USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 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 87 THR OG1 : rot 70:sc= -0.0881 USER MOD Set 1.2: A 92 TYR OH : rot 130:sc= -0.188 USER MOD Set 2.1: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -170:sc= -1.75 USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.176) USER MOD Single : A 12 SER OG : rot -112:sc= -2.05! USER MOD Single : A 13 ASN :FLIP amide:sc= -0.148 F(o=-0.75,f=-0.15) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.237 K(o=-0.24,f=-1.6) USER MOD Single : A 23 TYR OH : rot 169:sc= 0.952 USER MOD Single : A 27 THR OG1 : rot -160:sc= -0.973 USER MOD Single : A 36 HIS : no HD1:sc=-0.00336 X(o=-0.0034,f=-0.016) USER MOD Single : A 38 SER OG : rot -73:sc= 1.11 USER MOD Single : A 44 MET CE :methyl -151:sc= -2.07 (180deg=-5.35!) USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.000838 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00114 USER MOD Single : A 56 SER OG : rot -57:sc= 1.3 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -2.59! C(o=-2.6!,f=-2.2!) USER MOD Single : A 70 THR OG1 : rot 60:sc= 0.227 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -132:sc= 0 (180deg=-0.0085) USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0106) USER MOD Single : A 76 ASN : amide:sc= -2.76 K(o=-2.8,f=-6.1!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 3 4.147 14.475 29.261 1.00 0.00 N ATOM 34 CA LYS A 3 5.241 13.809 29.959 1.00 0.00 C ATOM 35 C LYS A 3 6.438 14.742 30.095 1.00 0.00 C ATOM 36 O LYS A 3 7.307 14.780 29.224 1.00 0.00 O ATOM 37 CB LYS A 3 5.651 12.551 29.198 1.00 0.00 C ATOM 38 CG LYS A 3 4.888 11.326 29.697 1.00 0.00 C ATOM 39 CD LYS A 3 5.302 10.958 31.118 1.00 0.00 C ATOM 40 CE LYS A 3 5.214 9.452 31.349 1.00 0.00 C ATOM 41 NZ LYS A 3 6.472 8.921 31.945 1.00 0.00 N ATOM 0 HA LYS A 3 4.899 13.534 30.957 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.463 12.690 28.133 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.722 12.387 29.314 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.817 11.525 29.668 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.074 10.483 29.032 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.322 11.297 31.301 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.661 11.476 31.831 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.375 9.232 32.009 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.016 8.948 30.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.381 7.895 32.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.268 9.111 31.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.646 9.386 32.859 1.00 0.00 H new ATOM 55 N VAL A 4 6.485 15.486 31.195 1.00 0.00 N ATOM 56 CA VAL A 4 7.587 16.410 31.444 1.00 0.00 C ATOM 57 C VAL A 4 8.366 15.970 32.668 1.00 0.00 C ATOM 58 O VAL A 4 7.887 15.176 33.478 1.00 0.00 O ATOM 59 CB VAL A 4 7.060 17.834 31.633 1.00 0.00 C ATOM 60 CG1 VAL A 4 5.895 17.851 32.617 1.00 0.00 C ATOM 61 CG2 VAL A 4 8.160 18.789 32.100 1.00 0.00 C ATOM 0 H VAL A 4 5.775 15.468 31.927 1.00 0.00 H new ATOM 0 HA VAL A 4 8.252 16.402 30.581 1.00 0.00 H new ATOM 0 HB VAL A 4 6.708 18.181 30.661 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.535 18.873 32.737 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.088 17.225 32.237 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.228 17.468 33.582 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.745 19.790 32.222 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.561 18.444 33.053 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.958 18.815 31.358 1.00 0.00 H new ATOM 71 N THR A 5 9.569 16.497 32.790 1.00 0.00 N ATOM 72 CA THR A 5 10.436 16.171 33.913 1.00 0.00 C ATOM 73 C THR A 5 11.061 17.432 34.489 1.00 0.00 C ATOM 74 O THR A 5 11.257 18.421 33.783 1.00 0.00 O ATOM 75 CB THR A 5 11.526 15.204 33.468 1.00 0.00 C ATOM 76 OG1 THR A 5 11.699 15.281 32.061 1.00 0.00 O ATOM 77 CG2 THR A 5 11.174 13.777 33.874 1.00 0.00 C ATOM 0 H THR A 5 9.972 17.156 32.124 1.00 0.00 H new ATOM 0 HA THR A 5 9.835 15.697 34.689 1.00 0.00 H new ATOM 0 HB THR A 5 12.459 15.483 33.958 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.402 14.658 31.783 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.964 13.101 33.548 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.073 13.721 34.958 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.233 13.488 33.407 1.00 0.00 H new ATOM 85 N PHE A 6 11.373 17.387 35.777 1.00 0.00 N ATOM 86 CA PHE A 6 11.980 18.521 36.460 1.00 0.00 C ATOM 87 C PHE A 6 13.226 18.069 37.206 1.00 0.00 C ATOM 88 O PHE A 6 13.627 16.909 37.116 1.00 0.00 O ATOM 89 CB PHE A 6 10.983 19.141 37.435 1.00 0.00 C ATOM 90 CG PHE A 6 10.047 20.120 36.772 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.071 19.665 35.900 1.00 0.00 C ATOM 92 CD2 PHE A 6 10.162 21.475 37.034 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.212 20.565 35.291 1.00 0.00 C ATOM 94 CE2 PHE A 6 9.303 22.374 36.425 1.00 0.00 C ATOM 95 CZ PHE A 6 8.328 21.919 35.553 1.00 0.00 C ATOM 0 H PHE A 6 11.215 16.574 36.372 1.00 0.00 H new ATOM 0 HA PHE A 6 12.261 19.271 35.720 1.00 0.00 H new ATOM 0 HB2 PHE A 6 10.400 18.348 37.904 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.528 19.649 38.231 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.980 18.609 35.695 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.922 21.831 37.714 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.451 20.210 34.611 1.00 0.00 H new ATOM 0 HE2 PHE A 6 9.393 23.431 36.630 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.658 22.621 35.078 1.00 0.00 H new ATOM 105 N THR A 7 13.837 18.988 37.941 1.00 0.00 N ATOM 106 CA THR A 7 15.040 18.680 38.700 1.00 0.00 C ATOM 107 C THR A 7 15.337 19.801 39.684 1.00 0.00 C ATOM 108 O THR A 7 14.664 20.832 39.686 1.00 0.00 O ATOM 109 CB THR A 7 16.222 18.494 37.753 1.00 0.00 C ATOM 110 OG1 THR A 7 15.760 18.348 36.419 1.00 0.00 O ATOM 111 CG2 THR A 7 17.051 17.277 38.155 1.00 0.00 C ATOM 0 H THR A 7 13.519 19.953 38.027 1.00 0.00 H new ATOM 0 HA THR A 7 14.880 17.755 39.254 1.00 0.00 H new ATOM 0 HB THR A 7 16.855 19.379 37.817 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.504 18.073 35.843 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.888 17.163 37.466 1.00 0.00 H new ATOM 0 HG22 THR A 7 17.430 17.413 39.168 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.427 16.384 38.118 1.00 0.00 H new ATOM 119 N VAL A 8 16.347 19.595 40.517 1.00 0.00 N ATOM 120 CA VAL A 8 16.735 20.590 41.506 1.00 0.00 C ATOM 121 C VAL A 8 18.198 20.964 41.325 1.00 0.00 C ATOM 122 O VAL A 8 19.078 20.429 41.999 1.00 0.00 O ATOM 123 CB VAL A 8 16.493 20.042 42.908 1.00 0.00 C ATOM 124 CG1 VAL A 8 16.923 21.057 43.964 1.00 0.00 C ATOM 125 CG2 VAL A 8 15.023 19.672 43.083 1.00 0.00 C ATOM 0 H VAL A 8 16.913 18.747 40.528 1.00 0.00 H new ATOM 0 HA VAL A 8 16.131 21.487 41.370 1.00 0.00 H new ATOM 0 HB VAL A 8 17.095 19.142 43.038 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.742 20.647 44.958 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.985 21.274 43.849 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.349 21.976 43.841 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.863 19.282 44.088 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.405 20.557 42.935 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.750 18.912 42.351 1.00 0.00 H new ATOM 135 N GLU A 9 18.449 21.885 40.399 1.00 0.00 N ATOM 136 CA GLU A 9 19.804 22.341 40.104 1.00 0.00 C ATOM 137 C GLU A 9 20.558 22.669 41.388 1.00 0.00 C ATOM 138 O GLU A 9 19.956 22.864 42.443 1.00 0.00 O ATOM 139 CB GLU A 9 19.746 23.570 39.202 1.00 0.00 C ATOM 140 CG GLU A 9 19.471 23.174 37.753 1.00 0.00 C ATOM 141 CD GLU A 9 20.492 23.823 36.828 1.00 0.00 C ATOM 142 OE1 GLU A 9 21.075 24.857 37.218 1.00 0.00 O ATOM 143 OE2 GLU A 9 20.707 23.297 35.716 1.00 0.00 O ATOM 0 H GLU A 9 17.726 22.333 39.836 1.00 0.00 H new ATOM 0 HA GLU A 9 20.337 21.540 39.592 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.966 24.246 39.552 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.689 24.114 39.261 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.514 22.090 37.650 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.465 23.482 37.469 1.00 0.00 H new ATOM 150 N LYS A 10 21.883 22.723 41.287 1.00 0.00 N ATOM 151 CA LYS A 10 22.732 23.022 42.436 1.00 0.00 C ATOM 152 C LYS A 10 22.415 24.402 43.006 1.00 0.00 C ATOM 153 O LYS A 10 22.762 24.703 44.148 1.00 0.00 O ATOM 154 CB LYS A 10 24.200 22.956 42.025 1.00 0.00 C ATOM 155 CG LYS A 10 24.722 21.522 42.067 1.00 0.00 C ATOM 156 CD LYS A 10 25.916 21.341 41.134 1.00 0.00 C ATOM 157 CE LYS A 10 25.901 19.964 40.477 1.00 0.00 C ATOM 158 NZ LYS A 10 25.785 18.879 41.492 1.00 0.00 N ATOM 0 H LYS A 10 22.393 22.563 40.418 1.00 0.00 H new ATOM 0 HA LYS A 10 22.536 22.279 43.209 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.317 23.359 41.019 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.795 23.582 42.690 1.00 0.00 H new ATOM 0 HG2 LYS A 10 25.012 21.268 43.086 1.00 0.00 H new ATOM 0 HG3 LYS A 10 23.926 20.834 41.781 1.00 0.00 H new ATOM 0 HD2 LYS A 10 25.900 22.114 40.365 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.842 21.469 41.695 1.00 0.00 H new ATOM 0 HE2 LYS A 10 25.067 19.902 39.778 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.813 19.826 39.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 26.013 17.965 41.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 26.447 19.062 42.