USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1122 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 67 HIS : no HE2:sc= -0.524 K(o=1,f=-11!) USER MOD Set 1.2: B 69 ASN : amide:sc= 1.52 K(o=1,f=-13!) USER MOD Set 2.1: A 69 ASN : amide:sc= 0.988 K(o=-2.8,f=-8.7!) USER MOD Set 2.2: B 67 HIS : no HE2:sc= -3.74! C(o=-2.8!,f=-4.2!) USER MOD Set 3.1: B 37 HIS : no HD1:sc= -0.0196 X(o=-0.055,f=-0.17) USER MOD Set 3.2: B 40 THR OG1 : rot 85:sc= -0.0351 USER MOD Set 4.1: B 9 HIS : no HD1:sc= -0.288 K(o=-4.6,f=-12!) USER MOD Set 4.2: B 15 CYS SG : rot 11:sc= -4.35! USER MOD Set 5.1: A 37 HIS : no HD1:sc= 0.635 K(o=0.6,f=-7.3!) USER MOD Set 5.2: A 40 THR OG1 : rot 180:sc= -0.0319 USER MOD Single : A 3 SER OG : rot 166:sc= 0.999 USER MOD Single : A 4 LYS NZ :NH3+ -163:sc= 1.17 (180deg=0.907) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0.636 K(o=0.64,f=-7.1!) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.11 USER MOD Single : A 15 CYS SG : rot 170:sc= -6.06! USER MOD Single : A 17 SER OG : rot 79:sc= 0.157 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 24 ASN : amide:sc= -0.997 K(o=-1,f=0) USER MOD Single : A 29 SER OG : rot 82:sc= 0.494 USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 1.02 (180deg=0.921) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0685) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0566) USER MOD Single : A 55 SER OG : rot 160:sc= -0.458 USER MOD Single : A 78 LYS NZ :NH3+ 153:sc= 1.21 (180deg=1.01) USER MOD Single : B 3 SER OG : rot -170:sc= 1.1 USER MOD Single : B 4 LYS NZ :NH3+ -176:sc= 1.19 (180deg=1.17) USER MOD Single : B 8 TYR OH : rot 30:sc= -0.093 USER MOD Single : B 12 CYS SG : rot 180:sc= -0.0216 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= -0.0509 X(o=-0.051,f=-0.54) USER MOD Single : B 24 ASN : amide:sc= -0.0315 K(o=-0.032,f=-1.9) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 178:sc= 1.11 (180deg=1.07) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 167:sc= -0.0859 (180deg=-0.361) USER MOD Single : B 50 LYS NZ :NH3+ 142:sc= 0.784 (180deg=-0.28) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 SER OG : rot 180:sc= -0.221 USER MOD Single : B 78 LYS NZ :NH3+ -162:sc= 0.561 (180deg=0.0758) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 29.677 15.300 -11.323 1.00 0.00 N ATOM 20 CA ALA A 2 28.670 15.024 -10.310 1.00 0.00 C ATOM 21 C ALA A 2 28.661 16.111 -9.247 1.00 0.00 C ATOM 22 O ALA A 2 29.677 16.764 -9.012 1.00 0.00 O ATOM 23 CB ALA A 2 28.942 13.674 -9.665 1.00 0.00 C ATOM 0 HA ALA A 2 27.693 15.005 -10.792 1.00 0.00 H new ATOM 0 HB1 ALA A 2 28.184 13.473 -8.907 1.00 0.00 H new ATOM 0 HB2 ALA A 2 28.910 12.894 -10.426 1.00 0.00 H new ATOM 0 HB3 ALA A 2 29.927 13.685 -9.199 1.00 0.00 H new ATOM 29 N SER A 3 27.511 16.311 -8.618 1.00 0.00 N ATOM 30 CA SER A 3 27.412 17.213 -7.485 1.00 0.00 C ATOM 31 C SER A 3 27.332 16.401 -6.195 1.00 0.00 C ATOM 32 O SER A 3 27.173 15.176 -6.240 1.00 0.00 O ATOM 33 CB SER A 3 26.202 18.141 -7.639 1.00 0.00 C ATOM 34 OG SER A 3 25.014 17.418 -7.918 1.00 0.00 O ATOM 0 H SER A 3 26.634 15.859 -8.876 1.00 0.00 H new ATOM 0 HA SER A 3 28.301 17.842 -7.444 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.069 18.719 -6.725 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.391 18.854 -8.442 1.00 0.00 H new ATOM 0 HG SER A 3 24.237 18.001 -7.784 1.00 0.00 H new ATOM 40 N LYS A 4 27.443 17.064 -5.052 1.00 0.00 N ATOM 41 CA LYS A 4 27.530 16.360 -3.780 1.00 0.00 C ATOM 42 C LYS A 4 26.151 16.067 -3.192 1.00 0.00 C ATOM 43 O LYS A 4 25.277 16.932 -3.146 1.00 0.00 O ATOM 44 CB LYS A 4 28.372 17.160 -2.778 1.00 0.00 C ATOM 45 CG LYS A 4 28.531 16.458 -1.439 1.00 0.00 C ATOM 46 CD LYS A 4 29.502 17.184 -0.521 1.00 0.00 C ATOM 47 CE LYS A 4 29.685 16.420 0.778 1.00 0.00 C ATOM 48 NZ LYS A 4 30.684 17.050 1.680 1.00 0.00 N ATOM 0 H LYS A 4 27.475 18.081 -4.979 1.00 0.00 H new ATOM 0 HA LYS A 4 28.016 15.404 -3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 4 29.358 17.343 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 4 27.908 18.134 -2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 4 27.559 16.385 -0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 4 28.882 15.440 -1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 4 30.464 17.299 -1.020 1.00 0.00 H new ATOM 0 HD3 LYS A 4 29.130 18.187 -0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 4 28.727 16.354 1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 4 29.997 15.400 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 30.983 16.363 2.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 31.510 17.352 1.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 30.258 17.877 2.146 1.00 0.00 H new ATOM 62 N ALA A 5 25.974 14.828 -2.754 1.00 0.00 N ATOM 63 CA ALA A 5 24.778 14.415 -2.043 1.00 0.00 C ATOM 64 C ALA A 5 25.169 13.853 -0.680 1.00 0.00 C ATOM 65 O ALA A 5 25.857 12.838 -0.597 1.00 0.00 O ATOM 66 CB ALA A 5 24.008 13.383 -2.851 1.00 0.00 C ATOM 0 H ALA A 5 26.658 14.082 -2.883 1.00 0.00 H new ATOM 0 HA ALA A 5 24.129 15.278 -1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 5 23.114 13.085 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 5 23.719 13.813 -3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 5 24.638 12.510 -3.021 1.00 0.00 H new ATOM 72 N ILE A 6 24.741 14.514 0.383 1.00 0.00 N ATOM 73 CA ILE A 6 25.171 14.150 1.727 1.00 0.00 C ATOM 74 C ILE A 6 24.062 13.419 2.472 1.00 0.00 C ATOM 75 O ILE A 6 23.026 14.001 2.780 1.00 0.00 O ATOM 76 CB ILE A 6 25.580 15.389 2.550 1.00 0.00 C ATOM 77 CG1 ILE A 6 26.264 16.433 1.663 1.00 0.00 C ATOM 78 CG2 ILE A 6 26.510 14.972 3.681 1.00 0.00 C ATOM 79 CD1 ILE A 6 26.581 17.729 2.381 1.00 0.00 C ATOM 0 H ILE A 6 24.097 15.304 0.344 1.00 0.00 H new ATOM 0 HA ILE A 6 26.036 13.496 1.612 1.00 0.00 H new ATOM 0 HB ILE A 6 24.680 15.838 2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 6 27.188 16.012 1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 6 25.621 16.649 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 6 26.796 15.850 4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 6 25.998 14.261 4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 6 27.403 14.505 3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 6 27.064 18.419 1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 6 25.658 18.174 2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 6 27.249 17.527 3.218 1.00 0.00 H new ATOM 91 N PHE A 7 24.279 12.153 2.771 1.00 0.00 N ATOM 92 CA PHE A 7 23.276 11.358 3.461 1.00 0.00 C ATOM 93 C PHE A 7 23.579 11.302 4.956 1.00 0.00 C ATOM 94 O PHE A 7 24.561 10.696 5.377 1.00 0.00 O ATOM 95 CB PHE A 7 23.211 9.947 2.867 1.00 0.00 C ATOM 96 CG PHE A 7 22.131 9.082 3.457 1.00 0.00 C ATOM 97 CD1 PHE A 7 20.862 9.590 3.680 1.00 0.00 C ATOM 98 CD2 PHE A 7 22.382 7.758 3.776 1.00 0.00 C ATOM 99 CE1 PHE A 7 19.864 8.797 4.212 1.00 0.00 C ATOM 100 CE2 PHE A 7 21.389 6.959 4.310 1.00 0.00 C ATOM 101 CZ PHE A 7 20.128 7.479 4.529 1.00 0.00 C ATOM 0 H PHE A 7 25.139 11.651 2.548 1.00 0.00 H new ATOM 0 HA PHE A 7 22.303 11.830 3.326 1.00 0.00 H new ATOM 0 HB2 PHE A 7 23.053 10.024 1.791 1.00 0.00 H new ATOM 0 HB3 PHE A 7 24.174 9.458 3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 7 20.650 10.620 3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 7 23.365 7.345 3.605 1.00 0.00 H new ATOM 0 HE1 PHE A 7 18.879 9.207 4.380 1.00 0.00 H new ATOM 0 HE2 PHE A 7 21.599 5.929 4.556 1.00 0.00 H new ATOM 0 HZ PHE A 7 19.351 6.856 4.947 1.00 0.00 H new ATOM 111 N TYR A 8 22.740 11.958 5.746 1.00 0.00 N ATOM 112 CA TYR A 8 22.909 11.990 7.193 1.00 0.00 C ATOM 113 C TYR A 8 21.979 10.993 7.870 1.00 0.00 C ATOM 114 O TYR A 8 20.769 10.999 7.628 1.00 0.00 O ATOM 115 CB TYR A 8 22.617 13.390 7.744 1.00 0.00 C ATOM 116 CG TYR A 8 23.646 14.438 7.385 1.00 0.00 C ATOM 117 CD1 TYR A 8 24.818 14.564 8.118 1.00 0.00 C ATOM 118 CD2 TYR A 8 23.438 15.315 6.328 1.00 0.00 C ATOM 119 CE1 TYR A 8 25.755 15.531 7.808 1.00 0.00 C ATOM 120 CE2 TYR A 8 24.372 16.284 6.010 1.00 0.00 C ATOM 121 CZ TYR A 8 25.529 16.388 6.754 1.00 0.00 C ATOM 122 OH TYR A 8 26.463 17.353 6.443 1.00 0.00 O ATOM 0 H TYR A 8 21.931 12.478 5.407 1.00 0.00 H new ATOM 0 HA TYR A 8 23.944 11.723 7.406 1.00 0.00 H new ATOM 0 HB2 TYR A 8 21.644 13.715 7.376 1.00 0.00 H new ATOM 0 HB3 TYR A 8 22.543 13.330 8.830 1.00 0.00 H new ATOM 0 HD1 TYR A 8 25.001 13.894 8.945 1.00 0.00 H new ATOM 0 HD2 TYR A 8 22.532 15.239 5.745 1.00 0.00 H new ATOM 0 HE1 TYR A 8 26.661 15.614 8.390 1.00 0.00 H new ATOM 0 HE2 TYR A 8 24.196 16.956 5.183 1.00 0.00 H new ATOM 0 HH TYR A 8 26.152 17.873 5.673 1.00 0.00 H new ATOM 132 N HIS A 9 22.541 10.141 8.716 1.00 0.00 N ATOM 133 CA HIS A 9 21.738 9.241 9.533 1.00 0.00 C ATOM 134 C HIS A 9 22.474 8.898 10.824 1.00 0.00 C ATOM 135 O HIS A 9 23.614 9.318 11.023 1.00 0.00 O ATOM 136 CB HIS A 9 21.351 7.965 8.767 1.00 0.00 C ATOM 137 CG HIS A 9 22.491 7.078 8.369 1.00 0.00 C ATOM 138 ND1 HIS A 9 22.989 6.126 9.222 1.00 0.00 N ATOM 139 CD2 HIS A 9 23.146 6.998 7.188 1.00 0.00 C ATOM 140 CE1 HIS A 9 23.925 5.487 8.541 1.00 0.00 C ATOM 141 NE2 HIS A 9 24.056 5.978 7.300 1.00 0.00 N ATOM 0 H HIS A 9 23.548 10.054 8.855 1.00 0.00 H new ATOM 0 HA HIS A 9 20.812 9.758 9.785 1.00 0.00 H new ATOM 0 HB2 HIS A 9 20.663 7.387 9.384 1.00 0.00 H new ATOM 0 HB3 HIS A 9 20.807 8.254 7.867 1.00 0.00 H new ATOM 0 HD2 HIS A 9 22.983 7.620 6.320 1.00 0.00 H new ATOM 0 HE1 HIS A 9 24.512 4.670 8.935 1.00 0.00 H new ATOM 0 HE2 HIS A 9 24.704 5.656 6.581 1.00 0.00 H new ATOM 149 N ALA A 10 21.821 8.144 11.700 1.00 0.00 N ATOM 150 CA ALA A 10 22.389 7.836 13.007 1.00 0.00 C ATOM 151 C ALA A 10 22.405 6.333 13.272 1.00 0.00 C ATOM 152 O ALA A 10 22.490 5.900 14.421 1.00 0.00 O ATOM 153 CB ALA A 10 21.605 8.555 14.096 1.00 0.00 C ATOM 0 H ALA A 10 20.902 7.736 11.530 1.00 0.00 H new ATOM 0 HA ALA A 10 23.422 8.184 13.016 1.00 0.00 H new ATOM 0 HB1 ALA A 10 22.035 8.320 15.070 1.00 0.00 H new ATOM 0 HB2 ALA A 10 21.653 9.631 13.928 1.00 0.00 H new ATOM 0 HB3 ALA A 10 20.565 8.230 14.071 1.00 0.00 H new ATOM 159 N GLY A 11 22.349 5.544 12.205 1.00 0.00 N ATOM 160 CA GLY A 11 22.372 4.098 12.350 1.00 0.00 C ATOM 161 C GLY A 11 21.075 3.544 12.907 1.00 0.00 C ATOM 162 O GLY A 11 20.989 3.205 14.088 1.00 0.00 O ATOM 0 H GLY A 11 22.288 5.878 11.243 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.569 3.643 11.379 1.00 0.00 H new ATOM 0 HA3 GLY A 11 23.195 3.816 13.007 1.00 0.00 H new ATOM 166 N CYS A 12 20.065 3.463 12.059 1.00 0.00 N ATOM 167 CA CYS A 12 18.770 2.927 12.448 1.00 0.00 C ATOM 168 C CYS A 12 18.246 2.018 11.341 1.00 0.00 C ATOM 169 O CYS A 12 18.698 2.123 10.199 1.00 0.00 O ATOM 170 CB CYS A 12 17.782 4.073 12.700 1.00 0.00 C ATOM 171 SG CYS A 12 18.342 5.289 13.915 1.00 0.00 S ATOM 0 H CYS A 12 20.117 3.765 11.086 1.00 0.00 H new ATOM 0 HA CYS A 12 18.878 2.351 13.367 1.00 0.00 H new ATOM 0 HB2 CYS A 12 17.588 4.583 11.756 1.00 0.00 H new ATOM 0 HB3 CYS A 12 16.834 3.652 13.036 1.00 0.00 H new ATOM 0 HG CYS A 12 17.438 6.213 14.052 1.00 0.00 H new ATOM 177 N PRO A 13 17.294 1.116 11.652 1.00 0.00 N ATOM 178 CA PRO A 13 16.703 0.207 10.660 1.00 0.00 C ATOM 179 C PRO A 13 16.225 0.945 9.411 1.00 0.00 C ATOM 180 O PRO A 13 16.451 0.500 8.285 1.00 0.00 O ATOM 181 CB PRO A 13 15.513 -0.430 11.398 1.00 0.00 C ATOM 182 CG PRO A 13 15.370 0.334 12.677 1.00 0.00 C ATOM 183 CD PRO A 13 16.729 0.888 12.987 1.00 0.00 C ATOM 0 HA PRO A 13 17.429 -0.523 10.302 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.603 -0.367 10.801 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.694 -1.487 11.592 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.638 1.135 12.573 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.021 -0.314 13.481 1.00 0.00 H new ATOM 0 HD2 PRO A 13 16.669 1.810 13.565 1.00 0.00 H new ATOM 0 HD3 PRO A 13 17.330 0.187 13.567 1.00 0.00 H new ATOM 191 N VAL A 14 15.582 2.089 9.625 1.00 0.00 N ATOM 192 CA VAL A 14 15.098 2.922 8.530 1.00 0.00 C ATOM 193 C VAL A 14 16.264 3.440 7.688 1.00 0.00 C ATOM 194 O VAL A 14 16.202 3.456 6.459 1.00 0.00 O ATOM 195 CB VAL A 14 14.282 4.119 9.061 1.00 0.00 C ATOM 196 CG1 VAL A 14 13.776 4.976 7.914 1.00 0.00 C ATOM 197 CG2 VAL A 14 13.127 3.640 9.927 1.00 0.00 C ATOM 0 H VAL A 14 15.383 2.462 10.553 1.00 0.00 H new ATOM 0 HA VAL A 14 14.452 2.301 7.909 1.00 0.00 H new ATOM 0 HB VAL A 14 14.939 4.732 9.678 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.203 5.814 8.311 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.623 5.354 7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.138 4.376 7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.564 4.500 10.291 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.471 3.000 9.337 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.517 3.076 10.774 1.00 0.00 H new ATOM 207 N CYS A 15 17.333 3.846 8.365 1.00 0.00 N ATOM 208 CA CYS A 15 18.513 4.373 7.696 1.00 0.00 C ATOM 209 C CYS A 15 19.125 3.318 6.785 1.00 0.00 C ATOM 210 O CYS A 15 19.556 3.619 5.675 1.00 0.00 O ATOM 211 CB CYS A 15 19.540 4.833 8.730 1.00 0.00 C ATOM 212 SG CYS A 15 18.871 5.961 9.975 1.00 0.00 S ATOM 0 H CYS A 15 17.405 3.819 9.382 1.00 0.00 H new ATOM 0 HA CYS A 15 18.215 5.227 7.087 1.00 0.00 H new ATOM 0 HB2 CYS A 15 19.953 3.958 9.231 1.00 0.00 H new ATOM 0 HB3 CYS A 15 20.365 5.324 8.214 1.00 0.00 H new ATOM 0 HG CYS A 15 19.744 6.128 10.923 1.00 0.00 H new ATOM 218 N VAL A 16 19.141 2.075 7.258 1.00 0.00 N ATOM 219 CA VAL A 16 19.656 0.959 6.476 1.00 0.00 C ATOM 220 C VAL A 16 18.861 0.797 5.185 1.00 0.00 C ATOM 221 O VAL A 16 19.433 0.677 4.102 1.00 0.00 O ATOM 222 CB VAL A 16 19.606 -0.361 7.278 1.00 0.00 C ATOM 223 CG1 VAL A 16 20.156 -1.519 6.456 1.00 0.00 C ATOM 224 CG2 VAL A 16 20.372 -0.222 8.585 1.00 0.00 C ATOM 0 H VAL A 16 18.801 1.816 8.184 1.00 0.00 H new ATOM 0 HA VAL A 16 20.696 1.182 6.236 1.00 0.00 H new ATOM 0 HB VAL A 16 18.563 -0.576 7.510 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.110 -2.436 7.043 1.00 0.00 H new ATOM 0 HG12 VAL A 16 19.561 -1.637 5.550 1.00 0.00 H new ATOM 0 HG13 VAL A 16 21.192 -1.313 6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.325 -1.161 9.136 1.00 0.00 H new ATOM 0 HG22 VAL A 16 21.413 0.023 8.373 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.927 0.572 9.185 1.00 0.00 H new ATOM 234 N SER A 17 17.538 0.821 5.305 1.00 0.00 N ATOM 235 CA SER A 17 16.659 0.683 4.151 1.00 0.00 C ATOM 236 C SER A 17 16.881 1.824 3.158 1.00 0.00 C ATOM 237 O SER A 17 16.924 1.611 1.946 1.00 0.00 O ATOM 238 CB SER A 17 15.201 0.660 4.613 1.00 0.00 C ATOM 239 OG SER A 17 15.008 -0.315 5.623 1.00 0.00 O ATOM 0 H SER A 17 17.050 0.935 6.193 1.00 0.00 H new ATOM 0 HA SER A 17 16.891 -0.255 3.646 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.919 1.643 4.991 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.550 0.446 3.766 1.00 0.00 H new ATOM 0 HG SER A 17 15.330 0.034 6.480 1.00 0.00 H new ATOM 245 N ALA A 18 17.043 3.032 3.683 1.00 0.00 N ATOM 246 CA ALA A 18 17.268 4.203 2.850 1.00 0.00 C ATOM 247 C ALA A 18 18.637 4.145 2.177 1.00 0.00 C ATOM 248 O ALA A 18 18.783 4.519 1.015 1.00 0.00 O ATOM 249 CB ALA A 18 17.133 5.472 3.680 1.00 0.00 C ATOM 0 H ALA A 18 17.022 3.225 4.684 1.00 0.00 H new ATOM 0 HA ALA A 18 16.511 4.214 2.066 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.304 6.342 3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.131 5.524 4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.868 5.460 4.485 1.00 0.00 H new ATOM 255 N GLU A 19 19.630 3.655 2.905 1.00 0.00 N ATOM 256 CA GLU A 19 20.999 3.612 2.408 1.00 0.00 C ATOM 257 C GLU A 19 21.165 2.532 1.336 1.00 0.00 C ATOM 258 O GLU A 19 21.789 2.766 0.301 1.00 0.00 O ATOM 259 CB GLU A 19 21.969 3.375 3.568 1.00 0.00 C ATOM 260 CG GLU A 19 23.428 3.587 3.203 1.00 0.00 C ATOM 261 CD GLU A 19 24.357 3.414 4.388 1.00 0.00 C ATOM 262 OE1 GLU A 19 24.803 2.275 4.635 1.00 0.00 O ATOM 263 OE2 GLU A 19 24.652 4.416 5.075 1.00 0.00 O ATOM 0 H GLU A 19 19.513 3.280 3.846 1.00 0.00 H new ATOM 0 HA GLU A 19 21.227 4.573 1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 19 21.709 4.044 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 19 21.840 2.356 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 19 23.709 2.882 