.427 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.157 9.417 -1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.564 9.803 -0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.969 8.180 -0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.628 7.954 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.523 6.636 -1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.113 7.270 -2.478 1.00 0.00 H new ATOM 205 N LEU A 19 -10.123 8.323 1.989 1.00 0.00 N ATOM 206 CA LEU A 19 -9.128 7.938 2.975 1.00 0.00 C ATOM 207 C LEU A 19 -9.801 7.126 4.083 1.00 0.00 C ATOM 208 O LEU A 19 -9.244 6.139 4.562 1.00 0.00 O ATOM 209 CB LEU A 19 -8.375 9.168 3.485 1.00 0.00 C ATOM 210 CG LEU A 19 -7.404 9.818 2.497 1.00 0.00 C ATOM 211 CD1 LEU A 19 -6.775 11.078 3.095 1.00 0.00 C ATOM 212 CD2 LEU A 19 -6.347 8.817 2.027 1.00 0.00 C ATOM 0 H LEU A 19 -10.420 9.297 2.041 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.373 7.295 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.106 9.916 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.818 8.884 4.378 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.968 10.126 1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.089 11.520 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.559 11.796 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.228 10.817 4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.670 9.305 1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.781 8.455 2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.836 7.976 1.534 1.00 0.00 H new ATOM 224 N LYS A 20 -10.991 7.571 4.459 1.00 0.00 N ATOM 225 CA LYS A 20 -11.747 6.898 5.502 1.00 0.00 C ATOM 226 C LYS A 20 -12.098 5.483 5.039 1.00 0.00 C ATOM 227 O LYS A 20 -11.935 4.522 5.790 1.00 0.00 O ATOM 228 CB LYS A 20 -12.964 7.733 5.905 1.00 0.00 C ATOM 229 CG LYS A 20 -13.170 7.707 7.421 1.00 0.00 C ATOM 230 CD LYS A 20 -12.912 9.085 8.032 1.00 0.00 C ATOM 231 CE LYS A 20 -12.209 8.962 9.386 1.00 0.00 C ATOM 232 NZ LYS A 20 -10.771 9.287 9.254 1.00 0.00 N ATOM 0 H LYS A 20 -11.450 8.390 4.060 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.145 6.798 6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.831 8.762 5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.854 7.349 5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.188 7.389 7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.499 6.974 7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.300 9.679 7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.857 9.615 8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.675 9.634 10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.325 7.949 9.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.309 9.199 10.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.327 8.630 8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.666 10.261 8.906 1.00 0.00 H new ATOM 246 N ARG A 21 -12.573 5.398 3.805 1.00 0.00 N ATOM 247 CA ARG A 21 -12.948 4.117 3.233 1.00 0.00 C ATOM 248 C ARG A 21 -11.730 3.193 3.157 1.00 0.00 C ATOM 249 O ARG A 21 -11.774 2.061 3.636 1.00 0.00 O ATOM 250 CB ARG A 21 -13.537 4.290 1.832 1.00 0.00 C ATOM 251 CG ARG A 21 -15.038 4.578 1.900 1.00 0.00 C ATOM 252 CD ARG A 21 -15.819 3.326 2.306 1.00 0.00 C ATOM 253 NE ARG A 21 -17.200 3.693 2.691 1.00 0.00 N ATOM 254 CZ ARG A 21 -18.198 2.812 2.837 1.00 0.00 C ATOM 255 NH1 ARG A 21 -17.976 1.507 2.632 1.00 0.00 N ATOM 256 NH2 ARG A 21 -19.420 3.236 3.189 1.00 0.00 N ATOM 0 H ARG A 21 -12.707 6.197 3.185 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.705 3.674 3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.029 5.107 1.318 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.362 3.388 1.246 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.226 5.377 2.617 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.388 4.931 0.930 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.840 2.616 1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.320 2.830 3.139 1.00 0.00 H new ATOM 0 HE ARG A 21 -17.405 4.679 2.855 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.046 1.184 2.365 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.737 0.837 2.743 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.590 4.230 3.346 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.180 2.565 3.300 1.00 0.00 H new ATOM 270 N ALA A 22 -10.672 3.711 2.550 1.00 0.00 N ATOM 271 CA ALA A 22 -9.445 2.947 2.405 1.00 0.00 C ATOM 272 C ALA A 22 -9.124 2.249 3.728 1.00 0.00 C ATOM 273 O ALA A 22 -9.021 1.024 3.779 1.00 0.00 O ATOM 274 CB ALA A 22 -8.317 3.874 1.946 1.00 0.00 C ATOM 0 H ALA A 22 -10.639 4.650 2.153 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.562 2.175 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.396 3.301 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.581 4.322 0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.169 4.661 2.686 1.00 0.00 H new ATOM 280 N VAL A 23 -8.974 3.058 4.766 1.00 0.00 N ATOM 281 CA VAL A 23 -8.667 2.533 6.086 1.00 0.00 C ATOM 282 C VAL A 23 -9.505 1.279 6.339 1.00 0.00 C ATOM 283 O VAL A 23 -8.964 0.221 6.657 1.00 0.00 O ATOM 284 CB VAL A 23 -8.881 3.619 7.143 1.00 0.00 C ATOM 285 CG1 VAL A 23 -9.184 3.000 8.509 1.00 0.00 C ATOM 286 CG2 VAL A 23 -7.672 4.554 7.220 1.00 0.00 C ATOM 0 H VAL A 23 -9.059 4.073 4.720 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.619 2.241 6.147 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.745 4.213 6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.332 3.792 9.243 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.088 2.394 8.442 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.348 2.372 8.817 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.849 5.317 7.978 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.784 3.980 7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.520 5.033 6.253 1.00 0.00 H new ATOM 296 N GLU A 24 -10.811 1.438 6.188 1.00 0.00 N ATOM 297 CA GLU A 24 -11.729 0.331 6.396 1.00 0.00 C ATOM 298 C GLU A 24 -11.271 -0.895 5.604 1.00 0.00 C ATOM 299 O GLU A 24 -10.957 -1.932 6.185 1.00 0.00 O ATOM 300 CB GLU A 24 -13.158 0.726 6.019 1.00 0.00 C ATOM 301 CG GLU A 24 -13.659 1.876 6.894 1.00 0.00 C ATOM 302 CD GLU A 24 -13.742 1.452 8.362 1.00 0.00 C ATOM 303 OE1 GLU A 24 -12.668 1.403 9.000 1.00 0.00 O ATOM 304 OE2 GLU A 24 -14.877 1.187 8.813 1.00 0.00 O ATOM 0 H GLU A 24 -11.256 2.317 5.924 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.726 0.076 7.456 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.193 1.021 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.818 -0.134 6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.990 2.731 6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.641 2.199 6.549 1.00 0.00 H new ATOM 311 N LEU A 25 -11.247 -0.734 4.289 1.00 0.00 N ATOM 312 CA LEU A 25 -10.832 -1.815 3.411 1.00 0.00 C ATOM 313 C LEU A 25 -9.546 -2.442 3.953 1.00 0.00 C ATOM 314 O LEU A 25 -9.425 -3.665 4.013 1.00 0.00 O ATOM 315 CB LEU A 25 -10.713 -1.318 1.969 1.00 0.00 C ATOM 316 CG LEU A 25 -12.031 -1.017 1.252 1.00 0.00 C ATOM 317 CD1 LEU A 25 -11.807 -0.081 0.063 1.00 0.00 C ATOM 318 CD2 LEU A 25 -12.738 -2.309 0.839 1.00 0.00 C ATOM 0 H LEU A 25 -11.508 0.128 3.811 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.587 -2.601 3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.106 -0.413 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.171 -2.067 1.391 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.689 -0.499 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.759 0.117 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.378 0.858 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.123 -0.549 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.672 -2.067 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.096 -2.876 0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.951 -2.906 1.725 1.00 0.00 H new ATOM 330 N ASP A 26 -8.619 -1.577 4.335 1.00 0.00 N ATOM 331 CA ASP A 26 -7.346 -2.031 4.870 1.00 0.00 C ATOM 332 C ASP A 26 -7.600 -2.943 6.072 1.00 0.00 C ATOM 333 O ASP A 26 -6.885 -3.923 6.274 1.00 0.00 O ATOM 334 CB ASP A 26 -6.496 -0.850 5.344 1.00 0.00 C ATOM 335 CG ASP A 26 -5.073 -0.812 4.782 1.00 0.00 C ATOM 336 OD1 ASP A 26 -4.949 -0.933 3.544 1.00 0.00 O ATOM 337 OD2 ASP A 26 -4.142 -0.662 5.602 1.00 0.00 O ATOM 0 H ASP A 26 -8.723 -0.564 4.285 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.817 -2.562 4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.003 0.076 5.072 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.440 -0.875 6.432 1.00 0.00 H new ATOM 342 N ALA A 27 -8.620 -2.588 6.839 1.00 0.00 N ATOM 343 CA ALA A 27 -8.977 -3.362 8.016 1.00 0.00 C ATOM 344 C ALA A 27 -9.712 -4.632 7.581 1.00 0.00 C ATOM 345 O ALA A 27 -9.692 -5.638 8.290 1.00 0.00 O ATOM 346 CB ALA A 27 -9.815 -2.498 8.961 1.00 0.00 C ATOM 0 H ALA A 27 -9.211 -1.774 6.668 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.083 -3.667 8.560 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.083 -3.079 9.844 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.238 -1.624 9.263 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.722 -2.175 8.450 1.00 0.00 H new ATOM 352 N GLU A 28 -10.342 -4.545 6.420 1.00 0.00 N ATOM 353 CA GLU A 28 -11.082 -5.674 5.883 1.00 0.00 C ATOM 354 C GLU A 28 -10.136 -6.627 5.148 1.00 0.00 C ATOM 355 O GLU A 28 -10.564 -7.663 4.641 1.00 0.00 O ATOM 356 CB GLU A 28 -12.210 -5.204 4.962 1.00 0.00 C ATOM 357 CG GLU A 28 -13.244 -4.384 5.737 1.00 0.00 C ATOM 358 CD GLU A 28 -14.510 -5.202 5.997 1.00 0.00 C ATOM 359 OE1 GLU A 28 -14.832 -6.041 5.128 1.00 0.00 O ATOM 360 OE2 GLU A 28 -15.127 -4.972 7.059 1.00 0.00 O ATOM 0 H GLU A 28 -10.356 -3.709 5.835 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.537 -6.213 6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.797 -4.603 4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.694 -6.067 4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.817 -4.057 6.685 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.497 -3.485 5.174 1.00 0.00 H new ATOM 367 N SER A 29 -8.869 -6.242 5.114 1.00 0.00 N ATOM 368 CA SER A 29 -7.859 -7.049 4.450 1.00 0.00 C ATOM 369 C SER A 29 -7.939 -6.845 2.936 1.00 0.00 C ATOM 370 O SER A 29 -7.255 -7.530 2.177 1.00 0.00 O ATOM 371 CB SER A 29 -8.024 -8.531 4.795 1.00 0.00 C ATOM 372 OG SER A 29 -8.867 -9.205 3.864 1.00 0.00 O ATOM 0 H SER A 29 -8.518 -5.382 5.535 1.00 0.00 H new ATOM 0 HA SER A 29 -6.879 -6.728 4.802 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.045 -9.011 4.811 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.442 -8.626 5.797 1.00 0.00 H new ATOM 0 HG SER A 29 -9.779 -8.855 3.936 1.00 0.00 H new ATOM 378 N ARG A 30 -8.778 -5.899 2.542 1.00 0.00 N ATOM 379 CA ARG A 30 -8.956 -5.595 1.132 1.00 0.00 C ATOM 380 C ARG A 30 -7.961 -4.520 0.692 1.00 0.00 C ATOM 381 O ARG A 30 -8.356 -3.488 0.151 1.00 0.00 O ATOM 382 CB ARG A 30 -10.379 -5.111 0.848 1.00 0.00 C ATOM 383 CG ARG A 30 -11.413 -6.097 1.395 1.00 0.00 C ATOM 384 CD ARG A 30 -12.836 -5.618 1.103 1.00 0.00 C ATOM 385 NE ARG A 30 -13.572 -6.651 0.341 1.00 0.00 N ATOM 386 CZ ARG A 30 -14.858 -6.545 -0.020 1.00 0.00 C ATOM 387 NH1 ARG A 30 -15.558 -5.451 0.309 1.00 0.00 N ATOM 388 NH2 ARG A 30 -15.444 -7.533 -0.711 1.00 0.00 N ATOM 0 H ARG A 30 -9.343 -5.332 3.175 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.778 -6.512 0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.531 -4.131 1.301 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.518 -4.991 -0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.257 -7.079 0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.278 -6.212 2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.355 -5.405 2.037 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.806 -4.688 0.535 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.069 -7.497 0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.112 -4.699 0.834 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.537 -5.370 0.034 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.911 -8.366 -0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.423 -7.452 -0.986 1.00 0.00 H new ATOM 402 N TYR A 31 -6.690 -4.797 0.939 1.00 0.00 N ATOM 403 CA TYR A 31 -5.635 -3.866 0.575 1.00 0.00 C ATOM 404 C TYR A 31 -5.737 -3.473 -0.900 1.00 0.00 C ATOM 405 O TYR A 31 -5.399 -2.350 -1.272 1.00 0.00 O ATOM 406 CB TYR A 31 -4.318 -4.611 0.802 1.00 0.00 C ATOM 407 CG TYR A 31 -4.056 -4.980 2.264 1.00 0.00 C ATOM 408 CD1 TYR A 31 -4.195 -4.027 3.252 1.00 0.00 C ATOM 409 CD2 TYR A 31 -3.682 -6.267 2.594 1.00 0.00 C ATOM 410 CE1 TYR A 31 -3.949 -4.375 4.627 1.00 0.00 C ATOM 411 CE2 TYR A 31 -3.435 -6.614 3.969 1.00 0.00 C ATOM 412 CZ TYR A 31 -3.581 -5.651 4.918 1.00 0.00 C ATOM 413 OH TYR A 31 -3.348 -5.980 6.217 1.00 0.00 O ATOM 0 H TYR A 31 -6.366 -5.654 1.387 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.706 -2.954 1.167 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.319 -5.521 0.203 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.496 -3.993 0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.488 -3.020 2.994 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.575 -7.013 1.821 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.054 -3.639 5.410 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.140 -7.617 4.241 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.094 -6.925 6.275 1.00 0.00 H new ATOM 423 N GLN A 32 -6.204 -4.420 -1.701 1.00 0.00 N ATOM 424 CA GLN A 32 -6.354 -4.186 -3.128 1.00 0.00 C ATOM 425 C GLN A 32 -7.347 -3.049 -3.378 1.00 0.00 C ATOM 426 O GLN A 32 -7.383 -2.480 -4.467 1.00 0.00 O ATOM 427 CB GLN A 32 -6.789 -5.463 -3.849 1.00 0.00 C ATOM 428 CG GLN A 32 -5.781 -5.851 -4.933 1.00 0.00 C ATOM 429 CD GLN A 32 -5.976 -5.004 -6.192 1.00 0.00 C ATOM 430 OE1 GLN A 32 -7.020 -5.014 -6.823 1.00 0.00 O ATOM 431 NE2 GLN A 32 -4.915 -4.271 -6.520 1.00 0.00 N ATOM 0 H GLN A 32 -6.483 -5.350 -1.389 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.386 -3.891 -3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.886 -6.276 -3.130 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.772 -5.315 -4.297 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.767 -5.719 -4.555 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.895 -6.907 -5.179 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.072 -4.310 -5.948 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.945 -3.670 -7.344 1.00 0.00 H new ATOM 440 N GLN A 33 -8.130 -2.753 -2.350 1.00 0.00 N ATOM 441 CA GLN A 33 -9.121 -1.695 -2.445 1.00 0.00 C ATOM 442 C GLN A 33 -8.689 -0.488 -1.609 1.00 0.00 C ATOM 443 O GLN A 33 -8.919 0.656 -2.000 1.00 0.00 O ATOM 444 CB GLN A 33 -10.501 -2.195 -2.013 1.00 0.00 C ATOM 445 CG GLN A 33 -10.996 -3.306 -2.942 1.00 0.00 C ATOM 446 CD GLN A 33 -12.521 -3.278 -3.064 1.00 0.00 C ATOM 447 OE1 GLN A 33 -13.234 -4.044 -2.436 1.00 0.00 O ATOM 448 NE2 GLN A 33 -12.980 -2.355 -3.905 1.00 0.00 N ATOM 0 H GLN A 33 -8.098 -3.228 -1.448 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.194 -1.384 -3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.453 -2.566 -0.989 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.210 -1.367 -2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.546 -3.188 -3.928 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.676 -4.275 -2.559 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.328 -1.746 -4.399 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.984 -2.257 -4.056 1.00 0.00 H new ATOM 457 N ALA A 34 -8.072 -0.783 -0.475 1.00 0.00 N ATOM 458 CA ALA A 34 -7.607 0.264 0.419 1.00 0.00 C ATOM 459 C ALA A 34 -6.434 1.000 -0.233 1.00 0.00 C ATOM 460 O ALA A 34 -6.126 2.132 0.137 1.00 0.00 O ATOM 461 CB ALA A 34 -7.232 -0.348 1.770 1.00 0.00 C ATOM 0 H ALA A 34 -7.883 -1.733 -0.154 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.396 0.994 0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.883 0.437 2.441 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.105 -0.835 2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.440 -1.083 1.629 1.00 0.00 H new ATOM 467 N LEU A 35 -5.813 0.328 -1.191 1.00 0.00 N ATOM 468 CA LEU A 35 -4.682 0.905 -1.897 1.00 0.00 C ATOM 469 C LEU A 35 -5.169 2.058 -2.776 1.00 0.00 C ATOM 470 O LEU A 35 -4.821 3.214 -2.540 1.00 0.00 O ATOM 471 CB LEU A 35 -3.923 -0.178 -2.667 1.00 0.00 C ATOM 472 CG LEU A 35 -2.552 0.224 -3.214 1.00 0.00 C ATOM 473 CD1 LEU A 35 -2.686 0.941 -4.559 1.00 0.00 C ATOM 474 CD2 LEU A 35 -1.779 1.062 -2.193 1.00 0.00 C ATOM 0 H LEU A 35 -6.072 -0.611 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.965 1.324 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.792 -1.038 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.543 -0.505 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.975 -0.684 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.697 1.216 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.168 0.279 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.289 1.840 -4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.808 1.335 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.342 1.966 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.635 0.483 -1.281 1.00 0.00 H new ATOM 486 N VAL A 36 -5.967 1.704 -3.773 1.00 0.00 N ATOM 487 CA VAL A 36 -6.506 2.695 -4.689 1.00 0.00 C ATOM 488 C VAL A 36 -7.106 3.851 -3.887 1.00 0.00 C ATOM 489 O VAL A 36 -6.811 5.015 -4.154 1.00 0.00 O ATOM 490 CB VAL A 36 -7.512 2.039 -5.637 1.00 0.00 C ATOM 491 CG1 VAL A 36 -7.023 0.662 -6.089 1.00 0.00 C ATOM 492 CG2 VAL A 36 -8.895 1.944 -4.988 1.00 0.00 C ATOM 0 H VAL A 36 -6.253 0.744 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.714 3.109 -5.313 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.599 2.670 -6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.757 0.218 -6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.071 0.767 -6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.893 0.019 -5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.591 1.474 -5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.830 1.346 -4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.250 2.944 -4.740 1.00 0.00 H new ATOM 502 N CYS A 37 -7.937 3.490 -2.920 1.00 0.00 N ATOM 503 CA CYS A 37 -8.581 4.484 -2.077 1.00 0.00 C ATOM 504 C CYS A 37 -7.502 5.417 -1.525 1.00 0.00 C ATOM 505 O CYS A 37 -7.538 6.623 -1.763 1.00 0.00 O ATOM 506 CB CYS A 37 -9.399 3.833 -0.960 1.00 0.00 C ATOM 507 SG CYS A 37 -10.721 2.790 -1.678 1.00 0.00 S ATOM 0 H CYS A 37 -8.179 2.524 -2.701 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.291 5.062 -2.668 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.749 3.227 -0.328 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.837 4.602 -0.323 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.290 1.570 -1.807 1.00 0.00 H new ATOM 513 N TYR A 38 -6.567 4.824 -0.797 1.00 0.00 N ATOM 514 CA TYR A 38 -5.480 5.588 -0.208 1.00 0.00 C ATOM 515 C TYR A 38 -4.819 6.492 -1.250 1.00 0.00 C ATOM 516 O TYR A 38 -4.442 7.623 -0.946 1.00 0.00 O ATOM 517 CB TYR A 38 -4.458 4.559 0.279 1.00 0.00 C ATOM 518 CG TYR A 38 -4.692 4.080 1.713 1.00 0.00 C ATOM 519 CD1 TYR A 38 -5.064 4.981 2.690 1.00 0.00 C ATOM 520 CD2 TYR A 38 -4.532 2.746 2.029 1.00 0.00 C ATOM 521 CE1 TYR A 38 -5.285 4.530 4.039 1.00 0.00 C ATOM 522 CE2 TYR A 38 -4.753 2.295 3.379 1.00 0.00 C ATOM 523 CZ TYR A 38 -5.118 3.209 4.317 1.00 0.00 C ATOM 524 OH TYR A 38 -5.327 2.783 5.592 1.00 0.00 O ATOM 0 H TYR A 38 -6.540 3.823 -0.602 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.849 6.224 0.597 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.478 3.698 -0.389 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.460 4.992 0.210 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.189 6.025 2.442 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.241 2.041 1.264 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.577 5.225 4.813 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.631 1.254 3.640 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.172 1.817 5.644 1.00 0.00 H new ATOM 534 N GLN A 39 -4.698 5.960 -2.458 1.00 0.00 N ATOM 535 CA GLN A 39 -4.089 6.705 -3.546 1.00 0.00 C ATOM 536 C GLN A 39 -5.022 7.826 -4.010 1.00 0.00 C ATOM 537 O GLN A 39 -4.576 8.943 -4.267 1.00 0.00 O ATOM 538 CB GLN A 39 -3.725 5.779 -4.708 1.00 0.00 C ATOM 539 CG GLN A 39 -2.875 4.602 -4.226 1.00 0.00 C ATOM 540 CD GLN A 39 -1.399 4.813 -4.571 1.00 0.00 C ATOM 541 OE1 GLN A 39 -0.936 4.493 -5.653 1.00 0.00 O ATOM 542 NE2 GLN A 39 -0.689 5.368 -3.593 1.00 0.00 N ATOM 0 H GLN A 39 -5.012 5.022 -2.707 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.166 7.155 -3.180 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.634 5.406 -5.179 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.179 6.339 -5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.987 4.485 -3.148 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.231 3.680 -4.685 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.139 5.612 -2.711 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.306 5.550 -3.725 1.00 0.00 H new ATOM 551 N GLU A 40 -6.300 7.488 -4.102 1.00 0.00 N ATOM 552 CA GLU A 40 -7.299 8.452 -4.530 1.00 0.00 C ATOM 553 C GLU A 40 -7.252 9.696 -3.641 1.00 0.00 C ATOM 554 O GLU A 40 -7.347 10.820 -4.133 1.00 0.00 O ATOM 555 CB GLU A 40 -8.697 7.830 -4.529 1.00 0.00 C ATOM 556 CG GLU A 40 -8.729 6.552 -5.369 1.00 0.00 C ATOM 557 CD GLU A 40 -9.633 6.722 -6.592 1.00 0.00 C ATOM 558 OE1 GLU A 40 -9.467 7.752 -7.281 1.00 0.00 O ATOM 559 OE2 GLU A 40 -10.468 5.818 -6.810 1.00 0.00 O ATOM 0 H GLU A 40 -6.666 6.560 -3.888 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.071 8.752 -5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.998 7.605 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.418 8.546 -4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.719 6.299 -5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.087 5.721 -4.760 1.00 0.00 H new ATOM 566 N GLY A 41 -7.105 9.454 -2.347 1.00 0.00 N ATOM 567 CA GLY A 41 -7.044 10.541 -1.384 1.00 0.00 C ATOM 568 C GLY A 41 -5.715 11.292 -1.489 1.00 0.00 C ATOM 569 O GLY A 41 -5.696 12.520 -1.569 1.00 0.00 O ATOM 0 H GLY A 41 -7.026 8.521 -1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.870 11.231 -1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.164 10.145 -0.375 1.00 0.00 H new ATOM 573 N ILE A 42 -4.636 10.524 -1.486 1.00 0.00 N ATOM 574 CA ILE A 42 -3.306 11.102 -1.580 1.00 0.00 C ATOM 575 C ILE A 42 -3.263 12.086 -2.751 1.00 0.00 C ATOM 576 O ILE A 42 -2.852 13.233 -2.587 1.00 0.00 O ATOM 577 CB ILE A 42 -2.248 10.000 -1.664 1.00 0.00 C ATOM 578 CG1 ILE A 42 -2.023 9.350 -0.298 1.00 0.00 C ATOM 579 CG2 ILE A 42 -0.946 10.534 -2.266 1.00 0.00 C ATOM 580 CD1 ILE A 42 -1.903 7.830 -0.426 1.00 0.00 C ATOM 0 H ILE A 42 -4.655 9.506 -1.420 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.073 11.669 -0.679 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.617 9.223 -2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.117 9.753 0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.850 9.598 0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.211 9.730 -2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.138 10.911 -3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.561 11.341 -1.643 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.743 7.393 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.820 7.428 -0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.060 7.585 -1.072 1.00 0.00 H new ATOM 592 N ASP A 43 -3.694 11.601 -3.906 1.00 0.00 N ATOM 593 CA ASP A 43 -3.711 12.424 -5.103 1.00 0.00 C ATOM 594 C ASP A 43 -4.462 13.725 -4.813 1.00 0.00 C ATOM 595 O ASP A 43 -3.993 14.807 -5.161 1.00 0.00 O ATOM 596 CB ASP A 43 -4.428 11.710 -6.252 1.00 0.00 C ATOM 597 CG ASP A 43 -3.838 11.966 -7.640 1.00 0.00 C ATOM 598 OD1 ASP A 43 -2.594 12.062 -7.720 1.00 0.00 O ATOM 599 OD2 ASP A 43 -4.644 12.060 -8.591 1.00 0.00 O ATOM 0 H ASP A 43 -4.034 10.649 -4.038 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.678 12.623 -5.390 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.413 10.637 -6.059 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.473 12.018 -6.255 1.00 0.00 H new ATOM 604 N MET A 44 -5.615 13.576 -4.179 1.00 0.00 N ATOM 605 CA MET A 44 -6.436 14.725 -3.838 1.00 0.00 C ATOM 606 C MET A 44 -5.700 15.658 -2.873 1.00 0.00 C ATOM 607 O MET A 44 -5.608 16.860 -3.115 1.00 0.00 O ATOM 608 CB MET A 44 -7.739 14.249 -3.193 1.00 0.00 C ATOM 609 CG MET A 44 -8.705 13.704 -4.247 1.00 0.00 C ATOM 610 SD MET A 44 -10.291 13.363 -3.503 1.00 0.00 S ATOM 611 CE MET A 44 -10.208 11.583 -3.397 1.00 0.00 C ATOM 0 H MET A 44 -6.001 12.676 -3.892 1.00 0.00 H new ATOM 0 HA MET A 44 -6.653 15.276 -4.753 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.523 13.474 -2.457 1.00 0.00 H new ATOM 0 HB3 MET A 44 -8.207 15.075 -2.658 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.821 14.427 -5.055 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.298 12.794 -4.689 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.127 11.202 -2.951 1.00 0.00 H new ATOM 0 HE2 MET A 44 -10.089 11.164 -4.396 1.00 0.00 H new ATOM 0 HE3 MET A 44 -9.358 11.295 -2.779 1.00 0.00 H new ATOM 621 N LEU A 45 -5.193 15.067 -1.800 1.00 0.00 N ATOM 622 CA LEU A 45 -4.468 15.830 -0.799 1.00 0.00 C ATOM 623 C LEU A 45 -3.296 16.553 -1.464 1.00 0.00 C ATOM 624 O LEU A 45 -3.133 17.761 -1.299 1.00 0.00 O ATOM 625 CB LEU A 45 -4.053 14.927 0.365 1.00 0.00 C ATOM 626 CG LEU A 45 -5.194 14.262 1.138 1.00 0.00 C ATOM 627 CD1 LEU A 45 -4.739 12.936 1.753 1.00 0.00 C ATOM 628 CD2 LEU A 45 -5.773 15.212 2.187 1.00 0.00 C ATOM 0 H LEU A 45 -5.270 14.069 -1.603 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.110 16.596 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.399 14.146 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.463 15.518 1.065 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.995 14.033 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.568 12.484 2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.413 12.261 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.912 13.118 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.582 14.714 2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.992 15.495 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.159 16.105 1.696 1.00 0.00 H new ATOM 640 N LEU A 46 -2.510 15.783 -2.203 1.00 0.00 N ATOM 641 CA LEU A 46 -1.357 16.336 -2.895 1.00 0.00 C ATOM 642 C LEU A 46 -1.718 17.711 -3.459 1.00 0.00 C ATOM 643 O LEU A 46 -1.101 18.714 -3.102 1.00 0.00 O ATOM 644 CB LEU A 46 -0.844 15.353 -3.949 1.00 0.00 C ATOM 645 CG LEU A 46 0.345 14.484 -3.534 1.00 0.00 C ATOM 646 CD1 LEU A 46 0.890 13.696 -4.726 1.00 0.00 C ATOM 647 CD2 LEU A 46 1.430 15.326 -2.859 1.00 0.00 C ATOM 0 H LEU A 46 -2.649 14.781 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.530 16.484 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.666 