USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 834 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00595 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 20 LYS NZ :NH3+ -148:sc= 1.05 (180deg=-0.163) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 25 TYR OH : rot -179:sc= -0.529 USER MOD Single : A 27 CYS SG : rot 64:sc= 0.429 USER MOD Single : A 29 CYS SG : rot 14:sc= 0.143 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -124:sc= -0.0176 (180deg=-0.651) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 12:sc= -0.473 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -179:sc= -5.2! (180deg=-5.37!) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.68 K(o=-0.68,f=-1.3) USER MOD Single : A 66 LYS NZ :NH3+ -118:sc= -0.157 (180deg=-1.14) USER MOD Single : A 67 HIS : no HD1:sc= -3.87! C(o=-3.9!,f=-9.4!) USER MOD Single : A 70 ASN : amide:sc= -2.13 K(o=-2.1,f=-1.4!) USER MOD Single : A 71 TYR OH : rot 23:sc= 0.498 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -2.73! K(o=-2.7!,f=-0.41) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 54:sc= 0.556 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= -2.67! C(o=-2.7!,f=-2.8!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.326 34.865 -21.948 1.00 0.00 N ATOM 2 CA GLY A 1 1.598 34.282 -22.335 1.00 0.00 C ATOM 3 C GLY A 1 2.644 35.333 -22.652 1.00 0.00 C ATOM 4 O GLY A 1 3.293 35.277 -23.697 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.355 34.107 -21.742 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.457 35.453 -21.100 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.037 35.454 -22.725 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.961 33.643 -21.530 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.452 33.644 -23.207 1.00 0.00 H new ATOM 8 N SER A 2 2.807 36.295 -21.749 1.00 0.00 N ATOM 9 CA SER A 2 3.777 37.367 -21.941 1.00 0.00 C ATOM 10 C SER A 2 5.154 36.949 -21.434 1.00 0.00 C ATOM 11 O SER A 2 5.271 36.124 -20.527 1.00 0.00 O ATOM 12 CB SER A 2 3.319 38.634 -21.216 1.00 0.00 C ATOM 13 OG SER A 2 3.814 39.796 -21.858 1.00 0.00 O ATOM 0 H SER A 2 2.280 36.354 -20.878 1.00 0.00 H new ATOM 0 HA SER A 2 3.848 37.573 -23.009 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.230 38.667 -21.187 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.665 38.610 -20.183 1.00 0.00 H new ATOM 0 HG SER A 2 3.506 40.592 -21.377 1.00 0.00 H new ATOM 19 N SER A 3 6.195 37.523 -22.028 1.00 0.00 N ATOM 20 CA SER A 3 7.566 37.209 -21.640 1.00 0.00 C ATOM 21 C SER A 3 7.782 37.461 -20.151 1.00 0.00 C ATOM 22 O SER A 3 7.580 38.572 -19.663 1.00 0.00 O ATOM 23 CB SER A 3 8.553 38.043 -22.459 1.00 0.00 C ATOM 24 OG SER A 3 8.428 37.768 -23.844 1.00 0.00 O ATOM 0 H SER A 3 6.116 38.208 -22.780 1.00 0.00 H new ATOM 0 HA SER A 3 7.741 36.152 -21.840 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.375 39.103 -22.278 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.571 37.830 -22.133 1.00 0.00 H new ATOM 0 HG SER A 3 9.068 38.315 -24.345 1.00 0.00 H new ATOM 30 N GLY A 4 8.193 36.421 -19.434 1.00 0.00 N ATOM 31 CA GLY A 4 8.430 36.548 -18.009 1.00 0.00 C ATOM 32 C GLY A 4 9.762 35.963 -17.587 1.00 0.00 C ATOM 33 O GLY A 4 10.752 36.069 -18.311 1.00 0.00 O ATOM 0 H GLY A 4 8.366 35.491 -19.815 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.395 37.601 -17.731 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.629 36.048 -17.465 1.00 0.00 H new ATOM 37 N SER A 5 9.790 35.343 -16.411 1.00 0.00 N ATOM 38 CA SER A 5 11.012 34.743 -15.891 1.00 0.00 C ATOM 39 C SER A 5 11.008 33.232 -16.103 1.00 0.00 C ATOM 40 O SER A 5 9.951 32.615 -16.235 1.00 0.00 O ATOM 41 CB SER A 5 11.168 35.060 -14.403 1.00 0.00 C ATOM 42 OG SER A 5 11.844 36.290 -14.212 1.00 0.00 O ATOM 0 H SER A 5 8.979 35.243 -15.800 1.00 0.00 H new ATOM 0 HA SER A 5 11.856 35.167 -16.436 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.186 35.104 -13.933 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.720 34.258 -13.913 1.00 0.00 H new ATOM 0 HG SER A 5 11.930 36.471 -13.253 1.00 0.00 H new ATOM 48 N SER A 6 12.198 32.642 -16.135 1.00 0.00 N ATOM 49 CA SER A 6 12.334 31.204 -16.334 1.00 0.00 C ATOM 50 C SER A 6 13.161 30.575 -15.217 1.00 0.00 C ATOM 51 O SER A 6 13.993 31.237 -14.598 1.00 0.00 O ATOM 52 CB SER A 6 12.983 30.914 -17.689 1.00 0.00 C ATOM 53 OG SER A 6 13.232 29.529 -17.849 1.00 0.00 O ATOM 0 H SER A 6 13.083 33.138 -16.026 1.00 0.00 H new ATOM 0 HA SER A 6 11.337 30.765 -16.315 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.332 31.265 -18.490 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.918 31.467 -17.773 1.00 0.00 H new ATOM 0 HG SER A 6 13.645 29.370 -18.723 1.00 0.00 H new ATOM 59 N GLY A 7 12.925 29.291 -14.964 1.00 0.00 N ATOM 60 CA GLY A 7 13.656 28.593 -13.922 1.00 0.00 C ATOM 61 C GLY A 7 12.820 28.373 -12.677 1.00 0.00 C ATOM 62 O GLY A 7 11.614 28.144 -12.764 1.00 0.00 O ATOM 0 H GLY A 7 12.241 28.722 -15.462 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.995 27.630 -14.303 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.547 29.165 -13.662 1.00 0.00 H new ATOM 66 N MET A 8 13.462 28.440 -11.515 1.00 0.00 N ATOM 67 CA MET A 8 12.769 28.245 -10.247 1.00 0.00 C ATOM 68 C MET A 8 12.692 29.552 -9.464 1.00 0.00 C ATOM 69 O MET A 8 13.715 30.126 -9.093 1.00 0.00 O ATOM 70 CB MET A 8 13.479 27.178 -9.412 1.00 0.00 C ATOM 71 CG MET A 8 14.829 27.625 -8.875 1.00 0.00 C ATOM 72 SD MET A 8 15.940 26.243 -8.549 1.00 0.00 S ATOM 73 CE MET A 8 17.428 26.803 -9.373 1.00 0.00 C ATOM 0 H MET A 8 14.461 28.628 -11.426 1.00 0.00 H new ATOM 0 HA MET A 8 11.754 27.911 -10.463 1.00 0.00 H new ATOM 0 HB2 MET A 8 12.839 26.898 -8.575 1.00 0.00 H new ATOM 0 HB3 MET A 8 13.617 26.284 -10.021 1.00 0.00 H new ATOM 0 HG2 MET A 8 15.296 28.300 -9.593 1.00 0.00 H new ATOM 0 HG3 MET A 8 14.680 28.191 -7.956 1.00 0.00 H new ATOM 0 HE1 MET A 8 18.211 26.053 -9.260 1.00 0.00 H new ATOM 0 HE2 MET A 8 17.222 26.956 -10.432 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.759 27.742 -8.929 1.00 0.00 H new ATOM 83 N SER A 9 11.471 30.016 -9.215 1.00 0.00 N ATOM 84 CA SER A 9 11.260 31.256 -8.479 1.00 0.00 C ATOM 85 C SER A 9 11.577 31.070 -6.998 1.00 0.00 C ATOM 86 O SER A 9 11.696 29.945 -6.513 1.00 0.00 O ATOM 87 CB SER A 9 9.817 31.734 -8.646 1.00 0.00 C ATOM 88 OG SER A 9 9.729 33.144 -8.526 1.00 0.00 O ATOM 0 H SER A 9 10.613 29.551 -9.513 1.00 0.00 H new ATOM 0 HA SER A 9 11.935 32.009 -8.886 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.439 31.425 -9.620 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.185 31.262 -7.894 1.00 0.00 H new ATOM 0 HG SER A 9 8.797 33.424 -8.638 1.00 0.00 H new ATOM 94 N VAL A 10 11.713 32.184 -6.284 1.00 0.00 N ATOM 95 CA VAL A 10 12.016 32.145 -4.858 1.00 0.00 C ATOM 96 C VAL A 10 10.883 31.492 -4.074 1.00 0.00 C ATOM 97 O VAL A 10 11.121 30.695 -3.166 1.00 0.00 O ATOM 98 CB VAL A 10 12.265 33.558 -4.299 1.00 0.00 C ATOM 99 CG1 VAL A 10 11.090 34.471 -4.612 1.00 0.00 C ATOM 100 CG2 VAL A 10 12.521 33.500 -2.801 1.00 0.00 C ATOM 0 H VAL A 10 11.618 33.123 -6.670 1.00 0.00 H new ATOM 0 HA VAL A 10 12.923 31.552 -4.742 1.00 0.00 H new ATOM 0 HB VAL A 10 13.152 33.969 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.284 35.465 -4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.958 34.537 -5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.184 34.067 -4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.695 34.507 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.654 33.069 -2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.398 32.882 -2.605 1.00 0.00 H new ATOM 110 N ASP A 11 9.649 31.835 -4.429 1.00 0.00 N ATOM 111 CA ASP A 11 8.479 31.282 -3.759 1.00 0.00 C ATOM 112 C ASP A 11 8.071 29.954 -4.389 1.00 0.00 C ATOM 113 O ASP A 11 7.259 29.215 -3.832 1.00 0.00 O ATOM 114 CB ASP A 11 7.314 32.271 -3.824 1.00 0.00 C ATOM 115 CG ASP A 11 7.779 33.713 -3.852 1.00 0.00 C ATOM 116 OD1 ASP A 11 8.312 34.185 -2.826 1.00 0.00 O ATOM 117 OD2 ASP A 11 7.610 34.370 -4.900 1.00 0.00 O ATOM 0 H ASP A 11 9.434 32.494 -5.177 1.00 0.00 H new ATOM 0 HA ASP A 11 8.737 31.105 -2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.718 32.067 -4.713 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.664 32.119 -2.963 1.00 0.00 H new ATOM 122 N ALA A 12 8.638 29.657 -5.553 1.00 0.00 N ATOM 123 CA ALA A 12 8.334 28.418 -6.258 1.00 0.00 C ATOM 124 C ALA A 12 8.718 27.202 -5.421 1.00 0.00 C ATOM 125 O ALA A 12 7.978 26.221 -5.356 1.00 0.00 O ATOM 126 CB ALA A 12 9.049 28.384 -7.600 1.00 0.00 C ATOM 0 H ALA A 12 9.311 30.258 -6.028 1.00 0.00 H new ATOM 0 HA ALA A 12 7.258 28.383 -6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.812 27.453 -8.115 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.722 29.228 -8.208 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.125 28.447 -7.440 1.00 0.00 H new ATOM 132 N VAL A 13 9.881 27.274 -4.781 1.00 0.00 N ATOM 133 CA VAL A 13 10.364 26.179 -3.948 1.00 0.00 C ATOM 134 C VAL A 13 9.393 25.885 -2.810 1.00 0.00 C ATOM 135 O VAL A 13 9.241 24.738 -2.391 1.00 0.00 O ATOM 136 CB VAL A 13 11.751 26.493 -3.356 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.743 27.851 -2.670 1.00 0.00 C ATOM 138 CG2 VAL A 13 12.177 25.400 -2.389 1.00 0.00 C ATOM 0 H VAL A 13 10.506 28.079 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 13 10.442 25.303 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 13 12.475 26.528 -4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.731 28.056 -2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.485 28.623 -3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.008 27.848 -1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.159 25.638 -1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.453 25.330 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.225 24.447 -2.915 1.00 0.00 H new ATOM 148 N GLU A 14 8.737 26.930 -2.314 1.00 0.00 N ATOM 149 CA GLU A 14 7.780 26.783 -1.223 1.00 0.00 C ATOM 150 C GLU A 14 6.551 26.005 -1.680 1.00 0.00 C ATOM 151 O GLU A 14 6.302 24.890 -1.219 1.00 0.00 O ATOM 152 CB GLU A 14 7.361 28.157 -0.694 1.00 0.00 C ATOM 153 CG GLU A 14 6.658 28.102 0.651 1.00 0.00 C ATOM 154 CD GLU A 14 6.857 29.366 1.466 1.00 0.00 C ATOM 155 OE1 GLU A 14 7.899 29.475 2.145 1.00 0.00 O ATOM 156 OE2 GLU A 14 5.972 30.245 1.423 1.00 0.00 O ATOM 0 H GLU A 14 8.851 27.886 -2.650 1.00 0.00 H new ATOM 0 HA GLU A 14 8.264 26.226 -0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.245 28.789 -0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.701 28.631 -1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.592 27.940 0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.030 27.247 1.216 1.00 0.00 H new ATOM 163 N ILE A 15 5.784 26.600 -2.588 1.00 0.00 N ATOM 164 CA ILE A 15 4.580 25.963 -3.107 1.00 0.00 C ATOM 165 C ILE A 15 4.862 24.530 -3.546 1.00 0.00 C ATOM 166 O ILE A 15 4.023 23.645 -3.385 1.00 0.00 O ATOM 167 CB ILE A 15 3.997 26.747 -4.298 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.490 26.506 -4.406 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.697 26.347 -5.589 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.799 27.434 -5.381 1.00 0.00 C ATOM 0 H ILE A 15 5.975 27.522 -2.979 1.00 0.00 H new ATOM 0 HA ILE A 15 3.852 25.956 -2.296 1.00 0.00 H new ATOM 0 HB ILE A 15 4.165 27.811 -4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.316 25.475 -4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.039 26.626 -3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.274 26.909 -6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.762 26.565 -5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.557 25.280 -5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.733 27.207 -5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.942 28.467 -5.064 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.223 27.298 -6.376 1.00 0.00 H new ATOM 182 N GLU A 16 6.051 24.308 -4.099 1.00 0.00 N ATOM 183 CA GLU A 16 6.444 22.983 -4.559 1.00 0.00 C ATOM 184 C GLU A 16 6.702 22.050 -3.378 1.00 0.00 C ATOM 185 O GLU A 16 6.295 20.888 -3.389 1.00 0.00 O ATOM 186 CB GLU A 16 7.697 23.072 -5.434 1.00 0.00 C ATOM 187 CG GLU A 16 7.518 23.945 -6.664 1.00 0.00 C ATOM 188 CD GLU A 16 7.037 23.162 -7.870 1.00 0.00 C ATOM 189 OE1 GLU A 16 7.874 22.499 -8.518 1.00 0.00 O ATOM 190 OE2 GLU A 16 5.825 23.214 -8.167 1.00 0.00 O ATOM 0 H GLU A 16 6.758 25.030 -4.239 1.00 0.00 H new ATOM 0 HA GLU A 16 5.624 22.575 -5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.520 23.464 -4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.982 22.068 -5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.804 24.738 -6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.465 24.428 -6.903 1.00 0.00 H new ATOM 197 N THR A 17 7.380 22.569 -2.359 1.00 0.00 N ATOM 198 CA THR A 17 7.693 21.785 -1.172 1.00 0.00 