2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.554 4.588 2.791 1.00 0.00 H new ATOM 270 N GLN A 20 20.588 1.360 1.572 1.00 0.00 N ATOM 271 CA GLN A 20 20.717 0.251 0.629 1.00 0.00 C ATOM 272 C GLN A 20 19.888 0.482 -0.631 1.00 0.00 C ATOM 273 O GLN A 20 20.279 0.073 -1.722 1.00 0.00 O ATOM 274 CB GLN A 20 20.300 -1.073 1.275 1.00 0.00 C ATOM 275 CG GLN A 20 21.197 -1.512 2.420 1.00 0.00 C ATOM 276 CD GLN A 20 20.846 -2.894 2.935 1.00 0.00 C ATOM 277 OE1 GLN A 20 19.695 -3.325 2.871 1.00 0.00 O ATOM 278 NE2 GLN A 20 21.838 -3.602 3.449 1.00 0.00 N ATOM 0 H GLN A 20 20.030 1.152 2.400 1.00 0.00 H new ATOM 0 HA GLN A 20 21.769 0.198 0.348 1.00 0.00 H new ATOM 0 HB2 GLN A 20 19.278 -0.980 1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 20 20.295 -1.852 0.512 1.00 0.00 H new ATOM 0 HG2 GLN A 20 22.235 -1.504 2.088 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.118 -0.793 3.235 1.00 0.00 H new ATOM 0 HE21 GLN A 20 22.779 -3.210 3.485 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.662 -4.540 3.810 1.00 0.00 H new ATOM 287 N ALA A 21 18.744 1.138 -0.486 1.00 0.00 N ATOM 288 CA ALA A 21 17.849 1.337 -1.616 1.00 0.00 C ATOM 289 C ALA A 21 18.013 2.720 -2.240 1.00 0.00 C ATOM 290 O ALA A 21 18.474 2.843 -3.372 1.00 0.00 O ATOM 291 CB ALA A 21 16.406 1.116 -1.193 1.00 0.00 C ATOM 0 H ALA A 21 18.417 1.537 0.394 1.00 0.00 H new ATOM 0 HA ALA A 21 18.116 0.603 -2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.749 1.268 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 21 16.288 0.098 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.146 1.823 -0.405 1.00 0.00 H new ATOM 297 N VAL A 22 17.651 3.757 -1.497 1.00 0.00 N ATOM 298 CA VAL A 22 17.625 5.111 -2.042 1.00 0.00 C ATOM 299 C VAL A 22 19.034 5.626 -2.323 1.00 0.00 C ATOM 300 O VAL A 22 19.286 6.222 -3.369 1.00 0.00 O ATOM 301 CB VAL A 22 16.899 6.094 -1.097 1.00 0.00 C ATOM 302 CG1 VAL A 22 16.756 7.464 -1.750 1.00 0.00 C ATOM 303 CG2 VAL A 22 15.539 5.543 -0.693 1.00 0.00 C ATOM 0 H VAL A 22 17.372 3.689 -0.518 1.00 0.00 H new ATOM 0 HA VAL A 22 17.073 5.057 -2.980 1.00 0.00 H new ATOM 0 HB VAL A 22 17.501 6.210 -0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.242 8.141 -1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 22 17.744 7.862 -1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.179 7.370 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.043 6.250 -0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.928 5.393 -1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.670 4.591 -0.179 1.00 0.00 H new ATOM 313 N ALA A 23 19.957 5.375 -1.402 1.00 0.00 N ATOM 314 CA ALA A 23 21.334 5.832 -1.565 1.00 0.00 C ATOM 315 C ALA A 23 22.069 5.011 -2.623 1.00 0.00 C ATOM 316 O ALA A 23 23.197 5.325 -2.989 1.00 0.00 O ATOM 317 CB ALA A 23 22.074 5.794 -0.237 1.00 0.00 C ATOM 0 H ALA A 23 19.780 4.861 -0.539 1.00 0.00 H new ATOM 0 HA ALA A 23 21.305 6.866 -1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.098 6.138 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 23 21.570 6.443 0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 23 22.085 4.773 0.144 1.00 0.00 H new ATOM 323 N ASN A 24 21.431 3.947 -3.099 1.00 0.00 N ATOM 324 CA ASN A 24 21.963 3.180 -4.223 1.00 0.00 C ATOM 325 C ASN A 24 21.270 3.593 -5.512 1.00 0.00 C ATOM 326 O ASN A 24 21.806 3.413 -6.606 1.00 0.00 O ATOM 327 CB ASN A 24 21.807 1.675 -4.003 1.00 0.00 C ATOM 328 CG ASN A 24 22.932 1.077 -3.176 1.00 0.00 C ATOM 329 OD1 ASN A 24 23.322 -0.071 -3.384 1.00 0.00 O ATOM 330 ND2 ASN A 24 23.461 1.842 -2.232 1.00 0.00 N ATOM 0 H ASN A 24 20.549 3.596 -2.727 1.00 0.00 H new ATOM 0 HA ASN A 24 23.028 3.397 -4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 24 20.856 1.483 -3.506 1.00 0.00 H new ATOM 0 HB3 ASN A 24 21.768 1.174 -4.970 1.00 0.00 H new ATOM 0 HD21 ASN A 24 24.217 1.483 -1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 24 23.112 2.790 -2.088 1.00 0.00 H new ATOM 337 N ALA A 25 20.064 4.134 -5.374 1.00 0.00 N ATOM 338 CA ALA A 25 19.364 4.728 -6.499 1.00 0.00 C ATOM 339 C ALA A 25 20.091 5.993 -6.927 1.00 0.00 C ATOM 340 O ALA A 25 20.149 6.325 -8.112 1.00 0.00 O ATOM 341 CB ALA A 25 17.917 5.029 -6.134 1.00 0.00 C ATOM 0 H ALA A 25 19.554 4.172 -4.492 1.00 0.00 H new ATOM 0 HA ALA A 25 19.353 4.024 -7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 25 17.411 5.474 -6.991 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.412 4.104 -5.854 1.00 0.00 H new ATOM 0 HB3 ALA A 25 17.890 5.725 -5.296 1.00 0.00 H new ATOM 347 N ILE A 26 20.649 6.690 -5.943 1.00 0.00 N ATOM 348 CA ILE A 26 21.554 7.794 -6.205 1.00 0.00 C ATOM 349 C ILE A 26 22.903 7.224 -6.621 1.00 0.00 C ATOM 350 O ILE A 26 23.743 6.909 -5.780 1.00 0.00 O ATOM 351 CB ILE A 26 21.743 8.700 -4.966 1.00 0.00 C ATOM 352 CG1 ILE A 26 20.391 9.132 -4.391 1.00 0.00 C ATOM 353 CG2 ILE A 26 22.580 9.922 -5.322 1.00 0.00 C ATOM 354 CD1 ILE A 26 19.567 9.984 -5.333 1.00 0.00 C ATOM 0 H ILE A 26 20.487 6.506 -4.953 1.00 0.00 H new ATOM 0 HA ILE A 26 21.124 8.408 -6.997 1.00 0.00 H new ATOM 0 HB ILE A 26 22.269 8.124 -4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 26 19.819 8.243 -4.127 1.00 0.00 H new ATOM 0 HG13 ILE A 26 20.560 9.688 -3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 26 22.703 10.549 -4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 26 23.559 9.601 -5.679 1.00 0.00 H new ATOM 0 HG23 ILE A 26 22.078 10.492 -6.104 1.00 0.00 H new ATOM 0 HD11 ILE A 26 18.625 10.249 -4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 26 20.118 10.892 -5.578 1.00 0.00 H new ATOM 0 HD13 ILE A 26 19.365 9.425 -6.246 1.00 0.00 H new ATOM 366 N ASP A 27 23.080 7.046 -7.920 1.00 0.00 N ATOM 367 CA ASP A 27 24.276 6.403 -8.448 1.00 0.00 C ATOM 368 C ASP A 27 25.512 7.249 -8.165 1.00 0.00 C ATOM 369 O ASP A 27 25.544 8.435 -8.495 1.00 0.00 O ATOM 370 CB ASP A 27 24.134 6.177 -9.954 1.00 0.00 C ATOM 371 CG ASP A 27 25.107 5.141 -10.477 1.00 0.00 C ATOM 372 OD1 ASP A 27 26.324 5.417 -10.512 1.00 0.00 O ATOM 373 OD2 ASP A 27 24.648 4.042 -10.862 1.00 0.00 O ATOM 0 H ASP A 27 22.410 7.338 -8.631 1.00 0.00 H new ATOM 0 HA ASP A 27 24.393 5.439 -7.952 1.00 0.00 H new ATOM 0 HB2 ASP A 27 23.115 5.860 -10.176 1.00 0.00 H new ATOM 0 HB3 ASP A 27 24.295 7.120 -10.477 1.00 0.00 H new ATOM 378 N PRO A 28 26.547 6.648 -7.554 1.00 0.00 N ATOM 379 CA PRO A 28 27.788 7.351 -7.207 1.00 0.00 C ATOM 380 C PRO A 28 28.531 7.876 -8.437 1.00 0.00 C ATOM 381 O PRO A 28 29.394 8.748 -8.330 1.00 0.00 O ATOM 382 CB PRO A 28 28.625 6.285 -6.490 1.00 0.00 C ATOM 383 CG PRO A 28 28.048 4.982 -6.922 1.00 0.00 C ATOM 384 CD PRO A 28 26.584 5.235 -7.141 1.00 0.00 C ATOM 0 HA PRO A 28 27.590 8.234 -6.599 1.00 0.00 H new ATOM 0 HB2 PRO A 28 29.677 6.360 -6.764 1.00 0.00 H new ATOM 0 HB3 PRO A 28 28.568 6.402 -5.408 1.00 0.00 H new ATOM 0 HG2 PRO A 28 28.524 4.627 -7.836 1.00 0.00 H new ATOM 0 HG3 PRO A 28 28.203 4.215 -6.163 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.172 4.580 -7.909 1.00 0.00 H new ATOM 0 HD3 PRO A 28 26.005 5.065 -6.233 1.00 0.00 H new ATOM 392 N SER A 29 28.195 7.342 -9.603 1.00 0.00 N ATOM 393 CA SER A 29 28.809 7.780 -10.847 1.00 0.00 C ATOM 394 C SER A 29 28.050 8.975 -11.410 1.00 0.00 C ATOM 395 O SER A 29 28.539 9.686 -12.291 1.00 0.00 O ATOM 396 CB SER A 29 28.805 6.634 -11.857 1.00 0.00 C ATOM 397 OG SER A 29 29.097 5.403 -11.215 1.00 0.00 O ATOM 0 H SER A 29 27.500 6.604 -9.713 1.00 0.00 H new ATOM 0 HA SER A 29 29.839 8.078 -10.651 1.00 0.00 H new ATOM 0 HB2 SER A 29 27.832 6.575 -12.344 1.00 0.00 H new ATOM 0 HB3 SER A 29 29.541 6.827 -12.638 1.00 0.00 H new ATOM 0 HG SER A 29 28.283 5.050 -10.799 1.00 0.00 H new ATOM 403 N LYS A 30 26.855 9.190 -10.882 1.00 0.00 N ATOM 404 CA LYS A 30 25.982 10.254 -11.345 1.00 0.00 C ATOM 405 C LYS A 30 26.008 11.415 -10.353 1.00 0.00 C ATOM 406 O LYS A 30 25.965 12.583 -10.741 1.00 0.00 O ATOM 407 CB LYS A 30 24.562 9.709 -11.501 1.00 0.00 C ATOM 408 CG LYS A 30 23.632 10.589 -12.318 1.00 0.00 C ATOM 409 CD LYS A 30 22.269 9.937 -12.465 1.00 0.00 C ATOM 410 CE LYS A 30 21.357 10.724 -13.389 1.00 0.00 C ATOM 411 NZ LYS A 30 20.020 10.089 -13.502 1.00 0.00 N ATOM 0 H LYS A 30 26.465 8.632 -10.122 1.00 0.00 H new ATOM 0 HA LYS A 30 26.328 10.621 -12.311 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.614 8.726 -11.968 1.00 0.00 H new ATOM 0 HB3 LYS A 30 24.130 9.568 -10.510 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.526 11.561 -11.836 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.064 10.767 -13.303 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.391 8.925 -12.852 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.802 9.849 -11.484 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.247 11.742 -13.014 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.812 10.796 -14.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 19.395 10.695 -14.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.114 9.160 -13.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 19.613 9.966 -12.553 1.00 0.00 H new ATOM 425 N TYR A 31 26.077 11.079 -9.069 1.00 0.00 N ATOM 426 CA TYR A 31 26.177 12.072 -8.006 1.00 0.00 C ATOM 427 C TYR A 31 27.153 11.596 -6.936 1.00 0.00 C ATOM 428 O TYR A 31 27.274 10.400 -6.686 1.00 0.00 O ATOM 429 CB TYR A 31 24.803 12.348 -7.386 1.00 0.00 C ATOM 430 CG TYR A 31 23.839 13.009 -8.345 1.00 0.00 C ATOM 431 CD1 TYR A 31 23.937 14.366 -8.622 1.00 0.00 C ATOM 432 CD2 TYR A 31 22.845 12.278 -8.983 1.00 0.00 C ATOM 433 CE1 TYR A 31 23.074 14.976 -9.508 1.00 0.00 C ATOM 434 CE2 TYR A 31 21.976 12.884 -9.870 1.00 0.00 C ATOM 435 CZ TYR A 31 22.095 14.232 -10.129 1.00 0.00 C ATOM 436 OH TYR A 31 21.239 14.839 -11.018 1.00 0.00 O ATOM 0 H TYR A 31 26.065 10.115 -8.737 1.00 0.00 H new ATOM 0 HA TYR A 31 26.548 13.002 -8.437 1.00 0.00 H new ATOM 0 HB2 TYR A 31 24.373 11.409 -7.039 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.928 12.985 -6.510 1.00 0.00 H new ATOM 0 HD1 TYR A 31 24.702 14.953 -8.136 1.00 0.00 H new ATOM 0 HD2 TYR A 31 22.750 11.221 -8.783 1.00 0.00 H new ATOM 0 HE1 TYR A 31 23.165 16.032 -9.714 1.00 0.00 H new ATOM 0 HE2 TYR A 31 21.207 12.304 -10.358 1.00 0.00 H new ATOM 0 HH TYR A 31 20.608 14.176 -11.369 1.00 0.00 H new ATOM 446 N THR A 32 27.853 12.532 -6.316 1.00 0.00 N ATOM 447 CA THR A 32 28.835 12.197 -5.301 1.00 0.00 C ATOM 448 C THR A 32 28.158 12.002 -3.948 1.00 0.00 C ATOM 449 O THR A 32 27.887 12.965 -3.230 1.00 0.00 O ATOM 450 CB THR A 32 29.910 13.293 -5.192 1.00 0.00 C ATOM 451 OG1 THR A 32 30.421 13.594 -6.497 1.00 0.00 O ATOM 452 CG2 THR A 32 31.052 12.852 -4.287 1.00 0.00 C ATOM 0 H THR A 32 27.758 13.531 -6.499 1.00 0.00 H new ATOM 0 HA THR A 32 29.317 11.265 -5.596 1.00 0.00 H new ATOM 0 HB THR A 32 29.452 14.182 -4.758 1.00 0.00 H new ATOM 0 HG1 THR A 32 31.104 14.293 -6.428 1.00 0.00 H new ATOM 0 HG21 THR A 32 31.797 13.646 -4.228 1.00 0.00 H new ATOM 0 HG22 THR A 32 30.666 12.642 -3.290 1.00 0.00 H new ATOM 0 HG23 THR A 32 31.512 11.952 -4.694 1.00 0.00 H new ATOM 460 N VAL A 33 27.862 10.754 -3.623 1.00 0.00 N ATOM 461 CA VAL A 33 27.167 10.433 -2.387 1.00 0.00 C ATOM 462 C VAL A 33 28.151 10.338 -1.226 1.00 0.00 C ATOM 463 O VAL A 33 29.071 9.521 -1.245 1.00 0.00 O ATOM 464 CB VAL A 33 26.395 9.101 -2.502 1.00 0.00 C ATOM 465 CG1 VAL A 33 25.399 8.952 -1.361 1.00 0.00 C ATOM 466 CG2 VAL A 33 25.695 8.998 -3.847 1.00 0.00 C ATOM 0 H VAL A 33 28.093 9.945 -4.200 1.00 0.00 H new ATOM 0 HA VAL A 33 26.455 11.237 -2.201 1.00 0.00 H new ATOM 0 HB VAL A 33 27.115 8.285 -2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.867 8.006 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 33 25.931 8.968 -0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 33 24.685 9.775 -1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 33 25.157 8.052 -3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 33 24.991 9.823 -3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 33 26.434 9.046 -4.647 1.00 0.00 H new ATOM 476 N GLU A 34 27.961 11.187 -0.230 1.00 0.00 N ATOM 477 CA GLU A 34 28.784 11.164 0.968 1.00 0.00 C ATOM 478 C GLU A 34 27.899 10.904 2.181 1.00 0.00 C ATOM 479 O GLU A 34 27.049 11.722 2.529 1.00 0.00 O ATOM 480 CB GLU A 34 29.541 12.487 1.125 1.00 0.00 C ATOM 481 CG GLU A 34 30.541 12.494 2.272 1.00 0.00 C ATOM 482 CD GLU A 34 31.327 13.788 2.354 1.00 0.00 C ATOM 483 OE1 GLU A 34 32.369 13.904 1.676 1.00 0.00 O ATOM 484 OE2 GLU A 34 30.902 14.702 3.094 1.00 0.00 O ATOM 0 H GLU A 34 27.238 11.906 -0.228 1.00 0.00 H new ATOM 0 HA GLU A 34 29.520 10.365 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 34 30.067 12.705 0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 34 28.821 13.290 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.012 12.335 3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.233 11.660 2.151 1.00 0.00 H new ATOM 491 N ILE A 35 28.085 9.754 2.805 1.00 0.00 N ATOM 492 CA ILE A 35 27.250 9.349 3.923 1.00 0.00 C ATOM 493 C ILE A 35 27.899 9.734 5.250 1.00 0.00 C ATOM 494 O ILE A 35 28.994 9.272 5.574 1.00 0.00 O ATOM 495 CB ILE A 35 26.989 7.829 3.897 1.00 0.00 C ATOM 496 CG1 ILE A 35 26.433 7.415 2.530 1.00 0.00 C ATOM 497 CG2 ILE A 35 26.022 7.441 5.004 1.00 0.00 C ATOM 498 CD1 ILE A 35 26.289 5.918 2.358 1.00 0.00 C ATOM 0 H ILE A 35 28.810 9.081 2.555 1.00 0.00 H new ATOM 0 HA ILE A 35 26.297 9.870 3.828 1.00 0.00 H new ATOM 0 HB ILE A 35 27.931 7.307 4.064 1.00 0.00 H new ATOM 0 HG12 ILE A 35 25.459 7.883 2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 35 27.089 7.800 1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 35 25.847 6.366 4.974 1.00 0.00 H new ATOM 0 HG22 ILE A 35 26.447 7.712 5.970 1.00 0.00 H new ATOM 0 HG23 ILE A 35 25.078 7.966 4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 35 25.890 5.702 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 35 27.264 5.444 2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 35 25.609 5.529 3.115 1.00 0.00 H new ATOM 510 N VAL A 36 27.215 10.573 6.015 1.00 0.00 N ATOM 511 CA VAL A 36 27.745 11.063 7.279 1.00 0.00 C ATOM 512 C VAL A 36 26.922 10.532 8.447 1.00 0.00 C ATOM 513 O VAL A 36 25.701 10.689 8.487 1.00 0.00 O ATOM 514 CB VAL A 36 27.766 12.607 7.319 1.00 0.00 C ATOM 515 CG1 VAL A 36 28.361 13.111 8.625 1.00 0.00 C ATOM 516 CG2 VAL A 36 28.538 13.162 6.132 1.00 0.00 C ATOM 0 H VAL A 36 26.288 10.930 5.781 1.00 0.00 H new ATOM 0 HA VAL A 36 28.769 10.701 7.367 1.00 0.00 H new ATOM 0 HB VAL A 36 26.736 12.960 7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 36 28.364 14.201 8.627 1.00 0.00 H new ATOM 0 HG12 VAL A 36 27.763 12.748 9.461 1.00 0.00 H new ATOM 0 HG13 VAL A 36 29.383 12.745 8.724 1.00 0.00 H new ATOM 0 HG21 VAL A 36 28.542 14.251 6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 36 29.564 12.794 6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.063 12.839 5.206 1.00 0.00 H new ATOM 526 N HIS A 37 27.598 9.894 9.390 1.00 0.00 N ATOM 527 CA HIS A 37 26.938 9.313 10.549 1.00 0.00 C ATOM 528 C HIS A 37 26.937 10.319 11.699 1.00 0.00 C ATOM 529 O HIS A 37 27.992 10.810 12.107 1.00 0.00 O ATOM 530 CB HIS A 37 27.658 8.028 10.962 1.00 0.00 C ATOM 531 CG HIS A 37 26.857 7.130 11.857 1.00 0.00 C ATOM 532 ND1 HIS A 37 26.753 7.364 13.205 1.00 0.00 N ATOM 533 CD2 HIS A 37 26.168 6.007 11.550 1.00 0.00 C ATOM 534 CE1 HIS A 37 26.012 6.381 13.687 1.00 0.00 C ATOM 535 NE2 HIS A 37 25.636 5.535 12.723 1.00 0.00 N ATOM 0 H HIS A 37 28.610 9.765 9.375 1.00 0.00 H new ATOM 0 HA HIS A 37 25.906 9.070 10.297 1.00 0.00 H new ATOM 0 HB2 HIS A 37 27.932 7.475 10.064 1.00 0.00 H new ATOM 0 HB3 HIS A 37 28.586 8.293 11.469 1.00 0.00 H new ATOM 0 HD2 HIS A 37 26.058 5.567 10.570 1.00 0.00 H new ATOM 0 HE1 HIS A 37 25.744 6.275 14.728 1.00 0.00 H new ATOM 0 HE2 HIS A 37 25.063 4.699 12.838 1.00 0.00 H new ATOM 543 N LEU A 38 25.754 10.630 12.210 1.00 0.00 N ATOM 544 CA LEU A 38 25.610 11.638 13.257 1.00 0.00 C ATOM 545 C LEU A 38 25.761 11.028 14.645 1.00 0.00 C ATOM 546 O LEU A 38 25.732 11.735 15.650 1.00 0.00 O ATOM 547 CB LEU A 38 24.256 12.339 13.133 1.00 0.00 C ATOM 548 CG LEU A 38 24.053 13.122 11.834 1.00 0.00 C ATOM 549 CD1 LEU A 38 22.666 13.740 11.796 1.00 0.00 C ATOM 550 CD2 LEU A 38 25.120 14.197 11.688 1.00 0.00 C ATOM 0 H LEU A 38 24.877 10.199 11.917 1.00 0.00 H new ATOM 0 HA LEU A 38 26.406 12.371 