USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 747 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A -5 SER OG : rot 180:sc=0.000796 USER MOD Set 1.2: A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.499 (180deg=-1.52!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -166:sc=-0.00185 (180deg=-0.0796) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ -127:sc= 0.0619 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.157 USER MOD Single : A 16 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.49) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00977 USER MOD Single : A 23 ASN : amide:sc= -0.299 K(o=-0.3,f=-2.7!) USER MOD Single : A 24 ASN : amide:sc=-0.00325 K(o=-0.0033,f=-0.8) USER MOD Single : A 27 TYR OH : rot 154:sc= 1.23 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.127) USER MOD Single : A 33 TYR OH : rot 30:sc= -0.314 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -138:sc= -7.37! (180deg=-13.9!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -155:sc= -1.35 (180deg=-2.35!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.156 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0157) USER MOD Single : A 63 SER OG : rot -64:sc= 0.133 USER MOD Single : A 65 GLN : amide:sc=-0.000687 X(o=-0.00069,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 67 CYS SG : rot 90:sc= 0.0759 USER MOD Single : A 68 THR OG1 : rot -110:sc= 0.00175 USER MOD Single : A 72 ASN : amide:sc= -1.53! C(o=-1.5!,f=-2.8!) USER MOD Single : A 73 ASN : amide:sc= -0.0236 X(o=-0.024,f=0.086) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0557 K(o=-0.056,f=-0.99) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -8.679 -3.903 16.782 1.00 0.00 N ATOM 2 CA GLY A -6 -7.805 -2.856 16.287 1.00 0.00 C ATOM 3 C GLY A -6 -6.371 -3.322 16.133 1.00 0.00 C ATOM 4 O GLY A -6 -6.110 -4.519 16.011 1.00 0.00 O ATOM 0 H1 GLY A -6 -9.496 -4.003 16.146 1.00 0.00 H new ATOM 0 H2 GLY A -6 -8.157 -4.802 16.819 1.00 0.00 H new ATOM 0 H3 GLY A -6 -9.011 -3.656 17.736 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -8.175 -2.504 15.324 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -7.837 -2.007 16.970 1.00 0.00 H new ATOM 8 N SER A -5 -5.439 -2.375 16.135 1.00 0.00 N ATOM 9 CA SER A -5 -4.024 -2.695 15.989 1.00 0.00 C ATOM 10 C SER A -5 -3.268 -2.423 17.286 1.00 0.00 C ATOM 11 O SER A -5 -2.481 -3.250 17.744 1.00 0.00 O ATOM 12 CB SER A -5 -3.411 -1.881 14.848 1.00 0.00 C ATOM 13 OG SER A -5 -3.862 -0.538 14.880 1.00 0.00 O ATOM 0 H SER A -5 -5.638 -1.380 16.236 1.00 0.00 H new ATOM 0 HA SER A -5 -3.939 -3.756 15.756 1.00 0.00 H new ATOM 0 HB2 SER A -5 -2.324 -1.905 14.923 1.00 0.00 H new ATOM 0 HB3 SER A -5 -3.674 -2.334 13.892 1.00 0.00 H new ATOM 0 HG SER A -5 -3.455 -0.038 14.142 1.00 0.00 H new ATOM 19 N SER A -4 -3.514 -1.256 17.873 1.00 0.00 N ATOM 20 CA SER A -4 -2.855 -0.871 19.116 1.00 0.00 C ATOM 21 C SER A -4 -1.338 -0.942 18.970 1.00 0.00 C ATOM 22 O SER A -4 -0.654 -1.570 19.778 1.00 0.00 O ATOM 23 CB SER A -4 -3.312 -1.776 20.262 1.00 0.00 C ATOM 24 OG SER A -4 -4.484 -1.269 20.875 1.00 0.00 O ATOM 0 H SER A -4 -4.165 -0.561 17.508 1.00 0.00 H new ATOM 0 HA SER A -4 -3.133 0.158 19.343 1.00 0.00 H new ATOM 0 HB2 SER A -4 -3.501 -2.780 19.883 1.00 0.00 H new ATOM 0 HB3 SER A -4 -2.517 -1.859 21.003 1.00 0.00 H new ATOM 0 HG SER A -4 -4.757 -1.866 21.603 1.00 0.00 H new ATOM 30 N GLY A -3 -0.818 -0.293 17.933 1.00 0.00 N ATOM 31 CA GLY A -3 0.615 -0.295 17.699 1.00 0.00 C ATOM 32 C GLY A -3 1.345 0.708 18.571 1.00 0.00 C ATOM 33 O GLY A -3 0.991 1.886 18.603 1.00 0.00 O ATOM 0 H GLY A -3 -1.363 0.234 17.251 1.00 0.00 H new ATOM 0 HA2 GLY A -3 1.010 -1.293 17.889 1.00 0.00 H new ATOM 0 HA3 GLY A -3 0.809 -0.070 16.650 1.00 0.00 H new ATOM 37 N SER A -2 2.367 0.239 19.280 1.00 0.00 N ATOM 38 CA SER A -2 3.146 1.102 20.160 1.00 0.00 C ATOM 39 C SER A -2 3.354 2.475 19.530 1.00 0.00 C ATOM 40 O SER A -2 3.788 2.585 18.383 1.00 0.00 O ATOM 41 CB SER A -2 4.500 0.460 20.470 1.00 0.00 C ATOM 42 OG SER A -2 4.347 -0.677 21.301 1.00 0.00 O ATOM 0 H SER A -2 2.675 -0.733 19.262 1.00 0.00 H new ATOM 0 HA SER A -2 2.590 1.229 21.089 1.00 0.00 H new ATOM 0 HB2 SER A -2 4.990 0.171 19.540 1.00 0.00 H new ATOM 0 HB3 SER A -2 5.147 1.188 20.959 1.00 0.00 H new ATOM 0 HG SER A -2 5.226 -1.070 21.483 1.00 0.00 H new ATOM 48 N SER A -1 3.041 3.521 20.288 1.00 0.00 N ATOM 49 CA SER A -1 3.189 4.889 19.803 1.00 0.00 C ATOM 50 C SER A -1 4.640 5.348 19.908 1.00 0.00 C ATOM 51 O SER A -1 5.127 5.660 20.994 1.00 0.00 O ATOM 52 CB SER A -1 2.284 5.834 20.596 1.00 0.00 C ATOM 53 OG SER A -1 2.357 7.155 20.088 1.00 0.00 O ATOM 0 H SER A -1 2.683 3.448 21.240 1.00 0.00 H new ATOM 0 HA SER A -1 2.894 4.911 18.754 1.00 0.00 H new ATOM 0 HB2 SER A -1 1.254 5.480 20.551 1.00 0.00 H new ATOM 0 HB3 SER A -1 2.577 5.828 21.646 1.00 0.00 H new ATOM 0 HG SER A -1 1.769 7.739 20.610 1.00 0.00 H new ATOM 59 N GLY A 0 5.326 5.387 18.770 1.00 0.00 N ATOM 60 CA GLY A 0 6.714 5.809 18.755 1.00 0.00 C ATOM 61 C GLY A 0 7.538 5.054 17.730 1.00 0.00 C ATOM 62 O GLY A 0 8.402 4.254 18.087 1.00 0.00 O ATOM 0 H GLY A 0 4.945 5.134 17.858 1.00 0.00 H new ATOM 0 HA2 GLY A 0 6.764 6.877 18.542 1.00 0.00 H new ATOM 0 HA3 GLY A 0 7.146 5.661 19.745 1.00 0.00 H new ATOM 66 N MET A 1 7.269 5.307 16.454 1.00 0.00 N ATOM 67 CA MET A 1 7.993 4.645 15.375 1.00 0.00 C ATOM 68 C MET A 1 9.299 5.371 15.070 1.00 0.00 C ATOM 69 O MET A 1 9.391 6.590 15.214 1.00 0.00 O ATOM 70 CB MET A 1 7.126 4.579 14.116 1.00 0.00 C ATOM 71 CG MET A 1 6.255 3.336 14.042 1.00 0.00 C ATOM 72 SD MET A 1 7.219 1.819 13.903 1.00 0.00 S ATOM 73 CE MET A 1 7.186 1.557 12.132 1.00 0.00 C ATOM 0 H MET A 1 6.555 5.965 16.142 1.00 0.00 H new ATOM 0 HA MET A 1 8.229 3.631 15.698 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.488 5.462 14.077 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.771 4.613 13.238 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.628 3.283 14.932 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.586 3.416 13.185 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.397 0.510 11.915 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.201 1.816 11.744 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.940 2.185 11.657 1.00 0.00 H new ATOM 83 N SER A 2 10.307 4.615 14.647 1.00 0.00 N ATOM 84 CA SER A 2 11.609 5.186 14.326 1.00 0.00 C ATOM 85 C SER A 2 11.962 4.945 12.861 1.00 0.00 C ATOM 86 O SER A 2 12.196 3.811 12.446 1.00 0.00 O ATOM 87 CB SER A 2 12.690 4.587 15.228 1.00 0.00 C ATOM 88 OG SER A 2 13.966 5.118 14.917 1.00 0.00 O ATOM 0 H SER A 2 10.247 3.605 14.519 1.00 0.00 H new ATOM 0 HA SER A 2 11.558 6.261 14.498 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.452 4.792 16.272 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.706 3.503 15.112 1.00 0.00 H new ATOM 0 HG SER A 2 14.639 4.720 15.508 1.00 0.00 H new ATOM 94 N GLY A 3 11.998 6.022 12.083 1.00 0.00 N ATOM 95 CA GLY A 3 12.323 5.908 10.673 1.00 0.00 C ATOM 96 C GLY A 3 12.204 7.230 9.941 1.00 0.00 C ATOM 97 O GLY A 3 11.565 8.162 10.429 1.00 0.00 O ATOM 0 H GLY A 3 11.808 6.971 12.404 1.00 0.00 H new ATOM 0 HA2 GLY A 3 13.339 5.528 10.567 1.00 0.00 H new ATOM 0 HA3 GLY A 3 11.660 5.178 10.208 1.00 0.00 H new ATOM 101 N GLY A 4 12.822 7.313 8.767 1.00 0.00 N ATOM 102 CA GLY A 4 12.772 8.536 7.987 1.00 0.00 C ATOM 103 C GLY A 4 11.494 8.657 7.181 1.00 0.00 C ATOM 104 O GLY A 4 11.459 8.307 6.001 1.00 0.00 O ATOM 0 H GLY A 4 13.356 6.555 8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.859 9.393 8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.628 8.569 7.313 1.00 0.00 H new ATOM 108 N LEU A 5 10.439 9.154 7.819 1.00 0.00 N ATOM 109 CA LEU A 5 9.151 9.319 7.154 1.00 0.00 C ATOM 110 C LEU A 5 8.216 10.190 7.987 1.00 0.00 C ATOM 111 O LEU A 5 8.490 10.473 9.153 1.00 0.00 O ATOM 112 CB LEU A 5 8.507 7.955 6.901 1.00 0.00 C ATOM 113 CG LEU A 5 7.965 7.230 8.134 1.00 0.00 C ATOM 114 CD1 LEU A 5 8.970 7.294 9.274 1.00 0.00 C ATOM 115 CD2 LEU A 5 6.632 7.827 8.561 1.00 0.00 C ATOM 0 H LEU A 5 10.451 9.449 8.795 1.00 0.00 H new ATOM 0 HA LEU A 5 9.324 9.815 6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.689 8.087 6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 5 9.244 7.311 6.420 1.00 0.00 H new ATOM 0 HG LEU A 5 7.805 6.183 7.876 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.568 6.773 10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.901 6.819 8.965 1.00 0.00 H new ATOM 0 HD13 LEU A 5 9.162 8.336 9.532 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.261 7.299 9.440 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.766 8.882 8.801 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.912 7.729 7.748 1.00 0.00 H new ATOM 127 N ALA A 6 7.111 10.610 7.381 1.00 0.00 N ATOM 128 CA ALA A 6 6.133 11.445 8.069 1.00 0.00 C ATOM 129 C ALA A 6 4.712 11.088 7.646 1.00 0.00 C ATOM 130 O ALA A 6 4.408 10.948 6.461 1.00 0.00 O ATOM 131 CB ALA A 6 6.412 12.916 7.798 1.00 0.00 C ATOM 0 H ALA A 6 6.870 10.386 6.415 1.00 0.00 H new ATOM 0 HA ALA A 6 6.223 11.260 9.139 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.675 13.528 8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.410 13.169 8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.351 13.106 6.726 1.00 0.00 H new ATOM 137 N PRO A 7 3.820 10.935 8.636 1.00 0.00 N ATOM 138 CA PRO A 7 2.416 10.592 8.390 1.00 0.00 C ATOM 139 C PRO A 7 1.645 11.735 7.739 1.00 0.00 C ATOM 140 O PRO A 7 1.268 12.700 8.404 1.00 0.00 O ATOM 141 CB PRO A 7 1.870 10.309 9.792 1.00 0.00 C ATOM 142 CG PRO A 7 2.750 11.089 10.706 1.00 0.00 C ATOM 143 CD PRO A 7 4.113 11.087 10.071 1.00 0.00 C ATOM 0 HA PRO A 7 2.316 9.754 7.701 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.830 10.621 9.882 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.904 9.244 10.023 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.379 12.106 10.831 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.781 10.637 11.698 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.653 12.012 10.275 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.729 10.269 10.444 1.00 0.00 H new ATOM 151 N SER A 8 1.415 11.620 6.435 1.00 0.00 N ATOM 152 CA SER A 8 0.691 12.646 5.693 1.00 0.00 C ATOM 153 C SER A 8 -0.501 12.044 4.956 1.00 0.00 C ATOM 154 O SER A 8 -0.651 10.824 4.885 1.00 0.00 O ATOM 155 CB SER A 8 1.624 13.339 4.698 1.00 0.00 C ATOM 156 OG SER A 8 2.804 13.795 5.338 1.00 0.00 O ATOM 0 H SER A 8 1.719 10.827 5.870 1.00 0.00 H new ATOM 0 HA SER A 8 0.320 13.382 6.406 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.885 12.647 3.897 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.108 14.181 4.237 1.00 0.00 H new ATOM 0 HG SER A 8 3.384 14.233 4.681 1.00 0.00 H new ATOM 162 N LYS A 9 -1.347 12.909 4.407 1.00 0.00 N ATOM 163 CA LYS A 9 -2.526 12.465 3.672 1.00 0.00 C ATOM 164 C LYS A 9 -2.149 11.444 2.603 1.00 0.00 C ATOM 165 O LYS A 9 -2.790 10.401 2.475 1.00 0.00 O ATOM 166 CB LYS A 9 -3.229 13.661 3.026 1.00 0.00 C ATOM 167 CG LYS A 9 -3.818 14.637 4.030 1.00 0.00 C ATOM 168 CD LYS A 9 -4.697 15.674 3.351 1.00 0.00 C ATOM 169 CE LYS A 9 -5.707 16.269 4.320 1.00 0.00 C ATOM 170 NZ LYS A 9 -6.815 15.320 4.618 1.00 0.00 N ATOM 0 H LYS A 9 -1.238 13.922 4.457 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.206 