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 24.813 18.852 41.862 1.00 0.00 H new ATOM 172 N GLY A 11 21.757 25.242 42.209 1.00 0.00 N ATOM 173 CA GLY A 11 21.401 26.590 42.642 1.00 0.00 C ATOM 174 C GLY A 11 20.243 26.579 43.642 1.00 0.00 C ATOM 175 O GLY A 11 19.842 27.632 44.139 1.00 0.00 O ATOM 0 H GLY A 11 21.460 25.012 41.261 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.269 27.067 43.097 1.00 0.00 H new ATOM 0 HA3 GLY A 11 21.126 27.190 41.774 1.00 0.00 H new ATOM 179 N SER A 12 19.703 25.397 43.936 1.00 0.00 N ATOM 180 CA SER A 12 18.593 25.279 44.876 1.00 0.00 C ATOM 181 C SER A 12 19.090 25.413 46.309 1.00 0.00 C ATOM 182 O SER A 12 20.025 24.726 46.720 1.00 0.00 O ATOM 183 CB SER A 12 17.896 23.935 44.693 1.00 0.00 C ATOM 184 OG SER A 12 16.987 23.989 43.604 1.00 0.00 O ATOM 0 H SER A 12 20.016 24.512 43.538 1.00 0.00 H new ATOM 0 HA SER A 12 17.883 26.082 44.677 1.00 0.00 H new ATOM 0 HB2 SER A 12 18.637 23.156 44.517 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.363 23.668 45.606 1.00 0.00 H new ATOM 0 HG SER A 12 16.069 23.919 43.940 1.00 0.00 H new ATOM 190 N ASN A 13 18.453 26.298 47.068 1.00 0.00 N ATOM 191 CA ASN A 13 18.823 26.522 48.461 1.00 0.00 C ATOM 192 C ASN A 13 17.577 26.564 49.334 1.00 0.00 C ATOM 193 O ASN A 13 16.500 26.141 48.915 1.00 0.00 O ATOM 194 CB ASN A 13 19.596 27.832 48.595 1.00 0.00 C ATOM 195 CG ASN A 13 20.665 27.928 47.515 1.00 0.00 C ATOM 196 OD1 ASN A 13 20.500 28.876 46.599 1.00 0.00 O flip ATOM 197 ND2 ASN A 13 21.627 27.159 47.509 1.00 0.00 N flip ATOM 0 H ASN A 13 17.676 26.873 46.741 1.00 0.00 H new ATOM 0 HA ASN A 13 19.459 25.700 48.791 1.00 0.00 H new ATOM 0 HB2 ASN A 13 18.911 28.676 48.514 1.00 0.00 H new ATOM 0 HB3 ASN A 13 20.059 27.890 49.580 1.00 0.00 H new ATOM 0 HD21 ASN A 13 21.714 26.445 48.232 1.00 0.00 H new ATOM 0 HD22 ASN A 13 22.337 27.236 46.781 1.00 0.00 H new ATOM 204 N GLU A 14 17.728 27.074 50.551 1.00 0.00 N ATOM 205 CA GLU A 14 16.612 27.170 51.486 1.00 0.00 C ATOM 206 C GLU A 14 15.691 28.321 51.100 1.00 0.00 C ATOM 207 O GLU A 14 14.468 28.194 51.156 1.00 0.00 O ATOM 208 CB GLU A 14 17.137 27.376 52.904 1.00 0.00 C ATOM 209 CG GLU A 14 17.904 28.690 53.023 1.00 0.00 C ATOM 210 CD GLU A 14 18.706 28.718 54.317 1.00 0.00 C ATOM 211 OE1 GLU A 14 18.889 27.644 54.928 1.00 0.00 O ATOM 212 OE2 GLU A 14 19.152 29.814 54.717 1.00 0.00 O ATOM 0 H GLU A 14 18.613 27.428 50.914 1.00 0.00 H new ATOM 0 HA GLU A 14 16.043 26.241 51.446 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.304 27.373 53.607 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.788 26.546 53.178 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.573 28.807 52.170 1.00 0.00 H new ATOM 0 HG3 GLU A 14 17.208 29.529 53.000 1.00 0.00 H new ATOM 219 N LYS A 15 16.284 29.446 50.709 1.00 0.00 N ATOM 220 CA LYS A 15 15.513 30.622 50.315 1.00 0.00 C ATOM 221 C LYS A 15 15.114 30.531 48.847 1.00 0.00 C ATOM 222 O LYS A 15 14.000 30.898 48.474 1.00 0.00 O ATOM 223 CB LYS A 15 16.330 31.889 50.547 1.00 0.00 C ATOM 224 CG LYS A 15 17.054 31.849 51.890 1.00 0.00 C ATOM 225 CD LYS A 15 16.073 31.664 53.046 1.00 0.00 C ATOM 226 CE LYS A 15 14.953 32.700 52.995 1.00 0.00 C ATOM 227 NZ LYS A 15 14.744 33.337 54.326 1.00 0.00 N ATOM 0 H LYS A 15 17.295 29.568 50.657 1.00 0.00 H new ATOM 0 HA LYS A 15 14.610 30.661 50.925 1.00 0.00 H new ATOM 0 HB2 LYS A 15 17.057 32.007 49.744 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.673 32.758 50.512 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.778 31.034 51.891 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.615 32.773 52.031 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.646 30.662 53.007 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.605 31.747 53.994 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.196 33.465 52.257 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.029 32.224 52.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.977 34.036 54.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.489 32.609 55.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.620 33.811 54.625 1.00 0.00 H new ATOM 241 N HIS A 16 16.031 30.045 48.017 1.00 0.00 N ATOM 242 CA HIS A 16 15.773 29.912 46.587 1.00 0.00 C ATOM 243 C HIS A 16 15.352 28.489 46.249 1.00 0.00 C ATOM 244 O HIS A 16 15.587 27.559 47.020 1.00 0.00 O ATOM 245 CB HIS A 16 17.025 30.277 45.794 1.00 0.00 C ATOM 246 CG HIS A 16 17.430 31.705 45.971 1.00 0.00 C ATOM 247 ND1 HIS A 16 17.817 32.233 47.175 1.00 0.00 N ATOM 248 CD2 HIS A 16 17.514 32.737 45.093 1.00 0.00 C ATOM 249 CE1 HIS A 16 18.119 33.505 47.057 1.00 0.00 C ATOM 250 NE2 HIS A 16 17.946 33.851 45.791 1.00 0.00 N ATOM 0 H HIS A 16 16.958 29.737 48.309 1.00 0.00 H new ATOM 0 HA HIS A 16 14.964 30.591 46.319 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.846 29.631 46.104 1.00 0.00 H new ATOM 0 HB3 HIS A 16 16.848 30.083 44.736 1.00 0.00 H new ATOM 0 HD2 HIS A 16 17.285 32.696 44.038 1.00 0.00 H new ATOM 0 HE1 HIS A 16 18.450 34.155 47.853 1.00 0.00 H new ATOM 0 HE2 HIS A 16 18.104 34.779 45.398 1.00 0.00 H new ATOM 258 N LEU A 17 14.736 28.329 45.084 1.00 0.00 N ATOM 259 CA LEU A 17 14.285 27.021 44.625 1.00 0.00 C ATOM 260 C LEU A 17 14.510 26.902 43.126 1.00 0.00 C ATOM 261 O LEU A 17 13.617 27.182 42.327 1.00 0.00 O ATOM 262 CB LEU A 17 12.805 26.828 44.959 1.00 0.00 C ATOM 263 CG LEU A 17 12.469 25.364 45.258 1.00 0.00 C ATOM 264 CD1 LEU A 17 12.529 24.525 43.985 1.00 0.00 C ATOM 265 CD2 LEU A 17 13.406 24.793 46.319 1.00 0.00 C ATOM 0 H LEU A 17 14.537 29.092 44.437 1.00 0.00 H new ATOM 0 HA LEU A 17 14.857 26.244 45.132 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.545 27.443 45.821 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.197 27.176 44.124 1.00 0.00 H new ATOM 0 HG LEU A 17 11.452 25.327 45.648 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.287 23.489 44.221 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.811 24.910 43.261 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.532 24.576 43.562 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.146 23.752 46.512 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.435 24.850 45.964 1.00 0.00 H new ATOM 0 HD23 LEU A 17 13.307 25.369 47.239 1.00 0.00 H new ATOM 277 N ALA A 18 15.717 26.491 42.753 1.00 0.00 N ATOM 278 CA ALA A 18 16.077 26.339 41.349 1.00 0.00 C ATOM 279 C ALA A 18 15.523 25.031 40.802 1.00 0.00 C ATOM 280 O ALA A 18 15.491 24.018 41.500 1.00 0.00 O ATOM 281 CB ALA A 18 17.596 26.367 41.194 1.00 0.00 C ATOM 0 H ALA A 18 16.465 26.257 43.406 1.00 0.00 H new ATOM 0 HA ALA A 18 15.646 27.166 40.785 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.857 26.253 40.142 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.982 27.318 41.562 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.035 25.551 41.767 1.00 0.00 H new ATOM 287 N VAL A 19 15.084 25.059 39.549 1.00 0.00 N ATOM 288 CA VAL A 19 14.527 23.874 38.908 1.00 0.00 C ATOM 289 C VAL A 19 15.020 23.770 37.471 1.00 0.00 C ATOM 290 O VAL A 19 15.070 24.765 36.748 1.00 0.00 O ATOM 291 CB VAL A 19 13.003 23.939 38.930 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.483 23.878 40.364 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.514 25.206 38.237 1.00 0.00 C ATOM 0 H VAL A 19 15.103 25.889 38.957 1.00 0.00 H new ATOM 0 HA VAL A 19 14.856 22.991 39.457 1.00 0.00 H new ATOM 0 HB VAL A 19 12.614 23.077 38.388 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.394 23.926 40.358 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.803 22.945 40.828 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.880 24.720 40.931 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.425 25.237 38.261 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.913 26.080 38.752 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.854 25.209 37.201 1.00 0.00 H new ATOM 303 N LEU A 20 15.384 22.561 37.061 1.00 0.00 N ATOM 304 CA LEU A 20 15.872 22.330 35.707 1.00 0.00 C ATOM 305 C LEU A 20 14.715 21.956 34.787 1.00 0.00 C ATOM 306 O LEU A 20 14.655 20.838 34.274 1.00 0.00 O ATOM 307 CB LEU A 20 16.916 21.218 35.711 1.00 0.00 C ATOM 308 CG LEU A 20 18.070 21.540 34.765 1.00 0.00 C ATOM 309 CD1 LEU A 20 19.219 20.557 34.969 1.00 0.00 C ATOM 310 CD2 LEU A 20 17.598 21.518 33.314 1.00 0.00 C ATOM 0 H LEU A 20 15.351 21.726 37.646 1.00 0.00 H new ATOM 0 HA LEU A 20 16.332 23.247 35.338 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.299 21.079 36.722 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.451 20.278 35.414 1.00 0.00 H new ATOM 0 HG LEU A 20 18.430 22.543 34.993 1.00 0.00 H new ATOM 0 HD11 LEU A 20 20.033 20.802 34.286 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.576 20.622 35.997 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.871 19.544 34.770 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.435 21.750 32.656 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.210 20.528 33.073 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.811 22.260 33.176 1.00 0.00 H new ATOM 322 N VAL A 21 13.795 22.895 34.585 1.00 0.00 N ATOM 323 CA VAL A 21 12.636 22.659 33.728 1.00 0.00 C ATOM 324 C VAL A 21 13.081 22.368 32.301 1.00 0.00 C ATOM 325 O VAL A 21 13.656 23.226 31.632 1.00 0.00 O ATOM 326 CB VAL A 21 11.710 23.873 33.745 1.00 0.00 C ATOM 327 CG1 VAL A 21 10.362 23.527 33.115 1.00 0.00 C ATOM 328 CG2 VAL A 21 11.520 24.382 35.171 1.00 0.00 C ATOM 0 H VAL A 21 13.829 23.825 35.002 1.00 0.00 H new ATOM 0 HA VAL A 21 12.095 21.794 34.111 1.00 0.00 H new ATOM 0 HB VAL A 21 12.171 24.666 33.156 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.715 24.404 33.136 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.513 23.212 32.083 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.895 22.718 33.677 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.857 25.247 35.163 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.081 23.594 35.783 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.486 24.669 35.587 1.00 0.00 H new ATOM 338 N LYS A 22 12.812 21.151 31.842 1.00 0.00 N ATOM 339 CA LYS A 22 13.182 20.740 30.493 1.00 0.00 C ATOM 340 C LYS A 22 12.594 19.370 30.181 1.00 0.00 C ATOM 341 O LYS A 22 11.936 18.760 31.024 1.00 0.00 O ATOM 342 CB LYS A 22 14.702 20.699 30.360 1.00 0.00 C ATOM 343 CG LYS A 22 15.177 21.546 29.183 1.00 0.00 C ATOM 344 CD LYS A 22 16.688 21.437 28.999 1.00 0.00 C ATOM 345 CE LYS A 22 17.134 22.071 27.684 1.00 0.00 C ATOM 346 NZ LYS A 22 17.883 23.339 27.921 1.00 0.00 N ATOM 0 H LYS A 22 12.338 20.430 32.386 1.00 0.00 H new ATOM 0 HA LYS A 22 12.782 21.463 29.782 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.160 21.062 31.280 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.030 19.668 30.225 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.673 21.223 28.272 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.902 22.588 29.347 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.194 21.926 29.831 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.984 20.388 29.018 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.764 21.371 27.135 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.263 22.272 27.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.173 23.747 27.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.272 24.014 28.