USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 729 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 75 MET CE :methyl -145:sc= 0 (180deg=0) USER MOD Set 1.2: A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -168:sc= 0 (180deg=-0.0177) USER MOD Single : A 1 MET N :NH3+ 129:sc= 0.0369 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -118:sc= 0.25 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0013 X(o=-0.0013,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0259 X(o=-0.026,f=-0.094) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HE2:sc= -2.18 K(o=-2.2,f=-1.6) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl -158:sc= 0 (180deg=-0.543) USER MOD Single : A 68 GLN : amide:sc= -2.04 K(o=-2,f=-2.7!) USER MOD Single : A 76 THR OG1 : rot 60:sc= 1.1 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.125) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.896 -14.826 4.784 1.00 0.00 N ATOM 2 CA MET A 1 -16.993 -14.459 6.186 1.00 0.00 C ATOM 3 C MET A 1 -15.621 -14.506 6.862 1.00 0.00 C ATOM 4 O MET A 1 -14.769 -15.312 6.490 1.00 0.00 O ATOM 5 CB MET A 1 -17.947 -15.419 6.900 1.00 0.00 C ATOM 6 CG MET A 1 -19.375 -14.869 6.906 1.00 0.00 C ATOM 7 SD MET A 1 -19.865 -14.458 8.573 1.00 0.00 S ATOM 8 CE MET A 1 -19.317 -12.761 8.647 1.00 0.00 C ATOM 0 H1 MET A 1 -17.597 -15.564 4.569 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.081 -13.991 4.193 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.941 -15.187 4.585 1.00 0.00 H new ATOM 0 HA MET A 1 -17.374 -13.440 6.250 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.929 -16.390 6.405 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.610 -15.577 7.924 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.435 -13.984 6.272 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.060 -15.607 6.489 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.349 -12.413 9.679 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.296 -12.692 8.272 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.971 -12.140 8.034 1.00 0.00 H new ATOM 18 N SER A 2 -15.450 -13.632 7.843 1.00 0.00 N ATOM 19 CA SER A 2 -14.196 -13.564 8.574 1.00 0.00 C ATOM 20 C SER A 2 -13.060 -13.172 7.628 1.00 0.00 C ATOM 21 O SER A 2 -12.746 -13.906 6.692 1.00 0.00 O ATOM 22 CB SER A 2 -13.883 -14.897 9.256 1.00 0.00 C ATOM 23 OG SER A 2 -14.142 -14.854 10.657 1.00 0.00 O ATOM 0 H SER A 2 -16.159 -12.965 8.149 1.00 0.00 H new ATOM 0 HA SER A 2 -14.293 -12.804 9.350 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.481 -15.686 8.801 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.837 -15.153 9.088 1.00 0.00 H new ATOM 0 HG SER A 2 -13.931 -15.724 11.055 1.00 0.00 H new ATOM 29 N THR A 3 -12.474 -12.017 7.905 1.00 0.00 N ATOM 30 CA THR A 3 -11.379 -11.519 7.090 1.00 0.00 C ATOM 31 C THR A 3 -11.873 -11.181 5.682 1.00 0.00 C ATOM 32 O THR A 3 -11.944 -10.011 5.309 1.00 0.00 O ATOM 33 CB THR A 3 -10.262 -12.565 7.108 1.00 0.00 C ATOM 34 OG1 THR A 3 -9.916 -12.679 8.485 1.00 0.00 O ATOM 35 CG2 THR A 3 -8.979 -12.063 6.441 1.00 0.00 C ATOM 0 H THR A 3 -12.737 -11.411 8.683 1.00 0.00 H new ATOM 0 HA THR A 3 -10.978 -10.588 7.492 1.00 0.00 H new ATOM 0 HB THR A 3 -10.603 -13.469 6.604 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.199 -13.339 8.589 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.219 -12.843 6.481 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.185 -11.810 5.401 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.618 -11.178 6.965 1.00 0.00 H new ATOM 43 N ASP A 4 -12.201 -12.227 4.938 1.00 0.00 N ATOM 44 CA ASP A 4 -12.686 -12.056 3.579 1.00 0.00 C ATOM 45 C ASP A 4 -11.594 -11.401 2.731 1.00 0.00 C ATOM 46 O ASP A 4 -10.787 -10.626 3.241 1.00 0.00 O ATOM 47 CB ASP A 4 -13.918 -11.150 3.544 1.00 0.00 C ATOM 48 CG ASP A 4 -14.764 -11.258 2.274 1.00 0.00 C ATOM 49 OD1 ASP A 4 -14.701 -12.261 1.547 1.00 0.00 O ATOM 50 OD2 ASP A 4 -15.524 -10.243 2.037 1.00 0.00 O ATOM 0 H ASP A 4 -12.140 -13.196 5.251 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.950 -13.039 3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -14.547 -11.384 4.403 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -13.593 -10.116 3.659 1.00 0.00 H new ATOM 55 N THR A 5 -11.603 -11.738 1.449 1.00 0.00 N ATOM 56 CA THR A 5 -10.623 -11.193 0.525 1.00 0.00 C ATOM 57 C THR A 5 -11.301 -10.266 -0.485 1.00 0.00 C ATOM 58 O THR A 5 -10.664 -9.367 -1.033 1.00 0.00 O ATOM 59 CB THR A 5 -9.883 -12.364 -0.125 1.00 0.00 C ATOM 60 OG1 THR A 5 -9.103 -11.756 -1.150 1.00 0.00 O ATOM 61 CG2 THR A 5 -10.825 -13.303 -0.882 1.00 0.00 C ATOM 0 H THR A 5 -12.274 -12.382 1.029 1.00 0.00 H new ATOM 0 HA THR A 5 -9.890 -10.576 1.044 1.00 0.00 H new ATOM 0 HB THR A 5 -9.348 -12.925 0.641 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.589 -12.444 -1.622 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.250 -14.116 -1.324 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.562 -13.713 -0.192 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.335 -12.749 -1.670 1.00 0.00 H new ATOM 69 N GLY A 6 -12.584 -10.516 -0.702 1.00 0.00 N ATOM 70 CA GLY A 6 -13.355 -9.715 -1.637 1.00 0.00 C ATOM 71 C GLY A 6 -12.947 -10.014 -3.081 1.00 0.00 C ATOM 72 O GLY A 6 -12.590 -9.106 -3.830 1.00 0.00 O ATOM 0 H GLY A 6 -13.109 -11.262 -0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -14.418 -9.919 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -13.205 -8.656 -1.425 1.00 0.00 H new ATOM 76 N VAL A 7 -13.015 -11.291 -3.429 1.00 0.00 N ATOM 77 CA VAL A 7 -12.657 -11.720 -4.770 1.00 0.00 C ATOM 78 C VAL A 7 -13.339 -10.808 -5.792 1.00 0.00 C ATOM 79 O VAL A 7 -12.736 -10.437 -6.798 1.00 0.00 O ATOM 80 CB VAL A 7 -13.010 -13.197 -4.958 1.00 0.00 C ATOM 81 CG1 VAL A 7 -14.512 -13.429 -4.781 1.00 0.00 C ATOM 82 CG2 VAL A 7 -12.533 -13.706 -6.320 1.00 0.00 C ATOM 0 H VAL A 7 -13.313 -12.042 -2.806 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.581 -11.634 -4.924 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.490 -13.766 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -14.736 -14.487 -4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.812 -13.123 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.060 -12.842 -5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -12.796 -14.758 -6.428 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -13.011 -13.129 -7.112 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.451 -13.594 -6.392 1.00 0.00 H new ATOM 92 N SER A 8 -14.587 -10.474 -5.499 1.00 0.00 N ATOM 93 CA SER A 8 -15.357 -9.612 -6.380 1.00 0.00 C ATOM 94 C SER A 8 -14.576 -8.329 -6.672 1.00 0.00 C ATOM 95 O SER A 8 -14.285 -8.024 -7.827 1.00 0.00 O ATOM 96 CB SER A 8 -16.719 -9.277 -5.770 1.00 0.00 C ATOM 97 OG SER A 8 -17.746 -9.218 -6.756 1.00 0.00 O ATOM 0 H SER A 8 -15.084 -10.784 -4.664 1.00 0.00 H new ATOM 0 HA SER A 8 -15.529 -10.145 -7.315 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.976 -10.028 -5.023 1.00 0.00 H new ATOM 0 HB3 SER A 8 -16.659 -8.320 -5.252 1.00 0.00 H new ATOM 0 HG SER A 8 -18.600 -9.003 -6.326 1.00 0.00 H new ATOM 103 N LEU A 9 -14.258 -7.612 -5.604 1.00 0.00 N ATOM 104 CA LEU A 9 -13.516 -6.369 -5.730 1.00 0.00 C ATOM 105 C LEU A 9 -14.353 -5.359 -6.517 1.00 0.00 C ATOM 106 O LEU A 9 -15.072 -5.730 -7.444 1.00 0.00 O ATOM 107 CB LEU A 9 -12.136 -6.629 -6.337 1.00 0.00 C ATOM 108 CG LEU A 9 -10.960 -5.926 -5.654 1.00 0.00 C ATOM 109 CD1 LEU A 9 -9.956 -6.943 -5.108 1.00 0.00 C ATOM 110 CD2 LEU A 9 -10.301 -4.918 -6.598 1.00 0.00 C ATOM 0 H LEU A 9 -14.501 -7.868 -4.647 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.330 -5.934 -4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.950 -7.703 -6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.158 -6.324 -7.383 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.344 -5.365 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.130 -6.418 -4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.449 -7.586 -4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.572 -7.551 -5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.469 -4.433 -6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.932 -5.436 -7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.032 -4.166 -6.896 1.00 0.00 H new ATOM 122 N PRO A 10 -14.230 -4.068 -6.108 1.00 0.00 N ATOM 123 CA PRO A 10 -14.967 -3.001 -6.764 1.00 0.00 C ATOM 124 C PRO A 10 -14.351 -2.665 -8.123 1.00 0.00 C ATOM 125 O PRO A 10 -15.063 -2.549 -9.120 1.00 0.00 O ATOM 126 CB PRO A 10 -14.924 -1.836 -5.788 1.00 0.00 C ATOM 127 CG PRO A 10 -13.779 -2.133 -4.834 1.00 0.00 C ATOM 128 CD PRO A 10 -13.389 -3.591 -5.014 1.00 0.00 C ATOM 0 HA PRO A 10 -15.997 -3.277 -6.989 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.762 -0.894 -6.312 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -15.867 -1.743 -5.249 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.930 -1.482 -5.042 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.081 -1.943 -3.804 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.331 -3.691 -5.256 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.563 -4.163 -4.103 1.00 0.00 H new ATOM 136 N SER A 11 -13.034 -2.518 -8.121 1.00 0.00 N ATOM 137 CA SER A 11 -12.314 -2.198 -9.342 1.00 0.00 C ATOM 138 C SER A 11 -12.615 -3.245 -10.416 1.00 0.00 C ATOM 139 O SER A 11 -13.113 -4.327 -10.111 1.00 0.00 O ATOM 140 CB SER A 11 -10.808 -2.116 -9.088 1.00 0.00 C ATOM 141 OG SER A 11 -10.231 -0.949 -9.667 1.00 0.00 O ATOM 0 H SER A 11 -12.447 -2.615 -7.293 1.00 0.00 H new ATOM 0 HA SER A 11 -12.650 -1.221 -9.691 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.621 -2.118 -8.014 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.323 -3.002 -9.498 1.00 0.00 H new ATOM 0 HG SER A 11 -9.569 -1.211 -10.341 1.00 0.00 H new ATOM 147 N TYR A 12 -12.299 -2.886 -11.652 1.00 0.00 N ATOM 148 CA TYR A 12 -12.528 -3.781 -12.773 1.00 0.00 C ATOM 149 C TYR A 12 -11.319 -3.808 -13.710 1.00 0.00 C ATOM 150 O TYR A 12 -10.989 -2.800 -14.333 1.00 0.00 O ATOM 151 CB TYR A 12 -13.731 -3.211 -13.528 1.00 0.00 C ATOM 152 CG TYR A 12 -14.427 -4.220 -14.444 1.00 0.00 C ATOM 153 CD1 TYR A 12 -15.412 -5.045 -13.939 1.00 0.00 C ATOM 154 CD2 TYR A 12 -14.070 -4.306 -15.774 1.00 0.00 C ATOM 155 CE1 TYR A 12 -16.067 -5.995 -14.800 1.00 0.00 C ATOM 156 CE2 TYR A 12 -14.725 -5.256 -16.635 1.00 0.00 C ATOM 157 CZ TYR A 12 -15.691 -6.053 -16.106 1.00 0.00 C ATOM 158 OH TYR A 12 -16.309 -6.951 -16.919 1.00 0.00 O ATOM 0 H TYR A 12 -11.886 -1.987 -11.901 1.00 0.00 H new ATOM 0 HA TYR A 12 -12.698 -4.799 -12.423 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -14.454 -2.833 -12.806 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -13.402 -2.360 -14.125 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -15.691 -4.978 -12.898 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -13.299 -3.661 -16.169 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -16.839 -6.646 -14.418 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -14.455 -5.334 -17.678 1.00 0.00 H new ATOM 0 HH TYR A 12 -15.940 -6.880 -17.824 1.00 0.00 H new ATOM 168 N GLU A 13 -10.691 -4.973 -13.780 1.00 0.00 N ATOM 169 CA GLU A 13 -9.525 -5.144 -14.630 1.00 0.00 C ATOM 170 C GLU A 13 -9.068 -6.604 -14.616 1.00 0.00 C ATOM 171 O GLU A 13 -8.869 -7.186 -13.550 1.00 0.00 O ATOM 172 CB GLU A 13 -8.392 -4.210 -14.202 1.00 0.00 C ATOM 173 CG GLU A 13 -7.910 -4.546 -12.789 1.00 0.00 C ATOM 174 CD GLU A 13 -7.545 -3.275 -12.018 1.00 0.00 C ATOM 175 OE1 GLU A 13 -8.438 -2.585 -11.504 1.00 0.00 O ATOM 176 OE2 GLU A 13 -6.283 -3.015 -11.962 1.00 0.00 O ATOM 0 H GLU A 13 -10.968 -5.807 -13.262 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.802 -4.880 -15.651 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.562 -4.294 -14.903 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.735 -3.176 -14.237 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.689 -5.089 -12.254 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.043 -5.204 -12.843 1.00 0.00 H new ATOM 183 N GLU A 14 -8.915 -7.155 -15.811 1.00 0.00 N ATOM 184 CA GLU A 14 -8.485 -8.536 -15.949 1.00 0.00 C ATOM 185 C GLU A 14 -9.495 -9.475 -15.288 1.00 0.00 C ATOM 186 O GLU A 14 -9.798 -9.333 -14.104 1.00 0.00 O ATOM 187 CB GLU A 14 -7.086 -8.736 -15.364 1.00 0.00 C ATOM 188 CG GLU A 14 -6.007 -8.366 -16.383 1.00 0.00 C ATOM 189 CD GLU A 14 -5.351 -7.030 -16.028 1.00 0.00 C ATOM 190 OE1 GLU A 14 -5.420 -6.594 -14.869 1.00 0.00 O ATOM 191 OE2 GLU A 14 -4.753 -6.439 -17.006 1.00 0.00 O ATOM 0 H GLU A 14 -9.081 -6.670 -16.693 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.436 -8.776 -17.011 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.971 -8.124 -14.469 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.961 -9.775 -15.058 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.250 -9.149 -16.416 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.447 -8.306 -17.378 1.00 0.00 H new ATOM 198 N ASP A 15 -9.990 -10.414 -16.082 1.00 0.00 N ATOM 199 CA ASP A 15 -10.960 -11.377 -15.588 1.00 0.00 C ATOM 200 C ASP A 15 -10.224 -12.597 -15.033 1.00 0.00 C ATOM 201 O ASP A 15 -10.070 -13.602 -15.726 1.00 0.00 O ATOM 202 CB ASP A 15 -11.884 -11.852 -16.710 1.00 0.00 C ATOM 203 CG ASP A 15 -13.307 -11.291 -16.658 1.00 0.00 C ATOM 204 OD1 ASP A 15 -13.908 -11.176 -15.580 1.00 0.00 O ATOM 205 OD2 ASP A 15 -13.805 -10.961 -17.801 1.00 0.00 O ATOM 0 H ASP A 15 -9.737 -10.528 -17.064 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.553 -10.891 -14.813 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.438 -11.581 -17.667 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.937 -12.940 -16.680 1.00 0.00 H new ATOM 210 N GLN A 16 -9.788 -12.470 -13.788 1.00 0.00 N ATOM 211 CA GLN A 16 -9.071 -13.551 -13.132 1.00 0.00 C ATOM 212 C GLN A 16 -8.552 -13.092 -11.768 1.00 0.00 C ATOM 213 O GLN A 16 -7.344 -13.053 -11.541 1.00 0.00 O ATOM 214 CB GLN A 16 -7.928 -14.063 -14.010 1.00 0.00 C ATOM 215 CG GLN A 16 -7.970 -15.588 -14.132 1.00 0.00 C ATOM 216 CD GLN A 16 -7.610 -16.034 -15.550 1.00 0.00 C ATOM 217 OE1 GLN A 16 -6.502 -15.849 -16.025 1.00 0.00 O ATOM 218 NE2 GLN A 16 -8.606 -16.631 -16.199 1.00 0.00 N ATOM 0 H GLN A 16 -9.917 -11.635 -13.216 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.763 -14.378 -12.976 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.996 -13.613 -15.001 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.973 -13.755 -13.585 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.275 -16.033 -13.420 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.965 -15.950 -13.875 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.510 -16.755 -15.743 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.466 -16.965 -17.152 1.00 0.00 H new ATOM 227 N GLY A 17 -9.491 -12.757 -10.895 1.00 0.00 N ATOM 228 CA GLY A 17 -9.143 -12.302 -9.560 1.00 0.00 C ATOM 229 C GLY A 17 -7.972 -13.108 -8.994 1.00 0.00 C ATOM 230 O GLY A 17 -6.927 -12.546 -8.669 1.00 0.00 O ATOM 0 H GLY A 17 -10.492 -12.792 -11.086 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.881 -11.244 -9.589 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.007 -12.398 -8.902 1.00 0.00 H new ATOM 234 N SER A 18 -8.186 -14.412 -8.893 1.00 0.00 N ATOM 235 CA SER A 18 -7.161 -15.300 -8.372 1.00 0.00 C ATOM 236 C SER A 18 -5.803 -14.948 -8.983 1.00 0.00 C ATOM 237 O SER A 18 -4.808 -14.837 -8.269 1.00 0.00 O ATOM 238 CB SER A 18 -7.506 -16.764 -8.654 1.00 0.00 C ATOM 239 OG SER A 18 -7.419 -17.568 -7.481 1.00 0.00 O ATOM 0 H SER A 18 -9.054 -14.874 -9.163 1.00 0.00 H new ATOM 0 HA SER A 18 -7.111 -15.168 -7.291 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.515 -16.827 -9.063 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.830 -17.156 -9.413 1.00 0.00 H new ATOM 0 HG SER A 18 -7.648 -18.495 -7.702 1.00 0.00 H new ATOM 245 N LYS A 19 -5.807 -14.781 -10.297 1.00 0.00 N ATOM 246 CA LYS A 19 -4.588 -14.444 -11.012 1.00 0.00 C ATOM 247 C LYS A 19 -3.996 -13.160 -10.425 1.00 0.00 C ATOM 248 O LYS A 19 -2.794 -13.084 -10.175 1.00 0.00 O ATOM 249 CB LYS A 19 -4.852 -14.367 -12.517 1.00 0.00 C ATOM 250 CG LYS A 19 -3.595 -14.719 -13.313 1.00 0.00 C ATOM 251 CD LYS A 19 -3.681 -16.141 -13.873 1.00 0.00 C ATOM 252 CE LYS A 19 -2.436 -16.951 -13.505 1.00 0.00 C ATOM 253 NZ LYS A 19 -1.555 -17.111 -14.683 1.00 0.00 N ATOM 0 H LYS A 19 -6.635 -14.873 -10.885 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.842 -15.228 -10.883 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.659 -15.050 -12.784 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.184 -13.363 -12.781 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.467 -14.009 -14.131 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.718 -14.629 -12.673 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.570 -16.636 -13.483 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.787 -16.103 -14.957 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.893 -16.451 -12.703 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.730 -17.930 -13.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.715 -17.663 -14.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.071 -17.608 -15.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.259 -16.174 -15.025 1.00 0.00 H new ATOM 267 N LEU A 20 -4.869 -12.184 -10.221 1.00 0.00 N ATOM 268 CA LEU A 20 -4.448 -10.908 -9.669 1.00 0.00 C ATOM 269 C LEU A 20 -3.903 -11.124 -8.255 1.00 0.00 C ATOM 270 O LEU A 20 -3.097 -10.332 -7.769 1.00 0.00 O ATOM 271 CB LEU A 20 -5.589 -9.891 -9.739 1.00 0.00 C ATOM 272 CG LEU A 20 -5.865 -9.287 -11.117 1.00 0.00 C ATOM 273 CD1 LEU A 20 -7.316 -9.528 -11.540 1.00 0.00 C ATOM 274 CD2 LEU A 20 -5.499 -7.802 -11.148 1.00 0.00 C ATOM 0 H LEU A 20 -5.865 -12.252 -10.428 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.638 -10.485 -10.263 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.501 -10.373 -9.386 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.369 -9.079 -9.046 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.229 -9.791 -11.845 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.486 -9.089 -12.523 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.509 -10.600 -11.583 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.988 -9.067 -10.816 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.705 -7.397 -12.139 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.091 -7.266 -10.407 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.440 -7.684 -10.921 1.00 0.00 H new ATOM 286 N ILE A 21 -4.364 -12.200 -7.636 1.00 0.00 N ATOM 287 CA ILE A 21 -3.932 -12.530 -6.288 1.00 0.00 C ATOM 288 C ILE A 21 -2.641 -13.348 -6.357 1.00 0.00 C ATOM 289 O ILE A 21 -1.899 -13.426 -5.379 1.00 0.00 O ATOM 290 CB ILE A 21 -5.059 -13.224 -5.520 1.00 0.00 C ATOM 291 CG1 ILE A 21 -6.261 -12.293 -5.350 1.00 0.00 C ATOM 292 CG2 ILE A 21 -4.557 -13.762 -4.178 1.00 0.00 C ATOM 293 CD1 ILE A 21 -7.560 -13.091 -5.225 1.00 0.00 C ATOM 0 H ILE A 21 -5.032 -12.855 -8.042 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.706 -11.623 -5.727 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.395 -14.080 -6.105 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.124 -11.674 -4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.326 -11.618 -6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.377 -14.250 -3.652 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.757 -14.482 -4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.179 -12.937 -3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.398 -12.405 -5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.707 -13.690 -6.124 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.502 -13.748 -4.357 1.00 0.00 H new ATOM 305 N ARG A 22 -2.411 -13.936 -7.522 1.00 0.00 N ATOM 306 CA ARG A 22 -1.222 -14.744 -7.730 1.00 0.00 C ATOM 307 C ARG A 22 0.015 -13.851 -7.838 1.00 0.00 C ATOM 308 O ARG A 22 0.925 -13.942 -7.015 1.00 0.00 O ATOM 309 CB ARG A 22 -1.346 -15.588 -9.001 1.00 0.00 C ATOM 310 CG ARG A 22 -1.903 -16.977 -8.685 1.00 0.00 C ATOM 311 CD ARG A 22 -1.709 -17.928 -9.868 1.00 0.00 C ATOM 312 NE ARG A 22 -0.499 -18.754 -9.660 1.00 0.00 N ATOM 313 CZ ARG A 22 0.177 -19.371 -10.653 1.00 0.00 C ATOM 314 NH1 ARG A 22 -0.235 -19.259 -11.934 1.00 0.00 N ATOM 315 NH2 ARG A 22 1.246 -20.085 -10.352 1.00 0.00 N ATOM 0 H ARG A 22 -3.028 -13.869 -8.331 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.119 -15.410 -6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.999 -15.084 -9.714 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.369 -15.683 -9.475 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.404 -17.381 -7.804 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.963 -16.901 -8.445 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.583 -18.570 -9.976 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.616 -17.358 -10.792 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.154 -18.864 -8.707 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.062 -18.705 -12.157 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.281 -19.728 -12.679 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.550 -20.164 -9.381 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.768 -20.557 -11.090 1.00 0.00 H new ATOM 329 N LYS A 23 0.009 -13.007 -8.859 1.00 0.00 N ATOM 330 CA LYS A 23 1.120 -12.098 -9.085 1.00 0.00 C ATOM 331 C LYS A 23 2.426 -12.894 -9.123 1.00 0.00 C ATOM 332 O LYS A 23 2.406 -14.121 -9.200 1.00 0.00 O ATOM 333 CB LYS A 23 1.114 -10.976 -8.045 1.00 0.00 C ATOM 334 CG LYS A 23 1.171 -9.603 -8.719 1.00 0.00 C ATOM 335 CD LYS A 23 -0.144 -9.287 -9.434 1.00 0.00 C ATOM 336 CE LYS A 23 0.061 -9.207 -10.948 1.00 0.00 C ATOM 337 NZ LYS A 23 -1.165 -8.709 -11.611 1.00 0.00 N ATOM 0 H LYS A 23 -0.748 -12.933 -9.539 1.00 0.00 H new ATOM 0 HA LYS A 23 1.018 -11.606 -10.052 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.215 -11.048 -7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.966 -11.092 -7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.376 -8.836 -7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.993 -9.579 -9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.881 -10.056 -9.203 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.544 -8.342 -9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.898 -8.546 -11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.319 -10.191 -11.