13.126 1.00 0.00 H new ATOM 0 HB2 LEU A 38 23.467 11.591 13.217 1.00 0.00 H new ATOM 0 HB3 LEU A 38 24.138 13.022 13.974 1.00 0.00 H new ATOM 0 HG LEU A 38 24.144 12.430 10.997 1.00 0.00 H new ATOM 0 HD11 LEU A 38 22.539 14.293 10.865 1.00 0.00 H new ATOM 0 HD12 LEU A 38 21.915 12.952 11.855 1.00 0.00 H new ATOM 0 HD13 LEU A 38 22.547 14.419 12.640 1.00 0.00 H new ATOM 0 HD21 LEU A 38 24.961 14.744 10.759 1.00 0.00 H new ATOM 0 HD22 LEU A 38 25.059 14.886 12.530 1.00 0.00 H new ATOM 0 HD23 LEU A 38 26.105 13.732 11.670 1.00 0.00 H new ATOM 562 N GLY A 39 25.926 9.715 14.697 1.00 0.00 N ATOM 563 CA GLY A 39 26.118 9.046 15.965 1.00 0.00 C ATOM 564 C GLY A 39 27.582 8.965 16.337 1.00 0.00 C ATOM 565 O GLY A 39 27.933 8.954 17.517 1.00 0.00 O ATOM 0 H GLY A 39 25.930 9.101 13.883 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.573 9.579 16.744 1.00 0.00 H new ATOM 0 HA3 GLY A 39 25.699 8.041 15.914 1.00 0.00 H new ATOM 569 N THR A 40 28.434 8.914 15.323 1.00 0.00 N ATOM 570 CA THR A 40 29.872 8.850 15.525 1.00 0.00 C ATOM 571 C THR A 40 30.392 10.133 16.172 1.00 0.00 C ATOM 572 O THR A 40 31.169 10.088 17.127 1.00 0.00 O ATOM 573 CB THR A 40 30.601 8.622 14.187 1.00 0.00 C ATOM 574 OG1 THR A 40 29.950 7.578 13.454 1.00 0.00 O ATOM 575 CG2 THR A 40 32.059 8.249 14.416 1.00 0.00 C ATOM 0 H THR A 40 28.149 8.916 14.344 1.00 0.00 H new ATOM 0 HA THR A 40 30.073 8.011 16.191 1.00 0.00 H new ATOM 0 HB THR A 40 30.567 9.550 13.617 1.00 0.00 H new ATOM 0 HG1 THR A 40 30.415 7.437 12.603 1.00 0.00 H new ATOM 0 HG21 THR A 40 32.550 8.094 13.455 1.00 0.00 H new ATOM 0 HG22 THR A 40 32.560 9.054 14.954 1.00 0.00 H new ATOM 0 HG23 THR A 40 32.112 7.332 15.003 1.00 0.00 H new ATOM 583 N ASP A 41 29.944 11.276 15.667 1.00 0.00 N ATOM 584 CA ASP A 41 30.396 12.563 16.186 1.00 0.00 C ATOM 585 C ASP A 41 29.227 13.481 16.492 1.00 0.00 C ATOM 586 O ASP A 41 28.451 13.833 15.603 1.00 0.00 O ATOM 587 CB ASP A 41 31.338 13.262 15.200 1.00 0.00 C ATOM 588 CG ASP A 41 32.780 12.830 15.357 1.00 0.00 C ATOM 589 OD1 ASP A 41 33.406 13.192 16.374 1.00 0.00 O ATOM 590 OD2 ASP A 41 33.303 12.147 14.453 1.00 0.00 O ATOM 0 H ASP A 41 29.272 11.339 14.903 1.00 0.00 H new ATOM 0 HA ASP A 41 30.935 12.355 17.110 1.00 0.00 H new ATOM 0 HB2 ASP A 41 31.010 13.053 14.182 1.00 0.00 H new ATOM 0 HB3 ASP A 41 31.269 14.341 15.342 1.00 0.00 H new ATOM 595 N LYS A 42 29.119 13.880 17.753 1.00 0.00 N ATOM 596 CA LYS A 42 28.107 14.838 18.169 1.00 0.00 C ATOM 597 C LYS A 42 28.425 16.218 17.604 1.00 0.00 C ATOM 598 O LYS A 42 27.535 17.044 17.417 1.00 0.00 O ATOM 599 CB LYS A 42 28.015 14.904 19.696 1.00 0.00 C ATOM 600 CG LYS A 42 27.539 13.611 20.342 1.00 0.00 C ATOM 601 CD LYS A 42 27.421 13.755 21.851 1.00 0.00 C ATOM 602 CE LYS A 42 26.860 12.497 22.496 1.00 0.00 C ATOM 603 NZ LYS A 42 27.762 11.327 22.321 1.00 0.00 N ATOM 0 H LYS A 42 29.723 13.553 18.507 1.00 0.00 H new ATOM 0 HA LYS A 42 27.144 14.508 17.780 1.00 0.00 H new ATOM 0 HB2 LYS A 42 28.995 15.160 20.098 1.00 0.00 H new ATOM 0 HB3 LYS A 42 27.335 15.709 19.975 1.00 0.00 H new ATOM 0 HG2 LYS A 42 26.572 13.329 19.925 1.00 0.00 H new ATOM 0 HG3 LYS A 42 28.235 12.806 20.105 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.402 13.974 22.273 1.00 0.00 H new ATOM 0 HD3 LYS A 42 26.777 14.602 22.086 1.00 0.00 H new ATOM 0 HE2 LYS A 42 26.701 12.676 23.559 1.00 0.00 H new ATOM 0 HE3 LYS A 42 25.886 12.271 22.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 27.391 10.519 22.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 27.813 11.076 21.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 28.713 11.567 22.667 1.00 0.00 H new ATOM 617 N ALA A 43 29.704 16.454 17.321 1.00 0.00 N ATOM 618 CA ALA A 43 30.137 17.711 16.721 1.00 0.00 C ATOM 619 C ALA A 43 29.537 17.875 15.330 1.00 0.00 C ATOM 620 O ALA A 43 29.152 18.974 14.929 1.00 0.00 O ATOM 621 CB ALA A 43 31.656 17.769 16.652 1.00 0.00 C ATOM 0 H ALA A 43 30.458 15.790 17.498 1.00 0.00 H new ATOM 0 HA ALA A 43 29.785 18.531 17.347 1.00 0.00 H new ATOM 0 HB1 ALA A 43 31.964 18.713 16.202 1.00 0.00 H new ATOM 0 HB2 ALA A 43 32.069 17.695 17.658 1.00 0.00 H new ATOM 0 HB3 ALA A 43 32.025 16.941 16.047 1.00 0.00 H new ATOM 627 N ARG A 44 29.427 16.765 14.607 1.00 0.00 N ATOM 628 CA ARG A 44 28.887 16.791 13.255 1.00 0.00 C ATOM 629 C ARG A 44 27.373 16.954 13.271 1.00 0.00 C ATOM 630 O ARG A 44 26.761 17.229 12.241 1.00 0.00 O ATOM 631 CB ARG A 44 29.291 15.536 12.481 1.00 0.00 C ATOM 632 CG ARG A 44 30.777 15.499 12.162 1.00 0.00 C ATOM 633 CD ARG A 44 31.151 14.329 11.266 1.00 0.00 C ATOM 634 NE ARG A 44 32.536 14.435 10.804 1.00 0.00 N ATOM 635 CZ ARG A 44 33.118 13.591 9.948 1.00 0.00 C ATOM 636 NH1 ARG A 44 32.463 12.533 9.486 1.00 0.00 N ATOM 637 NH2 ARG A 44 34.374 13.804 9.572 1.00 0.00 N ATOM 0 H ARG A 44 29.704 15.840 14.935 1.00 0.00 H new ATOM 0 HA ARG A 44 29.311 17.655 12.744 1.00 0.00 H new ATOM 0 HB2 ARG A 44 29.026 14.653 13.063 1.00 0.00 H new ATOM 0 HB3 ARG A 44 28.722 15.488 11.552 1.00 0.00 H new ATOM 0 HG2 ARG A 44 31.064 16.431 11.676 1.00 0.00 H new ATOM 0 HG3 ARG A 44 31.343 15.436 13.091 1.00 0.00 H new ATOM 0 HD2 ARG A 44 31.017 13.394 11.810 1.00 0.00 H new ATOM 0 HD3 ARG A 44 30.480 14.297 10.407 1.00 0.00 H new ATOM 0 HE ARG A 44 33.097 15.209 11.161 1.00 0.00 H new ATOM 0 HH11 ARG A 44 31.504 12.357 9.784 1.00 0.00 H new ATOM 0 HH12 ARG A 44 32.919 11.896 8.833 1.00 0.00 H new ATOM 0 HH21 ARG A 44 34.886 14.607 9.937 1.00 0.00 H new ATOM 0 HH22 ARG A 44 34.826 13.164 8.919 1.00 0.00 H new ATOM 651 N ILE A 45 26.774 16.794 14.446 1.00 0.00 N ATOM 652 CA ILE A 45 25.355 17.070 14.621 1.00 0.00 C ATOM 653 C ILE A 45 25.100 18.565 14.458 1.00 0.00 C ATOM 654 O ILE A 45 24.154 18.978 13.786 1.00 0.00 O ATOM 655 CB ILE A 45 24.853 16.604 16.007 1.00 0.00 C ATOM 656 CG1 ILE A 45 24.941 15.076 16.116 1.00 0.00 C ATOM 657 CG2 ILE A 45 23.428 17.084 16.260 1.00 0.00 C ATOM 658 CD1 ILE A 45 24.514 14.534 17.464 1.00 0.00 C ATOM 0 H ILE A 45 27.250 16.475 15.290 1.00 0.00 H new ATOM 0 HA ILE A 45 24.807 16.514 13.860 1.00 0.00 H new ATOM 0 HB ILE A 45 25.493 17.044 16.771 1.00 0.00 H new ATOM 0 HG12 ILE A 45 24.318 14.629 15.341 1.00 0.00 H new ATOM 0 HG13 ILE A 45 25.967 14.765 15.918 1.00 0.00 H new ATOM 0 HG21 ILE A 45 23.098 16.743 17.241 1.00 0.00 H new ATOM 0 HG22 ILE A 45 23.399 18.173 16.226 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.766 16.679 15.494 1.00 0.00 H new ATOM 0 HD11 ILE A 45 24.604 13.448 17.464 1.00 0.00 H new ATOM 0 HD12 ILE A 45 25.153 14.951 18.243 1.00 0.00 H new ATOM 0 HD13 ILE A 45 23.478 14.813 17.657 1.00 0.00 H new ATOM 670 N ALA A 46 25.975 19.369 15.055 1.00 0.00 N ATOM 671 CA ALA A 46 25.897 20.818 14.931 1.00 0.00 C ATOM 672 C ALA A 46 26.140 21.237 13.488 1.00 0.00 C ATOM 673 O ALA A 46 25.518 22.174 12.985 1.00 0.00 O ATOM 674 CB ALA A 46 26.899 21.483 15.863 1.00 0.00 C ATOM 0 H ALA A 46 26.749 19.038 15.631 1.00 0.00 H new ATOM 0 HA ALA A 46 24.897 21.142 15.218 1.00 0.00 H new ATOM 0 HB1 ALA A 46 26.829 22.566 15.759 1.00 0.00 H new ATOM 0 HB2 ALA A 46 26.680 21.202 16.893 1.00 0.00 H new ATOM 0 HB3 ALA A 46 27.907 21.158 15.605 1.00 0.00 H new ATOM 680 N GLU A 47 27.045 20.525 12.820 1.00 0.00 N ATOM 681 CA GLU A 47 27.314 20.765 11.409 1.00 0.00 C ATOM 682 C GLU A 47 26.072 20.481 10.573 1.00 0.00 C ATOM 683 O GLU A 47 25.681 21.293 9.737 1.00 0.00 O ATOM 684 CB GLU A 47 28.474 19.897 10.919 1.00 0.00 C ATOM 685 CG GLU A 47 29.821 20.285 11.503 1.00 0.00 C ATOM 686 CD GLU A 47 30.953 19.450 10.942 1.00 0.00 C ATOM 687 OE1 GLU A 47 31.192 19.513 9.715 1.00 0.00 O ATOM 688 OE2 GLU A 47 31.615 18.738 11.721 1.00 0.00 O ATOM 0 H GLU A 47 27.603 19.778 13.235 1.00 0.00 H new ATOM 0 HA GLU A 47 27.589 21.813 11.295 1.00 0.00 H new ATOM 0 HB2 GLU A 47 28.267 18.856 11.168 1.00 0.00 H new ATOM 0 HB3 GLU A 47 28.528 19.960 9.832 1.00 0.00 H new ATOM 0 HG2 GLU A 47 30.013 21.338 11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 47 29.791 20.171 12.587 1.00 0.00 H new ATOM 695 N ALA A 48 25.454 19.328 10.814 1.00 0.00 N ATOM 696 CA ALA A 48 24.245 18.935 10.100 1.00 0.00 C ATOM 697 C ALA A 48 23.125 19.942 10.331 1.00 0.00 C ATOM 698 O ALA A 48 22.412 20.321 9.402 1.00 0.00 O ATOM 699 CB ALA A 48 23.805 17.547 10.538 1.00 0.00 C ATOM 0 H ALA A 48 25.774 18.647 11.503 1.00 0.00 H new ATOM 0 HA ALA A 48 24.469 18.915 9.033 1.00 0.00 H new ATOM 0 HB1 ALA A 48 22.901 17.264 9.998 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.596 16.829 10.322 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.602 17.551 11.609 1.00 0.00 H new ATOM 705 N GLU A 49 22.989 20.378 11.576 1.00 0.00 N ATOM 706 CA GLU A 49 21.998 21.378 11.950 1.00 0.00 C ATOM 707 C GLU A 49 22.139 22.630 11.089 1.00 0.00 C ATOM 708 O GLU A 49 21.180 23.083 10.461 1.00 0.00 O ATOM 709 CB GLU A 49 22.173 21.742 13.423 1.00 0.00 C ATOM 710 CG GLU A 49 21.210 22.803 13.915 1.00 0.00 C ATOM 711 CD GLU A 49 21.525 23.244 15.321 1.00 0.00 C ATOM 712 OE1 GLU A 49 21.112 22.550 16.271 1.00 0.00 O ATOM 713 OE2 GLU A 49 22.199 24.283 15.484 1.00 0.00 O ATOM 0 H GLU A 49 23.561 20.049 12.354 1.00 0.00 H new ATOM 0 HA GLU A 49 21.004 20.961 11.789 1.00 0.00 H new ATOM 0 HB2 GLU A 49 22.046 20.843 14.026 1.00 0.00 H new ATOM 0 HB3 GLU A 49 23.193 22.091 13.582 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.248 23.664 13.248 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.192 22.415 13.876 1.00 0.00 H new ATOM 720 N LYS A 50 23.352 23.160 11.045 1.00 0.00 N ATOM 721 CA LYS A 50 23.634 24.389 10.317 1.00 0.00 C ATOM 722 C LYS A 50 23.667 24.145 8.809 1.00 0.00 C ATOM 723 O LYS A 50 23.688 25.085 8.016 1.00 0.00 O ATOM 724 CB LYS A 50 24.961 24.974 10.804 1.00 0.00 C ATOM 725 CG LYS A 50 24.945 25.292 12.290 1.00 0.00 C ATOM 726 CD LYS A 50 26.344 25.458 12.856 1.00 0.00 C ATOM 727 CE LYS A 50 26.305 25.567 14.372 1.00 0.00 C ATOM 728 NZ LYS A 50 27.659 25.469 14.975 1.00 0.00 N ATOM 0 H LYS A 50 24.164 22.754 11.510 1.00 0.00 H new ATOM 0 HA LYS A 50 22.834 25.104 10.511 1.00 0.00 H new ATOM 0 HB2 LYS A 50 25.764 24.268 10.595 1.00 0.00 H new ATOM 0 HB3 LYS A 50 25.182 25.882 10.243 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.376 26.206 12.458 1.00 0.00 H new ATOM 0 HG3 LYS A 50 24.431 24.494 12.825 1.00 0.00 H new ATOM 0 HD2 LYS A 50 26.962 24.609 12.564 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.808 26.350 12.435 1.00 0.00 H new ATOM 0 HE2 LYS A 50 25.851 26.516 14.655 1.00 0.00 H new ATOM 0 HE3 LYS A 50 25.671 24.777 14.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.585 25.548 16.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 28.084 24.553 14.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 28.258 26.238 14.611 1.00 0.00 H new ATOM 742 N ALA A 51 23.662 22.876 8.418 1.00 0.00 N ATOM 743 CA ALA A 51 23.621 22.508 7.009 1.00 0.00 C ATOM 744 C ALA A 51 22.180 22.440 6.513 1.00 0.00 C ATOM 745 O ALA A 51 21.928 22.371 5.311 1.00 0.00 O ATOM 746 CB ALA A 51 24.326 21.178 6.780 1.00 0.00 C ATOM 0 H ALA A 51 23.686 22.083 9.059 1.00 0.00 H new ATOM 0 HA ALA A 51 24.145 23.277 6.441 1.00 0.00 H new ATOM 0 HB1 ALA A 51 24.284 20.921 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 51 25.367 21.259 7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 51 23.832 20.400 7.362 1.00 0.00 H new ATOM 752 N GLY A 52 21.238 22.464 7.449 1.00 0.00 N ATOM 753 CA GLY A 52 19.833 22.465 7.085 1.00 0.00 C ATOM 754 C GLY A 52 19.148 21.139 7.352 1.00 0.00 C ATOM 755 O GLY A 52 18.062 20.884 6.832 1.00 0.00 O ATOM 0 H GLY A 52 21.421 22.483 8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 52 19.320 23.250 7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 52 19.738 22.710 6.027 1.00 0.00 H new ATOM 759 N VAL A 53 19.775 20.290 8.155 1.00 0.00 N ATOM 760 CA VAL A 53 19.177 19.016 8.520 1.00 0.00 C ATOM 761 C VAL A 53 18.115 19.220 9.596 1.00 0.00 C ATOM 762 O VAL A 53 18.410 19.668 10.704 1.00 0.00 O ATOM 763 CB VAL A 53 20.240 18.003 9.003 1.00 0.00 C ATOM 764 CG1 VAL A 53 19.588 16.719 9.491 1.00 0.00 C ATOM 765 CG2 VAL A 53 21.225 17.704 7.884 1.00 0.00 C ATOM 0 H VAL A 53 20.694 20.461 8.564 1.00 0.00 H new ATOM 0 HA VAL A 53 18.708 18.603 7.627 1.00 0.00 H new ATOM 0 HB VAL A 53 20.779 18.447 9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 53 20.358 16.024 9.825 1.00 0.00 H new ATOM 0 HG12 VAL A 53 18.918 16.944 10.321 1.00 0.00 H new ATOM 0 HG13 VAL A 53 19.020 16.268 8.678 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.969 16.989 8.236 1.00 0.00 H new ATOM 0 HG22 VAL A 53 20.691 17.282 7.032 1.00 0.00 H new ATOM 0 HG23 VAL A 53 21.722 18.626 7.581 1.00 0.00 H new ATOM 775 N LYS A 54 16.877 18.913 9.244 1.00 0.00 N ATOM 776 CA LYS A 54 15.749 19.105 10.141 1.00 0.00 C ATOM 777 C LYS A 54 15.426 17.813 10.887 1.00 0.00 C ATOM 778 O LYS A 54 14.983 17.835 12.036 1.00 0.00 O ATOM 779 CB LYS A 54 14.534 19.575 9.333 1.00 0.00 C ATOM 780 CG LYS A 54 13.284 19.832 10.157 1.00 0.00 C ATOM 781 CD LYS A 54 12.114 20.211 9.263 1.00 0.00 C ATOM 782 CE LYS A 54 10.840 20.452 10.055 1.00 0.00 C ATOM 783 NZ LYS A 54 10.947 21.634 10.947 1.00 0.00 N ATOM 0 H LYS A 54 16.626 18.526 8.334 1.00 0.00 H new ATOM 0 HA LYS A 54 16.007 19.863 10.881 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.799 20.491 8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.306 18.825 8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.033 18.941 10.733 1.00 0.00 H new ATOM 0 HG3 LYS A 54 13.474 20.631 10.873 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.365 21.110 8.700 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.943 19.417 8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.008 20.594 9.366 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.613 19.569 10.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.024 21.820 11.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.655 21.448 11.