C ATOM 199 C THR A 17 6.426 21.398 -0.417 1.00 0.00 C ATOM 200 O THR A 17 6.306 20.280 0.085 1.00 0.00 O ATOM 201 CB THR A 17 8.628 22.555 -0.220 1.00 0.00 C ATOM 202 OG1 THR A 17 9.931 22.671 -0.802 1.00 0.00 O ATOM 203 CG2 THR A 17 8.729 21.852 1.126 1.00 0.00 C ATOM 0 H THR A 17 7.723 23.529 -2.333 1.00 0.00 H new ATOM 0 HA THR A 17 8.198 20.882 -1.515 1.00 0.00 H new ATOM 0 HB THR A 17 8.211 23.549 -0.062 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.970 23.477 -1.358 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.394 22.414 1.781 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.740 21.791 1.580 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.125 20.847 0.983 1.00 0.00 H new ATOM 211 N LEU A 18 5.480 22.328 -0.343 1.00 0.00 N ATOM 212 CA LEU A 18 4.220 22.084 0.349 1.00 0.00 C ATOM 213 C LEU A 18 3.491 20.887 -0.252 1.00 0.00 C ATOM 214 O LEU A 18 3.001 20.019 0.470 1.00 0.00 O ATOM 215 CB LEU A 18 3.329 23.326 0.279 1.00 0.00 C ATOM 216 CG LEU A 18 3.620 24.419 1.309 1.00 0.00 C ATOM 217 CD1 LEU A 18 2.815 25.672 0.999 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.316 23.922 2.715 1.00 0.00 C ATOM 0 H LEU A 18 5.562 23.258 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 18 4.444 21.863 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.421 23.759 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.292 23.012 0.395 1.00 0.00 H new ATOM 0 HG LEU A 18 4.679 24.670 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.035 26.439 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.082 26.040 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.751 25.436 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.529 24.713 3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.264 23.643 2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.937 23.054 2.936 1.00 0.00 H new ATOM 230 N ARG A 19 3.424 20.847 -1.579 1.00 0.00 N ATOM 231 CA ARG A 19 2.755 19.756 -2.278 1.00 0.00 C ATOM 232 C ARG A 19 3.353 18.409 -1.881 1.00 0.00 C ATOM 233 O ARG A 19 2.650 17.400 -1.821 1.00 0.00 O ATOM 234 CB ARG A 19 2.866 19.948 -3.792 1.00 0.00 C ATOM 235 CG ARG A 19 1.881 20.963 -4.351 1.00 0.00 C ATOM 236 CD ARG A 19 2.161 21.260 -5.816 1.00 0.00 C ATOM 237 NE ARG A 19 1.368 22.385 -6.307 1.00 0.00 N ATOM 238 CZ ARG A 19 1.148 22.623 -7.594 1.00 0.00 C ATOM 239 NH1 ARG A 19 1.658 21.818 -8.517 1.00 0.00 N ATOM 240 NH2 ARG A 19 0.417 23.668 -7.962 1.00 0.00 N ATOM 0 H ARG A 19 3.825 21.557 -2.191 1.00 0.00 H new ATOM 0 HA ARG A 19 1.703 19.766 -1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.880 20.265 -4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.705 18.989 -4.284 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.865 20.584 -4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.940 21.886 -3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.221 21.479 -5.945 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.943 20.375 -6.414 1.00 0.00 H new ATOM 0 HE ARG A 19 0.961 23.023 -5.623 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.221 21.014 -8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.488 22.003 -9.506 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.024 24.289 -7.255 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.249 23.850 -8.951 1.00 0.00 H new ATOM 254 N LYS A 20 4.652 18.402 -1.609 1.00 0.00 N ATOM 255 CA LYS A 20 5.346 17.180 -1.216 1.00 0.00 C ATOM 256 C LYS A 20 4.927 16.744 0.184 1.00 0.00 C ATOM 257 O LYS A 20 4.433 15.632 0.379 1.00 0.00 O ATOM 258 CB LYS A 20 6.860 17.390 -1.265 1.00 0.00 C ATOM 259 CG LYS A 20 7.481 17.036 -2.606 1.00 0.00 C ATOM 260 CD LYS A 20 7.505 18.232 -3.543 1.00 0.00 C ATOM 261 CE LYS A 20 6.243 18.303 -4.389 1.00 0.00 C ATOM 262 NZ LYS A 20 6.112 17.125 -5.289 1.00 0.00 N ATOM 0 H LYS A 20 5.247 19.229 -1.653 1.00 0.00 H new ATOM 0 HA LYS A 20 5.072 16.394 -1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.081 18.432 -1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.327 16.786 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.497 16.672 -2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.918 16.224 -3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.607 19.149 -2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.377 18.168 -4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.371 18.361 -3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.256 19.216 -4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.630 17.410 -6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.057 16.756 -5.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.557 16.385 -4.814 1.00 0.00 H new ATOM 276 N THR A 21 5.126 17.627 1.158 1.00 0.00 N ATOM 277 CA THR A 21 4.769 17.333 2.541 1.00 0.00 C ATOM 278 C THR A 21 3.441 16.591 2.619 1.00 0.00 C ATOM 279 O THR A 21 3.313 15.600 3.339 1.00 0.00 O ATOM 280 CB THR A 21 4.677 18.619 3.382 1.00 0.00 C ATOM 281 OG1 THR A 21 5.818 19.450 3.135 1.00 0.00 O ATOM 282 CG2 THR A 21 4.593 18.292 4.865 1.00 0.00 C ATOM 0 H THR A 21 5.532 18.552 1.015 1.00 0.00 H new ATOM 0 HA THR A 21 5.559 16.700 2.945 1.00 0.00 H new ATOM 0 HB THR A 21 3.771 19.151 3.092 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.751 20.267 3.673 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.529 19.217 5.438 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.707 17.685 5.054 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.483 17.739 5.167 1.00 0.00 H new ATOM 290 N VAL A 22 2.451 17.077 1.875 1.00 0.00 N ATOM 291 CA VAL A 22 1.132 16.458 1.860 1.00 0.00 C ATOM 292 C VAL A 22 1.155 15.132 1.107 1.00 0.00 C ATOM 293 O VAL A 22 0.457 14.187 1.475 1.00 0.00 O ATOM 294 CB VAL A 22 0.085 17.384 1.212 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.305 16.773 1.314 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.119 18.760 1.859 1.00 0.00 C ATOM 0 H VAL A 22 2.539 17.897 1.275 1.00 0.00 H new ATOM 0 HA VAL A 22 0.855 16.278 2.899 1.00 0.00 H new ATOM 0 HB VAL A 22 0.330 17.497 0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.031 17.441 0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.318 15.811 0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.563 16.628 2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.627 19.401 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.100 18.667 2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.108 19.199 1.729 1.00 0.00 H new ATOM 306 N GLU A 23 1.963 15.070 0.054 1.00 0.00 N ATOM 307 CA GLU A 23 2.076 13.858 -0.750 1.00 0.00 C ATOM 308 C GLU A 23 2.511 12.674 0.109 1.00 0.00 C ATOM 309 O GLU A 23 1.994 11.566 -0.036 1.00 0.00 O ATOM 310 CB GLU A 23 3.075 14.069 -1.890 1.00 0.00 C ATOM 311 CG GLU A 23 2.440 14.601 -3.164 1.00 0.00 C ATOM 312 CD GLU A 23 3.442 14.766 -4.291 1.00 0.00 C ATOM 313 OE1 GLU A 23 4.608 15.109 -4.003 1.00 0.00 O ATOM 314 OE2 GLU A 23 3.060 14.551 -5.460 1.00 0.00 O ATOM 0 H GLU A 23 2.548 15.843 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 23 1.095 13.638 -1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.847 14.764 -1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.570 13.123 -2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.649 13.922 -3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.970 15.562 -2.957 1.00 0.00 H new ATOM 321 N ASP A 24 3.464 12.917 1.002 1.00 0.00 N ATOM 322 CA ASP A 24 3.967 11.872 1.885 1.00 0.00 C ATOM 323 C ASP A 24 2.949 11.540 2.972 1.00 0.00 C ATOM 324 O ASP A 24 2.728 10.373 3.293 1.00 0.00 O ATOM 325 CB ASP A 24 5.289 12.306 2.522 1.00 0.00 C ATOM 326 CG ASP A 24 6.208 11.133 2.805 1.00 0.00 C ATOM 327 OD1 ASP A 24 6.480 10.353 1.869 1.00 0.00 O ATOM 328 OD2 ASP A 24 6.655 10.998 3.963 1.00 0.00 O ATOM 0 H ASP A 24 3.903 13.828 1.133 1.00 0.00 H new ATOM 0 HA ASP A 24 4.137 10.977 1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.795 13.009 1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.084 12.836 3.452 1.00 0.00 H new ATOM 333 N TYR A 25 2.334 12.574 3.534 1.00 0.00 N ATOM 334 CA TYR A 25 1.343 12.393 4.587 1.00 0.00 C ATOM 335 C TYR A 25 0.293 11.364 4.177 1.00 0.00 C ATOM 336 O TYR A 25 0.130 10.333 4.827 1.00 0.00 O ATOM 337 CB TYR A 25 0.665 13.726 4.914 1.00 0.00 C ATOM 338 CG TYR A 25 0.167 13.819 6.339 1.00 0.00 C ATOM 339 CD1 TYR A 25 1.032 14.142 7.377 1.00 0.00 C ATOM 340 CD2 TYR A 25 -1.166 13.582 6.646 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.581 14.227 8.680 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.626 13.666 7.946 1.00 0.00 C ATOM 343 CZ TYR A 25 -0.749 13.989 8.960 1.00 0.00 C ATOM 344 OH TYR A 25 -1.202 14.073 10.256 1.00 0.00 O ATOM 0 H TYR A 25 2.504 13.546 3.278 1.00 0.00 H new ATOM 0 HA TYR A 25 1.858 12.027 5.475 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.370 14.537 4.731 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.174 13.873 4.234 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.074 14.330 7.162 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.856 13.327 5.855 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.266 14.479 9.476 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.667 13.480 8.167 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.159 13.862 10.282 1.00 0.00 H new ATOM 354 N PHE A 26 -0.416 11.654 3.090 1.00 0.00 N ATOM 355 CA PHE A 26 -1.451 10.755 2.590 1.00 0.00 C ATOM 356 C PHE A 26 -0.944 9.317 2.544 1.00 0.00 C ATOM 357 O PHE A 26 -1.688 8.376 2.825 1.00 0.00 O ATOM 358 CB PHE A 26 -1.907 11.194 1.198 1.00 0.00 C ATOM 359 CG PHE A 26 -2.692 12.474 1.200 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.687 12.691 2.139 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.434 13.461 0.262 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.411 13.868 2.144 1.00 0.00 C ATOM 363 CE2 PHE A 26 -3.155 14.641 0.262 1.00 0.00 C ATOM 364 CZ PHE A 26 -4.145 14.845 1.203 1.00 0.00 C ATOM 0 H PHE A 26 -0.293 12.504 2.539 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.300 10.800 3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.032 11.315 0.559 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.516 10.404 0.758 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.900 11.931 2.876 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.662 13.307 -0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.184 14.024 2.882 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.944 15.403 -0.474 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.710 15.765 1.204 1.00 0.00 H new ATOM 374 N CYS A 27 0.325 9.154 2.185 1.00 0.00 N ATOM 375 CA CYS A 27 0.930 7.830 2.099 1.00 0.00 C ATOM 376 C CYS A 27 1.098 7.217 3.486 1.00 0.00 C ATOM 377 O CYS A 27 0.826 6.034 3.690 1.00 0.00 O ATOM 378 CB CYS A 27 2.287 7.912 1.397 1.00 0.00 C ATOM 379 SG CYS A 27 2.238 8.738 -0.210 1.00 0.00 S ATOM 0 H CYS A 27 0.954 9.922 1.949 1.00 0.00 H new ATOM 0 HA CYS A 27 0.265 7.191 1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.987 8.440 2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.676 6.903 1.263 1.00 0.00 H new ATOM 0 HG CYS A 27 1.893 9.981 -0.049 1.00 0.00 H new ATOM 385 N PHE A 28 1.549 8.030 4.435 1.00 0.00 N ATOM 386 CA PHE A 28 1.755 7.568 5.803 1.00 0.00 C ATOM 387 C PHE A 28 0.457 7.030 6.398 1.00 0.00 C ATOM 388 O PHE A 28 0.391 5.881 6.836 1.00 0.00 O ATOM 389 CB PHE A 28 2.294 8.705 6.673 1.00 0.00 C ATOM 390 CG PHE A 28 1.956 8.559 8.128 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.552 7.569 8.895 1.00 0.00 C ATOM 392 CD2 PHE A 28 1.043 9.409 8.730 1.00 0.00 C ATOM 393 CE1 PHE A 28 2.244 7.432 10.235 1.00 0.00 C ATOM 394 CE2 PHE A 28 0.732 9.276 10.071 1.00 0.00 C ATOM 395 CZ PHE A 28 1.331 8.286 10.824 1.00 0.00 C ATOM 0 H PHE A 28 1.779 9.012 4.282 1.00 0.00 H new ATOM 0 HA PHE A 28 2.486 6.760 5.779 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.377 8.753 6.563 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.894 9.651 6.309 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.265 6.898 8.440 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.569 10.184 8.146 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.716 6.658 10.822 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.020 9.947 10.529 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.087 8.179 11.871 1.00 0.00 H new ATOM 405 N CYS A 29 -0.574 7.868 6.409 1.00 0.00 N ATOM 406 CA CYS A 29 -1.871 7.479 6.949 1.00 0.00 C ATOM 407 C CYS A 29 -2.368 6.192 6.298 1.00 0.00 C ATOM 408 O CYS A 29 -2.818 5.272 6.981 1.00 0.00 O ATOM 409 CB CYS A 29 -2.891 8.598 6.740 1.00 0.00 C ATOM 410 SG CYS A 29 -2.586 10.073 7.741 1.00 0.00 S ATOM 0 H CYS A 29 -0.536 8.822 6.050 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.753 7.301 8.018 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.893 8.881 5.687 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.886 8.216 6.970 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.389 10.015 