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.009 -8.661 -12.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.955 -9.355 -11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.394 -7.761 -11.251 1.00 0.00 H new ATOM 351 N ALA A 24 3.529 -12.163 -9.067 1.00 0.00 N ATOM 352 CA ALA A 24 4.841 -12.785 -9.094 1.00 0.00 C ATOM 353 C ALA A 24 5.205 -13.260 -7.686 1.00 0.00 C ATOM 354 O ALA A 24 4.875 -12.602 -6.701 1.00 0.00 O ATOM 355 CB ALA A 24 5.864 -11.797 -9.659 1.00 0.00 C ATOM 0 H ALA A 24 3.541 -11.145 -9.003 1.00 0.00 H new ATOM 0 HA ALA A 24 4.838 -13.659 -9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.849 -12.264 -9.679 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.576 -11.514 -10.671 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.897 -10.908 -9.029 1.00 0.00 H new ATOM 361 N LYS A 25 5.882 -14.398 -7.636 1.00 0.00 N ATOM 362 CA LYS A 25 6.294 -14.968 -6.364 1.00 0.00 C ATOM 363 C LYS A 25 5.093 -15.015 -5.418 1.00 0.00 C ATOM 364 O LYS A 25 3.960 -14.780 -5.835 1.00 0.00 O ATOM 365 CB LYS A 25 7.493 -14.204 -5.799 1.00 0.00 C ATOM 366 CG LYS A 25 8.755 -15.069 -5.824 1.00 0.00 C ATOM 367 CD LYS A 25 9.398 -15.061 -7.212 1.00 0.00 C ATOM 368 CE LYS A 25 9.738 -16.481 -7.668 1.00 0.00 C ATOM 369 NZ LYS A 25 11.092 -16.525 -8.262 1.00 0.00 N ATOM 0 H LYS A 25 6.155 -14.941 -8.455 1.00 0.00 H new ATOM 0 HA LYS A 25 6.634 -15.995 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.658 -13.297 -6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.281 -13.893 -4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.468 -14.700 -5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.505 -16.092 -5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.719 -14.598 -7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.304 -14.455 -7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.684 -17.164 -6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.003 -16.820 -8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.306 -17.496 -8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.132 -15.888 -9.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.791 -16.221 -7.555 1.00 0.00 H new ATOM 383 N GLU A 26 5.382 -15.319 -4.161 1.00 0.00 N ATOM 384 CA GLU A 26 4.339 -15.400 -3.152 1.00 0.00 C ATOM 385 C GLU A 26 4.290 -14.107 -2.335 1.00 0.00 C ATOM 386 O GLU A 26 5.061 -13.935 -1.392 1.00 0.00 O ATOM 387 CB GLU A 26 4.547 -16.614 -2.245 1.00 0.00 C ATOM 388 CG GLU A 26 3.471 -17.673 -2.490 1.00 0.00 C ATOM 389 CD GLU A 26 3.396 -18.660 -1.324 1.00 0.00 C ATOM 390 OE1 GLU A 26 3.160 -18.128 -0.173 1.00 0.00 O ATOM 391 OE2 GLU A 26 3.560 -19.873 -1.526 1.00 0.00 O ATOM 0 H GLU A 26 6.323 -15.512 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 26 3.381 -15.525 -3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.532 -17.043 -2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.523 -16.301 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.504 -17.189 -2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.689 -18.211 -3.413 1.00 0.00 H new ATOM 398 N ALA A 27 3.376 -13.232 -2.727 1.00 0.00 N ATOM 399 CA ALA A 27 3.216 -11.960 -2.043 1.00 0.00 C ATOM 400 C ALA A 27 4.594 -11.405 -1.678 1.00 0.00 C ATOM 401 O ALA A 27 4.918 -11.261 -0.500 1.00 0.00 O ATOM 402 CB ALA A 27 2.320 -12.149 -0.817 1.00 0.00 C ATOM 0 H ALA A 27 2.738 -13.379 -3.510 1.00 0.00 H new ATOM 0 HA ALA A 27 2.730 -11.233 -2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.200 -11.195 -0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.344 -12.517 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.777 -12.870 -0.140 1.00 0.00 H new ATOM 408 N PRO A 28 5.390 -11.101 -2.738 1.00 0.00 N ATOM 409 CA PRO A 28 6.726 -10.565 -2.541 1.00 0.00 C ATOM 410 C PRO A 28 6.671 -9.096 -2.116 1.00 0.00 C ATOM 411 O PRO A 28 5.748 -8.373 -2.489 1.00 0.00 O ATOM 412 CB PRO A 28 7.433 -10.773 -3.870 1.00 0.00 C ATOM 413 CG PRO A 28 6.334 -10.989 -4.898 1.00 0.00 C ATOM 414 CD PRO A 28 5.040 -11.258 -4.147 1.00 0.00 C ATOM 0 HA PRO A 28 7.265 -11.064 -1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.044 -9.907 -4.127 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.101 -11.633 -3.826 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.230 -10.111 -5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 28 6.579 -11.828 -5.549 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.258 -10.558 -4.441 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.664 -12.260 -4.352 1.00 0.00 H new ATOM 422 N PHE A 29 7.670 -8.699 -1.342 1.00 0.00 N ATOM 423 CA PHE A 29 7.747 -7.329 -0.863 1.00 0.00 C ATOM 424 C PHE A 29 8.586 -6.465 -1.806 1.00 0.00 C ATOM 425 O PHE A 29 8.432 -5.245 -1.837 1.00 0.00 O ATOM 426 CB PHE A 29 8.423 -7.372 0.508 1.00 0.00 C ATOM 427 CG PHE A 29 8.316 -6.066 1.297 1.00 0.00 C ATOM 428 CD1 PHE A 29 9.152 -5.031 1.015 1.00 0.00 C ATOM 429 CD2 PHE A 29 7.384 -5.939 2.279 1.00 0.00 C ATOM 430 CE1 PHE A 29 9.052 -3.818 1.747 1.00 0.00 C ATOM 431 CE2 PHE A 29 7.284 -4.726 3.011 1.00 0.00 C ATOM 432 CZ PHE A 29 8.120 -3.691 2.729 1.00 0.00 C ATOM 0 H PHE A 29 8.433 -9.302 -1.034 1.00 0.00 H new ATOM 0 HA PHE A 29 6.748 -6.896 -0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.979 -8.176 1.095 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.476 -7.618 0.374 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.892 -5.131 0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.720 -6.761 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.716 -2.996 1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.544 -4.626 3.791 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.044 -2.768 3.285 1.00 0.00 H new ATOM 442 N VAL A 30 9.456 -7.131 -2.551 1.00 0.00 N ATOM 443 CA VAL A 30 10.320 -6.438 -3.492 1.00 0.00 C ATOM 444 C VAL A 30 9.477 -5.499 -4.356 1.00 0.00 C ATOM 445 O VAL A 30 9.798 -4.319 -4.493 1.00 0.00 O ATOM 446 CB VAL A 30 11.117 -7.453 -4.314 1.00 0.00 C ATOM 447 CG1 VAL A 30 11.177 -7.039 -5.786 1.00 0.00 C ATOM 448 CG2 VAL A 30 12.523 -7.641 -3.740 1.00 0.00 C ATOM 0 H VAL A 30 9.581 -8.143 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 30 11.048 -5.825 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 30 10.601 -8.411 -4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.749 -7.777 -6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.166 -6.980 -6.189 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.659 -6.065 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.068 -8.367 -4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.052 -6.688 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.452 -8.002 -2.714 1.00 0.00 H new ATOM 458 N PRO A 31 8.386 -6.071 -4.931 1.00 0.00 N ATOM 459 CA PRO A 31 7.494 -5.298 -5.778 1.00 0.00 C ATOM 460 C PRO A 31 6.609 -4.372 -4.941 1.00 0.00 C ATOM 461 O PRO A 31 6.044 -3.410 -5.461 1.00 0.00 O ATOM 462 CB PRO A 31 6.700 -6.331 -6.560 1.00 0.00 C ATOM 463 CG PRO A 31 6.843 -7.636 -5.793 1.00 0.00 C ATOM 464 CD PRO A 31 7.974 -7.465 -4.792 1.00 0.00 C ATOM 0 HA PRO A 31 8.029 -4.631 -6.454 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.653 -6.039 -6.642 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.083 -6.431 -7.576 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.913 -7.882 -5.280 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.058 -8.459 -6.475 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.640 -7.680 -3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.799 -8.145 -5.007 1.00 0.00 H new ATOM 472 N VAL A 32 6.516 -4.694 -3.660 1.00 0.00 N ATOM 473 CA VAL A 32 5.710 -3.903 -2.746 1.00 0.00 C ATOM 474 C VAL A 32 6.443 -2.599 -2.423 1.00 0.00 C ATOM 475 O VAL A 32 5.821 -1.545 -2.308 1.00 0.00 O ATOM 476 CB VAL A 32 5.374 -4.724 -1.499 1.00 0.00 C ATOM 477 CG1 VAL A 32 4.592 -3.886 -0.485 1.00 0.00 C ATOM 478 CG2 VAL A 32 4.605 -5.994 -1.870 1.00 0.00 C ATOM 0 H VAL A 32 6.986 -5.492 -3.233 1.00 0.00 H new ATOM 0 HA VAL A 32 4.760 -3.636 -3.209 1.00 0.00 H new ATOM 0 HB VAL A 32 6.312 -5.024 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.366 -4.493 0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.190 -3.025 -0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.662 -3.542 -0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.379 -6.559 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.676 -5.723 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.212 -6.605 -2.538 1.00 0.00 H new ATOM 488 N GLY A 33 7.756 -2.714 -2.287 1.00 0.00 N ATOM 489 CA GLY A 33 8.581 -1.558 -1.980 1.00 0.00 C ATOM 490 C GLY A 33 8.790 -0.688 -3.221 1.00 0.00 C ATOM 491 O GLY A 33 8.611 0.528 -3.168 1.00 0.00 O ATOM 0 H GLY A 33 8.269 -3.590 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.109 -0.969 -1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.546 -1.887 -1.596 1.00 0.00 H new ATOM 495 N ILE A 34 9.165 -1.345 -4.308 1.00 0.00 N ATOM 496 CA ILE A 34 9.400 -0.647 -5.561 1.00 0.00 C ATOM 497 C ILE A 34 8.092 -0.014 -6.040 1.00 0.00 C ATOM 498 O ILE A 34 8.020 1.198 -6.234 1.00 0.00 O ATOM 499 CB ILE A 34 10.040 -1.586 -6.585 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.405 -2.079 -6.100 1.00 0.00 C ATOM 501 CG2 ILE A 34 10.128 -0.919 -7.960 1.00 0.00 C ATOM 502 CD1 ILE A 34 12.505 -1.071 -6.440 1.00 0.00 C ATOM 0 H ILE A 34 9.312 -2.354 -4.348 1.00 0.00 H new ATOM 0 HA ILE A 34 10.113 0.164 -5.417 1.00 0.00 H new ATOM 0 HB ILE A 34 9.400 -2.462 -6.691 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.375 -2.241 -5.022 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.633 -3.040 -6.560 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.587 -1.608 -8.670 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.127 -0.658 -8.303 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.733 -0.015 -7.888 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.465 -1.446 -6.084 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.548 -0.930 -7.520 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.287 -0.118 -5.958 1.00 0.00 H new ATOM 514 N ALA A 35 7.091 -0.863 -6.217 1.00 0.00 N ATOM 515 CA ALA A 35 5.789 -0.402 -6.670 1.00 0.00 C ATOM 516 C ALA A 35 5.201 0.552 -5.628 1.00 0.00 C ATOM 517 O ALA A 35 4.861 1.691 -5.946 1.00 0.00 O ATOM 518 CB ALA A 35 4.884 -1.607 -6.934 1.00 0.00 C ATOM 0 H ALA A 35 7.155 -1.868 -6.055 1.00 0.00 H new ATOM 0 HA ALA A 35 5.880 0.148 -7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.908 -1.261 -7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.333 -2.238 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.766 -2.182 -6.015 1.00 0.00 H new ATOM 524 N GLY A 36 5.098 0.052 -4.406 1.00 0.00 N ATOM 525 CA GLY A 36 4.556 0.846 -3.316 1.00 0.00 C ATOM 526 C GLY A 36 5.071 2.285 -3.377 1.00 0.00 C ATOM 527 O GLY A 36 4.293 3.232 -3.272 1.00 0.00 O ATOM 0 H GLY A 36 5.381 -0.893 -4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.467 0.843 -3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.833 0.397 -2.362 1.00 0.00 H new ATOM 531 N PHE A 37 6.380 2.405 -3.547 1.00 0.00 N ATOM 532 CA PHE A 37 7.008 3.713 -3.624 1.00 0.00 C ATOM 533 C PHE A 37 6.546 4.471 -4.871 1.00 0.00 C ATOM 534 O PHE A 37 6.249 5.662 -4.802 1.00 0.00 O ATOM 535 CB PHE A 37 8.517 3.480 -3.713 1.00 0.00 C ATOM 536 CG PHE A 37 9.357 4.731 -3.450 1.00 0.00 C ATOM 537 CD1 PHE A 37 9.264 5.374 -2.255 1.00 0.00 C ATOM 538 CD2 PHE A 37 10.196 5.202 -4.411 1.00 0.00 C ATOM 539 CE1 PHE A 37 10.043 6.535 -2.011 1.00 0.00 C ATOM 540 CE2 PHE A 37 10.975 6.363 -4.167 1.00 0.00 C ATOM 541 CZ PHE A 37 10.882 7.006 -2.972 1.00 0.00 C ATOM 0 H PHE A 37 7.023 1.618 -3.634 1.00 0.00 H new ATOM 0 HA PHE A 37 6.739 4.307 -2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.798 2.709 -2.996 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.757 3.096 -4.704 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.597 5.001 -1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.270 4.692 -5.360 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.969 7.045 -1.062 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.642 6.736 -4.930 1.00 0.00 H new ATOM 0 HZ PHE A 37 11.474 7.890 -2.787 1.00 0.00 H new ATOM 551 N ALA A 38 6.501 3.748 -5.980 1.00 0.00 N ATOM 552 CA ALA A 38 6.081 4.337 -7.240 1.00 0.00 C ATOM 553 C ALA A 38 4.664 4.895 -7.090 1.00 0.00 C ATOM 554 O ALA A 38 4.442 6.092 -7.268 1.00 0.00 O ATOM 555 CB ALA A 38 6.181 3.291 -8.352 1.00 0.00 C ATOM 0 H ALA A 38 6.748 2.760 -6.032 1.00 0.00 H new ATOM 0 HA ALA A 38 6.735 5.166 -7.513 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.866 3.733 -9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.212 2.949 -8.438 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.536 2.445 -8.115 1.00 0.00 H new ATOM 561 N ALA A 39 3.742 4.001 -6.765 1.00 0.00 N ATOM 562 CA ALA A 39 2.353 4.388 -6.589 1.00 0.00 C ATOM 563 C ALA A 39 2.265 5.490 -5.531 1.00 0.00 C ATOM 564 O ALA A 39 1.802 6.594 -5.815 1.00 0.00 O ATOM 565 CB ALA A 39 1.522 3.158 -6.219 1.00 0.00 C ATOM 0 H ALA A 39 3.930 3.009 -6.619 1.00 0.00 H new ATOM 0 HA ALA A 39 1.946 4.789 -7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.480 3.449 -6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.594 2.417 -7.015 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.899 2.730 -5.290 1.00 0.00 H new ATOM 571 N ILE A 40 2.718 5.153 -4.332 1.00 0.00 N ATOM 572 CA ILE A 40 2.696 6.100 -3.230 1.00 0.00 C ATOM 573 C ILE A 40 3.111 7.480 -3.742 1.00 0.00 C ATOM 574 O ILE A 40 2.437 8.474 -3.474 1.00 0.00 O ATOM 575 CB ILE A 40 3.553 5.591 -2.069 1.00 0.00 C ATOM 576 CG1 ILE A 40 2.905 4.377 -1.400 1.00 0.00 C ATOM 577 CG2 ILE A 40 3.842 6.711 -1.069 1.00 0.00 C ATOM 578 CD1 ILE A 40 1.828 4.811 -0.403 1.00 0.00 C ATOM 0 H ILE A 40 3.102 4.237 -4.100 1.00 0.00 H new ATOM 0 HA ILE A 40 1.686 6.198 -2.831 1.00 0.00 H new ATOM 0 HB ILE A 40 4.512 5.263 -2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.464 3.731 -2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.667 3.791 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.453 6.322 -0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.377 7.518 -1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.903 7.093 -0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.383 3.929 0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.277 5.437 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.056 5.376 -0.925 1.00 0.00 H new ATOM 590 N VAL A 41 4.219 7.498 -4.468 1.00 0.00 N ATOM 591 CA VAL A 41 4.732 8.741 -5.020 1.00 0.00 C ATOM 592 C VAL A 41 3.636 9.418 -5.845 1.00 0.00 C ATOM 593 O VAL A 41 3.370 10.607 -5.673 1.00 0.00 O ATOM 594 CB VAL A 41 6.005 8.470 -5.824 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.291 9.614 -6.800 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.198 8.229 -4.898 1.00 0.00 C ATOM 0 H VAL A 41 4.776 6.672 -4.687 1.00 0.00 H new ATOM 0 HA VAL A 41 5.009 9.429 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 41 5.846 7.563 -6.407 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.201 9.396 -7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.456 9.719 -7.493 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.420 10.543 -6.244 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.090 8.039 -5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.359 9.109 -4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.997 7.367 -4.262 1.00 0.00 H new ATOM 606 N ALA A 42 3.030 8.633 -6.723 1.00 0.00 N ATOM 607 CA ALA A 42 1.969 9.142 -7.575 1.00 0.00 C ATOM 608 C ALA A 42 0.844 9.702 -6.703 1.00 0.00 C ATOM 609 O ALA A 42 0.516 10.884 -6.789 1.00 0.00 O ATOM 610 CB ALA A 42 1.485 8.030 -8.509 1.00 0.00 C ATOM 0 H ALA A 42 3.254 7.648 -6.863 1.00 0.00 H new ATOM 0 HA ALA A 42 2.337 9.955 -8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.689 8.412 -9.148 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.314 7.688 -9.128 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.106 7.197 -7.917 1.00 0.00 H new ATOM 616 N TYR A 43 0.283 8.825 -5.882 1.00 0.00 N ATOM 617 CA TYR A 43 -0.798 9.217 -4.994 1.00 0.00 C ATOM 618 C TYR A 43 -0.493 10.554 -4.315 1.00 0.00 C ATOM 619 O TYR A 43 -1.239 11.519 -4.474 1.00 0.00 O ATOM 620 CB TYR A 43 -0.884 8.124 -3.927 1.00 0.00 C ATOM 621 CG TYR A 43 -2.038 7.141 -4.135 1.00 0.00 C ATOM 622 CD1 TYR A 43 -3.319 7.490 -3.760 1.00 0.00 C ATOM 623 CD2 TYR A 43 -1.797 5.904 -4.698 1.00 0.00 C ATOM 624 CE1 TYR A 43 -4.405 6.565 -3.956 1.00 0.00 C ATOM 625 CE2 TYR A 43 -2.883 4.978 -4.894 1.00 0.00 C ATOM 626 CZ TYR A 43 -4.133 5.355 -4.513 1.00 0.00 C ATOM 627 OH TYR A 43 -5.158 4.480 -4.698 1.00 0.00 O ATOM 0 H TYR A 43 0.557 7.845 -5.814 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.728 9.333 -5.550 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.054 7.569 -3.913 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.991 8.593 -2.949 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.507 8.458 -3.319 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.794 5.630 -4.992 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.412 6.826 -3.667 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.709 4.007 -5.333 1.00 0.00 H new ATOM 0 HH TYR A 43 -4.816 3.657 -5.106 1.00 0.00 H new ATOM 637 N GLY A 44 0.604 10.567 -3.573 1.00 0.00 N ATOM 638 CA GLY A 44 1.017 11.769 -2.869 1.00 0.00 C ATOM 639 C GLY A 44 1.100 12.962 -3.823 1.00 0.00 C ATOM 640 O GLY A 44 0.694 14.070 -3.474 1.00 0.00 O ATOM 0 H GLY A 44 1.220 9.764 -3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.310 11.987 -2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.988 11.605 -2.401 1.00 0.00 H new ATOM 644 N LEU A 45 1.628 12.695 -5.008 1.00 0.00 N ATOM 645 CA LEU A 45 1.769 13.733 -6.016 1.00 0.00 C ATOM 646 C LEU A 45 0.414 14.407 -6.241 1.00 0.00 C ATOM 647 O LEU A 45 0.315 15.632 -6.218 1.00 0.00 O ATOM 648 CB LEU A 45 2.392 13.161 -7.291 1.00 0.00 C ATOM 649 CG LEU A 45 3.606 13.913 -7.840 1.00 0.00 C ATOM 650 CD1 LEU A 45 4.269 13.128 -8.974 1.00 0.00 C ATOM 651 CD2 LEU A 45 3.224 15.330 -8.271 1.00 0.00 C ATOM 0 H LEU A 45 1.964 11.775 -5.293 1.00 0.00 H new ATOM 0 HA LEU A 45 2.456 14.506 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.686 12.129 -7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.626 13.134 -8.066 1.00 0.00 H new ATOM 0 HG LEU A 45 4.341 14.007 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.129 13.684 -9.347 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.598 12.158 -8.601 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.553 12.982 -9.783 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.105 15.843 -8.657 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.462 15.281 -9.049 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.832 15.878 -7.414 1.00 0.00 H new ATOM 663 N TYR A 46 -0.596 13.576 -6.454 1.00 0.00 N ATOM 664 CA TYR A 46 -1.940 14.076 -6.684 1.00 0.00 C ATOM 665 C TYR A 46 -2.527 14.678 -5.405 1.00 0.00 C ATOM 666 O TYR A 46 -3.178 15.720 -5.448 1.00 0.00 O ATOM 667 CB TYR A 46 -2.777 12.862 -7.093 1.00 0.00 C ATOM 668 CG TYR A 46 -2.822 12.617 -8.602 1.00 0.00 C ATOM 669 CD1 TYR A 46 -1.648 12.554 -9.326 1.00 0.00 C ATOM 670 CD2 TYR A 46 -4.035 12.458 -9.240 1.00 0.00 C ATOM 671 CE1 TYR A 46 -1.689 12.323 -10.747 1.00 0.00 C ATOM 672 CE2 TYR A 46 -4.076 12.227 -10.661 1.00 0.00 C ATOM 673 CZ TYR A 46 -2.902 12.171 -11.344 1.00 0.00 C ATOM 674 OH TYR A 46 -2.941 11.953 -12.686 1.00 0.00 O ATOM 0 H TYR A 46 -0.510 12.560 -6.472 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.935 14.856 -7.445 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.375 11.975 -6.603 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.795 12.995 -6.726 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.699 12.678 -8.826 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.953 12.507 -8.674 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.778 12.272 -11.325 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.019 12.101 -11.173 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.873 11.862 -12.976 1.00 0.00 H new ATOM 684 N LYS A 47 -2.276 13.995 -4.298 1.00 0.00 N ATOM 685 CA LYS A 47 -2.771 14.449 -3.010 1.00 0.00 C ATOM 686 C LYS A 47 -2.330 15.896 -2.780 1.00 0.00 C ATOM 687 O LYS A 47 -3.113 16.719 -2.309 1.00 0.00 O ATOM 688 CB LYS A 47 -2.336 13.490 -1.900 1.00 0.00 C ATOM 689 CG LYS A 47 -3.486 12.567 -1.491 1.00 0.00 C ATOM 690 CD LYS A 47 -3.035 11.571 -0.420 1.00 0.00 C ATOM 691 CE LYS A 47 -2.562 10.262 -1.053 1.00 0.00 C ATOM 692 NZ LYS A 47 -2.784 9.128 -0.128 1.00 0.00 N ATOM 0 H LYS A 47 -1.736 13.130 -4.267 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.861 14.441 -2.997 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.490 12.893 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.997 14.059 -1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.317 13.162 -1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.852 12.027 -2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.228 12.006 0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.859 11.371 0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.098 10.088 -1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.503 10.334 -1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.457 8.247 -0.