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.237 22.464 10.391 1.00 0.00 H new ATOM 797 N SER A 55 15.649 16.685 10.232 1.00 0.00 N ATOM 798 CA SER A 55 15.353 15.386 10.817 1.00 0.00 C ATOM 799 C SER A 55 16.257 14.312 10.218 1.00 0.00 C ATOM 800 O SER A 55 17.041 14.590 9.310 1.00 0.00 O ATOM 801 CB SER A 55 13.883 15.035 10.576 1.00 0.00 C ATOM 802 OG SER A 55 13.026 16.055 11.067 1.00 0.00 O ATOM 0 H SER A 55 16.036 16.643 9.289 1.00 0.00 H new ATOM 0 HA SER A 55 15.539 15.431 11.890 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.710 14.893 9.509 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.647 14.090 11.066 1.00 0.00 H new ATOM 0 HG SER A 55 12.149 15.981 10.636 1.00 0.00 H new ATOM 808 N VAL A 56 16.158 13.097 10.734 1.00 0.00 N ATOM 809 CA VAL A 56 16.920 11.975 10.208 1.00 0.00 C ATOM 810 C VAL A 56 16.005 10.782 9.947 1.00 0.00 C ATOM 811 O VAL A 56 15.012 10.581 10.659 1.00 0.00 O ATOM 812 CB VAL A 56 18.065 11.552 11.163 1.00 0.00 C ATOM 813 CG1 VAL A 56 19.097 12.662 11.297 1.00 0.00 C ATOM 814 CG2 VAL A 56 17.526 11.159 12.530 1.00 0.00 C ATOM 0 H VAL A 56 15.554 12.862 11.521 1.00 0.00 H new ATOM 0 HA VAL A 56 17.367 12.305 9.270 1.00 0.00 H new ATOM 0 HB VAL A 56 18.552 10.679 10.728 1.00 0.00 H new ATOM 0 HG11 VAL A 56 19.890 12.342 11.972 1.00 0.00 H new ATOM 0 HG12 VAL A 56 19.521 12.884 10.318 1.00 0.00 H new ATOM 0 HG13 VAL A 56 18.619 13.556 11.697 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.353 10.867 13.177 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.001 12.006 12.971 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.837 10.321 12.422 1.00 0.00 H new ATOM 824 N PRO A 57 16.313 9.975 8.916 1.00 0.00 N ATOM 825 CA PRO A 57 17.466 10.189 8.036 1.00 0.00 C ATOM 826 C PRO A 57 17.216 11.288 7.004 1.00 0.00 C ATOM 827 O PRO A 57 16.083 11.509 6.579 1.00 0.00 O ATOM 828 CB PRO A 57 17.646 8.834 7.329 1.00 0.00 C ATOM 829 CG PRO A 57 16.629 7.913 7.927 1.00 0.00 C ATOM 830 CD PRO A 57 15.565 8.782 8.527 1.00 0.00 C ATOM 0 HA PRO A 57 18.342 10.512 8.598 1.00 0.00 H new ATOM 0 HB2 PRO A 57 17.497 8.933 6.254 1.00 0.00 H new ATOM 0 HB3 PRO A 57 18.655 8.449 7.477 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.208 7.254 7.167 1.00 0.00 H new ATOM 0 HG3 PRO A 57 17.082 7.275 8.686 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.777 9.013 7.810 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.087 8.306 9.383 1.00 0.00 H new ATOM 838 N ALA A 58 18.277 11.969 6.600 1.00 0.00 N ATOM 839 CA ALA A 58 18.162 13.056 5.641 1.00 0.00 C ATOM 840 C ALA A 58 19.201 12.921 4.539 1.00 0.00 C ATOM 841 O ALA A 58 20.403 12.957 4.798 1.00 0.00 O ATOM 842 CB ALA A 58 18.311 14.398 6.341 1.00 0.00 C ATOM 0 H ALA A 58 19.228 11.788 6.922 1.00 0.00 H new ATOM 0 HA ALA A 58 17.173 13.003 5.187 1.00 0.00 H new ATOM 0 HB1 ALA A 58 18.223 15.202 5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.530 14.505 7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.288 14.451 6.822 1.00 0.00 H new ATOM 848 N LEU A 59 18.736 12.755 3.312 1.00 0.00 N ATOM 849 CA LEU A 59 19.625 12.668 2.169 1.00 0.00 C ATOM 850 C LEU A 59 19.653 14.013 1.455 1.00 0.00 C ATOM 851 O LEU A 59 18.716 14.374 0.746 1.00 0.00 O ATOM 852 CB LEU A 59 19.166 11.556 1.216 1.00 0.00 C ATOM 853 CG LEU A 59 20.279 10.851 0.423 1.00 0.00 C ATOM 854 CD1 LEU A 59 19.710 9.668 -0.344 1.00 0.00 C ATOM 855 CD2 LEU A 59 20.976 11.808 -0.534 1.00 0.00 C ATOM 0 H LEU A 59 17.745 12.678 3.083 1.00 0.00 H new ATOM 0 HA LEU A 59 20.631 12.422 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 59 18.628 10.806 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 59 18.455 11.981 0.508 1.00 0.00 H new ATOM 0 HG LEU A 59 21.020 10.493 1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 59 20.508 9.178 -0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 59 19.268 8.959 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 59 18.945 10.018 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 59 21.756 11.275 -1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 59 20.250 12.208 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 59 21.422 12.627 0.031 1.00 0.00 H new ATOM 867 N VAL A 60 20.712 14.765 1.683 1.00 0.00 N ATOM 868 CA VAL A 60 20.868 16.078 1.082 1.00 0.00 C ATOM 869 C VAL A 60 21.334 15.937 -0.362 1.00 0.00 C ATOM 870 O VAL A 60 22.527 15.811 -0.629 1.00 0.00 O ATOM 871 CB VAL A 60 21.876 16.939 1.875 1.00 0.00 C ATOM 872 CG1 VAL A 60 21.980 18.337 1.291 1.00 0.00 C ATOM 873 CG2 VAL A 60 21.486 17.002 3.346 1.00 0.00 C ATOM 0 H VAL A 60 21.486 14.486 2.287 1.00 0.00 H new ATOM 0 HA VAL A 60 19.900 16.578 1.105 1.00 0.00 H new ATOM 0 HB VAL A 60 22.855 16.467 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 60 22.696 18.920 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 60 22.314 18.275 0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 60 21.004 18.821 1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 60 22.208 17.613 3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 60 20.494 17.443 3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 60 21.477 15.995 3.763 1.00 0.00 H new ATOM 883 N ILE A 61 20.390 15.957 -1.290 1.00 0.00 N ATOM 884 CA ILE A 61 20.701 15.766 -2.695 1.00 0.00 C ATOM 885 C ILE A 61 20.976 17.103 -3.362 1.00 0.00 C ATOM 886 O ILE A 61 20.079 17.940 -3.482 1.00 0.00 O ATOM 887 CB ILE A 61 19.547 15.061 -3.447 1.00 0.00 C ATOM 888 CG1 ILE A 61 19.251 13.700 -2.814 1.00 0.00 C ATOM 889 CG2 ILE A 61 19.891 14.898 -4.923 1.00 0.00 C ATOM 890 CD1 ILE A 61 18.089 12.966 -3.448 1.00 0.00 C ATOM 0 H ILE A 61 19.400 16.104 -1.093 1.00 0.00 H new ATOM 0 HA ILE A 61 21.587 15.133 -2.744 1.00 0.00 H new ATOM 0 HB ILE A 61 18.654 15.682 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.143 13.077 -2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.043 13.842 -1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.068 14.400 -5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.056 15.879 -5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 61 20.796 14.298 -5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 61 17.943 12.011 -2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.185 13.567 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.301 12.791 -4.503 1.00 0.00 H new ATOM 902 N ASP A 62 22.243 17.316 -3.733 1.00 0.00 N ATOM 903 CA ASP A 62 22.658 18.491 -4.507 1.00 0.00 C ATOM 904 C ASP A 62 22.591 19.769 -3.665 1.00 0.00 C ATOM 905 O ASP A 62 22.982 20.847 -4.110 1.00 0.00 O ATOM 906 CB ASP A 62 21.800 18.619 -5.778 1.00 0.00 C ATOM 907 CG ASP A 62 22.263 19.722 -6.706 1.00 0.00 C ATOM 908 OD1 ASP A 62 23.306 19.546 -7.374 1.00 0.00 O ATOM 909 OD2 ASP A 62 21.576 20.764 -6.789 1.00 0.00 O ATOM 0 H ASP A 62 23.008 16.681 -3.506 1.00 0.00 H new ATOM 0 HA ASP A 62 23.698 18.354 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 62 21.816 17.671 -6.316 1.00 0.00 H new ATOM 0 HB3 ASP A 62 20.765 18.805 -5.492 1.00 0.00 H new ATOM 914 N GLY A 63 22.127 19.639 -2.430 1.00 0.00 N ATOM 915 CA GLY A 63 21.999 20.792 -1.565 1.00 0.00 C ATOM 916 C GLY A 63 20.707 20.779 -0.773 1.00 0.00 C ATOM 917 O GLY A 63 20.649 21.297 0.343 1.00 0.00 O ATOM 0 H GLY A 63 21.837 18.755 -2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 63 22.844 20.822 -0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.045 21.700 -2.166 1.00 0.00 H new ATOM 921 N ALA A 64 19.673 20.173 -1.343 1.00 0.00 N ATOM 922 CA ALA A 64 18.375 20.104 -0.686 1.00 0.00 C ATOM 923 C ALA A 64 18.272 18.847 0.168 1.00 0.00 C ATOM 924 O ALA A 64 18.537 17.745 -0.305 1.00 0.00 O ATOM 925 CB ALA A 64 17.259 20.139 -1.719 1.00 0.00 C ATOM 0 H ALA A 64 19.708 19.723 -2.258 1.00 0.00 H new ATOM 0 HA ALA A 64 18.272 20.970 -0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.294 20.087 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.320 21.066 -2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.362 19.290 -2.394 1.00 0.00 H new ATOM 931 N ALA A 65 17.894 19.019 1.426 1.00 0.00 N ATOM 932 CA ALA A 65 17.786 17.900 2.351 1.00 0.00 C ATOM 933 C ALA A 65 16.474 17.149 2.152 1.00 0.00 C ATOM 934 O ALA A 65 15.392 17.721 2.297 1.00 0.00 O ATOM 935 CB ALA A 65 17.903 18.388 3.787 1.00 0.00 C ATOM 0 H ALA A 65 17.656 19.925 1.831 1.00 0.00 H new ATOM 0 HA ALA A 65 18.605 17.211 2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 65 17.820 17.540 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 65 18.868 18.874 3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.104 19.100 3.996 1.00 0.00 H new ATOM 941 N PHE A 66 16.575 15.876 1.803 1.00 0.00 N ATOM 942 CA PHE A 66 15.402 15.033 1.627 1.00 0.00 C ATOM 943 C PHE A 66 15.333 13.981 2.725 1.00 0.00 C ATOM 944 O PHE A 66 16.114 13.032 2.750 1.00 0.00 O ATOM 945 CB PHE A 66 15.423 14.372 0.249 1.00 0.00 C ATOM 946 CG PHE A 66 15.325 15.360 -0.875 1.00 0.00 C ATOM 947 CD1 PHE A 66 14.128 16.000 -1.143 1.00 0.00 C ATOM 948 CD2 PHE A 66 16.429 15.658 -1.654 1.00 0.00 C ATOM 949 CE1 PHE A 66 14.032 16.918 -2.168 1.00 0.00 C ATOM 950 CE2 PHE A 66 16.340 16.576 -2.681 1.00 0.00 C ATOM 951 CZ PHE A 66 15.139 17.207 -2.937 1.00 0.00 C ATOM 0 H PHE A 66 17.462 15.402 1.635 1.00 0.00 H new ATOM 0 HA PHE A 66 14.512 15.658 1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.343 13.797 0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.596 13.666 0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.258 15.778 -0.542 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.370 15.167 -1.456 1.00 0.00 H new ATOM 0 HE1 PHE A 66 13.091 17.409 -2.368 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.208 16.800 -3.283 1.00 0.00 H new ATOM 0 HZ PHE A 66 15.067 17.927 -3.739 1.00 0.00 H new ATOM 961 N HIS A 67 14.398 14.170 3.638 1.00 0.00 N ATOM 962 CA HIS A 67 14.263 13.306 4.802 1.00 0.00 C ATOM 963 C HIS A 67 13.512 12.029 4.439 1.00 0.00 C ATOM 964 O HIS A 67 12.310 12.059 4.192 1.00 0.00 O ATOM 965 CB HIS A 67 13.527 14.052 5.920 1.00 0.00 C ATOM 966 CG HIS A 67 14.151 15.372 6.266 1.00 0.00 C ATOM 967 ND1 HIS A 67 13.850 16.556 5.626 1.00 0.00 N ATOM 968 CD2 HIS A 67 15.081 15.682 7.200 1.00 0.00 C ATOM 969 CE1 HIS A 67 14.591 17.524 6.178 1.00 0.00 C ATOM 970 NE2 HIS A 67 15.356 17.047 7.142 1.00 0.00 N ATOM 0 H HIS A 67 13.712 14.923 3.596 1.00 0.00 H new ATOM 0 HA HIS A 67 15.259 13.031 5.150 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.493 14.215 5.618 1.00 0.00 H new ATOM 0 HB3 HIS A 67 13.504 13.425 6.811 1.00 0.00 H new ATOM 0 HD1 HIS A 67 13.180 16.673 4.866 1.00 0.00 H new ATOM 0 HD2 HIS A 67 15.538 14.981 7.883 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.566 18.560 5.874 1.00 0.00 H new ATOM 978 N ILE A 68 14.224 10.915 4.410 1.00 0.00 N ATOM 979 CA ILE A 68 13.643 9.646 3.991 1.00 0.00 C ATOM 980 C ILE A 68 13.052 8.906 5.183 1.00 0.00 C ATOM 981 O ILE A 68 13.788 8.355 6.000 1.00 0.00 O ATOM 982 CB ILE A 68 14.692 8.746 3.309 1.00 0.00 C ATOM 983 CG1 ILE A 68 15.407 9.515 2.196 1.00 0.00 C ATOM 984 CG2 ILE A 68 14.031 7.489 2.749 1.00 0.00 C ATOM 985 CD1 ILE A 68 16.572 8.764 1.593 1.00 0.00 C ATOM 0 H ILE A 68 15.208 10.861 4.672 1.00 0.00 H new ATOM 0 HA ILE A 68 12.854 9.873 3.274 1.00 0.00 H new ATOM 0 HB ILE A 68 15.430 8.446 4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.690 9.749 1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.765 10.465 2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.785 6.864 2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 68 13.560 6.933 3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.275 7.771 2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 68 17.030 9.370 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 68 17.309 8.553 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 68 16.218 7.826 1.164 1.00 0.00 H new ATOM 997 N ASN A 69 11.722 8.899 5.258 1.00 0.00 N ATOM 998 CA ASN A 69 10.990 8.279 6.366 1.00 0.00 C ATOM 999 C ASN A 69 11.309 8.968 7.688 1.00 0.00 C ATOM 1000 O ASN A 69 12.315 8.676 8.333 1.00 0.00 O ATOM 1001 CB ASN A 69 11.281 6.777 6.464 1.00 0.00 C ATOM 1002 CG ASN A 69 10.555 5.954 5.416 1.00 0.00 C ATOM 1003 OD1 ASN A 69 10.236 6.436 4.328 1.00 0.00 O ATOM 1004 ND2 ASN A 69 10.291 4.696 5.737 1.00 0.00 N ATOM 0 H ASN A 69 11.119 9.323 4.553 1.00 0.00 H new ATOM 0 HA ASN A 69 9.927 8.403 6.159 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.354 6.615 6.364 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.996 6.423 7.455 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.808 4.091 5.073 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.571 4.333 6.648 1.00 0.00 H new ATOM 1011 N PHE A 70 10.440 9.890 8.082 1.00 0.00 N ATOM 1012 CA PHE A 70 10.629 10.655 9.308 1.00 0.00 C ATOM 1013 C PHE A 70 10.619 9.743 10.531 1.00 0.00 C ATOM 1014 O PHE A 70 9.568 9.254 10.949 1.00 0.00 O ATOM 1015 CB PHE A 70 9.538 11.727 9.433 1.00 0.00 C ATOM 1016 CG PHE A 70 9.607 12.528 10.704 1.00 0.00 C ATOM 1017 CD1 PHE A 70 10.605 13.467 10.894 1.00 0.00 C ATOM 1018 CD2 PHE A 70 8.671 12.339 11.709 1.00 0.00 C ATOM 1019 CE1 PHE A 70 10.669 14.204 12.060 1.00 0.00 C ATOM 1020 CE2 PHE A 70 8.730 13.073 12.878 1.00 0.00 C ATOM 1021 CZ PHE A 70 9.731 14.008 13.054 1.00 0.00 C ATOM 0 H PHE A 70 9.592 10.127 7.567 1.00 0.00 H new ATOM 0 HA PHE A 70 11.603 11.143 9.260 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.612 12.406 8.584 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.562 11.246 9.372 1.00 0.00 H new ATOM 0 HD1 PHE A 70 11.343 13.626 10.121 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.886 11.609 11.577 1.00 0.00 H new ATOM 0 HE1 PHE A 70 11.453 14.934 12.195 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.994 12.916 13.653 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.780 14.584 13.966 1.00 0.00 H new ATOM 1031 N GLY A 71 11.797 9.502 11.086 1.00 0.00 N ATOM 1032 CA GLY A 71 11.906 8.710 12.289 1.00 0.00 C ATOM 1033 C GLY A 71 12.175 9.570 13.504 1.00 0.00 C ATOM 1034 O GLY A 71 11.470 9.483 14.510 1.00 0.00 O ATOM 0 H GLY A 71 12.685 9.845 10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.985 8.147 12.439 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.709 7.982 12.174 1.00 0.00 H new ATOM 1038 N ALA A 72 13.195 10.411 13.409 1.00 0.00 N ATOM 1039 CA ALA A 72 13.543 11.304 14.503 1.00 0.00 C ATOM 1040 C ALA A 72 13.928 12.677 13.968 1.00 0.00 C ATOM 1041 O ALA A 72 14.633 12.784 12.969 1.00 0.00 O ATOM 1042 CB ALA A 72 14.681 10.719 15.327 1.00 0.00 C ATOM 0 H ALA A 72 13.794 10.493 12.588 1.00 0.00 H new ATOM 0 HA ALA A 72 12.671 11.415 15.147 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.928 11.400 16.141 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.375 9.757 15.739 1.00 0.00 H new ATOM 0 HB3 ALA A 72 15.556 10.580 14.692 1.00 0.00 H new ATOM 1048 N GLY A 73 13.440 13.720 14.626 1.00 0.00 N ATOM 1049 CA GLY A 73 13.847 15.067 14.273 1.00 0.00 C ATOM 1050 C GLY A 73 15.183 15.412 14.893 1.00 0.00 C ATOM 1051 O GLY A 73 15.645 14.721 15.801 1.00 0.00 O ATOM 0 H GLY A 73 12.772 13.659 15.395 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.911 15.158 13.189 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.092 15.778 14.609 1.00 0.00 H new ATOM 1055 N ILE A 74 15.815 16.480 14.421 1.00 0.00 N ATOM 1056 CA ILE A 74 17.108 16.877 14.963 1.00 0.00 C ATOM 1057 C ILE A 74 16.925 17.532 16.335 1.00 0.00 C ATOM 1058 O ILE A 74 17.891 17.796 17.054 1.00 0.00 O ATOM 1059 CB ILE A 74 17.869 17.823 14.006 1.00 0.00 C ATOM 1060 CG1 ILE A 74 19.337 17.942 14.431 1.00 0.00 C ATOM 1061 CG2 ILE A 74 17.206 19.192 13.967 1.00 0.00 C ATOM 1062 CD1 ILE A 74 20.201 18.692 13.444 1.00 0.00 C ATOM 0 H ILE A 74 15.460 17.079 13.675 1.00 0.00 H new ATOM 0 HA ILE A 74 17.712 15.977 15.075 1.00 0.00 H new ATOM 0 HB ILE A 74 17.835 17.401 13.001 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.386 18.445 15.397 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.747 16.942 14.571 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.756 19.844 13.288 1.00 0.00 H new ATOM 0 HG22 ILE A 74 16.179 19.089 13.618 1.00 0.00 H new ATOM 0 HG23 ILE A 74 17.208 19.626 14.967 1.00 0.00 H new ATOM 0 HD11 ILE A 74 21.225 18.734 13.815 1.00 0.00 H new ATOM 0 HD12 ILE A 74 20.184 18.179 12.482 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.818 19.705 13.321 1.00 0.00 H new ATOM 1074 N ASP A 75 15.670 17.783 16.689 1.00 0.00 N ATOM 1075 CA ASP A 75 15.329 18.247 18.027 1.00 0.00 C ATOM 1076 C ASP A 75 15.551 17.126 19.033 1.00 0.00 C ATOM 1077 O ASP A 75 16.111 17.339 20.105 1.00 0.00 O ATOM 1078 CB ASP A 75 13.872 18.714 18.082 1.00 0.00 C ATOM 1079 CG ASP A 75 13.442 19.105 19.481 1.00 0.00 C ATOM 1080 OD1 ASP A 75 13.805 20.215 19.931 1.00 0.00 O ATOM 1081 OD2 ASP A 75 12.721 18.319 20.131 1.00 0.00 O ATOM 0 H ASP A 75 14.870 17.672 16.066 1.00 0.00 H new ATOM 0 HA ASP A 75 15.972 19.091 18.277 1.00 0.00 H new ATOM 0 HB2 ASP A 75 13.741 19.565 17.414 1.00 0.00 H new ATOM 0 HB3 ASP A 75 13.224 17.918 17.715 1.00 0.00 H new ATOM 1086 N ASP A 76 15.130 15.923 18.649 1.00 0.00 N ATOM 1087 CA ASP A 76 15.304 14.728 19.475 1.00 0.00 C ATOM 1088 C ASP A 76 16.772 14.324 19.515 1.00 0.00 C ATOM 1089 O ASP A 76 17.189 13.512 20.341 1.00 0.00 O ATOM 1090 CB ASP A 76 14.478 13.563 18.914 1.00 0.00 C ATOM 1091 CG ASP A 76 12.998 13.875 18.817 1.00 0.00 C ATOM 1092 OD1 ASP A 76 12.594 14.563 17.857 1.00 0.00 O ATOM 1093 OD2 ASP A 76 12.231 13.426 19.693 1.00 0.00 O ATOM 0 H ASP A 76 14.660 15.748 17.761 1.00 0.00 H new ATOM 0 HA ASP A 76 14.962 14.960 20.484 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.854 13.303 17.925 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.618 12.688 19.549 1.00 0.00 H new ATOM 1098 N LEU A 77 17.547 14.894 18.605 1.00 0.00 N ATOM 1099 CA LEU A 77 18.966 14.599 18.500 1.00 0.00 C ATOM 1100 C LEU A 77 19.765 15.487 19.455 1.00 0.00 C ATOM 1101 O LEU A 77 20.973 15.318 19.619 1.00 0.00 O ATOM 1102 CB LEU A 77 19.424 14.808 17.052 1.00 0.00 C ATOM 1103 CG LEU A 77 20.813 14.268 16.706 1.00 0.00 C ATOM 1104 CD1 LEU A 77 20.889 12.774 16.983 1.00 0.00 C ATOM 1105 CD2 LEU A 77 21.142 14.557 15.249 1.00 0.00 C ATOM 0 H LEU A 77 17.211 15.572 17.921 1.00 0.00 H new ATOM 0 HA LEU A 77 19.141 13.560 18.780 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.697 14.337 16.390 1.00 0.00 H new ATOM 0 HB3 LEU A 77 19.407 15.876 16.836 1.00 0.00 H new ATOM 0 HG LEU A 77 21.548 14.771 17.335 1.00 0.00 H new ATOM 0 HD11 LEU A 77 21.884 12.407 16.731 1.00 0.00 H new ATOM 0 HD12 LEU A 77 20.691 12.589 18.039 1.00 0.00 H new ATOM 0 HD13 LEU A 77 20.147 12.254 16.378 1.00 0.00 H new ATOM 0 HD21 LEU A 77 22.133 14.168 15.016 1.00 0.00 H new ATOM 0 HD22 LEU A 77 20.403 14.077 14.607 1.00 0.00 H new ATOM 0 HD23 LEU A 77 21.126 15.634 15.079 1.00 0.00 H new ATOM 1117 N LYS A 78 19.078 16.432 20.084 1.00 0.00 N ATOM 1118 CA LYS A 78 19.700 17.320 21.058 1.00 0.00 C ATOM 1119 C LYS A 78 18.964 17.246 22.388 1.00 0.00 C ATOM 1120 O LYS A 78 17.807 16.832 22.440 1.00 0.00 O ATOM 1121 CB LYS A 78 19.696 18.770 20.560 1.00 0.00 C ATOM 1122 CG LYS A 78 20.618 19.033 19.380 1.00 0.00 C ATOM 1123 CD LYS A 78 20.729 20.524 19.100 1.00 0.00 C ATOM 1124 CE LYS A 78 19.443 21.096 18.521 1.00 0.00 C ATOM 1125 NZ LYS A 78 19.316 20.814 17.067 1.00 0.00 N ATOM 0 H LYS A 78 18.084 16.604 19.936 1.00 0.00 H new ATOM 0 HA LYS A 78 20.732 16.995 21.193 1.00 0.00 H new ATOM 0 HB2 LYS A 78 18.679 19.041 20.278 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.984 19.424 21.383 1.00 0.00 H new ATOM 0 HG2 LYS A 78 21.607 18.623 19.587 1.00 0.00 H new ATOM 0 HG3 LYS A 78 20.239 18.520 18.496 1.00 0.00 H new ATOM 0 HD2 LYS A 78 20.975 21.048 20.023 1.00 0.00 H new ATOM 0 HD3 LYS A 78 21.549 20.702 18.405 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.588 20.674 19.049 1.00 0.00 H new ATOM 0 HE3 LYS A 78 19.419 22.173 18.