8.245 1.00 0.00 H new ATOM 416 N TYR A 30 -2.285 6.136 4.973 1.00 0.00 N ATOM 417 CA TYR A 30 -2.730 4.965 4.229 1.00 0.00 C ATOM 418 C TYR A 30 -1.973 3.716 4.672 1.00 0.00 C ATOM 419 O TYR A 30 -2.545 2.813 5.281 1.00 0.00 O ATOM 420 CB TYR A 30 -2.537 5.184 2.728 1.00 0.00 C ATOM 421 CG TYR A 30 -2.980 4.012 1.882 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.143 3.314 2.182 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.233 3.601 0.784 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.551 2.242 1.412 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.635 2.531 0.008 1.00 0.00 C ATOM 426 CZ TYR A 30 -3.794 1.854 0.326 1.00 0.00 C ATOM 427 OH TYR A 30 -4.196 0.787 -0.443 1.00 0.00 O ATOM 0 H TYR A 30 -1.914 6.888 4.393 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.790 4.818 4.436 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.093 6.071 2.425 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.484 5.385 2.531 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.738 3.614 3.032 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.323 4.127 0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.458 1.710 1.659 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.045 2.226 -0.843 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.553 0.646 -1.169 1.00 0.00 H new ATOM 437 N GLY A 31 -0.680 3.675 4.364 1.00 0.00 N ATOM 438 CA GLY A 31 0.136 2.536 4.738 1.00 0.00 C ATOM 439 C GLY A 31 0.070 2.238 6.223 1.00 0.00 C ATOM 440 O GLY A 31 0.184 1.084 6.638 1.00 0.00 O ATOM 0 H GLY A 31 -0.184 4.411 3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.192 1.659 4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.171 2.726 4.454 1.00 0.00 H new ATOM 444 N LYS A 32 -0.114 3.280 7.027 1.00 0.00 N ATOM 445 CA LYS A 32 -0.195 3.125 8.474 1.00 0.00 C ATOM 446 C LYS A 32 -1.462 2.374 8.871 1.00 0.00 C ATOM 447 O LYS A 32 -1.432 1.503 9.740 1.00 0.00 O ATOM 448 CB LYS A 32 -0.168 4.495 9.157 1.00 0.00 C ATOM 449 CG LYS A 32 -0.696 4.476 10.580 1.00 0.00 C ATOM 450 CD LYS A 32 -2.196 4.717 10.622 1.00 0.00 C ATOM 451 CE LYS A 32 -2.613 5.414 11.908 1.00 0.00 C ATOM 452 NZ LYS A 32 -3.998 5.047 12.314 1.00 0.00 N ATOM 0 H LYS A 32 -0.210 4.241 6.700 1.00 0.00 H new ATOM 0 HA LYS A 32 0.668 2.545 8.800 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.856 4.868 9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.759 5.197 8.568 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.468 3.515 11.041 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.187 5.240 11.168 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.492 5.323 9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.721 3.766 10.536 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.919 5.150 12.706 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.548 6.494 11.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.244 5.543 13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.664 5.322 11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.054 4.020 12.467 1.00 0.00 H new ATOM 466 N ALA A 33 -2.573 2.714 8.226 1.00 0.00 N ATOM 467 CA ALA A 33 -3.849 2.067 8.509 1.00 0.00 C ATOM 468 C ALA A 33 -3.848 0.619 8.033 1.00 0.00 C ATOM 469 O ALA A 33 -4.554 -0.227 8.585 1.00 0.00 O ATOM 470 CB ALA A 33 -4.987 2.840 7.858 1.00 0.00 C ATOM 0 H ALA A 33 -2.616 3.433 7.504 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.997 2.065 9.589 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.934 2.347 8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.008 3.856 8.251 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.835 2.871 6.779 1.00 0.00 H new ATOM 476 N LEU A 34 -3.055 0.340 7.005 1.00 0.00 N ATOM 477 CA LEU A 34 -2.963 -1.008 6.453 1.00 0.00 C ATOM 478 C LEU A 34 -2.344 -1.969 7.463 1.00 0.00 C ATOM 479 O LEU A 34 -2.675 -3.154 7.492 1.00 0.00 O ATOM 480 CB LEU A 34 -2.135 -0.999 5.167 1.00 0.00 C ATOM 481 CG LEU A 34 -2.913 -0.769 3.870 1.00 0.00 C ATOM 482 CD1 LEU A 34 -1.978 -0.312 2.762 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.650 -2.036 3.460 1.00 0.00 C ATOM 0 H LEU A 34 -2.466 1.029 6.536 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.973 -1.350 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.374 -0.223 5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.611 -1.952 5.089 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.649 0.016 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.548 -0.153 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.495 0.620 3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.219 -1.075 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.198 -1.855 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.931 -2.841 3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.349 -2.321 4.246 1.00 0.00 H new ATOM 495 N GLY A 35 -1.445 -1.449 8.293 1.00 0.00 N ATOM 496 CA GLY A 35 -0.795 -2.274 9.295 1.00 0.00 C ATOM 497 C GLY A 35 0.576 -2.748 8.856 1.00 0.00 C ATOM 498 O GLY A 35 1.071 -3.770 9.330 1.00 0.00 O ATOM 0 H GLY A 35 -1.155 -0.471 8.290 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.701 -1.708 10.222 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.422 -3.138 9.512 1.00 0.00 H new ATOM 502 N LYS A 36 1.195 -2.003 7.945 1.00 0.00 N ATOM 503 CA LYS A 36 2.516 -2.351 7.440 1.00 0.00 C ATOM 504 C LYS A 36 3.607 -1.634 8.231 1.00 0.00 C ATOM 505 O LYS A 36 3.319 -0.876 9.156 1.00 0.00 O ATOM 506 CB LYS A 36 2.629 -1.994 5.956 1.00 0.00 C ATOM 507 CG LYS A 36 1.452 -2.473 5.125 1.00 0.00 C ATOM 508 CD LYS A 36 1.890 -2.901 3.734 1.00 0.00 C ATOM 509 CE LYS A 36 2.133 -1.700 2.832 1.00 0.00 C ATOM 510 NZ LYS A 36 3.014 -2.041 1.680 1.00 0.00 N ATOM 0 H LYS A 36 0.801 -1.153 7.542 1.00 0.00 H new ATOM 0 HA LYS A 36 2.651 -3.426 7.559 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.717 -0.912 5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.546 -2.426 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.966 -3.309 5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.713 -1.676 5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.802 -3.494 3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.127 -3.541 3.292 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.179 -1.325 2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.588 -0.896 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.837 -1.405 1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.338 -3.025 1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.483 -1.931 0.792 1.00 0.00 H new ATOM 524 N SER A 37 4.860 -1.877 7.858 1.00 0.00 N ATOM 525 CA SER A 37 5.992 -1.256 8.533 1.00 0.00 C ATOM 526 C SER A 37 6.658 -0.218 7.635 1.00 0.00 C ATOM 527 O SER A 37 7.819 0.141 7.835 1.00 0.00 O ATOM 528 CB SER A 37 7.013 -2.319 8.946 1.00 0.00 C ATOM 529 OG SER A 37 6.460 -3.215 9.894 1.00 0.00 O ATOM 0 H SER A 37 5.116 -2.500 7.092 1.00 0.00 H new ATOM 0 HA SER A 37 5.619 -0.754 9.426 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.342 -2.873 8.067 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.895 -1.837 9.368 1.00 0.00 H new ATOM 0 HG SER A 37 7.131 -3.885 10.141 1.00 0.00 H new ATOM 535 N THR A 38 5.914 0.262 6.644 1.00 0.00 N ATOM 536 CA THR A 38 6.431 1.257 5.713 1.00 0.00 C ATOM 537 C THR A 38 5.299 2.070 5.092 1.00 0.00 C ATOM 538 O THR A 38 4.146 1.640 5.084 1.00 0.00 O ATOM 539 CB THR A 38 7.253 0.602 4.588 1.00 0.00 C ATOM 540 OG1 THR A 38 6.433 -0.311 3.849 1.00 0.00 O ATOM 541 CG2 THR A 38 8.457 -0.135 5.156 1.00 0.00 C ATOM 0 H THR A 38 4.951 -0.022 6.465 1.00 0.00 H new ATOM 0 HA THR A 38 7.079 1.919 6.287 1.00 0.00 H new ATOM 0 HB THR A 38 7.609 1.389 3.923 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.963 -0.722 3.134 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.022 -0.590 4.342 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.094 0.568 5.692 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.118 -0.912 5.841 1.00 0.00 H new ATOM 549 N VAL A 39 5.637 3.246 4.574 1.00 0.00 N ATOM 550 CA VAL A 39 4.649 4.118 3.950 1.00 0.00 C ATOM 551 C VAL A 39 4.217 3.575 2.592 1.00 0.00 C ATOM 552 O VAL A 39 5.019 2.997 1.858 1.00 0.00 O ATOM 553 CB VAL A 39 5.196 5.546 3.769 1.00 0.00 C ATOM 554 CG1 VAL A 39 5.018 6.352 5.047 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.658 5.508 3.353 1.00 0.00 C ATOM 0 H VAL A 39 6.587 3.617 4.574 1.00 0.00 H new ATOM 0 HA VAL A 39 3.787 4.149 4.617 1.00 0.00 H new ATOM 0 HB VAL A 39 4.629 6.035 2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.410 7.358 4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.959 6.408 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.557 5.867 5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.028 6.526 3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.242 5.000 4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.754 4.970 2.410 1.00 0.00 H new ATOM 565 N VAL A 40 2.944 3.767 2.262 1.00 0.00 N ATOM 566 CA VAL A 40 2.404 3.298 0.991 1.00 0.00 C ATOM 567 C VAL A 40 1.808 4.449 0.190 1.00 0.00 C ATOM 568 O VAL A 40 1.130 5.326 0.726 1.00 0.00 O ATOM 569 CB VAL A 40 1.325 2.220 1.203 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.753 1.768 -0.133 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.895 1.040 1.974 1.00 0.00 C ATOM 0 H VAL A 40 2.267 4.244 2.857 1.00 0.00 H new ATOM 0 HA VAL A 40 3.235 2.864 0.434 1.00 0.00 H new ATOM 0 HB VAL A 40 0.515 2.652 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.008 1.006 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.306 2.620 -0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.551 1.353 -0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.119 0.288 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.724 0.606 1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.252 1.379 2.946 1.00 0.00 H new ATOM 581 N PRO A 41 2.065 4.449 -1.128 1.00 0.00 N ATOM 582 CA PRO A 41 1.562 5.486 -2.032 1.00 0.00 C ATOM 583 C PRO A 41 0.052 5.403 -2.227 1.00 0.00 C ATOM 584 O PRO A 41 -0.485 4.342 -2.550 1.00 0.00 O ATOM 585 CB PRO A 41 2.287 5.193 -3.347 1.00 0.00 C ATOM 586 CG PRO A 41 2.614 3.741 -3.284 1.00 0.00 C ATOM 587 CD PRO A 41 2.866 3.436 -1.834 1.00 0.00 C ATOM 0 HA PRO A 41 1.744 6.488 -1.643 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.656 5.420 -4.206 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.188 5.798 -3.445 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.793 3.139 -3.672 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.491 3.512 -3.889 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.553 2.424 -1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.924 3.515 -1.585 1.00 0.00 H new ATOM 595 N VAL A 42 -0.629 6.527 -2.030 1.00 0.00 N ATOM 596 CA VAL A 42 -2.078 6.581 -2.186 1.00 0.00 C ATOM 597 C VAL A 42 -2.476 6.503 -3.656 1.00 0.00 C ATOM 598 O VAL A 42 -2.225 7.417 -4.442 1.00 0.00 O ATOM 599 CB VAL A 42 -2.661 7.869 -1.575 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.135 8.006 -1.923 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.456 7.884 -0.068 1.00 0.00 C ATOM 0 H VAL A 42 -0.201 7.413 -1.762 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.485 5.720 -1.656 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.132 8.723 -1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.529 8.922 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.251 8.045 -3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.683 7.149 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.874 8.801 0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.957 7.024 0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.390 7.838 0.155 1.00 0.00 H new ATOM 611 N PRO A 43 -3.112 5.386 -4.038 1.00 0.00 N ATOM 612 CA PRO A 43 -3.560 5.161 -5.416 1.00 0.00 C ATOM 613 C PRO A 43 -4.719 6.072 -5.804 1.00 0.00 C ATOM 614 O PRO A 43 -5.880 5.660 -5.781 1.00 0.00 O ATOM 615 CB PRO A 43 -4.008 3.698 -5.410 1.00 0.00 C ATOM 616 CG PRO A 43 -4.371 3.419 -3.993 1.00 0.00 C ATOM 617 CD PRO A 43 -3.444 4.255 -3.154 1.00 0.00 C ATOM 0 HA PRO A 43 -2.774 5.377 -6.140 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.858 3.541 -6.075 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.210 3.038 -5.752 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.412 3.677 -3.799 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.257 2.360 -3.763 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.926 4.591 -2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.554 3.698 -2.862 1.00 0.00 H new ATOM 625 N TYR A 44 -4.400 7.311 -6.160 1.00 0.00 N ATOM 626 CA TYR A 44 -5.416 8.280 -6.552 1.00 0.00 C ATOM 627 C TYR A 44 -6.279 7.736 -7.687 1.00 0.00 C ATOM 628 O TYR A 44 -7.441 7.387 -7.482 1.00 0.00 O ATOM 629 CB TYR A 44 -4.759 9.594 -6.981 1.00 0.00 C ATOM 630 CG TYR A 44 -4.032 10.302 -5.861 1.00 0.00 C ATOM 631 CD1 TYR A 44 -4.732 10.887 -4.812 1.00 0.00 