14.697 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.563 15.918 -4.838 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.002 13.757 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.734 13.087 -4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.107 13.050 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.217 14.389 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.264 14.684 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.781 16.091 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.019 15.804 -1.970 1.00 0.00 H new ATOM 659 N GLN A 47 -2.715 17.715 -4.332 1.00 0.00 N ATOM 660 CA GLN A 47 -3.165 18.951 -4.949 1.00 0.00 C ATOM 661 C GLN A 47 -3.561 19.967 -3.876 1.00 0.00 C ATOM 662 O GLN A 47 -3.328 21.164 -4.033 1.00 0.00 O ATOM 663 CB GLN A 47 -4.324 18.692 -5.913 1.00 0.00 C ATOM 664 CG GLN A 47 -3.929 17.675 -6.986 1.00 0.00 C ATOM 665 CD GLN A 47 -4.194 18.226 -8.388 1.00 0.00 C ATOM 666 OE1 GLN A 47 -4.548 19.378 -8.574 1.00 0.00 O ATOM 667 NE2 GLN A 47 -4.005 17.340 -9.362 1.00 0.00 N ATOM 0 H GLN A 47 -3.224 16.882 -4.627 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.340 19.366 -5.528 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.187 18.324 -5.359 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.624 19.627 -6.386 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.873 17.425 -6.883 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.491 16.752 -6.842 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.708 16.391 -9.137 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.157 17.610 -10.334 1.00 0.00 H new ATOM 676 N VAL A 48 -4.153 19.452 -2.808 1.00 0.00 N ATOM 677 CA VAL A 48 -4.584 20.299 -1.709 1.00 0.00 C ATOM 678 C VAL A 48 -3.357 20.922 -1.040 1.00 0.00 C ATOM 679 O VAL A 48 -3.292 22.137 -0.862 1.00 0.00 O ATOM 680 CB VAL A 48 -5.451 19.496 -0.738 1.00 0.00 C ATOM 681 CG1 VAL A 48 -5.971 20.383 0.395 1.00 0.00 C ATOM 682 CG2 VAL A 48 -6.605 18.810 -1.472 1.00 0.00 C ATOM 0 H VAL A 48 -4.344 18.458 -2.681 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.204 21.116 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.827 18.719 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.584 19.787 1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.128 20.803 0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.571 21.192 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.206 18.246 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.228 19.563 -1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.205 18.132 -2.226 1.00 0.00 H new ATOM 692 N LEU A 49 -2.414 20.061 -0.688 1.00 0.00 N ATOM 693 CA LEU A 49 -1.192 20.511 -0.042 1.00 0.00 C ATOM 694 C LEU A 49 -0.484 21.520 -0.949 1.00 0.00 C ATOM 695 O LEU A 49 -0.162 22.627 -0.519 1.00 0.00 O ATOM 696 CB LEU A 49 -0.320 19.316 0.348 1.00 0.00 C ATOM 697 CG LEU A 49 0.936 19.639 1.160 1.00 0.00 C ATOM 698 CD1 LEU A 49 2.172 19.690 0.261 1.00 0.00 C ATOM 699 CD2 LEU A 49 0.755 20.932 1.959 1.00 0.00 C ATOM 0 H LEU A 49 -2.471 19.054 -0.838 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.421 21.026 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.930 18.618 0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.017 18.800 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 49 1.094 18.835 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.051 19.921 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.309 18.724 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.039 20.461 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.662 21.139 2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.559 21.758 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.085 20.822 2.644 1.00 0.00 H new ATOM 711 N LYS A 50 -0.262 21.101 -2.186 1.00 0.00 N ATOM 712 CA LYS A 50 0.403 21.954 -3.156 1.00 0.00 C ATOM 713 C LYS A 50 -0.128 23.383 -3.022 1.00 0.00 C ATOM 714 O LYS A 50 0.589 24.344 -3.295 1.00 0.00 O ATOM 715 CB LYS A 50 0.260 21.375 -4.565 1.00 0.00 C ATOM 716 CG LYS A 50 1.094 20.101 -4.722 1.00 0.00 C ATOM 717 CD LYS A 50 2.383 20.381 -5.496 1.00 0.00 C ATOM 718 CE LYS A 50 2.476 19.498 -6.742 1.00 0.00 C ATOM 719 NZ LYS A 50 3.857 18.994 -6.918 1.00 0.00 N ATOM 0 H LYS A 50 -0.531 20.182 -2.539 1.00 0.00 H new ATOM 0 HA LYS A 50 1.474 21.992 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.788 21.155 -4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.578 22.115 -5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.336 19.697 -3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.510 19.342 -5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.416 21.431 -5.787 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.244 20.201 -4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.785 18.660 -6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.175 20.067 -7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.903 18.397 -7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.509 19.797 -7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.131 18.434 -6.086 1.00 0.00 H new ATOM 733 N GLY A 51 -1.381 23.477 -2.602 1.00 0.00 N ATOM 734 CA GLY A 51 -2.017 24.772 -2.428 1.00 0.00 C ATOM 735 C GLY A 51 -2.562 24.928 -1.007 1.00 0.00 C ATOM 736 O GLY A 51 -3.775 24.941 -0.801 1.00 0.00 O ATOM 0 H GLY A 51 -1.973 22.677 -2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.298 25.565 -2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.829 24.882 -3.147 1.00 0.00 H new ATOM 740 N THR A 52 -1.640 25.044 -0.063 1.00 0.00 N ATOM 741 CA THR A 52 -2.013 25.199 1.333 1.00 0.00 C ATOM 742 C THR A 52 -1.441 26.501 1.896 1.00 0.00 C ATOM 743 O THR A 52 -2.155 27.273 2.534 1.00 0.00 O ATOM 744 CB THR A 52 -1.546 23.953 2.089 1.00 0.00 C ATOM 745 OG1 THR A 52 -2.485 22.949 1.715 1.00 0.00 O ATOM 746 CG2 THR A 52 -1.725 24.086 3.603 1.00 0.00 C ATOM 0 H THR A 52 -0.635 25.034 -0.237 1.00 0.00 H new ATOM 0 HA THR A 52 -3.094 25.279 1.447 1.00 0.00 H new ATOM 0 HB THR A 52 -0.497 23.762 1.863 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.512 22.874 0.738 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.379 23.175 4.092 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.145 24.935 3.965 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.779 24.242 3.832 1.00 0.00 H new ATOM 754 N LYS A 53 -0.157 26.706 1.641 1.00 0.00 N ATOM 755 CA LYS A 53 0.520 27.901 2.114 1.00 0.00 C ATOM 756 C LYS A 53 0.763 27.781 3.620 1.00 0.00 C ATOM 757 O LYS A 53 1.904 27.848 4.075 1.00 0.00 O ATOM 758 CB LYS A 53 -0.264 29.153 1.715 1.00 0.00 C ATOM 759 CG LYS A 53 0.492 29.959 0.657 1.00 0.00 C ATOM 760 CD LYS A 53 1.052 31.254 1.249 1.00 0.00 C ATOM 761 CE LYS A 53 2.460 31.038 1.808 1.00 0.00 C ATOM 762 NZ LYS A 53 2.433 31.017 3.287 1.00 0.00 N ATOM 0 H LYS A 53 0.433 26.063 1.112 1.00 0.00 H new ATOM 0 HA LYS A 53 1.497 28.000 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.242 28.866 1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.438 29.773 2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.306 29.359 0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.176 30.193 -0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.076 32.028 0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.393 31.611 2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.867 30.099 1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.121 31.833 1.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.379 31.243 3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.750 31.721 3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.151 30.071 3.616 1.00 0.00 H new ATOM 776 N GLU A 54 -0.327 27.607 4.352 1.00 0.00 N ATOM 777 CA GLU A 54 -0.247 27.478 5.796 1.00 0.00 C ATOM 778 C GLU A 54 0.891 26.530 6.182 1.00 0.00 C ATOM 779 O GLU A 54 0.705 25.315 6.220 1.00 0.00 O ATOM 780 CB GLU A 54 -1.578 27.002 6.380 1.00 0.00 C ATOM 781 CG GLU A 54 -2.478 28.188 6.733 1.00 0.00 C ATOM 782 CD GLU A 54 -2.637 29.130 5.538 1.00 0.00 C ATOM 783 OE1 GLU A 54 -3.583 28.897 4.754 1.00 0.00 O ATOM 784 OE2 GLU A 54 -1.811 30.062 5.435 1.00 0.00 O ATOM 0 H GLU A 54 -1.272 27.552 3.971 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.035 28.461 6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.085 26.358 5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.394 26.402 7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.457 27.826 7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.054 28.733 7.576 1.00 0.00 H new ATOM 791 N SER A 55 2.044 27.122 6.457 1.00 0.00 N ATOM 792 CA SER A 55 3.211 26.345 6.838 1.00 0.00 C ATOM 793 C SER A 55 2.805 25.228 7.802 1.00 0.00 C ATOM 794 O SER A 55 3.290 24.103 7.694 1.00 0.00 O ATOM 795 CB SER A 55 4.280 27.234 7.476 1.00 0.00 C ATOM 796 OG SER A 55 5.233 26.476 8.217 1.00 0.00 O ATOM 0 H SER A 55 2.195 28.130 6.424 1.00 0.00 H new ATOM 0 HA SER A 55 3.635 25.902 5.937 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.793 27.800 6.698 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.802 27.959 8.135 