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.727 23.141 28.496 1.00 0.00 H new ATOM 360 N TYR A 23 12.833 18.890 28.965 1.00 0.00 N ATOM 361 CA TYR A 23 12.322 17.586 28.542 1.00 0.00 C ATOM 362 C TYR A 23 13.310 16.921 27.594 1.00 0.00 C ATOM 363 O TYR A 23 13.972 15.947 27.954 1.00 0.00 O ATOM 364 CB TYR A 23 10.959 17.727 27.849 1.00 0.00 C ATOM 365 CG TYR A 23 10.250 19.030 28.145 1.00 0.00 C ATOM 366 CD1 TYR A 23 10.740 20.217 27.627 1.00 0.00 C ATOM 367 CD2 TYR A 23 9.111 19.039 28.932 1.00 0.00 C ATOM 368 CE1 TYR A 23 10.091 21.410 27.897 1.00 0.00 C ATOM 369 CE2 TYR A 23 8.463 20.234 29.200 1.00 0.00 C ATOM 370 CZ TYR A 23 8.957 21.413 28.681 1.00 0.00 C ATOM 371 OH TYR A 23 8.313 22.600 28.948 1.00 0.00 O ATOM 0 H TYR A 23 13.376 19.381 28.255 1.00 0.00 H new ATOM 0 HA TYR A 23 12.197 16.968 29.431 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.100 17.638 26.772 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.320 16.899 28.156 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.628 20.212 27.013 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.727 18.114 29.337 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.473 22.337 27.494 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.574 20.243 29.813 1.00 0.00 H new ATOM 0 HH TYR A 23 7.443 22.415 29.360 1.00 0.00 H new ATOM 381 N GLU A 24 13.407 17.454 26.381 1.00 0.00 N ATOM 382 CA GLU A 24 14.316 16.916 25.375 1.00 0.00 C ATOM 383 C GLU A 24 14.914 18.046 24.548 1.00 0.00 C ATOM 384 O GLU A 24 16.133 18.205 24.486 1.00 0.00 O ATOM 385 CB GLU A 24 13.569 15.944 24.465 1.00 0.00 C ATOM 386 CG GLU A 24 14.495 15.359 23.403 1.00 0.00 C ATOM 387 CD GLU A 24 14.998 13.988 23.838 1.00 0.00 C ATOM 388 OE1 GLU A 24 14.162 13.077 24.017 1.00 0.00 O ATOM 389 OE2 GLU A 24 16.226 13.827 23.998 1.00 0.00 O ATOM 0 H GLU A 24 12.866 18.261 26.070 1.00 0.00 H new ATOM 0 HA GLU A 24 15.123 16.384 25.879 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.142 15.138 25.062 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.738 16.459 23.983 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.965 15.275 22.454 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.339 16.028 23.238 1.00 0.00 H new ATOM 396 N GLY A 25 14.048 18.831 23.915 1.00 0.00 N ATOM 397 CA GLY A 25 14.488 19.951 23.091 1.00 0.00 C ATOM 398 C GLY A 25 13.311 20.845 22.722 1.00 0.00 C ATOM 399 O GLY A 25 12.969 20.983 21.547 1.00 0.00 O ATOM 0 H GLY A 25 13.036 18.712 23.957 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.237 20.532 23.629 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.965 19.577 22.185 1.00 0.00 H new ATOM 403 N ASP A 26 12.693 21.451 23.731 1.00 0.00 N ATOM 404 CA ASP A 26 11.552 22.334 23.513 1.00 0.00 C ATOM 405 C ASP A 26 12.003 23.788 23.488 1.00 0.00 C ATOM 406 O ASP A 26 13.198 24.076 23.406 1.00 0.00 O ATOM 407 CB ASP A 26 10.517 22.130 24.615 1.00 0.00 C ATOM 408 CG ASP A 26 9.110 22.216 24.040 1.00 0.00 C ATOM 409 OD1 ASP A 26 8.751 23.285 23.502 1.00 0.00 O ATOM 410 OD2 ASP A 26 8.369 21.215 24.127 1.00 0.00 O ATOM 0 H ASP A 26 12.964 21.347 24.709 1.00 0.00 H new ATOM 0 HA ASP A 26 11.102 22.091 22.550 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.665 21.159 25.088 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.647 22.885 25.390 1.00 0.00 H new ATOM 415 N THR A 27 11.042 24.704 23.558 1.00 0.00 N ATOM 416 CA THR A 27 11.340 26.132 23.543 1.00 0.00 C ATOM 417 C THR A 27 10.844 26.793 24.824 1.00 0.00 C ATOM 418 O THR A 27 9.706 26.580 25.244 1.00 0.00 O ATOM 419 CB THR A 27 10.686 26.789 22.331 1.00 0.00 C ATOM 420 OG1 THR A 27 9.311 26.440 22.274 1.00 0.00 O ATOM 421 CG2 THR A 27 11.386 26.369 21.042 1.00 0.00 C ATOM 0 H THR A 27 10.049 24.482 23.626 1.00 0.00 H new ATOM 0 HA THR A 27 12.420 26.261 23.480 1.00 0.00 H new ATOM 0 HB THR A 27 10.778 27.870 22.434 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.974 26.584 21.365 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.902 26.850 20.192 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.433 26.670 21.082 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.324 25.287 20.930 1.00 0.00 H new ATOM 429 N MET A 28 11.707 27.592 25.441 1.00 0.00 N ATOM 430 CA MET A 28 11.366 28.287 26.679 1.00 0.00 C ATOM 431 C MET A 28 10.667 29.604 26.381 1.00 0.00 C ATOM 432 O MET A 28 11.197 30.453 25.665 1.00 0.00 O ATOM 433 CB MET A 28 12.630 28.551 27.481 1.00 0.00 C ATOM 434 CG MET A 28 13.171 27.264 28.097 1.00 0.00 C ATOM 435 SD MET A 28 14.661 26.681 27.272 1.00 0.00 S ATOM 436 CE MET A 28 15.786 26.528 28.668 1.00 0.00 C ATOM 0 H MET A 28 12.652 27.776 25.103 1.00 0.00 H new ATOM 0 HA MET A 28 10.689 27.657 27.256 1.00 0.00 H new ATOM 0 HB2 MET A 28 13.388 28.995 26.835 1.00 0.00 H new ATOM 0 HB3 MET A 28 12.420 29.274 28.269 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.386 27.432 29.152 1.00 0.00 H new ATOM 0 HG3 MET A 28 12.405 26.490 28.047 1.00 0.00 H new ATOM 0 HE1 MET A 28 16.756 26.175 28.317 1.00 0.00 H new ATOM 0 HE2 MET A 28 15.905 27.500 29.147 1.00 0.00 H new ATOM 0 HE3 MET A 28 15.379 25.816 29.387 1.00 0.00 H new ATOM 446 N ALA A 29 9.473 29.767 26.936 1.00 0.00 N ATOM 447 CA ALA A 29 8.689 30.979 26.733 1.00 0.00 C ATOM 448 C ALA A 29 8.463 31.693 28.058 1.00 0.00 C ATOM 449 O ALA A 29 8.888 32.833 28.243 1.00 0.00 O ATOM 450 CB ALA A 29 7.348 30.618 26.111 1.00 0.00 C ATOM 0 H ALA A 29 9.025 29.072 27.533 1.00 0.00 H new ATOM 0 HA ALA A 29 9.235 31.645 26.065 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.762 31.524 25.959 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.512 30.127 25.152 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.808 29.944 26.776 1.00 0.00 H new ATOM 456 N GLU A 30 7.788 31.011 28.975 1.00 0.00 N ATOM 457 CA GLU A 30 7.495 31.569 30.290 1.00 0.00 C ATOM 458 C GLU A 30 7.274 30.448 31.294 1.00 0.00 C ATOM 459 O GLU A 30 6.841 29.355 30.930 1.00 0.00 O ATOM 460 CB GLU A 30 6.252 32.451 30.218 1.00 0.00 C ATOM 461 CG GLU A 30 6.610 33.882 29.828 1.00 0.00 C ATOM 462 CD GLU A 30 5.746 34.872 30.598 1.00 0.00 C ATOM 463 OE1 GLU A 30 4.598 35.117 30.172 1.00 0.00 O ATOM 464 OE2 GLU A 30 6.219 35.401 31.626 1.00 0.00 O ATOM 0 H GLU A 30 7.432 30.066 28.831 1.00 0.00 H new ATOM 0 HA GLU A 30 8.343 32.174 30.613 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.552 32.038 29.492 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.747 32.451 31.184 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.663 34.070 30.036 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.467 34.021 28.756 1.00 0.00 H new ATOM 471 N VAL A 31 7.574 30.721 32.558 1.00 0.00 N ATOM 472 CA VAL A 31 7.404 29.726 33.607 1.00 0.00 C ATOM 473 C VAL A 31 6.881 30.373 34.881 1.00 0.00 C ATOM 474 O VAL A 31 7.259 31.495 35.221 1.00 0.00 O ATOM 475 CB VAL A 31 8.735 29.029 33.885 1.00 0.00 C ATOM 476 CG1 VAL A 31 8.526 27.799 34.765 1.00 0.00 C ATOM 477 CG2 VAL A 31 9.420 28.640 32.579 1.00 0.00 C ATOM 0 H VAL A 31 7.935 31.619 32.880 1.00 0.00 H new ATOM 0 HA VAL A 31 6.676 28.988 33.269 1.00 0.00 H new ATOM 0 HB VAL A 31 9.380 29.727 34.418 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.486 27.317 34.951 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.082 28.101 35.713 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.861 27.099 34.260 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.366 28.145 32.798 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.777 27.962 32.019 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.607 29.535 31.986 1.00 0.00 H new ATOM 487 N GLU A 32 6.010 29.657 35.583 1.00 0.00 N ATOM 488 CA GLU A 32 5.433 30.151 36.823 1.00 0.00 C ATOM 489 C GLU A 32 5.405 29.035 37.864 1.00 0.00 C ATOM 490 O GLU A 32 5.172 27.873 37.531 1.00 0.00 O ATOM 491 CB GLU A 32 4.026 30.689 36.561 1.00 0.00 C ATOM 492 CG GLU A 32 3.015 29.569 36.335 1.00 0.00 C ATOM 493 CD GLU A 32 1.921 30.028 35.380 1.00 0.00 C ATOM 494 OE1 GLU A 32 1.210 31.000 35.713 1.00 0.00 O ATOM 495 OE2 GLU A 32 1.777 29.416 34.301 1.00 0.00 O ATOM 0 H GLU A 32 5.688 28.728 35.311 1.00 0.00 H new ATOM 0 HA GLU A 32 6.046 30.965 37.210 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.708 31.298 37.407 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.045 31.341 35.688 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.518 28.692 35.927 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.575 29.270 37.286 1.00 0.00 H new ATOM 502 N LEU A 33 5.653 29.389 39.120 1.00 0.00 N ATOM 503 CA LEU A 33 5.666 28.416 40.198 1.00 0.00 C ATOM 504 C LEU A 33 4.589 28.766 41.227 1.00 0.00 C ATOM 505 O LEU A 33 4.289 29.938 41.453 1.00 0.00 O ATOM 506 CB LEU A 33 7.076 28.395 40.821 1.00 0.00 C ATOM 507 CG LEU A 33 7.079 27.958 42.286 1.00 0.00 C ATOM 508 CD1 LEU A 33 6.584 26.521 42.419 1.00 0.00 C ATOM 509 CD2 LEU A 33 8.473 28.102 42.889 1.00 0.00 C ATOM 0 H LEU A 33 5.848 30.346 39.414 1.00 0.00 H new ATOM 0 HA LEU A 33 5.439 27.419 39.821 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.711 27.721 40.246 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.515 29.390 40.744 1.00 0.00 H new ATOM 0 HG LEU A 33 6.399 28.608 42.837 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.594 26.229 43.469 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.568 26.449 42.031 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.237 25.857 41.852 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.453 27.786 43.932 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.175 27.480 42.335 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.788 29.144 42.832 1.00 0.00 H new ATOM 521 N ARG A 34 4.019 27.739 41.849 1.00 0.00 N ATOM 522 CA ARG A 34 2.984 27.926 42.860 1.00 0.00 C ATOM 523 C ARG A 34 3.131 26.879 43.956 1.00 0.00 C ATOM 524 O ARG A 34 3.815 25.872 43.775 1.00 0.00 O ATOM 525 CB ARG A 34 1.600 27.820 42.226 1.00 0.00 C ATOM 526 CG ARG A 34 0.504 28.136 43.242 1.00 0.00 C ATOM 527 CD ARG A 34 -0.864 28.241 42.574 1.00 0.00 C ATOM 528 NE ARG A 34 -1.756 27.203 43.080 1.00 0.00 N ATOM 529 CZ ARG A 34 -2.939 26.968 42.522 1.00 0.00 C ATOM 530 NH1 ARG A 34 -3.018 26.268 41.399 1.00 0.00 N ATOM 531 NH2 ARG A 34 -4.045 27.434 43.086 1.00 0.00 N ATOM 0 H ARG A 34 4.258 26.764 41.669 1.00 0.00 H new ATOM 0 HA ARG A 34 3.097 28.919 43.296 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.529 28.508 41.384 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.454 26.815 41.830 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.479 27.358 44.005 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.735 29.073 43.749 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.294 29.224 42.764 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.757 28.143 41.494 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.464 26.644 43.882 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.170 25.908 40.961 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.927 26.089 40.973 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.989 27.974 43.950 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.952 27.253 42.656 1.00 0.00 H new ATOM 545 N GLU A 35 2.483 27.116 45.090 1.00 0.00 N ATOM 546 CA GLU A 35 2.542 26.186 46.209 1.00 0.00 C ATOM 547 C GLU A 35 1.149 25.667 46.516 1.00 0.00 C ATOM 548 O GLU A 35 0.826 24.515 46.225 1.00 0.00 O ATOM 549 CB GLU A 35 3.121 26.881 47.437 1.00 0.00 C ATOM 550 CG GLU A 35 4.630 26.675 47.525 1.00 0.00 C ATOM 551 CD GLU A 35 4.941 25.305 48.112 1.00 0.00 C ATOM 552 OE1 GLU A 35 4.745 24.295 47.403 1.00 0.00 O ATOM 553 OE2 GLU A 35 5.381 25.242 49.279 1.00 0.00 O ATOM 0 H GLU A 35 1.911 27.944 45.258 1.00 0.00 H new ATOM 0 HA GLU A 35 3.186 25.348 45.943 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.898 27.947 47.394 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.645 