C ATOM 632 CD2 TYR A 44 -2.644 10.384 -5.848 1.00 0.00 C ATOM 633 CE1 TYR A 44 -4.072 11.536 -3.787 1.00 0.00 C ATOM 634 CE2 TYR A 44 -1.977 11.029 -4.826 1.00 0.00 C ATOM 635 CZ TYR A 44 -2.694 11.604 -3.798 1.00 0.00 C ATOM 636 OH TYR A 44 -2.033 12.247 -2.777 1.00 0.00 O ATOM 0 H TYR A 44 -3.445 7.668 -6.185 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.056 8.466 -5.690 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.055 9.392 -7.789 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.524 10.258 -7.383 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.811 10.833 -4.798 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.078 9.935 -6.651 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.631 11.988 -2.981 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.898 11.083 -4.831 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.659 12.426 -2.044 1.00 0.00 H new ATOM 646 N GLU A 45 -5.701 7.669 -8.881 1.00 0.00 N ATOM 647 CA GLU A 45 -6.418 7.168 -10.048 1.00 0.00 C ATOM 648 C GLU A 45 -7.497 6.169 -9.637 1.00 0.00 C ATOM 649 O GLU A 45 -8.686 6.394 -9.866 1.00 0.00 O ATOM 650 CB GLU A 45 -5.444 6.508 -11.028 1.00 0.00 C ATOM 651 CG GLU A 45 -5.966 6.445 -12.454 1.00 0.00 C ATOM 652 CD GLU A 45 -5.959 7.799 -13.137 1.00 0.00 C ATOM 653 OE1 GLU A 45 -6.852 8.619 -12.836 1.00 0.00 O ATOM 654 OE2 GLU A 45 -5.063 8.039 -13.972 1.00 0.00 O ATOM 0 H GLU A 45 -4.740 7.955 -9.066 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.899 8.015 -10.538 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.503 7.058 -11.018 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.226 5.497 -10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.357 5.748 -13.030 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.982 6.050 -12.448 1.00 0.00 H new ATOM 661 N LYS A 46 -7.073 5.066 -9.029 1.00 0.00 N ATOM 662 CA LYS A 46 -8.001 4.034 -8.584 1.00 0.00 C ATOM 663 C LYS A 46 -9.070 4.620 -7.668 1.00 0.00 C ATOM 664 O LYS A 46 -10.262 4.381 -7.858 1.00 0.00 O ATOM 665 CB LYS A 46 -7.245 2.919 -7.856 1.00 0.00 C ATOM 666 CG LYS A 46 -6.385 2.068 -8.773 1.00 0.00 C ATOM 667 CD LYS A 46 -4.979 2.629 -8.898 1.00 0.00 C ATOM 668 CE LYS A 46 -4.041 1.639 -9.572 1.00 0.00 C ATOM 669 NZ LYS A 46 -2.683 2.214 -9.779 1.00 0.00 N ATOM 0 H LYS A 46 -6.092 4.864 -8.833 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.491 3.618 -9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.613 3.363 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.964 2.277 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.338 1.049 -8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.846 2.015 -9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.006 3.555 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.596 2.878 -7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.965 0.738 -8.963 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.459 1.339 -10.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.074 1.509 -10.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.752 3.059 -10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.273 2.477 -8.860 1.00 0.00 H new ATOM 683 N MET A 47 -8.636 5.389 -6.676 1.00 0.00 N ATOM 684 CA MET A 47 -9.556 6.011 -5.731 1.00 0.00 C ATOM 685 C MET A 47 -10.574 6.885 -6.460 1.00 0.00 C ATOM 686 O MET A 47 -11.782 6.690 -6.326 1.00 0.00 O ATOM 687 CB MET A 47 -8.785 6.850 -4.711 1.00 0.00 C ATOM 688 CG MET A 47 -8.258 6.044 -3.536 1.00 0.00 C ATOM 689 SD MET A 47 -7.397 7.063 -2.323 1.00 0.00 S ATOM 690 CE MET A 47 -8.772 7.640 -1.330 1.00 0.00 C ATOM 0 H MET A 47 -7.652 5.597 -6.505 1.00 0.00 H new ATOM 0 HA MET A 47 -10.091 5.218 -5.208 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.948 7.337 -5.212 1.00 0.00 H new ATOM 0 HB3 MET A 47 -9.436 7.640 -4.336 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.089 5.532 -3.050 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.580 5.274 -3.904 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.402 8.299 -0.545 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.473 8.186 -1.961 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.278 6.787 -0.879 1.00 0.00 H new ATOM 700 N LEU A 48 -10.076 7.847 -7.230 1.00 0.00 N ATOM 701 CA LEU A 48 -10.942 8.751 -7.979 1.00 0.00 C ATOM 702 C LEU A 48 -12.125 7.998 -8.581 1.00 0.00 C ATOM 703 O LEU A 48 -13.228 8.535 -8.682 1.00 0.00 O ATOM 704 CB LEU A 48 -10.149 9.446 -9.088 1.00 0.00 C ATOM 705 CG LEU A 48 -8.741 9.911 -8.715 1.00 0.00 C ATOM 706 CD1 LEU A 48 -8.159 10.786 -9.814 1.00 0.00 C ATOM 707 CD2 LEU A 48 -8.760 10.659 -7.389 1.00 0.00 C ATOM 0 H LEU A 48 -9.078 8.021 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.326 9.502 -7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.072 8.764 -9.935 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.718 10.312 -9.427 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.106 9.032 -8.605 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.157 11.107 -9.531 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.109 10.218 -10.743 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.794 11.661 -9.957 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.750 10.983 -7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.410 11.530 -7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.134 10.001 -6.605 1.00 0.00 H new ATOM 719 N ARG A 49 -11.887 6.752 -8.976 1.00 0.00 N ATOM 720 CA ARG A 49 -12.933 5.925 -9.566 1.00 0.00 C ATOM 721 C ARG A 49 -13.853 5.361 -8.487 1.00 0.00 C ATOM 722 O ARG A 49 -15.074 5.335 -8.650 1.00 0.00 O ATOM 723 CB ARG A 49 -12.315 4.782 -10.373 1.00 0.00 C ATOM 724 CG ARG A 49 -11.085 5.191 -11.165 1.00 0.00 C ATOM 725 CD ARG A 49 -11.438 5.532 -12.605 1.00 0.00 C ATOM 726 NE ARG A 49 -12.201 6.773 -12.703 1.00 0.00 N ATOM 727 CZ ARG A 49 -12.768 7.201 -13.826 1.00 0.00 C ATOM 728 NH1 ARG A 49 -12.658 6.490 -14.940 1.00 0.00 N ATOM 729 NH2 ARG A 49 -13.448 8.340 -13.835 1.00 0.00 N ATOM 0 H ARG A 49 -10.980 6.293 -8.898 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.525 6.552 -10.233 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.047 3.973 -9.694 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.064 4.387 -11.059 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.615 6.053 -10.691 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.355 4.381 -11.150 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.523 5.622 -13.191 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.016 4.716 -13.039 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.304 7.343 -11.863 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.137 5.613 -14.936 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.094 6.820 -15.801 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.536 8.888 -12.979 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.883 8.668 -14.698 1.00 0.00 H new ATOM 743 N ASP A 50 -13.260 4.910 -7.388 1.00 0.00 N ATOM 744 CA ASP A 50 -14.026 4.347 -6.282 1.00 0.00 C ATOM 745 C ASP A 50 -13.544 4.906 -4.946 1.00 0.00 C ATOM 746 O ASP A 50 -12.582 4.405 -4.365 1.00 0.00 O ATOM 747 CB ASP A 50 -13.913 2.822 -6.281 1.00 0.00 C ATOM 748 CG ASP A 50 -15.027 2.158 -7.066 1.00 0.00 C ATOM 749 OD1 ASP A 50 -15.494 2.759 -8.056 1.00 0.00 O ATOM 750 OD2 ASP A 50 -15.434 1.038 -6.690 1.00 0.00 O ATOM 0 H ASP A 50 -12.251 4.923 -7.239 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.071 4.627 -6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.951 2.532 -6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.931 2.460 -5.253 1.00 0.00 H new ATOM 755 N GLN A 51 -14.219 5.947 -4.469 1.00 0.00 N ATOM 756 CA GLN A 51 -13.858 6.575 -3.203 1.00 0.00 C ATOM 757 C GLN A 51 -14.403 5.775 -2.024 1.00 0.00 C ATOM 758 O GLN A 51 -14.924 6.344 -1.064 1.00 0.00 O ATOM 759 CB GLN A 51 -14.387 8.008 -3.151 1.00 0.00 C ATOM 760 CG GLN A 51 -14.044 8.829 -4.384 1.00 0.00 C ATOM 761 CD GLN A 51 -14.496 10.272 -4.269 1.00 0.00 C ATOM 762 OE1 GLN A 51 -15.482 10.574 -3.598 1.00 0.00 O ATOM 763 NE2 GLN A 51 -13.773 11.172 -4.925 1.00 0.00 N ATOM 0 H GLN A 51 -15.018 6.373 -4.939 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.770 6.595 -3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.470 7.982 -3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.981 8.505 -2.270 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.966 8.802 -4.546 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.509 8.375 -5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.963 10.877 -5.470 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -14.028 12.159 -4.884 1.00 0.00 H new ATOM 772 N SER A 52 -14.278 4.454 -2.103 1.00 0.00 N ATOM 773 CA SER A 52 -14.762 3.576 -1.044 1.00 0.00 C ATOM 774 C SER A 52 -13.615 2.774 -0.437 1.00 0.00 C ATOM 775 O SER A 52 -13.365 2.841 0.767 1.00 0.00 O ATOM 776 CB SER A 52 -15.832 2.627 -1.588 1.00 0.00 C ATOM 777 OG SER A 52 -16.742 2.249 -0.570 1.00 0.00 O ATOM 0 H SER A 52 -13.846 3.968 -2.889 1.00 0.00 H new ATOM 0 HA SER A 52 -15.201 4.197 -0.263 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.372 3.111 -2.402 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.357 1.739 -2.004 1.00 0.00 H new ATOM 0 HG SER A 52 -17.417 1.644 -0.943 1.00 0.00 H new ATOM 783 N ALA A 53 -12.921 2.015 -1.279 1.00 0.00 N ATOM 784 CA ALA A 53 -11.800 1.201 -0.828 1.00 0.00 C ATOM 785 C ALA A 53 -11.067 1.870 0.330 1.00 0.00 C ATOM 786 O ALA A 53 -10.621 1.204 1.264 1.00 0.00 O ATOM 787 CB ALA A 53 -10.842 0.937 -1.979 1.00 0.00 C ATOM 0 H ALA A 53 -13.116 1.947 -2.278 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.194 0.249 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.010 0.328 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.367 0.409 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.462 1.885 -2.361 1.00 0.00 H new ATOM 793 N VAL A 54 -10.945 3.192 0.262 1.00 0.00 N ATOM 794 CA VAL A 54 -10.266 3.952 1.305 1.00 0.00 C ATOM 795 C VAL A 54 -10.890 5.333 1.473 1.00 0.00 C ATOM 796 O VAL A 54 -10.910 6.136 0.540 1.00 0.00 O ATOM 797 CB VAL A 54 -8.766 4.113 0.996 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.067 4.867 2.117 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.120 2.754 0.774 1.00 0.00 C ATOM 0 H VAL A 54 -11.308 3.759 -0.505 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.380 3.389 2.232 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.662 4.694 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.008 4.971 1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.513 5.856 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.178 4.316 3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.060 2.886 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.233 2.146 1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.603 2.254 -0.066 1.00 0.00 H new ATOM 809 N VAL A 55 -11.399 5.605 2.671 1.00 0.00 N ATOM 810 CA VAL A 55 -12.021 6.890 2.963 1.00 0.00 C ATOM 811 C VAL A 55 -11.048 7.825 3.672 1.00 0.00 C ATOM 812 O VAL A 55 -10.198 7.383 4.445 1.00 0.00 O ATOM 813 CB VAL A 55 -13.280 6.719 3.836 1.00 0.00 C ATOM 814 CG1 VAL A 55 -13.993 8.050 4.011 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.211 5.681 3.229 1.00 0.00 C ATOM 0 H VAL A 55 -11.392 4.952 3.455 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.307 7.327 2.006 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.974 6.367 4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.879 7.909 4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.323 8.761 4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.289 8.435 3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.095 5.573 3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.512 6.001 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.694 4.724 3.162 1.00 0.00 H new ATOM 825 N VAL A 56 -11.178 9.120 3.404 1.00 0.00 N ATOM 826 CA VAL A 56 -10.311 10.119 4.019 1.00 0.00 C ATOM 827 C VAL A 56 -11.104 11.054 4.923 1.00 0.00 C ATOM 828 O VAL A 56 -12.141 11.587 4.525 1.00 0.00 O ATOM 829 CB VAL A 56 -9.575 10.954 2.954 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.546 11.865 3.606 1.00 0.00 C ATOM 831 CG2 VAL A 56 -8.918 10.045 1.925 1.00 0.00 C ATOM 0 H VAL A 56 -11.875 9.502 2.765 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.578 9.577 4.617 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.305 11.580 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.036 12.447 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.046 12.540 4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.817 11.262 4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.403 10.651 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.200 9.392 2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.680 9.439 1.435 1.00 0.00 H new ATOM 841 N GLN A 57 -10.611 11.252 6.140 1.00 0.00 N ATOM 842 CA GLN A 57 -11.275 12.124 7.102 1.00 0.00 