1.00 0.00 H new ATOM 0 HG SER A 55 5.899 27.080 8.607 1.00 0.00 H new ATOM 802 N SER A 56 1.920 25.578 8.723 1.00 0.00 N ATOM 803 CA SER A 56 1.443 24.619 9.706 1.00 0.00 C ATOM 804 C SER A 56 0.633 23.521 9.014 1.00 0.00 C ATOM 805 O SER A 56 1.043 22.362 8.994 1.00 0.00 O ATOM 806 CB SER A 56 0.598 25.306 10.780 1.00 0.00 C ATOM 807 OG SER A 56 1.209 26.502 11.257 1.00 0.00 O ATOM 0 H SER A 56 1.520 26.512 8.810 1.00 0.00 H new ATOM 0 HA SER A 56 2.308 24.170 10.195 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.386 25.539 10.373 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.444 24.621 11.613 1.00 0.00 H new ATOM 0 HG SER A 56 0.638 26.911 11.940 1.00 0.00 H new ATOM 813 N LYS A 57 -0.503 23.925 8.465 1.00 0.00 N ATOM 814 CA LYS A 57 -1.375 22.989 7.775 1.00 0.00 C ATOM 815 C LYS A 57 -0.532 22.083 6.875 1.00 0.00 C ATOM 816 O LYS A 57 -0.661 20.860 6.926 1.00 0.00 O ATOM 817 CB LYS A 57 -2.481 23.738 7.029 1.00 0.00 C ATOM 818 CG LYS A 57 -3.446 24.409 8.010 1.00 0.00 C ATOM 819 CD LYS A 57 -4.817 24.629 7.366 1.00 0.00 C ATOM 820 CE LYS A 57 -5.902 23.842 8.105 1.00 0.00 C ATOM 821 NZ LYS A 57 -6.464 24.649 9.211 1.00 0.00 N ATOM 0 H LYS A 57 -0.840 24.888 8.484 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.885 22.344 8.491 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.039 24.490 6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.029 23.044 6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.554 23.790 8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.035 25.365 8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.062 25.691 7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.786 24.320 6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.695 23.564 7.411 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.484 22.916 8.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.199 24.101 9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.708 24.893 9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.881 25.521 8.827 1.00 0.00 H new ATOM 835 N ARG A 58 0.311 22.717 6.074 1.00 0.00 N ATOM 836 CA ARG A 58 1.174 21.982 5.164 1.00 0.00 C ATOM 837 C ARG A 58 1.884 20.848 5.906 1.00 0.00 C ATOM 838 O ARG A 58 1.934 19.719 5.420 1.00 0.00 O ATOM 839 CB ARG A 58 2.221 22.903 4.534 1.00 0.00 C ATOM 840 CG ARG A 58 1.591 23.798 3.465 1.00 0.00 C ATOM 841 CD ARG A 58 2.586 24.852 2.976 1.00 0.00 C ATOM 842 NE ARG A 58 2.776 24.729 1.513 1.00 0.00 N ATOM 843 CZ ARG A 58 3.639 25.469 0.803 1.00 0.00 C ATOM 844 NH1 ARG A 58 4.397 26.388 1.416 1.00 0.00 N ATOM 845 NH2 ARG A 58 3.744 25.288 -0.521 1.00 0.00 N ATOM 0 H ARG A 58 0.415 23.731 6.036 1.00 0.00 H new ATOM 0 HA ARG A 58 0.547 21.568 4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.679 23.520 5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.017 22.305 4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.259 23.188 2.625 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.707 24.289 3.871 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.221 25.850 3.221 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.541 24.727 3.487 1.00 0.00 H new ATOM 0 HE ARG A 58 2.215 24.038 1.014 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.318 26.525 2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.054 26.951 0.875 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.167 24.588 -0.987 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.400 25.851 -1.062 1.00 0.00 H new ATOM 859 N CYS A 59 2.415 21.187 7.072 1.00 0.00 N ATOM 860 CA CYS A 59 3.119 20.211 7.885 1.00 0.00 C ATOM 861 C CYS A 59 2.178 19.032 8.145 1.00 0.00 C ATOM 862 O CYS A 59 2.552 17.878 7.941 1.00 0.00 O ATOM 863 CB CYS A 59 3.635 20.826 9.188 1.00 0.00 C ATOM 864 SG CYS A 59 5.375 20.335 9.466 1.00 0.00 S ATOM 0 H CYS A 59 2.371 22.124 7.473 1.00 0.00 H new ATOM 0 HA CYS A 59 4.002 19.859 7.351 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.558 21.912 9.142 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.018 20.497 10.024 1.00 0.00 H new ATOM 0 HG CYS A 59 5.804 20.864 10.573 1.00 0.00 H new ATOM 870 N VAL A 60 0.975 19.364 8.590 1.00 0.00 N ATOM 871 CA VAL A 60 -0.022 18.348 8.879 1.00 0.00 C ATOM 872 C VAL A 60 -0.373 17.603 7.589 1.00 0.00 C ATOM 873 O VAL A 60 -0.406 16.373 7.568 1.00 0.00 O ATOM 874 CB VAL A 60 -1.240 18.986 9.551 1.00 0.00 C ATOM 875 CG1 VAL A 60 -2.318 17.939 9.839 1.00 0.00 C ATOM 876 CG2 VAL A 60 -0.837 19.723 10.829 1.00 0.00 C ATOM 0 H VAL A 60 0.668 20.322 8.757 1.00 0.00 H new ATOM 0 HA VAL A 60 0.373 17.614 9.582 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.659 19.718 8.860 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.173 18.418 10.317 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.636 17.478 8.904 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.914 17.174 10.502 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.721 20.167 11.287 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.382 19.020 11.526 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.121 20.508 10.586 1.00 0.00 H new ATOM 886 N LEU A 61 -0.627 18.378 6.546 1.00 0.00 N ATOM 887 CA LEU A 61 -0.974 17.807 5.255 1.00 0.00 C ATOM 888 C LEU A 61 0.118 16.826 4.826 1.00 0.00 C ATOM 889 O LEU A 61 -0.135 15.630 4.690 1.00 0.00 O ATOM 890 CB LEU A 61 -1.242 18.914 4.234 1.00 0.00 C ATOM 891 CG LEU A 61 -2.614 19.586 4.317 1.00 0.00 C ATOM 892 CD1 LEU A 61 -2.627 20.905 3.543 1.00 0.00 C ATOM 893 CD2 LEU A 61 -3.719 18.636 3.849 1.00 0.00 C ATOM 0 H LEU A 61 -0.600 19.397 6.568 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.902 17.240 5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.476 19.681 4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.125 18.495 3.235 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.815 19.824 5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.614 21.361 3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.882 21.581 3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.395 20.714 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.684 19.138 3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.535 18.345 2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.726 17.747 4.480 1.00 0.00 H new ATOM 905 N ARG A 62 1.310 17.368 4.625 1.00 0.00 N ATOM 906 CA ARG A 62 2.442 16.555 4.214 1.00 0.00 C ATOM 907 C ARG A 62 2.559 15.317 5.106 1.00 0.00 C ATOM 908 O ARG A 62 3.019 14.267 4.660 1.00 0.00 O ATOM 909 CB ARG A 62 3.747 17.351 4.286 1.00 0.00 C ATOM 910 CG ARG A 62 3.915 18.240 3.052 1.00 0.00 C ATOM 911 CD ARG A 62 5.184 19.089 3.157 1.00 0.00 C ATOM 912 NE ARG A 62 6.096 18.776 2.035 1.00 0.00 N ATOM 913 CZ ARG A 62 6.035 19.362 0.832 1.00 0.00 C ATOM 914 NH1 ARG A 62 5.104 20.294 0.586 1.00 0.00 N ATOM 915 NH2 ARG A 62 6.905 19.015 -0.127 1.00 0.00 N ATOM 0 H ARG A 62 1.517 18.360 4.739 1.00 0.00 H new ATOM 0 HA ARG A 62 2.272 16.249 3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.753 17.966 5.186 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.591 16.666 4.363 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.961 17.620 2.156 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.046 18.890 2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.925 20.148 3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.683 18.896 4.107 1.00 0.00 H new ATOM 0 HE ARG A 62 6.816 18.070 2.187 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.441 20.558 1.315 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.058 20.740 -0.330 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.613 18.305 0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.859 19.461 -1.043 1.00 0.00 H new ATOM 929 N THR A 63 2.133 15.481 6.350 1.00 0.00 N ATOM 930 CA THR A 63 2.183 14.390 7.308 1.00 0.00 C ATOM 931 C THR A 63 1.086 13.367 7.010 1.00 0.00 C ATOM 932 O THR A 63 1.257 12.176 7.264 1.00 0.00 O ATOM 933 CB THR A 63 2.090 14.990 8.713 1.00 0.00 C ATOM 934 OG1 THR A 63 3.448 15.160 9.109 1.00 0.00 O ATOM 935 CG2 THR A 63 1.524 14.002 9.735 1.00 0.00 C ATOM 0 H THR A 63 1.752 16.353 6.716 1.00 0.00 H new ATOM 0 HA THR A 63 3.122 13.842 7.234 1.00 0.00 H new ATOM 0 HB THR A 63 1.464 15.882 8.686 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.745 16.065 8.880 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.479 14.478 10.715 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.521 13.700 9.432 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.168 13.124 9.787 1.00 0.00 H new ATOM 943 N LYS A 64 -0.017 13.869 6.474 1.00 0.00 N ATOM 944 CA LYS A 64 -1.143 13.014 6.139 1.00 0.00 C ATOM 945 C LYS A 64 -0.851 12.286 4.825 1.00 0.00 C ATOM 946 O LYS A 64 -0.931 11.060 4.759 1.00 0.00 O ATOM 947 CB LYS A 64 -2.442 13.822 6.118 1.00 0.00 C ATOM 948 CG LYS A 64 -3.262 13.573 7.386 1.00 0.00 C ATOM 949 CD LYS A 64 -4.604 14.305 7.323 1.00 0.00 C ATOM 950 CE LYS A 64 -4.805 15.187 8.557 1.00 0.00 C ATOM 951 NZ LYS A 64 -5.399 14.404 9.663 1.00 0.00 N ATOM 0 H LYS A 64 -0.155 14.857 6.263 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.282 12.250 6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.213 14.884 6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.030 13.550 5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.432 12.503 7.509 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.701 13.909 8.258 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.646 14.918 6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.415 13.580 7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.849 15.605 8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.454 16.027 8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.529 15.018 10.