11.989 4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.518 14.190 2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.025 13.296 2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.404 14.091 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.013 15.137 4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.074 16.468 2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.222 15.215 2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.203 16.542 5.247 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.118 17.186 3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.594 15.830 5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.157 14.897 3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.469 14.569 5.249 1.00 0.00 H new ATOM 184 N SER A 10 -1.106 11.752 1.840 1.00 0.00 N ATOM 185 CA SER A 10 -0.645 10.862 0.780 1.00 0.00 C ATOM 186 C SER A 10 -0.571 9.421 1.276 1.00 0.00 C ATOM 187 O SER A 10 -0.921 8.485 0.556 1.00 0.00 O ATOM 188 CB SER A 10 0.726 11.309 0.270 1.00 0.00 C ATOM 189 OG SER A 10 1.669 11.369 1.326 1.00 0.00 O ATOM 0 H SER A 10 -0.564 12.611 1.935 1.00 0.00 H new ATOM 0 HA SER A 10 -1.362 10.910 -0.039 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.076 10.616 -0.495 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.641 12.288 -0.201 1.00 0.00 H new ATOM 0 HG SER A 10 2.537 11.655 0.973 1.00 0.00 H new ATOM 195 N THR A 11 -0.111 9.249 2.511 1.00 0.00 N ATOM 196 CA THR A 11 0.011 7.923 3.104 1.00 0.00 C ATOM 197 C THR A 11 -1.358 7.335 3.422 1.00 0.00 C ATOM 198 O THR A 11 -2.318 8.066 3.669 1.00 0.00 O ATOM 199 CB THR A 11 0.854 7.960 4.393 1.00 0.00 C ATOM 200 OG1 THR A 11 2.085 8.650 4.154 1.00 0.00 O ATOM 201 CG2 THR A 11 1.143 6.552 4.891 1.00 0.00 C ATOM 0 H THR A 11 0.183 10.012 3.121 1.00 0.00 H new ATOM 0 HA THR A 11 0.512 7.293 2.369 1.00 0.00 H new ATOM 0 HB THR A 11 0.285 8.489 5.158 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.614 8.670 4.979 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.739 6.604 5.802 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.204 6.040 5.101 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.693 6.002 4.128 1.00 0.00 H new ATOM 209 N VAL A 12 -1.443 6.008 3.416 1.00 0.00 N ATOM 210 CA VAL A 12 -2.696 5.321 3.706 1.00 0.00 C ATOM 211 C VAL A 12 -2.518 4.305 4.828 1.00 0.00 C ATOM 212 O VAL A 12 -1.739 3.359 4.706 1.00 0.00 O ATOM 213 CB VAL A 12 -3.243 4.601 2.459 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.508 3.829 2.800 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.503 5.598 1.340 1.00 0.00 C ATOM 0 H VAL A 12 -0.659 5.388 3.213 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.410 6.083 4.019 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.493 3.889 2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.880 3.327 1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.286 3.087 3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.266 4.519 3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.889 5.072 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.234 6.335 1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.573 6.102 1.078 1.00 0.00 H new ATOM 225 N TYR A 13 -3.246 4.506 5.921 1.00 0.00 N ATOM 226 CA TYR A 13 -3.168 3.608 7.068 1.00 0.00 C ATOM 227 C TYR A 13 -3.910 2.304 6.790 1.00 0.00 C ATOM 228 O TYR A 13 -5.137 2.244 6.875 1.00 0.00 O ATOM 229 CB TYR A 13 -3.748 4.283 8.312 1.00 0.00 C ATOM 230 CG TYR A 13 -3.280 3.665 9.610 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.349 2.292 9.813 1.00 0.00 C ATOM 232 CD2 TYR A 13 -2.769 4.454 10.633 1.00 0.00 C ATOM 233 CE1 TYR A 13 -2.924 1.723 10.998 1.00 0.00 C ATOM 234 CE2 TYR A 13 -2.340 3.893 11.821 1.00 0.00 C ATOM 235 CZ TYR A 13 -2.420 2.528 11.998 1.00 0.00 C ATOM 236 OH TYR A 13 -1.995 1.965 13.180 1.00 0.00 O ATOM 0 H TYR A 13 -3.897 5.283 6.037 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.118 3.377 7.245 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.476 5.338 8.303 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.836 4.234 8.268 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.742 1.659 9.031 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.706 5.524 10.498 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.986 0.654 11.140 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.944 4.520 12.606 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.667 2.669 13.778 1.00 0.00 H new ATOM 246 N VAL A 14 -3.156 1.261 6.458 1.00 0.00 N ATOM 247 CA VAL A 14 -3.740 -0.043 6.170 1.00 0.00 C ATOM 248 C VAL A 14 -3.326 -1.074 7.213 1.00 0.00 C ATOM 249 O VAL A 14 -2.163 -1.134 7.614 1.00 0.00 O ATOM 250 CB VAL A 14 -3.327 -0.547 4.774 1.00 0.00 C ATOM 251 CG1 VAL A 14 -4.293 -1.615 4.284 1.00 0.00 C ATOM 252 CG2 VAL A 14 -3.256 0.611 3.790 1.00 0.00 C ATOM 0 H VAL A 14 -2.139 1.294 6.382 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.822 0.083 6.198 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.336 -0.994 4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.985 -1.959 3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.289 -2.455 4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.298 -1.197 4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.963 0.237 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.233 1.089 3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.521 1.338 4.136 1.00 0.00 H new ATOM 262 N SER A 15 -4.284 -1.885 7.650 1.00 0.00 N ATOM 263 CA SER A 15 -4.020 -2.913 8.650 1.00 0.00 C ATOM 264 C SER A 15 -4.619 -4.250 8.226 1.00 0.00 C ATOM 265 O SER A 15 -5.361 -4.328 7.248 1.00 0.00 O ATOM 266 CB SER A 15 -4.589 -2.493 10.006 1.00 0.00 C ATOM 267 OG SER A 15 -3.656 -1.710 10.731 1.00 0.00 O ATOM 0 H SER A 15 -5.251 -1.850 7.327 1.00 0.00 H new ATOM 0 HA SER A 15 -2.940 -3.031 8.738 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.508 -1.925 9.858 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.851 -3.379 10.584 1.00 0.00 H new ATOM 0 HG SER A 15 -4.045 -1.453 11.593 1.00 0.00 H new ATOM 273 N ASN A 16 -4.289 -5.301 8.970 1.00 0.00 N ATOM 274 CA ASN A 16 -4.794 -6.637 8.672 1.00 0.00 C ATOM 275 C ASN A 16 -4.293 -7.117 7.314 1.00 0.00 C ATOM 276 O ASN A 16 -4.928 -7.947 6.663 1.00 0.00 O ATOM 277 CB ASN A 16 -6.323 -6.644 8.696 1.00 0.00 C ATOM 278 CG ASN A 16 -6.879 -6.968 10.069 1.00 0.00 C ATOM 279 OD1 ASN A 16 -6.888 -6.121 10.963 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.345 -8.199 10.243 1.00 0.00 N ATOM 0 H ASN A 16 -3.675 -5.254 9.783 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.423 -7.318 9.438 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.693 -5.669 8.378 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.691 -7.375 7.976 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.731 -8.475 11.146 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.317 -8.868 9.474 1.00 0.00 H new ATOM 287 N LEU A 17 -3.149 -6.589 6.891 1.00 0.00 N ATOM 288 CA LEU A 17 -2.561 -6.964 5.610 1.00 0.00 C ATOM 289 C LEU A 17 -1.783 -8.271 5.729 1.00 0.00 C ATOM 290 O LEU A 17 -1.170 -8.566 6.755 1.00 0.00 O ATOM 291 CB LEU A 17 -1.639 -5.853 5.105 1.00 0.00 C ATOM 292 CG LEU A 17 -2.326 -4.668 4.425 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.400 -3.462 4.388 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.772 -5.043 3.020 1.00 0.00 C ATOM 0 H LEU A 17 -2.611 -5.900 7.417 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.371 -7.109 4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.061 -5.477 5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.930 -6.289 4.401 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.209 -4.404 5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.907 -2.629 3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.132 -3.178 5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.497 -3.713 3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.259 -4.187 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.904 -5.335 2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.473 -5.876 3.071 1.00 0.00 H new ATOM 306 N PRO A 18 -1.804 -9.073 4.654 1.00 0.00 N ATOM 307 CA PRO A 18 -1.104 -10.360 4.612 1.00 0.00 C ATOM 308 C PRO A 18 0.412 -10.194 4.580 1.00 0.00 C ATOM 309 O PRO A 18 1.028 -10.231 3.514 1.00 0.00 O ATOM 310 CB PRO A 18 -1.601 -10.992 3.310 1.00 0.00 C ATOM 311 CG PRO A 18 -1.997 -9.838 2.456 1.00 0.00 C ATOM 312 CD PRO A 18 -2.514 -8.785 3.396 1.00 0.00 C ATOM 0 HA PRO A 18 -1.305 -10.963 5.498 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.820 -11.586 2.835 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.444 -11.659 3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.147 -9.467 1.883 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.763 -10.129 1.737 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.297 -7.780 3.033 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.595 -8.852 3.520 1.00 0.00 H new ATOM 320 N PHE A 19 1.008 -10.011 5.753 1.00 0.00 N ATOM 321 CA PHE A 19 2.452 -9.839 5.859 1.00 0.00 C ATOM 322 C PHE A 19 3.186 -10.862 4.997 1.00 0.00 C ATOM 323 O PHE A 19 4.332 -10.648 4.603 1.00 0.00 O ATOM 324 CB PHE A 19 2.897 -9.970 7.317 1.00 0.00 C ATOM 325 CG PHE A 19 2.180 -11.056 8.067 1.00 0.00 C ATOM 326 CD1 PHE A 19 2.678 -12.349 8.084 1.00 0.00 C ATOM 327 CD2 PHE A 19 1.009 -10.784 8.754 1.00 0.00 C ATOM 328 CE1 PHE A 19 2.021 -13.351 8.774 1.00 0.00 C ATOM 329 CE2 PHE A 19 0.347 -11.781 9.446 1.00 0.00 C ATOM 330 CZ PHE A 19 0.853 -13.066 9.455 1.00 0.00 C ATOM 0 H PHE A 19 0.513 -9.978 6.644 1.00 0.00 H new ATOM 0 HA PHE A 19 2.701 -8.841 5.499 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.969 -10.167 7.345 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.734 -9.020 7.825 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.590 -12.577 7.552 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.608 -9.781 8.749 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.420 -14.355 8.781 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.565 -11.555 9.979 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.337 -13.847 9.993 1.00 0.00 H new ATOM 340 N SER A 20 2.516 -11.973 4.709 1.00 0.00 N ATOM 341 CA SER A 20 3.106 -13.032 3.897 1.00 0.00 C ATOM 342 C SER A 20 3.747 -12.458 2.638 1.00 0.00 C ATOM 343 O SER A 20 4.693 -13.029 2.093 1.00 0.00 O ATOM 344 CB SER A 20 2.042 -14.064 3.517 1.00 0.00 C ATOM 345 OG SER A 20 1.580 -14.765 4.658 1.00 0.00 O ATOM 0 H SER A 20 1.565 -12.164 5.025 1.00 0.00 H new ATOM 0 HA SER A 20 3.881 -13.520 4.487 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.205 -13.565 3.030 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.456 -14.769 2.796 1.00 0.00 H new ATOM 0 HG SER A 20 0.900 -15.417 4.388 1.00 0.00 H new ATOM 351 N LEU A 21 3.226 -11.325 2.180 1.00 0.00 N ATOM 352 CA LEU A 21 3.747 -10.671 0.984 1.00 0.00 C ATOM 353 C LEU A 21 4.982 -9.839 1.313 1.00 0.00 C ATOM 354 O LEU A 21 5.389 -9.741 2.471 1.00 0.00 O ATOM 355 CB LEU A 21 2.672 -9.782 0.356 1.00 0.00 C ATOM 356 CG LEU A 21 1.263 -10.373 0.296 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.255 -9.310 -0.112 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.219 -11.550 -0.667 1.00 0.00 C ATOM 0 H LEU A 21 2.443 -10.840 2.619 1.00 0.00 H new