C ATOM 843 C GLN A 57 -10.344 13.244 7.554 1.00 0.00 C ATOM 844 O GLN A 57 -9.137 13.194 7.321 1.00 0.00 O ATOM 845 CB GLN A 57 -11.747 11.317 8.313 1.00 0.00 C ATOM 846 CG GLN A 57 -12.906 10.382 8.007 1.00 0.00 C ATOM 847 CD GLN A 57 -13.552 9.823 9.259 1.00 0.00 C ATOM 848 OE1 GLN A 57 -12.995 9.916 10.353 1.00 0.00 O ATOM 849 NE2 GLN A 57 -14.733 9.237 9.106 1.00 0.00 N ATOM 0 H GLN A 57 -9.753 10.820 6.484 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.140 12.571 6.613 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.911 10.732 8.698 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.045 12.005 9.104 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.656 10.918 7.424 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.550 9.559 7.388 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.159 9.182 8.181 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.215 8.842 9.914 1.00 0.00 H new ATOM 858 N GLY A 58 -10.914 14.256 8.202 1.00 0.00 N ATOM 859 CA GLY A 58 -10.120 15.374 8.676 1.00 0.00 C ATOM 860 C GLY A 58 -9.891 16.419 7.602 1.00 0.00 C ATOM 861 O GLY A 58 -8.988 17.249 7.715 1.00 0.00 O ATOM 0 H GLY A 58 -11.911 14.321 8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.620 15.836 9.527 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.158 15.007 9.033 1.00 0.00 H new ATOM 865 N LEU A 59 -10.709 16.378 6.556 1.00 0.00 N ATOM 866 CA LEU A 59 -10.589 17.327 5.454 1.00 0.00 C ATOM 867 C LEU A 59 -11.487 18.540 5.681 1.00 0.00 C ATOM 868 O LEU A 59 -12.464 18.489 6.430 1.00 0.00 O ATOM 869 CB LEU A 59 -10.952 16.652 4.131 1.00 0.00 C ATOM 870 CG LEU A 59 -9.856 15.799 3.490 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.220 15.451 2.056 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.518 16.521 3.544 1.00 0.00 C ATOM 0 H LEU A 59 -11.462 15.699 6.448 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.554 17.666 5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.826 16.022 4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.246 17.425 3.420 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.768 14.871 4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.428 14.844 1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.155 14.892 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.338 16.367 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.750 15.899 3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.592 17.465 3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.252 16.717 4.583 1.00 0.00 H new ATOM 884 N PRO A 60 -11.151 19.657 5.019 1.00 0.00 N ATOM 885 CA PRO A 60 -11.916 20.903 5.131 1.00 0.00 C ATOM 886 C PRO A 60 -13.285 20.804 4.468 1.00 0.00 C ATOM 887 O PRO A 60 -13.719 19.721 4.079 1.00 0.00 O ATOM 888 CB PRO A 60 -11.039 21.923 4.399 1.00 0.00 C ATOM 889 CG PRO A 60 -10.238 21.115 3.440 1.00 0.00 C ATOM 890 CD PRO A 60 -10.000 19.790 4.111 1.00 0.00 C ATOM 0 HA PRO A 60 -12.122 21.164 6.169 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.645 22.666 3.881 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.397 22.464 5.094 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.772 20.985 2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.295 21.609 3.206 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.962 18.975 3.389 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.055 19.779 4.655 1.00 0.00 H new ATOM 898 N GLU A 61 -13.960 21.944 4.342 1.00 0.00 N ATOM 899 CA GLU A 61 -15.281 21.983 3.726 1.00 0.00 C ATOM 900 C GLU A 61 -15.182 22.364 2.251 1.00 0.00 C ATOM 901 O GLU A 61 -14.154 22.863 1.795 1.00 0.00 O ATOM 902 CB GLU A 61 -16.181 22.978 4.461 1.00 0.00 C ATOM 903 CG GLU A 61 -17.655 22.614 4.416 1.00 0.00 C ATOM 904 CD GLU A 61 -18.519 23.576 5.207 1.00 0.00 C ATOM 905 OE1 GLU A 61 -18.532 24.778 4.867 1.00 0.00 O ATOM 906 OE2 GLU A 61 -19.181 23.129 6.167 1.00 0.00 O ATOM 0 H GLU A 61 -13.614 22.850 4.658 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.717 20.987 3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.863 23.043 5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -16.046 23.968 4.025 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.990 22.600 3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.788 21.606 4.808 1.00 0.00 H new ATOM 913 N GLY A 62 -16.260 22.122 1.510 1.00 0.00 N ATOM 914 CA GLY A 62 -16.274 22.444 0.095 1.00 0.00 C ATOM 915 C GLY A 62 -15.098 21.843 -0.649 1.00 0.00 C ATOM 916 O GLY A 62 -14.813 22.221 -1.785 1.00 0.00 O ATOM 0 H GLY A 62 -17.123 21.709 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -17.202 22.083 -0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.262 23.527 -0.028 1.00 0.00 H new ATOM 920 N VAL A 63 -14.411 20.904 -0.006 1.00 0.00 N ATOM 921 CA VAL A 63 -13.258 20.249 -0.612 1.00 0.00 C ATOM 922 C VAL A 63 -13.595 18.824 -1.036 1.00 0.00 C ATOM 923 O VAL A 63 -14.693 18.332 -0.776 1.00 0.00 O ATOM 924 CB VAL A 63 -12.058 20.216 0.353 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.228 19.104 1.378 1.00 0.00 C ATOM 926 CG2 VAL A 63 -10.758 20.046 -0.419 1.00 0.00 C ATOM 0 H VAL A 63 -14.633 20.580 0.935 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.990 20.833 -1.492 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.016 21.166 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.371 19.096 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.139 19.274 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.296 18.144 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.921 20.025 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.787 19.112 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.633 20.880 -1.110 1.00 0.00 H new ATOM 936 N ALA A 64 -12.643 18.165 -1.689 1.00 0.00 N ATOM 937 CA ALA A 64 -12.839 16.795 -2.146 1.00 0.00 C ATOM 938 C ALA A 64 -11.503 16.082 -2.327 1.00 0.00 C ATOM 939 O ALA A 64 -10.677 16.486 -3.145 1.00 0.00 O ATOM 940 CB ALA A 64 -13.627 16.780 -3.447 1.00 0.00 C ATOM 0 H ALA A 64 -11.729 18.558 -1.913 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.407 16.261 -1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.766 15.750 -3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.600 17.245 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.080 17.334 -4.210 1.00 0.00 H new ATOM 946 N PHE A 65 -11.298 15.018 -1.557 1.00 0.00 N ATOM 947 CA PHE A 65 -10.061 14.248 -1.631 1.00 0.00 C ATOM 948 C PHE A 65 -9.518 14.228 -3.056 1.00 0.00 C ATOM 949 O PHE A 65 -10.216 13.837 -3.994 1.00 0.00 O ATOM 950 CB PHE A 65 -10.296 12.818 -1.142 1.00 0.00 C ATOM 951 CG PHE A 65 -9.101 11.924 -1.309 1.00 0.00 C ATOM 952 CD1 PHE A 65 -8.015 12.029 -0.455 1.00 0.00 C ATOM 953 CD2 PHE A 65 -9.064 10.976 -2.320 1.00 0.00 C ATOM 954 CE1 PHE A 65 -6.913 11.207 -0.608 1.00 0.00 C ATOM 955 CE2 PHE A 65 -7.966 10.152 -2.478 1.00 0.00 C ATOM 956 CZ PHE A 65 -6.889 10.267 -1.620 1.00 0.00 C ATOM 0 H PHE A 65 -11.972 14.669 -0.875 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.324 14.728 -0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.576 12.844 -0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.139 12.390 -1.685 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.029 12.761 0.339 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.904 10.880 -2.992 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.072 11.300 0.063 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.950 9.419 -3.271 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.030 9.623 -1.740 1.00 0.00 H new ATOM 966 N LYS A 66 -8.268 14.649 -3.214 1.00 0.00 N ATOM 967 CA LYS A 66 -7.629 14.679 -4.524 1.00 0.00 C ATOM 968 C LYS A 66 -6.133 14.948 -4.394 1.00 0.00 C ATOM 969 O LYS A 66 -5.617 15.119 -3.288 1.00 0.00 O ATOM 970 CB LYS A 66 -8.275 15.750 -5.406 1.00 0.00 C ATOM 971 CG LYS A 66 -8.028 17.168 -4.920 1.00 0.00 C ATOM 972 CD LYS A 66 -8.368 18.191 -5.991 1.00 0.00 C ATOM 973 CE LYS A 66 -9.851 18.173 -6.329 1.00 0.00 C ATOM 974 NZ LYS A 66 -10.160 17.207 -7.418 1.00 0.00 N ATOM 0 H LYS A 66 -7.676 14.975 -2.450 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.766 13.703 -4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.893 15.651 -6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.349 15.572 -5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.628 17.358 -4.030 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.983 17.277 -4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.084 19.186 -5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.786 17.985 -6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.423 17.912 -5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.167 19.172 -6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.551 17.718 -8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.289 16.714 -7.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.856 16.513 -7.079 1.00 0.00 H new ATOM 988 N HIS A 67 -5.442 14.987 -5.529 1.00 0.00 N ATOM 989 CA HIS A 67 -4.005 15.238 -5.541 1.00 0.00 C ATOM 990 C HIS A 67 -3.666 16.495 -4.746 1.00 0.00 C ATOM 991 O HIS A 67 -4.387 17.494 -4.781 1.00 0.00 O ATOM 992 CB HIS A 67 -3.503 15.378 -6.978 1.00 0.00 C ATOM 993 CG HIS A 67 -2.107 14.871 -7.176 1.00 0.00 C ATOM 994 ND1 HIS A 67 -1.010 15.702 -7.262 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.633 13.610 -7.304 1.00 0.00 C ATOM 996 CE1 HIS A 67 0.078 14.974 -7.436 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.272 13.701 -7.464 1.00 0.00 N ATOM 0 H HIS A 67 -5.854 14.848 -6.452 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.509 14.389 -5.072 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.175 14.837 -7.644 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.544 16.428 -7.268 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.216 12.701 -7.284 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.083 15.355 -7.538 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.365 12.913 -7.585 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.545 16.449 -4.012 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.086 17.577 -3.195 1.00 0.00 C ATOM 1007 C PRO A 68 -1.598 18.747 -4.043 1.00 0.00 C ATOM 1008 O PRO A 68 -1.286 19.815 -3.520 1.00 0.00 O ATOM 1009 CB PRO A 68 -0.929 16.982 -2.389 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.432 15.848 -3.218 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.638 15.292 -3.924 1.00 0.00 C ATOM 0 HA PRO A 68 -2.887 17.987 -2.580 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.145 17.720 -2.218 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.264 16.639 -1.410 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.317 16.187 -3.933 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.041 15.088 -2.596 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.383 14.905 -4.911 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.087 14.471 -3.366 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.536 18.535 -5.354 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.087 19.574 -6.273 1.00 0.00 C ATOM 1021 C GLU A 69 -2.269 20.370 -6.816 1.00 0.00 C ATOM 1022 O GLU A 69 -2.106 21.481 -7.319 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.300 18.956 -7.430 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.171 18.528 -8.599 1.00 0.00 C ATOM 1025 CD GLU A 69 -0.418 17.688 -9.612 1.00 0.00 C ATOM 1026 OE1 GLU A 69 0.515 18.221 -10.249 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -0.761 16.497 -9.767 1.00 0.00 O ATOM 0 H GLU A 69 -1.791 17.655 -5.803 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.437 20.254 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.438 19.677 -7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.251 18.090 -7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.023 17.961 -8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.571 19.414 -9.093 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.462 19.792 -6.711 1.00 0.00 N ATOM 1035 CA ASN A 70 -4.673 20.447 -7.192 1.00 0.00 C ATOM 1036 C ASN A 70 -5.168 21.483 -6.188 1.00 0.00 C ATOM 1037 O ASN A 70 -5.968 22.356 -6.524 1.00 0.00 O ATOM 1038 CB ASN A 70 -5.768 19.410 -7.452 1.00 0.00 C ATOM 1039 CG ASN A 70 -6.885 19.955 -8.322 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -7.191 21.146 -8.284 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -7.499 19.082 -9.112 1.00 0.00 N ATOM 0 H ASN A 70 -3.615 18.872 -6.297 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.434 20.957 -8.125 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.330 18.536 -7.933 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.182 19.076 -6.501 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.258 19.390 -9.720 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.212 18.103 -9.111 1.00 0.00 H new ATOM 1048 N TYR A 71 -4.684 21.382 -4.955 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.078 22.309 -3.901 1.00 0.00 