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.310 20.788 16.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.795 21.561 16.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.754 19.895 16.852 1.00 0.00 H new ATOM 1177 N ALA B 2 14.194 -2.655 -15.832 1.00 0.00 N ATOM 1178 CA ALA B 2 14.272 -2.418 -14.399 1.00 0.00 C ATOM 1179 C ALA B 2 12.917 -2.646 -13.745 1.00 0.00 C ATOM 1180 O ALA B 2 11.978 -3.124 -14.388 1.00 0.00 O ATOM 1181 CB ALA B 2 14.761 -1.003 -14.127 1.00 0.00 C ATOM 0 HA ALA B 2 14.983 -3.123 -13.969 1.00 0.00 H new ATOM 0 HB1 ALA B 2 14.815 -0.837 -13.051 1.00 0.00 H new ATOM 0 HB2 ALA B 2 15.750 -0.869 -14.565 1.00 0.00 H new ATOM 0 HB3 ALA B 2 14.068 -0.287 -14.570 1.00 0.00 H new ATOM 1187 N SER B 3 12.822 -2.317 -12.469 1.00 0.00 N ATOM 1188 CA SER B 3 11.575 -2.454 -11.743 1.00 0.00 C ATOM 1189 C SER B 3 10.799 -1.139 -11.749 1.00 0.00 C ATOM 1190 O SER B 3 11.263 -0.135 -12.300 1.00 0.00 O ATOM 1191 CB SER B 3 11.855 -2.922 -10.315 1.00 0.00 C ATOM 1192 OG SER B 3 12.931 -2.206 -9.734 1.00 0.00 O ATOM 0 H SER B 3 13.596 -1.952 -11.914 1.00 0.00 H new ATOM 0 HA SER B 3 10.958 -3.203 -12.238 1.00 0.00 H new ATOM 0 HB2 SER B 3 10.960 -2.792 -9.707 1.00 0.00 H new ATOM 0 HB3 SER B 3 12.086 -3.987 -10.319 1.00 0.00 H new ATOM 0 HG SER B 3 13.192 -2.634 -8.892 1.00 0.00 H new ATOM 1198 N LYS B 4 9.623 -1.150 -11.139 1.00 0.00 N ATOM 1199 CA LYS B 4 8.739 0.005 -11.162 1.00 0.00 C ATOM 1200 C LYS B 4 9.055 0.961 -10.012 1.00 0.00 C ATOM 1201 O LYS B 4 9.105 0.556 -8.851 1.00 0.00 O ATOM 1202 CB LYS B 4 7.282 -0.455 -11.067 1.00 0.00 C ATOM 1203 CG LYS B 4 6.273 0.637 -11.377 1.00 0.00 C ATOM 1204 CD LYS B 4 6.308 1.013 -12.854 1.00 0.00 C ATOM 1205 CE LYS B 4 5.362 2.161 -13.181 1.00 0.00 C ATOM 1206 NZ LYS B 4 3.933 1.817 -12.939 1.00 0.00 N ATOM 0 H LYS B 4 9.258 -1.949 -10.620 1.00 0.00 H new ATOM 0 HA LYS B 4 8.894 0.536 -12.101 1.00 0.00 H new ATOM 0 HB2 LYS B 4 7.127 -1.286 -11.756 1.00 0.00 H new ATOM 0 HB3 LYS B 4 7.095 -0.835 -10.062 1.00 0.00 H new ATOM 0 HG2 LYS B 4 5.272 0.299 -11.108 1.00 0.00 H new ATOM 0 HG3 LYS B 4 6.486 1.517 -10.769 1.00 0.00 H new ATOM 0 HD2 LYS B 4 7.324 1.292 -13.131 1.00 0.00 H new ATOM 0 HD3 LYS B 4 6.041 0.143 -13.454 1.00 0.00 H new ATOM 0 HE2 LYS B 4 5.629 3.029 -12.578 1.00 0.00 H new ATOM 0 HE3 LYS B 4 5.491 2.446 -14.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 3.329 2.608 -13.241 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 3.684 0.965 -13.481 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 3.786 1.637 -11.925 1.00 0.00 H new ATOM 1220 N ALA B 5 9.278 2.227 -10.343 1.00 0.00 N ATOM 1221 CA ALA B 5 9.475 3.261 -9.338 1.00 0.00 C ATOM 1222 C ALA B 5 8.401 4.334 -9.481 1.00 0.00 C ATOM 1223 O ALA B 5 8.507 5.226 -10.319 1.00 0.00 O ATOM 1224 CB ALA B 5 10.866 3.868 -9.459 1.00 0.00 C ATOM 0 H ALA B 5 9.327 2.562 -11.305 1.00 0.00 H new ATOM 0 HA ALA B 5 9.390 2.812 -8.348 1.00 0.00 H new ATOM 0 HB1 ALA B 5 10.994 4.639 -8.699 1.00 0.00 H new ATOM 0 HB2 ALA B 5 11.616 3.090 -9.317 1.00 0.00 H new ATOM 0 HB3 ALA B 5 10.985 4.310 -10.448 1.00 0.00 H new ATOM 1230 N ILE B 6 7.358 4.229 -8.676 1.00 0.00 N ATOM 1231 CA ILE B 6 6.205 5.115 -8.797 1.00 0.00 C ATOM 1232 C ILE B 6 6.170 6.162 -7.689 1.00 0.00 C ATOM 1233 O ILE B 6 6.019 5.835 -6.515 1.00 0.00 O ATOM 1234 CB ILE B 6 4.883 4.318 -8.796 1.00 0.00 C ATOM 1235 CG1 ILE B 6 4.959 3.154 -7.800 1.00 0.00 C ATOM 1236 CG2 ILE B 6 4.568 3.817 -10.194 1.00 0.00 C ATOM 1237 CD1 ILE B 6 3.722 2.280 -7.773 1.00 0.00 C ATOM 0 H ILE B 6 7.282 3.539 -7.929 1.00 0.00 H new ATOM 0 HA ILE B 6 6.310 5.630 -9.752 1.00 0.00 H new ATOM 0 HB ILE B 6 4.076 4.980 -8.481 1.00 0.00 H new ATOM 0 HG12 ILE B 6 5.822 2.536 -8.046 1.00 0.00 H new ATOM 0 HG13 ILE B 6 5.129 3.555 -6.801 1.00 0.00 H new ATOM 0 HG21 ILE B 6 3.633 3.257 -10.178 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.471 4.665 -10.871 1.00 0.00 H new ATOM 0 HG23 ILE B 6 5.374 3.168 -10.538 1.00 0.00 H new ATOM 0 HD11 ILE B 6 3.857 1.481 -7.044 1.00 0.00 H new ATOM 0 HD12 ILE B 6 2.857 2.882 -7.496 1.00 0.00 H new ATOM 0 HD13 ILE B 6 3.561 1.847 -8.760 1.00 0.00 H new ATOM 1249 N PHE B 7 6.301 7.420 -8.077 1.00 0.00 N ATOM 1250 CA PHE B 7 6.275 8.523 -7.128 1.00 0.00 C ATOM 1251 C PHE B 7 4.845 9.020 -6.968 1.00 0.00 C ATOM 1252 O PHE B 7 4.141 9.225 -7.956 1.00 0.00 O ATOM 1253 CB PHE B 7 7.186 9.659 -7.613 1.00 0.00 C ATOM 1254 CG PHE B 7 7.425 10.741 -6.594 1.00 0.00 C ATOM 1255 CD1 PHE B 7 6.529 11.786 -6.442 1.00 0.00 C ATOM 1256 CD2 PHE B 7 8.557 10.717 -5.795 1.00 0.00 C ATOM 1257 CE1 PHE B 7 6.755 12.782 -5.512 1.00 0.00 C ATOM 1258 CE2 PHE B 7 8.787 11.709 -4.861 1.00 0.00 C ATOM 1259 CZ PHE B 7 7.884 12.744 -4.720 1.00 0.00 C ATOM 0 H PHE B 7 6.427 7.705 -9.048 1.00 0.00 H new ATOM 0 HA PHE B 7 6.642 8.177 -6.162 1.00 0.00 H new ATOM 0 HB2 PHE B 7 8.146 9.237 -7.909 1.00 0.00 H new ATOM 0 HB3 PHE B 7 6.746 10.106 -8.504 1.00 0.00 H new ATOM 0 HD1 PHE B 7 5.643 11.823 -7.058 1.00 0.00 H new ATOM 0 HD2 PHE B 7 9.269 9.912 -5.904 1.00 0.00 H new ATOM 0 HE1 PHE B 7 6.048 13.591 -5.405 1.00 0.00 H new ATOM 0 HE2 PHE B 7 9.672 11.675 -4.242 1.00 0.00 H new ATOM 0 HZ PHE B 7 8.061 13.522 -3.992 1.00 0.00 H new ATOM 1269 N TYR B 8 4.420 9.209 -5.729 1.00 0.00 N ATOM 1270 CA TYR B 8 3.061 9.646 -5.444 1.00 0.00 C ATOM 1271 C TYR B 8 3.062 10.935 -4.635 1.00 0.00 C ATOM 1272 O TYR B 8 3.649 11.003 -3.553 1.00 0.00 O ATOM 1273 CB TYR B 8 2.291 8.563 -4.684 1.00 0.00 C ATOM 1274 CG TYR B 8 1.892 7.381 -5.537 1.00 0.00 C ATOM 1275 CD1 TYR B 8 0.686 7.378 -6.223 1.00 0.00 C ATOM 1276 CD2 TYR B 8 2.716 6.270 -5.657 1.00 0.00 C ATOM 1277 CE1 TYR B 8 0.311 6.305 -7.006 1.00 0.00 C ATOM 1278 CE2 TYR B 8 2.348 5.192 -6.439 1.00 0.00 C ATOM 1279 CZ TYR B 8 1.144 5.216 -7.111 1.00 0.00 C ATOM 1280 OH TYR B 8 0.772 4.147 -7.895 1.00 0.00 O ATOM 0 H TYR B 8 4.998 9.066 -4.901 1.00 0.00 H new ATOM 0 HA TYR B 8 2.567 9.830 -6.398 1.00 0.00 H new ATOM 0 HB2 TYR B 8 2.904 8.210 -3.855 1.00 0.00 H new ATOM 0 HB3 TYR B 8 1.394 9.005 -4.251 1.00 0.00 H new ATOM 0 HD1 TYR B 8 0.029 8.231 -6.143 1.00 0.00 H new ATOM 0 HD2 TYR B 8 3.659 6.248 -5.131 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -0.631 6.321 -7.533 1.00 0.00 H new ATOM 0 HE2 TYR B 8 3.000 4.335 -6.524 1.00 0.00 H new ATOM 0 HH TYR B 8 0.210 4.463 -8.633 1.00 0.00 H new ATOM 1290 N HIS B 9 2.408 11.957 -5.165 1.00 0.00 N ATOM 1291 CA HIS B 9 2.282 13.220 -4.456 1.00 0.00 C ATOM 1292 C HIS B 9 0.943 13.879 -4.759 1.00 0.00 C ATOM 1293 O HIS B 9 0.229 13.463 -5.669 1.00 0.00 O ATOM 1294 CB HIS B 9 3.436 14.168 -4.800 1.00 0.00 C ATOM 1295 CG HIS B 9 3.478 14.641 -6.223 1.00 0.00 C ATOM 1296 ND1 HIS B 9 2.797 15.764 -6.626 1.00 0.00 N ATOM 1297 CD2 HIS B 9 4.176 14.148 -7.271 1.00 0.00 C ATOM 1298 CE1 HIS B 9 3.103 15.929 -7.902 1.00 0.00 C ATOM 1299 NE2 HIS B 9 3.939 14.975 -8.338 1.00 0.00 N ATOM 0 H HIS B 9 1.958 11.937 -6.080 1.00 0.00 H new ATOM 0 HA HIS B 9 2.328 13.006 -3.388 1.00 0.00 H new ATOM 0 HB2 HIS B 9 3.375 15.039 -4.147 1.00 0.00 H new ATOM 0 HB3 HIS B 9 4.376 13.665 -4.574 1.00 0.00 H new ATOM 0 HD2 HIS B 9 4.802 13.268 -7.268 1.00 0.00 H new ATOM 0 HE1 HIS B 9 2.726 16.733 -8.517 1.00 0.00 H new ATOM 0 HE2 HIS B 9 4.323 14.883 -9.279 1.00 0.00 H new ATOM 1307 N ALA B 10 0.610 14.907 -3.990 1.00 0.00 N ATOM 1308 CA ALA B 10 -0.662 15.593 -4.145 1.00 0.00 C ATOM 1309 C ALA B 10 -0.458 17.062 -4.504 1.00 0.00 C ATOM 1310 O ALA B 10 -1.321 17.898 -4.248 1.00 0.00 O ATOM 1311 CB ALA B 10 -1.485 15.467 -2.872 1.00 0.00 C ATOM 0 H ALA B 10 1.205 15.283 -3.252 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.203 15.121 -4.965 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -2.435 15.985 -3.000 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.671 14.414 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -0.939 15.912 -2.040 1.00 0.00 H new ATOM 1317 N GLY B 11 0.681 17.370 -5.116 1.00 0.00 N ATOM 1318 CA GLY B 11 0.958 18.738 -5.523 1.00 0.00 C ATOM 1319 C GLY B 11 1.331 19.631 -4.358 1.00 0.00 C ATOM 1320 O GLY B 11 1.069 20.835 -4.373 1.00 0.00 O ATOM 0 H GLY B 11 1.417 16.699 -5.338 1.00 0.00 H new ATOM 0 HA2 GLY B 11 1.770 18.739 -6.250 1.00 0.00 H new ATOM 0 HA3 GLY B 11 0.081 19.148 -6.024 1.00 0.00 H new ATOM 1324 N CYS B 12 1.935 19.039 -3.344 1.00 0.00 N ATOM 1325 CA CYS B 12 2.390 19.781 -2.181 1.00 0.00 C ATOM 1326 C CYS B 12 3.777 20.360 -2.454 1.00 0.00 C ATOM 1327 O CYS B 12 4.580 19.731 -3.145 1.00 0.00 O ATOM 1328 CB CYS B 12 2.446 18.848 -0.970 1.00 0.00 C ATOM 1329 SG CYS B 12 1.053 17.698 -0.862 1.00 0.00 S ATOM 0 H CYS B 12 2.123 18.037 -3.302 1.00 0.00 H new ATOM 0 HA CYS B 12 1.696 20.596 -1.975 1.00 0.00 H new ATOM 0 HB2 CYS B 12 3.374 18.277 -1.007 1.00 0.00 H new ATOM 0 HB3 CYS B 12 2.478 19.450 -0.062 1.00 0.00 H new ATOM 0 HG CYS B 12 1.189 16.949 0.192 1.00 0.00 H new ATOM 1335 N PRO B 13 4.081 21.556 -1.928 1.00 0.00 N ATOM 1336 CA PRO B 13 5.401 22.181 -2.099 1.00 0.00 C ATOM 1337 C PRO B 13 6.527 21.254 -1.650 1.00 0.00 C ATOM 1338 O PRO B 13 7.601 21.215 -2.253 1.00 0.00 O ATOM 1339 CB PRO B 13 5.332 23.416 -1.199 1.00 0.00 C ATOM 1340 CG PRO B 13 3.880 23.723 -1.081 1.00 0.00 C ATOM 1341 CD PRO B 13 3.168 22.401 -1.138 1.00 0.00 C ATOM 0 HA PRO B 13 5.615 22.416 -3.142 1.00 0.00 H new ATOM 0 HB2 PRO B 13 5.775 23.219 -0.223 1.00 0.00 H new ATOM 0 HB3 PRO B 13 5.879 24.253 -1.634 1.00 0.00 H new ATOM 0 HG2 PRO B 13 3.666 24.241 -0.146 1.00 0.00 H new ATOM 0 HG3 PRO B 13 3.553 24.377 -1.890 1.00 0.00 H new ATOM 0 HD2 PRO B 13 3.002 21.991 -0.142 1.00 0.00 H new ATOM 0 HD3 PRO B 13 2.191 22.491 -1.613 1.00 0.00 H new ATOM 1349 N VAL B 14 6.246 20.493 -0.598 1.00 0.00 N ATOM 1350 CA VAL B 14 7.189 19.530 -0.044 1.00 0.00 C ATOM 1351 C VAL B 14 7.652 18.521 -1.100 1.00 0.00 C ATOM 1352 O VAL B 14 8.845 18.239 -1.228 1.00 0.00 O ATOM 1353 CB VAL B 14 6.546 18.771 1.139 1.00 0.00 C ATOM 1354 CG1 VAL B 14 7.500 17.737 1.713 1.00 0.00 C ATOM 1355 CG2 VAL B 14 6.102 19.746 2.221 1.00 0.00 C ATOM 0 H VAL B 14 5.354 20.527 -0.104 1.00 0.00 H new ATOM 0 HA VAL B 14 8.058 20.088 0.303 1.00 0.00 H new ATOM 0 HB VAL B 14 5.669 18.245 0.762 1.00 0.00 H new ATOM 0 HG11 VAL B 14 7.019 17.220 2.543 1.00 0.00 H new ATOM 0 HG12 VAL B 14 7.763 17.016 0.939 1.00 0.00 H new ATOM 0 HG13 VAL B 14 8.403 18.233 2.069 1.00 0.00 H new ATOM 0 HG21 VAL B 14 5.652 19.194 3.046 1.00 0.00 H new ATOM 0 HG22 VAL B 14 6.965 20.303 2.586 1.00 0.00 H new ATOM 0 HG23 VAL B 14 5.371 20.440 1.807 1.00 0.00 H new ATOM 1365 N CYS B 15 6.708 18.000 -1.873 1.00 0.00 N ATOM 1366 CA CYS B 15 7.016 16.967 -2.850 1.00 0.00 C ATOM 1367 C CYS B 15 7.451 17.558 -4.187 1.00 0.00 C ATOM 1368 O CYS B 15 7.910 16.832 -5.062 1.00 0.00 O ATOM 1369 CB CYS B 15 5.815 16.044 -3.042 1.00 0.00 C ATOM 1370 SG CYS B 15 4.249 16.911 -3.289 1.00 0.00 S ATOM 0 H CYS B 15 5.726 18.275 -1.842 1.00 0.00 H new ATOM 0 HA CYS B 15 7.854 16.388 -2.461 1.00 0.00 H new ATOM 0 HB2 CYS B 15 6.000 15.399 -3.901 1.00 0.00 H new ATOM 0 HB3 CYS B 15 5.725 15.396 -2.170 1.00 0.00 H new ATOM 0 HG CYS B 15 4.479 18.175 -3.488 1.00 0.00 H new ATOM 1376 N VAL B 16 7.315 18.873 -4.343 1.00 0.00 N ATOM 1377 CA VAL B 16 7.763 19.535 -5.564 1.00 0.00 C ATOM 1378 C VAL B 16 9.277 19.414 -5.694 1.00 0.00 C ATOM 1379 O VAL B 16 9.791 18.973 -6.722 1.00 0.00 O ATOM 1380 CB VAL B 16 7.355 21.027 -5.605 1.00 0.00 C ATOM 1381 CG1 VAL B 16 7.962 21.722 -6.816 1.00 0.00 C ATOM 1382 CG2 VAL B 16 5.841 21.166 -5.625 1.00 0.00 C ATOM 0 H VAL B 16 6.903 19.495 -3.647 1.00 0.00 H new ATOM 0 HA VAL B 16 7.275 19.037 -6.402 1.00 0.00 H new ATOM 0 HB VAL B 16 7.739 21.506 -4.704 1.00 0.00 H new ATOM 0 HG11 VAL B 16 7.661 22.770 -6.823 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.049 21.657 -6.766 1.00 0.00 H new ATOM 0 HG13 VAL B 16 7.611 21.238 -7.727 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.573 22.222 -5.654 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.441 20.666 -6.507 1.00 0.00 H new ATOM 0 HG23 VAL B 16 5.422 20.710 -4.728 1.00 0.00 H new ATOM 1392 N SER B 17 9.985 19.786 -4.635 1.00 0.00 N ATOM 1393 CA SER B 17 11.433 19.655 -4.604 1.00 0.00 C ATOM 1394 C SER B 17 11.835 18.181 -4.676 1.00 0.00 C ATOM 1395 O SER B 17 12.843 17.832 -5.289 1.00 0.00 O ATOM 1396 CB SER B 17 11.989 20.298 -3.332 1.00 0.00 C ATOM 1397 OG SER B 17 11.572 21.652 -3.227 1.00 0.00 O ATOM 0 H SER B 17 9.578 20.181 -3.787 1.00 0.00 H new ATOM 0 HA SER B 17 11.852 20.169 -5.469 1.00 0.00 H new ATOM 0 HB2 SER B 17 11.650 19.740 -2.459 1.00 0.00 H new ATOM 0 HB3 SER B 17 13.078 20.248 -3.340 1.00 0.00 H new ATOM 0 HG SER B 17 11.937 22.044 -2.406 1.00 0.00 H new ATOM 1403 N ALA B 18 11.026 17.322 -4.061 1.00 0.00 N ATOM 1404 CA ALA B 18 11.278 15.887 -4.074 1.00 0.00 C ATOM 1405 C ALA B 18 11.206 15.341 -5.496 1.00 0.00 C ATOM 1406 O ALA B 18 12.124 14.666 -5.956 1.00 0.00 O ATOM 1407 CB ALA B 18 10.288 15.164 -3.171 1.00 0.00 C ATOM 0 H ALA B 18 10.189 17.597 -3.547 1.00 0.00 H new ATOM 0 HA ALA B 18 12.284 15.711 -3.692 1.00 0.00 H new ATOM 0 HB1 ALA B 18 10.491 14.093 -3.193 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.391 15.532 -2.150 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.273 15.348 -3.523 1.00 0.00 H new ATOM 1413 N GLU B 19 10.119 15.653 -6.189 1.00 0.00 N ATOM 1414 CA GLU B 19 9.945 15.245 -7.576 1.00 0.00 C ATOM 1415 C GLU B 19 11.067 15.804 -8.442 1.00 0.00 C ATOM 1416 O GLU B 19 11.743 15.066 -9.153 1.00 0.00 O ATOM 1417 CB GLU B 19 8.595 15.736 -8.106 1.00 0.00 C ATOM 1418 CG GLU B 19 8.355 15.412 -9.573 1.00 0.00 C ATOM 1419 CD GLU B 19 7.137 16.120 -10.133 1.00 0.00 C ATOM 1420 OE1 GLU B 19 6.017 15.577 -10.026 1.00 0.00 O ATOM 1421 OE2 GLU B 19 7.297 17.226 -10.694 1.00 0.00 O ATOM 0 H GLU B 19 9.340 16.191 -5.810 1.00 0.00 H new ATOM 0 HA GLU B 19 9.974 14.156 -7.619 1.00 0.00 H new ATOM 0 HB2 GLU B 19 7.798 15.291 -7.510 1.00 0.00 H new ATOM 0 HB3 GLU B 19 8.532 16.815 -7.967 1.00 0.00 H new ATOM 0 HG2 GLU B 19 9.234 15.695 -10.153 1.00 0.00 H new ATOM 0 HG3 GLU B 19 8.230 14.335 -9.688 1.00 0.00 H new ATOM 1428 N GLN B 20 11.272 17.110 -8.346 1.00 0.00 N ATOM 1429 CA GLN B 20 12.228 17.807 -9.194 1.00 0.00 C ATOM 1430 C GLN B 20 13.643 17.244 -9.049 1.00 0.00 C ATOM 1431 O GLN B 20 14.357 17.086 -10.035 1.00 0.00 O ATOM 1432 CB GLN B 20 12.231 19.301 -8.868 1.00 0.00 C ATOM 1433 CG GLN B 20 13.107 20.118 -9.799 1.00 0.00 C ATOM 1434 CD GLN B 20 12.619 20.080 -11.233 1.00 0.00 C ATOM 1435 OE1 GLN B 20 11.417 20.007 -11.497 1.00 0.00 O ATOM 1436 NE2 GLN B 20 13.551 20.107 -12.169 1.00 0.00 N ATOM 0 H GLN B 20 10.784 17.712 -7.683 1.00 0.00 H new ATOM 0 HA GLN B 20 11.915 17.656 -10.227 1.00 0.00 H new ATOM 0 HB2 GLN B 20 11.210 19.678 -8.918 1.00 0.00 H new ATOM 0 HB3 GLN B 20 12.573 19.441 -7.843 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.134 21.152 -9.454 1.00 0.00 H new ATOM 0 HG3 GLN B 20 14.129 19.741 -9.756 1.00 0.00 H new ATOM 0 HE21 GLN B 20 14.535 20.168 -11.907 1.00 0.00 H new ATOM 0 HE22 GLN B 20 13.287 20.067 -13.153 1.00 0.00 H new ATOM 1445 N ALA B 21 14.047 16.938 -7.825 1.00 0.00 N ATOM 1446 CA ALA B 21 15.416 16.505 -7.579 