ATOM 0 HA LEU A 21 4.032 -11.445 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.629 -8.848 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.983 -9.532 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 21 0.998 -10.733 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.742 -9.749 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.267 -8.499 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.516 -8.919 -1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.209 -11.958 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.505 -11.215 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.912 -12.321 -0.331 1.00 0.00 H new ATOM 370 N THR A 22 5.576 -9.239 0.285 1.00 0.00 N ATOM 371 CA THR A 22 6.764 -8.415 0.464 1.00 0.00 C ATOM 372 C THR A 22 6.502 -6.973 0.044 1.00 0.00 C ATOM 373 O THR A 22 5.515 -6.683 -0.630 1.00 0.00 O ATOM 374 CB THR A 22 7.956 -8.964 -0.344 1.00 0.00 C ATOM 375 OG1 THR A 22 9.173 -8.360 0.108 1.00 0.00 O ATOM 376 CG2 THR A 22 7.771 -8.695 -1.830 1.00 0.00 C ATOM 0 H THR A 22 5.253 -9.309 -0.680 1.00 0.00 H new ATOM 0 HA THR A 22 7.010 -8.443 1.526 1.00 0.00 H new ATOM 0 HB THR A 22 8.007 -10.042 -0.190 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.926 -8.715 -0.409 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.624 -9.091 -2.380 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.859 -9.180 -2.177 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.697 -7.621 -1.999 1.00 0.00 H new ATOM 384 N ASN A 23 7.392 -6.073 0.448 1.00 0.00 N ATOM 385 CA ASN A 23 7.255 -4.660 0.113 1.00 0.00 C ATOM 386 C ASN A 23 6.799 -4.485 -1.332 1.00 0.00 C ATOM 387 O ASN A 23 5.844 -3.759 -1.608 1.00 0.00 O ATOM 388 CB ASN A 23 8.583 -3.932 0.332 1.00 0.00 C ATOM 389 CG ASN A 23 9.140 -4.150 1.726 1.00 0.00 C ATOM 390 OD1 ASN A 23 8.496 -4.769 2.573 1.00 0.00 O ATOM 391 ND2 ASN A 23 10.342 -3.641 1.969 1.00 0.00 N ATOM 0 H ASN A 23 8.215 -6.296 1.007 1.00 0.00 H new ATOM 0 HA ASN A 23 6.499 -4.228 0.769 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.309 -4.277 -0.404 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.441 -2.865 0.163 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.768 -3.756 2.889 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.839 -3.135 1.236 1.00 0.00 H new ATOM 398 N ASN A 24 7.487 -5.156 -2.249 1.00 0.00 N ATOM 399 CA ASN A 24 7.152 -5.075 -3.667 1.00 0.00 C ATOM 400 C ASN A 24 5.675 -5.379 -3.895 1.00 0.00 C ATOM 401 O ASN A 24 4.967 -4.616 -4.552 1.00 0.00 O ATOM 402 CB ASN A 24 8.015 -6.048 -4.472 1.00 0.00 C ATOM 403 CG ASN A 24 7.700 -6.008 -5.955 1.00 0.00 C ATOM 404 OD1 ASN A 24 6.929 -6.824 -6.459 1.00 0.00 O ATOM 405 ND2 ASN A 24 8.299 -5.056 -6.662 1.00 0.00 N ATOM 0 H ASN A 24 8.280 -5.762 -2.037 1.00 0.00 H new ATOM 0 HA ASN A 24 7.351 -4.058 -4.005 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.067 -5.808 -4.320 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.862 -7.060 -4.098 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.127 -4.981 -7.665 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.931 -4.401 -6.202 1.00 0.00 H new ATOM 412 N ASP A 25 5.216 -6.499 -3.347 1.00 0.00 N ATOM 413 CA ASP A 25 3.822 -6.904 -3.489 1.00 0.00 C ATOM 414 C ASP A 25 2.884 -5.734 -3.207 1.00 0.00 C ATOM 415 O ASP A 25 2.196 -5.247 -4.105 1.00 0.00 O ATOM 416 CB ASP A 25 3.507 -8.065 -2.543 1.00 0.00 C ATOM 417 CG ASP A 25 4.177 -9.356 -2.969 1.00 0.00 C ATOM 418 OD1 ASP A 25 5.238 -9.287 -3.624 1.00 0.00 O ATOM 419 OD2 ASP A 25 3.641 -10.437 -2.647 1.00 0.00 O ATOM 0 H ASP A 25 5.789 -7.142 -2.801 1.00 0.00 H new ATOM 0 HA ASP A 25 3.668 -7.230 -4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.831 -7.807 -1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.428 -8.215 -2.503 1.00 0.00 H new ATOM 424 N LEU A 26 2.862 -5.289 -1.956 1.00 0.00 N ATOM 425 CA LEU A 26 2.008 -4.176 -1.555 1.00 0.00 C ATOM 426 C LEU A 26 2.066 -3.048 -2.580 1.00 0.00 C ATOM 427 O LEU A 26 1.041 -2.631 -3.118 1.00 0.00 O ATOM 428 CB LEU A 26 2.429 -3.654 -0.181 1.00 0.00 C ATOM 429 CG LEU A 26 2.296 -4.639 0.981 1.00 0.00 C ATOM 430 CD1 LEU A 26 3.009 -4.108 2.215 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.830 -4.911 1.286 1.00 0.00 C ATOM 0 H LEU A 26 3.425 -5.681 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 26 0.982 -4.539 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.468 -3.331 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.833 -2.770 0.048 1.00 0.00 H new ATOM 0 HG LEU A 26 2.766 -5.579 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.904 -4.822 3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.066 -3.966 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.569 -3.155 2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.755 -5.614 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.335 -3.978 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.348 -5.336 0.406 1.00 0.00 H new ATOM 443 N TYR A 27 3.273 -2.561 -2.847 1.00 0.00 N ATOM 444 CA TYR A 27 3.465 -1.481 -3.808 1.00 0.00 C ATOM 445 C TYR A 27 2.598 -1.691 -5.045 1.00 0.00 C ATOM 446 O TYR A 27 1.807 -0.824 -5.417 1.00 0.00 O ATOM 447 CB TYR A 27 4.937 -1.387 -4.213 1.00 0.00 C ATOM 448 CG TYR A 27 5.220 -0.293 -5.218 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.935 -0.470 -6.566 1.00 0.00 C ATOM 450 CD2 TYR A 27 5.774 0.917 -4.819 1.00 0.00 C ATOM 451 CE1 TYR A 27 5.192 0.526 -7.487 1.00 0.00 C ATOM 452 CE2 TYR A 27 6.033 1.920 -5.733 1.00 0.00 C ATOM 453 CZ TYR A 27 5.741 1.719 -7.066 1.00 0.00 C ATOM 454 OH TYR A 27 5.999 2.715 -7.981 1.00 0.00 O ATOM 0 H TYR A 27 4.132 -2.897 -2.412 1.00 0.00 H new ATOM 0 HA TYR A 27 3.165 -0.548 -3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.540 -1.215 -3.322 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.252 -2.343 -4.631 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.505 -1.403 -6.899 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.006 1.076 -3.776 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.964 0.372 -8.531 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.462 2.856 -5.406 1.00 0.00 H new ATOM 0 HH TYR A 27 5.982 3.585 -7.531 1.00 0.00 H new ATOM 464 N ARG A 28 2.753 -2.850 -5.678 1.00 0.00 N ATOM 465 CA ARG A 28 1.985 -3.175 -6.874 1.00 0.00 C ATOM 466 C ARG A 28 0.502 -3.319 -6.545 1.00 0.00 C ATOM 467 O ARG A 28 -0.336 -2.594 -7.082 1.00 0.00 O ATOM 468 CB ARG A 28 2.506 -4.468 -7.504 1.00 0.00 C ATOM 469 CG ARG A 28 3.754 -4.273 -8.350 1.00 0.00 C ATOM 470 CD ARG A 28 4.370 -5.605 -8.749 1.00 0.00 C ATOM 471 NE ARG A 28 5.731 -5.448 -9.255 1.00 0.00 N ATOM 472 CZ ARG A 28 6.015 -5.092 -10.503 1.00 0.00 C ATOM 473 NH1 ARG A 28 5.037 -4.856 -11.367 1.00 0.00 N ATOM 474 NH2 ARG A 28 7.278 -4.970 -10.889 1.00 0.00 N ATOM 0 H ARG A 28 3.403 -3.579 -5.383 1.00 0.00 H new ATOM 0 HA ARG A 28 2.104 -2.358 -7.585 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.722 -5.186 -6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.721 -4.902 -8.124 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.503 -3.704 -9.245 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.484 -3.685 -7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.378 -6.273 -7.888 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.751 -6.076 -9.513 1.00 0.00 H new ATOM 0 HE ARG A 28 6.506 -5.621 -8.615 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.064 -4.948 -11.074 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.257 -4.583 -12.325 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.033 -5.150 -10.227 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.494 -4.697 -11.848 1.00 0.00 H new ATOM 488 N ILE A 29 0.186 -4.259 -5.661 1.00 0.00 N ATOM 489 CA ILE A 29 -1.196 -4.497 -5.261 1.00 0.00 C ATOM 490 C ILE A 29 -1.961 -3.186 -5.119 1.00 0.00 C ATOM 491 O ILE A 29 -2.991 -2.983 -5.762 1.00 0.00 O ATOM 492 CB ILE A 29 -1.271 -5.269 -3.930 1.00 0.00 C ATOM 493 CG1 ILE A 29 -0.786 -6.708 -4.121 1.00 0.00 C ATOM 494 CG2 ILE A 29 -2.693 -5.252 -3.388 1.00 0.00 C ATOM 495 CD1 ILE A 29 -0.452 -7.410 -2.824 1.00 0.00 C ATOM 0 H ILE A 29 0.867 -4.868 -5.208 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.653 -5.098 -6.047 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.620 -4.779 -3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.555 -7.276 -4.644 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.097 -6.703 -4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.730 -5.801 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.006 -4.222 -3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.363 -5.721 -4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.115 -8.425 -3.036 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.339 -6.865 -2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.339 -7.447 -2.191 1.00 0.00 H new ATOM 507 N PHE A 30 -1.449 -2.297 -4.274 1.00 0.00 N ATOM 508 CA PHE A 30 -2.084 -1.004 -4.048 1.00 0.00 C ATOM 509 C PHE A 30 -2.002 -0.132 -5.298 1.00 0.00 C ATOM 510 O PHE A 30 -2.792 0.796 -5.473 1.00 0.00 O ATOM 511 CB PHE A 30 -1.423 -0.287 -2.869 1.00 0.00 C ATOM 512 CG PHE A 30 -1.854 -0.813 -1.530 1.00 0.00 C ATOM 513 CD1 PHE A 30 -2.977 -0.303 -0.899 1.00 0.00 C ATOM 514 CD2 PHE A 30 -1.136 -1.818 -0.902 1.00 0.00 C ATOM 515 CE1 PHE A 30 -3.375 -0.785 0.334 1.00 0.00 C ATOM 516 CE2 PHE A 30 -1.530 -2.305 0.331 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.651 -1.788 0.949 1.00 0.00 C ATOM 0 H PHE A 30 -0.597 -2.448 -3.735 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.135 -1.179 -3.816 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.341 -0.382 -2.957 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.655 0.777 -2.924 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.548 0.480 -1.376 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.258 -2.226 -1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.251 -0.378 0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.962 -3.089 0.810 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.961 -2.167 1.912 1.00 0.00 H new ATOM 527 N SER A 31 -1.041 -0.438 -6.164 1.00 0.00 N ATOM 528 CA SER A 31 -0.853 0.319 -7.396 1.00 0.00 C ATOM 529 C SER A 31 -2.106 0.264 -8.264 1.00 0.00 C ATOM 530 O SER A 31 -2.246 1.024 -9.223 1.00 0.00 O ATOM 531 CB SER A 31 0.346 -0.225 -8.175 1.00 0.00 C ATOM 532 OG SER A 31 0.891 0.766 -9.029 1.00 0.00 O ATOM 0 H SER A 31 -0.381 -1.205 -6.035 1.00 0.00 H new ATOM 0 HA SER A 31 -0.663 1.359 -7.130 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.110 -0.570 -7.478 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.039 -1.089 -8.765 1.00 0.00 H new ATOM 0 HG SER A 31 1.657 0.394 -9.515 1.00 0.00 H new ATOM 538 N LYS A 32 -3.017 -0.641 -7.921 1.00 0.00 N ATOM 539 CA LYS A 32 -4.260 -0.796 -8.667 1.00 0.00 C ATOM 540 C LYS A 32 -5.173 0.408 -8.459 1.00 0.00 C ATOM 541 O LYS A 32 -6.060 0.674 -9.270 1.00 0.00 O ATOM 542 CB LYS A 32 -4.980 -2.076 -8.237 1.00 0.00 C ATOM 543 CG LYS A 32 -5.566 -2.004 -6.838 1.00 0.00 C ATOM 544 CD LYS A 32 -6.199 -3.324 -6.430 1.00 0.00 C ATOM 545 CE LYS A 32 -6.116 -3.540 -4.926 1.00 0.00 C ATOM 546 NZ LYS A 32 -6.015 -4.984 -4.578 1.00 0.00 N ATOM 0 H LYS A 32 -2.917 -1.278 -7.131 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.013 -0.864 -9.727 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.780 -2.289 -8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.280 -2.910 -8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.783 -1.740 -6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.314 -1.212 -6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.243 -3.341 -6.744 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.698 -4.144 -6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.250 -3.010 -4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.997 -3.112 -4.