C ATOM 1050 C TYR A 71 -4.255 23.591 -3.968 1.00 0.00 C ATOM 1051 O TYR A 71 -3.033 23.552 -4.112 1.00 0.00 O ATOM 1052 CB TYR A 71 -4.911 21.654 -2.528 1.00 0.00 C ATOM 1053 CG TYR A 71 -5.905 20.547 -2.261 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.252 20.709 -2.557 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.495 19.338 -1.711 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -8.164 19.699 -2.313 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.399 18.322 -1.465 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.732 18.508 -1.767 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.637 17.499 -1.524 1.00 0.00 O ATOM 0 H TYR A 71 -4.018 20.667 -4.661 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.127 22.564 -4.050 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.901 21.252 -2.447 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.013 22.417 -1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.593 21.640 -2.985 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.452 19.190 -1.472 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.208 19.842 -2.548 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.064 17.388 -1.039 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.422 17.618 -2.099 1.00 0.00 H new ATOM 1069 N ASP A 72 -4.935 24.728 -3.864 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.268 26.025 -3.911 1.00 0.00 C ATOM 1071 C ASP A 72 -3.340 26.202 -2.715 1.00 0.00 C ATOM 1072 O ASP A 72 -3.622 25.716 -1.619 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.300 27.152 -3.944 1.00 0.00 C ATOM 1074 CG ASP A 72 -6.547 26.773 -4.719 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -7.469 26.191 -4.111 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -6.601 27.058 -5.933 1.00 0.00 O ATOM 0 H ASP A 72 -5.947 24.778 -3.747 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.669 26.065 -4.821 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.577 27.417 -2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.852 28.038 -4.393 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.230 26.900 -2.931 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.259 27.142 -1.870 1.00 0.00 C ATOM 1083 C LEU A 73 -1.958 27.384 -0.536 1.00 0.00 C ATOM 1084 O LEU A 73 -1.518 26.895 0.505 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.378 28.342 -2.222 1.00 0.00 C ATOM 1086 CG LEU A 73 0.672 28.732 -1.180 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.346 27.493 -0.612 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.704 29.670 -1.790 1.00 0.00 C ATOM 0 H LEU A 73 -1.980 27.308 -3.832 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.633 26.255 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.133 28.130 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.024 29.202 -2.398 1.00 0.00 H new ATOM 0 HG LEU A 73 0.171 29.254 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.090 27.790 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.598 26.856 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.834 26.943 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.444 29.938 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.200 29.173 -2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.209 30.572 -2.149 1.00 0.00 H new ATOM 1100 N ALA A 74 -3.052 28.139 -0.575 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.815 28.441 0.630 1.00 0.00 C ATOM 1102 C ALA A 74 -4.336 27.166 1.285 1.00 0.00 C ATOM 1103 O ALA A 74 -4.103 26.924 2.469 1.00 0.00 O ATOM 1104 CB ALA A 74 -4.968 29.378 0.302 1.00 0.00 C ATOM 0 H ALA A 74 -3.429 28.552 -1.428 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.149 28.935 1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.530 29.596 1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.576 30.306 -0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.626 28.904 -0.427 1.00 0.00 H new ATOM 1110 N THR A 75 -5.042 26.353 0.506 1.00 0.00 N ATOM 1111 CA THR A 75 -5.598 25.103 1.011 1.00 0.00 C ATOM 1112 C THR A 75 -4.499 24.183 1.528 1.00 0.00 C ATOM 1113 O THR A 75 -4.557 23.705 2.662 1.00 0.00 O ATOM 1114 CB THR A 75 -6.400 24.366 -0.077 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.399 25.235 -0.624 1.00 0.00 O ATOM 1116 CG2 THR A 75 -7.062 23.119 0.490 1.00 0.00 C ATOM 0 H THR A 75 -5.243 26.537 -0.477 1.00 0.00 H new ATOM 0 HA THR A 75 -6.267 25.362 1.832 1.00 0.00 H new ATOM 0 HB THR A 75 -5.709 24.066 -0.865 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.903 24.759 -1.316 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.623 22.615 -0.297 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.298 22.446 0.879 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.740 23.401 1.295 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.496 23.937 0.691 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.382 23.072 1.064 1.00 0.00 C ATOM 1126 C LEU A 76 -1.979 23.300 2.517 1.00 0.00 C ATOM 1127 O LEU A 76 -1.891 22.357 3.304 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.186 23.324 0.145 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.169 22.538 -1.166 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.035 23.016 -2.060 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.043 21.047 -0.892 1.00 0.00 C ATOM 0 H LEU A 76 -3.432 24.325 -0.250 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.705 22.037 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.153 24.387 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.275 23.092 0.696 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.111 22.713 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.038 22.445 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.170 24.074 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.917 22.872 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.033 20.503 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.116 20.853 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.890 20.715 -0.291 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.737 24.558 2.869 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.347 24.913 4.227 1.00 0.00 C ATOM 1145 C LYS A 77 -2.337 24.350 5.242 1.00 0.00 C ATOM 1146 O LYS A 77 -1.942 23.727 6.228 1.00 0.00 O ATOM 1147 CB LYS A 77 -1.259 26.434 4.375 1.00 0.00 C ATOM 1148 CG LYS A 77 -0.153 27.062 3.546 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.348 28.562 3.402 1.00 0.00 C ATOM 1150 CE LYS A 77 0.873 29.226 2.784 1.00 0.00 C ATOM 1151 NZ LYS A 77 0.885 30.696 3.019 1.00 0.00 N ATOM 0 H LYS A 77 -1.805 25.350 2.230 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.366 24.478 4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.213 26.875 4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.099 26.680 5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.811 26.863 4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.130 26.601 2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.223 28.758 2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.546 29.000 4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.777 28.784 3.203 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.889 29.030 1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.733 31.110 2.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.035 31.122 2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.896 30.884 4.042 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.623 24.572 4.993 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.668 24.084 5.885 1.00 0.00 C ATOM 1167 C TRP A 78 -4.476 22.602 6.192 1.00 0.00 C ATOM 1168 O TRP A 78 -4.313 22.215 7.349 1.00 0.00 O ATOM 1169 CB TRP A 78 -6.046 24.314 5.262 1.00 0.00 C ATOM 1170 CG TRP A 78 -7.175 24.114 6.227 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.828 25.081 6.937 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.783 22.868 6.588 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.804 24.512 7.719 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.799 23.156 7.522 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.571 21.540 6.213 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.596 22.163 8.084 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.364 20.555 6.771 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.366 20.871 7.698 1.00 0.00 C ATOM 0 H TRP A 78 -3.966 25.086 4.182 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.601 24.640 6.820 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -6.092 25.328 4.865 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.174 23.635 4.419 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.609 26.138 6.891 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.431 25.017 8.345 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.801 21.287 5.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.368 22.404 8.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.209 19.524 6.488 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.969 20.079 8.116 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.495 21.779 5.149 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.322 20.341 5.308 1.00 0.00 C ATOM 1191 C ILE A 79 -3.237 20.029 6.333 1.00 0.00 C ATOM 1192 O ILE A 79 -3.462 19.275 7.281 1.00 0.00 O ATOM 1193 CB ILE A 79 -3.959 19.667 3.972 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.131 19.761 2.993 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.569 18.214 4.201 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -4.838 19.155 1.638 1.00 0.00 C ATOM 0 H ILE A 79 -4.629 22.084 4.185 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.275 19.945 5.658 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.106 20.189 3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.997 19.260 3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.401 20.809 2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.315 17.751 3.248 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.707 18.169 4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.405 17.680 4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.713 19.258 0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.992 19.671 1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.597 18.099 1.756 1.00 0.00 H new ATOM 1208 N LEU A 80 -2.060 20.614 6.138 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.939 20.400 7.047 1.00 0.00 C ATOM 1210 C LEU A 80 -1.283 20.876 8.455 1.00 0.00 C ATOM 1211 O LEU A 80 -0.884 20.260 9.444 1.00 0.00 O ATOM 1212 CB LEU A 80 0.302 21.132 6.538 1.00 0.00 C ATOM 1213 CG LEU A 80 1.124 20.401 5.476 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.176 21.326 4.884 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.775 19.159 6.068 1.00 0.00 C ATOM 0 H LEU A 80 -1.857 21.240 5.359 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.732 19.331 7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.010 22.093 6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.950 21.342 7.389 1.00 0.00 H new ATOM 0 HG LEU A 80 0.453 20.089 4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.751 20.788 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.688 22.185 4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.845 21.669 5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.356 18.651 5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.433 19.449 6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.003 18.487 6.443 1.00 0.00 H new ATOM 1227 N GLU A 81 -2.025 21.975 8.539 1.00 0.00 N ATOM 1228 CA GLU A 81 -2.423 22.532 9.827 1.00 0.00 C ATOM 1229 C GLU A 81 -3.301 21.551 10.596 1.00 0.00 C ATOM 1230 O GLU A 81 -3.024 21.225 11.749 1.00 0.00 O ATOM 1231 CB GLU A 81 -3.168 23.854 9.629 1.00 0.00 C ATOM 1232 CG GLU A 81 -2.274 25.078 9.730 1.00 0.00 C ATOM 1233 CD GLU A 81 -3.061 26.374 9.757 1.00 0.00 C ATOM 1234 OE1 GLU A 81 -3.810 26.593 10.733 1.00 0.00 O ATOM 1235 OE2 GLU A 81 -2.927 27.169 8.804 1.00 0.00 O ATOM 0 H GLU A 81 -2.363 22.498 7.731 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.520 22.717 10.408 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.650 23.847 8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.960 23.930 10.374 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.667 25.007 10.633 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.587 25.092 8.884 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.364 21.084 9.949 1.00 0.00 N ATOM 1243 CA ASN A 82 -5.285 20.140 10.572 1.00 0.00 C ATOM 1244 C ASN A 82 -5.007 18.716 10.101 1.00 0.00 C ATOM 1245 O ASN A 82 -5.927 17.920 9.916 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.732 20.521 10.252 1.00 0.00 C ATOM 1247 CG ASN A 82 -7.112 21.875 10.818 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -8.092 22.001 11.553 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -6.337 22.898 10.477 1.00 0.00 N ATOM 0 H ASN A 82 -4.609 21.344 8.994 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.134 20.183 11.651 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.872 20.530 9.171 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.402 19.761 10.654 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.544 23.833 10.827 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.535 22.748 9.865 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.730 18.401 9.909 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.327 17.074 9.462 1.00 0.00 C ATOM 1258 C LYS A 83 -3.307 16.090 10.628 1.00 0.00 C ATOM 1259 O LYS A 83 -3.856 14.992 10.536 1.00 0.00 O ATOM 1260 CB LYS A 83 -1.947 17.131 8.804 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.804 17.239 9.798 1.00 0.00 C ATOM 1262 CD LYS A 83 0.525 17.470 9.098 1.00 0.00 C ATOM 1263 CE LYS A 83 1.669 17.577 10.093 1.00 0.00 C ATOM 1264 NZ LYS A 83 2.969 17.846 9.418 1.00 0.00 N ATOM 0 H LYS A 83 -2.956 19.049 10.057 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.057 16.728 8.730 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.806 16.237 8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.911 17.985 8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.999 18.058 10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.750 16.326 10.392 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.720 16.651 8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.471 18.383 8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.458 18.375 10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.741 16.651 10.