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.321 14.026 9.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.766 13.617 9.910 1.00 0.00 H new ATOM 965 N ILE A 65 -0.517 13.072 3.812 1.00 0.00 N ATOM 966 CA ILE A 65 -0.213 12.517 2.504 1.00 0.00 C ATOM 967 C ILE A 65 0.804 11.384 2.659 1.00 0.00 C ATOM 968 O ILE A 65 0.490 10.224 2.398 1.00 0.00 O ATOM 969 CB ILE A 65 0.238 13.621 1.545 1.00 0.00 C ATOM 970 CG1 ILE A 65 -0.960 14.417 1.023 1.00 0.00 C ATOM 971 CG2 ILE A 65 1.085 13.048 0.408 1.00 0.00 C ATOM 972 CD1 ILE A 65 -0.611 15.899 0.875 1.00 0.00 C ATOM 0 H ILE A 65 -0.450 14.088 3.871 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.108 12.084 2.057 1.00 0.00 H new ATOM 0 HB ILE A 65 0.870 14.316 2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.276 14.016 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.802 14.304 1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.392 13.854 -0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.969 12.563 0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.499 12.319 -0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.480 16.442 0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.319 16.303 1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.215 16.010 0.172 1.00 0.00 H new ATOM 984 N SER A 66 2.001 11.761 3.083 1.00 0.00 N ATOM 985 CA SER A 66 3.066 10.791 3.276 1.00 0.00 C ATOM 986 C SER A 66 2.555 9.611 4.105 1.00 0.00 C ATOM 987 O SER A 66 2.766 8.455 3.742 1.00 0.00 O ATOM 988 CB SER A 66 4.278 11.432 3.956 1.00 0.00 C ATOM 989 OG SER A 66 3.967 11.910 5.262 1.00 0.00 O ATOM 0 H SER A 66 2.257 12.725 3.298 1.00 0.00 H new ATOM 0 HA SER A 66 3.381 10.430 2.297 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.086 10.703 4.020 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.642 12.258 3.345 1.00 0.00 H new ATOM 0 HG SER A 66 3.591 12.813 5.199 1.00 0.00 H new ATOM 995 N GLY A 67 1.893 9.943 5.203 1.00 0.00 N ATOM 996 CA GLY A 67 1.350 8.925 6.087 1.00 0.00 C ATOM 997 C GLY A 67 0.450 7.956 5.318 1.00 0.00 C ATOM 998 O GLY A 67 0.432 6.760 5.605 1.00 0.00 O ATOM 0 H GLY A 67 1.720 10.903 5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.165 8.375 6.558 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.781 9.399 6.887 1.00 0.00 H new ATOM 1002 N TYR A 68 -0.275 8.507 4.356 1.00 0.00 N ATOM 1003 CA TYR A 68 -1.175 7.706 3.544 1.00 0.00 C ATOM 1004 C TYR A 68 -0.430 7.063 2.372 1.00 0.00 C ATOM 1005 O TYR A 68 -0.949 6.154 1.726 1.00 0.00 O ATOM 1006 CB TYR A 68 -2.224 8.675 2.995 1.00 0.00 C ATOM 1007 CG TYR A 68 -3.195 9.205 4.053 1.00 0.00 C ATOM 1008 CD1 TYR A 68 -3.883 8.323 4.861 1.00 0.00 C ATOM 1009 CD2 TYR A 68 -3.382 10.564 4.199 1.00 0.00 C ATOM 1010 CE1 TYR A 68 -4.797 8.821 5.856 1.00 0.00 C ATOM 1011 CE2 TYR A 68 -4.295 11.063 5.194 1.00 0.00 C ATOM 1012 CZ TYR A 68 -4.958 10.167 5.973 1.00 0.00 C ATOM 1013 OH TYR A 68 -5.821 10.637 6.913 1.00 0.00 O ATOM 0 H TYR A 68 -0.257 9.499 4.120 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.616 6.905 4.137 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.716 9.519 2.528 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.793 8.173 2.213 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.736 7.259 4.747 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.843 11.254 3.567 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.342 8.142 6.495 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.450 12.125 5.319 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.853 10.013 7.668 1.00 0.00 H new ATOM 1023 N MET A 69 0.775 7.561 2.133 1.00 0.00 N ATOM 1024 CA MET A 69 1.596 7.046 1.051 1.00 0.00 C ATOM 1025 C MET A 69 2.335 5.776 1.479 1.00 0.00 C ATOM 1026 O MET A 69 2.386 4.801 0.730 1.00 0.00 O ATOM 1027 CB MET A 69 2.611 8.110 0.630 1.00 0.00 C ATOM 1028 CG MET A 69 1.938 9.221 -0.179 1.00 0.00 C ATOM 1029 SD MET A 69 3.054 9.824 -1.435 1.00 0.00 S ATOM 1030 CE MET A 69 2.837 8.560 -2.676 1.00 0.00 C ATOM 0 H MET A 69 1.202 8.316 2.670 1.00 0.00 H new ATOM 0 HA MET A 69 0.945 6.799 0.212 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.085 8.536 1.514 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.400 7.650 0.036 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.026 8.844 -0.642 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.646 10.037 0.482 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.713 8.533 -3.325 1.00 0.00 H new ATOM 0 HE2 MET A 69 2.714 7.591 -2.191 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.951 8.783 -3.271 1.00 0.00 H new ATOM 1040 N ASP A 70 2.889 5.829 2.681 1.00 0.00 N ATOM 1041 CA ASP A 70 3.622 4.695 3.218 1.00 0.00 C ATOM 1042 C ASP A 70 2.728 3.454 3.186 1.00 0.00 C ATOM 1043 O ASP A 70 3.103 2.429 2.618 1.00 0.00 O ATOM 1044 CB ASP A 70 4.035 4.944 4.670 1.00 0.00 C ATOM 1045 CG ASP A 70 4.560 3.713 5.412 1.00 0.00 C ATOM 1046 OD1 ASP A 70 5.702 3.309 5.104 1.00 0.00 O ATOM 1047 OD2 ASP A 70 3.807 3.205 6.271 1.00 0.00 O ATOM 0 H ASP A 70 2.845 6.640 3.299 1.00 0.00 H new ATOM 0 HA ASP A 70 4.515 4.551 2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.805 5.715 4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.177 5.339 5.214 1.00 0.00 H new ATOM 1052 N ARG A 71 1.563 3.587 3.803 1.00 0.00 N ATOM 1053 CA ARG A 71 0.613 2.488 3.852 1.00 0.00 C ATOM 1054 C ARG A 71 0.330 1.968 2.442 1.00 0.00 C ATOM 1055 O ARG A 71 0.448 0.771 2.182 1.00 0.00 O ATOM 1056 CB ARG A 71 -0.702 2.926 4.500 1.00 0.00 C ATOM 1057 CG ARG A 71 -1.594 1.720 4.800 1.00 0.00 C ATOM 1058 CD ARG A 71 -0.815 0.633 5.544 1.00 0.00 C ATOM 1059 NE ARG A 71 -1.747 -0.221 6.313 1.00 0.00 N ATOM 1060 CZ ARG A 71 -2.336 0.152 7.458 1.00 0.00 C ATOM 1061 NH1 ARG A 71 -2.093 1.366 7.972 1.00 0.00 N ATOM 1062 NH2 ARG A 71 -3.168 -0.688 8.088 1.00 0.00 N ATOM 0 H ARG A 71 1.255 4.438 4.273 1.00 0.00 H new ATOM 0 HA ARG A 71 1.055 1.694 4.454 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.494 3.467 5.423 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.226 3.615 3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.448 2.035 5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.990 1.316 3.869 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.254 0.026 4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.089 1.090 6.216 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.954 -1.151 5.949 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.460 2.006 7.492 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.541 1.650 8.843 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.353 -1.611 7.696 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.616 -0.404 8.959 1.00 0.00 H new ATOM 1076 N ALA A 72 -0.038 2.892 1.567 1.00 0.00 N ATOM 1077 CA ALA A 72 -0.340 2.542 0.189 1.00 0.00 C ATOM 1078 C ALA A 72 0.817 1.724 -0.389 1.00 0.00 C ATOM 1079 O ALA A 72 0.622 0.594 -0.833 1.00 0.00 O ATOM 1080 CB ALA A 72 -0.612 3.815 -0.614 1.00 0.00 C ATOM 0 H ALA A 72 -0.134 3.884 1.786 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.238 1.927 0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.838 3.552 -1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.460 4.345 -0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.269 4.457 -0.588 1.00 0.00 H new ATOM 1086 N GLU A 73 1.997 2.328 -0.365 1.00 0.00 N ATOM 1087 CA GLU A 73 3.185 1.671 -0.881 1.00 0.00 C ATOM 1088 C GLU A 73 3.260 0.231 -0.368 1.00 0.00 C ATOM 1089 O GLU A 73 3.166 -0.715 -1.147 1.00 0.00 O ATOM 1090 CB GLU A 73 4.448 2.451 -0.512 1.00 0.00 C ATOM 1091 CG GLU A 73 4.934 3.296 -1.691 1.00 0.00 C ATOM 1092 CD GLU A 73 6.456 3.457 -1.659 1.00 0.00 C ATOM 1093 OE1 GLU A 73 7.118 2.499 -1.204 1.00 0.00 O ATOM 1094 OE2 GLU A 73 6.922 4.533 -2.091 1.00 0.00 O ATOM 0 H GLU A 73 2.155 3.266 0.004 1.00 0.00 H new ATOM 0 HA GLU A 73 3.119 1.646 -1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.245 3.096 0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.233 1.758 -0.209 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.634 2.827 -2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.460 4.277 -1.660 1.00 0.00 H new ATOM 1101 N ASN A 74 3.429 0.112 0.941 1.00 0.00 N ATOM 1102 CA ASN A 74 3.518 -1.196 1.567 1.00 0.00 C ATOM 1103 C ASN A 74 2.500 -2.137 0.921 1.00 0.00 C ATOM 1104 O ASN A 74 2.831 -3.267 0.566 1.00 0.00 O ATOM 1105 CB ASN A 74 3.204 -1.114 3.062 1.00 0.00 C ATOM 