26.492 48.337 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.075 26.763 46.534 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.075 27.454 48.145 1.00 0.00 H new ATOM 560 N HIS A 36 0.325 26.528 47.097 1.00 0.00 N ATOM 561 CA HIS A 36 -1.041 26.163 47.439 1.00 0.00 C ATOM 562 C HIS A 36 -1.762 27.345 48.073 1.00 0.00 C ATOM 563 O HIS A 36 -2.941 27.581 47.807 1.00 0.00 O ATOM 564 CB HIS A 36 -1.036 24.975 48.397 1.00 0.00 C ATOM 565 CG HIS A 36 -2.328 24.221 48.395 1.00 0.00 C ATOM 566 ND1 HIS A 36 -3.107 24.060 49.512 1.00 0.00 N ATOM 567 CD2 HIS A 36 -2.996 23.572 47.407 1.00 0.00 C ATOM 568 CE1 HIS A 36 -4.183 23.360 49.238 1.00 0.00 C ATOM 569 NE2 HIS A 36 -4.150 23.043 47.955 1.00 0.00 N ATOM 0 H HIS A 36 0.580 27.485 47.341 1.00 0.00 H new ATOM 0 HA HIS A 36 -1.569 25.883 46.528 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.226 24.299 48.125 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.830 25.330 49.407 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.682 23.485 46.377 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.960 23.090 49.938 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.855 22.501 47.455 1.00 0.00 H new ATOM 577 N GLY A 37 -1.046 28.086 48.911 1.00 0.00 N ATOM 578 CA GLY A 37 -1.613 29.249 49.584 1.00 0.00 C ATOM 579 C GLY A 37 -0.634 30.415 49.552 1.00 0.00 C ATOM 580 O GLY A 37 -0.248 30.942 50.595 1.00 0.00 O ATOM 0 H GLY A 37 -0.070 27.902 49.141 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.546 29.537 49.100 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.854 28.997 50.617 1.00 0.00 H new ATOM 584 N SER A 38 -0.232 30.811 48.348 1.00 0.00 N ATOM 585 CA SER A 38 0.707 31.915 48.179 1.00 0.00 C ATOM 586 C SER A 38 0.210 32.879 47.107 1.00 0.00 C ATOM 587 O SER A 38 0.795 32.982 46.029 1.00 0.00 O ATOM 588 CB SER A 38 2.084 31.374 47.802 1.00 0.00 C ATOM 589 OG SER A 38 2.853 32.371 47.148 1.00 0.00 O ATOM 0 H SER A 38 -0.542 30.384 47.475 1.00 0.00 H new ATOM 0 HA SER A 38 0.783 32.456 49.122 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.605 31.035 48.698 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.974 30.507 47.150 1.00 0.00 H new ATOM 0 HG SER A 38 2.505 32.511 46.242 1.00 0.00 H new ATOM 595 N ASP A 39 -0.874 33.585 47.414 1.00 0.00 N ATOM 596 CA ASP A 39 -1.457 34.549 46.484 1.00 0.00 C ATOM 597 C ASP A 39 -1.631 33.930 45.102 1.00 0.00 C ATOM 598 O ASP A 39 -1.427 34.593 44.084 1.00 0.00 O ATOM 599 CB ASP A 39 -0.567 35.785 46.392 1.00 0.00 C ATOM 600 CG ASP A 39 -1.339 36.946 45.780 1.00 0.00 C ATOM 601 OD1 ASP A 39 -2.559 37.047 46.029 1.00 0.00 O ATOM 602 OD2 ASP A 39 -0.723 37.752 45.051 1.00 0.00 O ATOM 0 H ASP A 39 -1.369 33.508 48.303 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.439 34.839 46.858 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.210 36.059 47.385 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.312 35.564 45.787 1.00 0.00 H new ATOM 607 N GLU A 40 -2.014 32.658 45.071 1.00 0.00 N ATOM 608 CA GLU A 40 -2.222 31.950 43.812 1.00 0.00 C ATOM 609 C GLU A 40 -0.912 31.820 43.046 1.00 0.00 C ATOM 610 O GLU A 40 0.154 32.168 43.553 1.00 0.00 O ATOM 611 CB GLU A 40 -3.249 32.691 42.961 1.00 0.00 C ATOM 612 CG GLU A 40 -4.239 31.720 42.323 1.00 0.00 C ATOM 613 CD GLU A 40 -4.699 32.245 40.969 1.00 0.00 C ATOM 614 OE1 GLU A 40 -4.100 33.224 40.475 1.00 0.00 O ATOM 615 OE2 GLU A 40 -5.656 31.677 40.404 1.00 0.00 O ATOM 0 H GLU A 40 -2.187 32.095 45.904 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.594 30.950 44.036 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.787 33.410 43.579 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.739 33.259 42.183 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.773 30.742 42.202 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.099 31.584 42.979 1.00 0.00 H new ATOM 622 N TRP A 41 -1.004 31.313 41.821 1.00 0.00 N ATOM 623 CA TRP A 41 0.169 31.125 40.967 1.00 0.00 C ATOM 624 C TRP A 41 1.047 32.372 40.967 1.00 0.00 C ATOM 625 O TRP A 41 0.547 33.496 40.994 1.00 0.00 O ATOM 626 CB TRP A 41 -0.272 30.810 39.540 1.00 0.00 C ATOM 627 CG TRP A 41 -0.838 29.431 39.397 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.160 29.079 39.444 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.100 28.210 39.180 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.261 27.727 39.272 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.032 27.167 39.110 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.254 27.901 39.043 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.650 25.851 38.907 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.644 26.585 38.839 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.700 25.568 38.774 1.00 0.00 C ATOM 0 H TRP A 41 -1.883 31.023 41.393 1.00 0.00 H new ATOM 0 HA TRP A 41 0.749 30.291 41.363 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.020 31.539 39.227 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.580 30.919 38.869 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.987 29.758 39.593 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.139 27.208 39.266 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.996 28.684 39.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.387 25.064 38.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.692 26.349 38.730 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.021 24.549 38.619 1.00 0.00 H new ATOM 646 N VAL A 42 2.359 32.163 40.927 1.00 0.00 N ATOM 647 CA VAL A 42 3.313 33.267 40.912 1.00 0.00 C ATOM 648 C VAL A 42 4.422 32.978 39.911 1.00 0.00 C ATOM 649 O VAL A 42 5.231 32.072 40.110 1.00 0.00 O ATOM 650 CB VAL A 42 3.903 33.478 42.305 1.00 0.00 C ATOM 651 CG1 VAL A 42 2.933 34.266 43.180 1.00 0.00 C ATOM 652 CG2 VAL A 42 4.248 32.142 42.956 1.00 0.00 C ATOM 0 H VAL A 42 2.787 31.237 40.904 1.00 0.00 H new ATOM 0 HA VAL A 42 2.793 34.178 40.614 1.00 0.00 H new ATOM 0 HB VAL A 42 4.823 34.053 42.203 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.368 34.408 44.169 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.740 35.238 42.726 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.996 33.716 43.271 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.667 32.317 43.947 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.346 31.537 43.045 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.979 31.616 42.342 1.00 0.00 H new ATOM 662 N ALA A 43 4.447 33.748 38.826 1.00 0.00 N ATOM 663 CA ALA A 43 5.449 33.575 37.776 1.00 0.00 C ATOM 664 C ALA A 43 6.842 33.389 38.371 1.00 0.00 C ATOM 665 O ALA A 43 7.132 33.875 39.464 1.00 0.00 O ATOM 666 CB ALA A 43 5.441 34.786 36.848 1.00 0.00 C ATOM 0 H ALA A 43 3.782 34.501 38.650 1.00 0.00 H new ATOM 0 HA ALA A 43 5.197 32.679 37.209 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.190 34.651 36.068 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.456 34.889 36.392 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.671 35.685 37.420 1.00 0.00 H new ATOM 672 N MET A 44 7.699 32.681 37.641 1.00 0.00 N ATOM 673 CA MET A 44 9.064 32.425 38.091 1.00 0.00 C ATOM 674 C MET A 44 9.898 33.698 38.005 1.00 0.00 C ATOM 675 O MET A 44 9.367 34.786 37.784 1.00 0.00 O ATOM 676 CB MET A 44 9.698 31.333 37.234 1.00 0.00 C ATOM 677 CG MET A 44 9.791 30.012 37.993 1.00 0.00 C ATOM 678 SD MET A 44 11.314 29.871 38.944 1.00 0.00 S ATOM 679 CE MET A 44 10.976 28.391 39.911 1.00 0.00 C ATOM 0 H MET A 44 7.472 32.274 36.734 1.00 0.00 H new ATOM 0 HA MET A 44 9.033 32.094 39.129 1.00 0.00 H new ATOM 0 HB2 MET A 44 9.110 31.193 36.327 1.00 0.00 H new ATOM 0 HB3 MET A 44 10.694 31.646 36.922 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.937 29.921 38.664 1.00 0.00 H new ATOM 0 HG3 MET A 44 9.730 29.185 37.286 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.515 28.443 40.857 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.906 28.321 40.107 1.00 0.00 H new ATOM 0 HE3 MET A 44 11.302 27.511 39.356 1.00 0.00 H new ATOM 689 N THR A 45 11.208 33.553 38.179 1.00 0.00 N ATOM 690 CA THR A 45 12.120 34.690 38.120 1.00 0.00 C ATOM 691 C THR A 45 13.435 34.276 37.471 1.00 0.00 C ATOM 692 O THR A 45 14.284 33.655 38.110 1.00 0.00 O ATOM 693 CB THR A 45 12.378 35.223 39.527 1.00 0.00 C ATOM 694 OG1 THR A 45 11.146 35.510 40.169 1.00 0.00 O ATOM 695 CG2 THR A 45 13.248 36.475 39.481 1.00 0.00 C ATOM 0 H THR A 45 11.662 32.658 38.362 1.00 0.00 H new ATOM 0 HA THR A 45 11.664 35.477 37.519 1.00 0.00 H new ATOM 0 HB THR A 45 12.908 34.458 40.094 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.319 35.850 41.072 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.419 36.837 40.495 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.204 36.237 39.015 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.744 37.247 38.900 1.00 0.00 H new ATOM 703 N LYS A 46 13.597 34.621 36.197 1.00 0.00 N ATOM 704 CA LYS A 46 14.811 34.280 35.461 1.00 0.00 C ATOM 705 C LYS A 46 16.016 34.996 36.057 1.00 0.00 C ATOM 706 O LYS A 46 16.456 36.025 35.546 1.00 0.00 O ATOM 707 CB LYS A 46 14.653 34.656 33.990 1.00 0.00 C ATOM 708 CG LYS A 46 14.363 36.145 33.823 1.00 0.00 C ATOM 709 CD LYS A 46 13.629 36.421 32.514 1.00 0.00 C ATOM 710 CE LYS A 46 14.461 35.982 31.312 1.00 0.00 C ATOM 711 NZ LYS A 46 14.143 36.797 30.105 1.00 0.00 N ATOM 0 H LYS A 46 12.904 35.136 35.653 1.00 0.00 H new ATOM 0 HA LYS A 46 14.974 33.205 35.538 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.562 34.398 33.447 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.843 34.075 33.549 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.762 36.497 34.661 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.298 36.705 33.844 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.675 35.894 32.511 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.406 37.485 32.436 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.521 36.076 31.547 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.273 34.929 31.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.724 36.475 29.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.136 36.688 29.