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.253 9.288 0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.798 9.050 0.089 1.00 0.00 H new ATOM 706 N LEU A 48 -1.079 16.161 -3.124 1.00 0.00 N ATOM 707 CA LEU A 48 -0.524 17.494 -2.961 1.00 0.00 C ATOM 708 C LEU A 48 -1.576 18.531 -3.358 1.00 0.00 C ATOM 709 O LEU A 48 -2.059 19.286 -2.514 1.00 0.00 O ATOM 710 CB LEU A 48 0.791 17.626 -3.733 1.00 0.00 C ATOM 711 CG LEU A 48 1.349 19.043 -3.870 1.00 0.00 C ATOM 712 CD1 LEU A 48 2.552 19.251 -2.947 1.00 0.00 C ATOM 713 CD2 LEU A 48 1.683 19.362 -5.328 1.00 0.00 C ATOM 0 H LEU A 48 -0.433 15.475 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.273 17.677 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.542 17.007 -3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.645 17.216 -4.732 1.00 0.00 H new ATOM 0 HG LEU A 48 0.577 19.746 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.929 20.267 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.248 19.094 -1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.337 18.540 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.078 20.376 -5.397 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.429 18.656 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.780 19.282 -5.934 1.00 0.00 H new ATOM 725 N LYS A 49 -1.902 18.536 -4.642 1.00 0.00 N ATOM 726 CA LYS A 49 -2.888 19.468 -5.161 1.00 0.00 C ATOM 727 C LYS A 49 -4.285 18.865 -5.004 1.00 0.00 C ATOM 728 O LYS A 49 -4.424 17.691 -4.667 1.00 0.00 O ATOM 729 CB LYS A 49 -2.547 19.863 -6.599 1.00 0.00 C ATOM 730 CG LYS A 49 -2.710 18.674 -7.548 1.00 0.00 C ATOM 731 CD LYS A 49 -1.357 18.230 -8.108 1.00 0.00 C ATOM 732 CE LYS A 49 -1.128 18.803 -9.507 1.00 0.00 C ATOM 733 NZ LYS A 49 -0.543 17.776 -10.399 1.00 0.00 N ATOM 0 H LYS A 49 -1.500 17.909 -5.339 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.874 20.395 -4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.194 20.679 -6.919 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.522 20.232 -6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.179 17.844 -7.020 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.375 18.947 -8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.559 18.557 -7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.315 17.141 -8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.072 19.157 -9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.463 19.664 -9.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.394 18.182 -11.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.368 17.458 -10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.192 16.966 -10.468 1.00 0.00 H new ATOM 747 N SER A 50 -5.286 19.697 -5.255 1.00 0.00 N ATOM 748 CA SER A 50 -6.667 19.261 -5.146 1.00 0.00 C ATOM 749 C SER A 50 -7.050 18.424 -6.367 1.00 0.00 C ATOM 750 O SER A 50 -7.618 17.341 -6.229 1.00 0.00 O ATOM 751 CB SER A 50 -7.612 20.456 -5.004 1.00 0.00 C ATOM 752 OG SER A 50 -7.656 20.946 -3.666 1.00 0.00 O ATOM 0 H SER A 50 -5.167 20.671 -5.534 1.00 0.00 H new ATOM 0 HA SER A 50 -6.762 18.648 -4.250 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.290 21.255 -5.672 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.615 20.164 -5.316 1.00 0.00 H new ATOM 0 HG SER A 50 -8.269 21.709 -3.617 1.00 0.00 H new ATOM 758 N ARG A 51 -6.724 18.956 -7.536 1.00 0.00 N ATOM 759 CA ARG A 51 -7.027 18.271 -8.781 1.00 0.00 C ATOM 760 C ARG A 51 -8.539 18.096 -8.937 1.00 0.00 C ATOM 761 O ARG A 51 -9.196 18.901 -9.595 1.00 0.00 O ATOM 762 CB ARG A 51 -6.353 16.898 -8.832 1.00 0.00 C ATOM 763 CG ARG A 51 -5.115 16.928 -9.730 1.00 0.00 C ATOM 764 CD ARG A 51 -5.113 15.747 -10.702 1.00 0.00 C ATOM 765 NE ARG A 51 -5.818 16.118 -11.950 1.00 0.00 N ATOM 766 CZ ARG A 51 -5.332 16.983 -12.865 1.00 0.00 C ATOM 767 NH1 ARG A 51 -4.133 17.576 -12.679 1.00 0.00 N ATOM 768 NH2 ARG A 51 -6.047 17.242 -13.944 1.00 0.00 N ATOM 0 H ARG A 51 -6.253 19.854 -7.647 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.643 18.882 -9.598 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.069 16.591 -7.825 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.059 16.156 -9.205 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.090 17.863 -10.289 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.215 16.899 -9.116 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.088 15.452 -10.927 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.598 14.886 -10.242 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.728 15.693 -12.129 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.587 17.371 -11.842 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.773 18.228 -13.376 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.952 16.791 -14.076 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.694 17.893 -14.645 1.00 0.00 H new ATOM 782 N GLY A 52 -9.046 17.039 -8.320 1.00 0.00 N ATOM 783 CA GLY A 52 -10.469 16.748 -8.382 1.00 0.00 C ATOM 784 C GLY A 52 -10.744 15.284 -8.033 1.00 0.00 C ATOM 785 O GLY A 52 -9.971 14.400 -8.396 1.00 0.00 O ATOM 0 H GLY A 52 -8.498 16.374 -7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.007 17.398 -7.692 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.845 16.964 -9.382 1.00 0.00 H new ATOM 789 N ASN A 53 -11.850 15.074 -7.333 1.00 0.00 N ATOM 790 CA ASN A 53 -12.237 13.733 -6.932 1.00 0.00 C ATOM 791 C ASN A 53 -11.324 13.260 -5.799 1.00 0.00 C ATOM 792 O ASN A 53 -10.268 12.680 -6.049 1.00 0.00 O ATOM 793 CB ASN A 53 -12.097 12.748 -8.094 1.00 0.00 C ATOM 794 CG ASN A 53 -13.052 11.564 -7.928 1.00 0.00 C ATOM 795 OD1 ASN A 53 -14.254 11.718 -7.781 1.00 0.00 O ATOM 796 ND2 ASN A 53 -12.453 10.377 -7.958 1.00 0.00 N ATOM 0 H ASN A 53 -12.489 15.810 -7.034 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.278 13.765 -6.610 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.305 13.258 -9.035 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -11.070 12.387 -8.147 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.004 9.525 -7.855 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.443 10.319 -8.084 1.00 0.00 H new ATOM 803 N THR A 54 -11.763 13.526 -4.577 1.00 0.00 N ATOM 804 CA THR A 54 -10.999 13.135 -3.405 1.00 0.00 C ATOM 805 C THR A 54 -11.789 13.433 -2.129 1.00 0.00 C ATOM 806 O THR A 54 -12.370 14.508 -1.992 1.00 0.00 O ATOM 807 CB THR A 54 -9.647 13.850 -3.463 1.00 0.00 C ATOM 808 OG1 THR A 54 -8.946 13.359 -2.324 1.00 0.00 O ATOM 809 CG2 THR A 54 -9.767 15.353 -3.208 1.00 0.00 C ATOM 0 H THR A 54 -12.639 14.008 -4.374 1.00 0.00 H new ATOM 0 HA THR A 54 -10.816 12.061 -3.393 1.00 0.00 H new ATOM 0 HB THR A 54 -9.190 13.684 -4.439 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.057 13.770 -2.285 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.779 15.811 -3.261 1.00 0.00 H new ATOM 0 HG22 THR A 54 -10.415 15.799 -3.963 1.00 0.00 H new ATOM 0 HG23 THR A 54 -10.193 15.521 -2.219 1.00 0.00 H new ATOM 817 N LYS A 55 -11.784 12.461 -1.229 1.00 0.00 N ATOM 818 CA LYS A 55 -12.494 12.605 0.031 1.00 0.00 C ATOM 819 C LYS A 55 -11.522 12.364 1.188 1.00 0.00 C ATOM 820 O LYS A 55 -11.801 11.565 2.081 1.00 0.00 O ATOM 821 CB LYS A 55 -13.723 11.696 0.061 1.00 0.00 C ATOM 822 CG LYS A 55 -13.356 10.264 -0.335 1.00 0.00 C ATOM 823 CD LYS A 55 -14.610 9.406 -0.515 1.00 0.00 C ATOM 824 CE LYS A 55 -14.920 8.615 0.758 1.00 0.00 C ATOM 825 NZ LYS A 55 -15.892 7.536 0.473 1.00 0.00 N ATOM 0 H LYS A 55 -11.300 11.571 -1.347 1.00 0.00 H new ATOM 0 HA LYS A 55 -12.876 13.620 0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.159 11.700 1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.482 12.082 -0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.782 10.275 -1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.717 9.824 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.458 10.043 -0.767 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.468 8.719 -1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.002 8.188 1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.322 9.283 1.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.092 7.009 1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -16.774 7.950 0.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.494 6.889 -0.238 1.00 0.00 H new ATOM 839 N MET A 56 -10.403 13.071 1.136 1.00 0.00 N ATOM 840 CA MET A 56 -9.389 12.944 2.169 1.00 0.00 C ATOM 841 C MET A 56 -8.601 14.246 2.327 1.00 0.00 C ATOM 842 O MET A 56 -8.371 14.959 1.352 1.00 0.00 O ATOM 843 CB MET A 56 -8.429 11.808 1.806 1.00 0.00 C ATOM 844 CG MET A 56 -8.536 10.658 2.809 1.00 0.00 C ATOM 845 SD MET A 56 -7.449 9.327 2.330 1.00 0.00 S ATOM 846 CE MET A 56 -6.222 9.448 3.621 1.00 0.00 C ATOM 0 H MET A 56 -10.176 13.734 0.395 1.00 0.00 H new ATOM 0 HA MET A 56 -9.886 12.724 3.114 1.00 0.00 H new ATOM 0 HB2 MET A 56 -8.654 11.443 0.804 1.00 0.00 H new ATOM 0 HB3 MET A 56 -7.406 12.184 1.786 1.00 0.00 H new ATOM 0 HG2 MET A 56 -8.275 11.010 3.807 1.00 0.00 H new ATOM 0 HG3 MET A 56 -9.564 10.300 2.856 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.461 8.682 3.473 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.756 10.433 3.589 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.698 9.303 4.591 1.00 0.00 H new ATOM 856 N SER A 57 -8.211 14.517 3.564 1.00 0.00 N ATOM 857 CA SER A 57 -7.454 15.721 3.863 1.00 0.00 C ATOM 858 C SER A 57 -6.193 15.364 4.652 1.00 0.00 C ATOM 859 O SER A 57 -6.207 15.359 5.882 1.00 0.00 O ATOM 860 CB SER A 57 -8.304 16.725 4.645 1.00 0.00 C ATOM 861 OG SER A 57 -8.989 17.630 3.784 1.00 0.00 O ATOM 0 H SER A 57 -8.405 13.924 4.371 1.00 0.00 H new ATOM 0 HA SER A 57 -7.165 16.187 2.921 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.029 16.188 5.256 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.666 17.287 5.327 1.00 0.00 H new ATOM 0 HG SER A 57 -9.521 18.253 4.321 1.00 0.00 H new ATOM 867 N ILE A 58 -5.133 15.074 3.912 1.00 0.00 N ATOM 868 CA ILE A 58 -3.866 14.717 4.528 1.00 0.00 C ATOM 869 C ILE A 58 -2.732 15.460 3.818 1.00 0.00 C ATOM 870 O ILE A 58 -2.100 14.917 2.914 1.00 0.00 O ATOM 871 CB ILE A 58 -3.689 13.198 4.546 1.00 0.00 C ATOM 872 CG1 ILE A 58 -2.389 12.806 5.251 1.00 0.00 C ATOM 873 CG2 ILE A 58 -3.771 12.619 3.132 1.00 0.00 C ATOM 874 CD1 ILE A 58 -2.667 12.273 6.658 1.00 0.00 C ATOM 0 H ILE A 58 -5.125 15.079 2.892 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.848 15.029 5.572 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.509 12.766 5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.869 12.047 4.667 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.728 13.671 5.310 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.642 11.537 3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.744 12.852 2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.986 13.055 2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.726 12.002 7.137 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.165 13.043 7.247 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.308 11.394 