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.723 17.912 10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.184 17.072 8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.909 18.742 8.894 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.671 16.492 11.723 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.582 15.647 12.908 1.00 0.00 C ATOM 1280 C ALA A 84 -3.882 14.885 13.138 1.00 0.00 C ATOM 1281 O ALA A 84 -3.887 13.810 13.736 1.00 0.00 O ATOM 1282 CB ALA A 84 -2.235 16.485 14.129 1.00 0.00 C ATOM 0 H ALA A 84 -2.210 17.397 11.815 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.789 14.918 12.745 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.172 15.841 15.006 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.276 16.978 13.971 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.008 17.237 14.286 1.00 0.00 H new ATOM 1288 N GLY A 85 -4.987 15.452 12.661 1.00 0.00 N ATOM 1289 CA GLY A 85 -6.279 14.813 12.827 1.00 0.00 C ATOM 1290 C GLY A 85 -6.654 13.947 11.640 1.00 0.00 C ATOM 1291 O GLY A 85 -7.309 12.917 11.797 1.00 0.00 O ATOM 0 H GLY A 85 -5.010 16.342 12.163 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.265 14.201 13.729 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.043 15.577 12.971 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.240 14.367 10.449 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.537 13.623 9.231 1.00 0.00 C ATOM 1297 C ILE A 86 -6.340 12.125 9.441 1.00 0.00 C ATOM 1298 O ILE A 86 -5.258 11.677 9.818 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.652 14.086 8.059 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.201 15.381 7.458 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.566 12.999 6.998 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.384 15.902 6.296 1.00 0.00 C ATOM 0 H ILE A 86 -5.698 15.218 10.302 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.581 13.820 8.987 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.648 14.279 8.436 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.225 15.212 7.125 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.241 16.144 8.235 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.937 13.342 6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.134 12.098 7.434 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.565 12.777 6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.832 16.822 5.920 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.366 16.103 6.629 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.365 15.156 5.501 1.00 0.00 H new ATOM 1314 N SER A 87 -7.395 11.356 9.191 1.00 0.00 N ATOM 1315 CA SER A 87 -7.340 9.908 9.355 1.00 0.00 C ATOM 1316 C SER A 87 -7.737 9.200 8.062 1.00 0.00 C ATOM 1317 O SER A 87 -8.331 9.802 7.168 1.00 0.00 O ATOM 1318 CB SER A 87 -8.261 9.466 10.495 1.00 0.00 C ATOM 1319 OG SER A 87 -7.836 10.009 11.732 1.00 0.00 O ATOM 0 H SER A 87 -8.297 11.711 8.874 1.00 0.00 H new ATOM 0 HA SER A 87 -6.314 9.634 9.600 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.282 9.784 10.286 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.273 8.378 10.557 1.00 0.00 H new ATOM 0 HG SER A 87 -7.753 10.982 11.651 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.404 7.917 7.972 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.723 7.125 6.789 1.00 0.00 C ATOM 1327 C PHE A 88 -8.373 5.801 7.180 1.00 0.00 C ATOM 1328 O PHE A 88 -7.813 5.030 7.960 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.460 6.864 5.967 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.194 7.912 4.924 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -5.891 9.212 5.292 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -6.251 7.595 3.576 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.646 10.179 4.334 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -6.008 8.557 2.614 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.706 9.851 2.994 1.00 0.00 C ATOM 0 H PHE A 88 -6.913 7.403 8.704 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.430 7.692 6.183 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.604 6.807 6.640 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.548 5.893 5.480 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.845 9.474 6.339 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.488 6.585 3.274 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.408 11.189 4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.054 8.298 1.567 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.517 10.605 2.244 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.556 5.545 6.634 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.282 4.315 6.924 1.00 0.00 C ATOM 1347 C ILE A 89 -10.244 3.360 5.735 1.00 0.00 C ATOM 1348 O ILE A 89 -10.857 3.619 4.700 1.00 0.00 O ATOM 1349 CB ILE A 89 -11.749 4.600 7.293 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -11.827 5.698 8.355 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.429 3.331 7.785 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -11.986 7.087 7.778 1.00 0.00 C ATOM 0 H ILE A 89 -10.033 6.174 5.988 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.786 3.850 7.776 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.271 4.946 6.401 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.666 5.491 9.019 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.924 5.668 8.964 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.465 3.550 8.042 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.401 2.576 7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.908 2.957 8.666 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.034 7.814 8.588 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.134 7.314 7.137 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -12.904 7.135 7.192 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.522 2.256 5.894 1.00 0.00 N ATOM 1365 CA ILE A 90 -9.407 1.262 4.835 1.00 0.00 C ATOM 1366 C ILE A 90 -10.593 0.303 4.849 1.00 0.00 C ATOM 1367 O ILE A 90 -10.765 -0.476 5.786 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.104 0.450 4.963 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.124 0.837 3.853 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -8.403 -1.041 4.918 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.204 1.975 4.230 1.00 0.00 C ATOM 0 H ILE A 90 -9.008 2.028 6.745 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.395 1.808 3.891 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.643 0.679 5.924 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.523 -0.034 3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.688 1.116 2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.473 -1.602 5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.068 -1.304 5.741 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.883 -1.287 3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.537 2.195 3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.796 2.859 4.464 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.614 1.692 5.102 1.00 0.00 H new ATOM 1383 N LYS A 91 -11.409 0.365 3.803 1.00 0.00 N ATOM 1384 CA LYS A 91 -12.579 -0.498 3.691 1.00 0.00 C ATOM 1385 C LYS A 91 -12.235 -1.786 2.948 1.00 0.00 C ATOM 1386 O LYS A 91 -12.848 -2.828 3.178 1.00 0.00 O ATOM 1387 CB LYS A 91 -13.712 0.233 2.969 1.00 0.00 C ATOM 1388 CG LYS A 91 -13.960 1.638 3.491 1.00 0.00 C ATOM 1389 CD LYS A 91 -15.027 1.650 4.573 1.00 0.00 C ATOM 1390 CE LYS A 91 -15.483 3.066 4.890 1.00 0.00 C ATOM 1391 NZ LYS A 91 -16.864 3.093 5.445 1.00 0.00 N ATOM 0 H LYS A 91 -11.282 1.005 3.019 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.907 -0.756 4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.479 0.285 1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -14.629 -0.349 3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.032 2.048 3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.267 2.284 2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.881 1.055 4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.636 1.182 5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.795 3.517 5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.444 3.671 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.137 4.076 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.524 2.686 4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.896 2.536 6.323 1.00 0.00 H new ATOM 1405 N ARG A 92 -11.252 -1.706 2.058 1.00 0.00 N ATOM 1406 CA ARG A 92 -10.828 -2.865 1.282 1.00 0.00 C ATOM 1407 C ARG A 92 -9.668 -2.505 0.358 1.00 0.00 C ATOM 1408 O ARG A 92 -9.662 -1.461 -0.295 1.00 0.00 O ATOM 1409 CB ARG A 92 -11.997 -3.411 0.460 1.00 0.00 C ATOM 1410 CG ARG A 92 -11.568 -4.134 -0.805 1.00 0.00 C ATOM 1411 CD ARG A 92 -11.199 -3.153 -1.908 1.00 0.00 C ATOM 1412 NE ARG A 92 -11.548 -3.662 -3.232 1.00 0.00 N ATOM 1413 CZ ARG A 92 -11.597 -2.903 -4.321 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -11.319 -1.609 -4.244 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -11.923 -3.439 -5.491 1.00 0.00 N ATOM 0 H ARG A 92 -10.734 -0.851 1.856 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.492 -3.633 1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.578 -4.095 1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.657 -2.586 0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.715 -4.776 -0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.375 -4.782 -1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.711 -2.206 -1.737 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.129 -2.949 -1.869 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.766 -4.654 -3.325 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.067 -1.194 -3.347 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.357 -1.028 -5.082 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.136 -4.434 -5.554 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.960 -2.855 -6.327 1.00 0.00 H new ATOM 1429 N PRO A 93 -8.661 -3.390 0.300 1.00 0.00 N ATOM 1430 CA PRO A 93 -7.477 -3.187 -0.540 1.00 0.00 C ATOM 1431 C PRO A 93 -7.794 -3.305 -2.026 1.00 0.00 C ATOM 1432 O PRO A 93 -8.448 -4.255 -2.459 1.00 0.00 O ATOM 1433 CB PRO A 93 -6.536 -4.313 -0.104 1.00 0.00 C ATOM 1434 CG PRO A 93 -7.436 -5.374 0.430 1.00 0.00 C ATOM 1435 CD PRO A 93 -8.601 -4.655 1.052 1.00 0.00 C ATOM 0 HA PRO A 93 -7.056 -2.189 -0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.944 -4.681 -0.942 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.834 -3.970 0.656 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.769 -6.040 -0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.919 -5.990 1.166 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.525 -5.225 0.953 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.445 -4.483 2.117 1.00 0.00 H new ATOM 1443 N PHE A 94 -7.327 -2.335 -2.805 1.00 0.00 N ATOM 1444 CA PHE A 94 -7.562 -2.329 -4.245 1.00 0.00 C ATOM 1445 C PHE A 94 -7.143 -3.657 -4.869 1.00 0.00 C ATOM 1446 O PHE A 94 -6.499 -4.484 -4.223 1.00 0.00 O ATOM 1447 CB PHE A 94 -6.797 -1.180 -4.903 1.00 0.00 C ATOM 1448 CG PHE A 94 -7.337 0.178 -4.554 1.00 0.00 C ATOM 1449 CD1 PHE A 94 -7.038 0.764 -3.335 1.00 0.00 C ATOM 1450 CD2 PHE A 94 -8.144 0.867 -5.445 1.00 0.00 C ATOM 1451 CE1 