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.346 37.798 30.299 1.00 0.00 H new ATOM 725 N GLY A 47 16.548 34.442 37.142 1.00 0.00 N ATOM 726 CA GLY A 47 17.706 35.025 37.812 1.00 0.00 C ATOM 727 C GLY A 47 18.889 34.066 37.772 1.00 0.00 C ATOM 728 O GLY A 47 20.036 34.485 37.624 1.00 0.00 O ATOM 0 H GLY A 47 16.195 33.589 37.577 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.976 35.965 37.330 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.455 35.258 38.847 1.00 0.00 H new ATOM 732 N GLU A 48 18.601 32.775 37.904 1.00 0.00 N ATOM 733 CA GLU A 48 19.640 31.751 37.884 1.00 0.00 C ATOM 734 C GLU A 48 20.379 31.772 36.552 1.00 0.00 C ATOM 735 O GLU A 48 21.579 31.500 36.493 1.00 0.00 O ATOM 736 CB GLU A 48 19.019 30.377 38.113 1.00 0.00 C ATOM 737 CG GLU A 48 20.030 29.406 38.716 1.00 0.00 C ATOM 738 CD GLU A 48 21.117 29.076 37.702 1.00 0.00 C ATOM 739 OE1 GLU A 48 20.831 29.122 36.487 1.00 0.00 O ATOM 740 OE2 GLU A 48 22.252 28.771 38.124 1.00 0.00 O ATOM 0 H GLU A 48 17.655 32.413 38.026 1.00 0.00 H new ATOM 0 HA GLU A 48 20.353 31.959 38.682 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.160 30.470 38.777 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.650 29.980 37.167 1.00 0.00 H new ATOM 0 HG2 GLU A 48 20.477 29.844 39.609 1.00 0.00 H new ATOM 0 HG3 GLU A 48 19.525 28.492 39.028 1.00 0.00 H new ATOM 747 N GLY A 49 19.658 32.099 35.486 1.00 0.00 N ATOM 748 CA GLY A 49 20.245 32.158 34.152 1.00 0.00 C ATOM 749 C GLY A 49 19.971 30.872 33.384 1.00 0.00 C ATOM 750 O GLY A 49 19.198 30.862 32.426 1.00 0.00 O ATOM 0 H GLY A 49 18.665 32.328 35.519 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.834 33.007 33.606 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.320 32.319 34.230 1.00 0.00 H new ATOM 754 N GLY A 50 20.608 29.786 33.810 1.00 0.00 N ATOM 755 CA GLY A 50 20.433 28.490 33.163 1.00 0.00 C ATOM 756 C GLY A 50 19.084 27.886 33.530 1.00 0.00 C ATOM 757 O GLY A 50 18.499 27.129 32.754 1.00 0.00 O ATOM 0 H GLY A 50 21.251 29.778 34.602 1.00 0.00 H new ATOM 0 HA2 GLY A 50 20.504 28.605 32.081 1.00 0.00 H new ATOM 0 HA3 GLY A 50 21.234 27.815 33.465 1.00 0.00 H new ATOM 761 N VAL A 51 18.595 28.226 34.717 1.00 0.00 N ATOM 762 CA VAL A 51 17.311 27.721 35.193 1.00 0.00 C ATOM 763 C VAL A 51 16.508 28.843 35.834 1.00 0.00 C ATOM 764 O VAL A 51 16.937 29.996 35.848 1.00 0.00 O ATOM 765 CB VAL A 51 17.531 26.598 36.200 1.00 0.00 C ATOM 766 CG1 VAL A 51 18.052 25.349 35.496 1.00 0.00 C ATOM 767 CG2 VAL A 51 18.499 27.041 37.294 1.00 0.00 C ATOM 0 H VAL A 51 19.069 28.851 35.369 1.00 0.00 H new ATOM 0 HA VAL A 51 16.752 27.331 34.342 1.00 0.00 H new ATOM 0 HB VAL A 51 16.575 26.359 36.666 1.00 0.00 H new ATOM 0 HG11 VAL A 51 18.204 24.556 36.228 1.00 0.00 H new ATOM 0 HG12 VAL A 51 17.326 25.022 34.752 1.00 0.00 H new ATOM 0 HG13 VAL A 51 18.998 25.576 35.005 1.00 0.00 H new ATOM 0 HG21 VAL A 51 18.644 26.226 38.004 1.00 0.00 H new ATOM 0 HG22 VAL A 51 19.457 27.307 36.847 1.00 0.00 H new ATOM 0 HG23 VAL A 51 18.089 27.907 37.814 1.00 0.00 H new ATOM 777 N TRP A 52 15.336 28.502 36.356 1.00 0.00 N ATOM 778 CA TRP A 52 14.471 29.488 36.993 1.00 0.00 C ATOM 779 C TRP A 52 14.415 29.258 38.496 1.00 0.00 C ATOM 780 O TRP A 52 14.223 28.133 38.957 1.00 0.00 O ATOM 781 CB TRP A 52 13.067 29.406 36.401 1.00 0.00 C ATOM 782 CG TRP A 52 13.077 29.125 34.929 1.00 0.00 C ATOM 783 CD1 TRP A 52 12.378 28.151 34.277 1.00 0.00 C ATOM 784 CD2 TRP A 52 13.840 29.822 33.924 1.00 0.00 C ATOM 785 NE1 TRP A 52 12.659 28.227 32.941 1.00 0.00 N ATOM 786 CE2 TRP A 52 13.544 29.229 32.690 1.00 0.00 C ATOM 787 CE3 TRP A 52 14.739 30.890 33.948 1.00 0.00 C ATOM 788 CZ2 TRP A 52 14.112 29.670 31.507 1.00 0.00 C ATOM 789 CZ3 TRP A 52 15.312 31.335 32.765 1.00 0.00 C ATOM 790 CH2 TRP A 52 15.000 30.729 31.555 1.00 0.00 C ATOM 0 H TRP A 52 14.963 27.553 36.351 1.00 0.00 H new ATOM 0 HA TRP A 52 14.881 30.481 36.809 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.506 28.624 36.913 1.00 0.00 H new ATOM 0 HB3 TRP A 52 12.544 30.345 36.584 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.712 27.438 34.740 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.259 27.615 32.229 1.00 0.00 H new ATOM 0 HE3 TRP A 52 14.988 31.368 34.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 13.867 29.197 30.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 16.008 32.161 32.786 1.00 0.00 H new ATOM 0 HH2 TRP A 52 15.455 31.088 30.644 1.00 0.00 H new ATOM 801 N THR A 53 14.581 30.335 39.257 1.00 0.00 N ATOM 802 CA THR A 53 14.547 30.260 40.713 1.00 0.00 C ATOM 803 C THR A 53 13.358 31.045 41.251 1.00 0.00 C ATOM 804 O THR A 53 12.803 31.899 40.559 1.00 0.00 O ATOM 805 CB THR A 53 15.843 30.818 41.295 1.00 0.00 C ATOM 806 OG1 THR A 53 16.338 31.858 40.466 1.00 0.00 O ATOM 807 CG2 THR A 53 16.892 29.720 41.438 1.00 0.00 C ATOM 0 H THR A 53 14.741 31.272 38.888 1.00 0.00 H new ATOM 0 HA THR A 53 14.444 29.216 41.008 1.00 0.00 H new ATOM 0 HB THR A 53 15.630 31.219 42.286 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.169 32.212 40.847 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.806 30.142 41.855 1.00 0.00 H new ATOM 0 HG22 THR A 53 16.516 28.942 42.102 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.104 29.290 40.459 1.00 0.00 H new ATOM 815 N PHE A 54 12.969 30.752 42.486 1.00 0.00 N ATOM 816 CA PHE A 54 11.842 31.434 43.113 1.00 0.00 C ATOM 817 C PHE A 54 12.049 31.536 44.618 1.00 0.00 C ATOM 818 O PHE A 54 12.036 30.529 45.327 1.00 0.00 O ATOM 819 CB PHE A 54 10.549 30.680 42.819 1.00 0.00 C ATOM 820 CG PHE A 54 9.317 31.482 43.153 1.00 0.00 C ATOM 821 CD1 PHE A 54 8.796 32.371 42.229 1.00 0.00 C ATOM 822 CD2 PHE A 54 8.707 31.330 44.387 1.00 0.00 C ATOM 823 CE1 PHE A 54 7.665 33.108 42.538 1.00 0.00 C ATOM 824 CE2 PHE A 54 7.577 32.068 44.697 1.00 0.00 C ATOM 825 CZ PHE A 54 7.055 32.957 43.772 1.00 0.00 C ATOM 0 H PHE A 54 13.416 30.048 43.073 1.00 0.00 H new ATOM 0 HA PHE A 54 11.774 32.441 42.701 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.525 30.407 41.764 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.538 29.751 43.389 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.272 32.490 41.267 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.113 30.636 45.108 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.258 33.801 41.816 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.103 31.950 45.660 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.173 33.532 44.013 1.00 0.00 H new ATOM 835 N ASP A 55 12.236 32.759 45.102 1.00 0.00 N ATOM 836 CA ASP A 55 12.441 32.996 46.527 1.00 0.00 C ATOM 837 C ASP A 55 11.145 32.758 47.290 1.00 0.00 C ATOM 838 O ASP A 55 10.074 33.187 46.860 1.00 0.00 O ATOM 839 CB ASP A 55 12.922 34.426 46.755 1.00 0.00 C ATOM 840 CG ASP A 55 13.923 34.470 47.901 1.00 0.00 C ATOM 841 OD1 ASP A 55 14.963 33.784 47.811 1.00 0.00 O ATOM 842 OD2 ASP A 55 13.666 35.191 48.888 1.00 0.00 O ATOM 0 H ASP A 55 12.250 33.602 44.528 1.00 0.00 H new ATOM 0 HA ASP A 55 13.199 32.303 46.892 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.383 34.811 45.845 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.073 35.071 46.980 1.00 0.00 H new ATOM 847 N SER A 56 11.244 32.068 48.422 1.00 0.00 N ATOM 848 CA SER A 56 10.074 31.771 49.241 1.00 0.00 C ATOM 849 C SER A 56 10.421 31.853 50.721 1.00 0.00 C ATOM 850 O SER A 56 11.355 31.200 51.187 1.00 0.00 O ATOM 851 CB SER A 56 9.547 30.378 48.908 1.00 0.00 C ATOM 852 OG SER A 56 8.490 30.458 47.964 1.00 0.00 O ATOM 0 H SER A 56 12.122 31.704 48.793 1.00 0.00 H new ATOM 0 HA SER A 56 9.302 32.510 49.024 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.354 29.764 48.508 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.195 29.889 49.816 1.00 0.00 H new ATOM 0 HG SER A 56 7.782 31.037 48.315 1.00 0.00 H new ATOM 858 N GLU A 57 9.658 32.654 51.457 1.00 0.00 N ATOM 859 CA GLU A 57 9.878 32.820 52.889 1.00 0.00 C ATOM 860 C GLU A 57 9.007 31.842 53.667 1.00 0.00 C ATOM 861 O GLU A 57 9.375 31.392 54.752 1.00 0.00 O ATOM 862 CB GLU A 57 9.553 34.252 53.305 1.00 0.00 C ATOM 863 CG GLU A 57 10.771 34.940 53.914 1.00 0.00 C ATOM 864 CD GLU A 57 10.338 36.136 54.752 1.00 0.00 C ATOM 865 OE1 GLU A 57 9.665 37.034 54.205 1.00 0.00 O ATOM 866 OE2 GLU A 57 10.672 36.172 55.955 1.00 0.00 O ATOM 0 H GLU A 57 8.881 33.199 51.085 1.00 0.00 H new ATOM 0 HA GLU A 57 10.925 32.616 53.111 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.209 34.816 52.438 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.736 34.247 54.027 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.324 34.234 54.534 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.446 35.267 53.123 1.00 0.00 H new ATOM 873 N GLU A 58 7.851 31.515 53.099 1.00 0.00 N ATOM 874 CA GLU A 58 6.919 30.585 53.728 1.00 0.00 C ATOM 875 C GLU A 58 7.637 29.297 54.111 1.00 0.00 C ATOM 876 O GLU A 58 8.781 29.073 53.716 1.00 0.00 O ATOM 877 CB GLU A 58 5.775 30.276 52.766 1.00 0.00 C ATOM 878 CG GLU A 58 6.303 29.763 51.428 1.00 0.00 C ATOM 879 CD GLU A 58 6.060 30.796 50.336 1.00 0.00 C ATOM 880 OE1 GLU A 58 4.885 31.019 49.978 1.00 0.00 O ATOM 881 OE2 GLU A 58 7.046 31.381 49.840 1.00 0.00 O ATOM 0 H GLU A 58 7.536 31.882 52.201 1.00 0.00 H new ATOM 0 HA GLU A 58 6.517 31.043 54.632 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.115 29.531 53.209 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.179 31.174 52.605 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.369 29.550 51.507 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.809 28.826 51.169 1.00 0.00 H new ATOM 888 N PRO A 59 6.966 28.424 54.880 1.00 0.00 N ATOM 889 CA PRO A 59 7.512 27.152 55.313 1.00 0.00 C ATOM 890 C PRO A 59 7.167 26.030 54.343 1.00 0.00 C ATOM 891 O PRO A 59 6.563 25.027 54.723 1.00 0.00 O ATOM 892 CB PRO A 59 6.843 26.946 56.665 1.00 0.00 C ATOM 893 CG PRO A 59 5.594 27.764 56.652 1.00 0.00 C ATOM 894 CD PRO A 59 5.605 28.579 55.390 1.00 0.00 C ATOM 0 HA PRO A 59 8.601 27.147 55.363 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.615 25.893 56.828 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.502 27.258 57.475 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.714 27.122 56.687 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.550 28.412 57.527 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.867 28.216 54.674 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.370 29.625 55.588 1.00 0.00 H new ATOM 902 N LEU A 60 7.553 26.214 53.083 1.00 0.00 N ATOM 903 CA LEU A 60 7.289 25.229 52.038 1.00 0.00 C ATOM 904 C LEU A 60 7.666 23.829 52.507 1.00 0.00 C ATOM 905 O LEU A 60 8.815 23.406 52.375 1.00 0.00 O ATOM 906 CB LEU A 60 8.080 25.588 50.783 1.00 0.00 C ATOM 907 CG LEU A 60 9.555 25.812 51.105 1.00 0.00 C ATOM 908 CD1 LEU A 60 10.432 24.867 50.289 1.00 0.00 C ATOM 909 CD2 LEU A 60 9.946 27.264 50.846 1.00 0.00 C ATOM 0 H LEU A 60 8.053 27.042 52.760 1.00 0.00 H new ATOM 0 HA LEU A 60 6.223 25.239 51.811 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.983 24.789 50.048 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.663 26.488 50.332 1.00 0.00 H new ATOM 0 HG LEU A 60 9.711 25.598 52.162 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.480 25.042 50.532 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.172 23.835 50.525 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.271 25.048 49.226 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.001 27.404 51.081 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.773 27.506 49.797 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.344 27.921 51.474 1.00 0.00 H new ATOM 921 N GLN A 61 6.690 23.113 53.055 1.00 0.00 N ATOM 922 