6.594 1.00 0.00 H new ATOM 886 N HIS A 59 -2.509 16.691 4.256 1.00 0.00 N ATOM 887 CA HIS A 59 -1.463 17.514 3.674 1.00 0.00 C ATOM 888 C HIS A 59 -1.249 18.759 4.537 1.00 0.00 C ATOM 889 O HIS A 59 -1.468 19.880 4.080 1.00 0.00 O ATOM 890 CB HIS A 59 -1.784 17.850 2.216 1.00 0.00 C ATOM 891 CG HIS A 59 -0.807 18.809 1.578 1.00 0.00 C ATOM 892 ND1 HIS A 59 -0.970 19.301 0.295 1.00 0.00 N ATOM 893 CD2 HIS A 59 0.343 19.362 2.059 1.00 0.00 C ATOM 894 CE1 HIS A 59 0.044 20.112 0.026 1.00 0.00 C ATOM 895 NE2 HIS A 59 0.857 20.147 1.121 1.00 0.00 N ATOM 0 H HIS A 59 -3.035 17.138 5.007 1.00 0.00 H new ATOM 0 HA HIS A 59 -0.525 16.960 3.660 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.802 16.927 1.637 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.785 18.279 2.164 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -1.739 19.078 -0.336 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.764 19.190 3.038 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.199 20.650 -0.897 1.00 0.00 H new ATOM 903 N LEU A 60 -0.825 18.520 5.769 1.00 0.00 N ATOM 904 CA LEU A 60 -0.580 19.608 6.700 1.00 0.00 C ATOM 905 C LEU A 60 0.180 20.726 5.983 1.00 0.00 C ATOM 906 O LEU A 60 0.746 20.509 4.913 1.00 0.00 O ATOM 907 CB LEU A 60 0.126 19.091 7.955 1.00 0.00 C ATOM 908 CG LEU A 60 1.618 18.786 7.807 1.00 0.00 C ATOM 909 CD1 LEU A 60 1.890 17.983 6.533 1.00 0.00 C ATOM 910 CD2 LEU A 60 2.449 20.069 7.864 1.00 0.00 C ATOM 0 H LEU A 60 -0.645 17.589 6.144 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.522 20.033 7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.003 19.829 8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.379 18.183 8.284 1.00 0.00 H new ATOM 0 HG LEU A 60 1.925 18.167 8.650 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.958 17.780 6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.343 17.041 6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.563 18.556 5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.505 19.823 7.756 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.147 20.734 7.055 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.288 20.565 8.821 1.00 0.00 H new ATOM 922 N ILE A 61 0.169 21.897 6.602 1.00 0.00 N ATOM 923 CA ILE A 61 0.850 23.049 6.036 1.00 0.00 C ATOM 924 C ILE A 61 2.246 22.632 5.569 1.00 0.00 C ATOM 925 O ILE A 61 3.124 22.363 6.387 1.00 0.00 O ATOM 926 CB ILE A 61 0.857 24.210 7.032 1.00 0.00 C ATOM 927 CG1 ILE A 61 1.030 25.549 6.313 1.00 0.00 C ATOM 928 CG2 ILE A 61 1.919 23.999 8.113 1.00 0.00 C ATOM 929 CD1 ILE A 61 -0.326 26.204 6.040 1.00 0.00 C ATOM 0 H ILE A 61 -0.301 22.073 7.490 1.00 0.00 H new ATOM 0 HA ILE A 61 0.315 23.414 5.159 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.111 24.236 7.532 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.644 26.215 6.919 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.560 25.395 5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.903 24.839 8.808 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.709 23.076 8.654 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.903 23.932 7.648 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.175 27.154 5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.928 25.546 5.413 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.842 26.379 6.984 1.00 0.00 H new ATOM 941 N HIS A 62 2.407 22.591 4.254 1.00 0.00 N ATOM 942 CA HIS A 62 3.681 22.211 3.668 1.00 0.00 C ATOM 943 C HIS A 62 4.020 20.772 4.064 1.00 0.00 C ATOM 944 O HIS A 62 3.246 20.118 4.763 1.00 0.00 O ATOM 945 CB HIS A 62 4.776 23.206 4.057 1.00 0.00 C ATOM 946 CG HIS A 62 4.793 24.460 3.216 1.00 0.00 C ATOM 947 ND1 HIS A 62 5.370 24.513 1.960 1.00 0.00 N ATOM 948 CD2 HIS A 62 4.296 25.706 3.465 1.00 0.00 C ATOM 949 CE1 HIS A 62 5.223 25.741 1.483 1.00 0.00 C ATOM 950 NE2 HIS A 62 4.557 26.478 2.417 1.00 0.00 N ATOM 0 H HIS A 62 1.676 22.815 3.578 1.00 0.00 H new ATOM 0 HA HIS A 62 3.609 22.245 2.581 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.645 23.484 5.103 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.745 22.714 3.977 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.778 26.012 4.362 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.570 26.095 0.524 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.301 27.461 2.326 1.00 0.00 H new ATOM 958 N MET A 63 5.176 20.321 3.602 1.00 0.00 N ATOM 959 CA MET A 63 5.627 18.972 3.899 1.00 0.00 C ATOM 960 C MET A 63 4.550 17.944 3.545 1.00 0.00 C ATOM 961 O MET A 63 3.573 17.787 4.277 1.00 0.00 O ATOM 962 CB MET A 63 5.968 18.864 5.386 1.00 0.00 C ATOM 963 CG MET A 63 7.232 19.658 5.718 1.00 0.00 C ATOM 964 SD MET A 63 7.820 19.220 7.346 1.00 0.00 S ATOM 965 CE MET A 63 9.072 18.024 6.911 1.00 0.00 C ATOM 0 H MET A 63 5.815 20.866 3.023 1.00 0.00 H new ATOM 0 HA MET A 63 6.513 18.764 3.298 1.00 0.00 H new ATOM 0 HB2 MET A 63 5.134 19.235 5.982 1.00 0.00 H new ATOM 0 HB3 MET A 63 6.111 17.817 5.655 1.00 0.00 H new ATOM 0 HG2 MET A 63 8.004 19.454 4.977 1.00 0.00 H new ATOM 0 HG3 MET A 63 7.022 20.727 5.674 1.00 0.00 H new ATOM 0 HE1 MET A 63 9.266 17.374 7.764 1.00 0.00 H new ATOM 0 HE2 MET A 63 8.726 17.424 6.069 1.00 0.00 H new ATOM 0 HE3 MET A 63 9.990 18.543 6.634 1.00 0.00 H new ATOM 975 N ARG A 64 4.764 17.271 2.425 1.00 0.00 N ATOM 976 CA ARG A 64 3.824 16.263 1.965 1.00 0.00 C ATOM 977 C ARG A 64 4.452 14.871 2.059 1.00 0.00 C ATOM 978 O ARG A 64 3.750 13.883 2.273 1.00 0.00 O ATOM 979 CB ARG A 64 3.397 16.526 0.520 1.00 0.00 C ATOM 980 CG ARG A 64 4.610 16.814 -0.367 1.00 0.00 C ATOM 981 CD ARG A 64 4.467 16.134 -1.729 1.00 0.00 C ATOM 982 NE ARG A 64 5.656 16.417 -2.564 1.00 0.00 N ATOM 983 CZ ARG A 64 6.034 15.669 -3.622 1.00 0.00 C ATOM 984 NH1 ARG A 64 5.318 14.584 -3.984 1.00 0.00 N ATOM 985 NH2 ARG A 64 7.114 16.015 -4.297 1.00 0.00 N ATOM 0 H ARG A 64 5.576 17.404 1.821 1.00 0.00 H new ATOM 0 HA ARG A 64 2.944 16.313 2.606 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.857 15.662 0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.710 17.372 0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.718 17.890 -0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.517 16.463 0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.353 15.058 -1.597 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.567 16.491 -2.230 1.00 0.00 H new ATOM 0 HE ARG A 64 6.226 17.229 -2.325 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.484 14.324 -3.457 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.610 14.024 -4.785 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.649 16.837 -4.017 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.414 15.461 -5.099 1.00 0.00 H new ATOM 999 N VAL A 65 5.766 14.836 1.894 1.00 0.00 N ATOM 1000 CA VAL A 65 6.495 13.581 1.958 1.00 0.00 C ATOM 1001 C VAL A 65 6.485 13.063 3.398 1.00 0.00 C ATOM 1002 O VAL A 65 6.417 11.856 3.626 1.00 0.00 O ATOM 1003 CB VAL A 65 7.907 13.768 1.400 1.00 0.00 C ATOM 1004 CG1 VAL A 65 8.742 14.672 2.310 1.00 0.00 C ATOM 1005 CG2 VAL A 65 8.596 12.418 1.187 1.00 0.00 C ATOM 0 H VAL A 65 6.345 15.657 1.716 1.00 0.00 H new ATOM 0 HA VAL A 65 6.012 12.826 1.338 1.00 0.00 H new ATOM 0 HB VAL A 65 7.821 14.257 0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.741 14.788 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.266 15.649 2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.815 14.223 3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.598 12.580 0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.663 11.890 2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.018 11.822 0.481 1.00 0.00 H new ATOM 1015 N ALA A 66 6.555 14.001 4.331 1.00 0.00 N ATOM 1016 CA ALA A 66 6.554 13.654 5.742 1.00 0.00 C ATOM 1017 C ALA A 66 5.403 12.686 6.025 1.00 0.00 C ATOM 1018 O ALA A 66 5.621 11.590 6.537 1.00 0.00 O ATOM 1019 CB ALA A 66 6.463 14.929 6.582 1.00 0.00 C ATOM 0 H ALA A 66 6.613 15.001 4.138 1.00 0.00 H new ATOM 0 HA ALA A 66 7.482 13.151 6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.462 14.668 7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.319 15.569 6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.543 15.460 6.339 1.00 0.00 H new ATOM 1025 N ALA A 67 4.203 13.128 5.678 1.00 0.00 N ATOM 1026 CA ALA A 67 3.017 12.314 5.888 1.00 0.00 C ATOM 1027 C ALA A 67 3.238 10.930 5.275 1.00 0.00 C ATOM 1028 O ALA A 67 2.738 9.932 5.791 1.00 0.00 O ATOM 1029 CB ALA A 67 1.799 13.026 5.296 1.00 0.00 C ATOM 0 H ALA A 67 4.026 14.038 5.253 1.00 0.00 H new ATOM 0 HA ALA A 67 2.829 12.176 6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.909 12.416 5.453 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.668 13.991 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.950 13.178 4.227 1.00 0.00 H new ATOM 1035 N GLN A 68 3.988 10.914 4.183 1.00 0.00 N ATOM 1036 CA GLN A 68 4.282 9.669 3.494 1.00 0.00 C ATOM 1037 C GLN A 68 5.210 8.799 4.344 1.00 0.00 C ATOM 1038 O GLN A 68 5.066 7.577 4.374 1.00 0.00 O ATOM 1039 CB GLN A 68 4.889 9.935 2.115 1.00 0.00 C ATOM 1040 CG GLN A 68 3.897 9.589 1.003 1.00 0.00 C ATOM 1041 CD GLN A 68 4.464 9.955 -0.370 1.00 0.00 C ATOM 1042 OE1 GLN A 68 5.370 9.321 -0.886 1.00 0.00 O ATOM 1043 NE2 GLN A 68 3.881 11.011 -0.931 1.00 0.00 N ATOM 0 H GLN A 68 4.401 11.744 3.758 1.00 0.00 H new ATOM 0 HA GLN A 68 3.347 9.130 3.344 1.00 0.00 H new ATOM 0 HB2 GLN A 68 5.177 10.983 2.037 1.00 0.00 H new ATOM 0 HB3 GLN A 68 5.797 9.345 1.994 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.668 8.524 1.034 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.960 10.122 1.167 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.128 11.496 -0.444 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.187 11.335 -1.848 1.00 0.00 H new ATOM 1052 N GLY A 69 6.142 9.461 5.013 1.00 0.00 N ATOM 1053 CA GLY A 69 7.093 8.763 5.861 1.00 0.00 C ATOM 1054 C GLY A 69 6.386 8.084 7.036 1.00 0.00 C ATOM 1055 O GLY A 69 6.628 6.911 7.317 1.00 0.00 O ATOM 0 H GLY A 69 6.259 10.474 4.985 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.629 8.017 5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.836 9.467 6.237 1.00 0.00 H new ATOM 1059 N PHE A 70 5.525 8.850 7.690 1.00 0.00 N ATOM 1060 CA PHE A 70 4.781 8.337 8.827 1.00 0.00 C ATOM 1061 C PHE A 70 3.829 7.218 8.400 1.00 0.00 C ATOM 1062 O PHE A 70 3.675 6.225 9.109 1.00 0.00 O ATOM 1063 CB PHE A 70 3.962 9.501 9.388 1.00 0.00 C ATOM 1064 CG PHE A 70 3.868 9.518 10.915 1.00 0.00 C ATOM 1065 CD1 PHE A 70 3.016 8.672 11.554 1.00 0.00 C ATOM 1066 CD2 PHE A 70 4.637 10.379 11.634 1.00 0.00 C ATOM 1067 CE1 PHE A 70 2.929 8.688 12.971 1.00 0.00 C ATOM 1068 CE2 PHE A 70 4.551 10.395 13.051 1.00 0.00 C ATOM 1069 CZ PHE A 70 3.698 9.549 13.690 1.00 0.00 C ATOM 0 H PHE A 70 5.326 9.822 7.454 1.00 0.00 H new ATOM 0 HA PHE A 70 5.469 7.929 9.568 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.404 10.438 9.051 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.955 9.456 8.973 