1106 CG ASN A 74 4.457 -1.369 3.902 1.00 0.00 C ATOM 1107 OD1 ASN A 74 5.283 -2.211 3.590 1.00 0.00 O ATOM 1108 ND2 ASN A 74 4.551 -0.598 4.981 1.00 0.00 N ATOM 0 H ASN A 74 3.507 0.899 1.585 1.00 0.00 H new ATOM 0 HA ASN A 74 4.535 -1.565 1.432 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.798 -0.130 3.298 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.437 -1.845 3.316 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.351 -0.692 5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.823 0.087 5.183 1.00 0.00 H new ATOM 1115 N ILE A 75 1.280 -1.636 0.789 1.00 0.00 N ATOM 1116 CA ILE A 75 0.211 -2.418 0.191 1.00 0.00 C ATOM 1117 C ILE A 75 0.588 -2.774 -1.248 1.00 0.00 C ATOM 1118 O ILE A 75 0.721 -3.949 -1.586 1.00 0.00 O ATOM 1119 CB ILE A 75 -1.124 -1.680 0.312 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -1.662 -1.752 1.743 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -2.136 -2.207 -0.707 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -2.827 -0.780 1.939 1.00 0.00 C ATOM 0 H ILE A 75 1.008 -0.699 1.086 1.00 0.00 H new ATOM 0 HA ILE A 75 0.080 -3.357 0.728 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.955 -0.628 0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.991 -2.768 1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.864 -1.517 2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.076 -1.666 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.747 -2.062 -1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.307 -3.269 -0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.191 -0.851 2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.489 0.238 1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.632 -1.033 1.250 1.00 0.00 H new ATOM 1134 N LYS A 76 0.750 -1.738 -2.057 1.00 0.00 N ATOM 1135 CA LYS A 76 1.110 -1.927 -3.453 1.00 0.00 C ATOM 1136 C LYS A 76 2.255 -2.936 -3.547 1.00 0.00 C ATOM 1137 O LYS A 76 2.166 -3.914 -4.289 1.00 0.00 O ATOM 1138 CB LYS A 76 1.419 -0.582 -4.113 1.00 0.00 C ATOM 1139 CG LYS A 76 0.204 -0.054 -4.879 1.00 0.00 C ATOM 1140 CD LYS A 76 0.570 0.277 -6.327 1.00 0.00 C ATOM 1141 CE LYS A 76 1.176 1.678 -6.433 1.00 0.00 C ATOM 1142 NZ LYS A 76 2.556 1.606 -6.963 1.00 0.00 N ATOM 0 H LYS A 76 0.639 -0.765 -1.773 1.00 0.00 H new ATOM 0 HA LYS A 76 0.271 -2.344 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.716 0.140 -3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.263 -0.693 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.592 -0.798 -4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.183 0.837 -4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.280 -0.459 -6.704 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.319 0.213 -6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.561 2.298 -7.085 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.181 2.154 -5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.959 2.563 -7.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.139 1.017 -6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.541 1.187 -7.915 1.00 0.00 H new ATOM 1156 N LYS A 77 3.305 -2.665 -2.786 1.00 0.00 N ATOM 1157 CA LYS A 77 4.467 -3.538 -2.775 1.00 0.00 C ATOM 1158 C LYS A 77 4.022 -4.967 -2.458 1.00 0.00 C ATOM 1159 O LYS A 77 4.638 -5.929 -2.917 1.00 0.00 O ATOM 1160 CB LYS A 77 5.532 -2.999 -1.819 1.00 0.00 C ATOM 1161 CG LYS A 77 6.442 -1.990 -2.523 1.00 0.00 C ATOM 1162 CD LYS A 77 5.768 -0.620 -2.620 1.00 0.00 C ATOM 1163 CE LYS A 77 4.753 -0.587 -3.764 1.00 0.00 C ATOM 1164 NZ LYS A 77 5.128 0.440 -4.761 1.00 0.00 N ATOM 0 H LYS A 77 3.376 -1.853 -2.172 1.00 0.00 H new ATOM 0 HA LYS A 77 4.937 -3.561 -3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.051 -2.525 -0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.129 -3.824 -1.432 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.381 -1.900 -1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.687 -2.351 -3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.268 -0.389 -1.679 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.523 0.150 -2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.703 -1.565 -4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.759 -0.374 -3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.813 0.139 -5.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.674 1.343 -4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.161 0.561 -4.763 1.00 0.00 H new ATOM 1178 N TYR A 78 2.957 -5.063 -1.676 1.00 0.00 N ATOM 1179 CA TYR A 78 2.423 -6.358 -1.293 1.00 0.00 C ATOM 1180 C TYR A 78 1.404 -6.857 -2.320 1.00 0.00 C ATOM 1181 O TYR A 78 1.141 -8.055 -2.406 1.00 0.00 O ATOM 1182 CB TYR A 78 1.716 -6.144 0.047 1.00 0.00 C ATOM 1183 CG TYR A 78 0.473 -7.015 0.241 1.00 0.00 C ATOM 1184 CD1 TYR A 78 0.604 -8.311 0.696 1.00 0.00 C ATOM 1185 CD2 TYR A 78 -0.778 -6.504 -0.039 1.00 0.00 C ATOM 1186 CE1 TYR A 78 -0.566 -9.131 0.879 1.00 0.00 C ATOM 1187 CE2 TYR A 78 -1.947 -7.324 0.144 1.00 0.00 C ATOM 1188 CZ TYR A 78 -1.784 -8.597 0.594 1.00 0.00 C ATOM 1189 OH TYR A 78 -2.889 -9.371 0.766 1.00 0.00 O ATOM 0 H TYR A 78 2.449 -4.264 -1.297 1.00 0.00 H new ATOM 0 HA TYR A 78 3.221 -7.098 -1.231 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.420 -6.348 0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.429 -5.096 0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.583 -8.710 0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.880 -5.490 -0.395 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.478 -10.147 1.235 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.932 -6.937 -0.071 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.852 -10.134 0.153 1.00 0.00 H new ATOM 1199 N LEU A 79 0.860 -5.913 -3.072 1.00 0.00 N ATOM 1200 CA LEU A 79 -0.124 -6.241 -4.090 1.00 0.00 C ATOM 1201 C LEU A 79 0.596 -6.679 -5.367 1.00 0.00 C ATOM 1202 O LEU A 79 0.123 -7.565 -6.077 1.00 0.00 O ATOM 1203 CB LEU A 79 -1.090 -5.073 -4.298 1.00 0.00 C ATOM 1204 CG LEU A 79 -1.960 -4.699 -3.096 1.00 0.00 C ATOM 1205 CD1 LEU A 79 -2.812 -3.465 -3.399 1.00 0.00 C ATOM 1206 CD2 LEU A 79 -2.812 -5.888 -2.646 1.00 0.00 C ATOM 0 H LEU A 79 1.082 -4.920 -2.997 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.740 -7.080 -3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.511 -4.196 -4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.746 -5.314 -5.135 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.303 -4.440 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.421 -3.221 -2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.162 -2.623 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.462 -3.671 -4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.421 -5.596 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.461 -6.201 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.161 -6.715 -2.363 1.00 0.00 H new ATOM 1218 N ASP A 80 1.728 -6.039 -5.619 1.00 0.00 N ATOM 1219 CA ASP A 80 2.517 -6.351 -6.798 1.00 0.00 C ATOM 1220 C ASP A 80 3.029 -7.789 -6.698 1.00 0.00 C ATOM 1221 O ASP A 80 3.078 -8.506 -7.697 1.00 0.00 O ATOM 1222 CB ASP A 80 3.730 -5.425 -6.910 1.00 0.00 C ATOM 1223 CG ASP A 80 3.687 -4.442 -8.082 1.00 0.00 C ATOM 1224 OD1 ASP A 80 2.612 -4.359 -8.714 1.00 0.00 O ATOM 1225 OD2 ASP A 80 4.731 -3.796 -8.319 1.00 0.00 O ATOM 0 H ASP A 80 2.118 -5.306 -5.027 1.00 0.00 H new ATOM 0 HA ASP A 80 1.881 -6.220 -7.673 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.823 -4.858 -5.983 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.628 -6.036 -7.001 1.00 0.00 H new ATOM 1230 N GLN A 81 3.396 -8.170 -5.483 1.00 0.00 N ATOM 1231 CA GLN A 81 3.902 -9.510 -5.239 1.00 0.00 C ATOM 1232 C GLN A 81 2.744 -10.505 -5.143 1.00 0.00 C ATOM 1233 O GLN A 81 2.830 -11.615 -5.666 1.00 0.00 O ATOM 1234 CB GLN A 81 4.764 -9.549 -3.976 1.00 0.00 C ATOM 1235 CG GLN A 81 3.899 -9.729 -2.727 1.00 0.00 C ATOM 1236 CD GLN A 81 4.727 -9.537 -1.454 1.00 0.00 C ATOM 1237 OE1 GLN A 81 4.023 -9.107 -0.411 1.00 0.00 O flip ATOM 1238 NE2 GLN A 81 5.925 -9.765 -1.422 1.00 0.00 N flip ATOM 0 H GLN A 81 3.353 -7.574 -4.657 1.00 0.00 H new ATOM 0 HA GLN A 81 4.534 -9.797 -6.079 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.482 -10.366 -4.046 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.339 -8.626 -3.895 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.078 -9.012 -2.743 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.454 -10.724 -2.729 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.404 -10.094 -2.260 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.447 -9.627 -0.557 1.00 0.00 H new ATOM 1247 N GLU A 82 1.687 -10.071 -4.472 1.00 0.00 N ATOM 1248 CA GLU A 82 0.513 -10.910 -4.301 1.00 0.00 C ATOM 1249 C GLU A 82 -0.082 -11.275 -5.663 1.00 0.00 C ATOM 1250 O GLU A 82 -0.588 -12.380 -5.847 1.00 0.00 O ATOM 1251 CB GLU A 82 -0.527 -10.223 -3.414 1.00 0.00 C ATOM 1252 CG GLU A 82 -0.146 -10.333 -1.936 1.00 0.00 C ATOM 1253 CD GLU A 82 -0.957 -11.429 -1.241 1.00 0.00 C ATOM 1254 OE1 GLU A 82 -2.202 -11.330 -1.289 1.00 0.00 O