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.808 -5.083 -3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.915 -5.457 -4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.251 -5.422 -5.132 1.00 0.00 H new ATOM 560 N TYR A 33 -4.951 1.131 -7.367 1.00 0.00 N ATOM 561 CA TYR A 33 -5.755 2.306 -7.052 1.00 0.00 C ATOM 562 C TYR A 33 -5.012 3.588 -7.417 1.00 0.00 C ATOM 563 O TYR A 33 -5.576 4.491 -8.034 1.00 0.00 O ATOM 564 CB TYR A 33 -6.117 2.319 -5.566 1.00 0.00 C ATOM 565 CG TYR A 33 -6.896 1.102 -5.122 1.00 0.00 C ATOM 566 CD1 TYR A 33 -8.156 0.832 -5.641 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.371 0.221 -4.184 1.00 0.00 C ATOM 568 CE1 TYR A 33 -8.872 -0.278 -5.237 1.00 0.00 C ATOM 569 CE2 TYR A 33 -7.079 -0.893 -3.776 1.00 0.00 C ATOM 570 CZ TYR A 33 -8.329 -1.138 -4.305 1.00 0.00 C ATOM 571 OH TYR A 33 -9.038 -2.246 -3.902 1.00 0.00 O ATOM 0 H TYR A 33 -4.221 0.924 -6.685 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.670 2.257 -7.642 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.202 2.388 -4.978 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.702 3.213 -5.351 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.583 1.501 -6.373 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.393 0.410 -3.767 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.852 -0.472 -5.649 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.656 -1.568 -3.047 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.614 -2.550 -4.634 1.00 0.00 H new ATOM 581 N GLY A 34 -3.742 3.659 -7.032 1.00 0.00 N ATOM 582 CA GLY A 34 -2.942 4.833 -7.327 1.00 0.00 C ATOM 583 C GLY A 34 -1.455 4.537 -7.326 1.00 0.00 C ATOM 584 O GLY A 34 -0.978 3.716 -6.542 1.00 0.00 O ATOM 0 H GLY A 34 -3.253 2.924 -6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.230 5.230 -8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.155 5.608 -6.591 1.00 0.00 H new ATOM 588 N LYS A 35 -0.720 5.205 -8.208 1.00 0.00 N ATOM 589 CA LYS A 35 0.722 5.009 -8.308 1.00 0.00 C ATOM 590 C LYS A 35 1.382 5.120 -6.937 1.00 0.00 C ATOM 591 O LYS A 35 1.108 6.050 -6.178 1.00 0.00 O ATOM 592 CB LYS A 35 1.332 6.037 -9.263 1.00 0.00 C ATOM 593 CG LYS A 35 2.588 5.547 -9.963 1.00 0.00 C ATOM 594 CD LYS A 35 2.258 4.576 -11.085 1.00 0.00 C ATOM 595 CE LYS A 35 2.048 5.302 -12.406 1.00 0.00 C ATOM 596 NZ LYS A 35 1.909 4.352 -13.544 1.00 0.00 N ATOM 0 H LYS A 35 -1.099 5.887 -8.865 1.00 0.00 H new ATOM 0 HA LYS A 35 0.901 4.007 -8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.590 6.308 -10.014 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.567 6.944 -8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.136 6.398 -10.367 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.242 5.060 -9.240 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.066 3.852 -11.191 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.359 4.015 -10.830 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.155 5.924 -12.341 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.889 5.970 -12.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.768 4.885 -14.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.771 3.776 -13.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.091 3.731 -13.380 1.00 0.00 H new ATOM 610 N VAL A 36 2.254 4.165 -6.626 1.00 0.00 N ATOM 611 CA VAL A 36 2.955 4.157 -5.348 1.00 0.00 C ATOM 612 C VAL A 36 4.369 4.706 -5.493 1.00 0.00 C ATOM 613 O VAL A 36 5.067 4.404 -6.461 1.00 0.00 O ATOM 614 CB VAL A 36 3.025 2.737 -4.755 1.00 0.00 C ATOM 615 CG1 VAL A 36 3.515 2.783 -3.316 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.668 2.056 -4.843 1.00 0.00 C ATOM 0 H VAL A 36 2.491 3.387 -7.242 1.00 0.00 H new ATOM 0 HA VAL A 36 2.388 4.797 -4.672 1.00 0.00 H new ATOM 0 HB VAL A 36 3.738 2.153 -5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.558 1.771 -2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.509 3.229 -3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.829 3.383 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.736 1.054 -4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.933 2.636 -4.286 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.362 1.989 -5.887 1.00 0.00 H new ATOM 626 N VAL A 37 4.788 5.514 -4.524 1.00 0.00 N ATOM 627 CA VAL A 37 6.121 6.104 -4.543 1.00 0.00 C ATOM 628 C VAL A 37 7.015 5.476 -3.481 1.00 0.00 C ATOM 629 O VAL A 37 8.204 5.250 -3.708 1.00 0.00 O ATOM 630 CB VAL A 37 6.064 7.627 -4.315 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.464 8.219 -4.312 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.197 8.291 -5.373 1.00 0.00 C ATOM 0 H VAL A 37 4.223 5.775 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 37 6.540 5.907 -5.530 1.00 0.00 H new ATOM 0 HB VAL A 37 5.615 7.815 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.404 9.295 -4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.050 7.764 -3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.944 8.023 -5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.168 9.366 -5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.615 8.096 -6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.186 7.887 -5.321 1.00 0.00 H new ATOM 642 N LYS A 38 6.436 5.194 -2.318 1.00 0.00 N ATOM 643 CA LYS A 38 7.179 4.589 -1.219 1.00 0.00 C ATOM 644 C LYS A 38 6.270 3.710 -0.367 1.00 0.00 C ATOM 645 O LYS A 38 5.085 4.000 -0.203 1.00 0.00 O ATOM 646 CB LYS A 38 7.818 5.674 -0.350 1.00 0.00 C ATOM 647 CG LYS A 38 9.015 6.347 -1.000 1.00 0.00 C ATOM 648 CD LYS A 38 9.868 7.077 0.024 1.00 0.00 C ATOM 649 CE LYS A 38 9.197 8.358 0.497 1.00 0.00 C ATOM 650 NZ LYS A 38 9.565 9.524 -0.353 1.00 0.00 N ATOM 0 H LYS A 38 5.453 5.375 -2.113 1.00 0.00 H new ATOM 0 HA LYS A 38 7.964 3.964 -1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.068 6.430 -0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.130 5.233 0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.620 5.599 -1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.671 7.052 -1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.052 6.425 0.878 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.839 7.313 -0.412 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.115 8.227 0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.482 8.557 1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.088 10.377 0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.595 9.665 -0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.270 9.345 -1.334 1.00 0.00 H new ATOM 664 N VAL A 39 6.832 2.634 0.176 1.00 0.00 N ATOM 665 CA VAL A 39 6.073 1.715 1.014 1.00 0.00 C ATOM 666 C VAL A 39 6.578 1.736 2.452 1.00 0.00 C ATOM 667 O VAL A 39 7.754 2.003 2.705 1.00 0.00 O ATOM 668 CB VAL A 39 6.148 0.273 0.476 1.00 0.00 C ATOM 669 CG1 VAL A 39 5.341 -0.668 1.357 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.663 0.216 -0.964 1.00 0.00 C ATOM 0 H VAL A 39 7.811 2.378 0.050 1.00 0.00 H new ATOM 0 HA VAL A 39 5.036 2.050 0.992 1.00 0.00 H new ATOM 0 HB VAL A 39 7.189 -0.051 0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.406 -1.682 0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.739 -0.648 2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.299 -0.350 1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.723 -0.810 -1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.630 0.559 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.288 0.858 -1.584 1.00 0.00 H new ATOM 680 N THR A 40 5.683 1.453 3.393 1.00 0.00 N ATOM 681 CA THR A 40 6.038 1.440 4.806 1.00 0.00 C ATOM 682 C THR A 40 5.285 0.344 5.552 1.00 0.00 C ATOM 683 O THR A 40 4.135 0.040 5.233 1.00 0.00 O ATOM 684 CB THR A 40 5.739 2.796 5.473 1.00 0.00 C ATOM 685 OG1 THR A 40 6.638 3.794 4.977 1.00 0.00 O ATOM 686 CG2 THR A 40 5.868 2.697 6.985 1.00 0.00 C ATOM 0 H THR A 40 4.706 1.230 3.202 1.00 0.00 H new ATOM 0 HA THR A 40 7.109 1.244 4.861 1.00 0.00 H new ATOM 0 HB THR A 40 4.714 3.077 5.230 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.441 4.654 5.404 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.652 3.667 7.433 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.162 1.958 7.363 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.883 2.395 7.245 1.00 0.00 H new ATOM 694 N ILE A 41 5.941 -0.246 6.546 1.00 0.00 N ATOM 695 CA ILE A 41 5.332 -1.308 7.338 1.00 0.00 C ATOM 696 C ILE A 41 5.607 -1.111 8.825 1.00 0.00 C ATOM 697 O ILE A 41 6.748 -0.895 9.232 1.00 0.00 O ATOM 698 CB ILE A 41 5.848 -2.695 6.911 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.398 -3.014 5.484 1.00 0.00 C ATOM 700 CG2 ILE A 41 5.358 -3.762 7.878 1.00 0.00 C ATOM 701 CD1 ILE A 41 5.969 -4.306 4.945 1.00 0.00 C ATOM 0 H ILE A 41 6.893 -0.007 6.822 1.00 0.00 H new ATOM 0 HA ILE A 41 4.258 -1.259 7.160 1.00 0.00 H new ATOM 0 HB ILE A 41 6.938 -2.684 6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.310 -3.069 5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.691 -2.195 4.828 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.731 -4.737 7.563 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.724 -3.540 8.881 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.268 -3.775 7.884 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.608 -4.468 3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.057 -4.248 4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.654 -5.135 5.579 1.00 0.00 H new ATOM 713 N MET A 42 4.553 -1.188 9.631 1.00 0.00 N ATOM 714 CA MET A 42 4.682 -1.021 11.074 1.00 0.00 C ATOM 715 C MET A 42 5.227 -2.290 11.722 1.00 0.00 C ATOM 716 O MET A 42 5.270 -3.349 11.096 1.00 0.00 O ATOM 717 CB MET A 42 3.329 -0.661 11.690 1.00 0.00 C ATOM 718 CG MET A 42 2.560 0.386 10.899 1.00 0.00 C ATOM 719 SD MET A 42 3.588 1.789 10.424 1.00 0.00 S ATOM 720 CE MET A 42 2.897 3.080 11.455 1.00 0.00 C ATOM 0 H MET A 42 3.601 -1.365 9.310 1.00 0.00 H new ATOM 0 HA MET A 42 5.385 -0.209 11.259 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.723 -1.564 11.768 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.487 -0.295 12.704 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.143 -0.074 10.003 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.719 0.741 11.495 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.810 4.000 10.877 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.910 2.777 11.805 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.550 3.250 12.311 1.00 0.00 H new ATOM 730 N LYS A 43 5.642 -2.176 12.979 1.00 0.00 N ATOM 731 CA LYS A 43 6.183 -3.314 13.712 1.00 0.00 C ATOM 732 C LYS A 43 5.949 -3.156 15.211 1.00 0.00 C ATOM 733 O LYS A 43 6.074 -2.060 15.757 1.00 0.00 O ATOM 734 CB LYS A 43 7.681 -3.462 13.432 1.00 0.00 C ATOM 735 CG LYS A 43 7.993 -4.375 12.260 1.00 0.00 C ATOM 736 CD LYS A 43 9.257 -3.942 11.537 1.00 0.00 C ATOM 737 CE LYS A 43 9.432 -4.689 10.224 1.00 0.00 C ATOM 738 NZ LYS A 43 10.429 -4.027 9.337 1.00 0.00 N ATOM 0 H LYS A 43 5.614 -1.306 13.511 1.00 0.00 H new ATOM 0 HA LYS A 43 5.666 -4.212 13.373 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.105 -2.477 13.237 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.172 -3.849 14.324 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.109 -5.399 12.616 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.155 -4.373 11.563 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.218 -2.870 11.344 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.122 -4.120 12.176 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.750 -5.712 10.428 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.473 -4.750 9.