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.405 7.988 10.983 1.00 0.00 H new ATOM 0 HD2 PHE A 70 5.313 11.051 11.127 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.252 8.016 13.478 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.162 11.078 13.622 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.632 9.561 14.768 1.00 0.00 H new ATOM 1079 N VAL A 71 3.216 7.416 7.243 1.00 0.00 N ATOM 1080 CA VAL A 71 2.283 6.436 6.712 1.00 0.00 C ATOM 1081 C VAL A 71 3.031 5.135 6.417 1.00 0.00 C ATOM 1082 O VAL A 71 2.694 4.084 6.961 1.00 0.00 O ATOM 1083 CB VAL A 71 1.567 7.006 5.486 1.00 0.00 C ATOM 1084 CG1 VAL A 71 0.741 5.926 4.784 1.00 0.00 C ATOM 1085 CG2 VAL A 71 0.694 8.203 5.868 1.00 0.00 C ATOM 0 H VAL A 71 3.347 8.241 6.658 1.00 0.00 H new ATOM 0 HA VAL A 71 1.510 6.207 7.445 1.00 0.00 H new ATOM 0 HB VAL A 71 2.326 7.356 4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.242 6.356 3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.398 5.118 4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.006 5.533 5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.196 8.589 4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.055 7.890 6.595 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.318 8.984 6.303 1.00 0.00 H new ATOM 1095 N VAL A 72 4.032 5.247 5.557 1.00 0.00 N ATOM 1096 CA VAL A 72 4.831 4.092 5.183 1.00 0.00 C ATOM 1097 C VAL A 72 5.361 3.413 6.448 1.00 0.00 C ATOM 1098 O VAL A 72 5.502 2.192 6.489 1.00 0.00 O ATOM 1099 CB VAL A 72 5.942 4.514 4.220 1.00 0.00 C ATOM 1100 CG1 VAL A 72 5.374 5.308 3.042 1.00 0.00 C ATOM 1101 CG2 VAL A 72 7.025 5.311 4.948 1.00 0.00 C ATOM 0 H VAL A 72 4.308 6.120 5.108 1.00 0.00 H new ATOM 0 HA VAL A 72 4.221 3.361 4.653 1.00 0.00 H new ATOM 0 HB VAL A 72 6.403 3.610 3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.185 5.596 2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.657 4.692 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.875 6.203 3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.803 5.599 4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.585 6.206 5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.461 4.697 5.736 1.00 0.00 H new ATOM 1111 N GLY A 73 5.642 4.235 7.449 1.00 0.00 N ATOM 1112 CA GLY A 73 6.154 3.729 8.711 1.00 0.00 C ATOM 1113 C GLY A 73 5.156 2.769 9.362 1.00 0.00 C ATOM 1114 O GLY A 73 5.440 1.582 9.514 1.00 0.00 O ATOM 0 H GLY A 73 5.525 5.248 7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.101 3.216 8.544 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.357 4.561 9.385 1.00 0.00 H new ATOM 1118 N ALA A 74 4.008 3.319 9.730 1.00 0.00 N ATOM 1119 CA ALA A 74 2.967 2.527 10.361 1.00 0.00 C ATOM 1120 C ALA A 74 2.648 1.317 9.481 1.00 0.00 C ATOM 1121 O ALA A 74 2.570 0.191 9.971 1.00 0.00 O ATOM 1122 CB ALA A 74 1.739 3.404 10.613 1.00 0.00 C ATOM 0 H ALA A 74 3.776 4.304 9.603 1.00 0.00 H new ATOM 0 HA ALA A 74 3.304 2.152 11.328 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.958 2.809 11.087 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.011 4.232 11.267 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.371 3.796 9.665 1.00 0.00 H new ATOM 1128 N MET A 75 2.473 1.589 8.196 1.00 0.00 N ATOM 1129 CA MET A 75 2.165 0.537 7.243 1.00 0.00 C ATOM 1130 C MET A 75 3.238 -0.553 7.263 1.00 0.00 C ATOM 1131 O MET A 75 2.926 -1.739 7.171 1.00 0.00 O ATOM 1132 CB MET A 75 2.069 1.133 5.837 1.00 0.00 C ATOM 1133 CG MET A 75 0.861 0.571 5.085 1.00 0.00 C ATOM 1134 SD MET A 75 1.262 -1.025 4.393 1.00 0.00 S ATOM 1135 CE MET A 75 -0.085 -1.208 3.236 1.00 0.00 C ATOM 0 H MET A 75 2.539 2.524 7.793 1.00 0.00 H new ATOM 0 HA MET A 75 1.212 0.088 7.523 1.00 0.00 H new ATOM 0 HB2 MET A 75 1.988 2.218 5.903 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.981 0.914 5.282 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.011 0.480 5.761 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.565 1.257 4.291 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.379 -2.256 3.182 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.934 -0.610 3.568 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.234 -0.870 2.250 1.00 0.00 H new ATOM 1145 N THR A 76 4.482 -0.112 7.385 1.00 0.00 N ATOM 1146 CA THR A 76 5.603 -1.035 7.419 1.00 0.00 C ATOM 1147 C THR A 76 5.485 -1.974 8.621 1.00 0.00 C ATOM 1148 O THR A 76 5.623 -3.188 8.481 1.00 0.00 O ATOM 1149 CB THR A 76 6.893 -0.212 7.415 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.001 0.258 6.074 1.00 0.00 O ATOM 1151 CG2 THR A 76 8.140 -1.077 7.607 1.00 0.00 C ATOM 0 H THR A 76 4.738 0.872 7.461 1.00 0.00 H new ATOM 0 HA THR A 76 5.610 -1.681 6.541 1.00 0.00 H new ATOM 0 HB THR A 76 6.846 0.539 8.204 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.214 0.799 5.853 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.027 -0.444 7.596 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.078 -1.598 8.562 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.205 -1.806 6.799 1.00 0.00 H new ATOM 1159 N VAL A 77 5.231 -1.376 9.776 1.00 0.00 N ATOM 1160 CA VAL A 77 5.093 -2.143 11.001 1.00 0.00 C ATOM 1161 C VAL A 77 3.914 -3.110 10.863 1.00 0.00 C ATOM 1162 O VAL A 77 4.049 -4.301 11.137 1.00 0.00 O ATOM 1163 CB VAL A 77 4.954 -1.199 12.197 1.00 0.00 C ATOM 1164 CG1 VAL A 77 4.580 -1.971 13.465 1.00 0.00 C ATOM 1165 CG2 VAL A 77 6.235 -0.389 12.407 1.00 0.00 C ATOM 0 H VAL A 77 5.117 -0.369 9.889 1.00 0.00 H new ATOM 0 HA VAL A 77 5.986 -2.742 11.178 1.00 0.00 H new ATOM 0 HB VAL A 77 4.146 -0.500 11.980 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.488 -1.276 14.300 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.630 -2.483 13.312 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.356 -2.704 13.687 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.110 0.274 13.263 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.068 -1.067 12.592 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.441 0.204 11.516 1.00 0.00 H new ATOM 1175 N GLY A 78 2.786 -2.560 10.439 1.00 0.00 N ATOM 1176 CA GLY A 78 1.585 -3.358 10.261 1.00 0.00 C ATOM 1177 C GLY A 78 1.850 -4.548 9.336 1.00 0.00 C ATOM 1178 O GLY A 78 1.465 -5.675 9.644 1.00 0.00 O ATOM 0 H GLY A 78 2.678 -1.571 10.213 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.235 -3.716 11.229 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.791 -2.739 9.844 1.00 0.00 H new ATOM 1182 N MET A 79 2.505 -4.256 8.222 1.00 0.00 N ATOM 1183 CA MET A 79 2.825 -5.288 7.251 1.00 0.00 C ATOM 1184 C MET A 79 3.759 -6.339 7.855 1.00 0.00 C ATOM 1185 O MET A 79 3.498 -7.537 7.756 1.00 0.00 O ATOM 1186 CB MET A 79 3.494 -4.652 6.031 1.00 0.00 C ATOM 1187 CG MET A 79 2.468 -3.924 5.160 1.00 0.00 C ATOM 1188 SD MET A 79 1.281 -5.090 4.513 1.00 0.00 S ATOM 1189 CE MET A 79 1.501 -4.816 2.762 1.00 0.00 C ATOM 0 H MET A 79 2.823 -3.320 7.970 1.00 0.00 H new ATOM 0 HA MET A 79 1.899 -5.780 6.954 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.262 -3.951 6.357 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.994 -5.422 5.443 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.957 -3.160 5.746 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.972 -3.413 4.340 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.830 -5.469 2.204 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.275 -3.776 2.525 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.533 -5.035 2.486 1.00 0.00 H new ATOM 1199 N GLY A 80 4.828 -5.852 8.467 1.00 0.00 N ATOM 1200 CA GLY A 80 5.802 -6.734 9.087 1.00 0.00 C ATOM 1201 C GLY A 80 5.116 -7.754 9.999 1.00 0.00 C ATOM 1202 O GLY A 80 5.463 -8.934 9.987 1.00 0.00 O ATOM 0 H GLY A 80 5.041 -4.858 8.547 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.370 -7.254 8.316 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.515 -6.146 9.665 1.00 0.00 H new ATOM 1206 N TYR A 81 4.156 -7.261 10.767 1.00 0.00 N ATOM 1207 CA TYR A 81 3.418 -8.115 11.682 1.00 0.00 C ATOM 1208 C TYR A 81 2.290 -8.852 10.957 1.00 0.00 C ATOM 1209 O TYR A 81 1.794 -9.867 11.443 1.00 0.00 O ATOM 1210 CB TYR A 81 2.810 -7.181 12.731 1.00 0.00 C ATOM 1211 CG TYR A 81 3.744 -6.868 13.902 1.00 0.00 C ATOM 1212 CD1 TYR A 81 4.186 -7.885 14.723 1.00 0.00 C ATOM 1213 CD2 TYR A 81 4.143 -5.568 14.136 1.00 0.00 C ATOM 1214 CE1 TYR A 81 5.066 -7.590 15.824 1.00 0.00 C ATOM 1215 CE2 TYR A 81 5.022 -5.273 15.238 1.00 0.00 C ATOM 1216 CZ TYR A 81 5.440 -6.298 16.028 1.00 0.00 C ATOM 1217 OH TYR A 81 6.270 -6.019 17.068 1.00 0.00 O ATOM 0 H TYR A 81 3.872 -6.281 10.775 1.00 0.00 H new ATOM 0 HA TYR A 81 4.075 -8.866 12.120 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.524 -6.247 12.248 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.897 -7.632 13.119 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.872 -8.902 14.540 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.796 -4.772 13.493 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.421 -8.377 16.473 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.342 -4.260 15.433 1.00 0.00 H new ATOM 0 HH TYR A 81 6.453 -5.057 17.091 1.00 0.00 H new ATOM 1227 N SER A 82 1.918 -8.312 9.806 1.00 0.00 N ATOM 1228 CA SER A 82 0.858 -8.906 9.009 1.00 0.00 C ATOM 1229 C SER A 82 -0.248 -9.437 9.922 1.00 0.00 C ATOM 1230 O SER A 82 -0.576 -10.622 9.881 1.00 0.00 O ATOM 1231 CB SER A 82 1.399 -10.028 8.122 1.00 0.00 C ATOM 1232 OG SER A 82 0.866 -9.970 6.801 1.00 0.00 O ATOM 0 H SER A 82 2.332 -7.470 9.406 1.00 0.00 H new ATOM 0 HA SER A 82 0.445 -8.134 8.360 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.486 -9.962 8.077 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.156 -10.992 8.569 1.00 0.00 H new ATOM 0 HG SER A 82 1.238 -10.702 6.266 1.00 0.00 H new ATOM 1238 N MET A 83 -0.793 -8.535 10.725 1.00 0.00 N ATOM 1239 CA MET A 83 -1.856 -8.898 11.647 1.00 0.00 C ATOM 1240 C MET A 83 -1.610 -10.284 12.248 1.00 0.00 C ATOM 1241 O MET A 83 -2.454 -11.172 12.135 1.00 0.00 O ATOM 1242 CB MET A 83 -3.196 -8.892 10.910 1.00 0.00 C ATOM 1243 CG MET A 83 -3.871 -7.522 11.012 1.00 0.00 C ATOM 1244 SD MET A 83 -3.246 -6.438 9.739 1.00 0.00 S ATOM 1245 CE MET A 83 -4.767 -5.660 9.220 1.00 0.00 C ATOM 0 H MET A 83 -0.518 -7.553 10.756 1.00 0.00 H new ATOM 0 HA MET A 83 -1.874 -8.169 12.457 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.040 -9.148 9.862 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.850 -9.656 11.330 1.00 0.00 H new ATOM 0 HG2 MET A 83 -4.951 -7.631 10.911 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.685 -7.088 11.994 1.00 0.00 H new ATOM 0 HE1 MET A 83 -4.557 -4.947 8.423 1.00 0.00 H new ATOM 0 HE2 MET A 83 -5.458 -6.420 8.855 1.00 0.00 H new ATOM 0 HE3 MET A 83 -5.215 -5.138 10.065 1.00 0.00 H new ATOM 1255 N TYR A 84 -0.451 -10.426 12.874 1.00 0.00 N ATOM 1256 CA TYR A 84 -0.084 -11.688 13.493 1.00 0.00 C ATOM 1257 C TYR A 84 1.214 -11.550 14.291 1.00 0.00 C ATOM 1258 O TYR A 84 1.834 -10.488 14.297 1.00 0.00 O ATOM 1259 