CA GLN A 61 6.914 21.757 53.546 1.00 0.00 C ATOM 923 C GLN A 61 6.030 20.769 52.795 1.00 0.00 C ATOM 924 O GLN A 61 5.375 19.922 53.402 1.00 0.00 O ATOM 925 CB GLN A 61 6.619 21.688 55.041 1.00 0.00 C ATOM 926 CG GLN A 61 7.601 20.766 55.756 1.00 0.00 C ATOM 927 CD GLN A 61 8.481 21.567 56.707 1.00 0.00 C ATOM 928 OE1 GLN A 61 9.386 22.282 56.277 1.00 0.00 O ATOM 929 NE2 GLN A 61 8.214 21.448 58.002 1.00 0.00 N ATOM 0 H GLN A 61 5.734 23.450 53.171 1.00 0.00 H new ATOM 0 HA GLN A 61 7.958 21.492 53.376 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.675 22.688 55.472 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.601 21.331 55.197 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.056 20.002 56.310 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.221 20.247 55.025 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.454 20.843 58.312 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.769 21.961 58.686 1.00 0.00 H new ATOM 938 N GLY A 62 6.017 20.885 51.472 1.00 0.00 N ATOM 939 CA GLY A 62 5.214 20.004 50.630 1.00 0.00 C ATOM 940 C GLY A 62 5.643 20.122 49.172 1.00 0.00 C ATOM 941 O GLY A 62 6.709 20.661 48.874 1.00 0.00 O ATOM 0 H GLY A 62 6.555 21.582 50.957 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.323 18.972 50.965 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.159 20.261 50.727 1.00 0.00 H new ATOM 945 N PRO A 63 4.817 19.618 48.241 1.00 0.00 N ATOM 946 CA PRO A 63 5.119 19.670 46.807 1.00 0.00 C ATOM 947 C PRO A 63 4.803 21.035 46.204 1.00 0.00 C ATOM 948 O PRO A 63 3.970 21.777 46.725 1.00 0.00 O ATOM 949 CB PRO A 63 4.224 18.596 46.206 1.00 0.00 C ATOM 950 CG PRO A 63 3.077 18.446 47.155 1.00 0.00 C ATOM 951 CD PRO A 63 3.528 18.956 48.506 1.00 0.00 C ATOM 0 HA PRO A 63 6.178 19.507 46.608 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.876 18.886 45.215 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.763 17.656 46.092 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.213 19.009 46.803 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.771 17.402 47.223 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.804 19.653 48.929 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.640 18.140 49.220 1.00 0.00 H new ATOM 959 N PHE A 64 5.470 21.358 45.101 1.00 0.00 N ATOM 960 CA PHE A 64 5.260 22.631 44.419 1.00 0.00 C ATOM 961 C PHE A 64 4.379 22.424 43.198 1.00 0.00 C ATOM 962 O PHE A 64 3.862 21.330 42.972 1.00 0.00 O ATOM 963 CB PHE A 64 6.602 23.227 43.995 1.00 0.00 C ATOM 964 CG PHE A 64 7.397 23.784 45.148 1.00 0.00 C ATOM 965 CD1 PHE A 64 6.903 24.849 45.885 1.00 0.00 C ATOM 966 CD2 PHE A 64 8.626 23.232 45.471 1.00 0.00 C ATOM 967 CE1 PHE A 64 7.637 25.359 46.943 1.00 0.00 C ATOM 968 CE2 PHE A 64 9.359 23.742 46.528 1.00 0.00 C ATOM 969 CZ PHE A 64 8.865 24.805 47.265 1.00 0.00 C ATOM 0 H PHE A 64 6.163 20.754 44.659 1.00 0.00 H new ATOM 0 HA PHE A 64 4.767 23.321 45.103 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.191 22.459 43.494 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.426 24.019 43.267 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.946 25.281 45.634 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.012 22.403 44.897 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.252 26.189 47.517 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.317 23.311 46.778 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.437 25.202 48.091 1.00 0.00 H new ATOM 979 N ASN A 65 4.207 23.479 42.412 1.00 0.00 N ATOM 980 CA ASN A 65 3.383 23.406 41.215 1.00 0.00 C ATOM 981 C ASN A 65 3.910 24.366 40.158 1.00 0.00 C ATOM 982 O ASN A 65 3.963 25.576 40.376 1.00 0.00 O ATOM 983 CB ASN A 65 1.932 23.746 41.555 1.00 0.00 C ATOM 984 CG ASN A 65 1.522 23.094 42.871 1.00 0.00 C ATOM 985 OD1 ASN A 65 0.814 22.087 42.883 1.00 0.00 O ATOM 986 ND2 ASN A 65 1.970 23.669 43.982 1.00 0.00 N ATOM 0 H ASN A 65 4.627 24.393 42.582 1.00 0.00 H new ATOM 0 HA ASN A 65 3.424 22.391 40.821 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.813 24.827 41.626 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.276 23.405 40.754 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.729 23.276 44.892 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.555 24.503 43.925 1.00 0.00 H new ATOM 993 N PHE A 66 4.302 23.818 39.014 1.00 0.00 N ATOM 994 CA PHE A 66 4.830 24.624 37.921 1.00 0.00 C ATOM 995 C PHE A 66 3.827 24.694 36.781 1.00 0.00 C ATOM 996 O PHE A 66 2.895 23.895 36.713 1.00 0.00 O ATOM 997 CB PHE A 66 6.137 24.025 37.418 1.00 0.00 C ATOM 998 CG PHE A 66 7.344 24.543 38.160 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.892 25.771 37.825 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.906 23.791 39.178 1.00 0.00 C ATOM 1001 CE1 PHE A 66 9.000 26.245 38.508 1.00 0.00 C ATOM 1002 CE2 PHE A 66 9.014 24.265 39.860 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.561 25.492 39.525 1.00 0.00 C ATOM 0 H PHE A 66 4.264 22.817 38.819 1.00 0.00 H new ATOM 0 HA PHE A 66 5.014 25.633 38.291 1.00 0.00 H new ATOM 0 HB2 PHE A 66 6.095 22.940 37.515 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.247 24.246 36.356 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.455 26.359 37.031 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.480 22.834 39.440 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.426 27.202 38.247 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.452 23.677 40.653 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.425 25.862 40.057 1.00 0.00 H new ATOM 1013 N ARG A 67 4.027 25.654 35.885 1.00 0.00 N ATOM 1014 CA ARG A 67 3.143 25.835 34.739 1.00 0.00 C ATOM 1015 C ARG A 67 3.817 26.707 33.690 1.00 0.00 C ATOM 1016 O ARG A 67 3.608 27.920 33.653 1.00 0.00 O ATOM 1017 CB ARG A 67 1.837 26.481 35.187 1.00 0.00 C ATOM 1018 CG ARG A 67 0.783 25.427 35.512 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.605 26.051 35.630 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.230 26.154 34.316 1.00 0.00 N ATOM 1021 CZ ARG A 67 -2.237 26.990 34.085 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.366 26.878 34.771 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -2.115 27.940 33.168 1.00 0.00 N ATOM 0 H ARG A 67 4.797 26.322 35.931 1.00 0.00 H new ATOM 0 HA ARG A 67 2.928 24.859 34.303 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.018 27.101 36.065 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.466 27.140 34.402 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.776 24.664 34.734 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.040 24.928 36.446 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.228 25.446 36.289 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.529 27.040 36.082 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.885 25.569 33.555 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.463 26.149 35.478 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.137 27.521 34.592 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.248 28.030 32.639 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.889 28.581 32.992 1.00 0.00 H new ATOM 1037 N PHE A 68 4.628 26.088 32.839 1.00 0.00 N ATOM 1038 CA PHE A 68 5.332 26.824 31.794 1.00 0.00 C ATOM 1039 C PHE A 68 4.387 27.184 30.662 1.00 0.00 C ATOM 1040 O PHE A 68 3.252 26.711 30.604 1.00 0.00 O ATOM 1041 CB PHE A 68 6.504 26.013 31.245 1.00 0.00 C ATOM 1042 CG PHE A 68 6.184 24.552 31.052 1.00 0.00 C ATOM 1043 CD1 PHE A 68 5.438 24.143 29.959 1.00 0.00 C ATOM 1044 CD2 PHE A 68 6.638 23.616 31.967 1.00 0.00 C ATOM 1045 CE1 PHE A 68 5.147 22.801 29.781 1.00 0.00 C ATOM 1046 CE2 PHE A 68 6.347 22.274 31.789 1.00 0.00 C ATOM 1047 CZ PHE A 68 5.602 21.866 30.696 1.00 0.00 C ATOM 0 H PHE A 68 4.814 25.085 32.851 1.00 0.00 H new ATOM 0 HA PHE A 68 5.719 27.740 32.240 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.815 26.438 30.291 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.350 26.105 31.926 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.083 24.871 29.245 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.219 23.933 32.820 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.565 22.483 28.928 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.701 21.545 32.503 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.376 20.819 30.557 1.00 0.00 H new ATOM 1057 N LEU A 69 4.872 28.029 29.765 1.00 0.00 N ATOM 1058 CA LEU A 69 4.089 28.474 28.620 1.00 0.00 C ATOM 1059 C LEU A 69 4.946 28.390 27.365 1.00 0.00 C ATOM 1060 O LEU A 69 5.051 29.360 26.615 1.00 0.00 O ATOM 1061 CB LEU A 69 3.611 29.916 28.829 1.00 0.00 C ATOM 1062 CG LEU A 69 3.326 30.219 30.303 1.00 0.00 C ATOM 1063 CD1 LEU A 69 3.166 31.721 30.519 1.00 0.00 C ATOM 1064 CD2 LEU A 69 2.078 29.476 30.771 1.00 0.00 C ATOM 0 H LEU A 69 5.812 28.424 29.808 1.00 0.00 H new ATOM 0 HA LEU A 69 3.215 27.832 28.512 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.368 30.606 28.457 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.708 30.087 28.243 1.00 0.00 H new ATOM 0 HG LEU A 69 4.174 29.874 30.895 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.964 31.918 31.572 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.083 32.231 30.224 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.336 32.089 29.915 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.891 29.703 31.821 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.222 29.790 30.174 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.228 28.403 30.653 1.00 0.00 H new ATOM 1076 N THR A 70 5.568 27.218 27.169 1.00 0.00 N ATOM 1077 CA THR A 70 6.460 26.934 26.029 1.00 0.00 C ATOM 1078 C THR A 70 6.202 27.841 24.828 1.00 0.00 C ATOM 1079 O THR A 70 5.055 28.116 24.474 1.00 0.00 O ATOM 1080 CB THR A 70 6.299 25.476 25.608 1.00 0.00 C ATOM 1081 OG1 THR A 70 4.924 25.127 25.588 1.00 0.00 O ATOM 1082 CG2 THR A 70 7.059 24.552 26.554 1.00 0.00 C ATOM 0 H THR A 70 5.466 26.428 27.806 1.00 0.00 H new ATOM 0 HA THR A 70 7.478 27.130 26.364 1.00 0.00 H new ATOM 0 HB THR A 70 6.714 25.358 24.607 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.450 25.702 24.952 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.930 23.518 26.234 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.119 24.807 26.538 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.672 24.670 27.566 1.00 0.00 H new ATOM 1090 N GLU A 71 7.286 28.302 24.209 1.00 0.00 N ATOM 1091 CA GLU A 71 7.199 29.180 23.048 1.00 0.00 C ATOM 1092 C GLU A 71 6.363 28.526 21.957 1.00 0.00 C ATOM 1093 O GLU A 71 5.689 29.206 21.184 1.00 0.00 O ATOM 1094 CB GLU A 71 8.599 29.487 22.520 1.00 0.00 C ATOM 1095 CG GLU A 71 9.529 29.945 23.643 1.00 0.00 C ATOM 1096 CD GLU A 71 9.839 31.429 23.498 1.00 0.00 C ATOM 1097 OE1 GLU A 71 8.888 32.222 23.332 1.00 0.00 O ATOM 1098 OE2 GLU A 71 11.031 31.797 23.551 1.00 0.00 O ATOM 0 H GLU A 71 8.239 28.080 24.495 1.00 0.00 H new ATOM 0 HA GLU A 71 6.720 30.112 23.347 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.012 28.599 22.042 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.540 30.262 21.756 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.063 29.756 24.610 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.454 29.369 23.617 1.00 0.00 H new ATOM 1105 N LYS A 72 6.412 27.200 21.903 1.00 0.00 N ATOM 1106 CA LYS A 72 5.659 26.441 20.911 1.00 0.00 C ATOM 1107 C LYS A 72 5.310 25.064 21.458 1.00 0.00 C ATOM 1108 O LYS A 72 5.853 24.053 21.012 1.00 0.00 O ATOM 1109 CB LYS A 72 6.476 26.301 19.630 1.00 0.00 C ATOM 1110 CG LYS A 72 5.706 25.526 18.564 1.00 0.00 C ATOM 1111 CD LYS A 72 4.325 26.132 18.330 1.00 0.00 C ATOM 1112 CE LYS A 72 3.596 25.425 17.191 1.00 0.00 C ATOM 1113 NZ LYS A 72 2.839 26.394 16.349 1.00 0.00 N ATOM 0 H LYS A 72 6.968 26.626 22.537 1.00 0.00 H new ATOM 0 HA LYS A 72 4.736 26.975 20.687 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.733 27.290 19.250 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.414 25.790 19.848 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.270 25.528 17.631 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.602 24.485 18.871 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.734 26.060 19.243 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.425 27.192 18.098 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.316 24.888 16.573 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.911 24.683 17.