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.519 -4.567 8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.114 -3.060 9.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.351 -3.992 9.817 1.00 0.00 H new ATOM 752 N ASP A 44 5.609 -4.258 15.871 1.00 0.00 N ATOM 753 CA ASP A 44 5.359 -4.243 17.308 1.00 0.00 C ATOM 754 C ASP A 44 6.670 -4.173 18.086 1.00 0.00 C ATOM 755 O ASP A 44 7.744 -4.415 17.537 1.00 0.00 O ATOM 756 CB ASP A 44 4.571 -5.485 17.723 1.00 0.00 C ATOM 757 CG ASP A 44 3.687 -5.234 18.930 1.00 0.00 C ATOM 758 OD1 ASP A 44 3.211 -4.090 19.088 1.00 0.00 O ATOM 759 OD2 ASP A 44 3.472 -6.180 19.716 1.00 0.00 O ATOM 0 H ASP A 44 5.500 -5.173 15.434 1.00 0.00 H new ATOM 0 HA ASP A 44 4.771 -3.355 17.541 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.954 -5.816 16.887 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.266 -6.294 17.947 1.00 0.00 H new ATOM 764 N LYS A 45 6.573 -3.838 19.368 1.00 0.00 N ATOM 765 CA LYS A 45 7.749 -3.736 20.224 1.00 0.00 C ATOM 766 C LYS A 45 7.919 -4.994 21.068 1.00 0.00 C ATOM 767 O LYS A 45 8.946 -5.182 21.721 1.00 0.00 O ATOM 768 CB LYS A 45 7.639 -2.510 21.133 1.00 0.00 C ATOM 769 CG LYS A 45 8.969 -2.063 21.716 1.00 0.00 C ATOM 770 CD LYS A 45 9.842 -1.397 20.666 1.00 0.00 C ATOM 771 CE LYS A 45 9.555 0.093 20.566 1.00 0.00 C ATOM 772 NZ LYS A 45 8.192 0.361 20.030 1.00 0.00 N ATOM 0 H LYS A 45 5.691 -3.632 19.838 1.00 0.00 H new ATOM 0 HA LYS A 45 8.625 -3.629 19.584 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.205 -1.686 20.567 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.951 -2.733 21.949 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.792 -1.369 22.537 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.492 -2.924 22.133 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.892 -1.550 20.914 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.671 -1.867 19.698 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.654 0.549 21.551 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.298 0.563 19.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.173 1.301 19.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.949 -0.362 19.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.501 0.331 20.807 1.00 0.00 H new ATOM 786 N ASP A 46 6.907 -5.854 21.050 1.00 0.00 N ATOM 787 CA ASP A 46 6.945 -7.097 21.812 1.00 0.00 C ATOM 788 C ASP A 46 7.218 -8.287 20.898 1.00 0.00 C ATOM 789 O ASP A 46 8.246 -8.955 21.019 1.00 0.00 O ATOM 790 CB ASP A 46 5.627 -7.303 22.559 1.00 0.00 C ATOM 791 CG ASP A 46 5.589 -6.566 23.883 1.00 0.00 C ATOM 792 OD1 ASP A 46 6.606 -6.597 24.608 1.00 0.00 O ATOM 793 OD2 ASP A 46 4.544 -5.959 24.195 1.00 0.00 O ATOM 0 H ASP A 46 6.050 -5.713 20.516 1.00 0.00 H new ATOM 0 HA ASP A 46 7.756 -7.025 22.536 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.802 -6.963 21.934 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.475 -8.368 22.735 1.00 0.00 H new ATOM 798 N THR A 47 6.290 -8.549 19.983 1.00 0.00 N ATOM 799 CA THR A 47 6.429 -9.660 19.050 1.00 0.00 C ATOM 800 C THR A 47 7.272 -9.262 17.844 1.00 0.00 C ATOM 801 O THR A 47 7.723 -10.117 17.081 1.00 0.00 O ATOM 802 CB THR A 47 5.055 -10.157 18.560 1.00 0.00 C ATOM 803 OG1 THR A 47 4.391 -9.120 17.830 1.00 0.00 O ATOM 804 CG2 THR A 47 4.189 -10.595 19.731 1.00 0.00 C ATOM 0 H THR A 47 5.434 -8.007 19.868 1.00 0.00 H new ATOM 0 HA THR A 47 6.928 -10.466 19.589 1.00 0.00 H new ATOM 0 HB THR A 47 5.215 -11.015 17.907 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.519 -9.444 17.521 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.224 -10.942 19.360 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.684 -11.405 20.267 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.037 -9.753 20.406 1.00 0.00 H new ATOM 812 N ARG A 48 7.483 -7.961 17.678 1.00 0.00 N ATOM 813 CA ARG A 48 8.272 -7.450 16.563 1.00 0.00 C ATOM 814 C ARG A 48 7.730 -7.965 15.233 1.00 0.00 C ATOM 815 O ARG A 48 8.494 -8.319 14.334 1.00 0.00 O ATOM 816 CB ARG A 48 9.738 -7.858 16.721 1.00 0.00 C ATOM 817 CG ARG A 48 10.569 -6.853 17.502 1.00 0.00 C ATOM 818 CD ARG A 48 11.177 -5.801 16.587 1.00 0.00 C ATOM 819 NE ARG A 48 11.767 -4.697 17.339 1.00 0.00 N ATOM 820 CZ ARG A 48 12.183 -3.566 16.780 1.00 0.00 C ATOM 821 NH1 ARG A 48 12.074 -3.392 15.470 1.00 0.00 N ATOM 822 NH2 ARG A 48 12.710 -2.607 17.531 1.00 0.00 N ATOM 0 H ARG A 48 7.119 -7.241 18.302 1.00 0.00 H new ATOM 0 HA ARG A 48 8.201 -6.362 16.567 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.785 -8.824 17.223 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.178 -7.991 15.733 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.944 -6.367 18.252 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.363 -7.374 18.037 1.00 0.00 H new ATOM 0 HD2 ARG A 48 11.941 -6.263 15.961 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.408 -5.414 15.918 1.00 0.00 H new ATOM 0 HE ARG A 48 11.865 -4.800 18.349 1.00 0.00 H new ATOM 0 HH11 ARG A 48 11.670 -4.127 14.890 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.394 -2.523 15.043 1.00 0.00 H new ATOM 0 HH21 ARG A 48 12.796 -2.738 18.539 1.00 0.00 H new ATOM 0 HH22 ARG A 48 13.029 -1.739 17.100 1.00 0.00 H new ATOM 836 N LYS A 49 6.408 -8.003 15.114 1.00 0.00 N ATOM 837 CA LYS A 49 5.762 -8.473 13.894 1.00 0.00 C ATOM 838 C LYS A 49 4.995 -7.343 13.214 1.00 0.00 C ATOM 839 O LYS A 49 4.500 -6.431 13.876 1.00 0.00 O ATOM 840 CB LYS A 49 4.812 -9.631 14.208 1.00 0.00 C ATOM 841 CG LYS A 49 5.491 -10.805 14.893 1.00 0.00 C ATOM 842 CD LYS A 49 6.649 -11.339 14.068 1.00 0.00 C ATOM 843 CE LYS A 49 7.060 -12.732 14.521 1.00 0.00 C ATOM 844 NZ LYS A 49 8.004 -13.370 13.562 1.00 0.00 N ATOM 0 H LYS A 49 5.762 -7.714 15.848 1.00 0.00 H new ATOM 0 HA LYS A 49 6.539 -8.823 13.214 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.006 -9.266 14.844 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.355 -9.977 13.281 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.854 -10.495 15.873 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.764 -11.600 15.059 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.366 -11.366 13.016 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.499 -10.662 14.152 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.527 -12.671 15.504 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.173 -13.356 14.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.260 -14.317 13.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.550 -13.451 12.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.862 -12.788 13.480 1.00 0.00 H new ATOM 858 N SER A 50 4.900 -7.411 11.890 1.00 0.00 N ATOM 859 CA SER A 50 4.195 -6.392 11.121 1.00 0.00 C ATOM 860 C SER A 50 2.714 -6.362 11.488 1.00 0.00 C ATOM 861 O SER A 50 2.109 -5.295 11.591 1.00 0.00 O ATOM 862 CB SER A 50 4.356 -6.652 9.622 1.00 0.00 C ATOM 863 OG SER A 50 3.437 -5.879 8.869 1.00 0.00 O ATOM 0 H SER A 50 5.302 -8.161 11.328 1.00 0.00 H new ATOM 0 HA SER A 50 4.631 -5.423 11.363 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.374 -6.413 9.315 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.201 -7.711 9.415 1.00 0.00 H new ATOM 0 HG SER A 50 3.561 -6.062 7.914 1.00 0.00 H new ATOM 869 N LYS A 51 2.136 -7.542 11.685 1.00 0.00 N ATOM 870 CA LYS A 51 0.727 -7.655 12.041 1.00 0.00 C ATOM 871 C LYS A 51 -0.157 -7.023 10.971 1.00 0.00 C ATOM 872 O LYS A 51 -1.279 -6.601 11.248 1.00 0.00 O ATOM 873 CB LYS A 51 0.467 -6.985 13.393 1.00 0.00 C ATOM 874 CG LYS A 51 1.389 -7.468 14.498 1.00 0.00 C ATOM 875 CD LYS A 51 1.006 -6.874 15.843 1.00 0.00 C ATOM 876 CE LYS A 51 -0.398 -7.289 16.256 1.00 0.00 C ATOM 877 NZ LYS A 51 -0.564 -7.285 17.736 1.00 0.00 N ATOM 0 H LYS A 51 2.623 -8.435 11.604 1.00 0.00 H new ATOM 0 HA LYS A 51 0.480 -8.714 12.113 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.580 -5.907 13.282 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.566 -7.169 13.687 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.351 -8.556 14.555 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.418 -7.197 14.259 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.720 -7.197 16.601 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.065 -5.787 15.792 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.124 -6.611 15.807 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.611 -8.286 15.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.534 -7.573 17.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.111 -7.951 18.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.386 -6.328 18.103 1.00 0.00 H new ATOM 891 N GLY A 52 0.356 -6.962 9.745 1.00 0.00 N ATOM 892 CA GLY A 52 -0.401 -6.382 8.652 1.00 0.00 C ATOM 893 C GLY A 52 -0.339 -4.867 8.643 1.00 0.00 C ATOM 894 O GLY A 52 -0.280 -4.247 7.581 1.00 0.00 O ATOM 0 H GLY A 52 1.282 -7.304 9.490 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.018 -6.764 7.706 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.441 -6.700 8.726 1.00 0.00 H new ATOM 898 N VAL A 53 -0.354 -4.269 9.830 1.00 0.00 N ATOM 899 CA VAL A 53 -0.300 -2.818 9.955 1.00 0.00 C ATOM 900 C VAL A 53 0.812 -2.233 9.091 1.00 0.00 C ATOM 901 O VAL A 53 1.976 -2.212 9.489 1.00 0.00 O ATOM 902 CB VAL A 53 -0.077 -2.388 11.418 1.00 0.00 C ATOM 903 CG1 VAL A 53 -0.441 -0.923 11.605 1.00 0.00 C ATOM 904 CG2 VAL A 53 -0.882 -3.271 12.360 1.00 0.00 C ATOM 0 H VAL A 53 -0.403 -4.767 10.719 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.262 -2.435 9.614 1.00 0.00 H new ATOM 0 HB VAL A 53 0.979 -2.508 11.658 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.277 -0.637 12.644 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.183 -0.308 10.957 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.490 -0.773 11.348 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.713 -2.954 13.389 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.942 -3.184 12.123 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.568 -4.308 12.244 1.00 0.00 H new ATOM 914 N ALA A 54 0.443 -1.758 7.905 1.00 0.00 N ATOM 915 CA ALA A 54 1.409 -1.170 6.985 1.00 0.00 C ATOM 916 C ALA A 54 0.892 0.146 6.414 1.00 0.00 C ATOM 917 O ALA A 54 -0.317 0.354 6.303 1.00 0.00 O ATOM 918 CB ALA A 54 1.728 -2.145 5.861 1.00 0.00 C ATOM 0 H ALA A 54 -0.517 -1.769 7.560 1.00 0.00 H new ATOM 0 HA ALA A 54 2.323 -0.961 7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.450 -1.693 5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.147 -3.059 6.281 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.815 -2.382 5.315 1.00 0.00 H new ATOM 924 N PHE A 55 1.814 1.033 6.054 1.00 0.00 N ATOM 925 CA PHE A 55 1.451 2.330 5.496 1.00 0.00 C ATOM 926 C PHE A 55 1.869 2.428 4.032 1.00 0.00 C ATOM 927 O PHE A 55 3.004 2.111 3.676 1.00 0.00 O ATOM 928 CB PHE A 55 2.104 3.456 6.301 1.00 0.00 C ATOM 929 CG PHE A 55 1.480 3.668 7.650 1.00 0.00 C ATOM 930 CD1 PHE A 55 1.289 2.602 8.515 1.00 0.00 C ATOM 931 CD2 PHE A 55 1.084 4.932 8.054 1.00 0.00 C ATOM 932 CE1 PHE A 55 0.715 2.793 9.758 1.00 0.00 C ATOM 933 CE2 PHE A 55 0.510 5.130 9.296 1.00 0.00 C ATOM 934 CZ PHE A 55 0.324 4.059 10.148 1.00 0.00 C ATOM 0 H PHE A 55 2.818 0.877 6.139 1.00 0.00 H new ATOM 0 HA PHE A 55 0.367 2.432 5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.163 3.232 6.430 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.041 4.383 5.731 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.592 1.610 8.214 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.225 5.773 7.391 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.573 1.954 10.423 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.207 6.121 9.600 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.126 4.211 11.118 1.00 0.00 H new ATOM 944 N ILE A 56 0.943 2.870 3.187 1.00 0.00 N ATOM 945 CA ILE A 56 1.214 3.011 1.762 1.00 0.00 C ATOM 946 C ILE A 56 1.234 4.478 1.349 1.00 0.00 C ATOM 947 O ILE A 56 0.303 5.230 1.641 1.00 0.00 O ATOM 948 CB ILE A 56 0.168 2.264 0.913 1.00 0.00 C ATOM 949 CG1 ILE A 56 0.042 0.812 1.380 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.542 2.322 -0.560 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.267 -0.025 1.085 1.00 0.00 C ATOM 0 H ILE A 56 -0.001 3.137 3.465 1.00 0.00 H new ATOM 0 HA ILE A 56 2.196 2.572 1.583 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.798 2.752 1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.147 0.799 2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.824 0.357 0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.207 1.790 -1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.585 3.362 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.516 1.856 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.108 -1.042 1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.445 -0.043 0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.132 0.406 1.589 1.00 0.00 H new ATOM 963 N LEU A 57 2.300 4.880 0.665 1.00 0.00 N ATOM 964 CA LEU A 57 2.442 6.258 0.209 1.00 0.00 C ATOM 965 C LEU A 57 2.164 6.368 -1.287 1.00 0.00 C ATOM 966 O LEU A 57 2.741 5.636 -2.092 1.00 0.00 O ATOM 967 CB LEU A 57 3.848 6.776 0.517 1.00 0.00 C ATOM 968 CG LEU A 57 4.009 8.296 0.557 1.00 0.00 C ATOM 969 CD1 LEU A 57 5.361 8.674 1.141 1.00 0.00 C ATOM 970 CD2 LEU A 57 3.844 8.887 -0.836 1.00 0.00 C ATOM 0 H LEU A 57 3.079 4.271 0.414 1.00 0.00 H new ATOM 0 HA LEU A 57 1.712 6.868 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.159 6.372 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.533 6.378 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 57 3.230 8.708 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.458 9.759 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.441 8.283 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.155 8.251 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.962 9.970 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.600 8.469 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.852 8.646 -1.218 1.00 0.00 H new ATOM 982 N PHE A 58 1.277 7.288 -1.653 1.00 0.00 N ATOM 983 CA PHE A 58 0.923 7.494 -3.052 1.00 0.00 C ATOM 984 C PHE A 58 1.452 8.834 -3.555 1.00 0.00 C ATOM 985 O PHE A 58 1.693 9.753 -2.771 1.00 0.00 O ATOM 986 CB PHE A 58 -0.595 7.433 -3.231 1.00 0.00 C ATOM 987 CG PHE A 58 -1.165 6.055 -3.047 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.041 5.396 -1.835 1.00 0.00 C ATOM 989 CD2 PHE A 58 -1.826 5.420 -4.086 1.00 0.00 C ATOM 990 CE1 PHE A 58 -1.563 4.128 -1.664 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.351 4.153 -3.921 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.221 3.506 -2.707 1.00 0.00 C ATOM 0 H PHE A 58 0.791 7.902 -1.000 1.00 0.00 H new ATOM 0 HA PHE A 58 1.383 6.698 -3.638 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.065 8.110 -2.517 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.850 7.793 -4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.531 5.879 -1.015 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.932 5.922 -5.036 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.456 3.623 -0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.862 3.669 -4.740 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.633 2.517 -2.574 1.00 0.00 H new ATOM 1002 N LEU A 59 1.631 8.938 -4.867 1.00 0.00 N ATOM 1003 CA LEU A 59 2.132 10.166 -5.476 1.00 0.00 C ATOM 1004 C LEU A 59 1.273 11.361 -5.078 1.00 0.00 C ATOM 1005 O LEU A 59 1.791 12.415 -4.708 1.00 0.00 O ATOM 1006 CB LEU A 59 2.160 10.028 -6.999 1.00 0.00 C ATOM 1007 CG LEU A 59 2.938 11.104 -7.756 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.422 11.019 -7.431 1.00 0.00 C ATOM 1009 CD2 LEU A 59 2.711 10.972 -9.255 1.00 0.00 C ATOM 0 H LEU A 59 1.437 8.187 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 59 3.146 10.335 -5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.587 9.056 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.132 10.027 -7.363 1.00 0.00 H new ATOM 0 HG LEU A 59 2.572 12.080 -7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.959 11.793 -7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.569 11.164 -6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.802 10.039 -7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.273 11.746 -9.778 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.048 9.991 -9.589 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.649 11.084 -9.473 1.00 0.00 H new ATOM 1021 N ASP A 60 -0.042 11.189 -5.154 1.00 0.00 N ATOM 1022 CA ASP A 60 -0.974 12.253 -4.798 1.00 0.00 C ATOM 1023 C ASP A 60 -2.057 11.735 -3.857 1.00 0.00 C ATOM 1024 O ASP A 60 -2.676 10.702 -4.114 1.00 0.00 O ATOM 1025 CB ASP A 60 -1.614 12.842 -6.057 1.00 0.00 C ATOM 1026 CG ASP A 60 -2.724 13.824 -5.737 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -3.040 13.992 -4.541 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -3.276 14.424 -6.683 1.00 0.00 O ATOM 0 H ASP A 60 -0.487 10.323 -5.459 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.415 13.035 -4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.849 13.344 -6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.013 12.034 -6.670 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.281 12.458 -2.765 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.289 12.072 -1.785 1.00 0.00 C ATOM 1035 C LYS A 61 -4.598 11.696 -2.470 1.00 0.00 C ATOM 1036 O LYS A 61 -5.232 10.702 -2.115 1.00 0.00 O ATOM 1037 CB LYS A 61 -3.529 13.214 -0.794 1.00 0.00 C ATOM 1038 CG LYS A 61 -3.966 14.510 -1.454 1.00 0.00 C ATOM 1039 CD LYS A 61 -4.427 15.531 -0.426 1.00 0.00 C ATOM 1040 CE LYS A 61 -3.266 16.372 0.082 1.00 0.00 C ATOM 1041 NZ LYS A 61 -2.865 17.415 -0.903 1.00 0.00 N ATOM 0 H LYS A 61 -1.778 13.315 -2.536 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.920 11.201 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.290 12.907 -0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.613 13.394 -0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.139 14.922 -2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.775 14.307 -2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.182 16.180 -0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.900 15.018 0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.546 16.848 1.022 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.414 15.726 0.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.848 17.612 -0.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.062 17.077 -1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.405 18.286 -0.725 1.00 0.00 H new ATOM 1055 N ASP A 62 -4.997 12.495 -3.453 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.230 12.245 -4.190 1.00 0.00 C ATOM 1057 C ASP A 62 -6.396 10.756 -4.481 1.00 0.00 C ATOM 1058 O ASP A 62 -7.491 10.208 -4.355 1.00 0.00 O ATOM 1059 CB ASP A 62 -6.238 13.036 -5.499 1.00 0.00 C ATOM 1060 CG ASP A 62 -6.240 14.535 -5.269 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -5.318 15.033 -4.589 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -7.164 15.210 -5.769 1.00 0.00 O ATOM 0 H ASP A 62 -4.484 13.322 -3.758 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.066 12.573 -3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.364 12.763 -6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.116 12.759 -6.082 1.00 0.00 H new ATOM 1067 N SER A 63 -5.303 10.109 -4.871 1.00 0.00 N ATOM 1068 CA SER A 63 -5.329 8.685 -5.184 1.00 0.00 C ATOM 1069 C SER A 63 -5.421 7.850 -3.911 1.00 0.00 C ATOM 1070 O SER A 63 -6.223 6.921 -3.822 1.00 0.00 O ATOM 1071 CB SER A 63 -4.079 8.293 -5.975 1.00 0.00 C ATOM 1072 OG SER A 63 -2.970 8.100 -5.114 1.00 0.00 O ATOM 0 H SER A 63 -4.388 10.548 -4.978 1.00 0.00 H new ATOM 0 HA SER A 63 -6.212 8.488 -5.791 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.272 7.378 -6.536 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.847 9.070 -6.703 1.00 0.00 H new ATOM 0 HG SER A 63 -2.741 8.948 -4.680 1.00 0.00 H new ATOM 1078 N ALA A 64 -4.594 8.189 -2.927 1.00 0.00 N ATOM 1079 CA ALA A 64 -4.583 7.473 -1.658 1.00 0.00 C ATOM 1080 C ALA A 64 -5.995 7.320 -1.101 1.00 0.00 C ATOM 1081 O ALA A 64 -6.414 6.220 -0.743 1.00 0.00 O ATOM 1082 CB ALA A 64 -3.693 8.191 -0.654 1.00 0.00 C ATOM 0 H ALA A 64 -3.923 8.955 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.181 6.476 -1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.694 7.645 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.676 8.243 -1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.071 9.200 -0.489 1.00 0.00 H new ATOM 1088 N GLN A 65 -6.722 8.430 -1.032 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.086 8.418 -0.518 1.00 0.00 C ATOM 1090 C GLN A 65 -8.908 7.316 -1.179 1.00 0.00 C ATOM 1091 O GLN A 65 -9.424 6.425 -0.505 1.00 0.00 O ATOM 1092 CB GLN A 65 -8.753 9.775 -0.749 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.230 10.873 0.164 1.00 0.00 C ATOM 1094 CD GLN A 65 -8.824 12.231 -0.158 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -10.038 12.422 -0.091 1.00 0.00 O ATOM 1096 NE2 GLN A 65 -7.967 13.183 -0.509 1.00 0.00 N ATOM 0 H GLN A 65 -6.390 9.349 -1.325 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.041 8.220 0.553 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.601 10.073 -1.786 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.828 9.672 -0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.456 10.618 1.199 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.145 10.926 0.078 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.968 12.980 -0.551 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.308 14.117 -0.736 1.00 0.00 H new ATOM 1105 N ASN A 66 -9.024 7.383 -2.501 1.00 0.00 N ATOM 1106 CA ASN A 66 -9.784 6.391 -3.253 1.00 0.00 C ATOM 1107 C ASN A 66 -9.582 4.995 -2.670 1.00 0.00 C ATOM 1108 O ASN A 66 -10.544 4.324 -2.294 