1.00 0.00 C ATOM 1447 C ALA B 21 15.570 14.990 -7.678 1.00 0.00 C ATOM 1448 O ALA B 21 16.429 14.496 -8.407 1.00 0.00 O ATOM 1449 CB ALA B 21 15.891 16.996 -6.223 1.00 0.00 C ATOM 0 H ALA B 21 13.455 16.980 -6.995 1.00 0.00 H new ATOM 0 HA ALA B 21 16.038 16.945 -8.359 1.00 0.00 H new ATOM 0 HB1 ALA B 21 16.915 16.664 -6.054 1.00 0.00 H new ATOM 0 HB2 ALA B 21 15.853 18.085 -6.197 1.00 0.00 H new ATOM 0 HB3 ALA B 21 15.246 16.592 -5.443 1.00 0.00 H new ATOM 1455 N VAL B 22 14.729 14.253 -6.964 1.00 0.00 N ATOM 1456 CA VAL B 22 14.892 12.807 -6.856 1.00 0.00 C ATOM 1457 C VAL B 22 14.545 12.102 -8.166 1.00 0.00 C ATOM 1458 O VAL B 22 15.229 11.161 -8.567 1.00 0.00 O ATOM 1459 CB VAL B 22 14.045 12.216 -5.706 1.00 0.00 C ATOM 1460 CG1 VAL B 22 14.337 10.733 -5.526 1.00 0.00 C ATOM 1461 CG2 VAL B 22 14.305 12.972 -4.408 1.00 0.00 C ATOM 0 H VAL B 22 13.930 14.629 -6.453 1.00 0.00 H new ATOM 0 HA VAL B 22 15.945 12.632 -6.633 1.00 0.00 H new ATOM 0 HB VAL B 22 12.993 12.327 -5.967 1.00 0.00 H new ATOM 0 HG11 VAL B 22 13.730 10.339 -4.711 1.00 0.00 H new ATOM 0 HG12 VAL B 22 14.098 10.201 -6.447 1.00 0.00 H new ATOM 0 HG13 VAL B 22 15.392 10.596 -5.291 1.00 0.00 H new ATOM 0 HG21 VAL B 22 13.700 12.542 -3.609 1.00 0.00 H new ATOM 0 HG22 VAL B 22 15.360 12.894 -4.146 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.041 14.021 -4.539 1.00 0.00 H new ATOM 1471 N ALA B 23 13.508 12.574 -8.851 1.00 0.00 N ATOM 1472 CA ALA B 23 13.085 11.949 -10.103 1.00 0.00 C ATOM 1473 C ALA B 23 14.031 12.306 -11.245 1.00 0.00 C ATOM 1474 O ALA B 23 13.973 11.717 -12.322 1.00 0.00 O ATOM 1475 CB ALA B 23 11.659 12.346 -10.449 1.00 0.00 C ATOM 0 H ALA B 23 12.949 13.378 -8.566 1.00 0.00 H new ATOM 0 HA ALA B 23 13.118 10.869 -9.963 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.365 11.869 -11.384 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.988 12.025 -9.652 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.599 13.429 -10.559 1.00 0.00 H new ATOM 1481 N ASN B 24 14.891 13.288 -11.010 1.00 0.00 N ATOM 1482 CA ASN B 24 15.918 13.647 -11.982 1.00 0.00 C ATOM 1483 C ASN B 24 17.233 12.977 -11.614 1.00 0.00 C ATOM 1484 O ASN B 24 18.098 12.756 -12.461 1.00 0.00 O ATOM 1485 CB ASN B 24 16.094 15.167 -12.070 1.00 0.00 C ATOM 1486 CG ASN B 24 14.931 15.851 -12.771 1.00 0.00 C ATOM 1487 OD1 ASN B 24 13.793 15.384 -12.718 1.00 0.00 O ATOM 1488 ND2 ASN B 24 15.204 16.966 -13.431 1.00 0.00 N ATOM 0 H ASN B 24 14.899 13.849 -10.158 1.00 0.00 H new ATOM 0 HA ASN B 24 15.600 13.295 -12.963 1.00 0.00 H new ATOM 0 HB2 ASN B 24 16.199 15.576 -11.065 1.00 0.00 H new ATOM 0 HB3 ASN B 24 17.018 15.392 -12.603 1.00 0.00 H new ATOM 0 HD21 ASN B 24 14.460 17.467 -13.916 1.00 0.00 H new ATOM 0 HD22 ASN B 24 16.159 17.324 -13.454 1.00 0.00 H new ATOM 1495 N ALA B 25 17.378 12.655 -10.335 1.00 0.00 N ATOM 1496 CA ALA B 25 18.519 11.888 -9.867 1.00 0.00 C ATOM 1497 C ALA B 25 18.387 10.442 -10.320 1.00 0.00 C ATOM 1498 O ALA B 25 19.334 9.851 -10.840 1.00 0.00 O ATOM 1499 CB ALA B 25 18.635 11.971 -8.351 1.00 0.00 C ATOM 0 H ALA B 25 16.716 12.915 -9.604 1.00 0.00 H new ATOM 0 HA ALA B 25 19.429 12.308 -10.296 1.00 0.00 H new ATOM 0 HB1 ALA B 25 19.496 11.390 -8.020 1.00 0.00 H new ATOM 0 HB2 ALA B 25 18.763 13.011 -8.052 1.00 0.00 H new ATOM 0 HB3 ALA B 25 17.730 11.571 -7.894 1.00 0.00 H new ATOM 1505 N ILE B 26 17.199 9.885 -10.138 1.00 0.00 N ATOM 1506 CA ILE B 26 16.903 8.536 -10.593 1.00 0.00 C ATOM 1507 C ILE B 26 16.383 8.581 -12.024 1.00 0.00 C ATOM 1508 O ILE B 26 15.304 9.111 -12.284 1.00 0.00 O ATOM 1509 CB ILE B 26 15.854 7.851 -9.690 1.00 0.00 C ATOM 1510 CG1 ILE B 26 16.291 7.911 -8.223 1.00 0.00 C ATOM 1511 CG2 ILE B 26 15.646 6.406 -10.122 1.00 0.00 C ATOM 1512 CD1 ILE B 26 15.259 7.368 -7.256 1.00 0.00 C ATOM 0 H ILE B 26 16.419 10.351 -9.675 1.00 0.00 H new ATOM 0 HA ILE B 26 17.825 7.956 -10.546 1.00 0.00 H new ATOM 0 HB ILE B 26 14.908 8.384 -9.792 1.00 0.00 H new ATOM 0 HG12 ILE B 26 17.217 7.348 -8.106 1.00 0.00 H new ATOM 0 HG13 ILE B 26 16.512 8.946 -7.961 1.00 0.00 H new ATOM 0 HG21 ILE B 26 14.904 5.936 -9.476 1.00 0.00 H new ATOM 0 HG22 ILE B 26 15.296 6.382 -11.154 1.00 0.00 H new ATOM 0 HG23 ILE B 26 16.589 5.864 -10.045 1.00 0.00 H new ATOM 0 HD11 ILE B 26 15.640 7.444 -6.237 1.00 0.00 H new ATOM 0 HD12 ILE B 26 14.339 7.946 -7.343 1.00 0.00 H new ATOM 0 HD13 ILE B 26 15.055 6.323 -7.490 1.00 0.00 H new ATOM 1524 N ASP B 27 17.159 8.044 -12.950 1.00 0.00 N ATOM 1525 CA ASP B 27 16.792 8.070 -14.359 1.00 0.00 C ATOM 1526 C ASP B 27 16.048 6.803 -14.754 1.00 0.00 C ATOM 1527 O ASP B 27 16.256 5.743 -14.160 1.00 0.00 O ATOM 1528 CB ASP B 27 18.031 8.249 -15.236 1.00 0.00 C ATOM 1529 CG ASP B 27 19.095 7.209 -14.975 1.00 0.00 C ATOM 1530 OD1 ASP B 27 19.900 7.414 -14.041 1.00 0.00 O ATOM 1531 OD2 ASP B 27 19.137 6.202 -15.712 1.00 0.00 O ATOM 0 H ASP B 27 18.048 7.584 -12.753 1.00 0.00 H new ATOM 0 HA ASP B 27 16.127 8.920 -14.514 1.00 0.00 H new ATOM 0 HB2 ASP B 27 17.737 8.204 -16.285 1.00 0.00 H new ATOM 0 HB3 ASP B 27 18.450 9.240 -15.065 1.00 0.00 H new ATOM 1536 N PRO B 28 15.173 6.905 -15.772 1.00 0.00 N ATOM 1537 CA PRO B 28 14.332 5.791 -16.237 1.00 0.00 C ATOM 1538 C PRO B 28 15.135 4.582 -16.720 1.00 0.00 C ATOM 1539 O PRO B 28 14.616 3.465 -16.772 1.00 0.00 O ATOM 1540 CB PRO B 28 13.532 6.394 -17.396 1.00 0.00 C ATOM 1541 CG PRO B 28 13.585 7.865 -17.176 1.00 0.00 C ATOM 1542 CD PRO B 28 14.919 8.133 -16.546 1.00 0.00 C ATOM 0 HA PRO B 28 13.716 5.404 -15.425 1.00 0.00 H new ATOM 0 HB2 PRO B 28 13.966 6.123 -18.358 1.00 0.00 H new ATOM 0 HB3 PRO B 28 12.504 6.032 -17.397 1.00 0.00 H new ATOM 0 HG2 PRO B 28 13.481 8.406 -18.117 1.00 0.00 H new ATOM 0 HG3 PRO B 28 12.773 8.193 -16.528 1.00 0.00 H new ATOM 0 HD2 PRO B 28 15.692 8.305 -17.295 1.00 0.00 H new ATOM 0 HD3 PRO B 28 14.893 9.015 -15.906 1.00 0.00 H new ATOM 1550 N SER B 29 16.396 4.801 -17.074 1.00 0.00 N ATOM 1551 CA SER B 29 17.254 3.712 -17.511 1.00 0.00 C ATOM 1552 C SER B 29 17.686 2.869 -16.316 1.00 0.00 C ATOM 1553 O SER B 29 17.651 1.638 -16.368 1.00 0.00 O ATOM 1554 CB SER B 29 18.478 4.258 -18.245 1.00 0.00 C ATOM 1555 OG SER B 29 18.089 5.056 -19.353 1.00 0.00 O ATOM 0 H SER B 29 16.843 5.718 -17.066 1.00 0.00 H new ATOM 0 HA SER B 29 16.691 3.081 -18.199 1.00 0.00 H new ATOM 0 HB2 SER B 29 19.084 4.851 -17.560 1.00 0.00 H new ATOM 0 HB3 SER B 29 19.101 3.431 -18.588 1.00 0.00 H new ATOM 0 HG SER B 29 18.888 5.397 -19.807 1.00 0.00 H new ATOM 1561 N LYS B 30 18.079 3.539 -15.239 1.00 0.00 N ATOM 1562 CA LYS B 30 18.478 2.858 -14.018 1.00 0.00 C ATOM 1563 C LYS B 30 17.257 2.246 -13.333 1.00 0.00 C ATOM 1564 O LYS B 30 17.289 1.096 -12.895 1.00 0.00 O ATOM 1565 CB LYS B 30 19.192 3.835 -13.077 1.00 0.00 C ATOM 1566 CG LYS B 30 19.878 3.165 -11.896 1.00 0.00 C ATOM 1567 CD LYS B 30 20.567 4.186 -10.999 1.00 0.00 C ATOM 1568 CE LYS B 30 21.287 3.522 -9.836 1.00 0.00 C ATOM 1569 NZ LYS B 30 22.437 2.694 -10.289 1.00 0.00 N ATOM 0 H LYS B 30 18.129 4.557 -15.189 1.00 0.00 H new ATOM 0 HA LYS B 30 19.170 2.055 -14.271 1.00 0.00 H new ATOM 0 HB2 LYS B 30 19.934 4.395 -13.646 1.00 0.00 H new ATOM 0 HB3 LYS B 30 18.467 4.557 -12.701 1.00 0.00 H new ATOM 0 HG2 LYS B 30 19.143 2.606 -11.316 1.00 0.00 H new ATOM 0 HG3 LYS B 30 20.611 2.445 -12.260 1.00 0.00 H new ATOM 0 HD2 LYS B 30 21.281 4.763 -11.587 1.00 0.00 H new ATOM 0 HD3 LYS B 30 19.828 4.890 -10.615 1.00 0.00 H new ATOM 0 HE2 LYS B 30 21.642 4.287 -9.145 1.00 0.00 H new ATOM 0 HE3 LYS B 30 20.585 2.896 -9.285 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 22.919 2.288 -9.462 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 22.093 1.927 -10.901 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 23.104 3.288 -10.821 1.00 0.00 H new ATOM 1583 N TYR B 31 16.181 3.024 -13.249 1.00 0.00 N ATOM 1584 CA TYR B 31 14.915 2.553 -12.693 1.00 0.00 C ATOM 1585 C TYR B 31 13.754 3.176 -13.455 1.00 0.00 C ATOM 1586 O TYR B 31 13.765 4.370 -13.735 1.00 0.00 O ATOM 1587 CB TYR B 31 14.793 2.901 -11.204 1.00 0.00 C ATOM 1588 CG TYR B 31 15.716 2.107 -10.306 1.00 0.00 C ATOM 1589 CD1 TYR B 31 15.443 0.780 -10.002 1.00 0.00 C ATOM 1590 CD2 TYR B 31 16.857 2.685 -9.764 1.00 0.00 C ATOM 1591 CE1 TYR B 31 16.283 0.049 -9.183 1.00 0.00 C ATOM 1592 CE2 TYR B 31 17.701 1.962 -8.945 1.00 0.00 C ATOM 1593 CZ TYR B 31 17.409 0.646 -8.657 1.00 0.00 C ATOM 1594 OH TYR B 31 18.246 -0.076 -7.839 1.00 0.00 O ATOM 0 H TYR B 31 16.161 3.994 -13.563 1.00 0.00 H new ATOM 0 HA TYR B 31 14.887 1.468 -12.794 1.00 0.00 H new ATOM 0 HB2 TYR B 31 15.000 3.963 -11.072 1.00 0.00 H new ATOM 0 HB3 TYR B 31 13.764 2.735 -10.886 1.00 0.00 H new ATOM 0 HD1 TYR B 31 14.560 0.312 -10.412 1.00 0.00 H new ATOM 0 HD2 TYR B 31 17.087 3.716 -9.987 1.00 0.00 H new ATOM 0 HE1 TYR B 31 16.059 -0.983 -8.957 1.00 0.00 H new ATOM 0 HE2 TYR B 31 18.585 2.425 -8.532 1.00 0.00 H new ATOM 0 HH TYR B 31 18.993 0.490 -7.554 1.00 0.00 H new ATOM 1604 N THR B 32 12.751 2.375 -13.788 1.00 0.00 N ATOM 1605 CA THR B 32 11.612 2.875 -14.539 1.00 0.00 C ATOM 1606 C THR B 32 10.698 3.705 -13.637 1.00 0.00 C ATOM 1607 O THR B 32 9.863 3.167 -12.905 1.00 0.00 O ATOM 1608 CB THR B 32 10.829 1.716 -15.183 1.00 0.00 C ATOM 1609 OG1 THR B 32 11.731 0.904 -15.951 1.00 0.00 O ATOM 1610 CG2 THR B 32 9.719 2.237 -16.084 1.00 0.00 C ATOM 0 H THR B 32 12.704 1.384 -13.551 1.00 0.00 H new ATOM 0 HA THR B 32 11.986 3.517 -15.337 1.00 0.00 H new ATOM 0 HB THR B 32 10.373 1.123 -14.390 1.00 0.00 H new ATOM 0 HG1 THR B 32 11.236 0.164 -16.361 1.00 0.00 H new ATOM 0 HG21 THR B 32 9.183 1.396 -16.525 1.00 0.00 H new ATOM 0 HG22 THR B 32 9.027 2.840 -15.497 1.00 0.00 H new ATOM 0 HG23 THR B 32 10.151 2.848 -16.877 1.00 0.00 H new ATOM 1618 N VAL B 33 10.887 5.019 -13.681 1.00 0.00 N ATOM 1619 CA VAL B 33 10.166 5.940 -12.813 1.00 0.00 C ATOM 1620 C VAL B 33 8.844 6.376 -13.443 1.00 0.00 C ATOM 1621 O VAL B 33 8.732 6.494 -14.665 1.00 0.00 O ATOM 1622 CB VAL B 33 11.022 7.192 -12.501 1.00 0.00 C ATOM 1623 CG1 VAL B 33 10.337 8.097 -11.486 1.00 0.00 C ATOM 1624 CG2 VAL B 33 12.402 6.788 -12.002 1.00 0.00 C ATOM 0 H VAL B 33 11.542 5.474 -14.317 1.00 0.00 H new ATOM 0 HA VAL B 33 9.956 5.409 -11.885 1.00 0.00 H new ATOM 0 HB VAL B 33 11.134 7.753 -13.429 1.00 0.00 H new ATOM 0 HG11 VAL B 33 10.966 8.966 -11.290 1.00 0.00 H new ATOM 0 HG12 VAL B 33 9.376 8.426 -11.882 1.00 0.00 H new ATOM 0 HG13 VAL B 33 10.178 7.548 -10.558 1.00 0.00 H new ATOM 0 HG21 VAL B 33 12.988 7.682 -11.788 1.00 0.00 H new ATOM 0 HG22 VAL B 33 12.301 6.195 -11.093 1.00 0.00 H new ATOM 0 HG23 VAL B 33 12.907 6.197 -12.767 1.00 0.00 H new ATOM 1634 N GLU B 34 7.846 6.593 -12.599 1.00 0.00 N ATOM 1635 CA GLU B 34 6.544 7.071 -13.030 1.00 0.00 C ATOM 1636 C GLU B 34 5.959 7.994 -11.965 1.00 0.00 C ATOM 1637 O GLU B 34 5.957 7.656 -10.781 1.00 0.00 O ATOM 1638 CB GLU B 34 5.617 5.881 -13.284 1.00 0.00 C ATOM 1639 CG GLU B 34 4.229 6.265 -13.760 1.00 0.00 C ATOM 1640 CD GLU B 34 3.395 5.058 -14.122 1.00 0.00 C ATOM 1641 OE1 GLU B 34 2.915 4.359 -13.204 1.00 0.00 O ATOM 1642 OE2 GLU B 34 3.215 4.796 -15.330 1.00 0.00 O ATOM 0 H GLU B 34 7.918 6.441 -11.593 1.00 0.00 H new ATOM 0 HA GLU B 34 6.648 7.633 -13.958 1.00 0.00 H new ATOM 0 HB2 GLU B 34 6.076 5.229 -14.027 1.00 0.00 H new ATOM 0 HB3 GLU B 34 5.527 5.302 -12.365 1.00 0.00 H new ATOM 0 HG2 GLU B 34 3.723 6.833 -12.979 1.00 0.00 H new ATOM 0 HG3 GLU B 34 4.313 6.920 -14.627 1.00 0.00 H new ATOM 1649 N ILE B 35 5.489 9.163 -12.378 1.00 0.00 N ATOM 1650 CA ILE B 35 4.943 10.142 -11.443 1.00 0.00 C ATOM 1651 C ILE B 35 3.417 10.100 -11.443 1.00 0.00 C ATOM 1652 O ILE B 35 2.783 10.293 -12.480 1.00 0.00 O ATOM 1653 CB ILE B 35 5.397 11.577 -11.797 1.00 0.00 C ATOM 1654 CG1 ILE B 35 6.926 11.659 -11.910 1.00 0.00 C ATOM 1655 CG2 ILE B 35 4.886 12.567 -10.760 1.00 0.00 C ATOM 1656 CD1 ILE B 35 7.660 11.343 -10.623 1.00 0.00 C ATOM 0 H ILE B 35 5.474 9.458 -13.354 1.00 0.00 H new ATOM 0 HA ILE B 35 5.320 9.881 -10.454 1.00 0.00 H new ATOM 0 HB ILE B 35 4.972 11.837 -12.767 1.00 0.00 H new ATOM 0 HG12 ILE B 35 7.260 10.969 -12.685 1.00 0.00 H new ATOM 0 HG13 ILE B 35 7.202 12.662 -12.236 1.00 0.00 H new ATOM 0 HG21 ILE B 35 5.214 13.572 -11.024 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.797 12.536 -10.733 1.00 0.00 H new ATOM 0 HG23 ILE B 35 5.280 12.302 -9.779 1.00 0.00 H new ATOM 0 HD11 ILE B 35 8.734 11.423 -10.788 1.00 0.00 H new ATOM 0 HD12 ILE B 35 7.358 12.049 -9.849 1.00 0.00 H new ATOM 0 HD13 ILE B 35 7.416 10.329 -10.305 1.00 0.00 H new ATOM 1668 N VAL B 36 2.828 9.849 -10.281 1.00 0.00 N ATOM 1669 CA VAL B 36 1.379 9.800 -10.159 1.00 0.00 C ATOM 1670 C VAL B 36 0.887 10.852 -9.166 1.00 0.00 C ATOM 1671 O VAL B 36 1.381 10.944 -8.040 1.00 0.00 O ATOM 1672 CB VAL B 36 0.892 8.404 -9.715 1.00 0.00 C ATOM 1673 CG1 VAL B 36 -0.629 8.328 -9.742 1.00 0.00 C ATOM 1674 CG2 VAL B 36 1.502 7.315 -10.588 1.00 0.00 C ATOM 0 H VAL B 36 3.332 9.676 -9.411 1.00 0.00 H new ATOM 0 HA VAL B 36 0.965 10.010 -11.145 1.00 0.00 H new ATOM 0 HB VAL B 36 1.222 8.241 -8.689 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.949 7.335 -9.425 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -1.043 9.076 -9.065 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.985 8.518 -10.755 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.145 6.340 -10.256 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.210 7.475 -11.626 1.00 0.00 H new ATOM 0 HG23 VAL B 36 2.588 7.350 -10.507 1.00 0.00 H new ATOM 1684 N HIS B 37 -0.082 11.647 -9.597 1.00 0.00 N ATOM 1685 CA HIS B 37 -0.639 12.706 -8.768 1.00 0.00 C ATOM 1686 C HIS B 37 -1.917 12.226 -8.079 1.00 0.00 C ATOM 1687 O HIS B 37 -2.904 11.895 -8.736 1.00 0.00 O ATOM 1688 CB HIS B 37 -0.918 13.943 -9.631 1.00 0.00 C ATOM 1689 CG HIS B 37 -1.380 15.147 -8.866 1.00 0.00 C ATOM 1690 ND1 HIS B 37 -2.654 15.639 -9.009 1.00 0.00 N ATOM 1691 CD2 HIS B 37 -0.696 15.940 -8.006 1.00 0.00 C ATOM 1692 CE1 HIS B 37 -2.719 16.713 -8.244 1.00 0.00 C ATOM 1693 NE2 HIS B 37 -1.559 16.935 -7.616 1.00 0.00 N ATOM 0 H HIS B 37 -0.502 11.577 -10.524 1.00 0.00 H new ATOM 0 HA HIS B 37 0.081 12.973 -7.995 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.010 14.202 -10.176 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.674 13.689 -10.374 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.329 15.814 -7.689 1.00 0.00 H new ATOM 0 HE1 HIS B 37 -3.597 17.333 -8.139 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -1.354 17.698 -6.971 1.00 0.00 H new ATOM 1701 N LEU B 38 -1.887 12.186 -6.755 1.00 0.00 N ATOM 1702 CA LEU B 38 -3.027 11.723 -5.969 1.00 0.00 C ATOM 1703 C LEU B 38 -3.872 12.896 -5.491 1.00 0.00 C ATOM 1704 O LEU B 38 -4.784 12.728 -4.684 1.00 0.00 O ATOM 1705 CB LEU B 38 -2.555 10.913 -4.759 1.00 0.00 C ATOM 1706 CG LEU B 38 -1.847 9.595 -5.079 1.00 0.00 C ATOM 1707 CD1 LEU B 38 -1.382 8.921 -3.797 1.00 0.00 C ATOM 1708 CD2 LEU B 38 -2.767 8.671 -5.866 1.00 0.00 C ATOM 0 H LEU B 38 -1.082 12.470 -6.197 1.00 0.00 H new ATOM 0 HA LEU B 38 -3.635 11.088 -6.613 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -1.879 11.534 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -3.419 10.697 -4.130 1.00 0.00 H new ATOM 0 HG LEU B 38 -0.973 9.811 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -0.880 7.984 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -0.690 9.578 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -2.243 8.717 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.246 7.739 -6.084 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.660 8.459 -5.277 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -3.055 9.153 -6.800 1.00 0.00 H new ATOM 1720 N GLY B 39 -3.582 14.079 -6.007 1.00 0.00 N ATOM 1721 CA GLY B 39 -4.282 15.268 -5.562 1.00 0.00 C ATOM 1722 C GLY B 39 -5.534 15.541 -6.371 1.00 0.00 C ATOM 1723 O GLY B 39 -6.020 16.671 -6.415 1.00 0.00 O ATOM 0 H GLY B 39 -2.876 14.239 -6.725 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -4.549 15.156 -4.511 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -3.614 16.126 -5.632 1.00 0.00 H new ATOM 1727 N THR B 40 -6.055 14.513 -7.023 1.00 0.00 N ATOM 1728 CA THR B 40 -7.266 14.653 -7.813 1.00 0.00 C ATOM 1729 C THR B 40 -8.074 13.359 -7.795 1.00 0.00 C ATOM 1730 O THR B 40 -9.119 13.279 -7.142 1.00 0.00 O ATOM 1731 