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.354 25.884 15.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.136 26.888 16.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.498 27.087 15.940 1.00 0.00 H new ATOM 1127 N GLY A 73 4.404 25.030 22.429 1.00 0.00 N ATOM 1128 CA GLY A 73 3.985 23.774 23.040 1.00 0.00 C ATOM 1129 C GLY A 73 2.553 23.870 23.546 1.00 0.00 C ATOM 1130 O GLY A 73 1.602 23.702 22.783 1.00 0.00 O ATOM 0 H GLY A 73 3.946 25.858 22.810 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.065 22.966 22.313 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.651 23.526 23.866 1.00 0.00 H new ATOM 1134 N MET A 74 2.404 24.138 24.840 1.00 0.00 N ATOM 1135 CA MET A 74 1.086 24.253 25.456 1.00 0.00 C ATOM 1136 C MET A 74 1.219 24.382 26.967 1.00 0.00 C ATOM 1137 O MET A 74 2.287 24.137 27.528 1.00 0.00 O ATOM 1138 CB MET A 74 0.245 23.025 25.116 1.00 0.00 C ATOM 1139 CG MET A 74 1.054 21.741 25.282 1.00 0.00 C ATOM 1140 SD MET A 74 0.082 20.265 24.939 1.00 0.00 S ATOM 1141 CE MET A 74 0.051 20.289 23.140 1.00 0.00 C ATOM 0 H MET A 74 3.182 24.280 25.484 1.00 0.00 H new ATOM 0 HA MET A 74 0.595 25.145 25.067 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.633 22.991 25.762 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.116 23.101 24.090 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.915 21.769 24.614 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.442 21.689 26.299 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.970 20.135 22.792 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.415 21.252 22.783 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.689 19.494 22.754 1.00 0.00 H new ATOM 1151 N LYS A 75 0.129 24.763 27.623 1.00 0.00 N ATOM 1152 CA LYS A 75 0.125 24.918 29.076 1.00 0.00 C ATOM 1153 C LYS A 75 -0.115 23.567 29.739 1.00 0.00 C ATOM 1154 O LYS A 75 -0.817 22.716 29.193 1.00 0.00 O ATOM 1155 CB LYS A 75 -0.962 25.906 29.509 1.00 0.00 C ATOM 1156 CG LYS A 75 -1.153 27.031 28.492 1.00 0.00 C ATOM 1157 CD LYS A 75 0.177 27.678 28.118 1.00 0.00 C ATOM 1158 CE LYS A 75 -0.014 29.140 27.725 1.00 0.00 C ATOM 1159 NZ LYS A 75 -0.865 29.267 26.508 1.00 0.00 N ATOM 0 H LYS A 75 -0.763 24.970 27.174 1.00 0.00 H new ATOM 0 HA LYS A 75 1.095 25.308 29.386 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.904 25.373 29.641 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.699 26.333 30.477 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.631 26.636 27.596 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.823 27.786 28.904 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.866 27.612 28.960 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.630 27.132 27.291 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.473 29.684 28.551 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.957 29.599 27.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.921 30.267 26.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.448 28.712 25.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.820 28.911 26.714 1.00 0.00 H new ATOM 1173 N ASN A 76 0.470 23.372 30.916 1.00 0.00 N ATOM 1174 CA ASN A 76 0.314 22.117 31.648 1.00 0.00 C ATOM 1175 C ASN A 76 0.523 22.341 33.140 1.00 0.00 C ATOM 1176 O ASN A 76 1.488 22.987 33.552 1.00 0.00 O ATOM 1177 CB ASN A 76 1.312 21.085 31.130 1.00 0.00 C ATOM 1178 CG ASN A 76 0.952 20.671 29.709 1.00 0.00 C ATOM 1179 OD1 ASN A 76 1.276 21.369 28.748 1.00 0.00 O ATOM 1180 ND2 ASN A 76 0.279 19.534 29.575 1.00 0.00 N ATOM 0 H ASN A 76 1.055 24.064 31.384 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.699 21.745 31.491 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.320 21.500 31.151 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.314 20.211 31.782 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.010 19.207 28.647 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.032 18.988 30.400 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.388 21.806 33.948 1.00 0.00 N ATOM 1188 CA VAL A 77 -0.306 21.949 35.399 1.00 0.00 C ATOM 1189 C VAL A 77 0.335 20.719 36.023 1.00 0.00 C ATOM 1190 O VAL A 77 0.176 19.601 35.534 1.00 0.00 O ATOM 1191 CB VAL A 77 -1.701 22.168 35.982 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -1.647 22.243 37.507 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.321 23.437 35.410 1.00 0.00 C ATOM 0 H VAL A 77 -1.192 21.269 33.623 1.00 0.00 H new ATOM 0 HA VAL A 77 0.315 22.815 35.628 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.324 21.318 35.704 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.652 22.399 37.899 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.244 21.311 37.903 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.007 23.072 37.808 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.315 23.580 35.835 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.694 24.293 35.659 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.399 23.347 34.326 1.00 0.00 H new ATOM 1203 N PHE A 78 1.071 20.943 37.105 1.00 0.00 N ATOM 1204 CA PHE A 78 1.756 19.876 37.808 1.00 0.00 C ATOM 1205 C PHE A 78 1.473 19.961 39.304 1.00 0.00 C ATOM 1206 O PHE A 78 1.545 21.035 39.900 1.00 0.00 O ATOM 1207 CB PHE A 78 3.246 20.004 37.541 1.00 0.00 C ATOM 1208 CG PHE A 78 3.554 20.146 36.071 1.00 0.00 C ATOM 1209 CD1 PHE A 78 3.371 19.073 35.213 1.00 0.00 C ATOM 1210 CD2 PHE A 78 4.007 21.356 35.573 1.00 0.00 C ATOM 1211 CE1 PHE A 78 3.639 19.212 33.863 1.00 0.00 C ATOM 1212 CE2 PHE A 78 4.278 21.494 34.222 1.00 0.00 C ATOM 1213 CZ PHE A 78 4.094 20.421 33.367 1.00 0.00 C ATOM 0 H PHE A 78 1.207 21.867 37.515 1.00 0.00 H new ATOM 0 HA PHE A 78 1.400 18.909 37.454 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.636 20.869 38.077 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.760 19.127 37.935 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.019 18.128 35.599 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.149 22.194 36.240 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.493 18.376 33.195 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.633 22.438 33.836 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.305 20.527 32.313 1.00 0.00 H new ATOM 1223 N ASP A 79 1.146 18.821 39.905 1.00 0.00 N ATOM 1224 CA ASP A 79 0.845 18.763 41.334 1.00 0.00 C ATOM 1225 C ASP A 79 1.695 17.696 42.012 1.00 0.00 C ATOM 1226 O ASP A 79 1.269 17.071 42.983 1.00 0.00 O ATOM 1227 CB ASP A 79 -0.635 18.458 41.543 1.00 0.00 C ATOM 1228 CG ASP A 79 -1.078 18.919 42.925 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -1.464 20.098 43.064 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -1.037 18.100 43.868 1.00 0.00 O ATOM 0 H ASP A 79 1.082 17.923 39.425 1.00 0.00 H new ATOM 0 HA ASP A 79 1.077 19.731 41.779 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.228 18.958 40.778 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.812 17.388 41.435 1.00 0.00 H new ATOM 1235 N ASP A 80 2.899 17.498 41.492 1.00 0.00 N ATOM 1236 CA ASP A 80 3.825 16.511 42.036 1.00 0.00 C ATOM 1237 C ASP A 80 5.202 16.716 41.424 1.00 0.00 C ATOM 1238 O ASP A 80 5.804 15.785 40.888 1.00 0.00 O ATOM 1239 CB ASP A 80 3.324 15.101 41.736 1.00 0.00 C ATOM 1240 CG ASP A 80 3.083 14.937 40.241 1.00 0.00 C ATOM 1241 OD1 ASP A 80 2.077 15.479 39.737 1.00 0.00 O ATOM 1242 OD2 ASP A 80 3.901 14.266 39.576 1.00 0.00 O ATOM 0 H ASP A 80 3.260 18.012 40.688 1.00 0.00 H new ATOM 0 HA ASP A 80 3.889 16.636 43.117 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.054 14.367 42.077 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.401 14.911 42.284 1.00 0.00 H new ATOM 1247 N VAL A 81 5.685 17.950 41.495 1.00 0.00 N ATOM 1248 CA VAL A 81 6.983 18.304 40.935 1.00 0.00 C ATOM 1249 C VAL A 81 8.091 18.212 41.984 1.00 0.00 C ATOM 1250 O VAL A 81 9.272 18.255 41.643 1.00 0.00 O ATOM 1251 CB VAL A 81 6.916 19.715 40.365 1.00 0.00 C ATOM 1252 CG1 VAL A 81 8.243 20.102 39.729 1.00 0.00 C ATOM 1253 CG2 VAL A 81 5.788 19.822 39.342 1.00 0.00 C ATOM 0 H VAL A 81 5.194 18.727 41.938 1.00 0.00 H new ATOM 0 HA VAL A 81 7.222 17.595 40.143 1.00 0.00 H new ATOM 0 HB VAL A 81 6.713 20.405 41.184 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.173 21.113 39.328 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.032 20.063 40.480 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.476 19.407 38.922 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.753 20.836 38.944 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.967 19.119 38.529 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.838 19.588 39.822 1.00 0.00 H new ATOM 1263 N VAL A 82 7.716 18.085 43.256 1.00 0.00 N ATOM 1264 CA VAL A 82 8.699 17.988 44.332 1.00 0.00 C ATOM 1265 C VAL A 82 8.096 17.298 45.553 1.00 0.00 C ATOM 1266 O VAL A 82 6.934 17.518 45.888 1.00 0.00 O ATOM 1267 CB VAL A 82 9.194 19.380 44.719 1.00 0.00 C ATOM 1268 CG1 VAL A 82 10.213 19.293 45.854 1.00 0.00 C ATOM 1269 CG2 VAL A 82 9.800 20.088 43.512 1.00 0.00 C ATOM 0 H VAL A 82 6.745 18.047 43.565 1.00 0.00 H new ATOM 0 HA VAL A 82 9.540 17.394 43.974 1.00 0.00 H new ATOM 0 HB VAL A 82 8.340 19.961 45.067 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.553 20.295 46.115 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.749 18.829 46.725 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.064 18.693 45.533 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.147 21.078 43.807 