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.366 6.407 -4.725 1.00 0.00 C ATOM 1110 CG ASN A 66 -10.027 5.301 -5.525 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -11.182 4.949 -5.283 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -9.294 4.746 -6.483 1.00 0.00 N ATOM 0 H ASN A 66 -8.602 8.114 -3.074 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.841 6.647 -3.180 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.623 7.372 -5.163 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.283 6.304 -4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.684 3.996 -7.054 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.341 5.070 -6.648 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.327 4.567 -2.598 1.00 0.00 N ATOM 1120 CA CYS A 67 -7.999 3.251 -2.061 1.00 0.00 C ATOM 1121 C CYS A 67 -8.594 3.068 -0.668 1.00 0.00 C ATOM 1122 O CYS A 67 -8.980 1.962 -0.286 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.482 3.062 -2.009 1.00 0.00 C ATOM 1124 SG CYS A 67 -5.946 1.667 -0.992 1.00 0.00 S ATOM 0 H CYS A 67 -7.520 5.111 -2.904 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.429 2.499 -2.722 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.109 2.922 -3.024 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.026 3.974 -1.625 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.886 0.594 -1.724 1.00 0.00 H new ATOM 1130 N THR A 68 -8.663 4.159 0.088 1.00 0.00 N ATOM 1131 CA THR A 68 -9.208 4.118 1.439 1.00 0.00 C ATOM 1132 C THR A 68 -10.708 3.846 1.419 1.00 0.00 C ATOM 1133 O THR A 68 -11.343 3.743 2.469 1.00 0.00 O ATOM 1134 CB THR A 68 -8.948 5.438 2.189 1.00 0.00 C ATOM 1135 OG1 THR A 68 -7.655 5.950 1.846 1.00 0.00 O ATOM 1136 CG2 THR A 68 -9.033 5.231 3.694 1.00 0.00 C ATOM 0 H THR A 68 -8.348 5.082 -0.212 1.00 0.00 H new ATOM 0 HA THR A 68 -8.701 3.306 1.960 1.00 0.00 H new ATOM 0 HB THR A 68 -9.713 6.155 1.892 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.057 5.872 2.618 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.846 6.177 4.202 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.027 4.869 3.956 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.287 4.499 4.003 1.00 0.00 H new ATOM 1144 N ARG A 69 -11.268 3.729 0.220 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.694 3.469 0.064 1.00 0.00 C ATOM 1146 C ARG A 69 -12.929 2.130 -0.628 1.00 0.00 C ATOM 1147 O ARG A 69 -14.012 1.553 -0.533 1.00 0.00 O ATOM 1148 CB ARG A 69 -13.354 4.592 -0.737 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.873 4.544 -0.714 1.00 0.00 C ATOM 1150 CD ARG A 69 -15.479 5.663 -1.548 1.00 0.00 C ATOM 1151 NE ARG A 69 -16.892 5.430 -1.833 1.00 0.00 N ATOM 1152 CZ ARG A 69 -17.701 6.353 -2.341 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -17.239 7.564 -2.619 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -18.976 6.065 -2.572 1.00 0.00 N ATOM 0 H ARG A 69 -10.756 3.810 -0.658 1.00 0.00 H new ATOM 0 HA ARG A 69 -13.142 3.429 1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.023 5.552 -0.341 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.013 4.539 -1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -15.213 3.581 -1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.225 4.624 0.314 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.367 6.610 -1.020 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.930 5.754 -2.485 1.00 0.00 H new ATOM 0 HE ARG A 69 -17.279 4.508 -1.631 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.260 7.789 -2.443 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.863 8.271 -3.009 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -19.335 5.134 -2.359 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -19.597 6.774 -2.962 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.908 1.642 -1.325 1.00 0.00 N ATOM 1169 CA ALA A 70 -12.003 0.371 -2.031 1.00 0.00 C ATOM 1170 C ALA A 70 -11.806 -0.804 -1.079 1.00 0.00 C ATOM 1171 O ALA A 70 -12.626 -1.722 -1.032 1.00 0.00 O ATOM 1172 CB ALA A 70 -10.983 0.315 -3.158 1.00 0.00 C ATOM 0 H ALA A 70 -11.005 2.108 -1.416 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.004 0.296 -2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.066 -0.640 -3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.172 1.127 -3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.979 0.418 -2.746 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.715 -0.768 -0.321 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.411 -1.829 0.631 1.00 0.00 C ATOM 1180 C ILE A 71 -11.127 -1.599 1.957 1.00 0.00 C ATOM 1181 O ILE A 71 -11.563 -2.546 2.611 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.897 -1.937 0.889 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.424 -0.779 1.771 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -8.135 -1.954 -0.427 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.967 -0.876 2.164 1.00 0.00 C ATOM 0 H ILE A 71 -10.027 -0.015 -0.348 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.763 -2.761 0.188 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.698 -2.872 1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.588 0.160 1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.034 -0.747 2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.066 -2.031 -0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.455 -2.809 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.337 -1.034 -0.976 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.701 -0.023 2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.801 -1.798 2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.348 -0.877 1.267 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.246 -0.334 2.348 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.910 0.021 3.597 1.00 0.00 C ATOM 1199 C ASN A 72 -13.198 -0.778 3.774 1.00 0.00 C ATOM 1200 O ASN A 72 -14.103 -0.707 2.944 1.00 0.00 O ATOM 1201 CB ASN A 72 -12.218 1.519 3.626 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.293 1.869 4.637 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -14.439 1.435 4.516 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -12.928 2.657 5.641 1.00 0.00 N ATOM 0 H ASN A 72 -10.891 0.462 1.818 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.237 -0.221 4.420 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.308 2.070 3.862 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.537 1.841 2.635 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.608 2.926 6.352 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.967 2.994 5.702 1.00 0.00 H new ATOM 1211 N ASN A 73 -13.271 -1.537 4.862 1.00 0.00 N ATOM 1212 CA ASN A 73 -14.448 -2.350 5.149 1.00 0.00 C ATOM 1213 C ASN A 73 -14.601 -3.467 4.122 1.00 0.00 C ATOM 1214 O ASN A 73 -15.708 -3.768 3.676 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.705 -1.478 5.162 1.00 0.00 C ATOM 1216 CG ASN A 73 -16.828 -2.093 5.974 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -17.619 -2.884 5.461 1.00 0.00 O ATOM 1218 ND2 ASN A 73 -16.902 -1.732 7.250 1.00 0.00 N ATOM 0 H ASN A 73 -12.530 -1.606 5.559 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.316 -2.801 6.133 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.459 -0.498 5.571 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.045 -1.320 4.138 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.636 -2.114 7.846 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -16.225 -1.073 7.634 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.482 -4.080 3.752 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.489 -5.166 2.779 1.00 0.00 C ATOM 1227 C LYS A 74 -12.598 -6.315 3.239 1.00 0.00 C ATOM 1228 O LYS A 74 -11.630 -6.106 3.970 1.00 0.00 O ATOM 1229 CB LYS A 74 -13.021 -4.658 1.413 1.00 0.00 C ATOM 1230 CG LYS A 74 -13.308 -5.622 0.275 1.00 0.00 C ATOM 1231 CD LYS A 74 -14.754 -5.529 -0.184 1.00 0.00 C ATOM 1232 CE LYS A 74 -14.996 -4.276 -1.012 1.00 0.00 C ATOM 1233 NZ LYS A 74 -16.303 -4.326 -1.724 1.00 0.00 N ATOM 0 H LYS A 74 -12.557 -3.843 4.112 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.511 -5.535 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.508 -3.706 1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.949 -4.466 1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.645 -5.405 -0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.092 -6.641 0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.007 -6.410 -0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.413 -5.526 0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.969 -3.401 -0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.191 -4.159 -1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.431 -3.454 -2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -16.319 -5.147 -2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -17.073 -4.412 -1.030 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.930 -7.526 2.804 1.00 0.00 N ATOM 1248 CA GLN A 75 -12.157 -8.707 3.172 1.00 0.00 C ATOM 1249 C GLN A 75 -11.148 -9.058 2.084 1.00 0.00 C ATOM 1250 O GLN A 75 -11.517 -9.302 0.934 1.00 0.00 O ATOM 1251 CB GLN A 75 -13.089 -9.895 3.421 1.00 0.00 C ATOM 1252 CG GLN A 75 -14.191 -9.603 4.427 1.00 0.00 C ATOM 1253 CD GLN A 75 -15.372 -10.543 4.288 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -15.758 -10.914 3.179 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -15.953 -10.934 5.416 1.00 0.00 N ATOM 0 H GLN A 75 -13.728 -7.715 2.197 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.612 -8.482 4.089 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.541 -10.196 2.476 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.500 -10.741 3.775 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.786 -9.681 5.436 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.532 -8.576 4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.600 -10.602 6.313 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.752 -11.567 5.385 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.872 -9.081 2.453 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.808 -9.401 1.508 1.00 0.00 C ATOM 1266 C LEU A 76 -7.902 -10.498 2.059 1.00 0.00 C ATOM 1267 O LEU A 76 -7.559 -10.498 3.241 1.00 0.00 O ATOM 1268 CB LEU A 76 -7.982 -8.152 1.196 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.612 -7.158 0.220 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.697 -6.345 0.910 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.549 -6.241 -0.368 1.00 0.00 C ATOM 0 H LEU A 76 -9.549 -8.882 3.400 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.270 -9.763 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.778 -7.632 2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.021 -8.468 0.791 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.070 -7.720 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.133 -5.643 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.473 -7.015 1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.263 -5.794 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.016 -5.540 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.061 -5.688 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.808 -6.837 -0.900 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.517 -11.431 1.194 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.650 -12.533 1.593 1.00 0.00 C ATOM 1285 C PHE A 77 -7.200 -13.235 2.832 1.00 0.00 C ATOM 1286 O PHE A 77 -6.442 -13.719 3.671 1.00 0.00 O ATOM 1287 CB PHE A 77 -5.235 -12.022 1.869 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.494 -11.612 0.628 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.853 -10.465 -0.062 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.438 -12.372 0.152 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -4.174 -10.086 -1.204 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -2.754 -11.997 -0.989 1.00 0.00 C ATOM 1293 CZ PHE A 77 -3.122 -10.852 -1.667 1.00 0.00 C ATOM 0 H PHE A 77 -7.792 -11.445 0.212 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.616 -13.251 0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.290 -11.171 2.548 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.669 -12.801 2.380 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.673 -9.861 0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.146 -13.268 0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.466 -9.191 -1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.933 -12.599 -1.350 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.588 -10.556 -2.558 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.524 -13.286 2.937 1.00 0.00 N ATOM 1304 CA GLY A 78 -9.153 -13.930 4.076 1.00 0.00 C ATOM 1305 C GLY A 78 -8.858 -13.218 5.381 1.00 0.00 C ATOM 1306 O GLY A 78 -8.606 -13.858 6.402 1.00 0.00 O ATOM 0 H GLY A 78 -9.172 -12.893 2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.231 -13.964 3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.808 -14.962 4.143 1.00 0.00 H new ATOM 1310 N ARG A 79 -8.888 -11.890 5.348 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.619 -11.090 6.537 1.00 0.00 C ATOM 1312 C ARG A 79 -9.127 -9.662 6.359 1.00 0.00 C ATOM 1313 O ARG A 79 -8.590 -8.896 5.559 1.00 0.00 O ATOM 1314 CB ARG A 79 -7.119 -11.074 6.838 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.248 -11.056 5.593 1.00 0.00 C ATOM 1316 CD ARG A 79 -4.799 -11.381 5.922 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.593 -12.812 6.130 1.00 0.00 N ATOM 1318 CZ ARG A 79 -3.531 -13.319 6.748 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -2.586 -12.516 7.215 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -3.415 -14.633 6.899 1.00 0.00 N ATOM 0 H ARG A 79 -9.096 -11.345 4.511 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.147 -11.543 7.376 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.888 -10.199 7.445 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.867 -11.951 7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.629 -11.778 4.871 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.304 -10.074 5.123 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.157 -11.036 5.111 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.500 -10.838 6.818 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.302 -13.457 5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.672 -11.506 7.101 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.772 -12.908 7.689 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.141 -15.254 6.541 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.600 -15.022 7.373 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.167 -9.312 7.109 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.749 -7.977 7.034 1.00 0.00 C ATOM 1336 C VAL A 80 -9.672 -6.902 7.136 1.00 0.00 C ATOM 1337 O VAL A 80 -8.985 -6.793 8.152 1.00 0.00 O ATOM 1338 CB VAL A 80 -11.788 -7.754 8.149 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.415 -6.374 8.026 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -12.854 -8.838 8.107 1.00 0.00 C ATOM 0 H VAL A 80 -10.624 -9.934 7.776 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.244 -7.901 6.066 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.281 -7.812 9.112 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.146 -6.234 8.822 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.639 -5.613 8.109 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.910 -6.284 7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.580 -8.665 8.901 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.360 -8.814 7.142 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.387 -9.813 8.248 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.531 -6.112 6.078 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.538 -5.044 6.049 1.00 0.00 C ATOM 1352 C ILE A 81 -9.166 -3.700 6.401 1.00 0.00 C ATOM 1353 O ILE A 81 -10.296 -3.408 6.007 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.866 -4.938 4.667 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -7.103 -6.225 4.347 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -6.932 -3.738 4.624 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -6.063 -6.057 3.261 1.00 0.00 C ATOM 0 H ILE A 81 -10.091 -6.190 5.229 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.782 -5.295 6.793 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.640 -4.799 3.912 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.615 -6.584 5.253 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.814 -6.993 4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.464 -3.676 3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.500 -2.827 4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.161 -3.850 5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.562 -7.009 3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.547 -5.728 2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.330 -5.312 3.571 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.427 -2.884 7.144 1.00 0.00 N ATOM 1370 CA LYS A 82 -8.908 -1.568 7.547 1.00 0.00 C ATOM 1371 C LYS A 82 -8.082 -0.464 6.896 1.00 0.00 C ATOM 1372 O LYS A 82 -6.853 -0.497 6.923 1.00 0.00 O ATOM 1373 CB LYS A 82 -8.856 -1.428 9.070 1.00 0.00 C ATOM 1374 CG LYS A 82 -9.504 -2.586 9.810 1.00 0.00 C ATOM 1375 CD LYS A 82 -11.011 -2.600 9.613 1.00 0.00 C ATOM 1376 CE LYS A 82 -11.695 -3.522 10.610 1.00 0.00 C ATOM 1377 NZ LYS A 82 -12.056 -2.810 11.867 1.00 0.00 N ATOM 0 H LYS A 82 -7.491 -3.111 7.480 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.941 -1.469 7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.815 -1.344 9.383 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.351 -0.501 9.358 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.081 -3.527 9.457 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.276 -2.513 10.873 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.403 -1.589 9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.243 -2.923 8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.594 -3.941 10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.036 -4.358 10.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.520 -3.473 12.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.195 -2.432 12.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.705 -2.028 11.649 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.767 0.515 6.313 1.00 0.00 N ATOM 1392 CA ALA A 83 -8.096 1.632 5.658 1.00 0.00 C ATOM 1393 C ALA A 83 -8.564 2.965 6.231 1.00 0.00 C ATOM 1394 O ALA A 83 -9.762 3.195 6.394 1.00 0.00 O ATOM 1395 CB ALA A 83 -8.338 1.586 4.157 1.00 0.00 C ATOM 0 H ALA A 83 -9.786 0.557 6.281 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.026 1.542 5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.831 2.426 3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.948 0.651 3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.408 1.648 3.959 1.00 0.00 H new ATOM 1401 N SER A 84 -7.611 3.840 6.536 1.00 0.00 N ATOM 1402 CA SER A 84 -7.926 5.150 7.095 1.00 0.00 C ATOM 1403 C SER A 84 -6.800 6.142 6.821 1.00 0.00 C ATOM 1404 O SER A 84 -5.625 5.836 7.026 1.00 0.00 O ATOM 1405 CB SER A 84 -8.169 5.039 8.601 1.00 0.00 C ATOM 1406 OG SER A 84 -7.372 4.016 9.173 1.00 0.00 O ATOM 0 H SER A 84 -6.615 3.666 6.406 1.00 0.00 H new ATOM 0 HA SER A 84 -8.833 5.515 6.614 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.942 5.991 9.080 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.222 4.831 8.788 1.00 0.00 H new ATOM 0 HG SER A 84 -7.545 3.967 10.136 1.00 0.00 H new ATOM 1412 N ILE A 85 -7.169 7.332 6.357 1.00 0.00 N ATOM 1413 CA ILE A 85 -6.191 8.370 6.056 1.00 0.00 C ATOM 1414 C ILE A 85 -5.325 8.679 7.273 1.00 0.00 C ATOM 1415 O ILE A 85 -5.835 9.009 8.343 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.874 9.667 5.584 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.720 9.399 4.338 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.834 10.741 5.304 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -6.925 8.852 3.173 1.00 0.00 C ATOM 0 H ILE A 85 -8.137 7.601 6.182 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.562 7.987 5.253 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.532 10.024 6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.511 8.693 4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.206 10.326 4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.332 11.652 4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.270 10.947 6.214 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.154 10.395 4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.589 8.686 2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.151 9.567 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.461 7.908 3.460 1.00 0.00 H new ATOM 1431 N ALA A 86 -4.011 8.571 7.100 1.00 0.00 N ATOM 1432 CA ALA A 86 -3.074 8.842 8.182 1.00 0.00 C ATOM 1433 C ALA A 86 -2.692 10.318 8.221 1.00 0.00 C ATOM 1434 O ALA A 86 -1.970 10.805 7.350 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.831 7.977 8.033 1.00 0.00 C ATOM 0 H ALA A 86 -3.572 8.298 6.221 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.564 8.596 9.124 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.140 8.190 8.848 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.114 6.925 8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.348 8.196 7.081 1.00 0.00 H new ATOM 1441 N ILE A 87 -3.182 11.025 9.234 1.00 0.00 N ATOM 1442 CA ILE A 87 -2.891 12.445 9.385 1.00 0.00 C ATOM 1443 C ILE A 87 -2.337 12.748 10.773 1.00 0.00 C ATOM 1444 O ILE A 87 -2.437 11.928 11.686 1.00 0.00 O ATOM 1445 CB ILE A 87 -4.146 13.305 9.147 1.00 0.00 C ATOM 1446 CG1 ILE A 87 -5.284 12.851 10.065 1.00 0.00 C ATOM 1447 CG2 ILE A 87 -4.572 13.227 7.688 1.00 0.00 C ATOM 1448 CD1 ILE A 87 -6.256 13.956 10.413 1.00 0.00 C ATOM 0 H ILE A 87 -3.782 10.637 9.962 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.141 12.695 8.634 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.908 14.343 9.381 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.827 12.039 9.582 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.860 12.448 10.985 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -5.460 13.840 7.535 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.765 13.593 7.053 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.796 12.192 7.429 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.035 13.563 11.066 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.726 14.759 10.924 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.709 14.343 9.500 1.00 0.00 H new TER 1460 ILE A 87