CB THR B 40 -6.946 15.044 -9.271 1.00 0.00 C ATOM 1732 OG1 THR B 40 -6.067 16.180 -9.295 1.00 0.00 O ATOM 1733 CG2 THR B 40 -8.222 15.378 -10.032 1.00 0.00 C ATOM 0 H THR B 40 -5.658 13.574 -7.020 1.00 0.00 H new ATOM 0 HA THR B 40 -7.857 15.451 -7.363 1.00 0.00 H new ATOM 0 HB THR B 40 -6.460 14.195 -9.752 1.00 0.00 H new ATOM 0 HG1 THR B 40 -5.139 15.878 -9.204 1.00 0.00 H new ATOM 0 HG21 THR B 40 -7.973 15.651 -11.058 1.00 0.00 H new ATOM 0 HG22 THR B 40 -8.880 14.509 -10.037 1.00 0.00 H new ATOM 0 HG23 THR B 40 -8.727 16.213 -9.547 1.00 0.00 H new ATOM 1741 N ASP B 41 -7.568 12.340 -8.489 1.00 0.00 N ATOM 1742 CA ASP B 41 -8.267 11.064 -8.590 1.00 0.00 C ATOM 1743 C ASP B 41 -8.169 10.298 -7.281 1.00 0.00 C ATOM 1744 O ASP B 41 -7.082 9.932 -6.837 1.00 0.00 O ATOM 1745 CB ASP B 41 -7.705 10.221 -9.732 1.00 0.00 C ATOM 1746 CG ASP B 41 -8.478 8.932 -9.921 1.00 0.00 C ATOM 1747 OD1 ASP B 41 -9.535 8.961 -10.593 1.00 0.00 O ATOM 1748 OD2 ASP B 41 -8.041 7.887 -9.400 1.00 0.00 O ATOM 0 H ASP B 41 -6.679 12.375 -8.988 1.00 0.00 H new ATOM 0 HA ASP B 41 -9.316 11.273 -8.800 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -7.732 10.799 -10.656 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -6.659 9.990 -9.531 1.00 0.00 H new ATOM 1753 N LYS B 42 -9.319 10.075 -6.667 1.00 0.00 N ATOM 1754 CA LYS B 42 -9.384 9.421 -5.373 1.00 0.00 C ATOM 1755 C LYS B 42 -9.498 7.908 -5.526 1.00 0.00 C ATOM 1756 O LYS B 42 -9.296 7.162 -4.566 1.00 0.00 O ATOM 1757 CB LYS B 42 -10.553 9.989 -4.570 1.00 0.00 C ATOM 1758 CG LYS B 42 -10.348 11.454 -4.225 1.00 0.00 C ATOM 1759 CD LYS B 42 -11.602 12.108 -3.672 1.00 0.00 C ATOM 1760 CE LYS B 42 -11.328 13.548 -3.269 1.00 0.00 C ATOM 1761 NZ LYS B 42 -10.743 14.339 -4.387 1.00 0.00 N ATOM 0 H LYS B 42 -10.227 10.340 -7.049 1.00 0.00 H new ATOM 0 HA LYS B 42 -8.459 9.618 -4.831 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -11.474 9.877 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -10.676 9.414 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -9.545 11.542 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -10.026 11.991 -5.117 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -12.393 12.080 -4.422 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -11.960 11.546 -2.809 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -12.256 14.016 -2.941 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -10.646 13.563 -2.419 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -10.775 15.351 -4.150 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -9.755 14.050 -4.537 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -11.289 14.169 -5.256 1.00 0.00 H new ATOM 1775 N ALA B 43 -9.810 7.460 -6.735 1.00 0.00 N ATOM 1776 CA ALA B 43 -9.890 6.035 -7.021 1.00 0.00 C ATOM 1777 C ALA B 43 -8.514 5.394 -6.893 1.00 0.00 C ATOM 1778 O ALA B 43 -8.355 4.360 -6.244 1.00 0.00 O ATOM 1779 CB ALA B 43 -10.463 5.803 -8.413 1.00 0.00 C ATOM 0 H ALA B 43 -10.012 8.063 -7.533 1.00 0.00 H new ATOM 0 HA ALA B 43 -10.557 5.570 -6.295 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -10.516 4.732 -8.611 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -11.463 6.233 -8.471 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -9.821 6.278 -9.155 1.00 0.00 H new ATOM 1785 N ARG B 44 -7.519 6.031 -7.503 1.00 0.00 N ATOM 1786 CA ARG B 44 -6.142 5.558 -7.434 1.00 0.00 C ATOM 1787 C ARG B 44 -5.634 5.576 -5.993 1.00 0.00 C ATOM 1788 O ARG B 44 -4.783 4.775 -5.623 1.00 0.00 O ATOM 1789 CB ARG B 44 -5.239 6.427 -8.315 1.00 0.00 C ATOM 1790 CG ARG B 44 -3.794 5.949 -8.386 1.00 0.00 C ATOM 1791 CD ARG B 44 -3.507 5.143 -9.650 1.00 0.00 C ATOM 1792 NE ARG B 44 -4.211 3.857 -9.697 1.00 0.00 N ATOM 1793 CZ ARG B 44 -3.704 2.754 -10.261 1.00 0.00 C ATOM 1794 NH1 ARG B 44 -2.472 2.757 -10.756 1.00 0.00 N ATOM 1795 NH2 ARG B 44 -4.429 1.648 -10.320 1.00 0.00 N ATOM 0 H ARG B 44 -7.643 6.881 -8.053 1.00 0.00 H new ATOM 0 HA ARG B 44 -6.116 4.531 -7.798 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -5.651 6.455 -9.324 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -5.254 7.449 -7.936 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -3.127 6.811 -8.349 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -3.573 5.338 -7.511 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -3.790 5.735 -10.521 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -2.434 4.964 -9.721 1.00 0.00 H new ATOM 0 HE ARG B 44 -5.139 3.800 -9.276 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -1.905 3.604 -10.708 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -2.092 1.913 -11.184 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -5.374 1.636 -9.936 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -4.043 0.807 -10.750 1.00 0.00 H new ATOM 1809 N ILE B 45 -6.166 6.490 -5.184 1.00 0.00 N ATOM 1810 CA ILE B 45 -5.784 6.587 -3.775 1.00 0.00 C ATOM 1811 C ILE B 45 -6.153 5.307 -3.026 1.00 0.00 C ATOM 1812 O ILE B 45 -5.365 4.790 -2.235 1.00 0.00 O ATOM 1813 CB ILE B 45 -6.455 7.798 -3.086 1.00 0.00 C ATOM 1814 CG1 ILE B 45 -6.006 9.102 -3.751 1.00 0.00 C ATOM 1815 CG2 ILE B 45 -6.128 7.819 -1.596 1.00 0.00 C ATOM 1816 CD1 ILE B 45 -6.647 10.340 -3.160 1.00 0.00 C ATOM 0 H ILE B 45 -6.863 7.174 -5.479 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.703 6.726 -3.743 1.00 0.00 H new ATOM 0 HB ILE B 45 -7.535 7.704 -3.197 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -4.923 9.189 -3.665 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -6.239 9.056 -4.815 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -6.610 8.679 -1.130 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -6.492 6.903 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -5.049 7.891 -1.461 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -6.280 11.224 -3.682 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -7.730 10.277 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -6.393 10.412 -2.102 1.00 0.00 H new ATOM 1828 N ALA B 46 -7.340 4.785 -3.306 1.00 0.00 N ATOM 1829 CA ALA B 46 -7.802 3.556 -2.672 1.00 0.00 C ATOM 1830 C ALA B 46 -6.970 2.364 -3.127 1.00 0.00 C ATOM 1831 O ALA B 46 -6.810 1.381 -2.399 1.00 0.00 O ATOM 1832 CB ALA B 46 -9.276 3.331 -2.973 1.00 0.00 C ATOM 0 H ALA B 46 -8.001 5.193 -3.968 1.00 0.00 H new ATOM 0 HA ALA B 46 -7.679 3.657 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -9.609 2.410 -2.494 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -9.858 4.170 -2.590 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -9.419 3.252 -4.051 1.00 0.00 H new ATOM 1838 N GLU B 47 -6.439 2.458 -4.337 1.00 0.00 N ATOM 1839 CA GLU B 47 -5.564 1.428 -4.869 1.00 0.00 C ATOM 1840 C GLU B 47 -4.156 1.605 -4.308 1.00 0.00 C ATOM 1841 O GLU B 47 -3.415 0.638 -4.135 1.00 0.00 O ATOM 1842 CB GLU B 47 -5.540 1.485 -6.396 1.00 0.00 C ATOM 1843 CG GLU B 47 -6.924 1.436 -7.022 1.00 0.00 C ATOM 1844 CD GLU B 47 -6.877 1.404 -8.534 1.00 0.00 C ATOM 1845 OE1 GLU B 47 -6.755 2.479 -9.159 1.00 0.00 O ATOM 1846 OE2 GLU B 47 -6.936 0.296 -9.108 1.00 0.00 O ATOM 0 H GLU B 47 -6.601 3.241 -4.970 1.00 0.00 H new ATOM 0 HA GLU B 47 -5.944 0.452 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -5.039 2.401 -6.710 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -4.948 0.652 -6.774 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -7.452 0.554 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -7.496 2.305 -6.698 1.00 0.00 H new ATOM 1853 N ALA B 48 -3.805 2.852 -4.009 1.00 0.00 N ATOM 1854 CA ALA B 48 -2.515 3.177 -3.417 1.00 0.00 C ATOM 1855 C ALA B 48 -2.382 2.527 -2.048 1.00 0.00 C ATOM 1856 O ALA B 48 -1.297 2.078 -1.671 1.00 0.00 O ATOM 1857 CB ALA B 48 -2.337 4.686 -3.316 1.00 0.00 C ATOM 0 H ALA B 48 -4.405 3.661 -4.170 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.729 2.784 -4.062 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -1.367 4.909 -2.871 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -2.389 5.126 -4.312 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -3.127 5.105 -2.692 1.00 0.00 H new ATOM 1863 N GLU B 49 -3.496 2.472 -1.317 1.00 0.00 N ATOM 1864 CA GLU B 49 -3.552 1.754 -0.046 1.00 0.00 C ATOM 1865 C GLU B 49 -3.018 0.342 -0.224 1.00 0.00 C ATOM 1866 O GLU B 49 -2.194 -0.140 0.554 1.00 0.00 O ATOM 1867 CB GLU B 49 -4.993 1.642 0.456 1.00 0.00 C ATOM 1868 CG GLU B 49 -5.709 2.958 0.682 1.00 0.00 C ATOM 1869 CD GLU B 49 -7.155 2.739 1.085 1.00 0.00 C ATOM 1870 OE1 GLU B 49 -7.393 2.141 2.156 1.00 0.00 O ATOM 1871 OE2 GLU B 49 -8.060 3.140 0.329 1.00 0.00 O ATOM 0 H GLU B 49 -4.373 2.918 -1.586 1.00 0.00 H new ATOM 0 HA GLU B 49 -2.950 2.311 0.672 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -5.565 1.056 -0.263 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -4.991 1.084 1.392 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -5.195 3.525 1.458 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -5.670 3.556 -0.228 1.00 0.00 H new ATOM 1878 N LYS B 50 -3.497 -0.303 -1.276 1.00 0.00 N ATOM 1879 CA LYS B 50 -3.205 -1.705 -1.537 1.00 0.00 C ATOM 1880 C LYS B 50 -1.861 -1.874 -2.240 1.00 0.00 C ATOM 1881 O LYS B 50 -1.348 -2.985 -2.363 1.00 0.00 O ATOM 1882 CB LYS B 50 -4.336 -2.299 -2.376 1.00 0.00 C ATOM 1883 CG LYS B 50 -5.699 -2.121 -1.724 1.00 0.00 C ATOM 1884 CD LYS B 50 -6.839 -2.465 -2.668 1.00 0.00 C ATOM 1885 CE LYS B 50 -8.190 -2.254 -1.998 1.00 0.00 C ATOM 1886 NZ LYS B 50 -8.347 -0.865 -1.485 1.00 0.00 N ATOM 0 H LYS B 50 -4.100 0.131 -1.975 1.00 0.00 H new ATOM 0 HA LYS B 50 -3.136 -2.235 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -4.342 -1.827 -3.358 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -4.148 -3.361 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -5.761 -2.753 -0.838 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -5.807 -1.090 -1.388 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -6.773 -1.846 -3.563 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -6.748 -3.502 -2.990 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -8.986 -2.469 -2.711 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -8.300 -2.959 -1.174 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -9.326 -0.548 -1.635 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -8.129 -0.844 -0.468 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -7.696 -0.232 -1.992 1.00 0.00 H new ATOM 1900 N ALA B 51 -1.296 -0.766 -2.702 1.00 0.00 N ATOM 1901 CA ALA B 51 0.007 -0.784 -3.354 1.00 0.00 C ATOM 1902 C ALA B 51 1.127 -0.623 -2.332 1.00 0.00 C ATOM 1903 O ALA B 51 2.292 -0.915 -2.614 1.00 0.00 O ATOM 1904 CB ALA B 51 0.087 0.314 -4.405 1.00 0.00 C ATOM 0 H ALA B 51 -1.721 0.159 -2.637 1.00 0.00 H new ATOM 0 HA ALA B 51 0.130 -1.749 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA B 51 1.066 0.289 -4.884 1.00 0.00 H new ATOM 0 HB2 ALA B 51 -0.688 0.157 -5.155 1.00 0.00 H new ATOM 0 HB3 ALA B 51 -0.059 1.284 -3.930 1.00 0.00 H new ATOM 1910 N GLY B 52 0.770 -0.157 -1.143 1.00 0.00 N ATOM 1911 CA GLY B 52 1.750 0.016 -0.091 1.00 0.00 C ATOM 1912 C GLY B 52 2.053 1.473 0.193 1.00 0.00 C ATOM 1913 O GLY B 52 2.980 1.786 0.938 1.00 0.00 O ATOM 0 H GLY B 52 -0.183 0.105 -0.889 1.00 0.00 H new ATOM 0 HA2 GLY B 52 1.387 -0.459 0.820 1.00 0.00 H new ATOM 0 HA3 GLY B 52 2.671 -0.494 -0.371 1.00 0.00 H new ATOM 1917 N VAL B 53 1.276 2.368 -0.401 1.00 0.00 N ATOM 1918 CA VAL B 53 1.447 3.794 -0.165 1.00 0.00 C ATOM 1919 C VAL B 53 0.811 4.170 1.165 1.00 0.00 C ATOM 1920 O VAL B 53 -0.412 4.221 1.290 1.00 0.00 O ATOM 1921 CB VAL B 53 0.832 4.644 -1.298 1.00 0.00 C ATOM 1922 CG1 VAL B 53 1.059 6.128 -1.050 1.00 0.00 C ATOM 1923 CG2 VAL B 53 1.403 4.232 -2.647 1.00 0.00 C ATOM 0 H VAL B 53 0.523 2.133 -1.048 1.00 0.00 H new ATOM 0 HA VAL B 53 2.517 4.003 -0.140 1.00 0.00 H new ATOM 0 HB VAL B 53 -0.243 4.464 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL B 53 0.616 6.705 -1.862 1.00 0.00 H new ATOM 0 HG12 VAL B 53 0.594 6.414 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL B 53 2.129 6.330 -1.003 1.00 0.00 H new ATOM 0 HG21 VAL B 53 0.957 4.842 -3.432 1.00 0.00 H new ATOM 0 HG22 VAL B 53 2.483 4.376 -2.644 1.00 0.00 H new ATOM 0 HG23 VAL B 53 1.178 3.182 -2.832 1.00 0.00 H new ATOM 1933 N LYS B 54 1.648 4.409 2.160 1.00 0.00 N ATOM 1934 CA LYS B 54 1.173 4.657 3.511 1.00 0.00 C ATOM 1935 C LYS B 54 1.019 6.154 3.764 1.00 0.00 C ATOM 1936 O LYS B 54 0.196 6.578 4.578 1.00 0.00 O ATOM 1937 CB LYS B 54 2.141 4.024 4.514 1.00 0.00 C ATOM 1938 CG LYS B 54 1.576 3.873 5.915 1.00 0.00 C ATOM 1939 CD LYS B 54 2.402 2.888 6.728 1.00 0.00 C ATOM 1940 CE LYS B 54 1.820 2.670 8.114 1.00 0.00 C ATOM 1941 NZ LYS B 54 2.489 1.546 8.821 1.00 0.00 N ATOM 0 H LYS B 54 2.662 4.437 2.058 1.00 0.00 H new ATOM 0 HA LYS B 54 0.190 4.202 3.635 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.437 3.042 4.146 1.00 0.00 H new ATOM 0 HB3 LYS B 54 3.045 4.631 4.562 1.00 0.00 H new ATOM 0 HG2 LYS B 54 1.564 4.842 6.413 1.00 0.00 H new ATOM 0 HG3 LYS B 54 0.543 3.530 5.860 1.00 0.00 H new ATOM 0 HD2 LYS B 54 2.453 1.935 6.201 1.00 0.00 H new ATOM 0 HD3 LYS B 54 3.424 3.257 6.817 1.00 0.00 H new ATOM 0 HE2 LYS B 54 1.925 3.583 8.700 1.00 0.00 H new ATOM 0 HE3 LYS B 54 0.753 2.465 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.065 1.427 9.763 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 2.367 0.670 8.274 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 3.503 1.753 8.921 1.00 0.00 H new ATOM 1955 N SER B 55 1.823 6.955 3.081 1.00 0.00 N ATOM 1956 CA SER B 55 1.697 8.400 3.161 1.00 0.00 C ATOM 1957 C SER B 55 2.061 9.051 1.826 1.00 0.00 C ATOM 1958 O SER B 55 2.754 8.452 1.003 1.00 0.00 O ATOM 1959 CB SER B 55 2.589 8.939 4.284 1.00 0.00 C ATOM 1960 OG SER B 55 2.237 8.364 5.534 1.00 0.00 O ATOM 0 H SER B 55 2.568 6.628 2.466 1.00 0.00 H new ATOM 0 HA SER B 55 0.659 8.648 3.384 1.00 0.00 H new ATOM 0 HB2 SER B 55 3.633 8.721 4.060 1.00 0.00 H new ATOM 0 HB3 SER B 55 2.495 10.024 4.339 1.00 0.00 H new ATOM 0 HG SER B 55 2.821 8.722 6.235 1.00 0.00 H new ATOM 1966 N VAL B 56 1.571 10.268 1.615 1.00 0.00 N ATOM 1967 CA VAL B 56 1.914 11.046 0.435 1.00 0.00 C ATOM 1968 C VAL B 56 3.234 11.795 0.677 1.00 0.00 C ATOM 1969 O VAL B 56 3.770 11.721 1.790 1.00 0.00 O ATOM 1970 CB VAL B 56 0.770 11.998 0.016 1.00 0.00 C ATOM 1971 CG1 VAL B 56 -0.370 11.212 -0.610 1.00 0.00 C ATOM 1972 CG2 VAL B 56 0.265 12.811 1.194 1.00 0.00 C ATOM 0 H VAL B 56 0.930 10.738 2.254 1.00 0.00 H new ATOM 0 HA VAL B 56 2.054 10.364 -0.403 1.00 0.00 H new ATOM 0 HB VAL B 56 1.169 12.693 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -1.168 11.896 -0.900 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -0.007 10.684 -1.492 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -0.754 10.491 0.112 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -0.539 13.469 0.864 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -0.110 12.139 1.966 1.00 0.00 H new ATOM 0 HG23 VAL B 56 1.081 13.409 1.600 1.00 0.00 H new ATOM 1982 N PRO B 57 3.653 12.703 -0.239 1.00 0.00 N ATOM 1983 CA PRO B 57 5.020 12.824 -0.694 1.00 0.00 C ATOM 1984 C PRO B 57 5.930 11.636 -0.363 1.00 0.00 C ATOM 1985 O PRO B 57 6.673 11.619 0.626 1.00 0.00 O ATOM 1986 CB PRO B 57 5.374 14.145 -0.037 1.00 0.00 C ATOM 1987 CG PRO B 57 4.091 14.944 -0.209 1.00 0.00 C ATOM 1988 CD PRO B 57 3.004 13.943 -0.615 1.00 0.00 C ATOM 0 HA PRO B 57 5.153 12.811 -1.776 1.00 0.00 H new ATOM 0 HB2 PRO B 57 5.638 14.020 1.013 1.00 0.00 H new ATOM 0 HB3 PRO B 57 6.222 14.627 -0.523 1.00 0.00 H new ATOM 0 HG2 PRO B 57 3.824 15.452 0.718 1.00 0.00 H new ATOM 0 HG3 PRO B 57 4.213 15.714 -0.971 1.00 0.00 H new ATOM 0 HD2 PRO B 57 2.068 14.103 -0.079 1.00 0.00 H new ATOM 0 HD3 PRO B 57 2.773 13.987 -1.679 1.00 0.00 H new ATOM 1996 N ALA B 58 5.850 10.641 -1.248 1.00 0.00 N ATOM 1997 CA ALA B 58 6.622 9.409 -1.152 1.00 0.00 C ATOM 1998 C ALA B 58 6.709 8.749 -2.527 1.00 0.00 C ATOM 1999 O ALA B 58 6.103 9.232 -3.485 1.00 0.00 O ATOM 2000 CB ALA B 58 5.968 8.460 -0.166 1.00 0.00 C ATOM 0 H ALA B 58 5.237 10.673 -2.062 1.00 0.00 H new ATOM 0 HA ALA B 58 7.627 9.645 -0.801 1.00 0.00 H new ATOM 0 HB1 ALA B 58 6.553 7.542 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA B 58 5.922 8.931 0.816 1.00 0.00 H new ATOM 0 HB3 ALA B 58 4.959 8.224 -0.503 1.00 0.00 H new ATOM 2006 N LEU B 59 