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.641 19.507 43.134 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.046 20.186 42.731 1.00 0.00 H new ATOM 1279 N PRO A 83 8.886 16.450 46.236 1.00 0.00 N ATOM 1280 CA PRO A 83 8.430 15.728 47.429 1.00 0.00 C ATOM 1281 C PRO A 83 8.497 16.597 48.680 1.00 0.00 C ATOM 1282 O PRO A 83 8.667 17.813 48.593 1.00 0.00 O ATOM 1283 CB PRO A 83 9.401 14.561 47.539 1.00 0.00 C ATOM 1284 CG PRO A 83 10.652 15.007 46.849 1.00 0.00 C ATOM 1285 CD PRO A 83 10.283 16.127 45.904 1.00 0.00 C ATOM 0 HA PRO A 83 7.388 15.418 47.345 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.597 14.312 48.582 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.993 13.666 47.069 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.389 15.348 47.576 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.103 14.179 46.302 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.933 16.991 46.041 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.381 15.816 44.864 1.00 0.00 H new ATOM 1293 N GLU A 84 8.370 15.967 49.843 1.00 0.00 N ATOM 1294 CA GLU A 84 8.426 16.684 51.112 1.00 0.00 C ATOM 1295 C GLU A 84 9.872 17.003 51.472 1.00 0.00 C ATOM 1296 O GLU A 84 10.149 17.977 52.172 1.00 0.00 O ATOM 1297 CB GLU A 84 7.787 15.847 52.217 1.00 0.00 C ATOM 1298 CG GLU A 84 8.509 14.514 52.389 1.00 0.00 C ATOM 1299 CD GLU A 84 8.314 13.988 53.805 1.00 0.00 C ATOM 1300 OE1 GLU A 84 7.168 14.026 54.301 1.00 0.00 O ATOM 1301 OE2 GLU A 84 9.307 13.539 54.415 1.00 0.00 O ATOM 0 H GLU A 84 8.228 14.961 49.933 1.00 0.00 H new ATOM 0 HA GLU A 84 7.873 17.618 51.011 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.811 16.400 53.156 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.738 15.667 51.980 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.128 13.790 51.669 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.572 14.639 52.183 1.00 0.00 H new ATOM 1308 N LYS A 85 10.792 16.176 50.982 1.00 0.00 N ATOM 1309 CA LYS A 85 12.215 16.365 51.243 1.00 0.00 C ATOM 1310 C LYS A 85 13.021 16.057 49.987 1.00 0.00 C ATOM 1311 O LYS A 85 13.680 15.022 49.896 1.00 0.00 O ATOM 1312 CB LYS A 85 12.662 15.457 52.385 1.00 0.00 C ATOM 1313 CG LYS A 85 12.177 14.026 52.175 1.00 0.00 C ATOM 1314 CD LYS A 85 13.349 13.070 51.980 1.00 0.00 C ATOM 1315 CE LYS A 85 13.664 12.313 53.267 1.00 0.00 C ATOM 1316 NZ LYS A 85 14.951 12.768 53.864 1.00 0.00 N ATOM 0 H LYS A 85 10.576 15.366 50.400 1.00 0.00 H new ATOM 0 HA LYS A 85 12.387 17.403 51.528 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.750 15.468 52.457 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.276 15.840 53.330 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.585 13.710 53.034 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.522 13.985 51.305 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.115 12.361 51.186 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.228 13.629 51.659 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.856 12.460 53.984 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.715 11.244 53.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.136 12.234 54.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.724 12.605 53.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.892 13.783 54.084 1.00 0.00 H new ATOM 1330 N TYR A 86 12.956 16.964 49.017 1.00 0.00 N ATOM 1331 CA TYR A 86 13.670 16.797 47.755 1.00 0.00 C ATOM 1332 C TYR A 86 15.164 16.621 47.998 1.00 0.00 C ATOM 1333 O TYR A 86 15.641 16.746 49.126 1.00 0.00 O ATOM 1334 CB TYR A 86 13.435 18.012 46.863 1.00 0.00 C ATOM 1335 CG TYR A 86 14.056 19.270 47.416 1.00 0.00 C ATOM 1336 CD1 TYR A 86 13.377 20.022 48.360 1.00 0.00 C ATOM 1337 CD2 TYR A 86 15.308 19.673 46.985 1.00 0.00 C ATOM 1338 CE1 TYR A 86 13.949 21.175 48.870 1.00 0.00 C ATOM 1339 CE2 TYR A 86 15.878 20.828 47.495 1.00 0.00 C ATOM 1340 CZ TYR A 86 15.196 21.572 48.435 1.00 0.00 C ATOM 1341 OH TYR A 86 15.764 22.718 48.943 1.00 0.00 O ATOM 0 H TYR A 86 12.414 17.826 49.081 1.00 0.00 H new ATOM 0 HA TYR A 86 13.291 15.902 47.261 1.00 0.00 H new ATOM 0 HB2 TYR A 86 13.845 17.815 45.872 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.363 18.165 46.740 1.00 0.00 H new ATOM 0 HD1 TYR A 86 12.400 19.709 48.699 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.841 19.087 46.251 1.00 0.00 H new ATOM 0 HE1 TYR A 86 13.420 21.762 49.606 1.00 0.00 H new ATOM 0 HE2 TYR A 86 16.854 21.145 47.157 1.00 0.00 H new ATOM 0 HH TYR A 86 16.644 22.856 48.534 1.00 0.00 H new ATOM 1351 N THR A 87 15.896 16.335 46.926 1.00 0.00 N ATOM 1352 CA THR A 87 17.341 16.145 47.003 1.00 0.00 C ATOM 1353 C THR A 87 17.986 16.505 45.672 1.00 0.00 C ATOM 1354 O THR A 87 17.762 15.838 44.661 1.00 0.00 O ATOM 1355 CB THR A 87 17.661 14.696 47.362 1.00 0.00 C ATOM 1356 OG1 THR A 87 16.516 14.069 47.917 1.00 0.00 O ATOM 1357 CG2 THR A 87 18.824 14.627 48.347 1.00 0.00 C ATOM 0 H THR A 87 15.510 16.229 45.988 1.00 0.00 H new ATOM 0 HA THR A 87 17.741 16.798 47.779 1.00 0.00 H new ATOM 0 HB THR A 87 17.950 14.171 46.451 1.00 0.00 H new ATOM 0 HG1 THR A 87 15.842 13.941 47.217 1.00 0.00 H new ATOM 0 HG21 THR A 87 19.035 13.585 48.589 1.00 0.00 H new ATOM 0 HG22 THR A 87 19.708 15.081 47.899 1.00 0.00 H new ATOM 0 HG23 THR A 87 18.562 15.165 49.258 1.00 0.00 H new ATOM 1365 N ILE A 88 18.783 17.569 45.675 1.00 0.00 N ATOM 1366 CA ILE A 88 19.460 18.031 44.467 1.00 0.00 C ATOM 1367 C ILE A 88 20.152 16.872 43.756 1.00 0.00 C ATOM 1368 O ILE A 88 21.158 16.349 44.235 1.00 0.00 O ATOM 1369 CB ILE A 88 20.479 19.108 44.829 1.00 0.00 C ATOM 1370 CG1 ILE A 88 19.785 20.284 45.511 1.00 0.00 C ATOM 1371 CG2 ILE A 88 21.232 19.580 43.590 1.00 0.00 C ATOM 1372 CD1 ILE A 88 20.078 20.306 47.008 1.00 0.00 C ATOM 0 H ILE A 88 18.977 18.130 46.504 1.00 0.00 H new ATOM 0 HA ILE A 88 18.716 18.450 43.790 1.00 0.00 H new ATOM 0 HB ILE A 88 21.202 18.678 45.522 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.118 21.218 45.059 1.00 0.00 H new ATOM 0 HG13 ILE A 88 18.709 20.218 45.349 1.00 0.00 H new ATOM 0 HG21 ILE A 88 21.953 20.347 43.873 1.00 0.00 H new ATOM 0 HG22 ILE A 88 21.757 18.737 43.140 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.525 19.993 42.870 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.570 21.155 47.466 1.00 0.00 H new ATOM 0 HD12 ILE A 88 19.721 19.382 47.462 1.00 0.00 H new ATOM 0 HD13 ILE A 88 21.152 20.397 47.167 1.00 0.00 H new ATOM 1384 N GLY A 89 19.607 16.480 42.607 1.00 0.00 N ATOM 1385 CA GLY A 89 20.172 15.385 41.823 1.00 0.00 C ATOM 1386 C GLY A 89 19.151 14.272 41.624 1.00 0.00 C ATOM 1387 O GLY A 89 19.430 13.106 41.905 1.00 0.00 O ATOM 0 H GLY A 89 18.775 16.905 42.198 1.00 0.00 H new ATOM 0 HA2 GLY A 89 20.501 15.759 40.853 1.00 0.00 H new ATOM 0 HA3 GLY A 89 21.053 14.989 42.327 1.00 0.00 H new ATOM 1391 N ALA A 90 17.967 14.634 41.137 1.00 0.00 N ATOM 1392 CA ALA A 90 16.908 13.656 40.901 1.00 0.00 C ATOM 1393 C ALA A 90 15.667 14.330 40.327 1.00 0.00 C ATOM 1394 O ALA A 90 15.382 15.489 40.628 1.00 0.00 O ATOM 1395 CB ALA A 90 16.556 12.952 42.209 1.00 0.00 C ATOM 0 H ALA A 90 17.717 15.594 40.899 1.00 0.00 H new ATOM 0 HA ALA A 90 17.268 12.924 40.178 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.766 12.223 42.029 1.00 0.00 H new ATOM 0 HB2 ALA A 90 17.438 12.442 42.597 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.213 13.687 42.937 1.00 0.00 H new ATOM 1401 N THR A 91 14.926 13.592 39.503 1.00 0.00 N ATOM 1402 CA THR A 91 13.706 14.112 38.890 1.00 0.00 C ATOM 1403 C THR A 91 12.501 13.759 39.753 1.00 0.00 C ATOM 1404 O THR A 91 12.388 12.635 40.243 1.00 0.00 O ATOM 1405 CB THR A 91 13.534 13.531 37.489 1.00 0.00 C ATOM 1406 OG1 THR A 91 14.740 13.672 36.755 1.00 0.00 O ATOM 1407 CG2 THR A 91 12.392 14.225 36.754 1.00 0.00 C ATOM 0 H THR A 91 15.150 12.631 39.244 1.00 0.00 H new ATOM 0 HA THR A 91 13.783 15.197 38.814 1.00 0.00 H new ATOM 0 HB THR A 91 13.292 12.472 37.581 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.623 13.296 35.858 1.00 0.00 H new ATOM 0 HG21 THR A 91 12.287 13.796 35.758 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.464 14.086 37.309 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.608 15.290 36.669 1.00 0.00 H new ATOM 1415 N TYR A 92 11.614 14.728 39.957 1.00 0.00 N ATOM 1416 CA TYR A 92 10.433 14.518 40.783 1.00 0.00 C ATOM 1417 C TYR A 92 9.146 14.709 39.984 1.00 0.00 C ATOM 1418 O TYR A 92 8.111 14.136 40.324 1.00 0.00 O ATOM 1419 CB TYR A 92 10.472 15.490 41.953 1.00 0.00 C ATOM 1420 CG TYR A 92 11.634 15.233 42.879 1.00 0.00 C ATOM 1421 CD1 TYR A 92 11.691 14.062 43.616 1.00 0.00 C ATOM 1422 CD2 TYR A 92 12.653 16.165 42.987 1.00 0.00 C ATOM 1423 CE1 TYR A 92 12.764 13.825 44.458 1.00 0.00 C ATOM 1424 CE2 TYR A 92 13.725 15.926 43.831 1.00 0.00 C ATOM 1425 CZ TYR A 92 13.775 14.757 44.562 1.00 0.00 C ATOM 1426 OH TYR A 92 14.841 14.520 45.399 1.00 0.00 O ATOM 0 H TYR A 92 11.692 15.665 39.562 1.00 0.00 H new ATOM 0 HA TYR A 92 10.440 13.491 41.147 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.534 16.509 41.572 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.541 15.415 42.514 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.898 13.333 43.534 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.612 17.079 42.413 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.809 12.912 45.033 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.519 16.653 43.917 1.00 0.00 H new ATOM 0 HH TYR A 92 15.678 14.668 44.912 1.00 0.00 H new ATOM 1436 N ALA A 93 9.206 15.515 38.927 1.00 0.00 N ATOM 1437 CA ALA A 93 8.031 15.772 38.094 1.00 0.00 C ATOM 1438 C ALA A 93 7.349 14.465 37.704 1.00 0.00 C ATOM 1439 O ALA A 93 7.881 13.382 37.949 1.00 0.00 O ATOM 1440 CB ALA A 93 8.432 16.539 36.839 1.00 0.00 C ATOM 0 H ALA A 93 10.051 16.000 38.627 1.00 0.00 H new ATOM 0 HA ALA A 93 7.329 16.373 38.672 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.549 16.724 36.228 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.883 17.490 37.122 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.152 15.952 36.268 1.00 0.00 H new ATOM 1446 N PRO A 94 6.156 14.551 37.090 1.00 0.00 N ATOM 1447 CA PRO A 94 5.398 13.366 36.666 1.00 0.00 C ATOM 1448 C PRO A 94 5.977 12.740 35.402 1.00 0.00 C ATOM 1449 O PRO A 94 6.497 11.607 35.484 1.00 0.00 O ATOM 1450 CB PRO A 94 3.995 13.899 36.411 1.00 0.00 C ATOM 1451 CG PRO A 94 4.167 15.351 36.103 1.00 0.00 C ATOM 1452 CD PRO A 94 5.451 15.802 36.760 1.00 0.00 C ATOM 0 HA PRO A 94 5.425 12.576 37.416 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.522 13.375 35.580 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.357 13.756 37.283 1.00 0.00 H new ATOM 0 HG2 PRO A 94 4.209 15.513 35.026 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.321 15.926 36.479 1.00 0.00 H new ATOM 0 HD2 PRO A 94 6.042 16.426 36.089 1.00 0.00 H new ATOM 0 HD3 PRO A 94 5.253 16.394 37.654 1.00 0.00 H new