PHE A 94 -7.533 2.013 -3.011 1.00 0.00 C ATOM 1452 CE2 PHE A 94 -8.642 2.116 -5.127 1.00 0.00 C ATOM 1453 CZ PHE A 94 -8.337 2.690 -3.908 1.00 0.00 C ATOM 0 H PHE A 94 -6.783 -1.542 -2.464 1.00 0.00 H new ATOM 0 HA PHE A 94 -8.630 -2.189 -4.414 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.750 -1.233 -4.605 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.827 -1.307 -5.985 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.411 0.239 -2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.387 0.423 -6.399 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.292 2.459 -2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -9.269 2.643 -5.831 1.00 0.00 H new ATOM 0 HZ PHE A 94 -8.726 3.666 -3.657 1.00 0.00 H new ATOM 1463 N LEU A 95 -7.516 -3.855 -6.128 1.00 0.00 N ATOM 1464 CA LEU A 95 -7.181 -5.084 -6.841 1.00 0.00 C ATOM 1465 C LEU A 95 -6.138 -4.818 -7.923 1.00 0.00 C ATOM 1466 O LEU A 95 -6.369 -4.032 -8.841 1.00 0.00 O ATOM 1467 CB LEU A 95 -8.437 -5.693 -7.467 1.00 0.00 C ATOM 1468 CG LEU A 95 -9.318 -6.521 -6.531 1.00 0.00 C ATOM 1469 CD1 LEU A 95 -10.659 -6.816 -7.184 1.00 0.00 C ATOM 1470 CD2 LEU A 95 -8.615 -7.814 -6.144 1.00 0.00 C ATOM 0 H LEU A 95 -8.050 -3.181 -6.677 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.762 -5.789 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.040 -4.886 -7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.133 -6.325 -8.301 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.498 -5.943 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -11.273 -7.406 -6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -11.167 -5.879 -7.411 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.500 -7.375 -8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.256 -8.391 -5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.406 -8.397 -7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.679 -7.581 -5.636 1.00 0.00 H new ATOM 1482 N GLU A 96 -4.991 -5.480 -7.807 1.00 0.00 N ATOM 1483 CA GLU A 96 -3.914 -5.315 -8.776 1.00 0.00 C ATOM 1484 C GLU A 96 -3.196 -6.639 -9.021 1.00 0.00 C ATOM 1485 O GLU A 96 -2.896 -7.393 -8.095 1.00 0.00 O ATOM 1486 CB GLU A 96 -2.914 -4.264 -8.288 1.00 0.00 C ATOM 1487 CG GLU A 96 -3.432 -2.839 -8.390 1.00 0.00 C ATOM 1488 CD GLU A 96 -4.618 -2.582 -7.481 1.00 0.00 C ATOM 1489 OE1 GLU A 96 -4.671 -3.186 -6.390 1.00 0.00 O ATOM 1490 OE2 GLU A 96 -5.493 -1.775 -7.861 1.00 0.00 O ATOM 0 H GLU A 96 -4.784 -6.135 -7.053 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.354 -4.979 -9.715 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -2.656 -4.475 -7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -1.996 -4.351 -8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -2.629 -2.146 -8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.719 -2.634 -9.421 1.00 0.00 H new ATOM 1497 N PRO A 97 -2.914 -6.930 -10.300 1.00 0.00 N ATOM 1498 CA PRO A 97 -2.228 -8.163 -10.698 1.00 0.00 C ATOM 1499 C PRO A 97 -0.765 -8.177 -10.269 1.00 0.00 C ATOM 1500 O PRO A 97 -0.325 -7.326 -9.496 1.00 0.00 O ATOM 1501 CB PRO A 97 -2.337 -8.153 -12.224 1.00 0.00 C ATOM 1502 CG PRO A 97 -2.480 -6.714 -12.585 1.00 0.00 C ATOM 1503 CD PRO A 97 -3.242 -6.079 -11.455 1.00 0.00 C ATOM 0 HA PRO A 97 -2.669 -9.043 -10.231 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.453 -8.591 -12.687 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.195 -8.733 -12.563 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.505 -6.244 -12.711 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -3.013 -6.599 -13.529 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.934 -5.046 -11.293 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.314 -6.065 -11.652 1.00 0.00 H new ATOM 1511 N LYS A 98 -0.014 -9.149 -10.777 1.00 0.00 N ATOM 1512 CA LYS A 98 1.401 -9.273 -10.449 1.00 0.00 C ATOM 1513 C LYS A 98 2.266 -9.098 -11.692 1.00 0.00 C ATOM 1514 O LYS A 98 1.832 -9.384 -12.808 1.00 0.00 O ATOM 1515 CB LYS A 98 1.680 -10.635 -9.808 1.00 0.00 C ATOM 1516 CG LYS A 98 3.075 -10.758 -9.220 1.00 0.00 C ATOM 1517 CD LYS A 98 3.137 -10.195 -7.810 1.00 0.00 C ATOM 1518 CE LYS A 98 4.498 -10.435 -7.173 1.00 0.00 C ATOM 1519 NZ LYS A 98 4.517 -10.037 -5.739 1.00 0.00 N ATOM 0 H LYS A 98 -0.362 -9.862 -11.418 1.00 0.00 H new ATOM 0 HA LYS A 98 1.653 -8.485 -9.739 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.947 -10.814 -9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.541 -11.415 -10.557 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.375 -11.806 -9.208 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.786 -10.230 -9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.929 -9.125 -7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.361 -10.656 -7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.759 -11.490 -7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.257 -9.872 -7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.461 -10.216 -5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.293 -9.025 -5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.810 -10.592 -5.215 1.00 0.00 H new ATOM 1533 N LYS A 99 3.493 -8.628 -11.493 1.00 0.00 N ATOM 1534 CA LYS A 99 4.421 -8.417 -12.598 1.00 0.00 C ATOM 1535 C LYS A 99 5.098 -9.724 -12.997 1.00 0.00 C ATOM 1536 O LYS A 99 4.886 -10.762 -12.368 1.00 0.00 O ATOM 1537 CB LYS A 99 5.478 -7.380 -12.213 1.00 0.00 C ATOM 1538 CG LYS A 99 6.707 -7.981 -11.553 1.00 0.00 C ATOM 1539 CD LYS A 99 7.784 -6.934 -11.323 1.00 0.00 C ATOM 1540 CE LYS A 99 8.658 -6.754 -12.555 1.00 0.00 C ATOM 1541 NZ LYS A 99 9.859 -5.922 -12.266 1.00 0.00 N ATOM 0 H LYS A 99 3.868 -8.386 -10.576 1.00 0.00 H new ATOM 0 HA LYS A 99 3.852 -8.047 -13.451 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.785 -6.837 -13.107 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.031 -6.652 -11.536 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.426 -8.431 -10.601 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.103 -8.781 -12.179 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.319 -5.983 -11.063 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.404 -7.228 -10.476 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.973 -7.731 -12.923 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.075 -6.287 -13.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.429 -5.823 -13.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.559 -4.981 -11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.429 -6.380 -11.526 1.00 0.00 H new ATOM 1555 N HIS A 100 5.914 -9.668 -14.045 1.00 0.00 N ATOM 1556 CA HIS A 100 6.624 -10.848 -14.526 1.00 0.00 C ATOM 1557 C HIS A 100 7.585 -10.482 -15.653 1.00 0.00 C ATOM 1558 O HIS A 100 7.190 -9.869 -16.645 1.00 0.00 O ATOM 1559 CB HIS A 100 5.632 -11.905 -15.009 1.00 0.00 C ATOM 1560 CG HIS A 100 5.174 -12.836 -13.928 1.00 0.00 C ATOM 1561 ND1 HIS A 100 6.037 -13.433 -13.034 1.00 0.00 N ATOM 1562 CD2 HIS A 100 3.934 -13.269 -13.600 1.00 0.00 C ATOM 1563 CE1 HIS A 100 5.349 -14.195 -12.203 1.00 0.00 C ATOM 1564 NE2 HIS A 100 4.071 -14.113 -12.525 1.00 0.00 N ATOM 0 H HIS A 100 6.100 -8.818 -14.577 1.00 0.00 H new ATOM 0 HA HIS A 100 7.202 -11.256 -13.697 1.00 0.00 H new ATOM 0 HB2 HIS A 100 4.764 -11.406 -15.440 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.094 -12.487 -15.807 1.00 0.00 H new ATOM 0 HD2 HIS A 100 3.010 -13.001 -14.091 1.00 0.00 H new ATOM 0 HE1 HIS A 100 5.761 -14.785 -11.398 1.00 0.00 H new ATOM 0 HE2 HIS A 100 3.309 -14.598 -12.052 1.00 0.00 H new ATOM 1572 N VAL A 101 8.849 -10.860 -15.493 1.00 0.00 N ATOM 1573 CA VAL A 101 9.867 -10.572 -16.496 1.00 0.00 C ATOM 1574 C VAL A 101 10.685 -11.816 -16.823 1.00 0.00 C ATOM 1575 O VAL A 101 10.787 -12.735 -16.010 1.00 0.00 O ATOM 1576 CB VAL A 101 10.816 -9.453 -16.029 1.00 0.00 C ATOM 1577 CG1 VAL A 101 11.602 -9.897 -14.804 1.00 0.00 C ATOM 1578 CG2 VAL A 101 11.754 -9.046 -17.155 1.00 0.00 C ATOM 0 H VAL A 101 9.193 -11.367 -14.677 1.00 0.00 H new ATOM 0 HA VAL A 101 9.342 -10.241 -17.392 1.00 0.00 H new ATOM 0 HB VAL A 101 10.218 -8.584 -15.753 1.00 0.00 H new ATOM 0 HG11 VAL A 101 12.268 -9.094 -14.488 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.911 -10.135 -13.995 1.00 0.00 H new ATOM 0 HG13 VAL A 101 12.191 -10.780 -15.050 1.00 0.00 H new ATOM 0 HG21 VAL A 101 12.418 -8.254 -16.807 1.00 0.00 H new ATOM 0 HG22 VAL A 101 12.347 -9.907 -17.464 1.00 0.00 H new ATOM 0 HG23 VAL A 101 11.171 -8.685 -18.002 1.00 0.00 H new ATOM 1588 N GLY A 102 11.268 -11.838 -18.017 1.00 0.00 N ATOM 1589 CA GLY A 102 12.071 -12.975 -18.429 1.00 0.00 C ATOM 1590 C GLY A 102 13.451 -12.969 -17.801 1.00 0.00 C ATOM 1591 O GLY A 102 13.639 -12.440 -16.706 1.00 0.00 O ATOM 0 H GLY A 102 11.199 -11.089 -18.706 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.556 -13.897 -18.158 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.169 -12.972 -19.515 1.00 0.00 H new ATOM 1595 N GLY A 103 14.419 -13.559 -18.495 1.00 0.00 N ATOM 1596 CA GLY A 103 15.775 -13.610 -17.982 1.00 0.00 C ATOM 1597 C GLY A 103 16.799 -13.144 -18.998 1.00 0.00 C ATOM 1598 O GLY A 103 17.646 -13.921 -19.437 1.00 0.00 O ATOM 0 H GLY A 103 14.288 -14.003 -19.404 1.00 0.00 H new ATOM 0 HA2 GLY A 103 15.846 -12.989 -17.089 1.00 0.00 H new ATOM 0 HA3 GLY A 103 16.007 -14.631 -17.679 1.00 0.00 H new ATOM 1602 N SER A 104 16.718 -11.871 -19.375 1.00 0.00 N ATOM 1603 CA SER A 104 17.641 -11.305 -20.352 1.00 0.00 C ATOM 1604 C SER A 104 18.458 -10.175 -19.733 1.00 0.00 C ATOM 1605 O SER A 104 17.906 -9.217 -19.193 1.00 0.00 O ATOM 1606 CB SER A 104 16.874 -10.788 -21.570 1.00 0.00 C ATOM 1607 OG SER A 104 16.545 -11.846 -22.452 1.00 0.00 O ATOM 0 H SER A 104 16.024 -11.214 -19.019 1.00 0.00 H new ATOM 0 HA SER A 104 18.324 -12.093 -20.670 1.00 0.00 H new ATOM 0 HB2 SER A 104 15.963 -10.286 -21.244 1.00 0.00 H new ATOM 0 HB3 SER A 104 17.476 -10.047 -22.095 1.00 0.00 H new ATOM 0 HG SER A 104 16.054 -11.490 -23.221 1.00 0.00 H new ATOM 1613 N GLY A 105 19.781 -10.294 -19.818 1.00 0.00 N ATOM 1614 CA GLY A 105 20.654 -9.275 -19.263 1.00 0.00 C ATOM 1615 C GLY A 105 22.067 -9.778 -19.052 1.00 0.00 C ATOM 1616 O GLY A 105 22.504 -10.748 -19.672 1.00 0.00 O ATOM 0 H GLY A 105 20.263 -11.077 -20.261 1.00 0.00 H new ATOM 0 HA2 GLY A 105 20.674 -8.414 -19.931 1.00 0.00 H new ATOM 0 HA3 GLY A 105 20.248 -8.931 -18.312 1.00 0.00 H new ATOM 1620 N PRO A 106 22.811 -9.108 -18.159 1.00 0.00 N ATOM 1621 CA PRO A 106 24.196 -9.473 -17.848 1.00 0.00 C ATOM 1622 C PRO A 106 24.291 -10.791 -17.085 1.00 0.00 C ATOM 1623 O PRO A 106 23.557 -11.015 -16.122 1.00 0.00 O ATOM 1624 CB PRO A 106 24.682 -8.314 -16.974 1.00 0.00 C ATOM 1625 CG PRO A 106 23.443 -7.757 -16.360 1.00 0.00 C ATOM 1626 CD PRO A 106 22.356 -7.942 -17.383 1.00 0.00 C ATOM 0 HA PRO A 106 24.790 -9.623 -18.750 1.00 0.00 H new ATOM 0 HB2 PRO A 106 25.381 -8.659 -16.212 1.00 0.00 H new ATOM 0 HB3 PRO A 106 25.202 -7.562 -17.567 1.00 0.00 H new ATOM 0 HG2 PRO A 106 23.199 -8.276 -15.433 1.00 0.00 H new ATOM 0 HG3 PRO A 106 23.570 -6.703 -16.111 1.00 0.00 H new ATOM 0 HD2 PRO A 106 21.389 -8.124 -16.913 1.00 0.00 H new ATOM 0 HD3 PRO A 106 22.243 -7.060 -18.013 1.00 0.00 H new ATOM 1634 N SER A 107 25.198 -11.658 -17.521 1.00 0.00 N ATOM 1635 CA SER A 107 25.387 -12.954 -16.882 1.00 0.00 C ATOM 1636 C SER A 107 26.765 -13.045 -16.233 1.00 0.00 C ATOM 1637 O SER A 107 27.742 -12.498 -16.745 1.00 0.00 O ATOM 1638 CB SER A 107 25.216 -14.081 -17.903 1.00 0.00 C ATOM 1639 OG SER A 107 23.852 -14.258 -18.243 1.00 0.00 O ATOM 0 H SER A 107 25.814 -11.486 -18.315 1.00 0.00 H new ATOM 0 HA SER A 107 24.631 -13.061 -16.104 1.00 0.00 H new ATOM 0 HB2 SER A 107 25.791 -13.853 -18.800 1.00 0.00 H new ATOM 0 HB3 SER A 107 25.616 -15.009 -17.495 1.00 0.00 H new ATOM 0 HG SER A 107 23.769 -14.982 -18.898 1.00 0.00 H new ATOM 1645 N SER A 108 26.835 -13.741 -15.103 1.00 0.00 N ATOM 1646 CA SER A 108 28.092 -13.901 -14.381 1.00 0.00 C ATOM 1647 C SER A 108 28.746 -15.237 -14.719 1.00 0.00 C ATOM 1648 O SER A 108 29.946 -15.305 -14.986 1.00 0.00 O ATOM 1649 CB SER A 108 27.855 -13.804 -12.874 1.00 0.00 C ATOM 1650 OG SER A 108 29.059 -14.004 -12.153 1.00 0.00 O ATOM 0 H SER A 108 26.037 -14.203 -14.668 1.00 0.00 H new ATOM 0 HA SER A 108 28.763 -13.099 -14.688 1.00 0.00 H new ATOM 0 HB2 SER A 108 27.440 -12.826 -12.630 1.00 0.00 H new ATOM 0 HB3 SER A 108 27.118 -14.547 -12.570 1.00 0.00 H new ATOM 0 HG SER A 108 28.880 -13.935 -11.192 1.00 0.00 H new ATOM 1656 N GLY A 109 27.948 -16.300 -14.706 1.00 0.00 N ATOM 1657 CA GLY A 109 28.465 -17.621 -15.012 1.00 0.00 C ATOM 1658 C GLY A 109 27.963 -18.678 -14.049 1.00 0.00 C ATOM 1659 O GLY A 109 27.286 -18.364 -13.071 1.00 0.00 O ATOM 0 H GLY A 109 26.952 -16.270 -14.489 1.00 0.00 H new ATOM 0 HA2 GLY A 109 28.178 -17.894 -16.028 1.00 0.00 H new ATOM 0 HA3 GLY A 109 29.554 -17.597 -14.984 1.00 0.00 H new TER 1663 GLY A 109