7.454 7.654 -2.631 1.00 0.00 N ATOM 2007 CA LEU B 59 7.541 6.915 -3.887 1.00 0.00 C ATOM 2008 C LEU B 59 7.803 5.434 -3.635 1.00 0.00 C ATOM 2009 O LEU B 59 8.553 5.066 -2.733 1.00 0.00 O ATOM 2010 CB LEU B 59 8.624 7.495 -4.812 1.00 0.00 C ATOM 2011 CG LEU B 59 10.084 7.189 -4.450 1.00 0.00 C ATOM 2012 CD1 LEU B 59 11.008 7.697 -5.546 1.00 0.00 C ATOM 2013 CD2 LEU B 59 10.469 7.810 -3.118 1.00 0.00 C ATOM 0 H LEU B 59 8.003 7.260 -1.867 1.00 0.00 H new ATOM 0 HA LEU B 59 6.578 7.019 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU B 59 8.441 7.127 -5.821 1.00 0.00 H new ATOM 0 HB3 LEU B 59 8.501 8.578 -4.840 1.00 0.00 H new ATOM 0 HG LEU B 59 10.187 6.108 -4.359 1.00 0.00 H new ATOM 0 HD11 LEU B 59 12.042 7.476 -5.282 1.00 0.00 H new ATOM 0 HD12 LEU B 59 10.761 7.205 -6.487 1.00 0.00 H new ATOM 0 HD13 LEU B 59 10.884 8.774 -5.656 1.00 0.00 H new ATOM 0 HD21 LEU B 59 11.509 7.573 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU B 59 10.347 8.892 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU B 59 9.828 7.411 -2.332 1.00 0.00 H new ATOM 2025 N VAL B 60 7.171 4.593 -4.436 1.00 0.00 N ATOM 2026 CA VAL B 60 7.333 3.154 -4.323 1.00 0.00 C ATOM 2027 C VAL B 60 8.396 2.672 -5.299 1.00 0.00 C ATOM 2028 O VAL B 60 8.145 2.547 -6.498 1.00 0.00 O ATOM 2029 CB VAL B 60 6.008 2.410 -4.599 1.00 0.00 C ATOM 2030 CG1 VAL B 60 6.154 0.920 -4.328 1.00 0.00 C ATOM 2031 CG2 VAL B 60 4.874 2.996 -3.771 1.00 0.00 C ATOM 0 H VAL B 60 6.535 4.886 -5.178 1.00 0.00 H new ATOM 0 HA VAL B 60 7.641 2.935 -3.301 1.00 0.00 H new ATOM 0 HB VAL B 60 5.764 2.542 -5.653 1.00 0.00 H new ATOM 0 HG11 VAL B 60 5.207 0.419 -4.530 1.00 0.00 H new ATOM 0 HG12 VAL B 60 6.928 0.507 -4.974 1.00 0.00 H new ATOM 0 HG13 VAL B 60 6.431 0.765 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL B 60 3.952 2.455 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL B 60 5.113 2.905 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL B 60 4.744 4.048 -4.025 1.00 0.00 H new ATOM 2041 N ILE B 61 9.587 2.428 -4.782 1.00 0.00 N ATOM 2042 CA ILE B 61 10.701 1.969 -5.597 1.00 0.00 C ATOM 2043 C ILE B 61 10.821 0.456 -5.517 1.00 0.00 C ATOM 2044 O ILE B 61 11.032 -0.091 -4.431 1.00 0.00 O ATOM 2045 CB ILE B 61 12.037 2.598 -5.138 1.00 0.00 C ATOM 2046 CG1 ILE B 61 11.959 4.125 -5.182 1.00 0.00 C ATOM 2047 CG2 ILE B 61 13.188 2.099 -6.006 1.00 0.00 C ATOM 2048 CD1 ILE B 61 13.206 4.815 -4.665 1.00 0.00 C ATOM 0 H ILE B 61 9.810 2.541 -3.793 1.00 0.00 H new ATOM 0 HA ILE B 61 10.501 2.277 -6.623 1.00 0.00 H new ATOM 0 HB ILE B 61 12.222 2.294 -4.108 1.00 0.00 H new ATOM 0 HG12 ILE B 61 11.779 4.441 -6.210 1.00 0.00 H new ATOM 0 HG13 ILE B 61 11.102 4.453 -4.593 1.00 0.00 H new ATOM 0 HG21 ILE B 61 14.121 2.552 -5.669 1.00 0.00 H new ATOM 0 HG22 ILE B 61 13.261 1.014 -5.925 1.00 0.00 H new ATOM 0 HG23 ILE B 61 13.006 2.374 -7.045 1.00 0.00 H new ATOM 0 HD11 ILE B 61 13.076 5.895 -4.727 1.00 0.00 H new ATOM 0 HD12 ILE B 61 13.376 4.529 -3.627 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.063 4.517 -5.268 1.00 0.00 H new ATOM 2060 N ASP B 62 10.621 -0.214 -6.656 1.00 0.00 N ATOM 2061 CA ASP B 62 10.816 -1.666 -6.775 1.00 0.00 C ATOM 2062 C ASP B 62 9.695 -2.442 -6.076 1.00 0.00 C ATOM 2063 O ASP B 62 9.485 -3.626 -6.339 1.00 0.00 O ATOM 2064 CB ASP B 62 12.188 -2.071 -6.206 1.00 0.00 C ATOM 2065 CG ASP B 62 12.536 -3.526 -6.451 1.00 0.00 C ATOM 2066 OD1 ASP B 62 13.108 -3.831 -7.521 1.00 0.00 O ATOM 2067 OD2 ASP B 62 12.254 -4.373 -5.576 1.00 0.00 O ATOM 0 H ASP B 62 10.320 0.233 -7.522 1.00 0.00 H new ATOM 0 HA ASP B 62 10.785 -1.921 -7.834 1.00 0.00 H new ATOM 0 HB2 ASP B 62 12.958 -1.441 -6.651 1.00 0.00 H new ATOM 0 HB3 ASP B 62 12.199 -1.878 -5.133 1.00 0.00 H new ATOM 2072 N GLY B 63 8.942 -1.751 -5.233 1.00 0.00 N ATOM 2073 CA GLY B 63 7.952 -2.407 -4.406 1.00 0.00 C ATOM 2074 C GLY B 63 8.013 -1.942 -2.961 1.00 0.00 C ATOM 2075 O GLY B 63 7.258 -2.419 -2.114 1.00 0.00 O ATOM 0 H GLY B 63 9.000 -0.740 -5.107 1.00 0.00 H new ATOM 0 HA2 GLY B 63 6.958 -2.211 -4.807 1.00 0.00 H new ATOM 0 HA3 GLY B 63 8.105 -3.486 -4.446 1.00 0.00 H new ATOM 2079 N ALA B 64 8.924 -1.019 -2.674 1.00 0.00 N ATOM 2080 CA ALA B 64 9.038 -0.442 -1.340 1.00 0.00 C ATOM 2081 C ALA B 64 8.747 1.054 -1.383 1.00 0.00 C ATOM 2082 O ALA B 64 9.382 1.795 -2.133 1.00 0.00 O ATOM 2083 CB ALA B 64 10.423 -0.702 -0.765 1.00 0.00 C ATOM 0 H ALA B 64 9.596 -0.654 -3.349 1.00 0.00 H new ATOM 0 HA ALA B 64 8.303 -0.918 -0.691 1.00 0.00 H new ATOM 0 HB1 ALA B 64 10.491 -0.265 0.231 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.595 -1.777 -0.702 1.00 0.00 H new ATOM 0 HB3 ALA B 64 11.176 -0.251 -1.412 1.00 0.00 H new ATOM 2089 N ALA B 65 7.782 1.494 -0.587 1.00 0.00 N ATOM 2090 CA ALA B 65 7.380 2.894 -0.583 1.00 0.00 C ATOM 2091 C ALA B 65 8.213 3.705 0.399 1.00 0.00 C ATOM 2092 O ALA B 65 8.030 3.611 1.611 1.00 0.00 O ATOM 2093 CB ALA B 65 5.901 3.027 -0.260 1.00 0.00 C ATOM 0 H ALA B 65 7.264 0.903 0.063 1.00 0.00 H new ATOM 0 HA ALA B 65 7.555 3.292 -1.582 1.00 0.00 H new ATOM 0 HB1 ALA B 65 5.621 4.081 -0.262 1.00 0.00 H new ATOM 0 HB2 ALA B 65 5.316 2.495 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA B 65 5.704 2.601 0.724 1.00 0.00 H new ATOM 2099 N PHE B 66 9.130 4.494 -0.132 1.00 0.00 N ATOM 2100 CA PHE B 66 9.957 5.360 0.685 1.00 0.00 C ATOM 2101 C PHE B 66 9.367 6.760 0.700 1.00 0.00 C ATOM 2102 O PHE B 66 9.005 7.300 -0.343 1.00 0.00 O ATOM 2103 CB PHE B 66 11.392 5.394 0.155 1.00 0.00 C ATOM 2104 CG PHE B 66 12.064 4.052 0.172 1.00 0.00 C ATOM 2105 CD1 PHE B 66 12.498 3.496 1.365 1.00 0.00 C ATOM 2106 CD2 PHE B 66 12.262 3.344 -1.004 1.00 0.00 C ATOM 2107 CE1 PHE B 66 13.115 2.261 1.386 1.00 0.00 C ATOM 2108 CE2 PHE B 66 12.880 2.109 -0.989 1.00 0.00 C ATOM 2109 CZ PHE B 66 13.307 1.567 0.208 1.00 0.00 C ATOM 0 H PHE B 66 9.320 4.552 -1.132 1.00 0.00 H new ATOM 0 HA PHE B 66 9.981 4.969 1.702 1.00 0.00 H new ATOM 0 HB2 PHE B 66 11.386 5.776 -0.866 1.00 0.00 H new ATOM 0 HB3 PHE B 66 11.976 6.093 0.754 1.00 0.00 H new ATOM 0 HD1 PHE B 66 12.352 4.035 2.289 1.00 0.00 H new ATOM 0 HD2 PHE B 66 11.929 3.763 -1.942 1.00 0.00 H new ATOM 0 HE1 PHE B 66 13.447 1.838 2.323 1.00 0.00 H new ATOM 0 HE2 PHE B 66 13.029 1.568 -1.912 1.00 0.00 H new ATOM 0 HZ PHE B 66 13.791 0.601 0.222 1.00 0.00 H new ATOM 2119 N HIS B 67 9.260 7.337 1.880 1.00 0.00 N ATOM 2120 CA HIS B 67 8.640 8.641 2.037 1.00 0.00 C ATOM 2121 C HIS B 67 9.711 9.723 2.068 1.00 0.00 C ATOM 2122 O HIS B 67 10.587 9.710 2.931 1.00 0.00 O ATOM 2123 CB HIS B 67 7.794 8.661 3.317 1.00 0.00 C ATOM 2124 CG HIS B 67 6.715 7.612 3.335 1.00 0.00 C ATOM 2125 ND1 HIS B 67 6.923 6.293 3.688 1.00 0.00 N ATOM 2126 CD2 HIS B 67 5.401 7.704 3.009 1.00 0.00 C ATOM 2127 CE1 HIS B 67 5.756 5.643 3.566 1.00 0.00 C ATOM 2128 NE2 HIS B 67 4.798 6.454 3.156 1.00 0.00 N ATOM 0 H HIS B 67 9.596 6.922 2.749 1.00 0.00 H new ATOM 0 HA HIS B 67 7.983 8.839 1.190 1.00 0.00 H new ATOM 0 HB2 HIS B 67 8.447 8.515 4.178 1.00 0.00 H new ATOM 0 HB3 HIS B 67 7.337 9.644 3.426 1.00 0.00 H new ATOM 0 HD1 HIS B 67 7.808 5.885 3.989 1.00 0.00 H new ATOM 0 HD2 HIS B 67 4.900 8.604 2.686 1.00 0.00 H new ATOM 0 HE1 HIS B 67 5.618 4.593 3.776 1.00 0.00 H new ATOM 2136 N ILE B 68 9.643 10.658 1.130 1.00 0.00 N ATOM 2137 CA ILE B 68 10.697 11.654 0.985 1.00 0.00 C ATOM 2138 C ILE B 68 10.205 13.021 1.422 1.00 0.00 C ATOM 2139 O ILE B 68 9.384 13.638 0.742 1.00 0.00 O ATOM 2140 CB ILE B 68 11.233 11.725 -0.462 1.00 0.00 C ATOM 2141 CG1 ILE B 68 11.907 10.403 -0.839 1.00 0.00 C ATOM 2142 CG2 ILE B 68 12.208 12.884 -0.615 1.00 0.00 C ATOM 2143 CD1 ILE B 68 12.550 10.414 -2.210 1.00 0.00 C ATOM 0 H ILE B 68 8.876 10.748 0.463 1.00 0.00 H new ATOM 0 HA ILE B 68 11.519 11.345 1.630 1.00 0.00 H new ATOM 0 HB ILE B 68 10.394 11.894 -1.137 1.00 0.00 H new ATOM 0 HG12 ILE B 68 12.667 10.168 -0.094 1.00 0.00 H new ATOM 0 HG13 ILE B 68 11.166 9.605 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE B 68 12.575 12.918 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE B 68 11.701 13.820 -0.380 1.00 0.00 H new ATOM 0 HG23 ILE B 68 13.048 12.746 0.066 1.00 0.00 H new ATOM 0 HD11 ILE B 68 13.006 9.444 -2.406 1.00 0.00 H new ATOM 0 HD12 ILE B 68 11.792 10.617 -2.966 1.00 0.00 H new ATOM 0 HD13 ILE B 68 13.316 11.189 -2.247 1.00 0.00 H new ATOM 2155 N ASN B 69 10.736 13.480 2.554 1.00 0.00 N ATOM 2156 CA ASN B 69 10.257 14.683 3.224 1.00 0.00 C ATOM 2157 C ASN B 69 8.823 14.470 3.664 1.00 0.00 C ATOM 2158 O ASN B 69 7.904 14.551 2.852 1.00 0.00 O ATOM 2159 CB ASN B 69 10.378 15.932 2.340 1.00 0.00 C ATOM 2160 CG ASN B 69 11.801 16.437 2.241 1.00 0.00 C ATOM 2161 OD1 ASN B 69 12.604 16.248 3.156 1.00 0.00 O ATOM 2162 ND2 ASN B 69 12.124 17.092 1.139 1.00 0.00 N ATOM 0 H ASN B 69 11.513 13.025 3.032 1.00 0.00 H new ATOM 0 HA ASN B 69 10.887 14.861 4.095 1.00 0.00 H new ATOM 0 HB2 ASN B 69 10.007 15.703 1.341 1.00 0.00 H new ATOM 0 HB3 ASN B 69 9.743 16.721 2.743 1.00 0.00 H new ATOM 0 HD21 ASN B 69 13.068 17.462 1.024 1.00 0.00 H new ATOM 0 HD22 ASN B 69 11.430 17.227 0.404 1.00 0.00 H new ATOM 2169 N PHE B 70 8.661 14.166 4.952 1.00 0.00 N ATOM 2170 CA PHE B 70 7.371 13.771 5.517 1.00 0.00 C ATOM 2171 C PHE B 70 6.242 14.653 5.006 1.00 0.00 C ATOM 2172 O PHE B 70 6.084 15.799 5.435 1.00 0.00 O ATOM 2173 CB PHE B 70 7.424 13.815 7.048 1.00 0.00 C ATOM 2174 CG PHE B 70 6.166 13.323 7.711 1.00 0.00 C ATOM 2175 CD1 PHE B 70 5.880 11.968 7.760 1.00 0.00 C ATOM 2176 CD2 PHE B 70 5.267 14.214 8.278 1.00 0.00 C ATOM 2177 CE1 PHE B 70 4.725 11.511 8.363 1.00 0.00 C ATOM 2178 CE2 PHE B 70 4.109 13.761 8.882 1.00 0.00 C ATOM 2179 CZ PHE B 70 3.838 12.408 8.925 1.00 0.00 C ATOM 0 H PHE B 70 9.420 14.187 5.633 1.00 0.00 H new ATOM 0 HA PHE B 70 7.168 12.749 5.195 1.00 0.00 H new ATOM 0 HB2 PHE B 70 8.265 13.212 7.391 1.00 0.00 H new ATOM 0 HB3 PHE B 70 7.615 14.840 7.367 1.00 0.00 H new ATOM 0 HD1 PHE B 70 6.569 11.261 7.321 1.00 0.00 H new ATOM 0 HD2 PHE B 70 5.474 15.274 8.247 1.00 0.00 H new ATOM 0 HE1 PHE B 70 4.515 10.452 8.395 1.00 0.00 H new ATOM 0 HE2 PHE B 70 3.417 14.465 9.320 1.00 0.00 H new ATOM 0 HZ PHE B 70 2.934 12.052 9.397 1.00 0.00 H new ATOM 2189 N GLY B 71 5.488 14.116 4.059 1.00 0.00 N ATOM 2190 CA GLY B 71 4.376 14.835 3.509 1.00 0.00 C ATOM 2191 C GLY B 71 3.152 14.694 4.371 1.00 0.00 C ATOM 2192 O GLY B 71 3.019 15.375 5.387 1.00 0.00 O ATOM 0 H GLY B 71 5.634 13.187 3.664 1.00 0.00 H new ATOM 0 HA2 GLY B 71 4.635 15.889 3.411 1.00 0.00 H new ATOM 0 HA3 GLY B 71 4.162 14.465 2.506 1.00 0.00 H new ATOM 2196 N ALA B 72 2.251 13.814 3.977 1.00 0.00 N ATOM 2197 CA ALA B 72 1.019 13.636 4.740 1.00 0.00 C ATOM 2198 C ALA B 72 0.641 12.173 4.829 1.00 0.00 C ATOM 2199 O ALA B 72 0.955 11.404 3.936 1.00 0.00 O ATOM 2200 CB ALA B 72 -0.116 14.451 4.135 1.00 0.00 C ATOM 0 H ALA B 72 2.340 13.220 3.152 1.00 0.00 H new ATOM 0 HA ALA B 72 1.197 14.000 5.752 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -1.023 14.302 4.721 1.00 0.00 H new ATOM 0 HB2 ALA B 72 0.151 15.508 4.142 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -0.289 14.127 3.109 1.00 0.00 H new ATOM 2206 N GLY B 73 -0.044 11.790 5.892 1.00 0.00 N ATOM 2207 CA GLY B 73 -0.548 10.437 5.975 1.00 0.00 C ATOM 2208 C GLY B 73 -1.657 10.223 4.970 1.00 0.00 C ATOM 2209 O GLY B 73 -2.396 11.160 4.658 1.00 0.00 O ATOM 0 H GLY B 73 -0.259 12.385 6.692 1.00 0.00 H new ATOM 0 HA2 GLY B 73 0.260 9.729 5.790 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -0.918 10.242 6.981 1.00 0.00 H new ATOM 2213 N ILE B 74 -1.782 9.010 4.448 1.00 0.00 N ATOM 2214 CA ILE B 74 -2.782 8.739 3.425 1.00 0.00 C ATOM 2215 C ILE B 74 -4.190 9.024 3.956 1.00 0.00 C ATOM 2216 O ILE B 74 -5.050 9.506 3.223 1.00 0.00 O ATOM 2217 CB ILE B 74 -2.690 7.288 2.888 1.00 0.00 C ATOM 2218 CG1 ILE B 74 -3.640 7.100 1.700 1.00 0.00 C ATOM 2219 CG2 ILE B 74 -2.995 6.275 3.986 1.00 0.00 C ATOM 2220 CD1 ILE B 74 -3.506 5.759 1.012 1.00 0.00 C ATOM 0 H ILE B 74 -1.211 8.207 4.712 1.00 0.00 H new ATOM 0 HA ILE B 74 -2.576 9.409 2.590 1.00 0.00 H new ATOM 0 HB ILE B 74 -1.669 7.115 2.549 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -4.667 7.218 2.047 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -3.456 7.890 0.972 1.00 0.00 H new ATOM 0 HG21 ILE B 74 -2.923 5.266 3.580 1.00 0.00 H new ATOM 0 HG22 ILE B 74 -2.277 6.392 4.798 1.00 0.00 H new ATOM 0 HG23 ILE B 74 -4.003 6.442 4.366 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -4.211 5.703 0.183 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -2.490 5.644 0.633 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -3.720 4.962 1.724 1.00 0.00 H new ATOM 2232 N ASP B 75 -4.393 8.787 5.252 1.00 0.00 N ATOM 2233 CA ASP B 75 -5.701 8.962 5.879 1.00 0.00 C ATOM 2234 C ASP B 75 -6.003 10.424 6.190 1.00 0.00 C ATOM 2235 O ASP B 75 -7.047 10.741 6.758 1.00 0.00 O ATOM 2236 CB ASP B 75 -5.804 8.134 7.161 1.00 0.00 C ATOM 2237 CG ASP B 75 -6.121 6.679 6.895 1.00 0.00 C ATOM 2238 OD1 ASP B 75 -5.182 5.892 6.686 1.00 0.00 O ATOM 2239 OD2 ASP B 75 -7.318 6.314 6.918 1.00 0.00 O ATOM 0 H ASP B 75 -3.663 8.471 5.890 1.00 0.00 H new ATOM 0 HA ASP B 75 -6.441 8.612 5.159 1.00 0.00 H new ATOM 0 HB2 ASP B 75 -4.864 8.202 7.709 1.00 0.00 H new ATOM 0 HB3 ASP B 75 -6.577 8.559 7.801 1.00 0.00 H new ATOM 2244 N ASP B 76 -5.088 11.317 5.836 1.00 0.00 N ATOM 2245 CA ASP B 76 -5.345 12.747 5.973 1.00 0.00 C ATOM 2246 C ASP B 76 -6.130 13.237 4.770 1.00 0.00 C ATOM 2247 O ASP B 76 -6.819 14.256 4.830 1.00 0.00 O ATOM 2248 CB ASP B 76 -4.044 13.545 6.126 1.00 0.00 C ATOM 2249 CG ASP B 76 -3.360 13.284 7.452 1.00 0.00 C ATOM 2250 OD1 ASP B 76 -3.966 13.569 8.507 1.00 0.00 O ATOM 2251 OD2 ASP B 76 -2.221 12.775 7.449 1.00 0.00 O ATOM 0 H ASP B 76 -4.171 11.082 5.456 1.00 0.00 H new ATOM 0 HA ASP B 76 -5.929 12.905 6.880 1.00 0.00 H new ATOM 0 HB2 ASP B 76 -3.365 13.288 5.313 1.00 0.00 H new ATOM 0 HB3 ASP B 76 -4.261 14.609 6.035 1.00 0.00 H new ATOM 2256 N LEU B 77 -6.018 12.494 3.677 1.00 0.00 N ATOM 2257 CA LEU B 77 -6.804 12.755 2.481 1.00 0.00 C ATOM 2258 C LEU B 77 -7.919 11.717 2.378 1.00 0.00 C ATOM 2259 O LEU B 77 -9.057 12.029 2.031 1.00 0.00 O ATOM 2260 CB LEU B 77 -5.915 12.702 1.235 1.00 0.00 C ATOM 2261 CG LEU B 77 -4.693 13.627 1.264 1.00 0.00 C ATOM 2262 CD1 LEU B 77 -3.880 13.477 -0.013 1.00 0.00 C ATOM 2263 CD2 LEU B 77 -5.117 15.076 1.458 1.00 0.00 C ATOM 0 H LEU B 77 -5.384 11.699 3.595 1.00 0.00 H new ATOM 0 HA LEU B 77 -7.240 13.752 2.547 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -5.571 11.677 1.097 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -6.521 12.955 0.365 1.00 0.00 H new ATOM 0 HG LEU B 77 -4.067 13.338 2.109 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -3.017 14.141 0.025 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -3.541 12.446 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -4.500 13.737 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -4.234 15.714 1.475 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -5.767 15.378 0.637 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -5.655 15.175 2.401 1.00 0.00 H new ATOM 2275 N LYS B 78 -7.561 10.479 2.699 1.00 0.00 N ATOM 2276 CA LYS B 78 -8.506 9.373 2.757 1.00 0.00 C ATOM 2277 C LYS B 78 -9.570 9.642 3.820 1.00 0.00 C ATOM 2278 O LYS B 78 -9.252 10.013 4.950 1.00 0.00 O ATOM 2279 CB LYS B 78 -7.732 8.085 3.066 1.00 0.00 C ATOM 2280 CG LYS B 78 -8.586 6.866 3.364 1.00 0.00 C ATOM 2281 CD LYS B 78 -7.710 5.667 3.688 1.00 0.00 C ATOM 2282 CE LYS B 78 -8.527 4.466 4.131 1.00 0.00 C ATOM 2283 NZ LYS B 78 -9.330 4.752 5.348 1.00 0.00 N ATOM 0 H LYS B 78 -6.603 10.214 2.927 1.00 0.00 H new ATOM 0 HA LYS B 78 -9.016 9.266 1.800 1.00 0.00 H new ATOM 0 HB2 LYS B 78 -7.087 7.857 2.217 1.00 0.00 H new ATOM 0 HB3 LYS B 78 -7.081 8.269 3.921 1.00 0.00 H new ATOM 0 HG2 LYS B 78 -9.249 7.076 4.203 1.00 0.00 H new ATOM 0 HG3 LYS B 78 -9.219 6.640 2.506 1.00 0.00 H new ATOM 0 HD2 LYS B 78 -7.121 5.401 2.810 1.00 0.00 H new ATOM 0 HD3 LYS B 78 -7.005 5.936 4.475 1.00 0.00 H new ATOM 0 HE2 LYS B 78 -9.192 4.162 3.322 1.00 0.00 H new ATOM 0 HE3 LYS B 78 -7.860 3.627 4.327 1.00 0.00 H new ATOM 0 HZ1 LYS B 78 -9.624 3.857 5.789 1.00 0.00 H new ATOM 0 HZ2 LYS B 78 -8.756 5.298 6.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 78 -10.173 5.302 5.086 1.00 0.00 H new