CB TYR A 84 0.142 -12.672 12.343 1.00 0.00 C ATOM 1260 CG TYR A 84 -0.410 -14.074 12.606 1.00 0.00 C ATOM 1261 CD1 TYR A 84 -1.705 -14.233 13.057 1.00 0.00 C ATOM 1262 CD2 TYR A 84 0.387 -15.180 12.393 1.00 0.00 C ATOM 1263 CE1 TYR A 84 -2.224 -15.553 13.305 1.00 0.00 C ATOM 1264 CE2 TYR A 84 -0.133 -16.500 12.641 1.00 0.00 C ATOM 1265 CZ TYR A 84 -1.413 -16.621 13.085 1.00 0.00 C ATOM 1266 OH TYR A 84 -1.903 -17.868 13.319 1.00 0.00 O ATOM 0 H TYR A 84 0.246 -9.687 12.966 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.863 -12.019 14.180 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.322 -12.273 11.441 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.212 -12.745 12.146 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.329 -13.367 13.224 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.400 -15.056 12.040 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.235 -15.691 13.658 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.480 -17.374 12.478 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.213 -18.534 13.118 1.00 0.00 H new ATOM 1276 N ARG A 85 1.587 -12.640 14.947 1.00 0.00 N ATOM 1277 CA ARG A 85 2.799 -12.654 15.747 1.00 0.00 C ATOM 1278 C ARG A 85 3.862 -13.532 15.085 1.00 0.00 C ATOM 1279 O ARG A 85 3.655 -14.731 14.900 1.00 0.00 O ATOM 1280 CB ARG A 85 2.522 -13.177 17.158 1.00 0.00 C ATOM 1281 CG ARG A 85 1.949 -14.595 17.114 1.00 0.00 C ATOM 1282 CD ARG A 85 0.617 -14.671 17.865 1.00 0.00 C ATOM 1283 NE ARG A 85 0.796 -15.405 19.137 1.00 0.00 N ATOM 1284 CZ ARG A 85 1.207 -14.834 20.289 1.00 0.00 C ATOM 1285 NH1 ARG A 85 1.487 -13.514 20.337 1.00 0.00 N ATOM 1286 NH2 ARG A 85 1.332 -15.585 21.367 1.00 0.00 N ATOM 0 H ARG A 85 1.070 -13.519 14.940 1.00 0.00 H new ATOM 0 HA ARG A 85 3.162 -11.628 15.817 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.444 -13.171 17.739 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.821 -12.513 17.665 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.805 -14.901 16.078 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.660 -15.293 17.556 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.244 -13.666 18.064 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.130 -15.171 17.249 1.00 0.00 H new ATOM 0 HE ARG A 85 0.596 -16.405 19.144 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.388 -12.941 19.499 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.797 -13.090 21.211 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.119 -16.582 21.322 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.641 -15.169 22.245 1.00 0.00 H new ATOM 1300 N GLU A 86 4.978 -12.902 14.746 1.00 0.00 N ATOM 1301 CA GLU A 86 6.074 -13.612 14.108 1.00 0.00 C ATOM 1302 C GLU A 86 7.400 -12.903 14.390 1.00 0.00 C ATOM 1303 O GLU A 86 7.414 -11.735 14.774 1.00 0.00 O ATOM 1304 CB GLU A 86 5.835 -13.750 12.603 1.00 0.00 C ATOM 1305 CG GLU A 86 6.107 -15.181 12.134 1.00 0.00 C ATOM 1306 CD GLU A 86 4.822 -15.850 11.643 1.00 0.00 C ATOM 1307 OE1 GLU A 86 3.759 -15.677 12.258 1.00 0.00 O ATOM 1308 OE2 GLU A 86 4.954 -16.571 10.582 1.00 0.00 O ATOM 0 H GLU A 86 5.147 -11.908 14.901 1.00 0.00 H new ATOM 0 HA GLU A 86 6.125 -14.617 14.528 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.807 -13.476 12.368 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.481 -13.058 12.063 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.845 -15.171 11.332 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.533 -15.761 12.952 1.00 0.00 H new ATOM 1315 N PHE A 87 8.482 -13.641 14.189 1.00 0.00 N ATOM 1316 CA PHE A 87 9.811 -13.098 14.417 1.00 0.00 C ATOM 1317 C PHE A 87 10.423 -12.582 13.114 1.00 0.00 C ATOM 1318 O PHE A 87 10.527 -13.322 12.137 1.00 0.00 O ATOM 1319 CB PHE A 87 10.674 -14.240 14.956 1.00 0.00 C ATOM 1320 CG PHE A 87 10.217 -14.779 16.313 1.00 0.00 C ATOM 1321 CD1 PHE A 87 9.109 -15.563 16.395 1.00 0.00 C ATOM 1322 CD2 PHE A 87 10.919 -14.475 17.437 1.00 0.00 C ATOM 1323 CE1 PHE A 87 8.685 -16.064 17.654 1.00 0.00 C ATOM 1324 CE2 PHE A 87 10.495 -14.975 18.696 1.00 0.00 C ATOM 1325 CZ PHE A 87 9.387 -15.759 18.778 1.00 0.00 C ATOM 0 H PHE A 87 8.466 -14.610 13.871 1.00 0.00 H new ATOM 0 HA PHE A 87 9.758 -12.264 15.117 1.00 0.00 H new ATOM 0 HB2 PHE A 87 10.672 -15.056 14.233 1.00 0.00 H new ATOM 0 HB3 PHE A 87 11.704 -13.894 15.042 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.551 -15.805 15.502 1.00 0.00 H new ATOM 0 HD2 PHE A 87 11.799 -13.853 17.372 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.805 -16.687 17.719 1.00 0.00 H new ATOM 0 HE2 PHE A 87 11.052 -14.733 19.589 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.064 -16.139 19.736 1.00 0.00 H new ATOM 1335 N TRP A 88 10.813 -11.316 13.141 1.00 0.00 N ATOM 1336 CA TRP A 88 11.413 -10.692 11.974 1.00 0.00 C ATOM 1337 C TRP A 88 12.902 -11.044 11.962 1.00 0.00 C ATOM 1338 O TRP A 88 13.676 -10.505 12.751 1.00 0.00 O ATOM 1339 CB TRP A 88 11.154 -9.184 11.964 1.00 0.00 C ATOM 1340 CG TRP A 88 11.788 -8.437 13.139 1.00 0.00 C ATOM 1341 CD1 TRP A 88 12.966 -7.799 13.173 1.00 0.00 C ATOM 1342 CD2 TRP A 88 11.225 -8.274 14.458 1.00 0.00 C ATOM 1343 NE1 TRP A 88 13.203 -7.240 14.412 1.00 0.00 N ATOM 1344 CE2 TRP A 88 12.110 -7.537 15.219 1.00 0.00 C ATOM 1345 CE3 TRP A 88 10.008 -8.733 14.991 1.00 0.00 C ATOM 1346 CZ2 TRP A 88 11.873 -7.196 16.555 1.00 0.00 C ATOM 1347 CZ3 TRP A 88 9.785 -8.383 16.328 1.00 0.00 C ATOM 1348 CH2 TRP A 88 10.667 -7.643 17.107 1.00 0.00 C ATOM 0 H TRP A 88 10.725 -10.705 13.953 1.00 0.00 H new ATOM 0 HA TRP A 88 10.959 -11.071 11.058 1.00 0.00 H new ATOM 0 HB2 TRP A 88 11.536 -8.766 11.032 1.00 0.00 H new ATOM 0 HB3 TRP A 88 10.078 -9.010 11.974 1.00 0.00 H new ATOM 0 HD1 TRP A 88 13.645 -7.731 12.336 1.00 0.00 H new ATOM 0 HE1 TRP A 88 14.028 -6.707 14.686 1.00 0.00 H new ATOM 0 HE3 TRP A 88 9.301 -9.310 14.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 12.582 -6.619 17.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 8.864 -8.711 16.786 1.00 0.00 H new ATOM 0 HH2 TRP A 88 10.423 -7.414 18.134 1.00 0.00 H new ATOM 1359 N ALA A 89 13.257 -11.945 11.058 1.00 0.00 N ATOM 1360 CA ALA A 89 14.640 -12.374 10.934 1.00 0.00 C ATOM 1361 C ALA A 89 14.987 -12.538 9.453 1.00 0.00 C ATOM 1362 O ALA A 89 14.570 -13.505 8.817 1.00 0.00 O ATOM 1363 CB ALA A 89 14.847 -13.666 11.728 1.00 0.00 C ATOM 0 H ALA A 89 12.612 -12.390 10.405 1.00 0.00 H new ATOM 0 HA ALA A 89 15.313 -11.624 11.350 1.00 0.00 H new ATOM 0 HB1 ALA A 89 15.884 -13.988 11.635 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.615 -13.489 12.778 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.190 -14.443 11.337 1.00 0.00 H new ATOM 1369 N LYS A 90 15.747 -11.579 8.946 1.00 0.00 N ATOM 1370 CA LYS A 90 16.155 -11.604 7.552 1.00 0.00 C ATOM 1371 C LYS A 90 17.673 -11.776 7.472 1.00 0.00 C ATOM 1372 O LYS A 90 18.414 -10.794 7.501 1.00 0.00 O ATOM 1373 CB LYS A 90 15.636 -10.366 6.819 1.00 0.00 C ATOM 1374 CG LYS A 90 14.445 -10.716 5.924 1.00 0.00 C ATOM 1375 CD LYS A 90 13.586 -9.481 5.647 1.00 0.00 C ATOM 1376 CE LYS A 90 13.911 -8.884 4.276 1.00 0.00 C ATOM 1377 NZ LYS A 90 15.183 -8.128 4.329 1.00 0.00 N ATOM 0 H LYS A 90 16.091 -10.779 9.476 1.00 0.00 H new ATOM 0 HA LYS A 90 15.710 -12.458 7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.340 -9.608 7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 90 16.435 -9.935 6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.803 -11.133 4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.839 -11.485 6.403 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.531 -9.751 5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.756 -8.734 6.422 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.984 -9.679 3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.103 -8.226 3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.297 -7.578 3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.169 -7.482 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 15.978 -8.792 4.426 1.00 0.00 H new ATOM 1391 N PRO A 91 18.102 -13.062 7.370 1.00 0.00 N ATOM 1392 CA PRO A 91 19.518 -13.374 7.286 1.00 0.00 C ATOM 1393 C PRO A 91 20.071 -13.044 5.898 1.00 0.00 C ATOM 1394 O PRO A 91 19.683 -13.662 4.908 1.00 0.00 O ATOM 1395 CB PRO A 91 19.617 -14.852 7.628 1.00 0.00 C ATOM 1396 CG PRO A 91 18.219 -15.418 7.436 1.00 0.00 C ATOM 1397 CD PRO A 91 17.253 -14.249 7.333 1.00 0.00 C ATOM 0 HA PRO A 91 20.121 -12.779 7.972 1.00 0.00 H new ATOM 0 HB2 PRO A 91 20.335 -15.356 6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 91 19.959 -14.994 8.653 1.00 0.00 H new ATOM 0 HG2 PRO A 91 18.175 -16.030 6.535 1.00 0.00 H new ATOM 0 HG3 PRO A 91 17.950 -16.063 8.273 1.00 0.00 H new ATOM 0 HD2 PRO A 91 16.675 -14.293 6.410 1.00 0.00 H new ATOM 0 HD3 PRO A 91 16.539 -14.251 8.157 1.00 0.00 H new ATOM 1405 N LYS A 92 20.968 -12.069 5.870 1.00 0.00 N ATOM 1406 CA LYS A 92 21.578 -11.649 4.620 1.00 0.00 C ATOM 1407 C LYS A 92 23.034 -12.120 4.584 1.00 0.00 C ATOM 1408 O LYS A 92 23.631 -12.381 5.627 1.00 0.00 O ATOM 1409 CB LYS A 92 21.415 -10.141 4.425 1.00 0.00 C ATOM 1410 CG LYS A 92 21.891 -9.373 5.660 1.00 0.00 C ATOM 1411 CD LYS A 92 20.722 -9.066 6.599 1.00 0.00 C ATOM 1412 CE LYS A 92 20.917 -7.716 7.293 1.00 0.00 C ATOM 1413 NZ LYS A 92 21.213 -7.911 8.730 1.00 0.00 N ATOM 0 H LYS A 92 21.287 -11.558 6.693 1.00 0.00 H new ATOM 0 HA LYS A 92 21.071 -12.113 3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 92 21.983 -9.820 3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 92 20.369 -9.907 4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 92 22.643 -9.958 6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 92 22.369 -8.443 5.352 1.00 0.00 H new ATOM 0 HD2 LYS A 92 19.790 -9.058 6.034 1.00 0.00 H new ATOM 0 HD3 LYS A 92 20.635 -9.854 7.347 1.00 0.00 H new ATOM 0 HE2 LYS A 92 21.733 -7.171 6.818 1.00 0.00 H new ATOM 0 HE3 LYS A 92 20.019 -7.109 7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 21.343 -6.986 9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 20.422 -8.412 9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 22.083 -8.472 8.832 1.00 0.00 H new ATOM 1427 N PRO A 93 23.576 -12.216 3.341 1.00 0.00 N ATOM 1428 CA PRO A 93 24.950 -12.651 3.156 1.00 0.00 C ATOM 1429 C PRO A 93 25.933 -11.541 3.536 1.00 0.00 C ATOM 1430 O PRO A 93 26.154 -10.611 2.763 1.00 0.00 O ATOM 1431 CB PRO A 93 25.043 -13.050 1.692 1.00 0.00 C ATOM 1432 CG PRO A 93 23.858 -12.390 1.005 1.00 0.00 C ATOM 1433 CD PRO A 93 22.899 -11.915 2.084 1.00 0.00 C ATOM 0 HA PRO A 93 25.216 -13.488 3.801 1.00 0.00 H new ATOM 0 HB2 PRO A 93 25.984 -12.716 1.255 1.00 0.00 H new ATOM 0 HB3 PRO A 93 25.006 -14.134 1.579 1.00 0.00 H new ATOM 0 HG2 PRO A 93 24.190 -11.551 0.393 1.00 0.00 H new ATOM 0 HG3 PRO A 93 23.363 -13.095 0.337 1.00 0.00 H new ATOM 0 HD2 PRO A 93 22.694 -10.849 1.990 1.00 0.00 H new ATOM 0 HD3 PRO A 93 21.941 -12.431 2.017 1.00 0.00 H new TER 1441 PRO A 93