ATOM 1255 OE2 GLU A 82 -0.313 -12.340 -0.678 1.00 0.00 O ATOM 0 H GLU A 82 1.619 -9.149 -4.040 1.00 0.00 H new ATOM 0 HA GLU A 82 0.817 -11.830 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.612 -9.173 -3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.505 -10.677 -3.576 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.918 -10.551 -1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.319 -9.378 -1.440 1.00 0.00 H new ATOM 1262 N LYS A 83 -0.001 -10.324 -6.582 1.00 0.00 N ATOM 1263 CA LYS A 83 -0.525 -10.530 -7.921 1.00 0.00 C ATOM 1264 C LYS A 83 0.238 -11.675 -8.591 1.00 0.00 C ATOM 1265 O LYS A 83 -0.363 -12.659 -9.020 1.00 0.00 O ATOM 1266 CB LYS A 83 -0.496 -9.223 -8.716 1.00 0.00 C ATOM 1267 CG LYS A 83 -1.910 -8.781 -9.096 1.00 0.00 C ATOM 1268 CD LYS A 83 -1.915 -8.058 -10.444 1.00 0.00 C ATOM 1269 CE LYS A 83 -3.280 -7.427 -10.724 1.00 0.00 C ATOM 1270 NZ LYS A 83 -3.987 -8.172 -11.790 1.00 0.00 N ATOM 0 H LYS A 83 0.420 -9.408 -6.425 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.573 -10.826 -7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.014 -8.444 -8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.102 -9.355 -9.618 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.566 -9.650 -9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.309 -8.122 -8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.146 -7.286 -10.449 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.666 -8.761 -11.239 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.880 -7.426 -9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.152 -6.387 -11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.912 -7.730 -11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.421 -8.152 -12.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.126 -9.158 -11.491 1.00 0.00 H new ATOM 1284 N GLU A 84 1.550 -11.508 -8.660 1.00 0.00 N ATOM 1285 CA GLU A 84 2.401 -12.515 -9.271 1.00 0.00 C ATOM 1286 C GLU A 84 2.105 -13.893 -8.675 1.00 0.00 C ATOM 1287 O GLU A 84 1.751 -14.823 -9.398 1.00 0.00 O ATOM 1288 CB GLU A 84 3.879 -12.154 -9.111 1.00 0.00 C ATOM 1289 CG GLU A 84 4.506 -11.794 -10.459 1.00 0.00 C ATOM 1290 CD GLU A 84 5.289 -12.976 -11.033 1.00 0.00 C ATOM 1291 OE1 GLU A 84 4.629 -13.873 -11.600 1.00 0.00 O ATOM 1292 OE2 GLU A 84 6.531 -12.955 -10.892 1.00 0.00 O ATOM 0 H GLU A 84 2.045 -10.691 -8.303 1.00 0.00 H new ATOM 0 HA GLU A 84 2.183 -12.548 -10.338 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.979 -11.314 -8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.416 -12.993 -8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.725 -11.496 -11.159 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.170 -10.938 -10.338 1.00 0.00 H new ATOM 1299 N ASP A 85 2.261 -13.980 -7.362 1.00 0.00 N ATOM 1300 CA ASP A 85 2.015 -15.229 -6.661 1.00 0.00 C ATOM 1301 C ASP A 85 0.726 -15.860 -7.191 1.00 0.00 C ATOM 1302 O ASP A 85 0.567 -17.080 -7.154 1.00 0.00 O ATOM 1303 CB ASP A 85 1.843 -14.992 -5.159 1.00 0.00 C ATOM 1304 CG ASP A 85 2.991 -14.234 -4.489 1.00 0.00 C ATOM 1305 OD1 ASP A 85 4.121 -14.338 -5.012 1.00 0.00 O ATOM 1306 OD2 ASP A 85 2.711 -13.568 -3.469 1.00 0.00 O ATOM 0 H ASP A 85 2.555 -13.206 -6.765 1.00 0.00 H new ATOM 0 HA ASP A 85 2.870 -15.884 -6.827 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.918 -14.438 -4.997 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.727 -15.957 -4.665 1.00 0.00 H new ATOM 1311 N GLY A 86 -0.162 -15.002 -7.671 1.00 0.00 N ATOM 1312 CA GLY A 86 -1.432 -15.461 -8.207 1.00 0.00 C ATOM 1313 C GLY A 86 -1.256 -16.757 -9.001 1.00 0.00 C ATOM 1314 O GLY A 86 -2.073 -17.671 -8.894 1.00 0.00 O ATOM 0 H GLY A 86 -0.027 -13.991 -7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.138 -15.623 -7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.859 -14.691 -8.850 1.00 0.00 H new ATOM 1318 N LYS A 87 -0.184 -16.796 -9.780 1.00 0.00 N ATOM 1319 CA LYS A 87 0.110 -17.965 -10.591 1.00 0.00 C ATOM 1320 C LYS A 87 -1.192 -18.512 -11.180 1.00 0.00 C ATOM 1321 O LYS A 87 -1.689 -19.548 -10.740 1.00 0.00 O ATOM 1322 CB LYS A 87 0.899 -18.995 -9.781 1.00 0.00 C ATOM 1323 CG LYS A 87 2.251 -18.429 -9.343 1.00 0.00 C ATOM 1324 CD LYS A 87 3.112 -19.510 -8.688 1.00 0.00 C ATOM 1325 CE LYS A 87 4.475 -19.617 -9.375 1.00 0.00 C ATOM 1326 NZ LYS A 87 5.563 -19.626 -8.371 1.00 0.00 N ATOM 0 H LYS A 87 0.491 -16.036 -9.866 1.00 0.00 H new ATOM 0 HA LYS A 87 0.751 -17.695 -11.430 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.324 -19.291 -8.904 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.053 -19.893 -10.380 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.773 -18.017 -10.206 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.096 -17.609 -8.642 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.250 -19.279 -7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.598 -20.470 -8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.517 -20.527 -9.973 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.611 -18.779 -10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.481 -19.699 -8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.532 -18.746 -7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.441 -20.439 -7.734 1.00 0.00 H new ATOM 1340 N SER A 88 -1.707 -17.792 -12.165 1.00 0.00 N ATOM 1341 CA SER A 88 -2.942 -18.192 -12.819 1.00 0.00 C ATOM 1342 C SER A 88 -3.140 -17.385 -14.103 1.00 0.00 C ATOM 1343 O SER A 88 -3.769 -16.328 -14.085 1.00 0.00 O ATOM 1344 CB SER A 88 -4.142 -18.011 -11.887 1.00 0.00 C ATOM 1345 OG SER A 88 -5.050 -19.106 -11.967 1.00 0.00 O ATOM 0 H SER A 88 -1.292 -16.933 -12.527 1.00 0.00 H new ATOM 0 HA SER A 88 -2.868 -19.250 -13.071 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.791 -17.905 -10.860 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.663 -17.088 -12.142 1.00 0.00 H new ATOM 0 HG SER A 88 -5.801 -18.953 -11.356 1.00 0.00 H new ATOM 1351 N GLY A 89 -2.592 -17.913 -15.187 1.00 0.00 N ATOM 1352 CA GLY A 89 -2.700 -17.254 -16.477 1.00 0.00 C ATOM 1353 C GLY A 89 -4.166 -17.035 -16.859 1.00 0.00 C ATOM 1354 O GLY A 89 -5.049 -17.746 -16.382 1.00 0.00 O ATOM 0 H GLY A 89 -2.072 -18.790 -15.198 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.182 -16.296 -16.445 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.208 -17.857 -17.240 1.00 0.00 H new ATOM 1358 N PRO A 90 -4.385 -16.022 -17.739 1.00 0.00 N ATOM 1359 CA PRO A 90 -5.728 -15.700 -18.191 1.00 0.00 C ATOM 1360 C PRO A 90 -6.228 -16.733 -19.203 1.00 0.00 C ATOM 1361 O PRO A 90 -5.441 -17.503 -19.749 1.00 0.00 O ATOM 1362 CB PRO A 90 -5.622 -14.300 -18.774 1.00 0.00 C ATOM 1363 CG PRO A 90 -4.144 -14.074 -19.051 1.00 0.00 C ATOM 1364 CD PRO A 90 -3.363 -15.159 -18.326 1.00 0.00 C ATOM 0 HA PRO A 90 -6.461 -15.727 -17.385 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -6.209 -14.212 -19.689 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.007 -13.556 -18.076 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -3.946 -14.112 -20.122 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -3.837 -13.087 -18.705 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.724 -15.713 -19.013 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -2.715 -14.735 -17.559 1.00 0.00 H new ATOM 1372 N SER A 91 -7.535 -16.715 -19.421 1.00 0.00 N ATOM 1373 CA SER A 91 -8.150 -17.640 -20.357 1.00 0.00 C ATOM 1374 C SER A 91 -7.782 -17.255 -21.791 1.00 0.00 C ATOM 1375 O SER A 91 -7.289 -18.086 -22.554 1.00 0.00 O ATOM 1376 CB SER A 91 -9.671 -17.666 -20.188 1.00 0.00 C ATOM 1377 OG SER A 91 -10.088 -18.664 -19.261 1.00 0.00 O ATOM 0 H SER A 91 -8.185 -16.074 -18.965 1.00 0.00 H new ATOM 0 HA SER A 91 -7.771 -18.640 -20.147 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.015 -16.689 -19.848 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.140 -17.850 -21.155 1.00 0.00 H new ATOM 0 HG SER A 91 -11.064 -18.647 -19.180 1.00 0.00 H new ATOM 1383 N SER A 92 -8.035 -15.996 -22.116 1.00 0.00 N ATOM 1384 CA SER A 92 -7.737 -15.491 -23.445 1.00 0.00 C ATOM 1385 C SER A 92 -6.223 -15.456 -23.664 1.00 0.00 C ATOM 1386 O SER A 92 -5.493 -14.854 -22.879 1.00 0.00 O ATOM 1387 CB SER A 92 -8.336 -14.099 -23.653 1.00 0.00 C ATOM 1388 OG SER A 92 -9.107 -14.022 -24.849 1.00 0.00 O ATOM 0 H SER A 92 -8.443 -15.310 -21.481 1.00 0.00 H new ATOM 0 HA SER A 92 -8.188 -16.163 -24.175 1.00 0.00 H new ATOM 0 HB2 SER A 92 -8.964 -13.844 -22.800 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.534 -13.361 -23.691 1.00 0.00 H new ATOM 0 HG SER A 92 -9.473 -13.118 -24.944 1.00 0.00 H new ATOM 1394 N GLY A 93 -5.797 -16.109 -24.735 1.00 0.00 N ATOM 1395 CA GLY A 93 -4.383 -16.160 -25.067 1.00 0.00 C ATOM 1396 C GLY A 93 -3.622 -17.055 -24.086 1.00 0.00 C ATOM 1397 O GLY A 93 -2.409 -16.919 -23.929 1.00 0.00 O ATOM 0 H GLY A 93 -6.406 -16.607 -25.384 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.257 -16.537 -26.082 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.964 -15.154 -25.047 1.00 0.00 H new TER 1401 GLY A 93